data_16486_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16486
_Entry.PDB_ID 2KO1
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 THR HA H 2 3.782 4.782 -1.000 1
1 6 . 1 1 1 A 2 2 THR C C 2 171.502 174.129 -2.627 1
1 7 . 1 1 1 A 2 2 THR CA C 2 61.906 62.045 -0.139 1
1 8 . 1 1 1 A 2 2 THR CB C 2 69.449 70.443 -0.994 1
1 10 . 1 1 1 A 3 3 ASP H H 3 8.636 8.856 -0.220 1
1 11 . 1 1 1 A 3 3 ASP HA H 3 4.803 5.726 -0.923 1
1 14 . 1 1 1 A 3 3 ASP C C 3 175.330 174.388 0.942 1
1 15 . 1 1 1 A 3 3 ASP CA C 3 54.454 54.354 0.100 1
1 16 . 1 1 1 A 3 3 ASP CB C 3 41.426 43.834 -2.408 1
1 17 . 1 1 1 A 3 3 ASP N N 3 125.850 123.411 2.439 1
1 18 . 1 1 1 A 4 4 PHE H H 4 8.608 8.680 -0.072 1
1 19 . 1 1 1 A 4 4 PHE HA H 4 5.042 5.601 -0.559 1
1 27 . 1 1 1 A 4 4 PHE C C 4 172.986 172.690 0.296 1
1 28 . 1 1 1 A 4 4 PHE CA C 4 55.505 55.242 0.263 1
1 29 . 1 1 1 A 4 4 PHE CB C 4 41.288 42.393 -1.105 1
1 33 . 1 1 1 A 4 4 PHE N N 4 117.566 121.332 -3.766 1
1 34 . 1 1 1 A 5 5 LEU H H 5 8.498 8.380 0.118 1
1 35 . 1 1 1 A 5 5 LEU HA H 5 4.532 3.870 0.662 1
1 45 . 1 1 1 A 5 5 LEU C C 5 175.330 174.500 0.830 1
1 46 . 1 1 1 A 5 5 LEU CA C 5 54.222 53.629 0.593 1
1 47 . 1 1 1 A 5 5 LEU CB C 5 42.932 42.284 0.648 1
1 51 . 1 1 1 A 5 5 LEU N N 5 123.329 121.920 1.409 1
1 52 . 1 1 1 A 6 6 ALA H H 6 9.325 8.855 0.470 1
1 53 . 1 1 1 A 6 6 ALA HA H 6 4.769 5.150 -0.381 1
1 57 . 1 1 1 A 6 6 ALA C C 6 174.744 177.051 -2.307 1
1 58 . 1 1 1 A 6 6 ALA CA C 6 50.500 50.514 -0.014 1
1 59 . 1 1 1 A 6 6 ALA CB C 6 23.746 20.497 3.249 1
1 60 . 1 1 1 A 6 6 ALA N N 6 129.530 130.586 -1.056 1
1 61 . 1 1 1 A 7 7 GLY H H 7 8.639 8.942 -0.303 1
1 62 . 1 1 1 A 7 7 GLY HA2 H 7 5.721 4.198 1.523 1
1 63 . 1 1 1 A 7 7 GLY HA3 H 7 3.508 4.204 -0.696 1
1 64 . 1 1 1 A 7 7 GLY C C 7 173.221 172.127 1.094 1
1 65 . 1 1 1 A 7 7 GLY CA C 7 45.351 43.991 1.360 1
1 66 . 1 1 1 A 7 7 GLY N N 7 106.888 111.414 -4.526 1
1 67 . 1 1 1 A 8 8 ILE H H 8 9.356 9.018 0.338 1
1 68 . 1 1 1 A 8 8 ILE HA H 8 4.957 5.004 -0.047 1
1 78 . 1 1 1 A 8 8 ILE C C 8 172.986 173.834 -0.848 1
1 79 . 1 1 1 A 8 8 ILE CA C 8 59.551 59.834 -0.283 1
1 80 . 1 1 1 A 8 8 ILE CB C 8 43.405 41.818 1.587 1
1 84 . 1 1 1 A 8 8 ILE N N 8 122.820 123.751 -0.931 1
1 85 . 1 1 1 A 9 9 ARG H H 9 9.364 9.507 -0.143 1
1 86 . 1 1 1 A 9 9 ARG HA H 9 5.609 5.016 0.593 1
1 94 . 1 1 1 A 9 9 ARG C C 9 175.096 174.736 0.360 1
1 95 . 1 1 1 A 9 9 ARG CA C 9 54.192 54.530 -0.338 1
1 96 . 1 1 1 A 9 9 ARG CB C 9 33.400 33.011 0.389 1
1 99 . 1 1 1 A 9 9 ARG N N 9 126.323 128.106 -1.783 1
1 101 . 1 1 1 A 10 10 ILE H H 10 9.479 9.206 0.273 1
1 102 . 1 1 1 A 10 10 ILE HA H 10 5.089 4.893 0.196 1
1 112 . 1 1 1 A 10 10 ILE C C 10 174.275 174.451 -0.176 1
1 113 . 1 1 1 A 10 10 ILE CA C 10 60.127 59.744 0.383 1
1 114 . 1 1 1 A 10 10 ILE CB C 10 42.651 39.458 3.193 1
1 118 . 1 1 1 A 10 10 ILE N N 10 128.583 127.965 0.618 1
1 119 . 1 1 1 A 11 11 VAL H H 11 8.581 8.728 -0.147 1
1 120 . 1 1 1 A 11 11 VAL HA H 11 4.793 4.705 0.088 1
1 128 . 1 1 1 A 11 11 VAL C C 11 175.827 174.780 1.047 1
1 129 . 1 1 1 A 11 11 VAL CA C 11 60.201 60.387 -0.186 1
1 130 . 1 1 1 A 11 11 VAL CB C 11 34.522 33.460 1.062 1
1 133 . 1 1 1 A 11 11 VAL N N 11 126.323 128.231 -1.908 1
1 134 . 1 1 1 A 12 12 GLY H H 12 7.713 7.642 0.071 1
1 135 . 1 1 1 A 12 12 GLY HA2 H 12 3.434 3.241 0.193 1
1 136 . 1 1 1 A 12 12 GLY HA3 H 12 3.563 3.828 -0.265 1
1 137 . 1 1 1 A 12 12 GLY C C 12 170.332 172.624 -2.292 1
1 138 . 1 1 1 A 12 12 GLY CA C 12 45.842 43.556 2.286 1
1 139 . 1 1 1 A 12 12 GLY N N 12 113.216 113.921 -0.705 1
1 140 . 1 1 1 A 13 13 GLU H H 13 8.180 8.381 -0.201 1
1 141 . 1 1 1 A 13 13 GLU HA H 13 4.387 4.453 -0.066 1
1 146 . 1 1 1 A 13 13 GLU C C 13 175.409 175.683 -0.274 1
1 147 . 1 1 1 A 13 13 GLU CA C 13 55.865 56.910 -1.045 1
1 148 . 1 1 1 A 13 13 GLU CB C 13 31.102 30.237 0.865 1
1 150 . 1 1 1 A 13 13 GLU N N 13 119.035 117.899 1.136 1
1 151 . 1 1 1 A 14 14 ASP H H 14 8.095 8.951 -0.856 1
1 152 . 1 1 1 A 14 14 ASP HA H 14 4.888 4.860 0.028 1
1 155 . 1 1 1 A 14 14 ASP C C 14 174.991 175.032 -0.041 1
1 156 . 1 1 1 A 14 14 ASP CA C 14 52.473 53.694 -1.221 1
1 157 . 1 1 1 A 14 14 ASP CB C 14 40.364 40.225 0.139 1
1 158 . 1 1 1 A 14 14 ASP N N 14 122.877 124.351 -1.474 1
1 159 . 1 1 1 A 15 15 LYS H H 15 7.345 8.257 -0.912 1
1 160 . 1 1 1 A 15 15 LYS HA H 15 4.550 4.736 -0.186 1
1 169 . 1 1 1 A 15 15 LYS C C 15 176.385 176.309 0.076 1
1 170 . 1 1 1 A 15 15 LYS CA C 15 54.554 54.442 0.112 1
1 171 . 1 1 1 A 15 15 LYS CB C 15 35.403 34.780 0.623 1
1 175 . 1 1 1 A 15 15 LYS N N 15 120.221 125.685 -5.464 1
1 176 . 1 1 1 A 16 16 ASN H H 16 9.025 8.730 0.295 1
1 177 . 1 1 1 A 16 16 ASN HA H 16 4.386 4.681 -0.295 1
1 182 . 1 1 1 A 16 16 ASN C C 16 175.916 176.100 -0.184 1
1 183 . 1 1 1 A 16 16 ASN CA C 16 54.966 53.570 1.396 1
1 184 . 1 1 1 A 16 16 ASN CB C 16 37.810 37.290 0.520 1
1 185 . 1 1 1 A 16 16 ASN N N 16 119.785 120.052 -0.267 1
1 187 . 1 1 1 A 17 17 GLY H H 17 8.780 8.722 0.058 1
1 188 . 1 1 1 A 17 17 GLY HA2 H 17 4.125 3.880 0.245 1
1 189 . 1 1 1 A 17 17 GLY HA3 H 17 3.970 3.899 0.071 1
1 190 . 1 1 1 A 17 17 GLY C C 17 176.151 175.924 0.227 1
1 191 . 1 1 1 A 17 17 GLY CA C 17 45.996 45.390 0.606 1
1 192 . 1 1 1 A 17 17 GLY N N 17 110.504 110.713 -0.209 1
1 193 . 1 1 1 A 18 18 MET H H 18 7.989 8.046 -0.057 1
1 194 . 1 1 1 A 18 18 MET HA H 18 4.359 4.144 0.215 1
1 202 . 1 1 1 A 18 18 MET C C 18 178.589 178.278 0.311 1
1 203 . 1 1 1 A 18 18 MET CA C 18 57.405 58.648 -1.243 1
1 204 . 1 1 1 A 18 18 MET CB C 18 31.847 32.485 -0.638 1
1 207 . 1 1 1 A 18 18 MET N N 18 121.860 120.528 1.332 1
1 208 . 1 1 1 A 19 19 THR H H 19 8.807 8.078 0.729 1
1 209 . 1 1 1 A 19 19 THR HA H 19 3.233 3.372 -0.139 1
1 215 . 1 1 1 A 19 19 THR C C 19 177.909 177.082 0.827 1
1 216 . 1 1 1 A 19 19 THR CA C 19 65.516 65.608 -0.092 1
1 217 . 1 1 1 A 19 19 THR CB C 19 67.000 67.992 -0.992 1
1 219 . 1 1 1 A 19 19 THR N N 19 111.351 112.341 -0.990 1
1 220 . 1 1 1 A 20 20 ASN H H 20 7.936 7.597 0.339 1
1 221 . 1 1 1 A 20 20 ASN HA H 20 4.083 4.436 -0.353 1
1 226 . 1 1 1 A 20 20 ASN C C 20 176.854 177.655 -0.801 1
1 227 . 1 1 1 A 20 20 ASN CA C 20 57.669 55.781 1.888 1
1 228 . 1 1 1 A 20 20 ASN CB C 20 36.625 38.345 -1.720 1
1 229 . 1 1 1 A 20 20 ASN N N 20 121.577 120.642 0.935 1
1 231 . 1 1 1 A 21 21 GLN H H 21 8.433 8.300 0.133 1
1 232 . 1 1 1 A 21 21 GLN HA H 21 4.046 4.031 0.015 1
1 239 . 1 1 1 A 21 21 GLN C C 21 179.550 178.323 1.227 1
1 240 . 1 1 1 A 21 21 GLN CA C 21 59.187 58.603 0.584 1
1 241 . 1 1 1 A 21 21 GLN CB C 21 28.512 27.946 0.566 1
1 243 . 1 1 1 A 21 21 GLN N N 21 120.250 117.228 3.022 1
1 245 . 1 1 1 A 22 22 ILE H H 22 8.779 8.159 0.620 1
1 246 . 1 1 1 A 22 22 ILE HA H 22 3.823 3.680 0.143 1
1 256 . 1 1 1 A 22 22 ILE C C 22 176.854 177.875 -1.021 1
1 257 . 1 1 1 A 22 22 ILE CA C 22 61.611 65.555 -3.944 1
1 258 . 1 1 1 A 22 22 ILE CB C 22 36.935 38.129 -1.194 1
1 262 . 1 1 1 A 22 22 ILE N N 22 119.497 121.244 -1.747 1
1 263 . 1 1 1 A 23 23 THR H H 23 7.478 8.082 -0.604 1
1 264 . 1 1 1 A 23 23 THR HA H 23 3.523 3.922 -0.399 1
1 270 . 1 1 1 A 23 23 THR C C 23 176.502 176.915 -0.413 1
1 271 . 1 1 1 A 23 23 THR CA C 23 67.006 66.360 0.646 1
1 272 . 1 1 1 A 23 23 THR CB C 23 67.305 68.404 -1.099 1
1 274 . 1 1 1 A 23 23 THR N N 23 115.702 116.103 -0.401 1
1 275 . 1 1 1 A 24 24 GLY H H 24 8.011 8.172 -0.161 1
1 276 . 1 1 1 A 24 24 GLY HA2 H 24 3.880 3.583 0.297 1
1 277 . 1 1 1 A 24 24 GLY HA3 H 24 3.672 3.596 0.076 1
1 278 . 1 1 1 A 24 24 GLY C C 24 176.385 175.958 0.427 1
1 279 . 1 1 1 A 24 24 GLY CA C 24 47.163 47.125 0.038 1
1 280 . 1 1 1 A 24 24 GLY N N 24 110.691 107.879 2.812 1
1 281 . 1 1 1 A 25 25 VAL H H 25 7.898 8.078 -0.180 1
1 282 . 1 1 1 A 25 25 VAL HA H 25 3.473 3.692 -0.219 1
1 290 . 1 1 1 A 25 25 VAL C C 25 178.286 177.529 0.757 1
1 291 . 1 1 1 A 25 25 VAL CA C 25 66.432 65.868 0.564 1
1 292 . 1 1 1 A 25 25 VAL CB C 25 31.925 31.812 0.113 1
1 295 . 1 1 1 A 25 25 VAL N N 25 123.276 121.414 1.862 1
1 296 . 1 1 1 A 26 26 ILE H H 26 7.646 7.886 -0.240 1
1 297 . 1 1 1 A 26 26 ILE HA H 26 2.698 1.989 0.709 1
1 307 . 1 1 1 A 26 26 ILE C C 26 177.440 177.718 -0.278 1
1 308 . 1 1 1 A 26 26 ILE CA C 26 64.163 64.754 -0.591 1
1 309 . 1 1 1 A 26 26 ILE CB C 26 37.876 37.342 0.534 1
1 313 . 1 1 1 A 26 26 ILE N N 26 116.606 119.898 -3.292 1
1 314 . 1 1 1 A 27 27 SER H H 27 7.783 7.913 -0.130 1
1 315 . 1 1 1 A 27 27 SER HA H 27 3.908 4.093 -0.185 1
1 319 . 1 1 1 A 27 27 SER C C 27 175.330 175.769 -0.439 1
1 320 . 1 1 1 A 27 27 SER CA C 27 61.465 61.037 0.428 1
1 321 . 1 1 1 A 27 27 SER CB C 27 63.388 62.750 0.638 1
1 322 . 1 1 1 A 27 27 SER N N 27 112.932 115.320 -2.388 1
1 323 . 1 1 1 A 28 28 LYS H H 28 7.008 7.553 -0.545 1
1 324 . 1 1 1 A 28 28 LYS HA H 28 4.234 4.281 -0.047 1
1 333 . 1 1 1 A 28 28 LYS C C 28 177.323 177.064 0.259 1
1 334 . 1 1 1 A 28 28 LYS CA C 28 56.161 56.574 -0.413 1
1 335 . 1 1 1 A 28 28 LYS CB C 28 32.742 32.579 0.163 1
1 339 . 1 1 1 A 28 28 LYS N N 28 118.978 119.193 -0.215 1
1 340 . 1 1 1 A 29 29 PHE H H 29 7.691 7.346 0.345 1
1 341 . 1 1 1 A 29 29 PHE HA H 29 4.576 4.476 0.100 1
1 349 . 1 1 1 A 29 29 PHE C C 29 175.841 175.718 0.123 1
1 350 . 1 1 1 A 29 29 PHE CA C 29 56.366 58.234 -1.868 1
1 351 . 1 1 1 A 29 29 PHE CB C 29 38.723 40.101 -1.378 1
1 355 . 1 1 1 A 29 29 PHE N N 29 120.755 119.652 1.103 1
1 356 . 1 1 1 A 30 30 ASP H H 30 8.388 8.862 -0.474 1
1 357 . 1 1 1 A 30 30 ASP HA H 30 4.650 4.849 -0.199 1
1 360 . 1 1 1 A 30 30 ASP C C 30 175.096 175.113 -0.017 1
1 361 . 1 1 1 A 30 30 ASP CA C 30 53.331 54.684 -1.353 1
1 362 . 1 1 1 A 30 30 ASP CB C 30 38.691 41.530 -2.839 1
1 363 . 1 1 1 A 30 30 ASP N N 30 122.230 120.338 1.892 1
1 364 . 1 1 1 A 31 31 THR H H 31 7.663 7.531 0.132 1
1 365 . 1 1 1 A 31 31 THR HA H 31 4.558 4.936 -0.378 1
1 370 . 1 1 1 A 31 31 THR C C 31 173.297 172.488 0.809 1
1 371 . 1 1 1 A 31 31 THR CA C 31 59.333 59.848 -0.515 1
1 372 . 1 1 1 A 31 31 THR CB C 31 70.319 71.800 -1.481 1
1 374 . 1 1 1 A 31 31 THR N N 31 112.538 114.959 -2.421 1
1 375 . 1 1 1 A 32 32 ASN H H 32 8.308 8.759 -0.451 1
1 376 . 1 1 1 A 32 32 ASN HA H 32 4.910 5.044 -0.134 1
1 381 . 1 1 1 A 32 32 ASN C C 32 175.447 175.199 0.248 1
1 382 . 1 1 1 A 32 32 ASN CA C 32 52.732 52.515 0.217 1
1 383 . 1 1 1 A 32 32 ASN CB C 32 39.337 40.143 -0.806 1
1 384 . 1 1 1 A 32 32 ASN N N 32 121.973 124.252 -2.279 1
1 386 . 1 1 1 A 33 33 ILE H H 33 8.320 8.866 -0.546 1
1 387 . 1 1 1 A 33 33 ILE HA H 33 3.846 4.100 -0.254 1
1 397 . 1 1 1 A 33 33 ILE C C 33 175.230 175.903 -0.673 1
1 398 . 1 1 1 A 33 33 ILE CA C 33 63.300 62.140 1.160 1
1 399 . 1 1 1 A 33 33 ILE CB C 33 39.167 37.016 2.151 1
1 403 . 1 1 1 A 33 33 ILE N N 33 125.984 126.635 -0.651 1
1 404 . 1 1 1 A 34 34 ARG H H 34 8.858 9.064 -0.206 1
1 405 . 1 1 1 A 34 34 ARG HA H 34 4.538 4.472 0.066 1
1 413 . 1 1 1 A 34 34 ARG C C 34 175.565 176.526 -0.961 1
1 414 . 1 1 1 A 34 34 ARG CA C 34 54.900 57.443 -2.543 1
1 415 . 1 1 1 A 34 34 ARG CB C 34 30.275 31.173 -0.898 1
1 418 . 1 1 1 A 34 34 ARG N N 34 126.537 128.482 -1.945 1
1 420 . 1 1 1 A 35 35 THR H H 35 7.698 7.602 0.096 1
1 421 . 1 1 1 A 35 35 THR HA H 35 5.311 4.984 0.327 1
1 426 . 1 1 1 A 35 35 THR C C 35 173.807 172.189 1.618 1
1 427 . 1 1 1 A 35 35 THR CA C 35 61.040 61.131 -0.091 1
1 428 . 1 1 1 A 35 35 THR CB C 35 74.055 72.492 1.563 1
1 430 . 1 1 1 A 35 35 THR N N 35 111.895 111.715 0.180 1
1 431 . 1 1 1 A 36 36 ILE H H 36 8.907 9.187 -0.280 1
1 432 . 1 1 1 A 36 36 ILE HA H 36 4.753 5.244 -0.491 1
1 442 . 1 1 1 A 36 36 ILE C C 36 174.275 173.526 0.749 1
1 443 . 1 1 1 A 36 36 ILE CA C 36 61.400 59.627 1.773 1
1 444 . 1 1 1 A 36 36 ILE CB C 36 42.569 41.653 0.916 1
1 448 . 1 1 1 A 36 36 ILE N N 36 123.257 128.137 -4.880 1
1 449 . 1 1 1 A 37 37 VAL H H 37 8.933 9.080 -0.147 1
1 450 . 1 1 1 A 37 37 VAL HA H 37 4.903 4.666 0.237 1
1 458 . 1 1 1 A 37 37 VAL C C 37 174.684 174.020 0.664 1
1 459 . 1 1 1 A 37 37 VAL CA C 37 62.100 61.681 0.419 1
1 460 . 1 1 1 A 37 37 VAL CB C 37 34.186 33.891 0.295 1
1 463 . 1 1 1 A 37 37 VAL N N 37 126.323 128.823 -2.500 1
1 464 . 1 1 1 A 38 38 LEU H H 38 9.751 9.117 0.634 1
1 465 . 1 1 1 A 38 38 LEU HA H 38 5.636 5.385 0.251 1
1 475 . 1 1 1 A 38 38 LEU C C 38 174.510 175.134 -0.624 1
1 476 . 1 1 1 A 38 38 LEU CA C 38 53.810 53.676 0.134 1
1 477 . 1 1 1 A 38 38 LEU CB C 38 45.655 44.765 0.890 1
1 481 . 1 1 1 A 38 38 LEU N N 38 133.332 130.042 3.290 1
1 482 . 1 1 1 A 39 39 ASN H H 39 8.952 8.878 0.074 1
1 483 . 1 1 1 A 39 39 ASN HA H 39 5.450 5.393 0.057 1
1 488 . 1 1 1 A 39 39 ASN C C 39 172.869 173.551 -0.682 1
1 489 . 1 1 1 A 39 39 ASN CA C 39 53.137 51.596 1.541 1
1 490 . 1 1 1 A 39 39 ASN CB C 39 43.287 42.843 0.444 1
1 491 . 1 1 1 A 39 39 ASN N N 39 123.262 123.251 0.011 1
1 493 . 1 1 1 A 40 40 ALA H H 40 8.467 8.892 -0.425 1
1 494 . 1 1 1 A 40 40 ALA HA H 40 5.345 5.173 0.172 1
1 498 . 1 1 1 A 40 40 ALA C C 40 175.447 176.887 -1.440 1
1 499 . 1 1 1 A 40 40 ALA CA C 40 51.370 51.089 0.281 1
1 500 . 1 1 1 A 40 40 ALA CB C 40 20.975 20.612 0.363 1
1 501 . 1 1 1 A 40 40 ALA N N 40 127.058 124.749 2.309 1
1 502 . 1 1 1 A 41 41 LYS H H 41 8.865 9.464 -0.599 1
1 503 . 1 1 1 A 41 41 LYS HA H 41 4.435 4.551 -0.116 1
1 512 . 1 1 1 A 41 41 LYS C C 41 175.565 175.395 0.170 1
1 513 . 1 1 1 A 41 41 LYS CA C 41 56.736 57.599 -0.863 1
1 514 . 1 1 1 A 41 41 LYS CB C 41 34.811 35.093 -0.282 1
1 518 . 1 1 1 A 41 41 LYS N N 41 121.996 122.696 -0.700 1
1 519 . 1 1 1 A 42 42 ASP H H 42 9.197 8.404 0.793 1
1 520 . 1 1 1 A 42 42 ASP HA H 42 4.373 4.846 -0.473 1
1 523 . 1 1 1 A 42 42 ASP C C 42 175.447 175.729 -0.282 1
1 524 . 1 1 1 A 42 42 ASP CA C 42 55.547 52.645 2.902 1
1 525 . 1 1 1 A 42 42 ASP CB C 42 39.485 41.563 -2.078 1
1 526 . 1 1 1 A 42 42 ASP N N 42 122.213 118.814 3.399 1
1 527 . 1 1 1 A 43 43 GLY H H 43 9.306 8.430 0.876 1
1 528 . 1 1 1 A 43 43 GLY HA2 H 43 4.443 3.930 0.513 1
1 529 . 1 1 1 A 43 43 GLY HA3 H 43 3.816 3.937 -0.121 1
1 530 . 1 1 1 A 43 43 GLY C C 43 174.979 173.553 1.426 1
1 531 . 1 1 1 A 43 43 GLY CA C 43 45.661 45.673 -0.012 1
1 532 . 1 1 1 A 43 43 GLY N N 43 104.610 113.324 -8.714 1
1 533 . 1 1 1 A 44 44 ILE H H 44 8.117 7.929 0.188 1
1 534 . 1 1 1 A 44 44 ILE HA H 44 5.112 4.929 0.183 1
1 544 . 1 1 1 A 44 44 ILE C C 44 175.213 175.138 0.075 1
1 545 . 1 1 1 A 44 44 ILE CA C 44 59.040 59.423 -0.383 1
1 546 . 1 1 1 A 44 44 ILE CB C 44 42.013 40.773 1.240 1
1 550 . 1 1 1 A 44 44 ILE N N 44 122.284 122.147 0.137 1
1 551 . 1 1 1 A 45 45 PHE H H 45 8.955 8.868 0.087 1
1 552 . 1 1 1 A 45 45 PHE HA H 45 5.740 5.810 -0.070 1
1 560 . 1 1 1 A 45 45 PHE C C 45 172.283 172.490 -0.207 1
1 561 . 1 1 1 A 45 45 PHE CA C 45 55.872 55.158 0.714 1
1 562 . 1 1 1 A 45 45 PHE CB C 45 42.740 42.708 0.032 1
1 566 . 1 1 1 A 45 45 PHE N N 45 121.747 120.697 1.050 1
1 567 . 1 1 1 A 46 46 THR H H 46 8.659 9.162 -0.503 1
1 568 . 1 1 1 A 46 46 THR HA H 46 5.111 5.386 -0.275 1
1 574 . 1 1 1 A 46 46 THR C C 46 174.041 172.102 1.939 1
1 575 . 1 1 1 A 46 46 THR CA C 46 59.750 60.048 -0.298 1
1 576 . 1 1 1 A 46 46 THR CB C 46 71.380 71.044 0.336 1
1 578 . 1 1 1 A 46 46 THR N N 46 113.420 117.086 -3.666 1
1 579 . 1 1 1 A 47 47 CYS H H 47 9.619 9.376 0.243 1
1 580 . 1 1 1 A 47 47 CYS HA H 47 5.562 5.422 0.140 1
1 584 . 1 1 1 A 47 47 CYS C C 47 172.283 173.020 -0.737 1
1 585 . 1 1 1 A 47 47 CYS CA C 47 56.776 57.088 -0.312 1
1 586 . 1 1 1 A 47 47 CYS CB C 47 29.112 30.556 -1.444 1
1 587 . 1 1 1 A 47 47 CYS N N 47 124.781 129.846 -5.065 1
1 588 . 1 1 1 A 48 48 ASN H H 48 9.293 9.468 -0.175 1
1 589 . 1 1 1 A 48 48 ASN HA H 48 5.629 5.745 -0.116 1
1 594 . 1 1 1 A 48 48 ASN C C 48 173.455 173.525 -0.070 1
1 595 . 1 1 1 A 48 48 ASN CA C 48 51.962 52.390 -0.428 1
1 596 . 1 1 1 A 48 48 ASN CB C 48 40.059 39.908 0.151 1
1 597 . 1 1 1 A 48 48 ASN N N 48 129.520 125.807 3.713 1
1 599 . 1 1 1 A 49 49 LEU H H 49 9.435 9.064 0.371 1
1 600 . 1 1 1 A 49 49 LEU HA H 49 5.158 4.957 0.201 1
1 610 . 1 1 1 A 49 49 LEU C C 49 174.510 174.542 -0.032 1
1 611 . 1 1 1 A 49 49 LEU CA C 49 53.178 53.686 -0.508 1
1 612 . 1 1 1 A 49 49 LEU CB C 49 46.402 44.349 2.053 1
1 616 . 1 1 1 A 49 49 LEU N N 49 125.541 127.017 -1.476 1
1 617 . 1 1 1 A 50 50 MET H H 50 8.978 9.123 -0.145 1
1 618 . 1 1 1 A 50 50 MET HA H 50 5.723 5.335 0.388 1
1 626 . 1 1 1 A 50 50 MET C C 50 175.682 175.113 0.569 1
1 627 . 1 1 1 A 50 50 MET CA C 50 54.073 53.892 0.181 1
1 628 . 1 1 1 A 50 50 MET CB C 50 33.643 34.697 -1.054 1
1 631 . 1 1 1 A 50 50 MET N N 50 123.131 125.092 -1.961 1
1 632 . 1 1 1 A 51 51 ILE H H 51 9.056 8.793 0.263 1
1 633 . 1 1 1 A 51 51 ILE HA H 51 5.044 5.158 -0.114 1
1 643 . 1 1 1 A 51 51 ILE C C 51 173.689 174.346 -0.657 1
1 644 . 1 1 1 A 51 51 ILE CA C 51 58.495 58.748 -0.253 1
1 645 . 1 1 1 A 51 51 ILE CB C 51 41.447 42.391 -0.944 1
1 649 . 1 1 1 A 51 51 ILE N N 51 118.753 118.007 0.746 1
1 650 . 1 1 1 A 52 52 PHE H H 52 8.324 8.208 0.116 1
1 651 . 1 1 1 A 52 52 PHE HA H 52 5.345 5.461 -0.116 1
1 659 . 1 1 1 A 52 52 PHE C C 52 176.084 174.955 1.129 1
1 660 . 1 1 1 A 52 52 PHE CA C 52 56.478 56.474 0.004 1
1 661 . 1 1 1 A 52 52 PHE CB C 52 40.520 42.038 -1.518 1
1 665 . 1 1 1 A 52 52 PHE N N 52 120.910 119.381 1.529 1
1 666 . 1 1 1 A 53 53 VAL H H 53 8.865 8.171 0.694 1
1 667 . 1 1 1 A 53 53 VAL HA H 53 4.663 4.530 0.133 1
1 675 . 1 1 1 A 53 53 VAL C C 53 174.812 175.594 -0.782 1
1 676 . 1 1 1 A 53 53 VAL CA C 53 58.881 59.214 -0.333 1
1 677 . 1 1 1 A 53 53 VAL CB C 53 35.707 35.071 0.636 1
1 680 . 1 1 1 A 53 53 VAL N N 53 118.244 115.350 2.894 1
1 681 . 1 1 1 A 54 54 LYS H H 54 8.335 8.534 -0.199 1
1 682 . 1 1 1 A 54 54 LYS HA H 54 4.324 4.620 -0.296 1
1 691 . 1 1 1 A 54 54 LYS C C 54 176.655 177.036 -0.381 1
1 692 . 1 1 1 A 54 54 LYS CA C 54 58.039 58.247 -0.208 1
1 693 . 1 1 1 A 54 54 LYS CB C 54 33.974 32.956 1.018 1
1 697 . 1 1 1 A 54 54 LYS N N 54 120.334 122.944 -2.610 1
1 698 . 1 1 1 A 55 55 ASN H H 55 7.235 7.936 -0.701 1
1 699 . 1 1 1 A 55 55 ASN HA H 55 4.888 5.264 -0.376 1
1 704 . 1 1 1 A 55 55 ASN C C 55 175.083 176.116 -1.033 1
1 705 . 1 1 1 A 55 55 ASN CA C 55 52.173 52.010 0.163 1
1 706 . 1 1 1 A 55 55 ASN CB C 55 39.333 41.290 -1.957 1
1 707 . 1 1 1 A 55 55 ASN N N 55 108.018 116.162 -8.144 1
1 709 . 1 1 1 A 56 56 THR H H 56 8.865 9.012 -0.147 1
1 710 . 1 1 1 A 56 56 THR HA H 56 4.036 4.283 -0.247 1
1 715 . 1 1 1 A 56 56 THR C C 56 178.637 175.749 2.888 1
1 716 . 1 1 1 A 56 56 THR CA C 56 65.800 65.489 0.311 1
1 717 . 1 1 1 A 56 56 THR CB C 56 68.341 68.408 -0.067 1
1 719 . 1 1 1 A 56 56 THR N N 56 113.338 117.051 -3.713 1
1 720 . 1 1 1 A 57 57 ASP H H 57 8.384 8.158 0.226 1
1 721 . 1 1 1 A 57 57 ASP HA H 57 4.467 4.458 0.009 1
1 724 . 1 1 1 A 57 57 ASP CA C 57 57.400 57.372 0.028 1
1 725 . 1 1 1 A 57 57 ASP CB C 57 39.938 40.155 -0.217 1
1 726 . 1 1 1 A 57 57 ASP N N 57 124.402 122.555 1.847 1
1 727 . 1 1 1 A 58 58 LYS H H 58 8.266 7.983 0.283 1
1 728 . 1 1 1 A 58 58 LYS HA H 58 4.172 4.011 0.161 1
1 740 . 1 1 1 A 58 58 LYS C C 58 178.378 178.448 -0.070 1
1 741 . 1 1 1 A 58 58 LYS CA C 58 57.695 58.650 -0.955 1
1 742 . 1 1 1 A 58 58 LYS CB C 58 31.763 32.151 -0.388 1
1 746 . 1 1 1 A 58 58 LYS N N 58 120.194 121.353 -1.159 1
1 747 . 1 1 1 A 59 59 LEU H H 59 7.302 7.364 -0.062 1
1 748 . 1 1 1 A 59 59 LEU HA H 59 3.907 4.015 -0.108 1
1 758 . 1 1 1 A 59 59 LEU C C 59 177.909 178.571 -0.662 1
1 759 . 1 1 1 A 59 59 LEU CA C 59 57.979 57.745 0.234 1
1 760 . 1 1 1 A 59 59 LEU CB C 59 41.727 41.681 0.046 1
1 764 . 1 1 1 A 59 59 LEU N N 59 118.583 120.756 -2.173 1
1 765 . 1 1 1 A 60 60 THR H H 60 8.500 8.252 0.248 1
1 766 . 1 1 1 A 60 60 THR HA H 60 3.845 4.096 -0.251 1
1 771 . 1 1 1 A 60 60 THR C C 60 176.502 177.296 -0.794 1
1 772 . 1 1 1 A 60 60 THR CA C 60 66.691 65.670 1.021 1
1 773 . 1 1 1 A 60 60 THR CB C 60 68.390 68.343 0.047 1
1 775 . 1 1 1 A 60 60 THR N N 60 115.462 112.263 3.199 1
1 776 . 1 1 1 A 61 61 THR H H 61 7.996 7.942 0.054 1
1 777 . 1 1 1 A 61 61 THR HA H 61 4.053 3.922 0.131 1
1 782 . 1 1 1 A 61 61 THR C C 61 176.502 176.596 -0.094 1
1 783 . 1 1 1 A 61 61 THR CA C 61 66.420 67.204 -0.784 1
1 784 . 1 1 1 A 61 61 THR CB C 61 68.549 67.756 0.793 1
1 786 . 1 1 1 A 61 61 THR N N 61 117.698 116.649 1.049 1
1 787 . 1 1 1 A 62 62 LEU H H 62 7.717 7.780 -0.063 1
1 788 . 1 1 1 A 62 62 LEU HA H 62 3.542 3.586 -0.044 1
1 798 . 1 1 1 A 62 62 LEU C C 62 178.612 179.154 -0.542 1
1 799 . 1 1 1 A 62 62 LEU CA C 62 57.988 57.618 0.370 1
1 800 . 1 1 1 A 62 62 LEU CB C 62 40.241 41.126 -0.885 1
1 804 . 1 1 1 A 62 62 LEU N N 62 122.534 120.929 1.605 1
1 805 . 1 1 1 A 63 63 MET H H 63 8.230 7.854 0.376 1
1 806 . 1 1 1 A 63 63 MET HA H 63 3.771 4.055 -0.284 1
1 814 . 1 1 1 A 63 63 MET C C 63 177.674 178.077 -0.403 1
1 815 . 1 1 1 A 63 63 MET CA C 63 60.699 58.893 1.806 1
1 816 . 1 1 1 A 63 63 MET CB C 63 33.024 32.358 0.666 1
1 819 . 1 1 1 A 63 63 MET N N 63 116.719 117.511 -0.792 1
1 820 . 1 1 1 A 64 64 ASP H H 64 8.263 7.935 0.328 1
1 821 . 1 1 1 A 64 64 ASP HA H 64 4.401 4.371 0.030 1
1 824 . 1 1 1 A 64 64 ASP C C 64 178.378 178.400 -0.022 1
1 825 . 1 1 1 A 64 64 ASP CA C 64 57.400 57.495 -0.095 1
1 826 . 1 1 1 A 64 64 ASP CB C 64 40.703 42.156 -1.453 1
1 827 . 1 1 1 A 64 64 ASP N N 64 118.611 120.133 -1.522 1
1 828 . 1 1 1 A 65 65 LYS H H 65 7.755 7.664 0.091 1
1 829 . 1 1 1 A 65 65 LYS HA H 65 3.970 4.041 -0.071 1
1 838 . 1 1 1 A 65 65 LYS C C 65 179.922 179.243 0.679 1
1 839 . 1 1 1 A 65 65 LYS CA C 65 59.466 59.716 -0.250 1
1 840 . 1 1 1 A 65 65 LYS CB C 65 32.372 32.304 0.068 1
1 844 . 1 1 1 A 65 65 LYS N N 65 118.452 118.881 -0.429 1
1 845 . 1 1 1 A 66 66 LEU H H 66 7.768 8.206 -0.438 1
1 846 . 1 1 1 A 66 66 LEU HA H 66 4.066 4.190 -0.124 1
1 856 . 1 1 1 A 66 66 LEU C C 66 177.557 179.525 -1.968 1
1 857 . 1 1 1 A 66 66 LEU CA C 66 57.550 57.065 0.485 1
1 858 . 1 1 1 A 66 66 LEU CB C 66 43.218 41.734 1.484 1
1 862 . 1 1 1 A 66 66 LEU N N 66 118.471 119.534 -1.063 1
1 863 . 1 1 1 A 67 67 ARG H H 67 8.017 8.702 -0.685 1
1 864 . 1 1 1 A 67 67 ARG HA H 67 3.855 4.249 -0.394 1
1 872 . 1 1 1 A 67 67 ARG C C 67 177.440 177.762 -0.322 1
1 873 . 1 1 1 A 67 67 ARG CA C 67 58.584 58.236 0.348 1
1 874 . 1 1 1 A 67 67 ARG CB C 67 30.313 29.834 0.479 1
1 877 . 1 1 1 A 67 67 ARG N N 67 115.702 119.414 -3.712 1
1 879 . 1 1 1 A 68 68 LYS H H 68 7.168 7.816 -0.648 1
1 880 . 1 1 1 A 68 68 LYS HA H 68 4.198 4.334 -0.136 1
1 889 . 1 1 1 A 68 68 LYS C C 68 176.502 176.839 -0.337 1
1 890 . 1 1 1 A 68 68 LYS CA C 68 56.149 57.218 -1.069 1
1 891 . 1 1 1 A 68 68 LYS CB C 68 32.725 32.489 0.236 1
1 895 . 1 1 1 A 68 68 LYS N N 68 115.213 117.373 -2.160 1
1 896 . 1 1 1 A 69 69 VAL H H 69 7.348 7.412 -0.064 1
1 897 . 1 1 1 A 69 69 VAL HA H 69 3.776 4.217 -0.441 1
1 905 . 1 1 1 A 69 69 VAL C C 69 175.916 176.899 -0.983 1
1 906 . 1 1 1 A 69 69 VAL CA C 69 63.134 62.811 0.323 1
1 907 . 1 1 1 A 69 69 VAL CB C 69 31.075 32.050 -0.975 1
1 910 . 1 1 1 A 69 69 VAL N N 69 123.611 120.346 3.265 1
1 911 . 1 1 1 A 70 70 GLN H H 70 8.632 8.707 -0.075 1
1 912 . 1 1 1 A 70 70 GLN HA H 70 4.072 4.111 -0.039 1
1 919 . 1 1 1 A 70 70 GLN C C 70 176.151 177.680 -1.529 1
1 920 . 1 1 1 A 70 70 GLN CA C 70 57.800 57.994 -0.194 1
1 921 . 1 1 1 A 70 70 GLN CB C 70 28.100 28.233 -0.133 1
1 923 . 1 1 1 A 70 70 GLN N N 70 130.070 126.526 3.544 1
1 925 . 1 1 1 A 71 71 GLY H H 71 8.783 8.099 0.684 1
1 926 . 1 1 1 A 71 71 GLY HA2 H 71 4.598 4.061 0.537 1
1 927 . 1 1 1 A 71 71 GLY HA3 H 71 3.677 4.077 -0.400 1
1 928 . 1 1 1 A 71 71 GLY C C 71 173.924 174.195 -0.271 1
1 929 . 1 1 1 A 71 71 GLY CA C 71 44.941 45.622 -0.681 1
1 930 . 1 1 1 A 71 71 GLY N N 71 113.801 108.259 5.542 1
1 931 . 1 1 1 A 72 72 VAL H H 72 7.805 7.551 0.254 1
1 932 . 1 1 1 A 72 72 VAL HA H 72 3.723 3.906 -0.183 1
1 940 . 1 1 1 A 72 72 VAL C C 72 176.502 176.363 0.139 1
1 941 . 1 1 1 A 72 72 VAL CA C 72 64.020 62.233 1.787 1
1 942 . 1 1 1 A 72 72 VAL CB C 72 32.003 32.747 -0.744 1
1 945 . 1 1 1 A 72 72 VAL N N 72 120.334 120.509 -0.175 1
1 946 . 1 1 1 A 73 73 PHE H H 73 9.522 7.633 1.889 1
1 947 . 1 1 1 A 73 73 PHE HA H 73 5.109 4.902 0.207 1
1 955 . 1 1 1 A 73 73 PHE C C 73 176.502 174.494 2.008 1
1 956 . 1 1 1 A 73 73 PHE CA C 73 56.354 56.601 -0.247 1
1 957 . 1 1 1 A 73 73 PHE CB C 73 39.615 40.580 -0.965 1
1 961 . 1 1 1 A 73 73 PHE N N 73 127.542 121.666 5.876 1
1 962 . 1 1 1 A 74 74 THR H H 74 7.972 7.334 0.638 1
1 963 . 1 1 1 A 74 74 THR HA H 74 4.736 4.922 -0.186 1
1 968 . 1 1 1 A 74 74 THR C C 74 172.400 173.558 -1.158 1
1 969 . 1 1 1 A 74 74 THR CA C 74 60.604 60.544 0.060 1
1 970 . 1 1 1 A 74 74 THR CB C 74 72.576 71.362 1.214 1
1 972 . 1 1 1 A 74 74 THR N N 74 111.809 110.999 0.810 1
1 973 . 1 1 1 A 75 75 VAL H H 75 8.584 9.071 -0.487 1
1 974 . 1 1 1 A 75 75 VAL HA H 75 4.878 4.719 0.159 1
1 982 . 1 1 1 A 75 75 VAL C C 75 174.510 174.935 -0.425 1
1 983 . 1 1 1 A 75 75 VAL CA C 75 61.844 61.710 0.134 1
1 984 . 1 1 1 A 75 75 VAL CB C 75 34.500 33.828 0.672 1
1 987 . 1 1 1 A 75 75 VAL N N 75 122.820 125.212 -2.392 1
1 988 . 1 1 1 A 76 76 GLU H H 76 9.029 9.108 -0.079 1
1 989 . 1 1 1 A 76 76 GLU HA H 76 4.861 4.939 -0.078 1
1 994 . 1 1 1 A 76 76 GLU C C 76 174.510 174.332 0.178 1
1 995 . 1 1 1 A 76 76 GLU CA C 76 53.757 54.621 -0.864 1
1 996 . 1 1 1 A 76 76 GLU CB C 76 34.230 33.279 0.951 1
1 998 . 1 1 1 A 76 76 GLU N N 76 124.572 126.093 -1.521 1
1 999 . 1 1 1 A 77 77 ARG H H 77 8.962 8.728 0.234 1
1 1000 . 1 1 1 A 77 77 ARG HA H 77 4.736 4.893 -0.157 1
1 1008 . 1 1 1 A 77 77 ARG C C 77 176.502 175.389 1.113 1
1 1009 . 1 1 1 A 77 77 ARG CA C 77 55.521 55.397 0.124 1
1 1010 . 1 1 1 A 77 77 ARG CB C 77 30.893 31.792 -0.899 1
1 1013 . 1 1 1 A 77 77 ARG N N 77 122.875 123.214 -0.339 1
1 1015 . 1 1 1 A 78 78 LEU H H 78 8.252 9.169 -0.917 1
1 1016 . 1 1 1 A 78 78 LEU HA H 78 4.505 4.529 -0.024 1
1 1026 . 1 1 1 A 78 78 LEU C C 78 176.737 177.850 -1.113 1
1 1027 . 1 1 1 A 78 78 LEU CA C 78 53.875 54.209 -0.334 1
1 1028 . 1 1 1 A 78 78 LEU CB C 78 43.228 41.123 2.105 1
1 1032 . 1 1 1 A 78 78 LEU N N 78 127.062 128.024 -0.962 1
1 1033 . 1 1 1 A 79 79 SER H H 79 8.635 8.741 -0.106 1
1 1034 . 1 1 1 A 79 79 SER HA H 79 4.492 4.379 0.113 1
1 1037 . 1 1 1 A 79 79 SER C C 79 174.041 174.693 -0.652 1
1 1038 . 1 1 1 A 79 79 SER CA C 79 58.465 60.794 -2.329 1
1 1039 . 1 1 1 A 79 79 SER CB C 79 63.993 63.203 0.790 1
1 1040 . 1 1 1 A 79 79 SER N N 79 118.446 119.878 -1.432 1
1 1041 . 1 1 1 A 80 80 ASN H H 80 8.421 7.827 0.594 1
1 1042 . 1 1 1 A 80 80 ASN HA H 80 4.668 4.728 -0.060 1
1 1047 . 1 1 1 A 80 80 ASN C C 80 175.096 175.279 -0.183 1
1 1048 . 1 1 1 A 80 80 ASN CA C 80 53.300 53.181 0.119 1
1 1049 . 1 1 1 A 80 80 ASN CB C 80 38.300 38.384 -0.084 1
1 1050 . 1 1 1 A 80 80 ASN N N 80 119.339 117.026 2.313 1
1 1052 . 1 1 1 A 81 81 LEU H H 81 8.256 8.970 -0.714 1
1 1053 . 1 1 1 A 81 81 LEU HA H 81 4.258 5.058 -0.800 1
1 1063 . 1 1 1 A 81 81 LEU C C 81 177.323 177.533 -0.210 1
1 1064 . 1 1 1 A 81 81 LEU CA C 81 55.263 53.375 1.888 1
1 1065 . 1 1 1 A 81 81 LEU CB C 81 41.756 44.578 -2.822 1
1 1069 . 1 1 1 A 81 81 LEU N N 81 121.238 126.507 -5.269 1
1 1070 . 1 1 1 A 82 82 GLU H H 82 8.282 8.973 -0.691 1
1 1071 . 1 1 1 A 82 82 GLU HA H 82 4.169 4.517 -0.348 1
1 1076 . 1 1 1 A 82 82 GLU C C 82 176.385 176.381 0.004 1
1 1077 . 1 1 1 A 82 82 GLU CA C 82 56.762 56.556 0.206 1
1 1078 . 1 1 1 A 82 82 GLU CB C 82 29.997 29.152 0.845 1
1 1080 . 1 1 1 A 82 82 GLU N N 82 120.037 119.889 0.148 1
1 1081 . 1 1 1 A 83 83 HIS H H 83 8.195 8.033 0.162 1
1 1082 . 1 1 1 A 83 83 HIS HA H 83 4.535 4.571 -0.036 1
1 1087 . 1 1 1 A 83 83 HIS C C 83 175.081 174.332 0.749 1
1 1088 . 1 1 1 A 83 83 HIS CA C 83 55.951 54.838 1.113 1
1 1089 . 1 1 1 A 83 83 HIS CB C 83 30.366 28.169 2.197 1
1 1 . 2 1 1 A 2 2 THR HA H 2 3.782 4.824 -1.042 1
1 6 . 2 1 1 A 2 2 THR C C 2 171.502 173.918 -2.416 1
1 7 . 2 1 1 A 2 2 THR CA C 2 61.906 61.427 0.479 1
1 8 . 2 1 1 A 2 2 THR CB C 2 69.449 70.483 -1.034 1
1 10 . 2 1 1 A 3 3 ASP H H 3 8.636 8.712 -0.076 1
1 11 . 2 1 1 A 3 3 ASP HA H 3 4.803 5.058 -0.255 1
1 14 . 2 1 1 A 3 3 ASP C C 3 175.330 176.704 -1.374 1
1 15 . 2 1 1 A 3 3 ASP CA C 3 54.454 54.976 -0.522 1
1 16 . 2 1 1 A 3 3 ASP CB C 3 41.426 41.274 0.152 1
1 17 . 2 1 1 A 3 3 ASP N N 3 125.850 125.423 0.427 1
1 18 . 2 1 1 A 4 4 PHE H H 4 8.608 8.696 -0.088 1
1 19 . 2 1 1 A 4 4 PHE HA H 4 5.042 5.848 -0.806 1
1 27 . 2 1 1 A 4 4 PHE C C 4 172.986 172.878 0.108 1
1 28 . 2 1 1 A 4 4 PHE CA C 4 55.505 55.133 0.372 1
1 29 . 2 1 1 A 4 4 PHE CB C 4 41.288 42.355 -1.067 1
1 33 . 2 1 1 A 4 4 PHE N N 4 117.566 117.869 -0.303 1
1 34 . 2 1 1 A 5 5 LEU H H 5 8.498 8.578 -0.080 1
1 35 . 2 1 1 A 5 5 LEU HA H 5 4.532 3.785 0.747 1
1 45 . 2 1 1 A 5 5 LEU C C 5 175.330 174.421 0.909 1
1 46 . 2 1 1 A 5 5 LEU CA C 5 54.222 53.970 0.252 1
1 47 . 2 1 1 A 5 5 LEU CB C 5 42.932 42.339 0.593 1
1 51 . 2 1 1 A 5 5 LEU N N 5 123.329 122.773 0.556 1
1 52 . 2 1 1 A 6 6 ALA H H 6 9.325 8.789 0.536 1
1 53 . 2 1 1 A 6 6 ALA HA H 6 4.769 5.283 -0.514 1
1 57 . 2 1 1 A 6 6 ALA C C 6 174.744 176.968 -2.224 1
1 58 . 2 1 1 A 6 6 ALA CA C 6 50.500 50.637 -0.137 1
1 59 . 2 1 1 A 6 6 ALA CB C 6 23.746 20.881 2.865 1
1 60 . 2 1 1 A 6 6 ALA N N 6 129.530 130.248 -0.718 1
1 61 . 2 1 1 A 7 7 GLY H H 7 8.639 8.780 -0.141 1
1 62 . 2 1 1 A 7 7 GLY HA2 H 7 5.721 4.241 1.480 1
1 63 . 2 1 1 A 7 7 GLY HA3 H 7 3.508 4.249 -0.741 1
1 64 . 2 1 1 A 7 7 GLY C C 7 173.221 171.988 1.233 1
1 65 . 2 1 1 A 7 7 GLY CA C 7 45.351 43.714 1.637 1
1 66 . 2 1 1 A 7 7 GLY N N 7 106.888 109.397 -2.509 1
1 67 . 2 1 1 A 8 8 ILE H H 8 9.356 8.993 0.363 1
1 68 . 2 1 1 A 8 8 ILE HA H 8 4.957 5.148 -0.191 1
1 78 . 2 1 1 A 8 8 ILE C C 8 172.986 173.847 -0.861 1
1 79 . 2 1 1 A 8 8 ILE CA C 8 59.551 59.818 -0.267 1
1 80 . 2 1 1 A 8 8 ILE CB C 8 43.405 42.492 0.913 1
1 84 . 2 1 1 A 8 8 ILE N N 8 122.820 121.822 0.998 1
1 85 . 2 1 1 A 9 9 ARG H H 9 9.364 9.459 -0.095 1
1 86 . 2 1 1 A 9 9 ARG HA H 9 5.609 5.157 0.452 1
1 94 . 2 1 1 A 9 9 ARG C C 9 175.096 174.565 0.531 1
1 95 . 2 1 1 A 9 9 ARG CA C 9 54.192 54.449 -0.257 1
1 96 . 2 1 1 A 9 9 ARG CB C 9 33.400 32.986 0.414 1
1 99 . 2 1 1 A 9 9 ARG N N 9 126.323 127.232 -0.909 1
1 101 . 2 1 1 A 10 10 ILE H H 10 9.479 9.048 0.431 1
1 102 . 2 1 1 A 10 10 ILE HA H 10 5.089 4.871 0.218 1
1 112 . 2 1 1 A 10 10 ILE C C 10 174.275 174.681 -0.406 1
1 113 . 2 1 1 A 10 10 ILE CA C 10 60.127 59.875 0.252 1
1 114 . 2 1 1 A 10 10 ILE CB C 10 42.651 39.200 3.451 1
1 118 . 2 1 1 A 10 10 ILE N N 10 128.583 127.923 0.660 1
1 119 . 2 1 1 A 11 11 VAL H H 11 8.581 8.856 -0.275 1
1 120 . 2 1 1 A 11 11 VAL HA H 11 4.793 4.875 -0.082 1
1 128 . 2 1 1 A 11 11 VAL C C 11 175.827 174.679 1.148 1
1 129 . 2 1 1 A 11 11 VAL CA C 11 60.201 60.338 -0.137 1
1 130 . 2 1 1 A 11 11 VAL CB C 11 34.522 33.455 1.067 1
1 133 . 2 1 1 A 11 11 VAL N N 11 126.323 127.953 -1.630 1
1 134 . 2 1 1 A 12 12 GLY H H 12 7.713 7.142 0.571 1
1 135 . 2 1 1 A 12 12 GLY HA2 H 12 3.434 2.923 0.511 1
1 136 . 2 1 1 A 12 12 GLY HA3 H 12 3.563 3.802 -0.239 1
1 137 . 2 1 1 A 12 12 GLY C C 12 170.332 172.788 -2.456 1
1 138 . 2 1 1 A 12 12 GLY CA C 12 45.842 43.751 2.091 1
1 139 . 2 1 1 A 12 12 GLY N N 12 113.216 113.167 0.049 1
1 140 . 2 1 1 A 13 13 GLU H H 13 8.180 8.358 -0.178 1
1 141 . 2 1 1 A 13 13 GLU HA H 13 4.387 4.421 -0.034 1
1 146 . 2 1 1 A 13 13 GLU C C 13 175.409 175.670 -0.261 1
1 147 . 2 1 1 A 13 13 GLU CA C 13 55.865 56.870 -1.005 1
1 148 . 2 1 1 A 13 13 GLU CB C 13 31.102 30.081 1.021 1
1 150 . 2 1 1 A 13 13 GLU N N 13 119.035 118.089 0.946 1
1 151 . 2 1 1 A 14 14 ASP H H 14 8.095 9.094 -0.999 1
1 152 . 2 1 1 A 14 14 ASP HA H 14 4.888 5.020 -0.132 1
1 155 . 2 1 1 A 14 14 ASP C C 14 174.991 175.552 -0.561 1
1 156 . 2 1 1 A 14 14 ASP CA C 14 52.473 53.948 -1.475 1
1 157 . 2 1 1 A 14 14 ASP CB C 14 40.364 41.123 -0.759 1
1 158 . 2 1 1 A 14 14 ASP N N 14 122.877 124.758 -1.881 1
1 159 . 2 1 1 A 15 15 LYS H H 15 7.345 8.322 -0.977 1
1 160 . 2 1 1 A 15 15 LYS HA H 15 4.550 4.765 -0.215 1
1 169 . 2 1 1 A 15 15 LYS C C 15 176.385 175.093 1.292 1
1 170 . 2 1 1 A 15 15 LYS CA C 15 54.554 55.111 -0.557 1
1 171 . 2 1 1 A 15 15 LYS CB C 15 35.403 35.385 0.018 1
1 175 . 2 1 1 A 15 15 LYS N N 15 120.221 124.069 -3.848 1
1 176 . 2 1 1 A 16 16 ASN H H 16 9.025 9.301 -0.276 1
1 177 . 2 1 1 A 16 16 ASN HA H 16 4.386 4.478 -0.092 1
1 182 . 2 1 1 A 16 16 ASN C C 16 175.916 175.610 0.306 1
1 183 . 2 1 1 A 16 16 ASN CA C 16 54.966 54.395 0.571 1
1 184 . 2 1 1 A 16 16 ASN CB C 16 37.810 37.294 0.516 1
1 185 . 2 1 1 A 16 16 ASN N N 16 119.785 118.407 1.378 1
1 187 . 2 1 1 A 17 17 GLY H H 17 8.780 8.421 0.359 1
1 188 . 2 1 1 A 17 17 GLY HA2 H 17 4.125 3.883 0.242 1
1 189 . 2 1 1 A 17 17 GLY HA3 H 17 3.970 3.896 0.074 1
1 190 . 2 1 1 A 17 17 GLY C C 17 176.151 175.071 1.080 1
1 191 . 2 1 1 A 17 17 GLY CA C 17 45.996 46.817 -0.821 1
1 192 . 2 1 1 A 17 17 GLY N N 17 110.504 105.176 5.328 1
1 193 . 2 1 1 A 18 18 MET H H 18 7.989 8.346 -0.357 1
1 194 . 2 1 1 A 18 18 MET HA H 18 4.359 4.129 0.230 1
1 202 . 2 1 1 A 18 18 MET C C 18 178.589 178.040 0.549 1
1 203 . 2 1 1 A 18 18 MET CA C 18 57.405 57.952 -0.547 1
1 204 . 2 1 1 A 18 18 MET CB C 18 31.847 31.645 0.202 1
1 207 . 2 1 1 A 18 18 MET N N 18 121.860 119.638 2.222 1
1 208 . 2 1 1 A 19 19 THR H H 19 8.807 7.981 0.826 1
1 209 . 2 1 1 A 19 19 THR HA H 19 3.233 3.464 -0.231 1
1 215 . 2 1 1 A 19 19 THR C C 19 177.909 176.993 0.916 1
1 216 . 2 1 1 A 19 19 THR CA C 19 65.516 65.697 -0.181 1
1 217 . 2 1 1 A 19 19 THR CB C 19 67.000 68.141 -1.141 1
1 219 . 2 1 1 A 19 19 THR N N 19 111.351 111.817 -0.466 1
1 220 . 2 1 1 A 20 20 ASN H H 20 7.936 7.963 -0.027 1
1 221 . 2 1 1 A 20 20 ASN HA H 20 4.083 4.384 -0.301 1
1 226 . 2 1 1 A 20 20 ASN C C 20 176.854 177.717 -0.863 1
1 227 . 2 1 1 A 20 20 ASN CA C 20 57.669 56.318 1.351 1
1 228 . 2 1 1 A 20 20 ASN CB C 20 36.625 37.794 -1.169 1
1 229 . 2 1 1 A 20 20 ASN N N 20 121.577 120.991 0.586 1
1 231 . 2 1 1 A 21 21 GLN H H 21 8.433 7.782 0.651 1
1 232 . 2 1 1 A 21 21 GLN HA H 21 4.046 4.014 0.032 1
1 239 . 2 1 1 A 21 21 GLN C C 21 179.550 178.323 1.227 1
1 240 . 2 1 1 A 21 21 GLN CA C 21 59.187 58.578 0.609 1
1 241 . 2 1 1 A 21 21 GLN CB C 21 28.512 27.943 0.569 1
1 243 . 2 1 1 A 21 21 GLN N N 21 120.250 117.292 2.958 1
1 245 . 2 1 1 A 22 22 ILE H H 22 8.779 7.995 0.784 1
1 246 . 2 1 1 A 22 22 ILE HA H 22 3.823 3.609 0.214 1
1 256 . 2 1 1 A 22 22 ILE C C 22 176.854 177.771 -0.917 1
1 257 . 2 1 1 A 22 22 ILE CA C 22 61.611 65.447 -3.836 1
1 258 . 2 1 1 A 22 22 ILE CB C 22 36.935 37.902 -0.967 1
1 262 . 2 1 1 A 22 22 ILE N N 22 119.497 121.206 -1.709 1
1 263 . 2 1 1 A 23 23 THR H H 23 7.478 7.890 -0.412 1
1 264 . 2 1 1 A 23 23 THR HA H 23 3.523 3.925 -0.402 1
1 270 . 2 1 1 A 23 23 THR C C 23 176.502 176.698 -0.196 1
1 271 . 2 1 1 A 23 23 THR CA C 23 67.006 66.366 0.640 1
1 272 . 2 1 1 A 23 23 THR CB C 23 67.305 68.388 -1.083 1
1 274 . 2 1 1 A 23 23 THR N N 23 115.702 116.102 -0.400 1
1 275 . 2 1 1 A 24 24 GLY H H 24 8.011 8.330 -0.319 1
1 276 . 2 1 1 A 24 24 GLY HA2 H 24 3.880 3.661 0.219 1
1 277 . 2 1 1 A 24 24 GLY HA3 H 24 3.672 3.668 0.004 1
1 278 . 2 1 1 A 24 24 GLY C C 24 176.385 175.661 0.724 1
1 279 . 2 1 1 A 24 24 GLY CA C 24 47.163 47.271 -0.108 1
1 280 . 2 1 1 A 24 24 GLY N N 24 110.691 108.082 2.609 1
1 281 . 2 1 1 A 25 25 VAL H H 25 7.898 8.544 -0.646 1
1 282 . 2 1 1 A 25 25 VAL HA H 25 3.473 3.626 -0.153 1
1 290 . 2 1 1 A 25 25 VAL C C 25 178.286 177.277 1.009 1
1 291 . 2 1 1 A 25 25 VAL CA C 25 66.432 65.754 0.678 1
1 292 . 2 1 1 A 25 25 VAL CB C 25 31.925 31.655 0.270 1
1 295 . 2 1 1 A 25 25 VAL N N 25 123.276 122.440 0.836 1
1 296 . 2 1 1 A 26 26 ILE H H 26 7.646 7.962 -0.316 1
1 297 . 2 1 1 A 26 26 ILE HA H 26 2.698 2.204 0.494 1
1 307 . 2 1 1 A 26 26 ILE C C 26 177.440 177.455 -0.015 1
1 308 . 2 1 1 A 26 26 ILE CA C 26 64.163 64.726 -0.563 1
1 309 . 2 1 1 A 26 26 ILE CB C 26 37.876 37.464 0.412 1
1 313 . 2 1 1 A 26 26 ILE N N 26 116.606 120.079 -3.473 1
1 314 . 2 1 1 A 27 27 SER H H 27 7.783 7.760 0.023 1
1 315 . 2 1 1 A 27 27 SER HA H 27 3.908 4.094 -0.186 1
1 319 . 2 1 1 A 27 27 SER C C 27 175.330 175.791 -0.461 1
1 320 . 2 1 1 A 27 27 SER CA C 27 61.465 62.326 -0.861 1
1 321 . 2 1 1 A 27 27 SER CB C 27 63.388 62.926 0.462 1
1 322 . 2 1 1 A 27 27 SER N N 27 112.932 116.013 -3.081 1
1 323 . 2 1 1 A 28 28 LYS H H 28 7.008 7.414 -0.406 1
1 324 . 2 1 1 A 28 28 LYS HA H 28 4.234 4.269 -0.035 1
1 333 . 2 1 1 A 28 28 LYS C C 28 177.323 176.942 0.381 1
1 334 . 2 1 1 A 28 28 LYS CA C 28 56.161 56.431 -0.270 1
1 335 . 2 1 1 A 28 28 LYS CB C 28 32.742 32.565 0.177 1
1 339 . 2 1 1 A 28 28 LYS N N 28 118.978 117.453 1.525 1
1 340 . 2 1 1 A 29 29 PHE H H 29 7.691 7.184 0.507 1
1 341 . 2 1 1 A 29 29 PHE HA H 29 4.576 4.515 0.061 1
1 349 . 2 1 1 A 29 29 PHE C C 29 175.841 176.176 -0.335 1
1 350 . 2 1 1 A 29 29 PHE CA C 29 56.366 58.367 -2.001 1
1 351 . 2 1 1 A 29 29 PHE CB C 29 38.723 39.708 -0.985 1
1 355 . 2 1 1 A 29 29 PHE N N 29 120.755 119.741 1.014 1
1 356 . 2 1 1 A 30 30 ASP H H 30 8.388 8.789 -0.401 1
1 357 . 2 1 1 A 30 30 ASP HA H 30 4.650 4.598 0.052 1
1 360 . 2 1 1 A 30 30 ASP C C 30 175.096 175.605 -0.509 1
1 361 . 2 1 1 A 30 30 ASP CA C 30 53.331 55.999 -2.668 1
1 362 . 2 1 1 A 30 30 ASP CB C 30 38.691 40.919 -2.228 1
1 363 . 2 1 1 A 30 30 ASP N N 30 122.230 120.849 1.381 1
1 364 . 2 1 1 A 31 31 THR H H 31 7.663 7.771 -0.108 1
1 365 . 2 1 1 A 31 31 THR HA H 31 4.558 4.849 -0.291 1
1 370 . 2 1 1 A 31 31 THR C C 31 173.297 172.619 0.678 1
1 371 . 2 1 1 A 31 31 THR CA C 31 59.333 59.453 -0.120 1
1 372 . 2 1 1 A 31 31 THR CB C 31 70.319 71.498 -1.179 1
1 374 . 2 1 1 A 31 31 THR N N 31 112.538 113.818 -1.280 1
1 375 . 2 1 1 A 32 32 ASN H H 32 8.308 8.798 -0.490 1
1 376 . 2 1 1 A 32 32 ASN HA H 32 4.910 5.232 -0.322 1
1 381 . 2 1 1 A 32 32 ASN C C 32 175.447 174.819 0.628 1
1 382 . 2 1 1 A 32 32 ASN CA C 32 52.732 51.801 0.931 1
1 383 . 2 1 1 A 32 32 ASN CB C 32 39.337 40.865 -1.528 1
1 384 . 2 1 1 A 32 32 ASN N N 32 121.973 122.924 -0.951 1
1 386 . 2 1 1 A 33 33 ILE H H 33 8.320 8.962 -0.642 1
1 387 . 2 1 1 A 33 33 ILE HA H 33 3.846 4.120 -0.274 1
1 397 . 2 1 1 A 33 33 ILE C C 33 175.230 175.924 -0.694 1
1 398 . 2 1 1 A 33 33 ILE CA C 33 63.300 62.022 1.278 1
1 399 . 2 1 1 A 33 33 ILE CB C 33 39.167 36.944 2.223 1
1 403 . 2 1 1 A 33 33 ILE N N 33 125.984 126.784 -0.800 1
1 404 . 2 1 1 A 34 34 ARG H H 34 8.858 8.981 -0.123 1
1 405 . 2 1 1 A 34 34 ARG HA H 34 4.538 4.490 0.048 1
1 413 . 2 1 1 A 34 34 ARG C C 34 175.565 176.537 -0.972 1
1 414 . 2 1 1 A 34 34 ARG CA C 34 54.900 57.413 -2.513 1
1 415 . 2 1 1 A 34 34 ARG CB C 34 30.275 31.157 -0.882 1
1 418 . 2 1 1 A 34 34 ARG N N 34 126.537 128.605 -2.068 1
1 420 . 2 1 1 A 35 35 THR H H 35 7.698 7.500 0.198 1
1 421 . 2 1 1 A 35 35 THR HA H 35 5.311 4.972 0.339 1
1 426 . 2 1 1 A 35 35 THR C C 35 173.807 172.452 1.355 1
1 427 . 2 1 1 A 35 35 THR CA C 35 61.040 61.068 -0.028 1
1 428 . 2 1 1 A 35 35 THR CB C 35 74.055 73.556 0.499 1
1 430 . 2 1 1 A 35 35 THR N N 35 111.895 111.578 0.317 1
1 431 . 2 1 1 A 36 36 ILE H H 36 8.907 8.590 0.317 1
1 432 . 2 1 1 A 36 36 ILE HA H 36 4.753 5.255 -0.502 1
1 442 . 2 1 1 A 36 36 ILE C C 36 174.275 173.222 1.053 1
1 443 . 2 1 1 A 36 36 ILE CA C 36 61.400 59.979 1.421 1
1 444 . 2 1 1 A 36 36 ILE CB C 36 42.569 41.536 1.033 1
1 448 . 2 1 1 A 36 36 ILE N N 36 123.257 123.365 -0.108 1
1 449 . 2 1 1 A 37 37 VAL H H 37 8.933 8.810 0.123 1
1 450 . 2 1 1 A 37 37 VAL HA H 37 4.903 4.638 0.265 1
1 458 . 2 1 1 A 37 37 VAL C C 37 174.684 174.054 0.630 1
1 459 . 2 1 1 A 37 37 VAL CA C 37 62.100 61.583 0.517 1
1 460 . 2 1 1 A 37 37 VAL CB C 37 34.186 34.263 -0.077 1
1 463 . 2 1 1 A 37 37 VAL N N 37 126.323 128.397 -2.074 1
1 464 . 2 1 1 A 38 38 LEU H H 38 9.751 9.102 0.649 1
1 465 . 2 1 1 A 38 38 LEU HA H 38 5.636 5.668 -0.032 1
1 475 . 2 1 1 A 38 38 LEU C C 38 174.510 175.163 -0.653 1
1 476 . 2 1 1 A 38 38 LEU CA C 38 53.810 53.605 0.205 1
1 477 . 2 1 1 A 38 38 LEU CB C 38 45.655 44.980 0.675 1
1 481 . 2 1 1 A 38 38 LEU N N 38 133.332 130.005 3.327 1
1 482 . 2 1 1 A 39 39 ASN H H 39 8.952 8.924 0.028 1
1 483 . 2 1 1 A 39 39 ASN HA H 39 5.450 5.470 -0.020 1
1 488 . 2 1 1 A 39 39 ASN C C 39 172.869 173.401 -0.532 1
1 489 . 2 1 1 A 39 39 ASN CA C 39 53.137 51.442 1.695 1
1 490 . 2 1 1 A 39 39 ASN CB C 39 43.287 42.600 0.687 1
1 491 . 2 1 1 A 39 39 ASN N N 39 123.262 122.913 0.349 1
1 493 . 2 1 1 A 40 40 ALA H H 40 8.467 9.017 -0.550 1
1 494 . 2 1 1 A 40 40 ALA HA H 40 5.345 5.564 -0.219 1
1 498 . 2 1 1 A 40 40 ALA C C 40 175.447 176.343 -0.896 1
1 499 . 2 1 1 A 40 40 ALA CA C 40 51.370 50.588 0.782 1
1 500 . 2 1 1 A 40 40 ALA CB C 40 20.975 21.617 -0.642 1
1 501 . 2 1 1 A 40 40 ALA N N 40 127.058 124.779 2.279 1
1 502 . 2 1 1 A 41 41 LYS H H 41 8.865 8.949 -0.084 1
1 503 . 2 1 1 A 41 41 LYS HA H 41 4.435 4.827 -0.392 1
1 512 . 2 1 1 A 41 41 LYS C C 41 175.565 174.864 0.701 1
1 513 . 2 1 1 A 41 41 LYS CA C 41 56.736 55.318 1.418 1
1 514 . 2 1 1 A 41 41 LYS CB C 41 34.811 35.299 -0.488 1
1 518 . 2 1 1 A 41 41 LYS N N 41 121.996 118.392 3.604 1
1 519 . 2 1 1 A 42 42 ASP H H 42 9.197 9.369 -0.172 1
1 520 . 2 1 1 A 42 42 ASP HA H 42 4.373 4.442 -0.069 1
1 523 . 2 1 1 A 42 42 ASP C C 42 175.447 176.254 -0.807 1
1 524 . 2 1 1 A 42 42 ASP CA C 42 55.547 55.376 0.171 1
1 525 . 2 1 1 A 42 42 ASP CB C 42 39.485 39.437 0.048 1
1 526 . 2 1 1 A 42 42 ASP N N 42 122.213 123.303 -1.090 1
1 527 . 2 1 1 A 43 43 GLY H H 43 9.306 8.723 0.583 1
1 528 . 2 1 1 A 43 43 GLY HA2 H 43 4.443 3.879 0.564 1
1 529 . 2 1 1 A 43 43 GLY HA3 H 43 3.816 3.883 -0.067 1
1 530 . 2 1 1 A 43 43 GLY C C 43 174.979 173.898 1.081 1
1 531 . 2 1 1 A 43 43 GLY CA C 43 45.661 45.543 0.118 1
1 532 . 2 1 1 A 43 43 GLY N N 43 104.610 104.560 0.050 1
1 533 . 2 1 1 A 44 44 ILE H H 44 8.117 8.099 0.018 1
1 534 . 2 1 1 A 44 44 ILE HA H 44 5.112 4.819 0.293 1
1 544 . 2 1 1 A 44 44 ILE C C 44 175.213 174.804 0.409 1
1 545 . 2 1 1 A 44 44 ILE CA C 44 59.040 59.409 -0.369 1
1 546 . 2 1 1 A 44 44 ILE CB C 44 42.013 40.728 1.285 1
1 550 . 2 1 1 A 44 44 ILE N N 44 122.284 122.096 0.188 1
1 551 . 2 1 1 A 45 45 PHE H H 45 8.955 8.585 0.370 1
1 552 . 2 1 1 A 45 45 PHE HA H 45 5.740 5.568 0.172 1
1 560 . 2 1 1 A 45 45 PHE C C 45 172.283 172.497 -0.214 1
1 561 . 2 1 1 A 45 45 PHE CA C 45 55.872 55.547 0.325 1
1 562 . 2 1 1 A 45 45 PHE CB C 45 42.740 42.960 -0.220 1
1 566 . 2 1 1 A 45 45 PHE N N 45 121.747 119.790 1.957 1
1 567 . 2 1 1 A 46 46 THR H H 46 8.659 9.055 -0.396 1
1 568 . 2 1 1 A 46 46 THR HA H 46 5.111 5.294 -0.183 1
1 574 . 2 1 1 A 46 46 THR C C 46 174.041 172.284 1.757 1
1 575 . 2 1 1 A 46 46 THR CA C 46 59.750 59.740 0.010 1
1 576 . 2 1 1 A 46 46 THR CB C 46 71.380 71.284 0.096 1
1 578 . 2 1 1 A 46 46 THR N N 46 113.420 115.161 -1.741 1
1 579 . 2 1 1 A 47 47 CYS H H 47 9.619 9.501 0.118 1
1 580 . 2 1 1 A 47 47 CYS HA H 47 5.562 5.312 0.250 1
1 584 . 2 1 1 A 47 47 CYS C C 47 172.283 173.255 -0.972 1
1 585 . 2 1 1 A 47 47 CYS CA C 47 56.776 57.276 -0.500 1
1 586 . 2 1 1 A 47 47 CYS CB C 47 29.112 29.304 -0.192 1
1 587 . 2 1 1 A 47 47 CYS N N 47 124.781 129.898 -5.117 1
1 588 . 2 1 1 A 48 48 ASN H H 48 9.293 9.396 -0.103 1
1 589 . 2 1 1 A 48 48 ASN HA H 48 5.629 5.311 0.318 1
1 594 . 2 1 1 A 48 48 ASN C C 48 173.455 174.120 -0.665 1
1 595 . 2 1 1 A 48 48 ASN CA C 48 51.962 52.916 -0.954 1
1 596 . 2 1 1 A 48 48 ASN CB C 48 40.059 39.068 0.991 1
1 597 . 2 1 1 A 48 48 ASN N N 48 129.520 125.794 3.726 1
1 599 . 2 1 1 A 49 49 LEU H H 49 9.435 9.284 0.151 1
1 600 . 2 1 1 A 49 49 LEU HA H 49 5.158 4.996 0.162 1
1 610 . 2 1 1 A 49 49 LEU C C 49 174.510 174.597 -0.087 1
1 611 . 2 1 1 A 49 49 LEU CA C 49 53.178 53.660 -0.482 1
1 612 . 2 1 1 A 49 49 LEU CB C 49 46.402 44.702 1.700 1
1 616 . 2 1 1 A 49 49 LEU N N 49 125.541 127.248 -1.707 1
1 617 . 2 1 1 A 50 50 MET H H 50 8.978 8.922 0.056 1
1 618 . 2 1 1 A 50 50 MET HA H 50 5.723 5.323 0.400 1
1 626 . 2 1 1 A 50 50 MET C C 50 175.682 174.870 0.812 1
1 627 . 2 1 1 A 50 50 MET CA C 50 54.073 54.477 -0.404 1
1 628 . 2 1 1 A 50 50 MET CB C 50 33.643 35.293 -1.650 1
1 631 . 2 1 1 A 50 50 MET N N 50 123.131 124.944 -1.813 1
1 632 . 2 1 1 A 51 51 ILE H H 51 9.056 8.883 0.173 1
1 633 . 2 1 1 A 51 51 ILE HA H 51 5.044 5.103 -0.059 1
1 643 . 2 1 1 A 51 51 ILE C C 51 173.689 174.286 -0.597 1
1 644 . 2 1 1 A 51 51 ILE CA C 51 58.495 59.119 -0.624 1
1 645 . 2 1 1 A 51 51 ILE CB C 51 41.447 42.392 -0.945 1
1 649 . 2 1 1 A 51 51 ILE N N 51 118.753 118.577 0.176 1
1 650 . 2 1 1 A 52 52 PHE H H 52 8.324 8.517 -0.193 1
1 651 . 2 1 1 A 52 52 PHE HA H 52 5.345 5.255 0.090 1
1 659 . 2 1 1 A 52 52 PHE C C 52 176.084 175.373 0.711 1
1 660 . 2 1 1 A 52 52 PHE CA C 52 56.478 57.028 -0.550 1
1 661 . 2 1 1 A 52 52 PHE CB C 52 40.520 41.249 -0.729 1
1 665 . 2 1 1 A 52 52 PHE N N 52 120.910 120.784 0.126 1
1 666 . 2 1 1 A 53 53 VAL H H 53 8.865 8.216 0.649 1
1 667 . 2 1 1 A 53 53 VAL HA H 53 4.663 4.682 -0.019 1
1 675 . 2 1 1 A 53 53 VAL C C 53 174.812 175.981 -1.169 1
1 676 . 2 1 1 A 53 53 VAL CA C 53 58.881 59.150 -0.269 1
1 677 . 2 1 1 A 53 53 VAL CB C 53 35.707 34.831 0.876 1
1 680 . 2 1 1 A 53 53 VAL N N 53 118.244 115.344 2.900 1
1 681 . 2 1 1 A 54 54 LYS H H 54 8.335 8.593 -0.258 1
1 682 . 2 1 1 A 54 54 LYS HA H 54 4.324 4.167 0.157 1
1 691 . 2 1 1 A 54 54 LYS C C 54 176.655 176.388 0.267 1
1 692 . 2 1 1 A 54 54 LYS CA C 54 58.039 57.946 0.093 1
1 693 . 2 1 1 A 54 54 LYS CB C 54 33.974 32.552 1.422 1
1 697 . 2 1 1 A 54 54 LYS N N 54 120.334 121.773 -1.439 1
1 698 . 2 1 1 A 55 55 ASN H H 55 7.235 7.557 -0.322 1
1 699 . 2 1 1 A 55 55 ASN HA H 55 4.888 5.244 -0.356 1
1 704 . 2 1 1 A 55 55 ASN C C 55 175.083 175.294 -0.211 1
1 705 . 2 1 1 A 55 55 ASN CA C 55 52.173 51.942 0.231 1
1 706 . 2 1 1 A 55 55 ASN CB C 55 39.333 41.017 -1.684 1
1 707 . 2 1 1 A 55 55 ASN N N 55 108.018 114.805 -6.787 1
1 709 . 2 1 1 A 56 56 THR H H 56 8.865 9.266 -0.401 1
1 710 . 2 1 1 A 56 56 THR HA H 56 4.036 4.317 -0.281 1
1 715 . 2 1 1 A 56 56 THR C C 56 178.637 176.085 2.552 1
1 716 . 2 1 1 A 56 56 THR CA C 56 65.800 65.875 -0.075 1
1 717 . 2 1 1 A 56 56 THR CB C 56 68.341 68.862 -0.521 1
1 719 . 2 1 1 A 56 56 THR N N 56 113.338 115.883 -2.545 1
1 720 . 2 1 1 A 57 57 ASP H H 57 8.384 8.399 -0.015 1
1 721 . 2 1 1 A 57 57 ASP HA H 57 4.467 4.345 0.122 1
1 724 . 2 1 1 A 57 57 ASP CA C 57 57.400 57.671 -0.271 1
1 725 . 2 1 1 A 57 57 ASP CB C 57 39.938 41.243 -1.305 1
1 726 . 2 1 1 A 57 57 ASP N N 57 124.402 120.981 3.421 1
1 727 . 2 1 1 A 58 58 LYS H H 58 8.266 8.026 0.240 1
1 728 . 2 1 1 A 58 58 LYS HA H 58 4.172 4.035 0.137 1
1 740 . 2 1 1 A 58 58 LYS C C 58 178.378 178.721 -0.343 1
1 741 . 2 1 1 A 58 58 LYS CA C 58 57.695 59.025 -1.330 1
1 742 . 2 1 1 A 58 58 LYS CB C 58 31.763 31.971 -0.208 1
1 746 . 2 1 1 A 58 58 LYS N N 58 120.194 119.446 0.748 1
1 747 . 2 1 1 A 59 59 LEU H H 59 7.302 7.655 -0.353 1
1 748 . 2 1 1 A 59 59 LEU HA H 59 3.907 3.913 -0.006 1
1 758 . 2 1 1 A 59 59 LEU C C 59 177.909 178.237 -0.328 1
1 759 . 2 1 1 A 59 59 LEU CA C 59 57.979 58.029 -0.050 1
1 760 . 2 1 1 A 59 59 LEU CB C 59 41.727 41.628 0.099 1
1 764 . 2 1 1 A 59 59 LEU N N 59 118.583 120.922 -2.339 1
1 765 . 2 1 1 A 60 60 THR H H 60 8.500 8.043 0.457 1
1 766 . 2 1 1 A 60 60 THR HA H 60 3.845 3.971 -0.126 1
1 771 . 2 1 1 A 60 60 THR C C 60 176.502 176.982 -0.480 1
1 772 . 2 1 1 A 60 60 THR CA C 60 66.691 65.389 1.302 1
1 773 . 2 1 1 A 60 60 THR CB C 60 68.390 68.769 -0.379 1
1 775 . 2 1 1 A 60 60 THR N N 60 115.462 114.232 1.230 1
1 776 . 2 1 1 A 61 61 THR H H 61 7.996 7.998 -0.002 1
1 777 . 2 1 1 A 61 61 THR HA H 61 4.053 3.974 0.079 1
1 782 . 2 1 1 A 61 61 THR C C 61 176.502 176.721 -0.219 1
1 783 . 2 1 1 A 61 61 THR CA C 61 66.420 66.903 -0.483 1
1 784 . 2 1 1 A 61 61 THR CB C 61 68.549 68.039 0.510 1
1 786 . 2 1 1 A 61 61 THR N N 61 117.698 116.938 0.760 1
1 787 . 2 1 1 A 62 62 LEU H H 62 7.717 7.875 -0.158 1
1 788 . 2 1 1 A 62 62 LEU HA H 62 3.542 3.713 -0.171 1
1 798 . 2 1 1 A 62 62 LEU C C 62 178.612 179.179 -0.567 1
1 799 . 2 1 1 A 62 62 LEU CA C 62 57.988 57.694 0.294 1
1 800 . 2 1 1 A 62 62 LEU CB C 62 40.241 40.904 -0.663 1
1 804 . 2 1 1 A 62 62 LEU N N 62 122.534 120.920 1.614 1
1 805 . 2 1 1 A 63 63 MET H H 63 8.230 8.010 0.220 1
1 806 . 2 1 1 A 63 63 MET HA H 63 3.771 4.060 -0.289 1
1 814 . 2 1 1 A 63 63 MET C C 63 177.674 178.170 -0.496 1
1 815 . 2 1 1 A 63 63 MET CA C 63 60.699 58.993 1.706 1
1 816 . 2 1 1 A 63 63 MET CB C 63 33.024 32.521 0.503 1
1 819 . 2 1 1 A 63 63 MET N N 63 116.719 117.515 -0.796 1
1 820 . 2 1 1 A 64 64 ASP H H 64 8.263 7.895 0.368 1
1 821 . 2 1 1 A 64 64 ASP HA H 64 4.401 4.308 0.093 1
1 824 . 2 1 1 A 64 64 ASP C C 64 178.378 178.453 -0.075 1
1 825 . 2 1 1 A 64 64 ASP CA C 64 57.400 57.396 0.004 1
1 826 . 2 1 1 A 64 64 ASP CB C 64 40.703 41.989 -1.286 1
1 827 . 2 1 1 A 64 64 ASP N N 64 118.611 120.602 -1.991 1
1 828 . 2 1 1 A 65 65 LYS H H 65 7.755 7.725 0.030 1
1 829 . 2 1 1 A 65 65 LYS HA H 65 3.970 4.090 -0.120 1
1 838 . 2 1 1 A 65 65 LYS C C 65 179.922 179.427 0.495 1
1 839 . 2 1 1 A 65 65 LYS CA C 65 59.466 59.322 0.144 1
1 840 . 2 1 1 A 65 65 LYS CB C 65 32.372 32.858 -0.486 1
1 844 . 2 1 1 A 65 65 LYS N N 65 118.452 118.401 0.051 1
1 845 . 2 1 1 A 66 66 LEU H H 66 7.768 8.111 -0.343 1
1 846 . 2 1 1 A 66 66 LEU HA H 66 4.066 4.202 -0.136 1
1 856 . 2 1 1 A 66 66 LEU C C 66 177.557 179.542 -1.985 1
1 857 . 2 1 1 A 66 66 LEU CA C 66 57.550 56.937 0.613 1
1 858 . 2 1 1 A 66 66 LEU CB C 66 43.218 41.696 1.522 1
1 862 . 2 1 1 A 66 66 LEU N N 66 118.471 119.440 -0.969 1
1 863 . 2 1 1 A 67 67 ARG H H 67 8.017 8.408 -0.391 1
1 864 . 2 1 1 A 67 67 ARG HA H 67 3.855 4.275 -0.420 1
1 872 . 2 1 1 A 67 67 ARG C C 67 177.440 177.774 -0.334 1
1 873 . 2 1 1 A 67 67 ARG CA C 67 58.584 58.182 0.402 1
1 874 . 2 1 1 A 67 67 ARG CB C 67 30.313 30.068 0.245 1
1 877 . 2 1 1 A 67 67 ARG N N 67 115.702 119.701 -3.999 1
1 879 . 2 1 1 A 68 68 LYS H H 68 7.168 7.400 -0.232 1
1 880 . 2 1 1 A 68 68 LYS HA H 68 4.198 4.347 -0.149 1
1 889 . 2 1 1 A 68 68 LYS C C 68 176.502 176.904 -0.402 1
1 890 . 2 1 1 A 68 68 LYS CA C 68 56.149 57.302 -1.153 1
1 891 . 2 1 1 A 68 68 LYS CB C 68 32.725 32.493 0.232 1
1 895 . 2 1 1 A 68 68 LYS N N 68 115.213 117.382 -2.169 1
1 896 . 2 1 1 A 69 69 VAL H H 69 7.348 7.289 0.059 1
1 897 . 2 1 1 A 69 69 VAL HA H 69 3.776 4.197 -0.421 1
1 905 . 2 1 1 A 69 69 VAL C C 69 175.916 177.337 -1.421 1
1 906 . 2 1 1 A 69 69 VAL CA C 69 63.134 62.994 0.140 1
1 907 . 2 1 1 A 69 69 VAL CB C 69 31.075 31.622 -0.547 1
1 910 . 2 1 1 A 69 69 VAL N N 69 123.611 120.404 3.207 1
1 911 . 2 1 1 A 70 70 GLN H H 70 8.632 8.579 0.053 1
1 912 . 2 1 1 A 70 70 GLN HA H 70 4.072 4.129 -0.057 1
1 919 . 2 1 1 A 70 70 GLN C C 70 176.151 177.705 -1.554 1
1 920 . 2 1 1 A 70 70 GLN CA C 70 57.800 58.025 -0.225 1
1 921 . 2 1 1 A 70 70 GLN CB C 70 28.100 28.275 -0.175 1
1 923 . 2 1 1 A 70 70 GLN N N 70 130.070 126.583 3.487 1
1 925 . 2 1 1 A 71 71 GLY H H 71 8.783 8.195 0.588 1
1 926 . 2 1 1 A 71 71 GLY HA2 H 71 4.598 4.061 0.537 1
1 927 . 2 1 1 A 71 71 GLY HA3 H 71 3.677 4.080 -0.403 1
1 928 . 2 1 1 A 71 71 GLY C C 71 173.924 174.310 -0.386 1
1 929 . 2 1 1 A 71 71 GLY CA C 71 44.941 45.539 -0.598 1
1 930 . 2 1 1 A 71 71 GLY N N 71 113.801 107.731 6.070 1
1 931 . 2 1 1 A 72 72 VAL H H 72 7.805 7.525 0.280 1
1 932 . 2 1 1 A 72 72 VAL HA H 72 3.723 3.839 -0.116 1
1 940 . 2 1 1 A 72 72 VAL C C 72 176.502 176.315 0.187 1
1 941 . 2 1 1 A 72 72 VAL CA C 72 64.020 62.435 1.585 1
1 942 . 2 1 1 A 72 72 VAL CB C 72 32.003 32.475 -0.472 1
1 945 . 2 1 1 A 72 72 VAL N N 72 120.334 120.516 -0.182 1
1 946 . 2 1 1 A 73 73 PHE H H 73 9.522 7.592 1.930 1
1 947 . 2 1 1 A 73 73 PHE HA H 73 5.109 4.956 0.153 1
1 955 . 2 1 1 A 73 73 PHE C C 73 176.502 174.405 2.097 1
1 956 . 2 1 1 A 73 73 PHE CA C 73 56.354 56.704 -0.350 1
1 957 . 2 1 1 A 73 73 PHE CB C 73 39.615 40.696 -1.081 1
1 961 . 2 1 1 A 73 73 PHE N N 73 127.542 121.260 6.282 1
1 962 . 2 1 1 A 74 74 THR H H 74 7.972 7.422 0.550 1
1 963 . 2 1 1 A 74 74 THR HA H 74 4.736 4.866 -0.130 1
1 968 . 2 1 1 A 74 74 THR C C 74 172.400 173.518 -1.118 1
1 969 . 2 1 1 A 74 74 THR CA C 74 60.604 60.678 -0.074 1
1 970 . 2 1 1 A 74 74 THR CB C 74 72.576 71.302 1.274 1
1 972 . 2 1 1 A 74 74 THR N N 74 111.809 109.744 2.065 1
1 973 . 2 1 1 A 75 75 VAL H H 75 8.584 8.845 -0.261 1
1 974 . 2 1 1 A 75 75 VAL HA H 75 4.878 4.913 -0.035 1
1 982 . 2 1 1 A 75 75 VAL C C 75 174.510 174.876 -0.366 1
1 983 . 2 1 1 A 75 75 VAL CA C 75 61.844 61.664 0.180 1
1 984 . 2 1 1 A 75 75 VAL CB C 75 34.500 34.112 0.388 1
1 987 . 2 1 1 A 75 75 VAL N N 75 122.820 125.177 -2.357 1
1 988 . 2 1 1 A 76 76 GLU H H 76 9.029 8.651 0.378 1
1 989 . 2 1 1 A 76 76 GLU HA H 76 4.861 4.924 -0.063 1
1 994 . 2 1 1 A 76 76 GLU C C 76 174.510 174.698 -0.188 1
1 995 . 2 1 1 A 76 76 GLU CA C 76 53.757 54.331 -0.574 1
1 996 . 2 1 1 A 76 76 GLU CB C 76 34.230 33.773 0.457 1
1 998 . 2 1 1 A 76 76 GLU N N 76 124.572 125.559 -0.987 1
1 999 . 2 1 1 A 77 77 ARG H H 77 8.962 8.514 0.448 1
1 1000 . 2 1 1 A 77 77 ARG HA H 77 4.736 4.783 -0.047 1
1 1008 . 2 1 1 A 77 77 ARG C C 77 176.502 175.944 0.558 1
1 1009 . 2 1 1 A 77 77 ARG CA C 77 55.521 56.325 -0.804 1
1 1010 . 2 1 1 A 77 77 ARG CB C 77 30.893 31.324 -0.431 1
1 1013 . 2 1 1 A 77 77 ARG N N 77 122.875 122.723 0.152 1
1 1015 . 2 1 1 A 78 78 LEU H H 78 8.252 9.177 -0.925 1
1 1016 . 2 1 1 A 78 78 LEU HA H 78 4.505 4.536 -0.031 1
1 1026 . 2 1 1 A 78 78 LEU C C 78 176.737 177.965 -1.228 1
1 1027 . 2 1 1 A 78 78 LEU CA C 78 53.875 54.293 -0.418 1
1 1028 . 2 1 1 A 78 78 LEU CB C 78 43.228 41.079 2.149 1
1 1032 . 2 1 1 A 78 78 LEU N N 78 127.062 127.015 0.047 1
1 1033 . 2 1 1 A 79 79 SER H H 79 8.635 8.860 -0.225 1
1 1034 . 2 1 1 A 79 79 SER HA H 79 4.492 4.271 0.221 1
1 1037 . 2 1 1 A 79 79 SER C C 79 174.041 174.443 -0.402 1
1 1038 . 2 1 1 A 79 79 SER CA C 79 58.465 61.212 -2.747 1
1 1039 . 2 1 1 A 79 79 SER CB C 79 63.993 62.802 1.191 1
1 1040 . 2 1 1 A 79 79 SER N N 79 118.446 120.380 -1.934 1
1 1041 . 2 1 1 A 80 80 ASN H H 80 8.421 7.771 0.650 1
1 1042 . 2 1 1 A 80 80 ASN HA H 80 4.668 4.831 -0.163 1
1 1047 . 2 1 1 A 80 80 ASN C C 80 175.096 174.603 0.493 1
1 1048 . 2 1 1 A 80 80 ASN CA C 80 53.300 53.434 -0.134 1
1 1049 . 2 1 1 A 80 80 ASN CB C 80 38.300 39.497 -1.197 1
1 1050 . 2 1 1 A 80 80 ASN N N 80 119.339 119.989 -0.650 1
1 1052 . 2 1 1 A 81 81 LEU H H 81 8.256 8.883 -0.627 1
1 1053 . 2 1 1 A 81 81 LEU HA H 81 4.258 5.027 -0.769 1
1 1063 . 2 1 1 A 81 81 LEU C C 81 177.323 177.133 0.190 1
1 1064 . 2 1 1 A 81 81 LEU CA C 81 55.263 53.871 1.392 1
1 1065 . 2 1 1 A 81 81 LEU CB C 81 41.756 44.618 -2.862 1
1 1069 . 2 1 1 A 81 81 LEU N N 81 121.238 126.958 -5.720 1
1 1070 . 2 1 1 A 82 82 GLU H H 82 8.282 9.220 -0.938 1
1 1071 . 2 1 1 A 82 82 GLU HA H 82 4.169 4.289 -0.120 1
1 1076 . 2 1 1 A 82 82 GLU C C 82 176.385 176.301 0.084 1
1 1077 . 2 1 1 A 82 82 GLU CA C 82 56.762 57.500 -0.738 1
1 1078 . 2 1 1 A 82 82 GLU CB C 82 29.997 28.707 1.290 1
1 1080 . 2 1 1 A 82 82 GLU N N 82 120.037 124.386 -4.349 1
1 1081 . 2 1 1 A 83 83 HIS H H 83 8.195 8.221 -0.026 1
1 1082 . 2 1 1 A 83 83 HIS HA H 83 4.535 4.712 -0.177 1
1 1087 . 2 1 1 A 83 83 HIS C C 83 175.081 175.676 -0.595 1
1 1088 . 2 1 1 A 83 83 HIS CA C 83 55.951 56.210 -0.259 1
1 1089 . 2 1 1 A 83 83 HIS CB C 83 30.366 29.950 0.416 1
1 1 . 3 1 1 A 2 2 THR HA H 2 3.782 4.827 -1.045 1
1 6 . 3 1 1 A 2 2 THR C C 2 171.502 173.143 -1.641 1
1 7 . 3 1 1 A 2 2 THR CA C 2 61.906 60.670 1.236 1
1 8 . 3 1 1 A 2 2 THR CB C 2 69.449 69.993 -0.544 1
1 10 . 3 1 1 A 3 3 ASP H H 3 8.636 8.559 0.077 1
1 11 . 3 1 1 A 3 3 ASP HA H 3 4.803 4.900 -0.097 1
1 14 . 3 1 1 A 3 3 ASP C C 3 175.330 176.414 -1.084 1
1 15 . 3 1 1 A 3 3 ASP CA C 3 54.454 54.835 -0.381 1
1 16 . 3 1 1 A 3 3 ASP CB C 3 41.426 41.098 0.328 1
1 17 . 3 1 1 A 3 3 ASP N N 3 125.850 128.273 -2.423 1
1 18 . 3 1 1 A 4 4 PHE H H 4 8.608 8.885 -0.277 1
1 19 . 3 1 1 A 4 4 PHE HA H 4 5.042 5.852 -0.810 1
1 27 . 3 1 1 A 4 4 PHE C C 4 172.986 172.987 -0.001 1
1 28 . 3 1 1 A 4 4 PHE CA C 4 55.505 54.909 0.596 1
1 29 . 3 1 1 A 4 4 PHE CB C 4 41.288 42.309 -1.021 1
1 33 . 3 1 1 A 4 4 PHE N N 4 117.566 119.190 -1.624 1
1 34 . 3 1 1 A 5 5 LEU H H 5 8.498 8.480 0.018 1
1 35 . 3 1 1 A 5 5 LEU HA H 5 4.532 3.879 0.653 1
1 45 . 3 1 1 A 5 5 LEU C C 5 175.330 174.955 0.375 1
1 46 . 3 1 1 A 5 5 LEU CA C 5 54.222 53.810 0.412 1
1 47 . 3 1 1 A 5 5 LEU CB C 5 42.932 42.324 0.608 1
1 51 . 3 1 1 A 5 5 LEU N N 5 123.329 122.246 1.083 1
1 52 . 3 1 1 A 6 6 ALA H H 6 9.325 8.666 0.659 1
1 53 . 3 1 1 A 6 6 ALA HA H 6 4.769 5.168 -0.399 1
1 57 . 3 1 1 A 6 6 ALA C C 6 174.744 177.067 -2.323 1
1 58 . 3 1 1 A 6 6 ALA CA C 6 50.500 50.808 -0.308 1
1 59 . 3 1 1 A 6 6 ALA CB C 6 23.746 21.196 2.550 1
1 60 . 3 1 1 A 6 6 ALA N N 6 129.530 130.460 -0.930 1
1 61 . 3 1 1 A 7 7 GLY H H 7 8.639 8.601 0.038 1
1 62 . 3 1 1 A 7 7 GLY HA2 H 7 5.721 4.374 1.347 1
1 63 . 3 1 1 A 7 7 GLY HA3 H 7 3.508 4.395 -0.887 1
1 64 . 3 1 1 A 7 7 GLY C C 7 173.221 172.008 1.213 1
1 65 . 3 1 1 A 7 7 GLY CA C 7 45.351 44.167 1.184 1
1 66 . 3 1 1 A 7 7 GLY N N 7 106.888 106.278 0.610 1
1 67 . 3 1 1 A 8 8 ILE H H 8 9.356 9.001 0.355 1
1 68 . 3 1 1 A 8 8 ILE HA H 8 4.957 5.144 -0.187 1
1 78 . 3 1 1 A 8 8 ILE C C 8 172.986 173.772 -0.786 1
1 79 . 3 1 1 A 8 8 ILE CA C 8 59.551 59.952 -0.401 1
1 80 . 3 1 1 A 8 8 ILE CB C 8 43.405 42.456 0.949 1
1 84 . 3 1 1 A 8 8 ILE N N 8 122.820 121.998 0.822 1
1 85 . 3 1 1 A 9 9 ARG H H 9 9.364 9.471 -0.107 1
1 86 . 3 1 1 A 9 9 ARG HA H 9 5.609 5.167 0.442 1
1 94 . 3 1 1 A 9 9 ARG C C 9 175.096 174.575 0.521 1
1 95 . 3 1 1 A 9 9 ARG CA C 9 54.192 54.478 -0.286 1
1 96 . 3 1 1 A 9 9 ARG CB C 9 33.400 33.577 -0.177 1
1 99 . 3 1 1 A 9 9 ARG N N 9 126.323 126.999 -0.676 1
1 101 . 3 1 1 A 10 10 ILE H H 10 9.479 9.197 0.282 1
1 102 . 3 1 1 A 10 10 ILE HA H 10 5.089 4.980 0.109 1
1 112 . 3 1 1 A 10 10 ILE C C 10 174.275 174.558 -0.283 1
1 113 . 3 1 1 A 10 10 ILE CA C 10 60.127 59.977 0.150 1
1 114 . 3 1 1 A 10 10 ILE CB C 10 42.651 40.322 2.329 1
1 118 . 3 1 1 A 10 10 ILE N N 10 128.583 126.519 2.064 1
1 119 . 3 1 1 A 11 11 VAL H H 11 8.581 8.797 -0.216 1
1 120 . 3 1 1 A 11 11 VAL HA H 11 4.793 4.937 -0.144 1
1 128 . 3 1 1 A 11 11 VAL C C 11 175.827 174.667 1.160 1
1 129 . 3 1 1 A 11 11 VAL CA C 11 60.201 60.387 -0.186 1
1 130 . 3 1 1 A 11 11 VAL CB C 11 34.522 33.449 1.073 1
1 133 . 3 1 1 A 11 11 VAL N N 11 126.323 128.248 -1.925 1
1 134 . 3 1 1 A 12 12 GLY H H 12 7.713 7.242 0.471 1
1 135 . 3 1 1 A 12 12 GLY HA2 H 12 3.434 2.952 0.482 1
1 136 . 3 1 1 A 12 12 GLY HA3 H 12 3.563 3.729 -0.166 1
1 137 . 3 1 1 A 12 12 GLY C C 12 170.332 172.680 -2.348 1
1 138 . 3 1 1 A 12 12 GLY CA C 12 45.842 43.567 2.275 1
1 139 . 3 1 1 A 12 12 GLY N N 12 113.216 113.600 -0.384 1
1 140 . 3 1 1 A 13 13 GLU H H 13 8.180 8.348 -0.168 1
1 141 . 3 1 1 A 13 13 GLU HA H 13 4.387 4.388 -0.001 1
1 146 . 3 1 1 A 13 13 GLU C C 13 175.409 175.717 -0.308 1
1 147 . 3 1 1 A 13 13 GLU CA C 13 55.865 56.880 -1.015 1
1 148 . 3 1 1 A 13 13 GLU CB C 13 31.102 30.149 0.953 1
1 150 . 3 1 1 A 13 13 GLU N N 13 119.035 118.362 0.673 1
1 151 . 3 1 1 A 14 14 ASP H H 14 8.095 8.501 -0.406 1
1 152 . 3 1 1 A 14 14 ASP HA H 14 4.888 4.955 -0.067 1
1 155 . 3 1 1 A 14 14 ASP C C 14 174.991 174.908 0.083 1
1 156 . 3 1 1 A 14 14 ASP CA C 14 52.473 53.409 -0.936 1
1 157 . 3 1 1 A 14 14 ASP CB C 14 40.364 39.741 0.623 1
1 158 . 3 1 1 A 14 14 ASP N N 14 122.877 124.126 -1.249 1
1 159 . 3 1 1 A 15 15 LYS H H 15 7.345 8.407 -1.062 1
1 160 . 3 1 1 A 15 15 LYS HA H 15 4.550 4.560 -0.010 1
1 169 . 3 1 1 A 15 15 LYS C C 15 176.385 177.875 -1.490 1
1 170 . 3 1 1 A 15 15 LYS CA C 15 54.554 55.306 -0.752 1
1 171 . 3 1 1 A 15 15 LYS CB C 15 35.403 33.692 1.711 1
1 175 . 3 1 1 A 15 15 LYS N N 15 120.221 125.402 -5.181 1
1 176 . 3 1 1 A 16 16 ASN H H 16 9.025 8.987 0.038 1
1 177 . 3 1 1 A 16 16 ASN HA H 16 4.386 4.412 -0.026 1
1 182 . 3 1 1 A 16 16 ASN C C 16 175.916 176.399 -0.483 1
1 183 . 3 1 1 A 16 16 ASN CA C 16 54.966 55.906 -0.940 1
1 184 . 3 1 1 A 16 16 ASN CB C 16 37.810 37.537 0.273 1
1 185 . 3 1 1 A 16 16 ASN N N 16 119.785 120.659 -0.874 1
1 187 . 3 1 1 A 17 17 GLY H H 17 8.780 8.172 0.608 1
1 188 . 3 1 1 A 17 17 GLY HA2 H 17 4.125 3.944 0.181 1
1 189 . 3 1 1 A 17 17 GLY HA3 H 17 3.970 3.960 0.010 1
1 190 . 3 1 1 A 17 17 GLY C C 17 176.151 175.499 0.652 1
1 191 . 3 1 1 A 17 17 GLY CA C 17 45.996 45.512 0.484 1
1 192 . 3 1 1 A 17 17 GLY N N 17 110.504 107.409 3.095 1
1 193 . 3 1 1 A 18 18 MET H H 18 7.989 7.725 0.264 1
1 194 . 3 1 1 A 18 18 MET HA H 18 4.359 4.178 0.181 1
1 202 . 3 1 1 A 18 18 MET C C 18 178.589 178.124 0.465 1
1 203 . 3 1 1 A 18 18 MET CA C 18 57.405 58.246 -0.841 1
1 204 . 3 1 1 A 18 18 MET CB C 18 31.847 33.609 -1.762 1
1 207 . 3 1 1 A 18 18 MET N N 18 121.860 119.848 2.012 1
1 208 . 3 1 1 A 19 19 THR H H 19 8.807 7.650 1.157 1
1 209 . 3 1 1 A 19 19 THR HA H 19 3.233 3.240 -0.007 1
1 215 . 3 1 1 A 19 19 THR C C 19 177.909 177.008 0.901 1
1 216 . 3 1 1 A 19 19 THR CA C 19 65.516 65.706 -0.190 1
1 217 . 3 1 1 A 19 19 THR CB C 19 67.000 68.075 -1.075 1
1 219 . 3 1 1 A 19 19 THR N N 19 111.351 112.188 -0.837 1
1 220 . 3 1 1 A 20 20 ASN H H 20 7.936 7.950 -0.014 1
1 221 . 3 1 1 A 20 20 ASN HA H 20 4.083 4.417 -0.334 1
1 226 . 3 1 1 A 20 20 ASN C C 20 176.854 177.690 -0.836 1
1 227 . 3 1 1 A 20 20 ASN CA C 20 57.669 55.727 1.942 1
1 228 . 3 1 1 A 20 20 ASN CB C 20 36.625 38.363 -1.738 1
1 229 . 3 1 1 A 20 20 ASN N N 20 121.577 120.806 0.771 1
1 231 . 3 1 1 A 21 21 GLN H H 21 8.433 8.416 0.017 1
1 232 . 3 1 1 A 21 21 GLN HA H 21 4.046 4.004 0.042 1
1 239 . 3 1 1 A 21 21 GLN C C 21 179.550 178.254 1.296 1
1 240 . 3 1 1 A 21 21 GLN CA C 21 59.187 58.500 0.687 1
1 241 . 3 1 1 A 21 21 GLN CB C 21 28.512 27.749 0.763 1
1 243 . 3 1 1 A 21 21 GLN N N 21 120.250 117.197 3.053 1
1 245 . 3 1 1 A 22 22 ILE H H 22 8.779 8.016 0.763 1
1 246 . 3 1 1 A 22 22 ILE HA H 22 3.823 3.582 0.241 1
1 256 . 3 1 1 A 22 22 ILE C C 22 176.854 177.856 -1.002 1
1 257 . 3 1 1 A 22 22 ILE CA C 22 61.611 65.329 -3.718 1
1 258 . 3 1 1 A 22 22 ILE CB C 22 36.935 37.908 -0.973 1
1 262 . 3 1 1 A 22 22 ILE N N 22 119.497 121.390 -1.893 1
1 263 . 3 1 1 A 23 23 THR H H 23 7.478 7.703 -0.225 1
1 264 . 3 1 1 A 23 23 THR HA H 23 3.523 3.914 -0.391 1
1 270 . 3 1 1 A 23 23 THR C C 23 176.502 176.721 -0.219 1
1 271 . 3 1 1 A 23 23 THR CA C 23 67.006 66.486 0.520 1
1 272 . 3 1 1 A 23 23 THR CB C 23 67.305 68.296 -0.991 1
1 274 . 3 1 1 A 23 23 THR N N 23 115.702 116.158 -0.456 1
1 275 . 3 1 1 A 24 24 GLY H H 24 8.011 8.147 -0.136 1
1 276 . 3 1 1 A 24 24 GLY HA2 H 24 3.880 3.638 0.242 1
1 277 . 3 1 1 A 24 24 GLY HA3 H 24 3.672 3.641 0.031 1
1 278 . 3 1 1 A 24 24 GLY C C 24 176.385 175.399 0.986 1
1 279 . 3 1 1 A 24 24 GLY CA C 24 47.163 47.361 -0.198 1
1 280 . 3 1 1 A 24 24 GLY N N 24 110.691 107.946 2.745 1
1 281 . 3 1 1 A 25 25 VAL H H 25 7.898 8.661 -0.763 1
1 282 . 3 1 1 A 25 25 VAL HA H 25 3.473 3.609 -0.136 1
1 290 . 3 1 1 A 25 25 VAL C C 25 178.286 177.554 0.732 1
1 291 . 3 1 1 A 25 25 VAL CA C 25 66.432 65.743 0.689 1
1 292 . 3 1 1 A 25 25 VAL CB C 25 31.925 31.801 0.124 1
1 295 . 3 1 1 A 25 25 VAL N N 25 123.276 122.455 0.821 1
1 296 . 3 1 1 A 26 26 ILE H H 26 7.646 8.010 -0.364 1
1 297 . 3 1 1 A 26 26 ILE HA H 26 2.698 2.109 0.589 1
1 307 . 3 1 1 A 26 26 ILE C C 26 177.440 177.848 -0.408 1
1 308 . 3 1 1 A 26 26 ILE CA C 26 64.163 64.626 -0.463 1
1 309 . 3 1 1 A 26 26 ILE CB C 26 37.876 37.495 0.381 1
1 313 . 3 1 1 A 26 26 ILE N N 26 116.606 120.586 -3.980 1
1 314 . 3 1 1 A 27 27 SER H H 27 7.783 7.837 -0.054 1
1 315 . 3 1 1 A 27 27 SER HA H 27 3.908 4.174 -0.266 1
1 319 . 3 1 1 A 27 27 SER C C 27 175.330 175.852 -0.522 1
1 320 . 3 1 1 A 27 27 SER CA C 27 61.465 61.369 0.096 1
1 321 . 3 1 1 A 27 27 SER CB C 27 63.388 62.700 0.688 1
1 322 . 3 1 1 A 27 27 SER N N 27 112.932 115.380 -2.448 1
1 323 . 3 1 1 A 28 28 LYS H H 28 7.008 7.355 -0.347 1
1 324 . 3 1 1 A 28 28 LYS HA H 28 4.234 4.267 -0.033 1
1 333 . 3 1 1 A 28 28 LYS C C 28 177.323 177.009 0.314 1
1 334 . 3 1 1 A 28 28 LYS CA C 28 56.161 56.699 -0.538 1
1 335 . 3 1 1 A 28 28 LYS CB C 28 32.742 32.484 0.258 1
1 339 . 3 1 1 A 28 28 LYS N N 28 118.978 119.034 -0.056 1
1 340 . 3 1 1 A 29 29 PHE H H 29 7.691 7.450 0.241 1
1 341 . 3 1 1 A 29 29 PHE HA H 29 4.576 4.518 0.058 1
1 349 . 3 1 1 A 29 29 PHE C C 29 175.841 175.427 0.414 1
1 350 . 3 1 1 A 29 29 PHE CA C 29 56.366 58.334 -1.968 1
1 351 . 3 1 1 A 29 29 PHE CB C 29 38.723 39.777 -1.054 1
1 355 . 3 1 1 A 29 29 PHE N N 29 120.755 119.836 0.919 1
1 356 . 3 1 1 A 30 30 ASP H H 30 8.388 8.952 -0.564 1
1 357 . 3 1 1 A 30 30 ASP HA H 30 4.650 4.860 -0.210 1
1 360 . 3 1 1 A 30 30 ASP C C 30 175.096 175.341 -0.245 1
1 361 . 3 1 1 A 30 30 ASP CA C 30 53.331 53.161 0.170 1
1 362 . 3 1 1 A 30 30 ASP CB C 30 38.691 40.599 -1.908 1
1 363 . 3 1 1 A 30 30 ASP N N 30 122.230 121.971 0.259 1
1 364 . 3 1 1 A 31 31 THR H H 31 7.663 7.626 0.037 1
1 365 . 3 1 1 A 31 31 THR HA H 31 4.558 4.697 -0.139 1
1 370 . 3 1 1 A 31 31 THR C C 31 173.297 172.108 1.189 1
1 371 . 3 1 1 A 31 31 THR CA C 31 59.333 60.234 -0.901 1
1 372 . 3 1 1 A 31 31 THR CB C 31 70.319 71.549 -1.230 1
1 374 . 3 1 1 A 31 31 THR N N 31 112.538 114.493 -1.955 1
1 375 . 3 1 1 A 32 32 ASN H H 32 8.308 8.915 -0.607 1
1 376 . 3 1 1 A 32 32 ASN HA H 32 4.910 5.059 -0.149 1
1 381 . 3 1 1 A 32 32 ASN C C 32 175.447 175.452 -0.005 1
1 382 . 3 1 1 A 32 32 ASN CA C 32 52.732 52.484 0.248 1
1 383 . 3 1 1 A 32 32 ASN CB C 32 39.337 40.297 -0.960 1
1 384 . 3 1 1 A 32 32 ASN N N 32 121.973 125.872 -3.899 1
1 386 . 3 1 1 A 33 33 ILE H H 33 8.320 8.898 -0.578 1
1 387 . 3 1 1 A 33 33 ILE HA H 33 3.846 4.123 -0.277 1
1 397 . 3 1 1 A 33 33 ILE C C 33 175.230 175.920 -0.690 1
1 398 . 3 1 1 A 33 33 ILE CA C 33 63.300 62.389 0.911 1
1 399 . 3 1 1 A 33 33 ILE CB C 33 39.167 37.712 1.455 1
1 403 . 3 1 1 A 33 33 ILE N N 33 125.984 126.952 -0.968 1
1 404 . 3 1 1 A 34 34 ARG H H 34 8.858 8.819 0.039 1
1 405 . 3 1 1 A 34 34 ARG HA H 34 4.538 4.561 -0.023 1
1 413 . 3 1 1 A 34 34 ARG C C 34 175.565 176.523 -0.958 1
1 414 . 3 1 1 A 34 34 ARG CA C 34 54.900 57.151 -2.251 1
1 415 . 3 1 1 A 34 34 ARG CB C 34 30.275 31.682 -1.407 1
1 418 . 3 1 1 A 34 34 ARG N N 34 126.537 127.852 -1.315 1
1 420 . 3 1 1 A 35 35 THR H H 35 7.698 7.550 0.148 1
1 421 . 3 1 1 A 35 35 THR HA H 35 5.311 5.062 0.249 1
1 426 . 3 1 1 A 35 35 THR C C 35 173.807 172.623 1.184 1
1 427 . 3 1 1 A 35 35 THR CA C 35 61.040 61.063 -0.023 1
1 428 . 3 1 1 A 35 35 THR CB C 35 74.055 73.547 0.508 1
1 430 . 3 1 1 A 35 35 THR N N 35 111.895 111.347 0.548 1
1 431 . 3 1 1 A 36 36 ILE H H 36 8.907 8.565 0.342 1
1 432 . 3 1 1 A 36 36 ILE HA H 36 4.753 5.347 -0.594 1
1 442 . 3 1 1 A 36 36 ILE C C 36 174.275 173.307 0.968 1
1 443 . 3 1 1 A 36 36 ILE CA C 36 61.400 60.267 1.133 1
1 444 . 3 1 1 A 36 36 ILE CB C 36 42.569 41.828 0.741 1
1 448 . 3 1 1 A 36 36 ILE N N 36 123.257 123.490 -0.233 1
1 449 . 3 1 1 A 37 37 VAL H H 37 8.933 8.867 0.066 1
1 450 . 3 1 1 A 37 37 VAL HA H 37 4.903 4.629 0.274 1
1 458 . 3 1 1 A 37 37 VAL C C 37 174.684 173.948 0.736 1
1 459 . 3 1 1 A 37 37 VAL CA C 37 62.100 61.540 0.560 1
1 460 . 3 1 1 A 37 37 VAL CB C 37 34.186 34.070 0.116 1
1 463 . 3 1 1 A 37 37 VAL N N 37 126.323 128.886 -2.563 1
1 464 . 3 1 1 A 38 38 LEU H H 38 9.751 8.975 0.776 1
1 465 . 3 1 1 A 38 38 LEU HA H 38 5.636 5.346 0.290 1
1 475 . 3 1 1 A 38 38 LEU C C 38 174.510 175.293 -0.783 1
1 476 . 3 1 1 A 38 38 LEU CA C 38 53.810 53.848 -0.038 1
1 477 . 3 1 1 A 38 38 LEU CB C 38 45.655 44.331 1.324 1
1 481 . 3 1 1 A 38 38 LEU N N 38 133.332 129.984 3.348 1
1 482 . 3 1 1 A 39 39 ASN H H 39 8.952 8.711 0.241 1
1 483 . 3 1 1 A 39 39 ASN HA H 39 5.450 5.551 -0.101 1
1 488 . 3 1 1 A 39 39 ASN C C 39 172.869 173.420 -0.551 1
1 489 . 3 1 1 A 39 39 ASN CA C 39 53.137 51.324 1.813 1
1 490 . 3 1 1 A 39 39 ASN CB C 39 43.287 41.687 1.600 1
1 491 . 3 1 1 A 39 39 ASN N N 39 123.262 123.682 -0.420 1
1 493 . 3 1 1 A 40 40 ALA H H 40 8.467 9.086 -0.619 1
1 494 . 3 1 1 A 40 40 ALA HA H 40 5.345 5.329 0.016 1
1 498 . 3 1 1 A 40 40 ALA C C 40 175.447 177.033 -1.586 1
1 499 . 3 1 1 A 40 40 ALA CA C 40 51.370 51.075 0.295 1
1 500 . 3 1 1 A 40 40 ALA CB C 40 20.975 20.465 0.510 1
1 501 . 3 1 1 A 40 40 ALA N N 40 127.058 126.221 0.837 1
1 502 . 3 1 1 A 41 41 LYS H H 41 8.865 8.819 0.046 1
1 503 . 3 1 1 A 41 41 LYS HA H 41 4.435 4.875 -0.440 1
1 512 . 3 1 1 A 41 41 LYS C C 41 175.565 175.128 0.437 1
1 513 . 3 1 1 A 41 41 LYS CA C 41 56.736 54.682 2.054 1
1 514 . 3 1 1 A 41 41 LYS CB C 41 34.811 35.479 -0.668 1
1 518 . 3 1 1 A 41 41 LYS N N 41 121.996 122.082 -0.086 1
1 519 . 3 1 1 A 42 42 ASP H H 42 9.197 9.496 -0.299 1
1 520 . 3 1 1 A 42 42 ASP HA H 42 4.373 4.358 0.015 1
1 523 . 3 1 1 A 42 42 ASP C C 42 175.447 176.162 -0.715 1
1 524 . 3 1 1 A 42 42 ASP CA C 42 55.547 55.362 0.185 1
1 525 . 3 1 1 A 42 42 ASP CB C 42 39.485 39.254 0.231 1
1 526 . 3 1 1 A 42 42 ASP N N 42 122.213 120.922 1.291 1
1 527 . 3 1 1 A 43 43 GLY H H 43 9.306 8.573 0.733 1
1 528 . 3 1 1 A 43 43 GLY HA2 H 43 4.443 3.900 0.543 1
1 529 . 3 1 1 A 43 43 GLY HA3 H 43 3.816 3.909 -0.093 1
1 530 . 3 1 1 A 43 43 GLY C C 43 174.979 173.913 1.066 1
1 531 . 3 1 1 A 43 43 GLY CA C 43 45.661 45.360 0.301 1
1 532 . 3 1 1 A 43 43 GLY N N 43 104.610 104.749 -0.139 1
1 533 . 3 1 1 A 44 44 ILE H H 44 8.117 8.002 0.115 1
1 534 . 3 1 1 A 44 44 ILE HA H 44 5.112 4.805 0.307 1
1 544 . 3 1 1 A 44 44 ILE C C 44 175.213 174.952 0.261 1
1 545 . 3 1 1 A 44 44 ILE CA C 44 59.040 59.426 -0.386 1
1 546 . 3 1 1 A 44 44 ILE CB C 44 42.013 41.495 0.518 1
1 550 . 3 1 1 A 44 44 ILE N N 44 122.284 121.451 0.833 1
1 551 . 3 1 1 A 45 45 PHE H H 45 8.955 8.339 0.616 1
1 552 . 3 1 1 A 45 45 PHE HA H 45 5.740 6.138 -0.398 1
1 560 . 3 1 1 A 45 45 PHE C C 45 172.283 173.535 -1.252 1
1 561 . 3 1 1 A 45 45 PHE CA C 45 55.872 55.004 0.868 1
1 562 . 3 1 1 A 45 45 PHE CB C 45 42.740 42.426 0.314 1
1 566 . 3 1 1 A 45 45 PHE N N 45 121.747 122.225 -0.478 1
1 567 . 3 1 1 A 46 46 THR H H 46 8.659 9.096 -0.437 1
1 568 . 3 1 1 A 46 46 THR HA H 46 5.111 5.298 -0.187 1
1 574 . 3 1 1 A 46 46 THR C C 46 174.041 172.450 1.591 1
1 575 . 3 1 1 A 46 46 THR CA C 46 59.750 59.976 -0.226 1
1 576 . 3 1 1 A 46 46 THR CB C 46 71.380 70.600 0.780 1
1 578 . 3 1 1 A 46 46 THR N N 46 113.420 116.722 -3.302 1
1 579 . 3 1 1 A 47 47 CYS H H 47 9.619 9.466 0.153 1
1 580 . 3 1 1 A 47 47 CYS HA H 47 5.562 5.126 0.436 1
1 584 . 3 1 1 A 47 47 CYS C C 47 172.283 173.214 -0.931 1
1 585 . 3 1 1 A 47 47 CYS CA C 47 56.776 57.678 -0.902 1
1 586 . 3 1 1 A 47 47 CYS CB C 47 29.112 28.642 0.470 1
1 587 . 3 1 1 A 47 47 CYS N N 47 124.781 129.732 -4.951 1
1 588 . 3 1 1 A 48 48 ASN H H 48 9.293 9.566 -0.273 1
1 589 . 3 1 1 A 48 48 ASN HA H 48 5.629 5.348 0.281 1
1 594 . 3 1 1 A 48 48 ASN C C 48 173.455 173.877 -0.422 1
1 595 . 3 1 1 A 48 48 ASN CA C 48 51.962 52.486 -0.524 1
1 596 . 3 1 1 A 48 48 ASN CB C 48 40.059 39.335 0.724 1
1 597 . 3 1 1 A 48 48 ASN N N 48 129.520 125.734 3.786 1
1 599 . 3 1 1 A 49 49 LEU H H 49 9.435 9.179 0.256 1
1 600 . 3 1 1 A 49 49 LEU HA H 49 5.158 4.992 0.166 1
1 610 . 3 1 1 A 49 49 LEU C C 49 174.510 174.572 -0.062 1
1 611 . 3 1 1 A 49 49 LEU CA C 49 53.178 53.625 -0.447 1
1 612 . 3 1 1 A 49 49 LEU CB C 49 46.402 44.717 1.685 1
1 616 . 3 1 1 A 49 49 LEU N N 49 125.541 127.058 -1.517 1
1 617 . 3 1 1 A 50 50 MET H H 50 8.978 9.080 -0.102 1
1 618 . 3 1 1 A 50 50 MET HA H 50 5.723 5.351 0.372 1
1 626 . 3 1 1 A 50 50 MET C C 50 175.682 174.793 0.889 1
1 627 . 3 1 1 A 50 50 MET CA C 50 54.073 54.435 -0.362 1
1 628 . 3 1 1 A 50 50 MET CB C 50 33.643 35.394 -1.751 1
1 631 . 3 1 1 A 50 50 MET N N 50 123.131 124.934 -1.803 1
1 632 . 3 1 1 A 51 51 ILE H H 51 9.056 8.842 0.214 1
1 633 . 3 1 1 A 51 51 ILE HA H 51 5.044 4.957 0.087 1
1 643 . 3 1 1 A 51 51 ILE C C 51 173.689 174.062 -0.373 1
1 644 . 3 1 1 A 51 51 ILE CA C 51 58.495 59.109 -0.614 1
1 645 . 3 1 1 A 51 51 ILE CB C 51 41.447 42.159 -0.712 1
1 649 . 3 1 1 A 51 51 ILE N N 51 118.753 118.780 -0.027 1
1 650 . 3 1 1 A 52 52 PHE H H 52 8.324 8.976 -0.652 1
1 651 . 3 1 1 A 52 52 PHE HA H 52 5.345 5.093 0.252 1
1 659 . 3 1 1 A 52 52 PHE C C 52 176.084 175.612 0.472 1
1 660 . 3 1 1 A 52 52 PHE CA C 52 56.478 57.276 -0.798 1
1 661 . 3 1 1 A 52 52 PHE CB C 52 40.520 40.808 -0.288 1
1 665 . 3 1 1 A 52 52 PHE N N 52 120.910 122.182 -1.272 1
1 666 . 3 1 1 A 53 53 VAL H H 53 8.865 8.235 0.630 1
1 667 . 3 1 1 A 53 53 VAL HA H 53 4.663 4.635 0.028 1
1 675 . 3 1 1 A 53 53 VAL C C 53 174.812 175.588 -0.776 1
1 676 . 3 1 1 A 53 53 VAL CA C 53 58.881 58.959 -0.078 1
1 677 . 3 1 1 A 53 53 VAL CB C 53 35.707 34.928 0.779 1
1 680 . 3 1 1 A 53 53 VAL N N 53 118.244 115.405 2.839 1
1 681 . 3 1 1 A 54 54 LYS H H 54 8.335 8.697 -0.362 1
1 682 . 3 1 1 A 54 54 LYS HA H 54 4.324 4.302 0.022 1
1 691 . 3 1 1 A 54 54 LYS C C 54 176.655 176.482 0.173 1
1 692 . 3 1 1 A 54 54 LYS CA C 54 58.039 57.776 0.263 1
1 693 . 3 1 1 A 54 54 LYS CB C 54 33.974 33.297 0.677 1
1 697 . 3 1 1 A 54 54 LYS N N 54 120.334 119.759 0.575 1
1 698 . 3 1 1 A 55 55 ASN H H 55 7.235 7.782 -0.547 1
1 699 . 3 1 1 A 55 55 ASN HA H 55 4.888 5.291 -0.403 1
1 704 . 3 1 1 A 55 55 ASN C C 55 175.083 175.946 -0.863 1
1 705 . 3 1 1 A 55 55 ASN CA C 55 52.173 52.020 0.153 1
1 706 . 3 1 1 A 55 55 ASN CB C 55 39.333 41.991 -2.658 1
1 707 . 3 1 1 A 55 55 ASN N N 55 108.018 117.397 -9.379 1
1 709 . 3 1 1 A 56 56 THR H H 56 8.865 8.866 -0.001 1
1 710 . 3 1 1 A 56 56 THR HA H 56 4.036 4.254 -0.218 1
1 715 . 3 1 1 A 56 56 THR C C 56 178.637 175.830 2.807 1
1 716 . 3 1 1 A 56 56 THR CA C 56 65.800 65.322 0.478 1
1 717 . 3 1 1 A 56 56 THR CB C 56 68.341 68.722 -0.381 1
1 719 . 3 1 1 A 56 56 THR N N 56 113.338 116.655 -3.317 1
1 720 . 3 1 1 A 57 57 ASP H H 57 8.384 8.247 0.137 1
1 721 . 3 1 1 A 57 57 ASP HA H 57 4.467 4.488 -0.021 1
1 724 . 3 1 1 A 57 57 ASP CA C 57 57.400 57.447 -0.047 1
1 725 . 3 1 1 A 57 57 ASP CB C 57 39.938 40.052 -0.114 1
1 726 . 3 1 1 A 57 57 ASP N N 57 124.402 122.910 1.492 1
1 727 . 3 1 1 A 58 58 LYS H H 58 8.266 7.909 0.357 1
1 728 . 3 1 1 A 58 58 LYS HA H 58 4.172 4.060 0.112 1
1 740 . 3 1 1 A 58 58 LYS C C 58 178.378 178.663 -0.285 1
1 741 . 3 1 1 A 58 58 LYS CA C 58 57.695 59.484 -1.789 1
1 742 . 3 1 1 A 58 58 LYS CB C 58 31.763 31.965 -0.202 1
1 746 . 3 1 1 A 58 58 LYS N N 58 120.194 121.440 -1.246 1
1 747 . 3 1 1 A 59 59 LEU H H 59 7.302 7.545 -0.243 1
1 748 . 3 1 1 A 59 59 LEU HA H 59 3.907 3.947 -0.040 1
1 758 . 3 1 1 A 59 59 LEU C C 59 177.909 178.301 -0.392 1
1 759 . 3 1 1 A 59 59 LEU CA C 59 57.979 58.190 -0.211 1
1 760 . 3 1 1 A 59 59 LEU CB C 59 41.727 41.580 0.147 1
1 764 . 3 1 1 A 59 59 LEU N N 59 118.583 120.755 -2.172 1
1 765 . 3 1 1 A 60 60 THR H H 60 8.500 8.180 0.320 1
1 766 . 3 1 1 A 60 60 THR HA H 60 3.845 4.081 -0.236 1
1 771 . 3 1 1 A 60 60 THR C C 60 176.502 177.205 -0.703 1
1 772 . 3 1 1 A 60 60 THR CA C 60 66.691 65.441 1.250 1
1 773 . 3 1 1 A 60 60 THR CB C 60 68.390 68.512 -0.122 1
1 775 . 3 1 1 A 60 60 THR N N 60 115.462 111.734 3.728 1
1 776 . 3 1 1 A 61 61 THR H H 61 7.996 7.681 0.315 1
1 777 . 3 1 1 A 61 61 THR HA H 61 4.053 3.950 0.103 1
1 782 . 3 1 1 A 61 61 THR C C 61 176.502 176.487 0.015 1
1 783 . 3 1 1 A 61 61 THR CA C 61 66.420 67.038 -0.618 1
1 784 . 3 1 1 A 61 61 THR CB C 61 68.549 68.016 0.533 1
1 786 . 3 1 1 A 61 61 THR N N 61 117.698 116.427 1.271 1
1 787 . 3 1 1 A 62 62 LEU H H 62 7.717 7.652 0.065 1
1 788 . 3 1 1 A 62 62 LEU HA H 62 3.542 3.584 -0.042 1
1 798 . 3 1 1 A 62 62 LEU C C 62 178.612 179.120 -0.508 1
1 799 . 3 1 1 A 62 62 LEU CA C 62 57.988 57.599 0.389 1
1 800 . 3 1 1 A 62 62 LEU CB C 62 40.241 40.875 -0.634 1
1 804 . 3 1 1 A 62 62 LEU N N 62 122.534 120.932 1.602 1
1 805 . 3 1 1 A 63 63 MET H H 63 8.230 7.801 0.429 1
1 806 . 3 1 1 A 63 63 MET HA H 63 3.771 4.065 -0.294 1
1 814 . 3 1 1 A 63 63 MET C C 63 177.674 178.114 -0.440 1
1 815 . 3 1 1 A 63 63 MET CA C 63 60.699 58.879 1.820 1
1 816 . 3 1 1 A 63 63 MET CB C 63 33.024 32.491 0.533 1
1 819 . 3 1 1 A 63 63 MET N N 63 116.719 117.501 -0.782 1
1 820 . 3 1 1 A 64 64 ASP H H 64 8.263 8.006 0.257 1
1 821 . 3 1 1 A 64 64 ASP HA H 64 4.401 4.311 0.090 1
1 824 . 3 1 1 A 64 64 ASP C C 64 178.378 178.550 -0.172 1
1 825 . 3 1 1 A 64 64 ASP CA C 64 57.400 57.291 0.109 1
1 826 . 3 1 1 A 64 64 ASP CB C 64 40.703 41.913 -1.210 1
1 827 . 3 1 1 A 64 64 ASP N N 64 118.611 120.547 -1.936 1
1 828 . 3 1 1 A 65 65 LYS H H 65 7.755 7.733 0.022 1
1 829 . 3 1 1 A 65 65 LYS HA H 65 3.970 4.082 -0.112 1
1 838 . 3 1 1 A 65 65 LYS C C 65 179.922 179.397 0.525 1
1 839 . 3 1 1 A 65 65 LYS CA C 65 59.466 59.533 -0.067 1
1 840 . 3 1 1 A 65 65 LYS CB C 65 32.372 32.456 -0.084 1
1 844 . 3 1 1 A 65 65 LYS N N 65 118.452 117.922 0.530 1
1 845 . 3 1 1 A 66 66 LEU H H 66 7.768 8.172 -0.404 1
1 846 . 3 1 1 A 66 66 LEU HA H 66 4.066 4.229 -0.163 1
1 856 . 3 1 1 A 66 66 LEU C C 66 177.557 179.651 -2.094 1
1 857 . 3 1 1 A 66 66 LEU CA C 66 57.550 57.058 0.492 1
1 858 . 3 1 1 A 66 66 LEU CB C 66 43.218 41.769 1.449 1
1 862 . 3 1 1 A 66 66 LEU N N 66 118.471 119.794 -1.323 1
1 863 . 3 1 1 A 67 67 ARG H H 67 8.017 8.484 -0.467 1
1 864 . 3 1 1 A 67 67 ARG HA H 67 3.855 4.242 -0.387 1
1 872 . 3 1 1 A 67 67 ARG C C 67 177.440 177.671 -0.231 1
1 873 . 3 1 1 A 67 67 ARG CA C 67 58.584 58.251 0.333 1
1 874 . 3 1 1 A 67 67 ARG CB C 67 30.313 29.876 0.437 1
1 877 . 3 1 1 A 67 67 ARG N N 67 115.702 119.538 -3.836 1
1 879 . 3 1 1 A 68 68 LYS H H 68 7.168 7.772 -0.604 1
1 880 . 3 1 1 A 68 68 LYS HA H 68 4.198 4.328 -0.130 1
1 889 . 3 1 1 A 68 68 LYS C C 68 176.502 177.223 -0.721 1
1 890 . 3 1 1 A 68 68 LYS CA C 68 56.149 57.491 -1.342 1
1 891 . 3 1 1 A 68 68 LYS CB C 68 32.725 32.829 -0.104 1
1 895 . 3 1 1 A 68 68 LYS N N 68 115.213 117.477 -2.264 1
1 896 . 3 1 1 A 69 69 VAL H H 69 7.348 7.446 -0.098 1
1 897 . 3 1 1 A 69 69 VAL HA H 69 3.776 4.192 -0.416 1
1 905 . 3 1 1 A 69 69 VAL C C 69 175.916 177.568 -1.652 1
1 906 . 3 1 1 A 69 69 VAL CA C 69 63.134 62.999 0.135 1
1 907 . 3 1 1 A 69 69 VAL CB C 69 31.075 31.968 -0.893 1
1 910 . 3 1 1 A 69 69 VAL N N 69 123.611 120.170 3.441 1
1 911 . 3 1 1 A 70 70 GLN H H 70 8.632 8.760 -0.128 1
1 912 . 3 1 1 A 70 70 GLN HA H 70 4.072 4.117 -0.045 1
1 919 . 3 1 1 A 70 70 GLN C C 70 176.151 178.117 -1.966 1
1 920 . 3 1 1 A 70 70 GLN CA C 70 57.800 58.333 -0.533 1
1 921 . 3 1 1 A 70 70 GLN CB C 70 28.100 28.071 0.029 1
1 923 . 3 1 1 A 70 70 GLN N N 70 130.070 126.268 3.802 1
1 925 . 3 1 1 A 71 71 GLY H H 71 8.783 8.222 0.561 1
1 926 . 3 1 1 A 71 71 GLY HA2 H 71 4.598 4.044 0.554 1
1 927 . 3 1 1 A 71 71 GLY HA3 H 71 3.677 4.059 -0.382 1
1 928 . 3 1 1 A 71 71 GLY C C 71 173.924 174.303 -0.379 1
1 929 . 3 1 1 A 71 71 GLY CA C 71 44.941 45.675 -0.734 1
1 930 . 3 1 1 A 71 71 GLY N N 71 113.801 107.788 6.013 1
1 931 . 3 1 1 A 72 72 VAL H H 72 7.805 7.364 0.441 1
1 932 . 3 1 1 A 72 72 VAL HA H 72 3.723 3.792 -0.069 1
1 940 . 3 1 1 A 72 72 VAL C C 72 176.502 176.331 0.171 1
1 941 . 3 1 1 A 72 72 VAL CA C 72 64.020 62.428 1.592 1
1 942 . 3 1 1 A 72 72 VAL CB C 72 32.003 32.443 -0.440 1
1 945 . 3 1 1 A 72 72 VAL N N 72 120.334 120.503 -0.169 1
1 946 . 3 1 1 A 73 73 PHE H H 73 9.522 7.720 1.802 1
1 947 . 3 1 1 A 73 73 PHE HA H 73 5.109 4.904 0.205 1
1 955 . 3 1 1 A 73 73 PHE C C 73 176.502 174.498 2.004 1
1 956 . 3 1 1 A 73 73 PHE CA C 73 56.354 56.590 -0.236 1
1 957 . 3 1 1 A 73 73 PHE CB C 73 39.615 40.590 -0.975 1
1 961 . 3 1 1 A 73 73 PHE N N 73 127.542 121.669 5.873 1
1 962 . 3 1 1 A 74 74 THR H H 74 7.972 7.403 0.569 1
1 963 . 3 1 1 A 74 74 THR HA H 74 4.736 4.856 -0.120 1
1 968 . 3 1 1 A 74 74 THR C C 74 172.400 173.486 -1.086 1
1 969 . 3 1 1 A 74 74 THR CA C 74 60.604 60.620 -0.016 1
1 970 . 3 1 1 A 74 74 THR CB C 74 72.576 71.391 1.185 1
1 972 . 3 1 1 A 74 74 THR N N 74 111.809 110.281 1.528 1
1 973 . 3 1 1 A 75 75 VAL H H 75 8.584 9.005 -0.421 1
1 974 . 3 1 1 A 75 75 VAL HA H 75 4.878 4.901 -0.023 1
1 982 . 3 1 1 A 75 75 VAL C C 75 174.510 174.928 -0.418 1
1 983 . 3 1 1 A 75 75 VAL CA C 75 61.844 61.622 0.222 1
1 984 . 3 1 1 A 75 75 VAL CB C 75 34.500 34.007 0.493 1
1 987 . 3 1 1 A 75 75 VAL N N 75 122.820 125.274 -2.454 1
1 988 . 3 1 1 A 76 76 GLU H H 76 9.029 8.844 0.185 1
1 989 . 3 1 1 A 76 76 GLU HA H 76 4.861 4.886 -0.025 1
1 994 . 3 1 1 A 76 76 GLU C C 76 174.510 174.275 0.235 1
1 995 . 3 1 1 A 76 76 GLU CA C 76 53.757 54.342 -0.585 1
1 996 . 3 1 1 A 76 76 GLU CB C 76 34.230 33.584 0.646 1
1 998 . 3 1 1 A 76 76 GLU N N 76 124.572 125.841 -1.269 1
1 999 . 3 1 1 A 77 77 ARG H H 77 8.962 8.551 0.411 1
1 1000 . 3 1 1 A 77 77 ARG HA H 77 4.736 4.786 -0.050 1
1 1008 . 3 1 1 A 77 77 ARG C C 77 176.502 175.444 1.058 1
1 1009 . 3 1 1 A 77 77 ARG CA C 77 55.521 55.465 0.056 1
1 1010 . 3 1 1 A 77 77 ARG CB C 77 30.893 31.685 -0.792 1
1 1013 . 3 1 1 A 77 77 ARG N N 77 122.875 122.981 -0.106 1
1 1015 . 3 1 1 A 78 78 LEU H H 78 8.252 9.051 -0.799 1
1 1016 . 3 1 1 A 78 78 LEU HA H 78 4.505 4.473 0.032 1
1 1026 . 3 1 1 A 78 78 LEU C C 78 176.737 177.877 -1.140 1
1 1027 . 3 1 1 A 78 78 LEU CA C 78 53.875 54.622 -0.747 1
1 1028 . 3 1 1 A 78 78 LEU CB C 78 43.228 40.848 2.380 1
1 1032 . 3 1 1 A 78 78 LEU N N 78 127.062 127.912 -0.850 1
1 1033 . 3 1 1 A 79 79 SER H H 79 8.635 8.790 -0.155 1
1 1034 . 3 1 1 A 79 79 SER HA H 79 4.492 4.456 0.036 1
1 1037 . 3 1 1 A 79 79 SER C C 79 174.041 174.334 -0.293 1
1 1038 . 3 1 1 A 79 79 SER CA C 79 58.465 60.794 -2.329 1
1 1039 . 3 1 1 A 79 79 SER CB C 79 63.993 63.323 0.670 1
1 1040 . 3 1 1 A 79 79 SER N N 79 118.446 119.546 -1.100 1
1 1041 . 3 1 1 A 80 80 ASN H H 80 8.421 7.811 0.610 1
1 1042 . 3 1 1 A 80 80 ASN HA H 80 4.668 4.692 -0.024 1
1 1047 . 3 1 1 A 80 80 ASN C C 80 175.096 173.951 1.145 1
1 1048 . 3 1 1 A 80 80 ASN CA C 80 53.300 53.036 0.264 1
1 1049 . 3 1 1 A 80 80 ASN CB C 80 38.300 38.567 -0.267 1
1 1050 . 3 1 1 A 80 80 ASN N N 80 119.339 120.277 -0.938 1
1 1052 . 3 1 1 A 81 81 LEU H H 81 8.256 8.442 -0.186 1
1 1053 . 3 1 1 A 81 81 LEU HA H 81 4.258 5.160 -0.902 1
1 1063 . 3 1 1 A 81 81 LEU C C 81 177.323 176.742 0.581 1
1 1064 . 3 1 1 A 81 81 LEU CA C 81 55.263 53.309 1.954 1
1 1065 . 3 1 1 A 81 81 LEU CB C 81 41.756 45.223 -3.467 1
1 1069 . 3 1 1 A 81 81 LEU N N 81 121.238 127.076 -5.838 1
1 1070 . 3 1 1 A 82 82 GLU H H 82 8.282 8.670 -0.388 1
1 1071 . 3 1 1 A 82 82 GLU HA H 82 4.169 4.785 -0.616 1
1 1076 . 3 1 1 A 82 82 GLU C C 82 176.385 176.755 -0.370 1
1 1077 . 3 1 1 A 82 82 GLU CA C 82 56.762 55.312 1.450 1
1 1078 . 3 1 1 A 82 82 GLU CB C 82 29.997 29.949 0.048 1
1 1080 . 3 1 1 A 82 82 GLU N N 82 120.037 118.450 1.587 1
1 1081 . 3 1 1 A 83 83 HIS H H 83 8.195 8.032 0.163 1
1 1082 . 3 1 1 A 83 83 HIS HA H 83 4.535 4.735 -0.200 1
1 1087 . 3 1 1 A 83 83 HIS C C 83 175.081 174.072 1.009 1
1 1088 . 3 1 1 A 83 83 HIS CA C 83 55.951 55.661 0.290 1
1 1089 . 3 1 1 A 83 83 HIS CB C 83 30.366 28.875 1.491 1
1 1 . 4 1 1 A 2 2 THR HA H 2 3.782 4.808 -1.026 1
1 6 . 4 1 1 A 2 2 THR C C 2 171.502 172.815 -1.313 1
1 7 . 4 1 1 A 2 2 THR CA C 2 61.906 60.709 1.197 1
1 8 . 4 1 1 A 2 2 THR CB C 2 69.449 69.600 -0.151 1
1 10 . 4 1 1 A 3 3 ASP H H 3 8.636 8.666 -0.030 1
1 11 . 4 1 1 A 3 3 ASP HA H 3 4.803 5.204 -0.401 1
1 14 . 4 1 1 A 3 3 ASP C C 3 175.330 176.249 -0.919 1
1 15 . 4 1 1 A 3 3 ASP CA C 3 54.454 54.576 -0.122 1
1 16 . 4 1 1 A 3 3 ASP CB C 3 41.426 41.606 -0.180 1
1 17 . 4 1 1 A 3 3 ASP N N 3 125.850 128.825 -2.975 1
1 18 . 4 1 1 A 4 4 PHE H H 4 8.608 9.044 -0.436 1
1 19 . 4 1 1 A 4 4 PHE HA H 4 5.042 5.883 -0.841 1
1 27 . 4 1 1 A 4 4 PHE C C 4 172.986 172.965 0.021 1
1 28 . 4 1 1 A 4 4 PHE CA C 4 55.505 54.983 0.522 1
1 29 . 4 1 1 A 4 4 PHE CB C 4 41.288 42.345 -1.057 1
1 33 . 4 1 1 A 4 4 PHE N N 4 117.566 119.504 -1.938 1
1 34 . 4 1 1 A 5 5 LEU H H 5 8.498 8.598 -0.100 1
1 35 . 4 1 1 A 5 5 LEU HA H 5 4.532 3.936 0.596 1
1 45 . 4 1 1 A 5 5 LEU C C 5 175.330 174.478 0.852 1
1 46 . 4 1 1 A 5 5 LEU CA C 5 54.222 53.919 0.303 1
1 47 . 4 1 1 A 5 5 LEU CB C 5 42.932 42.535 0.397 1
1 51 . 4 1 1 A 5 5 LEU N N 5 123.329 122.249 1.080 1
1 52 . 4 1 1 A 6 6 ALA H H 6 9.325 8.966 0.359 1
1 53 . 4 1 1 A 6 6 ALA HA H 6 4.769 5.349 -0.580 1
1 57 . 4 1 1 A 6 6 ALA C C 6 174.744 176.783 -2.039 1
1 58 . 4 1 1 A 6 6 ALA CA C 6 50.500 50.454 0.046 1
1 59 . 4 1 1 A 6 6 ALA CB C 6 23.746 21.394 2.352 1
1 60 . 4 1 1 A 6 6 ALA N N 6 129.530 130.019 -0.489 1
1 61 . 4 1 1 A 7 7 GLY H H 7 8.639 8.820 -0.181 1
1 62 . 4 1 1 A 7 7 GLY HA2 H 7 5.721 4.263 1.458 1
1 63 . 4 1 1 A 7 7 GLY HA3 H 7 3.508 4.272 -0.764 1
1 64 . 4 1 1 A 7 7 GLY C C 7 173.221 171.968 1.253 1
1 65 . 4 1 1 A 7 7 GLY CA C 7 45.351 44.002 1.349 1
1 66 . 4 1 1 A 7 7 GLY N N 7 106.888 109.448 -2.560 1
1 67 . 4 1 1 A 8 8 ILE H H 8 9.356 9.138 0.218 1
1 68 . 4 1 1 A 8 8 ILE HA H 8 4.957 4.955 0.002 1
1 78 . 4 1 1 A 8 8 ILE C C 8 172.986 174.098 -1.112 1
1 79 . 4 1 1 A 8 8 ILE CA C 8 59.551 59.616 -0.065 1
1 80 . 4 1 1 A 8 8 ILE CB C 8 43.405 41.738 1.667 1
1 84 . 4 1 1 A 8 8 ILE N N 8 122.820 123.595 -0.775 1
1 85 . 4 1 1 A 9 9 ARG H H 9 9.364 9.275 0.089 1
1 86 . 4 1 1 A 9 9 ARG HA H 9 5.609 5.350 0.259 1
1 94 . 4 1 1 A 9 9 ARG C C 9 175.096 174.539 0.557 1
1 95 . 4 1 1 A 9 9 ARG CA C 9 54.192 54.490 -0.298 1
1 96 . 4 1 1 A 9 9 ARG CB C 9 33.400 33.621 -0.221 1
1 99 . 4 1 1 A 9 9 ARG N N 9 126.323 126.559 -0.236 1
1 101 . 4 1 1 A 10 10 ILE H H 10 9.479 9.220 0.259 1
1 102 . 4 1 1 A 10 10 ILE HA H 10 5.089 4.900 0.189 1
1 112 . 4 1 1 A 10 10 ILE C C 10 174.275 174.526 -0.251 1
1 113 . 4 1 1 A 10 10 ILE CA C 10 60.127 59.936 0.191 1
1 114 . 4 1 1 A 10 10 ILE CB C 10 42.651 39.806 2.845 1
1 118 . 4 1 1 A 10 10 ILE N N 10 128.583 127.005 1.578 1
1 119 . 4 1 1 A 11 11 VAL H H 11 8.581 8.785 -0.204 1
1 120 . 4 1 1 A 11 11 VAL HA H 11 4.793 4.716 0.077 1
1 128 . 4 1 1 A 11 11 VAL C C 11 175.827 174.452 1.375 1
1 129 . 4 1 1 A 11 11 VAL CA C 11 60.201 60.368 -0.167 1
1 130 . 4 1 1 A 11 11 VAL CB C 11 34.522 32.697 1.825 1
1 133 . 4 1 1 A 11 11 VAL N N 11 126.323 128.294 -1.971 1
1 134 . 4 1 1 A 12 12 GLY H H 12 7.713 7.440 0.273 1
1 135 . 4 1 1 A 12 12 GLY HA2 H 12 3.434 3.432 0.002 1
1 136 . 4 1 1 A 12 12 GLY HA3 H 12 3.563 3.914 -0.351 1
1 137 . 4 1 1 A 12 12 GLY C C 12 170.332 172.740 -2.408 1
1 138 . 4 1 1 A 12 12 GLY CA C 12 45.842 43.465 2.377 1
1 139 . 4 1 1 A 12 12 GLY N N 12 113.216 113.735 -0.519 1
1 140 . 4 1 1 A 13 13 GLU H H 13 8.180 8.188 -0.008 1
1 141 . 4 1 1 A 13 13 GLU HA H 13 4.387 4.379 0.008 1
1 146 . 4 1 1 A 13 13 GLU C C 13 175.409 175.697 -0.288 1
1 147 . 4 1 1 A 13 13 GLU CA C 13 55.865 56.785 -0.920 1
1 148 . 4 1 1 A 13 13 GLU CB C 13 31.102 30.073 1.029 1
1 150 . 4 1 1 A 13 13 GLU N N 13 119.035 118.346 0.689 1
1 151 . 4 1 1 A 14 14 ASP H H 14 8.095 8.714 -0.619 1
1 152 . 4 1 1 A 14 14 ASP HA H 14 4.888 5.016 -0.128 1
1 155 . 4 1 1 A 14 14 ASP C C 14 174.991 175.697 -0.706 1
1 156 . 4 1 1 A 14 14 ASP CA C 14 52.473 54.282 -1.809 1
1 157 . 4 1 1 A 14 14 ASP CB C 14 40.364 41.112 -0.748 1
1 158 . 4 1 1 A 14 14 ASP N N 14 122.877 124.516 -1.639 1
1 159 . 4 1 1 A 15 15 LYS H H 15 7.345 8.477 -1.132 1
1 160 . 4 1 1 A 15 15 LYS HA H 15 4.550 4.711 -0.161 1
1 169 . 4 1 1 A 15 15 LYS C C 15 176.385 175.109 1.276 1
1 170 . 4 1 1 A 15 15 LYS CA C 15 54.554 55.699 -1.145 1
1 171 . 4 1 1 A 15 15 LYS CB C 15 35.403 35.115 0.288 1
1 175 . 4 1 1 A 15 15 LYS N N 15 120.221 124.731 -4.510 1
1 176 . 4 1 1 A 16 16 ASN H H 16 9.025 9.331 -0.306 1
1 177 . 4 1 1 A 16 16 ASN HA H 16 4.386 4.449 -0.063 1
1 182 . 4 1 1 A 16 16 ASN C C 16 175.916 175.554 0.362 1
1 183 . 4 1 1 A 16 16 ASN CA C 16 54.966 54.436 0.530 1
1 184 . 4 1 1 A 16 16 ASN CB C 16 37.810 37.030 0.780 1
1 185 . 4 1 1 A 16 16 ASN N N 16 119.785 120.208 -0.423 1
1 187 . 4 1 1 A 17 17 GLY H H 17 8.780 8.351 0.429 1
1 188 . 4 1 1 A 17 17 GLY HA2 H 17 4.125 3.941 0.184 1
1 189 . 4 1 1 A 17 17 GLY HA3 H 17 3.970 3.958 0.012 1
1 190 . 4 1 1 A 17 17 GLY C C 17 176.151 175.096 1.055 1
1 191 . 4 1 1 A 17 17 GLY CA C 17 45.996 46.035 -0.039 1
1 192 . 4 1 1 A 17 17 GLY N N 17 110.504 105.573 4.931 1
1 193 . 4 1 1 A 18 18 MET H H 18 7.989 8.207 -0.218 1
1 194 . 4 1 1 A 18 18 MET HA H 18 4.359 4.177 0.182 1
1 202 . 4 1 1 A 18 18 MET C C 18 178.589 178.100 0.489 1
1 203 . 4 1 1 A 18 18 MET CA C 18 57.405 58.295 -0.890 1
1 204 . 4 1 1 A 18 18 MET CB C 18 31.847 32.619 -0.772 1
1 207 . 4 1 1 A 18 18 MET N N 18 121.860 119.780 2.080 1
1 208 . 4 1 1 A 19 19 THR H H 19 8.807 7.885 0.922 1
1 209 . 4 1 1 A 19 19 THR HA H 19 3.233 3.249 -0.016 1
1 215 . 4 1 1 A 19 19 THR C C 19 177.909 176.821 1.088 1
1 216 . 4 1 1 A 19 19 THR CA C 19 65.516 65.467 0.049 1
1 217 . 4 1 1 A 19 19 THR CB C 19 67.000 68.015 -1.015 1
1 219 . 4 1 1 A 19 19 THR N N 19 111.351 112.030 -0.679 1
1 220 . 4 1 1 A 20 20 ASN H H 20 7.936 7.675 0.261 1
1 221 . 4 1 1 A 20 20 ASN HA H 20 4.083 4.420 -0.337 1
1 226 . 4 1 1 A 20 20 ASN C C 20 176.854 177.635 -0.781 1
1 227 . 4 1 1 A 20 20 ASN CA C 20 57.669 55.733 1.936 1
1 228 . 4 1 1 A 20 20 ASN CB C 20 36.625 38.343 -1.718 1
1 229 . 4 1 1 A 20 20 ASN N N 20 121.577 120.774 0.803 1
1 231 . 4 1 1 A 21 21 GLN H H 21 8.433 7.936 0.497 1
1 232 . 4 1 1 A 21 21 GLN HA H 21 4.046 4.028 0.018 1
1 239 . 4 1 1 A 21 21 GLN C C 21 179.550 178.411 1.139 1
1 240 . 4 1 1 A 21 21 GLN CA C 21 59.187 58.577 0.610 1
1 241 . 4 1 1 A 21 21 GLN CB C 21 28.512 28.458 0.054 1
1 243 . 4 1 1 A 21 21 GLN N N 21 120.250 117.351 2.899 1
1 245 . 4 1 1 A 22 22 ILE H H 22 8.779 8.305 0.474 1
1 246 . 4 1 1 A 22 22 ILE HA H 22 3.823 3.659 0.164 1
1 256 . 4 1 1 A 22 22 ILE C C 22 176.854 177.744 -0.890 1
1 257 . 4 1 1 A 22 22 ILE CA C 22 61.611 65.591 -3.980 1
1 258 . 4 1 1 A 22 22 ILE CB C 22 36.935 38.079 -1.144 1
1 262 . 4 1 1 A 22 22 ILE N N 22 119.497 121.293 -1.796 1
1 263 . 4 1 1 A 23 23 THR H H 23 7.478 7.786 -0.308 1
1 264 . 4 1 1 A 23 23 THR HA H 23 3.523 3.931 -0.408 1
1 270 . 4 1 1 A 23 23 THR C C 23 176.502 176.853 -0.351 1
1 271 . 4 1 1 A 23 23 THR CA C 23 67.006 66.358 0.648 1
1 272 . 4 1 1 A 23 23 THR CB C 23 67.305 68.281 -0.976 1
1 274 . 4 1 1 A 23 23 THR N N 23 115.702 116.290 -0.588 1
1 275 . 4 1 1 A 24 24 GLY H H 24 8.011 8.187 -0.176 1
1 276 . 4 1 1 A 24 24 GLY HA2 H 24 3.880 3.647 0.233 1
1 277 . 4 1 1 A 24 24 GLY HA3 H 24 3.672 3.658 0.014 1
1 278 . 4 1 1 A 24 24 GLY C C 24 176.385 175.785 0.600 1
1 279 . 4 1 1 A 24 24 GLY CA C 24 47.163 47.211 -0.048 1
1 280 . 4 1 1 A 24 24 GLY N N 24 110.691 107.895 2.796 1
1 281 . 4 1 1 A 25 25 VAL H H 25 7.898 8.306 -0.408 1
1 282 . 4 1 1 A 25 25 VAL HA H 25 3.473 3.605 -0.132 1
1 290 . 4 1 1 A 25 25 VAL C C 25 178.286 177.413 0.873 1
1 291 . 4 1 1 A 25 25 VAL CA C 25 66.432 65.742 0.690 1
1 292 . 4 1 1 A 25 25 VAL CB C 25 31.925 31.711 0.214 1
1 295 . 4 1 1 A 25 25 VAL N N 25 123.276 121.765 1.511 1
1 296 . 4 1 1 A 26 26 ILE H H 26 7.646 7.875 -0.229 1
1 297 . 4 1 1 A 26 26 ILE HA H 26 2.698 2.494 0.204 1
1 307 . 4 1 1 A 26 26 ILE C C 26 177.440 178.059 -0.619 1
1 308 . 4 1 1 A 26 26 ILE CA C 26 64.163 64.902 -0.739 1
1 309 . 4 1 1 A 26 26 ILE CB C 26 37.876 37.557 0.319 1
1 313 . 4 1 1 A 26 26 ILE N N 26 116.606 120.634 -4.028 1
1 314 . 4 1 1 A 27 27 SER H H 27 7.783 7.581 0.202 1
1 315 . 4 1 1 A 27 27 SER HA H 27 3.908 4.148 -0.240 1
1 319 . 4 1 1 A 27 27 SER C C 27 175.330 175.542 -0.212 1
1 320 . 4 1 1 A 27 27 SER CA C 27 61.465 61.077 0.388 1
1 321 . 4 1 1 A 27 27 SER CB C 27 63.388 62.844 0.544 1
1 322 . 4 1 1 A 27 27 SER N N 27 112.932 115.186 -2.254 1
1 323 . 4 1 1 A 28 28 LYS H H 28 7.008 7.492 -0.484 1
1 324 . 4 1 1 A 28 28 LYS HA H 28 4.234 4.224 0.010 1
1 333 . 4 1 1 A 28 28 LYS C C 28 177.323 177.614 -0.291 1
1 334 . 4 1 1 A 28 28 LYS CA C 28 56.161 56.880 -0.719 1
1 335 . 4 1 1 A 28 28 LYS CB C 28 32.742 32.190 0.552 1
1 339 . 4 1 1 A 28 28 LYS N N 28 118.978 119.512 -0.534 1
1 340 . 4 1 1 A 29 29 PHE H H 29 7.691 7.259 0.432 1
1 341 . 4 1 1 A 29 29 PHE HA H 29 4.576 4.586 -0.010 1
1 349 . 4 1 1 A 29 29 PHE C C 29 175.841 174.774 1.067 1
1 350 . 4 1 1 A 29 29 PHE CA C 29 56.366 57.453 -1.087 1
1 351 . 4 1 1 A 29 29 PHE CB C 29 38.723 39.286 -0.563 1
1 355 . 4 1 1 A 29 29 PHE N N 29 120.755 117.374 3.381 1
1 356 . 4 1 1 A 30 30 ASP H H 30 8.388 8.316 0.072 1
1 357 . 4 1 1 A 30 30 ASP HA H 30 4.650 4.261 0.389 1
1 360 . 4 1 1 A 30 30 ASP C C 30 175.096 175.035 0.061 1
1 361 . 4 1 1 A 30 30 ASP CA C 30 53.331 55.668 -2.337 1
1 362 . 4 1 1 A 30 30 ASP CB C 30 38.691 40.531 -1.840 1
1 363 . 4 1 1 A 30 30 ASP N N 30 122.230 119.108 3.122 1
1 364 . 4 1 1 A 31 31 THR H H 31 7.663 7.924 -0.261 1
1 365 . 4 1 1 A 31 31 THR HA H 31 4.558 4.759 -0.201 1
1 370 . 4 1 1 A 31 31 THR C C 31 173.297 173.290 0.007 1
1 371 . 4 1 1 A 31 31 THR CA C 31 59.333 60.250 -0.917 1
1 372 . 4 1 1 A 31 31 THR CB C 31 70.319 71.189 -0.870 1
1 374 . 4 1 1 A 31 31 THR N N 31 112.538 114.586 -2.048 1
1 375 . 4 1 1 A 32 32 ASN H H 32 8.308 8.582 -0.274 1
1 376 . 4 1 1 A 32 32 ASN HA H 32 4.910 5.028 -0.118 1
1 381 . 4 1 1 A 32 32 ASN C C 32 175.447 174.863 0.584 1
1 382 . 4 1 1 A 32 32 ASN CA C 32 52.732 53.001 -0.269 1
1 383 . 4 1 1 A 32 32 ASN CB C 32 39.337 39.296 0.041 1
1 384 . 4 1 1 A 32 32 ASN N N 32 121.973 124.718 -2.745 1
1 386 . 4 1 1 A 33 33 ILE H H 33 8.320 8.828 -0.508 1
1 387 . 4 1 1 A 33 33 ILE HA H 33 3.846 4.159 -0.313 1
1 397 . 4 1 1 A 33 33 ILE C C 33 175.230 176.006 -0.776 1
1 398 . 4 1 1 A 33 33 ILE CA C 33 63.300 61.808 1.492 1
1 399 . 4 1 1 A 33 33 ILE CB C 33 39.167 36.950 2.217 1
1 403 . 4 1 1 A 33 33 ILE N N 33 125.984 126.878 -0.894 1
1 404 . 4 1 1 A 34 34 ARG H H 34 8.858 8.949 -0.091 1
1 405 . 4 1 1 A 34 34 ARG HA H 34 4.538 4.480 0.058 1
1 413 . 4 1 1 A 34 34 ARG C C 34 175.565 176.327 -0.762 1
1 414 . 4 1 1 A 34 34 ARG CA C 34 54.900 57.695 -2.795 1
1 415 . 4 1 1 A 34 34 ARG CB C 34 30.275 31.582 -1.307 1
1 418 . 4 1 1 A 34 34 ARG N N 34 126.537 129.424 -2.887 1
1 420 . 4 1 1 A 35 35 THR H H 35 7.698 7.540 0.158 1
1 421 . 4 1 1 A 35 35 THR HA H 35 5.311 4.933 0.378 1
1 426 . 4 1 1 A 35 35 THR C C 35 173.807 172.503 1.304 1
1 427 . 4 1 1 A 35 35 THR CA C 35 61.040 60.967 0.073 1
1 428 . 4 1 1 A 35 35 THR CB C 35 74.055 73.503 0.552 1
1 430 . 4 1 1 A 35 35 THR N N 35 111.895 110.766 1.129 1
1 431 . 4 1 1 A 36 36 ILE H H 36 8.907 8.559 0.348 1
1 432 . 4 1 1 A 36 36 ILE HA H 36 4.753 5.225 -0.472 1
1 442 . 4 1 1 A 36 36 ILE C C 36 174.275 173.270 1.005 1
1 443 . 4 1 1 A 36 36 ILE CA C 36 61.400 60.205 1.195 1
1 444 . 4 1 1 A 36 36 ILE CB C 36 42.569 41.842 0.727 1
1 448 . 4 1 1 A 36 36 ILE N N 36 123.257 123.458 -0.201 1
1 449 . 4 1 1 A 37 37 VAL H H 37 8.933 8.887 0.046 1
1 450 . 4 1 1 A 37 37 VAL HA H 37 4.903 4.594 0.309 1
1 458 . 4 1 1 A 37 37 VAL C C 37 174.684 173.911 0.773 1
1 459 . 4 1 1 A 37 37 VAL CA C 37 62.100 61.552 0.548 1
1 460 . 4 1 1 A 37 37 VAL CB C 37 34.186 34.205 -0.019 1
1 463 . 4 1 1 A 37 37 VAL N N 37 126.323 128.818 -2.495 1
1 464 . 4 1 1 A 38 38 LEU H H 38 9.751 9.010 0.741 1
1 465 . 4 1 1 A 38 38 LEU HA H 38 5.636 5.524 0.112 1
1 475 . 4 1 1 A 38 38 LEU C C 38 174.510 175.117 -0.607 1
1 476 . 4 1 1 A 38 38 LEU CA C 38 53.810 53.729 0.081 1
1 477 . 4 1 1 A 38 38 LEU CB C 38 45.655 44.620 1.035 1
1 481 . 4 1 1 A 38 38 LEU N N 38 133.332 130.078 3.254 1
1 482 . 4 1 1 A 39 39 ASN H H 39 8.952 8.746 0.206 1
1 483 . 4 1 1 A 39 39 ASN HA H 39 5.450 5.491 -0.041 1
1 488 . 4 1 1 A 39 39 ASN C C 39 172.869 173.351 -0.482 1
1 489 . 4 1 1 A 39 39 ASN CA C 39 53.137 51.431 1.706 1
1 490 . 4 1 1 A 39 39 ASN CB C 39 43.287 41.939 1.348 1
1 491 . 4 1 1 A 39 39 ASN N N 39 123.262 123.384 -0.122 1
1 493 . 4 1 1 A 40 40 ALA H H 40 8.467 9.018 -0.551 1
1 494 . 4 1 1 A 40 40 ALA HA H 40 5.345 5.587 -0.242 1
1 498 . 4 1 1 A 40 40 ALA C C 40 175.447 176.967 -1.520 1
1 499 . 4 1 1 A 40 40 ALA CA C 40 51.370 50.752 0.618 1
1 500 . 4 1 1 A 40 40 ALA CB C 40 20.975 20.724 0.251 1
1 501 . 4 1 1 A 40 40 ALA N N 40 127.058 125.756 1.302 1
1 502 . 4 1 1 A 41 41 LYS H H 41 8.865 8.913 -0.048 1
1 503 . 4 1 1 A 41 41 LYS HA H 41 4.435 4.923 -0.488 1
1 512 . 4 1 1 A 41 41 LYS C C 41 175.565 174.839 0.726 1
1 513 . 4 1 1 A 41 41 LYS CA C 41 56.736 54.824 1.912 1
1 514 . 4 1 1 A 41 41 LYS CB C 41 34.811 36.740 -1.929 1
1 518 . 4 1 1 A 41 41 LYS N N 41 121.996 120.344 1.652 1
1 519 . 4 1 1 A 42 42 ASP H H 42 9.197 9.352 -0.155 1
1 520 . 4 1 1 A 42 42 ASP HA H 42 4.373 4.365 0.008 1
1 523 . 4 1 1 A 42 42 ASP C C 42 175.447 176.260 -0.813 1
1 524 . 4 1 1 A 42 42 ASP CA C 42 55.547 55.361 0.186 1
1 525 . 4 1 1 A 42 42 ASP CB C 42 39.485 39.332 0.153 1
1 526 . 4 1 1 A 42 42 ASP N N 42 122.213 120.191 2.022 1
1 527 . 4 1 1 A 43 43 GLY H H 43 9.306 8.657 0.649 1
1 528 . 4 1 1 A 43 43 GLY HA2 H 43 4.443 3.858 0.585 1
1 529 . 4 1 1 A 43 43 GLY HA3 H 43 3.816 3.863 -0.047 1
1 530 . 4 1 1 A 43 43 GLY C C 43 174.979 173.868 1.111 1
1 531 . 4 1 1 A 43 43 GLY CA C 43 45.661 45.473 0.188 1
1 532 . 4 1 1 A 43 43 GLY N N 43 104.610 104.794 -0.184 1
1 533 . 4 1 1 A 44 44 ILE H H 44 8.117 8.001 0.116 1
1 534 . 4 1 1 A 44 44 ILE HA H 44 5.112 4.766 0.346 1
1 544 . 4 1 1 A 44 44 ILE C C 44 175.213 174.769 0.444 1
1 545 . 4 1 1 A 44 44 ILE CA C 44 59.040 59.333 -0.293 1
1 546 . 4 1 1 A 44 44 ILE CB C 44 42.013 40.855 1.158 1
1 550 . 4 1 1 A 44 44 ILE N N 44 122.284 122.296 -0.012 1
1 551 . 4 1 1 A 45 45 PHE H H 45 8.955 8.433 0.522 1
1 552 . 4 1 1 A 45 45 PHE HA H 45 5.740 6.083 -0.343 1
1 560 . 4 1 1 A 45 45 PHE C C 45 172.283 173.517 -1.234 1
1 561 . 4 1 1 A 45 45 PHE CA C 45 55.872 54.919 0.953 1
1 562 . 4 1 1 A 45 45 PHE CB C 45 42.740 42.331 0.409 1
1 566 . 4 1 1 A 45 45 PHE N N 45 121.747 121.849 -0.102 1
1 567 . 4 1 1 A 46 46 THR H H 46 8.659 9.084 -0.425 1
1 568 . 4 1 1 A 46 46 THR HA H 46 5.111 5.257 -0.146 1
1 574 . 4 1 1 A 46 46 THR C C 46 174.041 172.810 1.231 1
1 575 . 4 1 1 A 46 46 THR CA C 46 59.750 60.215 -0.465 1
1 576 . 4 1 1 A 46 46 THR CB C 46 71.380 70.361 1.019 1
1 578 . 4 1 1 A 46 46 THR N N 46 113.420 117.529 -4.109 1
1 579 . 4 1 1 A 47 47 CYS H H 47 9.619 9.429 0.190 1
1 580 . 4 1 1 A 47 47 CYS HA H 47 5.562 4.853 0.709 1
1 584 . 4 1 1 A 47 47 CYS C C 47 172.283 173.310 -1.027 1
1 585 . 4 1 1 A 47 47 CYS CA C 47 56.776 57.844 -1.068 1
1 586 . 4 1 1 A 47 47 CYS CB C 47 29.112 28.357 0.755 1
1 587 . 4 1 1 A 47 47 CYS N N 47 124.781 129.476 -4.695 1
1 588 . 4 1 1 A 48 48 ASN H H 48 9.293 9.361 -0.068 1
1 589 . 4 1 1 A 48 48 ASN HA H 48 5.629 5.266 0.363 1
1 594 . 4 1 1 A 48 48 ASN C C 48 173.455 174.029 -0.574 1
1 595 . 4 1 1 A 48 48 ASN CA C 48 51.962 52.620 -0.658 1
1 596 . 4 1 1 A 48 48 ASN CB C 48 40.059 39.273 0.786 1
1 597 . 4 1 1 A 48 48 ASN N N 48 129.520 126.190 3.330 1
1 599 . 4 1 1 A 49 49 LEU H H 49 9.435 9.215 0.220 1
1 600 . 4 1 1 A 49 49 LEU HA H 49 5.158 4.962 0.196 1
1 610 . 4 1 1 A 49 49 LEU C C 49 174.510 174.545 -0.035 1
1 611 . 4 1 1 A 49 49 LEU CA C 49 53.178 53.661 -0.483 1
1 612 . 4 1 1 A 49 49 LEU CB C 49 46.402 44.654 1.748 1
1 616 . 4 1 1 A 49 49 LEU N N 49 125.541 127.062 -1.521 1
1 617 . 4 1 1 A 50 50 MET H H 50 8.978 9.054 -0.076 1
1 618 . 4 1 1 A 50 50 MET HA H 50 5.723 5.359 0.364 1
1 626 . 4 1 1 A 50 50 MET C C 50 175.682 174.897 0.785 1
1 627 . 4 1 1 A 50 50 MET CA C 50 54.073 54.372 -0.299 1
1 628 . 4 1 1 A 50 50 MET CB C 50 33.643 35.175 -1.532 1
1 631 . 4 1 1 A 50 50 MET N N 50 123.131 125.124 -1.993 1
1 632 . 4 1 1 A 51 51 ILE H H 51 9.056 8.765 0.291 1
1 633 . 4 1 1 A 51 51 ILE HA H 51 5.044 5.184 -0.140 1
1 643 . 4 1 1 A 51 51 ILE C C 51 173.689 174.306 -0.617 1
1 644 . 4 1 1 A 51 51 ILE CA C 51 58.495 58.814 -0.319 1
1 645 . 4 1 1 A 51 51 ILE CB C 51 41.447 42.393 -0.946 1
1 649 . 4 1 1 A 51 51 ILE N N 51 118.753 117.895 0.858 1
1 650 . 4 1 1 A 52 52 PHE H H 52 8.324 8.953 -0.629 1
1 651 . 4 1 1 A 52 52 PHE HA H 52 5.345 5.375 -0.030 1
1 659 . 4 1 1 A 52 52 PHE C C 52 176.084 175.398 0.686 1
1 660 . 4 1 1 A 52 52 PHE CA C 52 56.478 57.217 -0.739 1
1 661 . 4 1 1 A 52 52 PHE CB C 52 40.520 41.091 -0.571 1
1 665 . 4 1 1 A 52 52 PHE N N 52 120.910 120.828 0.082 1
1 666 . 4 1 1 A 53 53 VAL H H 53 8.865 8.350 0.515 1
1 667 . 4 1 1 A 53 53 VAL HA H 53 4.663 4.613 0.050 1
1 675 . 4 1 1 A 53 53 VAL C C 53 174.812 176.009 -1.197 1
1 676 . 4 1 1 A 53 53 VAL CA C 53 58.881 59.230 -0.349 1
1 677 . 4 1 1 A 53 53 VAL CB C 53 35.707 34.727 0.980 1
1 680 . 4 1 1 A 53 53 VAL N N 53 118.244 115.732 2.512 1
1 681 . 4 1 1 A 54 54 LYS H H 54 8.335 8.713 -0.378 1
1 682 . 4 1 1 A 54 54 LYS HA H 54 4.324 4.114 0.210 1
1 691 . 4 1 1 A 54 54 LYS C C 54 176.655 176.237 0.418 1
1 692 . 4 1 1 A 54 54 LYS CA C 54 58.039 58.173 -0.134 1
1 693 . 4 1 1 A 54 54 LYS CB C 54 33.974 33.091 0.883 1
1 697 . 4 1 1 A 54 54 LYS N N 54 120.334 123.507 -3.173 1
1 698 . 4 1 1 A 55 55 ASN H H 55 7.235 7.738 -0.503 1
1 699 . 4 1 1 A 55 55 ASN HA H 55 4.888 5.323 -0.435 1
1 704 . 4 1 1 A 55 55 ASN C C 55 175.083 175.243 -0.160 1
1 705 . 4 1 1 A 55 55 ASN CA C 55 52.173 51.902 0.271 1
1 706 . 4 1 1 A 55 55 ASN CB C 55 39.333 40.661 -1.328 1
1 707 . 4 1 1 A 55 55 ASN N N 55 108.018 111.962 -3.944 1
1 709 . 4 1 1 A 56 56 THR H H 56 8.865 8.641 0.224 1
1 710 . 4 1 1 A 56 56 THR HA H 56 4.036 4.275 -0.239 1
1 715 . 4 1 1 A 56 56 THR C C 56 178.637 176.469 2.168 1
1 716 . 4 1 1 A 56 56 THR CA C 56 65.800 65.211 0.589 1
1 717 . 4 1 1 A 56 56 THR CB C 56 68.341 68.757 -0.416 1
1 719 . 4 1 1 A 56 56 THR N N 56 113.338 112.081 1.257 1
1 720 . 4 1 1 A 57 57 ASP H H 57 8.384 8.299 0.085 1
1 721 . 4 1 1 A 57 57 ASP HA H 57 4.467 4.413 0.054 1
1 724 . 4 1 1 A 57 57 ASP CA C 57 57.400 57.894 -0.494 1
1 725 . 4 1 1 A 57 57 ASP CB C 57 39.938 40.857 -0.919 1
1 726 . 4 1 1 A 57 57 ASP N N 57 124.402 121.937 2.465 1
1 727 . 4 1 1 A 58 58 LYS H H 58 8.266 8.240 0.026 1
1 728 . 4 1 1 A 58 58 LYS HA H 58 4.172 4.022 0.150 1
1 740 . 4 1 1 A 58 58 LYS C C 58 178.378 178.764 -0.386 1
1 741 . 4 1 1 A 58 58 LYS CA C 58 57.695 59.251 -1.556 1
1 742 . 4 1 1 A 58 58 LYS CB C 58 31.763 32.020 -0.257 1
1 746 . 4 1 1 A 58 58 LYS N N 58 120.194 119.980 0.214 1
1 747 . 4 1 1 A 59 59 LEU H H 59 7.302 7.292 0.010 1
1 748 . 4 1 1 A 59 59 LEU HA H 59 3.907 3.906 0.001 1
1 758 . 4 1 1 A 59 59 LEU C C 59 177.909 178.281 -0.372 1
1 759 . 4 1 1 A 59 59 LEU CA C 59 57.979 58.019 -0.040 1
1 760 . 4 1 1 A 59 59 LEU CB C 59 41.727 41.576 0.151 1
1 764 . 4 1 1 A 59 59 LEU N N 59 118.583 120.852 -2.269 1
1 765 . 4 1 1 A 60 60 THR H H 60 8.500 8.121 0.379 1
1 766 . 4 1 1 A 60 60 THR HA H 60 3.845 4.055 -0.210 1
1 771 . 4 1 1 A 60 60 THR C C 60 176.502 177.315 -0.813 1
1 772 . 4 1 1 A 60 60 THR CA C 60 66.691 65.474 1.217 1
1 773 . 4 1 1 A 60 60 THR CB C 60 68.390 68.436 -0.046 1
1 775 . 4 1 1 A 60 60 THR N N 60 115.462 111.481 3.981 1
1 776 . 4 1 1 A 61 61 THR H H 61 7.996 8.083 -0.087 1
1 777 . 4 1 1 A 61 61 THR HA H 61 4.053 3.916 0.137 1
1 782 . 4 1 1 A 61 61 THR C C 61 176.502 176.592 -0.090 1
1 783 . 4 1 1 A 61 61 THR CA C 61 66.420 67.050 -0.630 1
1 784 . 4 1 1 A 61 61 THR CB C 61 68.549 67.911 0.638 1
1 786 . 4 1 1 A 61 61 THR N N 61 117.698 116.566 1.132 1
1 787 . 4 1 1 A 62 62 LEU H H 62 7.717 7.682 0.035 1
1 788 . 4 1 1 A 62 62 LEU HA H 62 3.542 3.263 0.279 1
1 798 . 4 1 1 A 62 62 LEU C C 62 178.612 178.772 -0.160 1
1 799 . 4 1 1 A 62 62 LEU CA C 62 57.988 57.473 0.515 1
1 800 . 4 1 1 A 62 62 LEU CB C 62 40.241 40.929 -0.688 1
1 804 . 4 1 1 A 62 62 LEU N N 62 122.534 120.888 1.646 1
1 805 . 4 1 1 A 63 63 MET H H 63 8.230 8.037 0.193 1
1 806 . 4 1 1 A 63 63 MET HA H 63 3.771 4.089 -0.318 1
1 814 . 4 1 1 A 63 63 MET C C 63 177.674 178.029 -0.355 1
1 815 . 4 1 1 A 63 63 MET CA C 63 60.699 58.808 1.891 1
1 816 . 4 1 1 A 63 63 MET CB C 63 33.024 32.176 0.848 1
1 819 . 4 1 1 A 63 63 MET N N 63 116.719 116.508 0.211 1
1 820 . 4 1 1 A 64 64 ASP H H 64 8.263 8.212 0.051 1
1 821 . 4 1 1 A 64 64 ASP HA H 64 4.401 4.303 0.098 1
1 824 . 4 1 1 A 64 64 ASP C C 64 178.378 178.509 -0.131 1
1 825 . 4 1 1 A 64 64 ASP CA C 64 57.400 57.312 0.088 1
1 826 . 4 1 1 A 64 64 ASP CB C 64 40.703 41.629 -0.926 1
1 827 . 4 1 1 A 64 64 ASP N N 64 118.611 120.668 -2.057 1
1 828 . 4 1 1 A 65 65 LYS H H 65 7.755 7.842 -0.087 1
1 829 . 4 1 1 A 65 65 LYS HA H 65 3.970 4.079 -0.109 1
1 838 . 4 1 1 A 65 65 LYS C C 65 179.922 179.504 0.418 1
1 839 . 4 1 1 A 65 65 LYS CA C 65 59.466 59.313 0.153 1
1 840 . 4 1 1 A 65 65 LYS CB C 65 32.372 32.430 -0.058 1
1 844 . 4 1 1 A 65 65 LYS N N 65 118.452 118.168 0.284 1
1 845 . 4 1 1 A 66 66 LEU H H 66 7.768 8.094 -0.326 1
1 846 . 4 1 1 A 66 66 LEU HA H 66 4.066 4.236 -0.170 1
1 856 . 4 1 1 A 66 66 LEU C C 66 177.557 179.821 -2.264 1
1 857 . 4 1 1 A 66 66 LEU CA C 66 57.550 57.200 0.350 1
1 858 . 4 1 1 A 66 66 LEU CB C 66 43.218 41.733 1.485 1
1 862 . 4 1 1 A 66 66 LEU N N 66 118.471 119.944 -1.473 1
1 863 . 4 1 1 A 67 67 ARG H H 67 8.017 8.334 -0.317 1
1 864 . 4 1 1 A 67 67 ARG HA H 67 3.855 4.231 -0.376 1
1 872 . 4 1 1 A 67 67 ARG C C 67 177.440 177.602 -0.162 1
1 873 . 4 1 1 A 67 67 ARG CA C 67 58.584 58.390 0.194 1
1 874 . 4 1 1 A 67 67 ARG CB C 67 30.313 29.968 0.345 1
1 877 . 4 1 1 A 67 67 ARG N N 67 115.702 119.123 -3.421 1
1 879 . 4 1 1 A 68 68 LYS H H 68 7.168 7.794 -0.626 1
1 880 . 4 1 1 A 68 68 LYS HA H 68 4.198 4.351 -0.153 1
1 889 . 4 1 1 A 68 68 LYS C C 68 176.502 176.908 -0.406 1
1 890 . 4 1 1 A 68 68 LYS CA C 68 56.149 57.068 -0.919 1
1 891 . 4 1 1 A 68 68 LYS CB C 68 32.725 32.668 0.057 1
1 895 . 4 1 1 A 68 68 LYS N N 68 115.213 117.369 -2.156 1
1 896 . 4 1 1 A 69 69 VAL H H 69 7.348 7.456 -0.108 1
1 897 . 4 1 1 A 69 69 VAL HA H 69 3.776 4.203 -0.427 1
1 905 . 4 1 1 A 69 69 VAL C C 69 175.916 177.326 -1.410 1
1 906 . 4 1 1 A 69 69 VAL CA C 69 63.134 62.991 0.143 1
1 907 . 4 1 1 A 69 69 VAL CB C 69 31.075 31.408 -0.333 1
1 910 . 4 1 1 A 69 69 VAL N N 69 123.611 120.368 3.243 1
1 911 . 4 1 1 A 70 70 GLN H H 70 8.632 8.587 0.045 1
1 912 . 4 1 1 A 70 70 GLN HA H 70 4.072 4.126 -0.054 1
1 919 . 4 1 1 A 70 70 GLN C C 70 176.151 177.699 -1.548 1
1 920 . 4 1 1 A 70 70 GLN CA C 70 57.800 58.033 -0.233 1
1 921 . 4 1 1 A 70 70 GLN CB C 70 28.100 28.262 -0.162 1
1 923 . 4 1 1 A 70 70 GLN N N 70 130.070 126.588 3.482 1
1 925 . 4 1 1 A 71 71 GLY H H 71 8.783 8.157 0.626 1
1 926 . 4 1 1 A 71 71 GLY HA2 H 71 4.598 4.064 0.534 1
1 927 . 4 1 1 A 71 71 GLY HA3 H 71 3.677 4.077 -0.400 1
1 928 . 4 1 1 A 71 71 GLY C C 71 173.924 174.296 -0.372 1
1 929 . 4 1 1 A 71 71 GLY CA C 71 44.941 45.673 -0.732 1
1 930 . 4 1 1 A 71 71 GLY N N 71 113.801 107.778 6.023 1
1 931 . 4 1 1 A 72 72 VAL H H 72 7.805 7.555 0.250 1
1 932 . 4 1 1 A 72 72 VAL HA H 72 3.723 3.893 -0.170 1
1 940 . 4 1 1 A 72 72 VAL C C 72 176.502 176.454 0.048 1
1 941 . 4 1 1 A 72 72 VAL CA C 72 64.020 62.353 1.667 1
1 942 . 4 1 1 A 72 72 VAL CB C 72 32.003 32.571 -0.568 1
1 945 . 4 1 1 A 72 72 VAL N N 72 120.334 120.513 -0.179 1
1 946 . 4 1 1 A 73 73 PHE H H 73 9.522 7.582 1.940 1
1 947 . 4 1 1 A 73 73 PHE HA H 73 5.109 4.935 0.174 1
1 955 . 4 1 1 A 73 73 PHE C C 73 176.502 174.425 2.077 1
1 956 . 4 1 1 A 73 73 PHE CA C 73 56.354 56.726 -0.372 1
1 957 . 4 1 1 A 73 73 PHE CB C 73 39.615 40.692 -1.077 1
1 961 . 4 1 1 A 73 73 PHE N N 73 127.542 121.548 5.994 1
1 962 . 4 1 1 A 74 74 THR H H 74 7.972 7.211 0.761 1
1 963 . 4 1 1 A 74 74 THR HA H 74 4.736 4.871 -0.135 1
1 968 . 4 1 1 A 74 74 THR C C 74 172.400 173.064 -0.664 1
1 969 . 4 1 1 A 74 74 THR CA C 74 60.604 60.700 -0.096 1
1 970 . 4 1 1 A 74 74 THR CB C 74 72.576 71.300 1.276 1
1 972 . 4 1 1 A 74 74 THR N N 74 111.809 109.811 1.998 1
1 973 . 4 1 1 A 75 75 VAL H H 75 8.584 8.819 -0.235 1
1 974 . 4 1 1 A 75 75 VAL HA H 75 4.878 4.989 -0.111 1
1 982 . 4 1 1 A 75 75 VAL C C 75 174.510 175.045 -0.535 1
1 983 . 4 1 1 A 75 75 VAL CA C 75 61.844 61.603 0.241 1
1 984 . 4 1 1 A 75 75 VAL CB C 75 34.500 34.088 0.412 1
1 987 . 4 1 1 A 75 75 VAL N N 75 122.820 125.229 -2.409 1
1 988 . 4 1 1 A 76 76 GLU H H 76 9.029 8.582 0.447 1
1 989 . 4 1 1 A 76 76 GLU HA H 76 4.861 4.922 -0.061 1
1 994 . 4 1 1 A 76 76 GLU C C 76 174.510 174.855 -0.345 1
1 995 . 4 1 1 A 76 76 GLU CA C 76 53.757 54.402 -0.645 1
1 996 . 4 1 1 A 76 76 GLU CB C 76 34.230 34.097 0.133 1
1 998 . 4 1 1 A 76 76 GLU N N 76 124.572 125.503 -0.931 1
1 999 . 4 1 1 A 77 77 ARG H H 77 8.962 8.531 0.431 1
1 1000 . 4 1 1 A 77 77 ARG HA H 77 4.736 4.805 -0.069 1
1 1008 . 4 1 1 A 77 77 ARG C C 77 176.502 176.054 0.448 1
1 1009 . 4 1 1 A 77 77 ARG CA C 77 55.521 56.446 -0.925 1
1 1010 . 4 1 1 A 77 77 ARG CB C 77 30.893 31.214 -0.321 1
1 1013 . 4 1 1 A 77 77 ARG N N 77 122.875 122.992 -0.117 1
1 1015 . 4 1 1 A 78 78 LEU H H 78 8.252 9.093 -0.841 1
1 1016 . 4 1 1 A 78 78 LEU HA H 78 4.505 4.594 -0.089 1
1 1026 . 4 1 1 A 78 78 LEU C C 78 176.737 176.993 -0.256 1
1 1027 . 4 1 1 A 78 78 LEU CA C 78 53.875 54.691 -0.816 1
1 1028 . 4 1 1 A 78 78 LEU CB C 78 43.228 41.295 1.933 1
1 1032 . 4 1 1 A 78 78 LEU N N 78 127.062 127.143 -0.081 1
1 1033 . 4 1 1 A 79 79 SER H H 79 8.635 8.968 -0.333 1
1 1034 . 4 1 1 A 79 79 SER HA H 79 4.492 4.501 -0.009 1
1 1037 . 4 1 1 A 79 79 SER C C 79 174.041 174.046 -0.005 1
1 1038 . 4 1 1 A 79 79 SER CA C 79 58.465 59.016 -0.551 1
1 1039 . 4 1 1 A 79 79 SER CB C 79 63.993 64.201 -0.208 1
1 1040 . 4 1 1 A 79 79 SER N N 79 118.446 120.543 -2.097 1
1 1041 . 4 1 1 A 80 80 ASN H H 80 8.421 7.841 0.580 1
1 1042 . 4 1 1 A 80 80 ASN HA H 80 4.668 5.143 -0.475 1
1 1047 . 4 1 1 A 80 80 ASN C C 80 175.096 173.855 1.241 1
1 1048 . 4 1 1 A 80 80 ASN CA C 80 53.300 52.407 0.893 1
1 1049 . 4 1 1 A 80 80 ASN CB C 80 38.300 39.400 -1.100 1
1 1050 . 4 1 1 A 80 80 ASN N N 80 119.339 118.724 0.615 1
1 1052 . 4 1 1 A 81 81 LEU H H 81 8.256 9.167 -0.911 1
1 1053 . 4 1 1 A 81 81 LEU HA H 81 4.258 5.050 -0.792 1
1 1063 . 4 1 1 A 81 81 LEU C C 81 177.323 176.664 0.659 1
1 1064 . 4 1 1 A 81 81 LEU CA C 81 55.263 53.200 2.063 1
1 1065 . 4 1 1 A 81 81 LEU CB C 81 41.756 44.834 -3.078 1
1 1069 . 4 1 1 A 81 81 LEU N N 81 121.238 124.888 -3.650 1
1 1070 . 4 1 1 A 82 82 GLU H H 82 8.282 8.573 -0.291 1
1 1071 . 4 1 1 A 82 82 GLU HA H 82 4.169 4.614 -0.445 1
1 1076 . 4 1 1 A 82 82 GLU C C 82 176.385 176.655 -0.270 1
1 1077 . 4 1 1 A 82 82 GLU CA C 82 56.762 55.471 1.291 1
1 1078 . 4 1 1 A 82 82 GLU CB C 82 29.997 29.970 0.027 1
1 1080 . 4 1 1 A 82 82 GLU N N 82 120.037 118.523 1.514 1
1 1081 . 4 1 1 A 83 83 HIS H H 83 8.195 7.715 0.480 1
1 1082 . 4 1 1 A 83 83 HIS HA H 83 4.535 4.445 0.090 1
1 1087 . 4 1 1 A 83 83 HIS C C 83 175.081 175.831 -0.750 1
1 1088 . 4 1 1 A 83 83 HIS CA C 83 55.951 56.179 -0.228 1
1 1089 . 4 1 1 A 83 83 HIS CB C 83 30.366 30.254 0.112 1
1 1 . 5 1 1 A 2 2 THR HA H 2 3.782 4.689 -0.907 1
1 6 . 5 1 1 A 2 2 THR C C 2 171.502 172.312 -0.810 1
1 7 . 5 1 1 A 2 2 THR CA C 2 61.906 60.664 1.242 1
1 8 . 5 1 1 A 2 2 THR CB C 2 69.449 69.775 -0.326 1
1 10 . 5 1 1 A 3 3 ASP H H 3 8.636 8.501 0.135 1
1 11 . 5 1 1 A 3 3 ASP HA H 3 4.803 5.054 -0.251 1
1 14 . 5 1 1 A 3 3 ASP C C 3 175.330 176.602 -1.272 1
1 15 . 5 1 1 A 3 3 ASP CA C 3 54.454 54.235 0.219 1
1 16 . 5 1 1 A 3 3 ASP CB C 3 41.426 41.140 0.286 1
1 17 . 5 1 1 A 3 3 ASP N N 3 125.850 123.597 2.253 1
1 18 . 5 1 1 A 4 4 PHE H H 4 8.608 8.789 -0.181 1
1 19 . 5 1 1 A 4 4 PHE HA H 4 5.042 5.921 -0.879 1
1 27 . 5 1 1 A 4 4 PHE C C 4 172.986 173.195 -0.209 1
1 28 . 5 1 1 A 4 4 PHE CA C 4 55.505 55.015 0.490 1
1 29 . 5 1 1 A 4 4 PHE CB C 4 41.288 42.205 -0.917 1
1 33 . 5 1 1 A 4 4 PHE N N 4 117.566 117.743 -0.177 1
1 34 . 5 1 1 A 5 5 LEU H H 5 8.498 8.590 -0.092 1
1 35 . 5 1 1 A 5 5 LEU HA H 5 4.532 3.788 0.744 1
1 45 . 5 1 1 A 5 5 LEU C C 5 175.330 174.750 0.580 1
1 46 . 5 1 1 A 5 5 LEU CA C 5 54.222 53.972 0.250 1
1 47 . 5 1 1 A 5 5 LEU CB C 5 42.932 42.188 0.744 1
1 51 . 5 1 1 A 5 5 LEU N N 5 123.329 122.206 1.123 1
1 52 . 5 1 1 A 6 6 ALA H H 6 9.325 8.645 0.680 1
1 53 . 5 1 1 A 6 6 ALA HA H 6 4.769 5.225 -0.456 1
1 57 . 5 1 1 A 6 6 ALA C C 6 174.744 176.528 -1.784 1
1 58 . 5 1 1 A 6 6 ALA CA C 6 50.500 50.600 -0.100 1
1 59 . 5 1 1 A 6 6 ALA CB C 6 23.746 22.077 1.669 1
1 60 . 5 1 1 A 6 6 ALA N N 6 129.530 130.275 -0.745 1
1 61 . 5 1 1 A 7 7 GLY H H 7 8.639 8.609 0.030 1
1 62 . 5 1 1 A 7 7 GLY HA2 H 7 5.721 4.279 1.442 1
1 63 . 5 1 1 A 7 7 GLY HA3 H 7 3.508 4.290 -0.782 1
1 64 . 5 1 1 A 7 7 GLY C C 7 173.221 171.765 1.456 1
1 65 . 5 1 1 A 7 7 GLY CA C 7 45.351 44.241 1.110 1
1 66 . 5 1 1 A 7 7 GLY N N 7 106.888 106.205 0.683 1
1 67 . 5 1 1 A 8 8 ILE H H 8 9.356 9.058 0.298 1
1 68 . 5 1 1 A 8 8 ILE HA H 8 4.957 4.989 -0.032 1
1 78 . 5 1 1 A 8 8 ILE C C 8 172.986 173.756 -0.770 1
1 79 . 5 1 1 A 8 8 ILE CA C 8 59.551 59.870 -0.319 1
1 80 . 5 1 1 A 8 8 ILE CB C 8 43.405 41.943 1.462 1
1 84 . 5 1 1 A 8 8 ILE N N 8 122.820 124.146 -1.326 1
1 85 . 5 1 1 A 9 9 ARG H H 9 9.364 9.633 -0.269 1
1 86 . 5 1 1 A 9 9 ARG HA H 9 5.609 5.230 0.379 1
1 94 . 5 1 1 A 9 9 ARG C C 9 175.096 174.560 0.536 1
1 95 . 5 1 1 A 9 9 ARG CA C 9 54.192 54.454 -0.262 1
1 96 . 5 1 1 A 9 9 ARG CB C 9 33.400 33.429 -0.029 1
1 99 . 5 1 1 A 9 9 ARG N N 9 126.323 128.010 -1.687 1
1 101 . 5 1 1 A 10 10 ILE H H 10 9.479 9.145 0.334 1
1 102 . 5 1 1 A 10 10 ILE HA H 10 5.089 4.757 0.332 1
1 112 . 5 1 1 A 10 10 ILE C C 10 174.275 174.293 -0.018 1
1 113 . 5 1 1 A 10 10 ILE CA C 10 60.127 59.800 0.327 1
1 114 . 5 1 1 A 10 10 ILE CB C 10 42.651 39.458 3.193 1
1 118 . 5 1 1 A 10 10 ILE N N 10 128.583 127.269 1.314 1
1 119 . 5 1 1 A 11 11 VAL H H 11 8.581 8.771 -0.190 1
1 120 . 5 1 1 A 11 11 VAL HA H 11 4.793 4.898 -0.105 1
1 128 . 5 1 1 A 11 11 VAL C C 11 175.827 174.673 1.154 1
1 129 . 5 1 1 A 11 11 VAL CA C 11 60.201 60.393 -0.192 1
1 130 . 5 1 1 A 11 11 VAL CB C 11 34.522 33.096 1.426 1
1 133 . 5 1 1 A 11 11 VAL N N 11 126.323 128.344 -2.021 1
1 134 . 5 1 1 A 12 12 GLY H H 12 7.713 7.364 0.349 1
1 135 . 5 1 1 A 12 12 GLY HA2 H 12 3.434 3.129 0.305 1
1 136 . 5 1 1 A 12 12 GLY HA3 H 12 3.563 3.783 -0.220 1
1 137 . 5 1 1 A 12 12 GLY C C 12 170.332 173.046 -2.714 1
1 138 . 5 1 1 A 12 12 GLY CA C 12 45.842 43.437 2.405 1
1 139 . 5 1 1 A 12 12 GLY N N 12 113.216 113.454 -0.238 1
1 140 . 5 1 1 A 13 13 GLU H H 13 8.180 8.342 -0.162 1
1 141 . 5 1 1 A 13 13 GLU HA H 13 4.387 4.412 -0.025 1
1 146 . 5 1 1 A 13 13 GLU C C 13 175.409 175.756 -0.347 1
1 147 . 5 1 1 A 13 13 GLU CA C 13 55.865 56.891 -1.026 1
1 148 . 5 1 1 A 13 13 GLU CB C 13 31.102 30.062 1.040 1
1 150 . 5 1 1 A 13 13 GLU N N 13 119.035 118.177 0.858 1
1 151 . 5 1 1 A 14 14 ASP H H 14 8.095 8.678 -0.583 1
1 152 . 5 1 1 A 14 14 ASP HA H 14 4.888 4.954 -0.066 1
1 155 . 5 1 1 A 14 14 ASP C C 14 174.991 175.179 -0.188 1
1 156 . 5 1 1 A 14 14 ASP CA C 14 52.473 54.322 -1.849 1
1 157 . 5 1 1 A 14 14 ASP CB C 14 40.364 41.098 -0.734 1
1 158 . 5 1 1 A 14 14 ASP N N 14 122.877 124.610 -1.733 1
1 159 . 5 1 1 A 15 15 LYS H H 15 7.345 8.774 -1.429 1
1 160 . 5 1 1 A 15 15 LYS HA H 15 4.550 4.852 -0.302 1
1 169 . 5 1 1 A 15 15 LYS C C 15 176.385 177.238 -0.853 1
1 170 . 5 1 1 A 15 15 LYS CA C 15 54.554 54.514 0.040 1
1 171 . 5 1 1 A 15 15 LYS CB C 15 35.403 35.959 -0.556 1
1 175 . 5 1 1 A 15 15 LYS N N 15 120.221 126.196 -5.975 1
1 176 . 5 1 1 A 16 16 ASN H H 16 9.025 8.966 0.059 1
1 177 . 5 1 1 A 16 16 ASN HA H 16 4.386 4.727 -0.341 1
1 182 . 5 1 1 A 16 16 ASN C C 16 175.916 175.694 0.222 1
1 183 . 5 1 1 A 16 16 ASN CA C 16 54.966 52.555 2.411 1
1 184 . 5 1 1 A 16 16 ASN CB C 16 37.810 37.484 0.326 1
1 185 . 5 1 1 A 16 16 ASN N N 16 119.785 119.264 0.521 1
1 187 . 5 1 1 A 17 17 GLY H H 17 8.780 7.910 0.870 1
1 188 . 5 1 1 A 17 17 GLY HA2 H 17 4.125 3.974 0.151 1
1 189 . 5 1 1 A 17 17 GLY HA3 H 17 3.970 3.993 -0.023 1
1 190 . 5 1 1 A 17 17 GLY C C 17 176.151 175.933 0.218 1
1 191 . 5 1 1 A 17 17 GLY CA C 17 45.996 45.449 0.547 1
1 192 . 5 1 1 A 17 17 GLY N N 17 110.504 108.428 2.076 1
1 193 . 5 1 1 A 18 18 MET H H 18 7.989 8.339 -0.350 1
1 194 . 5 1 1 A 18 18 MET HA H 18 4.359 4.113 0.246 1
1 202 . 5 1 1 A 18 18 MET C C 18 178.589 178.162 0.427 1
1 203 . 5 1 1 A 18 18 MET CA C 18 57.405 58.607 -1.202 1
1 204 . 5 1 1 A 18 18 MET CB C 18 31.847 32.601 -0.754 1
1 207 . 5 1 1 A 18 18 MET N N 18 121.860 120.934 0.926 1
1 208 . 5 1 1 A 19 19 THR H H 19 8.807 8.073 0.734 1
1 209 . 5 1 1 A 19 19 THR HA H 19 3.233 3.234 -0.001 1
1 215 . 5 1 1 A 19 19 THR C C 19 177.909 177.054 0.855 1
1 216 . 5 1 1 A 19 19 THR CA C 19 65.516 65.179 0.337 1
1 217 . 5 1 1 A 19 19 THR CB C 19 67.000 68.049 -1.049 1
1 219 . 5 1 1 A 19 19 THR N N 19 111.351 112.239 -0.888 1
1 220 . 5 1 1 A 20 20 ASN H H 20 7.936 7.618 0.318 1
1 221 . 5 1 1 A 20 20 ASN HA H 20 4.083 4.427 -0.344 1
1 226 . 5 1 1 A 20 20 ASN C C 20 176.854 177.640 -0.786 1
1 227 . 5 1 1 A 20 20 ASN CA C 20 57.669 55.730 1.939 1
1 228 . 5 1 1 A 20 20 ASN CB C 20 36.625 38.349 -1.724 1
1 229 . 5 1 1 A 20 20 ASN N N 20 121.577 120.315 1.262 1
1 231 . 5 1 1 A 21 21 GLN H H 21 8.433 8.533 -0.100 1
1 232 . 5 1 1 A 21 21 GLN HA H 21 4.046 4.013 0.033 1
1 239 . 5 1 1 A 21 21 GLN C C 21 179.550 178.276 1.274 1
1 240 . 5 1 1 A 21 21 GLN CA C 21 59.187 58.586 0.601 1
1 241 . 5 1 1 A 21 21 GLN CB C 21 28.512 28.053 0.459 1
1 243 . 5 1 1 A 21 21 GLN N N 21 120.250 117.199 3.051 1
1 245 . 5 1 1 A 22 22 ILE H H 22 8.779 7.969 0.810 1
1 246 . 5 1 1 A 22 22 ILE HA H 22 3.823 3.665 0.158 1
1 256 . 5 1 1 A 22 22 ILE C C 22 176.854 177.717 -0.863 1
1 257 . 5 1 1 A 22 22 ILE CA C 22 61.611 65.448 -3.837 1
1 258 . 5 1 1 A 22 22 ILE CB C 22 36.935 38.032 -1.097 1
1 262 . 5 1 1 A 22 22 ILE N N 22 119.497 121.229 -1.732 1
1 263 . 5 1 1 A 23 23 THR H H 23 7.478 8.120 -0.642 1
1 264 . 5 1 1 A 23 23 THR HA H 23 3.523 3.916 -0.393 1
1 270 . 5 1 1 A 23 23 THR C C 23 176.502 176.838 -0.336 1
1 271 . 5 1 1 A 23 23 THR CA C 23 67.006 66.347 0.659 1
1 272 . 5 1 1 A 23 23 THR CB C 23 67.305 68.359 -1.054 1
1 274 . 5 1 1 A 23 23 THR N N 23 115.702 116.094 -0.392 1
1 275 . 5 1 1 A 24 24 GLY H H 24 8.011 8.372 -0.361 1
1 276 . 5 1 1 A 24 24 GLY HA2 H 24 3.880 3.658 0.222 1
1 277 . 5 1 1 A 24 24 GLY HA3 H 24 3.672 3.667 0.005 1
1 278 . 5 1 1 A 24 24 GLY C C 24 176.385 175.979 0.406 1
1 279 . 5 1 1 A 24 24 GLY CA C 24 47.163 47.230 -0.067 1
1 280 . 5 1 1 A 24 24 GLY N N 24 110.691 108.096 2.595 1
1 281 . 5 1 1 A 25 25 VAL H H 25 7.898 7.985 -0.087 1
1 282 . 5 1 1 A 25 25 VAL HA H 25 3.473 3.656 -0.183 1
1 290 . 5 1 1 A 25 25 VAL C C 25 178.286 177.481 0.805 1
1 291 . 5 1 1 A 25 25 VAL CA C 25 66.432 65.802 0.630 1
1 292 . 5 1 1 A 25 25 VAL CB C 25 31.925 31.821 0.104 1
1 295 . 5 1 1 A 25 25 VAL N N 25 123.276 121.429 1.847 1
1 296 . 5 1 1 A 26 26 ILE H H 26 7.646 7.841 -0.195 1
1 297 . 5 1 1 A 26 26 ILE HA H 26 2.698 2.124 0.574 1
1 307 . 5 1 1 A 26 26 ILE C C 26 177.440 177.949 -0.509 1
1 308 . 5 1 1 A 26 26 ILE CA C 26 64.163 64.656 -0.493 1
1 309 . 5 1 1 A 26 26 ILE CB C 26 37.876 37.514 0.362 1
1 313 . 5 1 1 A 26 26 ILE N N 26 116.606 120.124 -3.518 1
1 314 . 5 1 1 A 27 27 SER H H 27 7.783 7.930 -0.147 1
1 315 . 5 1 1 A 27 27 SER HA H 27 3.908 4.120 -0.212 1
1 319 . 5 1 1 A 27 27 SER C C 27 175.330 175.674 -0.344 1
1 320 . 5 1 1 A 27 27 SER CA C 27 61.465 61.071 0.394 1
1 321 . 5 1 1 A 27 27 SER CB C 27 63.388 62.744 0.644 1
1 322 . 5 1 1 A 27 27 SER N N 27 112.932 115.513 -2.581 1
1 323 . 5 1 1 A 28 28 LYS H H 28 7.008 7.563 -0.555 1
1 324 . 5 1 1 A 28 28 LYS HA H 28 4.234 4.262 -0.028 1
1 333 . 5 1 1 A 28 28 LYS C C 28 177.323 177.169 0.154 1
1 334 . 5 1 1 A 28 28 LYS CA C 28 56.161 56.515 -0.354 1
1 335 . 5 1 1 A 28 28 LYS CB C 28 32.742 32.617 0.125 1
1 339 . 5 1 1 A 28 28 LYS N N 28 118.978 119.163 -0.185 1
1 340 . 5 1 1 A 29 29 PHE H H 29 7.691 7.317 0.374 1
1 341 . 5 1 1 A 29 29 PHE HA H 29 4.576 4.525 0.051 1
1 349 . 5 1 1 A 29 29 PHE C C 29 175.841 176.014 -0.173 1
1 350 . 5 1 1 A 29 29 PHE CA C 29 56.366 58.327 -1.961 1
1 351 . 5 1 1 A 29 29 PHE CB C 29 38.723 40.137 -1.414 1
1 355 . 5 1 1 A 29 29 PHE N N 29 120.755 119.936 0.819 1
1 356 . 5 1 1 A 30 30 ASP H H 30 8.388 8.717 -0.329 1
1 357 . 5 1 1 A 30 30 ASP HA H 30 4.650 4.629 0.021 1
1 360 . 5 1 1 A 30 30 ASP C C 30 175.096 176.232 -1.136 1
1 361 . 5 1 1 A 30 30 ASP CA C 30 53.331 56.237 -2.906 1
1 362 . 5 1 1 A 30 30 ASP CB C 30 38.691 42.085 -3.394 1
1 363 . 5 1 1 A 30 30 ASP N N 30 122.230 120.847 1.383 1
1 364 . 5 1 1 A 31 31 THR H H 31 7.663 7.688 -0.025 1
1 365 . 5 1 1 A 31 31 THR HA H 31 4.558 4.427 0.131 1
1 370 . 5 1 1 A 31 31 THR C C 31 173.297 173.525 -0.228 1
1 371 . 5 1 1 A 31 31 THR CA C 31 59.333 61.179 -1.846 1
1 372 . 5 1 1 A 31 31 THR CB C 31 70.319 70.543 -0.224 1
1 374 . 5 1 1 A 31 31 THR N N 31 112.538 115.096 -2.558 1
1 375 . 5 1 1 A 32 32 ASN H H 32 8.308 8.722 -0.414 1
1 376 . 5 1 1 A 32 32 ASN HA H 32 4.910 5.271 -0.361 1
1 381 . 5 1 1 A 32 32 ASN C C 32 175.447 174.822 0.625 1
1 382 . 5 1 1 A 32 32 ASN CA C 32 52.732 52.079 0.653 1
1 383 . 5 1 1 A 32 32 ASN CB C 32 39.337 40.923 -1.586 1
1 384 . 5 1 1 A 32 32 ASN N N 32 121.973 123.590 -1.617 1
1 386 . 5 1 1 A 33 33 ILE H H 33 8.320 8.975 -0.655 1
1 387 . 5 1 1 A 33 33 ILE HA H 33 3.846 4.163 -0.317 1
1 397 . 5 1 1 A 33 33 ILE C C 33 175.230 175.317 -0.087 1
1 398 . 5 1 1 A 33 33 ILE CA C 33 63.300 61.780 1.520 1
1 399 . 5 1 1 A 33 33 ILE CB C 33 39.167 36.938 2.229 1
1 403 . 5 1 1 A 33 33 ILE N N 33 125.984 126.352 -0.368 1
1 404 . 5 1 1 A 34 34 ARG H H 34 8.858 8.626 0.232 1
1 405 . 5 1 1 A 34 34 ARG HA H 34 4.538 4.373 0.165 1
1 413 . 5 1 1 A 34 34 ARG C C 34 175.565 176.534 -0.969 1
1 414 . 5 1 1 A 34 34 ARG CA C 34 54.900 58.012 -3.112 1
1 415 . 5 1 1 A 34 34 ARG CB C 34 30.275 30.913 -0.638 1
1 418 . 5 1 1 A 34 34 ARG N N 34 126.537 128.792 -2.255 1
1 420 . 5 1 1 A 35 35 THR H H 35 7.698 7.462 0.236 1
1 421 . 5 1 1 A 35 35 THR HA H 35 5.311 4.985 0.326 1
1 426 . 5 1 1 A 35 35 THR C C 35 173.807 172.189 1.618 1
1 427 . 5 1 1 A 35 35 THR CA C 35 61.040 61.175 -0.135 1
1 428 . 5 1 1 A 35 35 THR CB C 35 74.055 72.510 1.545 1
1 430 . 5 1 1 A 35 35 THR N N 35 111.895 111.529 0.366 1
1 431 . 5 1 1 A 36 36 ILE H H 36 8.907 9.121 -0.214 1
1 432 . 5 1 1 A 36 36 ILE HA H 36 4.753 5.293 -0.540 1
1 442 . 5 1 1 A 36 36 ILE C C 36 174.275 173.534 0.741 1
1 443 . 5 1 1 A 36 36 ILE CA C 36 61.400 59.734 1.666 1
1 444 . 5 1 1 A 36 36 ILE CB C 36 42.569 41.601 0.968 1
1 448 . 5 1 1 A 36 36 ILE N N 36 123.257 127.881 -4.624 1
1 449 . 5 1 1 A 37 37 VAL H H 37 8.933 9.159 -0.226 1
1 450 . 5 1 1 A 37 37 VAL HA H 37 4.903 4.613 0.290 1
1 458 . 5 1 1 A 37 37 VAL C C 37 174.684 174.002 0.682 1
1 459 . 5 1 1 A 37 37 VAL CA C 37 62.100 61.565 0.535 1
1 460 . 5 1 1 A 37 37 VAL CB C 37 34.186 34.142 0.044 1
1 463 . 5 1 1 A 37 37 VAL N N 37 126.323 128.967 -2.644 1
1 464 . 5 1 1 A 38 38 LEU H H 38 9.751 8.977 0.774 1
1 465 . 5 1 1 A 38 38 LEU HA H 38 5.636 5.497 0.139 1
1 475 . 5 1 1 A 38 38 LEU C C 38 174.510 175.029 -0.519 1
1 476 . 5 1 1 A 38 38 LEU CA C 38 53.810 53.801 0.009 1
1 477 . 5 1 1 A 38 38 LEU CB C 38 45.655 44.410 1.245 1
1 481 . 5 1 1 A 38 38 LEU N N 38 133.332 130.017 3.315 1
1 482 . 5 1 1 A 39 39 ASN H H 39 8.952 9.078 -0.126 1
1 483 . 5 1 1 A 39 39 ASN HA H 39 5.450 5.632 -0.182 1
1 488 . 5 1 1 A 39 39 ASN C C 39 172.869 173.406 -0.537 1
1 489 . 5 1 1 A 39 39 ASN CA C 39 53.137 51.462 1.675 1
1 490 . 5 1 1 A 39 39 ASN CB C 39 43.287 41.578 1.709 1
1 491 . 5 1 1 A 39 39 ASN N N 39 123.262 123.497 -0.235 1
1 493 . 5 1 1 A 40 40 ALA H H 40 8.467 9.132 -0.665 1
1 494 . 5 1 1 A 40 40 ALA HA H 40 5.345 5.554 -0.209 1
1 498 . 5 1 1 A 40 40 ALA C C 40 175.447 176.885 -1.438 1
1 499 . 5 1 1 A 40 40 ALA CA C 40 51.370 50.831 0.539 1
1 500 . 5 1 1 A 40 40 ALA CB C 40 20.975 20.571 0.404 1
1 501 . 5 1 1 A 40 40 ALA N N 40 127.058 126.520 0.538 1
1 502 . 5 1 1 A 41 41 LYS H H 41 8.865 8.886 -0.021 1
1 503 . 5 1 1 A 41 41 LYS HA H 41 4.435 4.907 -0.472 1
1 512 . 5 1 1 A 41 41 LYS C C 41 175.565 175.527 0.038 1
1 513 . 5 1 1 A 41 41 LYS CA C 41 56.736 54.880 1.856 1
1 514 . 5 1 1 A 41 41 LYS CB C 41 34.811 36.122 -1.311 1
1 518 . 5 1 1 A 41 41 LYS N N 41 121.996 120.360 1.636 1
1 519 . 5 1 1 A 42 42 ASP H H 42 9.197 9.506 -0.309 1
1 520 . 5 1 1 A 42 42 ASP HA H 42 4.373 4.336 0.037 1
1 523 . 5 1 1 A 42 42 ASP C C 42 175.447 175.437 0.010 1
1 524 . 5 1 1 A 42 42 ASP CA C 42 55.547 55.127 0.420 1
1 525 . 5 1 1 A 42 42 ASP CB C 42 39.485 39.923 -0.438 1
1 526 . 5 1 1 A 42 42 ASP N N 42 122.213 120.229 1.984 1
1 527 . 5 1 1 A 43 43 GLY H H 43 9.306 8.467 0.839 1
1 528 . 5 1 1 A 43 43 GLY HA2 H 43 4.443 3.916 0.527 1
1 529 . 5 1 1 A 43 43 GLY HA3 H 43 3.816 3.924 -0.108 1
1 530 . 5 1 1 A 43 43 GLY C C 43 174.979 173.874 1.105 1
1 531 . 5 1 1 A 43 43 GLY CA C 43 45.661 45.316 0.345 1
1 532 . 5 1 1 A 43 43 GLY N N 43 104.610 104.848 -0.238 1
1 533 . 5 1 1 A 44 44 ILE H H 44 8.117 7.906 0.211 1
1 534 . 5 1 1 A 44 44 ILE HA H 44 5.112 4.861 0.251 1
1 544 . 5 1 1 A 44 44 ILE C C 44 175.213 174.883 0.330 1
1 545 . 5 1 1 A 44 44 ILE CA C 44 59.040 59.554 -0.514 1
1 546 . 5 1 1 A 44 44 ILE CB C 44 42.013 40.737 1.276 1
1 550 . 5 1 1 A 44 44 ILE N N 44 122.284 122.169 0.115 1
1 551 . 5 1 1 A 45 45 PHE H H 45 8.955 8.710 0.245 1
1 552 . 5 1 1 A 45 45 PHE HA H 45 5.740 6.001 -0.261 1
1 560 . 5 1 1 A 45 45 PHE C C 45 172.283 172.609 -0.326 1
1 561 . 5 1 1 A 45 45 PHE CA C 45 55.872 55.071 0.801 1
1 562 . 5 1 1 A 45 45 PHE CB C 45 42.740 42.831 -0.091 1
1 566 . 5 1 1 A 45 45 PHE N N 45 121.747 120.293 1.454 1
1 567 . 5 1 1 A 46 46 THR H H 46 8.659 9.091 -0.432 1
1 568 . 5 1 1 A 46 46 THR HA H 46 5.111 5.365 -0.254 1
1 574 . 5 1 1 A 46 46 THR C C 46 174.041 172.451 1.590 1
1 575 . 5 1 1 A 46 46 THR CA C 46 59.750 60.335 -0.585 1
1 576 . 5 1 1 A 46 46 THR CB C 46 71.380 71.164 0.216 1
1 578 . 5 1 1 A 46 46 THR N N 46 113.420 116.785 -3.365 1
1 579 . 5 1 1 A 47 47 CYS H H 47 9.619 9.548 0.071 1
1 580 . 5 1 1 A 47 47 CYS HA H 47 5.562 4.958 0.604 1
1 584 . 5 1 1 A 47 47 CYS C C 47 172.283 173.174 -0.891 1
1 585 . 5 1 1 A 47 47 CYS CA C 47 56.776 57.461 -0.685 1
1 586 . 5 1 1 A 47 47 CYS CB C 47 29.112 29.102 0.010 1
1 587 . 5 1 1 A 47 47 CYS N N 47 124.781 130.031 -5.250 1
1 588 . 5 1 1 A 48 48 ASN H H 48 9.293 9.502 -0.209 1
1 589 . 5 1 1 A 48 48 ASN HA H 48 5.629 5.332 0.297 1
1 594 . 5 1 1 A 48 48 ASN C C 48 173.455 173.731 -0.276 1
1 595 . 5 1 1 A 48 48 ASN CA C 48 51.962 52.444 -0.482 1
1 596 . 5 1 1 A 48 48 ASN CB C 48 40.059 39.180 0.879 1
1 597 . 5 1 1 A 48 48 ASN N N 48 129.520 125.712 3.808 1
1 599 . 5 1 1 A 49 49 LEU H H 49 9.435 9.210 0.225 1
1 600 . 5 1 1 A 49 49 LEU HA H 49 5.158 4.976 0.182 1
1 610 . 5 1 1 A 49 49 LEU C C 49 174.510 174.530 -0.020 1
1 611 . 5 1 1 A 49 49 LEU CA C 49 53.178 53.701 -0.523 1
1 612 . 5 1 1 A 49 49 LEU CB C 49 46.402 44.363 2.039 1
1 616 . 5 1 1 A 49 49 LEU N N 49 125.541 127.441 -1.900 1
1 617 . 5 1 1 A 50 50 MET H H 50 8.978 9.202 -0.224 1
1 618 . 5 1 1 A 50 50 MET HA H 50 5.723 5.403 0.320 1
1 626 . 5 1 1 A 50 50 MET C C 50 175.682 174.900 0.782 1
1 627 . 5 1 1 A 50 50 MET CA C 50 54.073 54.060 0.013 1
1 628 . 5 1 1 A 50 50 MET CB C 50 33.643 34.637 -0.994 1
1 631 . 5 1 1 A 50 50 MET N N 50 123.131 125.093 -1.962 1
1 632 . 5 1 1 A 51 51 ILE H H 51 9.056 8.701 0.355 1
1 633 . 5 1 1 A 51 51 ILE HA H 51 5.044 5.083 -0.039 1
1 643 . 5 1 1 A 51 51 ILE C C 51 173.689 174.263 -0.574 1
1 644 . 5 1 1 A 51 51 ILE CA C 51 58.495 58.934 -0.439 1
1 645 . 5 1 1 A 51 51 ILE CB C 51 41.447 42.416 -0.969 1
1 649 . 5 1 1 A 51 51 ILE N N 51 118.753 117.890 0.863 1
1 650 . 5 1 1 A 52 52 PHE H H 52 8.324 8.540 -0.216 1
1 651 . 5 1 1 A 52 52 PHE HA H 52 5.345 5.098 0.247 1
1 659 . 5 1 1 A 52 52 PHE C C 52 176.084 175.505 0.579 1
1 660 . 5 1 1 A 52 52 PHE CA C 52 56.478 57.186 -0.708 1
1 661 . 5 1 1 A 52 52 PHE CB C 52 40.520 40.612 -0.092 1
1 665 . 5 1 1 A 52 52 PHE N N 52 120.910 121.541 -0.631 1
1 666 . 5 1 1 A 53 53 VAL H H 53 8.865 8.476 0.389 1
1 667 . 5 1 1 A 53 53 VAL HA H 53 4.663 4.623 0.040 1
1 675 . 5 1 1 A 53 53 VAL C C 53 174.812 176.232 -1.420 1
1 676 . 5 1 1 A 53 53 VAL CA C 53 58.881 58.982 -0.101 1
1 677 . 5 1 1 A 53 53 VAL CB C 53 35.707 34.771 0.936 1
1 680 . 5 1 1 A 53 53 VAL N N 53 118.244 115.713 2.531 1
1 681 . 5 1 1 A 54 54 LYS H H 54 8.335 8.551 -0.216 1
1 682 . 5 1 1 A 54 54 LYS HA H 54 4.324 4.168 0.156 1
1 691 . 5 1 1 A 54 54 LYS C C 54 176.655 176.450 0.205 1
1 692 . 5 1 1 A 54 54 LYS CA C 54 58.039 58.187 -0.148 1
1 693 . 5 1 1 A 54 54 LYS CB C 54 33.974 32.335 1.639 1
1 697 . 5 1 1 A 54 54 LYS N N 54 120.334 121.875 -1.541 1
1 698 . 5 1 1 A 55 55 ASN H H 55 7.235 7.666 -0.431 1
1 699 . 5 1 1 A 55 55 ASN HA H 55 4.888 5.213 -0.325 1
1 704 . 5 1 1 A 55 55 ASN C C 55 175.083 175.205 -0.122 1
1 705 . 5 1 1 A 55 55 ASN CA C 55 52.173 52.065 0.108 1
1 706 . 5 1 1 A 55 55 ASN CB C 55 39.333 40.003 -0.670 1
1 707 . 5 1 1 A 55 55 ASN N N 55 108.018 113.980 -5.962 1
1 709 . 5 1 1 A 56 56 THR H H 56 8.865 8.638 0.227 1
1 710 . 5 1 1 A 56 56 THR HA H 56 4.036 4.180 -0.144 1
1 715 . 5 1 1 A 56 56 THR C C 56 178.637 176.528 2.109 1
1 716 . 5 1 1 A 56 56 THR CA C 56 65.800 66.129 -0.329 1
1 717 . 5 1 1 A 56 56 THR CB C 56 68.341 68.364 -0.023 1
1 719 . 5 1 1 A 56 56 THR N N 56 113.338 112.541 0.797 1
1 720 . 5 1 1 A 57 57 ASP H H 57 8.384 8.450 -0.066 1
1 721 . 5 1 1 A 57 57 ASP HA H 57 4.467 4.320 0.147 1
1 724 . 5 1 1 A 57 57 ASP CA C 57 57.400 57.811 -0.411 1
1 725 . 5 1 1 A 57 57 ASP CB C 57 39.938 41.817 -1.879 1
1 726 . 5 1 1 A 57 57 ASP N N 57 124.402 122.091 2.311 1
1 727 . 5 1 1 A 58 58 LYS H H 58 8.266 8.296 -0.030 1
1 728 . 5 1 1 A 58 58 LYS HA H 58 4.172 4.032 0.140 1
1 740 . 5 1 1 A 58 58 LYS C C 58 178.378 178.744 -0.366 1
1 741 . 5 1 1 A 58 58 LYS CA C 58 57.695 59.276 -1.581 1
1 742 . 5 1 1 A 58 58 LYS CB C 58 31.763 32.011 -0.248 1
1 746 . 5 1 1 A 58 58 LYS N N 58 120.194 120.390 -0.196 1
1 747 . 5 1 1 A 59 59 LEU H H 59 7.302 7.459 -0.157 1
1 748 . 5 1 1 A 59 59 LEU HA H 59 3.907 3.937 -0.030 1
1 758 . 5 1 1 A 59 59 LEU C C 59 177.909 178.322 -0.413 1
1 759 . 5 1 1 A 59 59 LEU CA C 59 57.979 58.086 -0.107 1
1 760 . 5 1 1 A 59 59 LEU CB C 59 41.727 41.541 0.186 1
1 764 . 5 1 1 A 59 59 LEU N N 59 118.583 121.014 -2.431 1
1 765 . 5 1 1 A 60 60 THR H H 60 8.500 8.182 0.318 1
1 766 . 5 1 1 A 60 60 THR HA H 60 3.845 4.082 -0.237 1
1 771 . 5 1 1 A 60 60 THR C C 60 176.502 177.350 -0.848 1
1 772 . 5 1 1 A 60 60 THR CA C 60 66.691 65.531 1.160 1
1 773 . 5 1 1 A 60 60 THR CB C 60 68.390 68.432 -0.042 1
1 775 . 5 1 1 A 60 60 THR N N 60 115.462 111.723 3.739 1
1 776 . 5 1 1 A 61 61 THR H H 61 7.996 7.894 0.102 1
1 777 . 5 1 1 A 61 61 THR HA H 61 4.053 3.912 0.141 1
1 782 . 5 1 1 A 61 61 THR C C 61 176.502 176.535 -0.033 1
1 783 . 5 1 1 A 61 61 THR CA C 61 66.420 67.191 -0.771 1
1 784 . 5 1 1 A 61 61 THR CB C 61 68.549 67.760 0.789 1
1 786 . 5 1 1 A 61 61 THR N N 61 117.698 116.762 0.936 1
1 787 . 5 1 1 A 62 62 LEU H H 62 7.717 7.834 -0.117 1
1 788 . 5 1 1 A 62 62 LEU HA H 62 3.542 3.702 -0.160 1
1 798 . 5 1 1 A 62 62 LEU C C 62 178.612 179.256 -0.644 1
1 799 . 5 1 1 A 62 62 LEU CA C 62 57.988 57.708 0.280 1
1 800 . 5 1 1 A 62 62 LEU CB C 62 40.241 41.056 -0.815 1
1 804 . 5 1 1 A 62 62 LEU N N 62 122.534 120.913 1.621 1
1 805 . 5 1 1 A 63 63 MET H H 63 8.230 8.031 0.199 1
1 806 . 5 1 1 A 63 63 MET HA H 63 3.771 4.236 -0.465 1
1 814 . 5 1 1 A 63 63 MET C C 63 177.674 178.129 -0.455 1
1 815 . 5 1 1 A 63 63 MET CA C 63 60.699 57.972 2.727 1
1 816 . 5 1 1 A 63 63 MET CB C 63 33.024 32.462 0.562 1
1 819 . 5 1 1 A 63 63 MET N N 63 116.719 118.212 -1.493 1
1 820 . 5 1 1 A 64 64 ASP H H 64 8.263 7.966 0.297 1
1 821 . 5 1 1 A 64 64 ASP HA H 64 4.401 4.328 0.073 1
1 824 . 5 1 1 A 64 64 ASP C C 64 178.378 178.592 -0.214 1
1 825 . 5 1 1 A 64 64 ASP CA C 64 57.400 57.354 0.046 1
1 826 . 5 1 1 A 64 64 ASP CB C 64 40.703 41.473 -0.770 1
1 827 . 5 1 1 A 64 64 ASP N N 64 118.611 120.682 -2.071 1
1 828 . 5 1 1 A 65 65 LYS H H 65 7.755 7.639 0.116 1
1 829 . 5 1 1 A 65 65 LYS HA H 65 3.970 4.093 -0.123 1
1 838 . 5 1 1 A 65 65 LYS C C 65 179.922 179.390 0.532 1
1 839 . 5 1 1 A 65 65 LYS CA C 65 59.466 59.273 0.193 1
1 840 . 5 1 1 A 65 65 LYS CB C 65 32.372 32.645 -0.273 1
1 844 . 5 1 1 A 65 65 LYS N N 65 118.452 118.894 -0.442 1
1 845 . 5 1 1 A 66 66 LEU H H 66 7.768 8.442 -0.674 1
1 846 . 5 1 1 A 66 66 LEU HA H 66 4.066 4.121 -0.055 1
1 856 . 5 1 1 A 66 66 LEU C C 66 177.557 178.244 -0.687 1
1 857 . 5 1 1 A 66 66 LEU CA C 66 57.550 57.272 0.278 1
1 858 . 5 1 1 A 66 66 LEU CB C 66 43.218 41.233 1.985 1
1 862 . 5 1 1 A 66 66 LEU N N 66 118.471 120.000 -1.529 1
1 863 . 5 1 1 A 67 67 ARG H H 67 8.017 8.039 -0.022 1
1 864 . 5 1 1 A 67 67 ARG HA H 67 3.855 4.126 -0.271 1
1 872 . 5 1 1 A 67 67 ARG C C 67 177.440 178.146 -0.706 1
1 873 . 5 1 1 A 67 67 ARG CA C 67 58.584 58.553 0.031 1
1 874 . 5 1 1 A 67 67 ARG CB C 67 30.313 30.042 0.271 1
1 877 . 5 1 1 A 67 67 ARG N N 67 115.702 120.383 -4.681 1
1 879 . 5 1 1 A 68 68 LYS H H 68 7.168 7.472 -0.304 1
1 880 . 5 1 1 A 68 68 LYS HA H 68 4.198 4.322 -0.124 1
1 889 . 5 1 1 A 68 68 LYS C C 68 176.502 176.584 -0.082 1
1 890 . 5 1 1 A 68 68 LYS CA C 68 56.149 57.256 -1.107 1
1 891 . 5 1 1 A 68 68 LYS CB C 68 32.725 32.406 0.319 1
1 895 . 5 1 1 A 68 68 LYS N N 68 115.213 117.550 -2.337 1
1 896 . 5 1 1 A 69 69 VAL H H 69 7.348 7.722 -0.374 1
1 897 . 5 1 1 A 69 69 VAL HA H 69 3.776 4.226 -0.450 1
1 905 . 5 1 1 A 69 69 VAL C C 69 175.916 176.959 -1.043 1
1 906 . 5 1 1 A 69 69 VAL CA C 69 63.134 62.547 0.587 1
1 907 . 5 1 1 A 69 69 VAL CB C 69 31.075 31.974 -0.899 1
1 910 . 5 1 1 A 69 69 VAL N N 69 123.611 120.376 3.235 1
1 911 . 5 1 1 A 70 70 GLN H H 70 8.632 8.641 -0.009 1
1 912 . 5 1 1 A 70 70 GLN HA H 70 4.072 4.127 -0.055 1
1 919 . 5 1 1 A 70 70 GLN C C 70 176.151 177.315 -1.164 1
1 920 . 5 1 1 A 70 70 GLN CA C 70 57.800 58.006 -0.206 1
1 921 . 5 1 1 A 70 70 GLN CB C 70 28.100 28.272 -0.172 1
1 923 . 5 1 1 A 70 70 GLN N N 70 130.070 126.739 3.331 1
1 925 . 5 1 1 A 71 71 GLY H H 71 8.783 8.204 0.579 1
1 926 . 5 1 1 A 71 71 GLY HA2 H 71 4.598 4.048 0.550 1
1 927 . 5 1 1 A 71 71 GLY HA3 H 71 3.677 4.067 -0.390 1
1 928 . 5 1 1 A 71 71 GLY C C 71 173.924 174.058 -0.134 1
1 929 . 5 1 1 A 71 71 GLY CA C 71 44.941 45.576 -0.635 1
1 930 . 5 1 1 A 71 71 GLY N N 71 113.801 107.875 5.926 1
1 931 . 5 1 1 A 72 72 VAL H H 72 7.805 7.773 0.032 1
1 932 . 5 1 1 A 72 72 VAL HA H 72 3.723 3.873 -0.150 1
1 940 . 5 1 1 A 72 72 VAL C C 72 176.502 175.737 0.765 1
1 941 . 5 1 1 A 72 72 VAL CA C 72 64.020 62.158 1.862 1
1 942 . 5 1 1 A 72 72 VAL CB C 72 32.003 32.298 -0.295 1
1 945 . 5 1 1 A 72 72 VAL N N 72 120.334 120.117 0.217 1
1 946 . 5 1 1 A 73 73 PHE H H 73 9.522 7.463 2.059 1
1 947 . 5 1 1 A 73 73 PHE HA H 73 5.109 4.788 0.321 1
1 955 . 5 1 1 A 73 73 PHE C C 73 176.502 174.811 1.691 1
1 956 . 5 1 1 A 73 73 PHE CA C 73 56.354 56.701 -0.347 1
1 957 . 5 1 1 A 73 73 PHE CB C 73 39.615 40.068 -0.453 1
1 961 . 5 1 1 A 73 73 PHE N N 73 127.542 123.040 4.502 1
1 962 . 5 1 1 A 74 74 THR H H 74 7.972 7.523 0.449 1
1 963 . 5 1 1 A 74 74 THR HA H 74 4.736 4.872 -0.136 1
1 968 . 5 1 1 A 74 74 THR C C 74 172.400 173.646 -1.246 1
1 969 . 5 1 1 A 74 74 THR CA C 74 60.604 60.451 0.153 1
1 970 . 5 1 1 A 74 74 THR CB C 74 72.576 71.236 1.340 1
1 972 . 5 1 1 A 74 74 THR N N 74 111.809 110.737 1.072 1
1 973 . 5 1 1 A 75 75 VAL H H 75 8.584 8.998 -0.414 1
1 974 . 5 1 1 A 75 75 VAL HA H 75 4.878 4.742 0.136 1
1 982 . 5 1 1 A 75 75 VAL C C 75 174.510 174.857 -0.347 1
1 983 . 5 1 1 A 75 75 VAL CA C 75 61.844 61.630 0.214 1
1 984 . 5 1 1 A 75 75 VAL CB C 75 34.500 33.733 0.767 1
1 987 . 5 1 1 A 75 75 VAL N N 75 122.820 125.365 -2.545 1
1 988 . 5 1 1 A 76 76 GLU H H 76 9.029 8.991 0.038 1
1 989 . 5 1 1 A 76 76 GLU HA H 76 4.861 5.024 -0.163 1
1 994 . 5 1 1 A 76 76 GLU C C 76 174.510 174.716 -0.206 1
1 995 . 5 1 1 A 76 76 GLU CA C 76 53.757 54.297 -0.540 1
1 996 . 5 1 1 A 76 76 GLU CB C 76 34.230 33.433 0.797 1
1 998 . 5 1 1 A 76 76 GLU N N 76 124.572 124.400 0.172 1
1 999 . 5 1 1 A 77 77 ARG H H 77 8.962 8.524 0.438 1
1 1000 . 5 1 1 A 77 77 ARG HA H 77 4.736 4.796 -0.060 1
1 1008 . 5 1 1 A 77 77 ARG C C 77 176.502 175.861 0.641 1
1 1009 . 5 1 1 A 77 77 ARG CA C 77 55.521 56.224 -0.703 1
1 1010 . 5 1 1 A 77 77 ARG CB C 77 30.893 31.401 -0.508 1
1 1013 . 5 1 1 A 77 77 ARG N N 77 122.875 123.562 -0.687 1
1 1015 . 5 1 1 A 78 78 LEU H H 78 8.252 9.047 -0.795 1
1 1016 . 5 1 1 A 78 78 LEU HA H 78 4.505 4.435 0.070 1
1 1026 . 5 1 1 A 78 78 LEU C C 78 176.737 178.011 -1.274 1
1 1027 . 5 1 1 A 78 78 LEU CA C 78 53.875 54.727 -0.852 1
1 1028 . 5 1 1 A 78 78 LEU CB C 78 43.228 40.909 2.319 1
1 1032 . 5 1 1 A 78 78 LEU N N 78 127.062 127.912 -0.850 1
1 1033 . 5 1 1 A 79 79 SER H H 79 8.635 8.786 -0.151 1
1 1034 . 5 1 1 A 79 79 SER HA H 79 4.492 4.360 0.132 1
1 1037 . 5 1 1 A 79 79 SER C C 79 174.041 174.396 -0.355 1
1 1038 . 5 1 1 A 79 79 SER CA C 79 58.465 61.504 -3.039 1
1 1039 . 5 1 1 A 79 79 SER CB C 79 63.993 63.155 0.838 1
1 1040 . 5 1 1 A 79 79 SER N N 79 118.446 120.087 -1.641 1
1 1041 . 5 1 1 A 80 80 ASN H H 80 8.421 7.813 0.608 1
1 1042 . 5 1 1 A 80 80 ASN HA H 80 4.668 4.636 0.032 1
1 1047 . 5 1 1 A 80 80 ASN C C 80 175.096 173.952 1.144 1
1 1048 . 5 1 1 A 80 80 ASN CA C 80 53.300 53.266 0.034 1
1 1049 . 5 1 1 A 80 80 ASN CB C 80 38.300 38.772 -0.472 1
1 1050 . 5 1 1 A 80 80 ASN N N 80 119.339 119.831 -0.492 1
1 1052 . 5 1 1 A 81 81 LEU H H 81 8.256 8.841 -0.585 1
1 1053 . 5 1 1 A 81 81 LEU HA H 81 4.258 5.060 -0.802 1
1 1063 . 5 1 1 A 81 81 LEU C C 81 177.323 177.607 -0.284 1
1 1064 . 5 1 1 A 81 81 LEU CA C 81 55.263 53.277 1.986 1
1 1065 . 5 1 1 A 81 81 LEU CB C 81 41.756 44.621 -2.865 1
1 1069 . 5 1 1 A 81 81 LEU N N 81 121.238 127.388 -6.150 1
1 1070 . 5 1 1 A 82 82 GLU H H 82 8.282 8.827 -0.545 1
1 1071 . 5 1 1 A 82 82 GLU HA H 82 4.169 4.382 -0.213 1
1 1076 . 5 1 1 A 82 82 GLU C C 82 176.385 176.585 -0.200 1
1 1077 . 5 1 1 A 82 82 GLU CA C 82 56.762 55.876 0.886 1
1 1078 . 5 1 1 A 82 82 GLU CB C 82 29.997 29.435 0.562 1
1 1080 . 5 1 1 A 82 82 GLU N N 82 120.037 119.667 0.370 1
1 1081 . 5 1 1 A 83 83 HIS H H 83 8.195 7.716 0.479 1
1 1082 . 5 1 1 A 83 83 HIS HA H 83 4.535 4.574 -0.039 1
1 1087 . 5 1 1 A 83 83 HIS C C 83 175.081 174.735 0.346 1
1 1088 . 5 1 1 A 83 83 HIS CA C 83 55.951 56.123 -0.172 1
1 1089 . 5 1 1 A 83 83 HIS CB C 83 30.366 29.031 1.335 1
1 1 . 6 1 1 A 2 2 THR HA H 2 3.782 4.448 -0.666 1
1 6 . 6 1 1 A 2 2 THR C C 2 171.502 172.733 -1.231 1
1 7 . 6 1 1 A 2 2 THR CA C 2 61.906 61.855 0.051 1
1 8 . 6 1 1 A 2 2 THR CB C 2 69.449 67.254 2.195 1
1 10 . 6 1 1 A 3 3 ASP H H 3 8.636 8.344 0.292 1
1 11 . 6 1 1 A 3 3 ASP HA H 3 4.803 5.557 -0.754 1
1 14 . 6 1 1 A 3 3 ASP C C 3 175.330 174.479 0.851 1
1 15 . 6 1 1 A 3 3 ASP CA C 3 54.454 53.026 1.428 1
1 16 . 6 1 1 A 3 3 ASP CB C 3 41.426 44.689 -3.263 1
1 17 . 6 1 1 A 3 3 ASP N N 3 125.850 122.565 3.285 1
1 18 . 6 1 1 A 4 4 PHE H H 4 8.608 8.862 -0.254 1
1 19 . 6 1 1 A 4 4 PHE HA H 4 5.042 5.525 -0.483 1
1 27 . 6 1 1 A 4 4 PHE C C 4 172.986 172.388 0.598 1
1 28 . 6 1 1 A 4 4 PHE CA C 4 55.505 55.628 -0.123 1
1 29 . 6 1 1 A 4 4 PHE CB C 4 41.288 41.810 -0.522 1
1 33 . 6 1 1 A 4 4 PHE N N 4 117.566 116.704 0.862 1
1 34 . 6 1 1 A 5 5 LEU H H 5 8.498 8.649 -0.151 1
1 35 . 6 1 1 A 5 5 LEU HA H 5 4.532 3.975 0.557 1
1 45 . 6 1 1 A 5 5 LEU C C 5 175.330 175.108 0.222 1
1 46 . 6 1 1 A 5 5 LEU CA C 5 54.222 53.766 0.456 1
1 47 . 6 1 1 A 5 5 LEU CB C 5 42.932 42.665 0.267 1
1 51 . 6 1 1 A 5 5 LEU N N 5 123.329 121.912 1.417 1
1 52 . 6 1 1 A 6 6 ALA H H 6 9.325 8.675 0.650 1
1 53 . 6 1 1 A 6 6 ALA HA H 6 4.769 5.167 -0.398 1
1 57 . 6 1 1 A 6 6 ALA C C 6 174.744 177.037 -2.293 1
1 58 . 6 1 1 A 6 6 ALA CA C 6 50.500 51.035 -0.535 1
1 59 . 6 1 1 A 6 6 ALA CB C 6 23.746 21.192 2.554 1
1 60 . 6 1 1 A 6 6 ALA N N 6 129.530 130.495 -0.965 1
1 61 . 6 1 1 A 7 7 GLY H H 7 8.639 8.604 0.035 1
1 62 . 6 1 1 A 7 7 GLY HA2 H 7 5.721 4.361 1.360 1
1 63 . 6 1 1 A 7 7 GLY HA3 H 7 3.508 4.365 -0.857 1
1 64 . 6 1 1 A 7 7 GLY C C 7 173.221 171.734 1.487 1
1 65 . 6 1 1 A 7 7 GLY CA C 7 45.351 44.383 0.968 1
1 66 . 6 1 1 A 7 7 GLY N N 7 106.888 106.048 0.840 1
1 67 . 6 1 1 A 8 8 ILE H H 8 9.356 9.021 0.335 1
1 68 . 6 1 1 A 8 8 ILE HA H 8 4.957 5.010 -0.053 1
1 78 . 6 1 1 A 8 8 ILE C C 8 172.986 174.001 -1.015 1
1 79 . 6 1 1 A 8 8 ILE CA C 8 59.551 60.167 -0.616 1
1 80 . 6 1 1 A 8 8 ILE CB C 8 43.405 41.194 2.211 1
1 84 . 6 1 1 A 8 8 ILE N N 8 122.820 123.818 -0.998 1
1 85 . 6 1 1 A 9 9 ARG H H 9 9.364 9.535 -0.171 1
1 86 . 6 1 1 A 9 9 ARG HA H 9 5.609 5.126 0.483 1
1 94 . 6 1 1 A 9 9 ARG C C 9 175.096 174.738 0.358 1
1 95 . 6 1 1 A 9 9 ARG CA C 9 54.192 54.811 -0.619 1
1 96 . 6 1 1 A 9 9 ARG CB C 9 33.400 32.550 0.850 1
1 99 . 6 1 1 A 9 9 ARG N N 9 126.323 128.613 -2.290 1
1 101 . 6 1 1 A 10 10 ILE H H 10 9.479 9.450 0.029 1
1 102 . 6 1 1 A 10 10 ILE HA H 10 5.089 4.901 0.188 1
1 112 . 6 1 1 A 10 10 ILE C C 10 174.275 174.520 -0.245 1
1 113 . 6 1 1 A 10 10 ILE CA C 10 60.127 59.828 0.299 1
1 114 . 6 1 1 A 10 10 ILE CB C 10 42.651 39.727 2.924 1
1 118 . 6 1 1 A 10 10 ILE N N 10 128.583 127.686 0.897 1
1 119 . 6 1 1 A 11 11 VAL H H 11 8.581 8.790 -0.209 1
1 120 . 6 1 1 A 11 11 VAL HA H 11 4.793 4.893 -0.100 1
1 128 . 6 1 1 A 11 11 VAL C C 11 175.827 174.628 1.199 1
1 129 . 6 1 1 A 11 11 VAL CA C 11 60.201 60.349 -0.148 1
1 130 . 6 1 1 A 11 11 VAL CB C 11 34.522 33.438 1.084 1
1 133 . 6 1 1 A 11 11 VAL N N 11 126.323 128.157 -1.834 1
1 134 . 6 1 1 A 12 12 GLY H H 12 7.713 7.132 0.581 1
1 135 . 6 1 1 A 12 12 GLY HA2 H 12 3.434 2.935 0.499 1
1 136 . 6 1 1 A 12 12 GLY HA3 H 12 3.563 3.722 -0.159 1
1 137 . 6 1 1 A 12 12 GLY C C 12 170.332 172.550 -2.218 1
1 138 . 6 1 1 A 12 12 GLY CA C 12 45.842 43.661 2.181 1
1 139 . 6 1 1 A 12 12 GLY N N 12 113.216 113.391 -0.175 1
1 140 . 6 1 1 A 13 13 GLU H H 13 8.180 8.488 -0.308 1
1 141 . 6 1 1 A 13 13 GLU HA H 13 4.387 4.407 -0.020 1
1 146 . 6 1 1 A 13 13 GLU C C 13 175.409 175.726 -0.317 1
1 147 . 6 1 1 A 13 13 GLU CA C 13 55.865 56.739 -0.874 1
1 148 . 6 1 1 A 13 13 GLU CB C 13 31.102 30.060 1.042 1
1 150 . 6 1 1 A 13 13 GLU N N 13 119.035 118.035 1.000 1
1 151 . 6 1 1 A 14 14 ASP H H 14 8.095 9.109 -1.014 1
1 152 . 6 1 1 A 14 14 ASP HA H 14 4.888 5.067 -0.179 1
1 155 . 6 1 1 A 14 14 ASP C C 14 174.991 175.846 -0.855 1
1 156 . 6 1 1 A 14 14 ASP CA C 14 52.473 54.505 -2.032 1
1 157 . 6 1 1 A 14 14 ASP CB C 14 40.364 41.564 -1.200 1
1 158 . 6 1 1 A 14 14 ASP N N 14 122.877 124.490 -1.613 1
1 159 . 6 1 1 A 15 15 LYS H H 15 7.345 8.441 -1.096 1
1 160 . 6 1 1 A 15 15 LYS HA H 15 4.550 4.666 -0.116 1
1 169 . 6 1 1 A 15 15 LYS C C 15 176.385 176.040 0.345 1
1 170 . 6 1 1 A 15 15 LYS CA C 15 54.554 55.859 -1.305 1
1 171 . 6 1 1 A 15 15 LYS CB C 15 35.403 34.730 0.673 1
1 175 . 6 1 1 A 15 15 LYS N N 15 120.221 124.077 -3.856 1
1 176 . 6 1 1 A 16 16 ASN H H 16 9.025 9.184 -0.159 1
1 177 . 6 1 1 A 16 16 ASN HA H 16 4.386 4.495 -0.109 1
1 182 . 6 1 1 A 16 16 ASN C C 16 175.916 175.585 0.331 1
1 183 . 6 1 1 A 16 16 ASN CA C 16 54.966 54.023 0.943 1
1 184 . 6 1 1 A 16 16 ASN CB C 16 37.810 36.398 1.412 1
1 185 . 6 1 1 A 16 16 ASN N N 16 119.785 120.507 -0.722 1
1 187 . 6 1 1 A 17 17 GLY H H 17 8.780 8.282 0.498 1
1 188 . 6 1 1 A 17 17 GLY HA2 H 17 4.125 3.965 0.160 1
1 189 . 6 1 1 A 17 17 GLY HA3 H 17 3.970 3.979 -0.009 1
1 190 . 6 1 1 A 17 17 GLY C C 17 176.151 175.629 0.522 1
1 191 . 6 1 1 A 17 17 GLY CA C 17 45.996 45.445 0.551 1
1 192 . 6 1 1 A 17 17 GLY N N 17 110.504 108.265 2.239 1
1 193 . 6 1 1 A 18 18 MET H H 18 7.989 8.567 -0.578 1
1 194 . 6 1 1 A 18 18 MET HA H 18 4.359 4.148 0.211 1
1 202 . 6 1 1 A 18 18 MET C C 18 178.589 178.171 0.418 1
1 203 . 6 1 1 A 18 18 MET CA C 18 57.405 58.527 -1.122 1
1 204 . 6 1 1 A 18 18 MET CB C 18 31.847 32.409 -0.562 1
1 207 . 6 1 1 A 18 18 MET N N 18 121.860 121.259 0.601 1
1 208 . 6 1 1 A 19 19 THR H H 19 8.807 8.063 0.744 1
1 209 . 6 1 1 A 19 19 THR HA H 19 3.233 3.284 -0.051 1
1 215 . 6 1 1 A 19 19 THR C C 19 177.909 177.004 0.905 1
1 216 . 6 1 1 A 19 19 THR CA C 19 65.516 65.267 0.249 1
1 217 . 6 1 1 A 19 19 THR CB C 19 67.000 68.135 -1.135 1
1 219 . 6 1 1 A 19 19 THR N N 19 111.351 112.282 -0.931 1
1 220 . 6 1 1 A 20 20 ASN H H 20 7.936 7.748 0.188 1
1 221 . 6 1 1 A 20 20 ASN HA H 20 4.083 4.422 -0.339 1
1 226 . 6 1 1 A 20 20 ASN C C 20 176.854 177.624 -0.770 1
1 227 . 6 1 1 A 20 20 ASN CA C 20 57.669 55.700 1.969 1
1 228 . 6 1 1 A 20 20 ASN CB C 20 36.625 38.370 -1.745 1
1 229 . 6 1 1 A 20 20 ASN N N 20 121.577 120.343 1.234 1
1 231 . 6 1 1 A 21 21 GLN H H 21 8.433 8.137 0.296 1
1 232 . 6 1 1 A 21 21 GLN HA H 21 4.046 4.013 0.033 1
1 239 . 6 1 1 A 21 21 GLN C C 21 179.550 178.376 1.174 1
1 240 . 6 1 1 A 21 21 GLN CA C 21 59.187 58.557 0.630 1
1 241 . 6 1 1 A 21 21 GLN CB C 21 28.512 28.383 0.129 1
1 243 . 6 1 1 A 21 21 GLN N N 21 120.250 117.328 2.922 1
1 245 . 6 1 1 A 22 22 ILE H H 22 8.779 8.069 0.710 1
1 246 . 6 1 1 A 22 22 ILE HA H 22 3.823 3.634 0.189 1
1 256 . 6 1 1 A 22 22 ILE C C 22 176.854 177.842 -0.988 1
1 257 . 6 1 1 A 22 22 ILE CA C 22 61.611 65.575 -3.964 1
1 258 . 6 1 1 A 22 22 ILE CB C 22 36.935 38.149 -1.214 1
1 262 . 6 1 1 A 22 22 ILE N N 22 119.497 121.221 -1.724 1
1 263 . 6 1 1 A 23 23 THR H H 23 7.478 8.030 -0.552 1
1 264 . 6 1 1 A 23 23 THR HA H 23 3.523 3.907 -0.384 1
1 270 . 6 1 1 A 23 23 THR C C 23 176.502 176.837 -0.335 1
1 271 . 6 1 1 A 23 23 THR CA C 23 67.006 66.339 0.667 1
1 272 . 6 1 1 A 23 23 THR CB C 23 67.305 68.382 -1.077 1
1 274 . 6 1 1 A 23 23 THR N N 23 115.702 116.084 -0.382 1
1 275 . 6 1 1 A 24 24 GLY H H 24 8.011 8.263 -0.252 1
1 276 . 6 1 1 A 24 24 GLY HA2 H 24 3.880 3.648 0.232 1
1 277 . 6 1 1 A 24 24 GLY HA3 H 24 3.672 3.658 0.014 1
1 278 . 6 1 1 A 24 24 GLY C C 24 176.385 175.973 0.412 1
1 279 . 6 1 1 A 24 24 GLY CA C 24 47.163 47.218 -0.055 1
1 280 . 6 1 1 A 24 24 GLY N N 24 110.691 107.894 2.797 1
1 281 . 6 1 1 A 25 25 VAL H H 25 7.898 8.057 -0.159 1
1 282 . 6 1 1 A 25 25 VAL HA H 25 3.473 3.658 -0.185 1
1 290 . 6 1 1 A 25 25 VAL C C 25 178.286 177.454 0.832 1
1 291 . 6 1 1 A 25 25 VAL CA C 25 66.432 65.837 0.595 1
1 292 . 6 1 1 A 25 25 VAL CB C 25 31.925 31.746 0.179 1
1 295 . 6 1 1 A 25 25 VAL N N 25 123.276 121.502 1.774 1
1 296 . 6 1 1 A 26 26 ILE H H 26 7.646 7.918 -0.272 1
1 297 . 6 1 1 A 26 26 ILE HA H 26 2.698 2.096 0.602 1
1 307 . 6 1 1 A 26 26 ILE C C 26 177.440 177.749 -0.309 1
1 308 . 6 1 1 A 26 26 ILE CA C 26 64.163 64.802 -0.639 1
1 309 . 6 1 1 A 26 26 ILE CB C 26 37.876 37.462 0.414 1
1 313 . 6 1 1 A 26 26 ILE N N 26 116.606 120.308 -3.702 1
1 314 . 6 1 1 A 27 27 SER H H 27 7.783 7.793 -0.010 1
1 315 . 6 1 1 A 27 27 SER HA H 27 3.908 4.086 -0.178 1
1 319 . 6 1 1 A 27 27 SER C C 27 175.330 175.743 -0.413 1
1 320 . 6 1 1 A 27 27 SER CA C 27 61.465 61.130 0.335 1
1 321 . 6 1 1 A 27 27 SER CB C 27 63.388 62.738 0.650 1
1 322 . 6 1 1 A 27 27 SER N N 27 112.932 115.351 -2.419 1
1 323 . 6 1 1 A 28 28 LYS H H 28 7.008 7.570 -0.562 1
1 324 . 6 1 1 A 28 28 LYS HA H 28 4.234 4.264 -0.030 1
1 333 . 6 1 1 A 28 28 LYS C C 28 177.323 177.003 0.320 1
1 334 . 6 1 1 A 28 28 LYS CA C 28 56.161 56.536 -0.375 1
1 335 . 6 1 1 A 28 28 LYS CB C 28 32.742 32.653 0.089 1
1 339 . 6 1 1 A 28 28 LYS N N 28 118.978 119.194 -0.216 1
1 340 . 6 1 1 A 29 29 PHE H H 29 7.691 7.189 0.502 1
1 341 . 6 1 1 A 29 29 PHE HA H 29 4.576 4.457 0.119 1
1 349 . 6 1 1 A 29 29 PHE C C 29 175.841 175.735 0.106 1
1 350 . 6 1 1 A 29 29 PHE CA C 29 56.366 58.392 -2.026 1
1 351 . 6 1 1 A 29 29 PHE CB C 29 38.723 39.981 -1.258 1
1 355 . 6 1 1 A 29 29 PHE N N 29 120.755 119.670 1.085 1
1 356 . 6 1 1 A 30 30 ASP H H 30 8.388 8.862 -0.474 1
1 357 . 6 1 1 A 30 30 ASP HA H 30 4.650 4.800 -0.150 1
1 360 . 6 1 1 A 30 30 ASP C C 30 175.096 175.534 -0.438 1
1 361 . 6 1 1 A 30 30 ASP CA C 30 53.331 54.743 -1.412 1
1 362 . 6 1 1 A 30 30 ASP CB C 30 38.691 41.319 -2.628 1
1 363 . 6 1 1 A 30 30 ASP N N 30 122.230 120.582 1.648 1
1 364 . 6 1 1 A 31 31 THR H H 31 7.663 7.596 0.067 1
1 365 . 6 1 1 A 31 31 THR HA H 31 4.558 4.935 -0.377 1
1 370 . 6 1 1 A 31 31 THR C C 31 173.297 172.415 0.882 1
1 371 . 6 1 1 A 31 31 THR CA C 31 59.333 59.710 -0.377 1
1 372 . 6 1 1 A 31 31 THR CB C 31 70.319 71.889 -1.570 1
1 374 . 6 1 1 A 31 31 THR N N 31 112.538 114.150 -1.612 1
1 375 . 6 1 1 A 32 32 ASN H H 32 8.308 8.816 -0.508 1
1 376 . 6 1 1 A 32 32 ASN HA H 32 4.910 5.282 -0.372 1
1 381 . 6 1 1 A 32 32 ASN C C 32 175.447 175.056 0.391 1
1 382 . 6 1 1 A 32 32 ASN CA C 32 52.732 52.420 0.312 1
1 383 . 6 1 1 A 32 32 ASN CB C 32 39.337 40.803 -1.466 1
1 384 . 6 1 1 A 32 32 ASN N N 32 121.973 120.865 1.108 1
1 386 . 6 1 1 A 33 33 ILE H H 33 8.320 9.030 -0.710 1
1 387 . 6 1 1 A 33 33 ILE HA H 33 3.846 4.146 -0.300 1
1 397 . 6 1 1 A 33 33 ILE C C 33 175.230 176.029 -0.799 1
1 398 . 6 1 1 A 33 33 ILE CA C 33 63.300 62.214 1.086 1
1 399 . 6 1 1 A 33 33 ILE CB C 33 39.167 37.531 1.636 1
1 403 . 6 1 1 A 33 33 ILE N N 33 125.984 124.256 1.728 1
1 404 . 6 1 1 A 34 34 ARG H H 34 8.858 8.940 -0.082 1
1 405 . 6 1 1 A 34 34 ARG HA H 34 4.538 4.577 -0.039 1
1 413 . 6 1 1 A 34 34 ARG C C 34 175.565 176.457 -0.892 1
1 414 . 6 1 1 A 34 34 ARG CA C 34 54.900 57.011 -2.111 1
1 415 . 6 1 1 A 34 34 ARG CB C 34 30.275 31.736 -1.461 1
1 418 . 6 1 1 A 34 34 ARG N N 34 126.537 127.794 -1.257 1
1 420 . 6 1 1 A 35 35 THR H H 35 7.698 7.329 0.369 1
1 421 . 6 1 1 A 35 35 THR HA H 35 5.311 4.995 0.316 1
1 426 . 6 1 1 A 35 35 THR C C 35 173.807 172.169 1.638 1
1 427 . 6 1 1 A 35 35 THR CA C 35 61.040 61.074 -0.034 1
1 428 . 6 1 1 A 35 35 THR CB C 35 74.055 72.484 1.571 1
1 430 . 6 1 1 A 35 35 THR N N 35 111.895 112.879 -0.984 1
1 431 . 6 1 1 A 36 36 ILE H H 36 8.907 9.055 -0.148 1
1 432 . 6 1 1 A 36 36 ILE HA H 36 4.753 5.110 -0.357 1
1 442 . 6 1 1 A 36 36 ILE C C 36 174.275 173.384 0.891 1
1 443 . 6 1 1 A 36 36 ILE CA C 36 61.400 59.904 1.496 1
1 444 . 6 1 1 A 36 36 ILE CB C 36 42.569 41.488 1.081 1
1 448 . 6 1 1 A 36 36 ILE N N 36 123.257 127.658 -4.401 1
1 449 . 6 1 1 A 37 37 VAL H H 37 8.933 8.860 0.073 1
1 450 . 6 1 1 A 37 37 VAL HA H 37 4.903 4.675 0.228 1
1 458 . 6 1 1 A 37 37 VAL C C 37 174.684 173.875 0.809 1
1 459 . 6 1 1 A 37 37 VAL CA C 37 62.100 61.550 0.550 1
1 460 . 6 1 1 A 37 37 VAL CB C 37 34.186 33.700 0.486 1
1 463 . 6 1 1 A 37 37 VAL N N 37 126.323 128.785 -2.462 1
1 464 . 6 1 1 A 38 38 LEU H H 38 9.751 9.107 0.644 1
1 465 . 6 1 1 A 38 38 LEU HA H 38 5.636 5.270 0.366 1
1 475 . 6 1 1 A 38 38 LEU C C 38 174.510 174.911 -0.401 1
1 476 . 6 1 1 A 38 38 LEU CA C 38 53.810 53.536 0.274 1
1 477 . 6 1 1 A 38 38 LEU CB C 38 45.655 44.689 0.966 1
1 481 . 6 1 1 A 38 38 LEU N N 38 133.332 130.123 3.209 1
1 482 . 6 1 1 A 39 39 ASN H H 39 8.952 8.807 0.145 1
1 483 . 6 1 1 A 39 39 ASN HA H 39 5.450 5.632 -0.182 1
1 488 . 6 1 1 A 39 39 ASN C C 39 172.869 173.472 -0.603 1
1 489 . 6 1 1 A 39 39 ASN CA C 39 53.137 51.442 1.695 1
1 490 . 6 1 1 A 39 39 ASN CB C 39 43.287 41.120 2.167 1
1 491 . 6 1 1 A 39 39 ASN N N 39 123.262 123.759 -0.497 1
1 493 . 6 1 1 A 40 40 ALA H H 40 8.467 9.119 -0.652 1
1 494 . 6 1 1 A 40 40 ALA HA H 40 5.345 5.670 -0.325 1
1 498 . 6 1 1 A 40 40 ALA C C 40 175.447 176.909 -1.462 1
1 499 . 6 1 1 A 40 40 ALA CA C 40 51.370 50.754 0.616 1
1 500 . 6 1 1 A 40 40 ALA CB C 40 20.975 20.729 0.246 1
1 501 . 6 1 1 A 40 40 ALA N N 40 127.058 127.547 -0.489 1
1 502 . 6 1 1 A 41 41 LYS H H 41 8.865 8.929 -0.064 1
1 503 . 6 1 1 A 41 41 LYS HA H 41 4.435 4.921 -0.486 1
1 512 . 6 1 1 A 41 41 LYS C C 41 175.565 174.844 0.721 1
1 513 . 6 1 1 A 41 41 LYS CA C 41 56.736 54.817 1.919 1
1 514 . 6 1 1 A 41 41 LYS CB C 41 34.811 35.978 -1.167 1
1 518 . 6 1 1 A 41 41 LYS N N 41 121.996 120.318 1.678 1
1 519 . 6 1 1 A 42 42 ASP H H 42 9.197 9.368 -0.171 1
1 520 . 6 1 1 A 42 42 ASP HA H 42 4.373 4.379 -0.006 1
1 523 . 6 1 1 A 42 42 ASP C C 42 175.447 176.201 -0.754 1
1 524 . 6 1 1 A 42 42 ASP CA C 42 55.547 55.369 0.178 1
1 525 . 6 1 1 A 42 42 ASP CB C 42 39.485 39.389 0.096 1
1 526 . 6 1 1 A 42 42 ASP N N 42 122.213 121.929 0.284 1
1 527 . 6 1 1 A 43 43 GLY H H 43 9.306 8.535 0.771 1
1 528 . 6 1 1 A 43 43 GLY HA2 H 43 4.443 3.870 0.573 1
1 529 . 6 1 1 A 43 43 GLY HA3 H 43 3.816 3.878 -0.062 1
1 530 . 6 1 1 A 43 43 GLY C C 43 174.979 173.824 1.155 1
1 531 . 6 1 1 A 43 43 GLY CA C 43 45.661 45.510 0.151 1
1 532 . 6 1 1 A 43 43 GLY N N 43 104.610 104.556 0.054 1
1 533 . 6 1 1 A 44 44 ILE H H 44 8.117 8.016 0.101 1
1 534 . 6 1 1 A 44 44 ILE HA H 44 5.112 4.827 0.285 1
1 544 . 6 1 1 A 44 44 ILE C C 44 175.213 175.163 0.050 1
1 545 . 6 1 1 A 44 44 ILE CA C 44 59.040 59.265 -0.225 1
1 546 . 6 1 1 A 44 44 ILE CB C 44 42.013 41.115 0.898 1
1 550 . 6 1 1 A 44 44 ILE N N 44 122.284 122.123 0.161 1
1 551 . 6 1 1 A 45 45 PHE H H 45 8.955 8.572 0.383 1
1 552 . 6 1 1 A 45 45 PHE HA H 45 5.740 5.939 -0.199 1
1 560 . 6 1 1 A 45 45 PHE C C 45 172.283 172.939 -0.656 1
1 561 . 6 1 1 A 45 45 PHE CA C 45 55.872 54.949 0.923 1
1 562 . 6 1 1 A 45 45 PHE CB C 45 42.740 42.603 0.137 1
1 566 . 6 1 1 A 45 45 PHE N N 45 121.747 120.435 1.312 1
1 567 . 6 1 1 A 46 46 THR H H 46 8.659 8.911 -0.252 1
1 568 . 6 1 1 A 46 46 THR HA H 46 5.111 5.137 -0.026 1
1 574 . 6 1 1 A 46 46 THR C C 46 174.041 172.359 1.682 1
1 575 . 6 1 1 A 46 46 THR CA C 46 59.750 60.185 -0.435 1
1 576 . 6 1 1 A 46 46 THR CB C 46 71.380 70.422 0.958 1
1 578 . 6 1 1 A 46 46 THR N N 46 113.420 116.629 -3.209 1
1 579 . 6 1 1 A 47 47 CYS H H 47 9.619 9.605 0.014 1
1 580 . 6 1 1 A 47 47 CYS HA H 47 5.562 5.444 0.118 1
1 584 . 6 1 1 A 47 47 CYS C C 47 172.283 173.103 -0.820 1
1 585 . 6 1 1 A 47 47 CYS CA C 47 56.776 57.347 -0.571 1
1 586 . 6 1 1 A 47 47 CYS CB C 47 29.112 29.611 -0.499 1
1 587 . 6 1 1 A 47 47 CYS N N 47 124.781 129.640 -4.859 1
1 588 . 6 1 1 A 48 48 ASN H H 48 9.293 9.503 -0.210 1
1 589 . 6 1 1 A 48 48 ASN HA H 48 5.629 5.176 0.453 1
1 594 . 6 1 1 A 48 48 ASN C C 48 173.455 173.690 -0.235 1
1 595 . 6 1 1 A 48 48 ASN CA C 48 51.962 52.486 -0.524 1
1 596 . 6 1 1 A 48 48 ASN CB C 48 40.059 39.367 0.692 1
1 597 . 6 1 1 A 48 48 ASN N N 48 129.520 125.837 3.683 1
1 599 . 6 1 1 A 49 49 LEU H H 49 9.435 9.238 0.197 1
1 600 . 6 1 1 A 49 49 LEU HA H 49 5.158 4.990 0.168 1
1 610 . 6 1 1 A 49 49 LEU C C 49 174.510 174.672 -0.162 1
1 611 . 6 1 1 A 49 49 LEU CA C 49 53.178 53.738 -0.560 1
1 612 . 6 1 1 A 49 49 LEU CB C 49 46.402 44.206 2.196 1
1 616 . 6 1 1 A 49 49 LEU N N 49 125.541 127.050 -1.509 1
1 617 . 6 1 1 A 50 50 MET H H 50 8.978 8.910 0.068 1
1 618 . 6 1 1 A 50 50 MET HA H 50 5.723 5.462 0.261 1
1 626 . 6 1 1 A 50 50 MET C C 50 175.682 174.853 0.829 1
1 627 . 6 1 1 A 50 50 MET CA C 50 54.073 53.945 0.128 1
1 628 . 6 1 1 A 50 50 MET CB C 50 33.643 34.607 -0.964 1
1 631 . 6 1 1 A 50 50 MET N N 50 123.131 125.274 -2.143 1
1 632 . 6 1 1 A 51 51 ILE H H 51 9.056 8.799 0.257 1
1 633 . 6 1 1 A 51 51 ILE HA H 51 5.044 5.135 -0.091 1
1 643 . 6 1 1 A 51 51 ILE C C 51 173.689 174.008 -0.319 1
1 644 . 6 1 1 A 51 51 ILE CA C 51 58.495 59.133 -0.638 1
1 645 . 6 1 1 A 51 51 ILE CB C 51 41.447 42.175 -0.728 1
1 649 . 6 1 1 A 51 51 ILE N N 51 118.753 118.063 0.690 1
1 650 . 6 1 1 A 52 52 PHE H H 52 8.324 9.018 -0.694 1
1 651 . 6 1 1 A 52 52 PHE HA H 52 5.345 5.173 0.172 1
1 659 . 6 1 1 A 52 52 PHE C C 52 176.084 175.725 0.359 1
1 660 . 6 1 1 A 52 52 PHE CA C 52 56.478 57.239 -0.761 1
1 661 . 6 1 1 A 52 52 PHE CB C 52 40.520 40.583 -0.063 1
1 665 . 6 1 1 A 52 52 PHE N N 52 120.910 122.111 -1.201 1
1 666 . 6 1 1 A 53 53 VAL H H 53 8.865 8.270 0.595 1
1 667 . 6 1 1 A 53 53 VAL HA H 53 4.663 4.688 -0.025 1
1 675 . 6 1 1 A 53 53 VAL C C 53 174.812 175.487 -0.675 1
1 676 . 6 1 1 A 53 53 VAL CA C 53 58.881 58.929 -0.048 1
1 677 . 6 1 1 A 53 53 VAL CB C 53 35.707 34.867 0.840 1
1 680 . 6 1 1 A 53 53 VAL N N 53 118.244 116.189 2.055 1
1 681 . 6 1 1 A 54 54 LYS H H 54 8.335 8.745 -0.410 1
1 682 . 6 1 1 A 54 54 LYS HA H 54 4.324 4.474 -0.150 1
1 691 . 6 1 1 A 54 54 LYS C C 54 176.655 176.525 0.130 1
1 692 . 6 1 1 A 54 54 LYS CA C 54 58.039 57.235 0.804 1
1 693 . 6 1 1 A 54 54 LYS CB C 54 33.974 33.233 0.741 1
1 697 . 6 1 1 A 54 54 LYS N N 54 120.334 121.536 -1.202 1
1 698 . 6 1 1 A 55 55 ASN H H 55 7.235 7.622 -0.387 1
1 699 . 6 1 1 A 55 55 ASN HA H 55 4.888 5.243 -0.355 1
1 704 . 6 1 1 A 55 55 ASN C C 55 175.083 175.552 -0.469 1
1 705 . 6 1 1 A 55 55 ASN CA C 55 52.173 51.281 0.892 1
1 706 . 6 1 1 A 55 55 ASN CB C 55 39.333 41.407 -2.074 1
1 707 . 6 1 1 A 55 55 ASN N N 55 108.018 113.980 -5.962 1
1 709 . 6 1 1 A 56 56 THR H H 56 8.865 8.918 -0.053 1
1 710 . 6 1 1 A 56 56 THR HA H 56 4.036 4.205 -0.169 1
1 715 . 6 1 1 A 56 56 THR C C 56 178.637 176.368 2.269 1
1 716 . 6 1 1 A 56 56 THR CA C 56 65.800 65.111 0.689 1
1 717 . 6 1 1 A 56 56 THR CB C 56 68.341 68.431 -0.090 1
1 719 . 6 1 1 A 56 56 THR N N 56 113.338 115.154 -1.816 1
1 720 . 6 1 1 A 57 57 ASP H H 57 8.384 8.299 0.085 1
1 721 . 6 1 1 A 57 57 ASP HA H 57 4.467 4.278 0.189 1
1 724 . 6 1 1 A 57 57 ASP CA C 57 57.400 57.862 -0.462 1
1 725 . 6 1 1 A 57 57 ASP CB C 57 39.938 41.986 -2.048 1
1 726 . 6 1 1 A 57 57 ASP N N 57 124.402 121.567 2.835 1
1 727 . 6 1 1 A 58 58 LYS H H 58 8.266 8.176 0.090 1
1 728 . 6 1 1 A 58 58 LYS HA H 58 4.172 3.960 0.212 1
1 740 . 6 1 1 A 58 58 LYS C C 58 178.378 178.496 -0.118 1
1 741 . 6 1 1 A 58 58 LYS CA C 58 57.695 59.156 -1.461 1
1 742 . 6 1 1 A 58 58 LYS CB C 58 31.763 31.764 -0.001 1
1 746 . 6 1 1 A 58 58 LYS N N 58 120.194 118.910 1.284 1
1 747 . 6 1 1 A 59 59 LEU H H 59 7.302 7.105 0.197 1
1 748 . 6 1 1 A 59 59 LEU HA H 59 3.907 3.937 -0.030 1
1 758 . 6 1 1 A 59 59 LEU C C 59 177.909 178.306 -0.397 1
1 759 . 6 1 1 A 59 59 LEU CA C 59 57.979 58.042 -0.063 1
1 760 . 6 1 1 A 59 59 LEU CB C 59 41.727 41.598 0.129 1
1 764 . 6 1 1 A 59 59 LEU N N 59 118.583 120.398 -1.815 1
1 765 . 6 1 1 A 60 60 THR H H 60 8.500 7.861 0.639 1
1 766 . 6 1 1 A 60 60 THR HA H 60 3.845 4.057 -0.212 1
1 771 . 6 1 1 A 60 60 THR C C 60 176.502 177.408 -0.906 1
1 772 . 6 1 1 A 60 60 THR CA C 60 66.691 65.606 1.085 1
1 773 . 6 1 1 A 60 60 THR CB C 60 68.390 68.242 0.148 1
1 775 . 6 1 1 A 60 60 THR N N 60 115.462 111.094 4.368 1
1 776 . 6 1 1 A 61 61 THR H H 61 7.996 8.092 -0.096 1
1 777 . 6 1 1 A 61 61 THR HA H 61 4.053 3.899 0.154 1
1 782 . 6 1 1 A 61 61 THR C C 61 176.502 176.421 0.081 1
1 783 . 6 1 1 A 61 61 THR CA C 61 66.420 67.013 -0.593 1
1 784 . 6 1 1 A 61 61 THR CB C 61 68.549 67.993 0.556 1
1 786 . 6 1 1 A 61 61 THR N N 61 117.698 116.639 1.059 1
1 787 . 6 1 1 A 62 62 LEU H H 62 7.717 7.954 -0.237 1
1 788 . 6 1 1 A 62 62 LEU HA H 62 3.542 3.591 -0.049 1
1 798 . 6 1 1 A 62 62 LEU C C 62 178.612 179.141 -0.529 1
1 799 . 6 1 1 A 62 62 LEU CA C 62 57.988 57.594 0.394 1
1 800 . 6 1 1 A 62 62 LEU CB C 62 40.241 40.996 -0.755 1
1 804 . 6 1 1 A 62 62 LEU N N 62 122.534 120.923 1.611 1
1 805 . 6 1 1 A 63 63 MET H H 63 8.230 7.828 0.402 1
1 806 . 6 1 1 A 63 63 MET HA H 63 3.771 4.058 -0.287 1
1 814 . 6 1 1 A 63 63 MET C C 63 177.674 178.154 -0.480 1
1 815 . 6 1 1 A 63 63 MET CA C 63 60.699 58.907 1.792 1
1 816 . 6 1 1 A 63 63 MET CB C 63 33.024 32.442 0.582 1
1 819 . 6 1 1 A 63 63 MET N N 63 116.719 117.809 -1.090 1
1 820 . 6 1 1 A 64 64 ASP H H 64 8.263 7.914 0.349 1
1 821 . 6 1 1 A 64 64 ASP HA H 64 4.401 4.308 0.093 1
1 824 . 6 1 1 A 64 64 ASP C C 64 178.378 178.543 -0.165 1
1 825 . 6 1 1 A 64 64 ASP CA C 64 57.400 57.090 0.310 1
1 826 . 6 1 1 A 64 64 ASP CB C 64 40.703 41.737 -1.034 1
1 827 . 6 1 1 A 64 64 ASP N N 64 118.611 120.532 -1.921 1
1 828 . 6 1 1 A 65 65 LYS H H 65 7.755 7.412 0.343 1
1 829 . 6 1 1 A 65 65 LYS HA H 65 3.970 4.129 -0.159 1
1 838 . 6 1 1 A 65 65 LYS C C 65 179.922 179.392 0.530 1
1 839 . 6 1 1 A 65 65 LYS CA C 65 59.466 59.430 0.036 1
1 840 . 6 1 1 A 65 65 LYS CB C 65 32.372 32.660 -0.288 1
1 844 . 6 1 1 A 65 65 LYS N N 65 118.452 118.527 -0.075 1
1 845 . 6 1 1 A 66 66 LEU H H 66 7.768 8.459 -0.691 1
1 846 . 6 1 1 A 66 66 LEU HA H 66 4.066 4.106 -0.040 1
1 856 . 6 1 1 A 66 66 LEU C C 66 177.557 179.085 -1.528 1
1 857 . 6 1 1 A 66 66 LEU CA C 66 57.550 57.644 -0.094 1
1 858 . 6 1 1 A 66 66 LEU CB C 66 43.218 41.244 1.974 1
1 862 . 6 1 1 A 66 66 LEU N N 66 118.471 119.976 -1.505 1
1 863 . 6 1 1 A 67 67 ARG H H 67 8.017 8.532 -0.515 1
1 864 . 6 1 1 A 67 67 ARG HA H 67 3.855 4.253 -0.398 1
1 872 . 6 1 1 A 67 67 ARG C C 67 177.440 177.650 -0.210 1
1 873 . 6 1 1 A 67 67 ARG CA C 67 58.584 58.254 0.330 1
1 874 . 6 1 1 A 67 67 ARG CB C 67 30.313 30.040 0.273 1
1 877 . 6 1 1 A 67 67 ARG N N 67 115.702 118.954 -3.252 1
1 879 . 6 1 1 A 68 68 LYS H H 68 7.168 7.504 -0.336 1
1 880 . 6 1 1 A 68 68 LYS HA H 68 4.198 4.340 -0.142 1
1 889 . 6 1 1 A 68 68 LYS C C 68 176.502 176.958 -0.456 1
1 890 . 6 1 1 A 68 68 LYS CA C 68 56.149 57.462 -1.313 1
1 891 . 6 1 1 A 68 68 LYS CB C 68 32.725 32.629 0.096 1
1 895 . 6 1 1 A 68 68 LYS N N 68 115.213 117.296 -2.083 1
1 896 . 6 1 1 A 69 69 VAL H H 69 7.348 7.399 -0.051 1
1 897 . 6 1 1 A 69 69 VAL HA H 69 3.776 4.195 -0.419 1
1 905 . 6 1 1 A 69 69 VAL C C 69 175.916 177.390 -1.474 1
1 906 . 6 1 1 A 69 69 VAL CA C 69 63.134 63.107 0.027 1
1 907 . 6 1 1 A 69 69 VAL CB C 69 31.075 32.112 -1.037 1
1 910 . 6 1 1 A 69 69 VAL N N 69 123.611 120.316 3.295 1
1 911 . 6 1 1 A 70 70 GLN H H 70 8.632 8.714 -0.082 1
1 912 . 6 1 1 A 70 70 GLN HA H 70 4.072 4.114 -0.042 1
1 919 . 6 1 1 A 70 70 GLN C C 70 176.151 178.145 -1.994 1
1 920 . 6 1 1 A 70 70 GLN CA C 70 57.800 58.215 -0.415 1
1 921 . 6 1 1 A 70 70 GLN CB C 70 28.100 28.192 -0.092 1
1 923 . 6 1 1 A 70 70 GLN N N 70 130.070 126.341 3.729 1
1 925 . 6 1 1 A 71 71 GLY H H 71 8.783 8.144 0.639 1
1 926 . 6 1 1 A 71 71 GLY HA2 H 71 4.598 4.024 0.574 1
1 927 . 6 1 1 A 71 71 GLY HA3 H 71 3.677 4.028 -0.351 1
1 928 . 6 1 1 A 71 71 GLY C C 71 173.924 174.318 -0.394 1
1 929 . 6 1 1 A 71 71 GLY CA C 71 44.941 45.947 -1.006 1
1 930 . 6 1 1 A 71 71 GLY N N 71 113.801 107.967 5.834 1
1 931 . 6 1 1 A 72 72 VAL H H 72 7.805 7.386 0.419 1
1 932 . 6 1 1 A 72 72 VAL HA H 72 3.723 3.919 -0.196 1
1 940 . 6 1 1 A 72 72 VAL C C 72 176.502 176.292 0.210 1
1 941 . 6 1 1 A 72 72 VAL CA C 72 64.020 62.181 1.839 1
1 942 . 6 1 1 A 72 72 VAL CB C 72 32.003 32.893 -0.890 1
1 945 . 6 1 1 A 72 72 VAL N N 72 120.334 120.329 0.005 1
1 946 . 6 1 1 A 73 73 PHE H H 73 9.522 7.746 1.776 1
1 947 . 6 1 1 A 73 73 PHE HA H 73 5.109 4.967 0.142 1
1 955 . 6 1 1 A 73 73 PHE C C 73 176.502 174.456 2.046 1
1 956 . 6 1 1 A 73 73 PHE CA C 73 56.354 56.647 -0.293 1
1 957 . 6 1 1 A 73 73 PHE CB C 73 39.615 40.880 -1.265 1
1 961 . 6 1 1 A 73 73 PHE N N 73 127.542 120.925 6.617 1
1 962 . 6 1 1 A 74 74 THR H H 74 7.972 7.430 0.542 1
1 963 . 6 1 1 A 74 74 THR HA H 74 4.736 4.861 -0.125 1
1 968 . 6 1 1 A 74 74 THR C C 74 172.400 173.504 -1.104 1
1 969 . 6 1 1 A 74 74 THR CA C 74 60.604 60.622 -0.018 1
1 970 . 6 1 1 A 74 74 THR CB C 74 72.576 71.368 1.208 1
1 972 . 6 1 1 A 74 74 THR N N 74 111.809 109.624 2.185 1
1 973 . 6 1 1 A 75 75 VAL H H 75 8.584 8.909 -0.325 1
1 974 . 6 1 1 A 75 75 VAL HA H 75 4.878 4.942 -0.064 1
1 982 . 6 1 1 A 75 75 VAL C C 75 174.510 174.882 -0.372 1
1 983 . 6 1 1 A 75 75 VAL CA C 75 61.844 61.566 0.278 1
1 984 . 6 1 1 A 75 75 VAL CB C 75 34.500 34.175 0.325 1
1 987 . 6 1 1 A 75 75 VAL N N 75 122.820 125.142 -2.322 1
1 988 . 6 1 1 A 76 76 GLU H H 76 9.029 8.780 0.249 1
1 989 . 6 1 1 A 76 76 GLU HA H 76 4.861 4.956 -0.095 1
1 994 . 6 1 1 A 76 76 GLU C C 76 174.510 174.393 0.117 1
1 995 . 6 1 1 A 76 76 GLU CA C 76 53.757 54.375 -0.618 1
1 996 . 6 1 1 A 76 76 GLU CB C 76 34.230 33.827 0.403 1
1 998 . 6 1 1 A 76 76 GLU N N 76 124.572 125.713 -1.141 1
1 999 . 6 1 1 A 77 77 ARG H H 77 8.962 8.513 0.449 1
1 1000 . 6 1 1 A 77 77 ARG HA H 77 4.736 4.675 0.061 1
1 1008 . 6 1 1 A 77 77 ARG C C 77 176.502 175.230 1.272 1
1 1009 . 6 1 1 A 77 77 ARG CA C 77 55.521 56.181 -0.660 1
1 1010 . 6 1 1 A 77 77 ARG CB C 77 30.893 31.482 -0.589 1
1 1013 . 6 1 1 A 77 77 ARG N N 77 122.875 123.105 -0.230 1
1 1015 . 6 1 1 A 78 78 LEU H H 78 8.252 9.135 -0.883 1
1 1016 . 6 1 1 A 78 78 LEU HA H 78 4.505 4.696 -0.191 1
1 1026 . 6 1 1 A 78 78 LEU C C 78 176.737 177.450 -0.713 1
1 1027 . 6 1 1 A 78 78 LEU CA C 78 53.875 54.073 -0.198 1
1 1028 . 6 1 1 A 78 78 LEU CB C 78 43.228 41.851 1.377 1
1 1032 . 6 1 1 A 78 78 LEU N N 78 127.062 126.706 0.356 1
1 1033 . 6 1 1 A 79 79 SER H H 79 8.635 8.784 -0.149 1
1 1034 . 6 1 1 A 79 79 SER HA H 79 4.492 4.388 0.104 1
1 1037 . 6 1 1 A 79 79 SER C C 79 174.041 174.327 -0.286 1
1 1038 . 6 1 1 A 79 79 SER CA C 79 58.465 60.859 -2.394 1
1 1039 . 6 1 1 A 79 79 SER CB C 79 63.993 63.244 0.749 1
1 1040 . 6 1 1 A 79 79 SER N N 79 118.446 119.687 -1.241 1
1 1041 . 6 1 1 A 80 80 ASN H H 80 8.421 7.878 0.543 1
1 1042 . 6 1 1 A 80 80 ASN HA H 80 4.668 4.611 0.057 1
1 1047 . 6 1 1 A 80 80 ASN C C 80 175.096 174.027 1.069 1
1 1048 . 6 1 1 A 80 80 ASN CA C 80 53.300 53.557 -0.257 1
1 1049 . 6 1 1 A 80 80 ASN CB C 80 38.300 39.201 -0.901 1
1 1050 . 6 1 1 A 80 80 ASN N N 80 119.339 119.877 -0.538 1
1 1052 . 6 1 1 A 81 81 LEU H H 81 8.256 8.812 -0.556 1
1 1053 . 6 1 1 A 81 81 LEU HA H 81 4.258 5.044 -0.786 1
1 1063 . 6 1 1 A 81 81 LEU C C 81 177.323 177.187 0.136 1
1 1064 . 6 1 1 A 81 81 LEU CA C 81 55.263 53.444 1.819 1
1 1065 . 6 1 1 A 81 81 LEU CB C 81 41.756 45.238 -3.482 1
1 1069 . 6 1 1 A 81 81 LEU N N 81 121.238 127.339 -6.101 1
1 1070 . 6 1 1 A 82 82 GLU H H 82 8.282 8.814 -0.532 1
1 1071 . 6 1 1 A 82 82 GLU HA H 82 4.169 4.405 -0.236 1
1 1076 . 6 1 1 A 82 82 GLU C C 82 176.385 175.902 0.483 1
1 1077 . 6 1 1 A 82 82 GLU CA C 82 56.762 55.841 0.921 1
1 1078 . 6 1 1 A 82 82 GLU CB C 82 29.997 29.007 0.990 1
1 1080 . 6 1 1 A 82 82 GLU N N 82 120.037 120.035 0.002 1
1 1081 . 6 1 1 A 83 83 HIS H H 83 8.195 7.633 0.562 1
1 1082 . 6 1 1 A 83 83 HIS HA H 83 4.535 4.624 -0.089 1
1 1087 . 6 1 1 A 83 83 HIS C C 83 175.081 175.006 0.075 1
1 1088 . 6 1 1 A 83 83 HIS CA C 83 55.951 55.932 0.019 1
1 1089 . 6 1 1 A 83 83 HIS CB C 83 30.366 31.556 -1.190 1
1 1 . 7 1 1 A 2 2 THR HA H 2 3.782 4.839 -1.057 1
1 6 . 7 1 1 A 2 2 THR C C 2 171.502 171.846 -0.344 1
1 7 . 7 1 1 A 2 2 THR CA C 2 61.906 60.528 1.378 1
1 8 . 7 1 1 A 2 2 THR CB C 2 69.449 70.364 -0.915 1
1 10 . 7 1 1 A 3 3 ASP H H 3 8.636 8.830 -0.194 1
1 11 . 7 1 1 A 3 3 ASP HA H 3 4.803 5.718 -0.915 1
1 14 . 7 1 1 A 3 3 ASP C C 3 175.330 174.769 0.561 1
1 15 . 7 1 1 A 3 3 ASP CA C 3 54.454 53.078 1.376 1
1 16 . 7 1 1 A 3 3 ASP CB C 3 41.426 44.556 -3.130 1
1 17 . 7 1 1 A 3 3 ASP N N 3 125.850 123.178 2.672 1
1 18 . 7 1 1 A 4 4 PHE H H 4 8.608 8.718 -0.110 1
1 19 . 7 1 1 A 4 4 PHE HA H 4 5.042 5.425 -0.383 1
1 27 . 7 1 1 A 4 4 PHE C C 4 172.986 172.396 0.590 1
1 28 . 7 1 1 A 4 4 PHE CA C 4 55.505 55.773 -0.268 1
1 29 . 7 1 1 A 4 4 PHE CB C 4 41.288 41.742 -0.454 1
1 33 . 7 1 1 A 4 4 PHE N N 4 117.566 116.671 0.895 1
1 34 . 7 1 1 A 5 5 LEU H H 5 8.498 8.547 -0.049 1
1 35 . 7 1 1 A 5 5 LEU HA H 5 4.532 4.016 0.516 1
1 45 . 7 1 1 A 5 5 LEU C C 5 175.330 174.631 0.699 1
1 46 . 7 1 1 A 5 5 LEU CA C 5 54.222 53.813 0.409 1
1 47 . 7 1 1 A 5 5 LEU CB C 5 42.932 42.470 0.462 1
1 51 . 7 1 1 A 5 5 LEU N N 5 123.329 122.378 0.951 1
1 52 . 7 1 1 A 6 6 ALA H H 6 9.325 8.885 0.440 1
1 53 . 7 1 1 A 6 6 ALA HA H 6 4.769 5.243 -0.474 1
1 57 . 7 1 1 A 6 6 ALA C C 6 174.744 176.847 -2.103 1
1 58 . 7 1 1 A 6 6 ALA CA C 6 50.500 50.652 -0.152 1
1 59 . 7 1 1 A 6 6 ALA CB C 6 23.746 20.858 2.888 1
1 60 . 7 1 1 A 6 6 ALA N N 6 129.530 130.264 -0.734 1
1 61 . 7 1 1 A 7 7 GLY H H 7 8.639 8.823 -0.184 1
1 62 . 7 1 1 A 7 7 GLY HA2 H 7 5.721 4.238 1.483 1
1 63 . 7 1 1 A 7 7 GLY HA3 H 7 3.508 4.249 -0.741 1
1 64 . 7 1 1 A 7 7 GLY C C 7 173.221 171.698 1.523 1
1 65 . 7 1 1 A 7 7 GLY CA C 7 45.351 44.295 1.056 1
1 66 . 7 1 1 A 7 7 GLY N N 7 106.888 109.033 -2.145 1
1 67 . 7 1 1 A 8 8 ILE H H 8 9.356 9.169 0.187 1
1 68 . 7 1 1 A 8 8 ILE HA H 8 4.957 4.914 0.043 1
1 78 . 7 1 1 A 8 8 ILE C C 8 172.986 174.629 -1.643 1
1 79 . 7 1 1 A 8 8 ILE CA C 8 59.551 59.539 0.012 1
1 80 . 7 1 1 A 8 8 ILE CB C 8 43.405 41.361 2.044 1
1 84 . 7 1 1 A 8 8 ILE N N 8 122.820 124.597 -1.777 1
1 85 . 7 1 1 A 9 9 ARG H H 9 9.364 9.240 0.124 1
1 86 . 7 1 1 A 9 9 ARG HA H 9 5.609 5.366 0.243 1
1 94 . 7 1 1 A 9 9 ARG C C 9 175.096 174.358 0.738 1
1 95 . 7 1 1 A 9 9 ARG CA C 9 54.192 54.448 -0.256 1
1 96 . 7 1 1 A 9 9 ARG CB C 9 33.400 33.362 0.038 1
1 99 . 7 1 1 A 9 9 ARG N N 9 126.323 126.138 0.185 1
1 101 . 7 1 1 A 10 10 ILE H H 10 9.479 9.168 0.311 1
1 102 . 7 1 1 A 10 10 ILE HA H 10 5.089 4.807 0.282 1
1 112 . 7 1 1 A 10 10 ILE C C 10 174.275 174.461 -0.186 1
1 113 . 7 1 1 A 10 10 ILE CA C 10 60.127 59.849 0.278 1
1 114 . 7 1 1 A 10 10 ILE CB C 10 42.651 39.441 3.210 1
1 118 . 7 1 1 A 10 10 ILE N N 10 128.583 127.582 1.001 1
1 119 . 7 1 1 A 11 11 VAL H H 11 8.581 9.002 -0.421 1
1 120 . 7 1 1 A 11 11 VAL HA H 11 4.793 5.036 -0.243 1
1 128 . 7 1 1 A 11 11 VAL C C 11 175.827 174.854 0.973 1
1 129 . 7 1 1 A 11 11 VAL CA C 11 60.201 60.392 -0.191 1
1 130 . 7 1 1 A 11 11 VAL CB C 11 34.522 33.310 1.212 1
1 133 . 7 1 1 A 11 11 VAL N N 11 126.323 128.300 -1.977 1
1 134 . 7 1 1 A 12 12 GLY H H 12 7.713 7.290 0.423 1
1 135 . 7 1 1 A 12 12 GLY HA2 H 12 3.434 2.813 0.621 1
1 136 . 7 1 1 A 12 12 GLY HA3 H 12 3.563 3.683 -0.120 1
1 137 . 7 1 1 A 12 12 GLY C C 12 170.332 172.715 -2.383 1
1 138 . 7 1 1 A 12 12 GLY CA C 12 45.842 43.723 2.119 1
1 139 . 7 1 1 A 12 12 GLY N N 12 113.216 113.153 0.063 1
1 140 . 7 1 1 A 13 13 GLU H H 13 8.180 8.408 -0.228 1
1 141 . 7 1 1 A 13 13 GLU HA H 13 4.387 4.409 -0.022 1
1 146 . 7 1 1 A 13 13 GLU C C 13 175.409 177.264 -1.855 1
1 147 . 7 1 1 A 13 13 GLU CA C 13 55.865 56.866 -1.001 1
1 148 . 7 1 1 A 13 13 GLU CB C 13 31.102 30.110 0.992 1
1 150 . 7 1 1 A 13 13 GLU N N 13 119.035 118.251 0.784 1
1 151 . 7 1 1 A 14 14 ASP H H 14 8.095 8.620 -0.525 1
1 152 . 7 1 1 A 14 14 ASP HA H 14 4.888 4.908 -0.020 1
1 155 . 7 1 1 A 14 14 ASP C C 14 174.991 176.444 -1.453 1
1 156 . 7 1 1 A 14 14 ASP CA C 14 52.473 53.910 -1.437 1
1 157 . 7 1 1 A 14 14 ASP CB C 14 40.364 40.197 0.167 1
1 158 . 7 1 1 A 14 14 ASP N N 14 122.877 121.045 1.832 1
1 159 . 7 1 1 A 15 15 LYS H H 15 7.345 7.470 -0.125 1
1 160 . 7 1 1 A 15 15 LYS HA H 15 4.550 4.383 0.167 1
1 169 . 7 1 1 A 15 15 LYS C C 15 176.385 178.041 -1.656 1
1 170 . 7 1 1 A 15 15 LYS CA C 15 54.554 56.011 -1.457 1
1 171 . 7 1 1 A 15 15 LYS CB C 15 35.403 33.441 1.962 1
1 175 . 7 1 1 A 15 15 LYS N N 15 120.221 121.367 -1.146 1
1 176 . 7 1 1 A 16 16 ASN H H 16 9.025 8.997 0.028 1
1 177 . 7 1 1 A 16 16 ASN HA H 16 4.386 4.453 -0.067 1
1 182 . 7 1 1 A 16 16 ASN C C 16 175.916 176.001 -0.085 1
1 183 . 7 1 1 A 16 16 ASN CA C 16 54.966 55.758 -0.792 1
1 184 . 7 1 1 A 16 16 ASN CB C 16 37.810 37.890 -0.080 1
1 185 . 7 1 1 A 16 16 ASN N N 16 119.785 120.297 -0.512 1
1 187 . 7 1 1 A 17 17 GLY H H 17 8.780 8.004 0.776 1
1 188 . 7 1 1 A 17 17 GLY HA2 H 17 4.125 3.995 0.130 1
1 189 . 7 1 1 A 17 17 GLY HA3 H 17 3.970 4.011 -0.041 1
1 190 . 7 1 1 A 17 17 GLY C C 17 176.151 175.551 0.600 1
1 191 . 7 1 1 A 17 17 GLY CA C 17 45.996 45.222 0.774 1
1 192 . 7 1 1 A 17 17 GLY N N 17 110.504 106.687 3.817 1
1 193 . 7 1 1 A 18 18 MET H H 18 7.989 7.605 0.384 1
1 194 . 7 1 1 A 18 18 MET HA H 18 4.359 4.202 0.157 1
1 202 . 7 1 1 A 18 18 MET C C 18 178.589 178.187 0.402 1
1 203 . 7 1 1 A 18 18 MET CA C 18 57.405 58.162 -0.757 1
1 204 . 7 1 1 A 18 18 MET CB C 18 31.847 33.578 -1.731 1
1 207 . 7 1 1 A 18 18 MET N N 18 121.860 119.812 2.048 1
1 208 . 7 1 1 A 19 19 THR H H 19 8.807 8.129 0.678 1
1 209 . 7 1 1 A 19 19 THR HA H 19 3.233 3.216 0.017 1
1 215 . 7 1 1 A 19 19 THR C C 19 177.909 176.440 1.469 1
1 216 . 7 1 1 A 19 19 THR CA C 19 65.516 65.316 0.200 1
1 217 . 7 1 1 A 19 19 THR CB C 19 67.000 68.082 -1.082 1
1 219 . 7 1 1 A 19 19 THR N N 19 111.351 112.186 -0.835 1
1 220 . 7 1 1 A 20 20 ASN H H 20 7.936 8.079 -0.143 1
1 221 . 7 1 1 A 20 20 ASN HA H 20 4.083 4.334 -0.251 1
1 226 . 7 1 1 A 20 20 ASN C C 20 176.854 177.074 -0.220 1
1 227 . 7 1 1 A 20 20 ASN CA C 20 57.669 56.555 1.114 1
1 228 . 7 1 1 A 20 20 ASN CB C 20 36.625 38.927 -2.302 1
1 229 . 7 1 1 A 20 20 ASN N N 20 121.577 120.662 0.915 1
1 231 . 7 1 1 A 21 21 GLN H H 21 8.433 8.386 0.047 1
1 232 . 7 1 1 A 21 21 GLN HA H 21 4.046 4.010 0.036 1
1 239 . 7 1 1 A 21 21 GLN C C 21 179.550 178.338 1.212 1
1 240 . 7 1 1 A 21 21 GLN CA C 21 59.187 58.504 0.683 1
1 241 . 7 1 1 A 21 21 GLN CB C 21 28.512 27.758 0.754 1
1 243 . 7 1 1 A 21 21 GLN N N 21 120.250 116.868 3.382 1
1 245 . 7 1 1 A 22 22 ILE H H 22 8.779 7.944 0.835 1
1 246 . 7 1 1 A 22 22 ILE HA H 22 3.823 3.652 0.171 1
1 256 . 7 1 1 A 22 22 ILE C C 22 176.854 177.851 -0.997 1
1 257 . 7 1 1 A 22 22 ILE CA C 22 61.611 65.509 -3.898 1
1 258 . 7 1 1 A 22 22 ILE CB C 22 36.935 37.945 -1.010 1
1 262 . 7 1 1 A 22 22 ILE N N 22 119.497 121.138 -1.641 1
1 263 . 7 1 1 A 23 23 THR H H 23 7.478 8.214 -0.736 1
1 264 . 7 1 1 A 23 23 THR HA H 23 3.523 3.912 -0.389 1
1 270 . 7 1 1 A 23 23 THR C C 23 176.502 176.731 -0.229 1
1 271 . 7 1 1 A 23 23 THR CA C 23 67.006 66.492 0.514 1
1 272 . 7 1 1 A 23 23 THR CB C 23 67.305 68.247 -0.942 1
1 274 . 7 1 1 A 23 23 THR N N 23 115.702 116.199 -0.497 1
1 275 . 7 1 1 A 24 24 GLY H H 24 8.011 8.163 -0.152 1
1 276 . 7 1 1 A 24 24 GLY HA2 H 24 3.880 3.655 0.225 1
1 277 . 7 1 1 A 24 24 GLY HA3 H 24 3.672 3.666 0.006 1
1 278 . 7 1 1 A 24 24 GLY C C 24 176.385 175.903 0.482 1
1 279 . 7 1 1 A 24 24 GLY CA C 24 47.163 47.193 -0.030 1
1 280 . 7 1 1 A 24 24 GLY N N 24 110.691 108.040 2.651 1
1 281 . 7 1 1 A 25 25 VAL H H 25 7.898 8.204 -0.306 1
1 282 . 7 1 1 A 25 25 VAL HA H 25 3.473 3.652 -0.179 1
1 290 . 7 1 1 A 25 25 VAL C C 25 178.286 177.592 0.694 1
1 291 . 7 1 1 A 25 25 VAL CA C 25 66.432 65.783 0.649 1
1 292 . 7 1 1 A 25 25 VAL CB C 25 31.925 31.703 0.222 1
1 295 . 7 1 1 A 25 25 VAL N N 25 123.276 121.769 1.507 1
1 296 . 7 1 1 A 26 26 ILE H H 26 7.646 7.949 -0.303 1
1 297 . 7 1 1 A 26 26 ILE HA H 26 2.698 2.049 0.649 1
1 307 . 7 1 1 A 26 26 ILE C C 26 177.440 177.704 -0.264 1
1 308 . 7 1 1 A 26 26 ILE CA C 26 64.163 64.581 -0.418 1
1 309 . 7 1 1 A 26 26 ILE CB C 26 37.876 37.262 0.614 1
1 313 . 7 1 1 A 26 26 ILE N N 26 116.606 120.267 -3.661 1
1 314 . 7 1 1 A 27 27 SER H H 27 7.783 7.827 -0.044 1
1 315 . 7 1 1 A 27 27 SER HA H 27 3.908 4.175 -0.267 1
1 319 . 7 1 1 A 27 27 SER C C 27 175.330 175.359 -0.029 1
1 320 . 7 1 1 A 27 27 SER CA C 27 61.465 61.909 -0.444 1
1 321 . 7 1 1 A 27 27 SER CB C 27 63.388 62.845 0.543 1
1 322 . 7 1 1 A 27 27 SER N N 27 112.932 116.246 -3.314 1
1 323 . 7 1 1 A 28 28 LYS H H 28 7.008 7.315 -0.307 1
1 324 . 7 1 1 A 28 28 LYS HA H 28 4.234 4.284 -0.050 1
1 333 . 7 1 1 A 28 28 LYS C C 28 177.323 176.988 0.335 1
1 334 . 7 1 1 A 28 28 LYS CA C 28 56.161 55.935 0.226 1
1 335 . 7 1 1 A 28 28 LYS CB C 28 32.742 32.747 -0.005 1
1 339 . 7 1 1 A 28 28 LYS N N 28 118.978 117.187 1.791 1
1 340 . 7 1 1 A 29 29 PHE H H 29 7.691 7.232 0.459 1
1 341 . 7 1 1 A 29 29 PHE HA H 29 4.576 4.496 0.080 1
1 349 . 7 1 1 A 29 29 PHE C C 29 175.841 176.121 -0.280 1
1 350 . 7 1 1 A 29 29 PHE CA C 29 56.366 58.396 -2.030 1
1 351 . 7 1 1 A 29 29 PHE CB C 29 38.723 40.132 -1.409 1
1 355 . 7 1 1 A 29 29 PHE N N 29 120.755 119.949 0.806 1
1 356 . 7 1 1 A 30 30 ASP H H 30 8.388 8.725 -0.337 1
1 357 . 7 1 1 A 30 30 ASP HA H 30 4.650 4.591 0.059 1
1 360 . 7 1 1 A 30 30 ASP C C 30 175.096 176.250 -1.154 1
1 361 . 7 1 1 A 30 30 ASP CA C 30 53.331 56.164 -2.833 1
1 362 . 7 1 1 A 30 30 ASP CB C 30 38.691 41.725 -3.034 1
1 363 . 7 1 1 A 30 30 ASP N N 30 122.230 121.041 1.189 1
1 364 . 7 1 1 A 31 31 THR H H 31 7.663 7.703 -0.040 1
1 365 . 7 1 1 A 31 31 THR HA H 31 4.558 4.529 0.029 1
1 370 . 7 1 1 A 31 31 THR C C 31 173.297 173.411 -0.114 1
1 371 . 7 1 1 A 31 31 THR CA C 31 59.333 60.510 -1.177 1
1 372 . 7 1 1 A 31 31 THR CB C 31 70.319 71.028 -0.709 1
1 374 . 7 1 1 A 31 31 THR N N 31 112.538 115.227 -2.689 1
1 375 . 7 1 1 A 32 32 ASN H H 32 8.308 8.661 -0.353 1
1 376 . 7 1 1 A 32 32 ASN HA H 32 4.910 5.039 -0.129 1
1 381 . 7 1 1 A 32 32 ASN C C 32 175.447 174.869 0.578 1
1 382 . 7 1 1 A 32 32 ASN CA C 32 52.732 52.587 0.145 1
1 383 . 7 1 1 A 32 32 ASN CB C 32 39.337 39.911 -0.574 1
1 384 . 7 1 1 A 32 32 ASN N N 32 121.973 123.572 -1.599 1
1 386 . 7 1 1 A 33 33 ILE H H 33 8.320 8.871 -0.551 1
1 387 . 7 1 1 A 33 33 ILE HA H 33 3.846 4.157 -0.311 1
1 397 . 7 1 1 A 33 33 ILE C C 33 175.230 176.293 -1.063 1
1 398 . 7 1 1 A 33 33 ILE CA C 33 63.300 61.793 1.507 1
1 399 . 7 1 1 A 33 33 ILE CB C 33 39.167 36.804 2.363 1
1 403 . 7 1 1 A 33 33 ILE N N 33 125.984 127.014 -1.030 1
1 404 . 7 1 1 A 34 34 ARG H H 34 8.858 8.769 0.089 1
1 405 . 7 1 1 A 34 34 ARG HA H 34 4.538 4.270 0.268 1
1 413 . 7 1 1 A 34 34 ARG C C 34 175.565 175.895 -0.330 1
1 414 . 7 1 1 A 34 34 ARG CA C 34 54.900 58.418 -3.518 1
1 415 . 7 1 1 A 34 34 ARG CB C 34 30.275 31.326 -1.051 1
1 418 . 7 1 1 A 34 34 ARG N N 34 126.537 130.353 -3.816 1
1 420 . 7 1 1 A 35 35 THR H H 35 7.698 7.522 0.176 1
1 421 . 7 1 1 A 35 35 THR HA H 35 5.311 4.951 0.360 1
1 426 . 7 1 1 A 35 35 THR C C 35 173.807 172.480 1.327 1
1 427 . 7 1 1 A 35 35 THR CA C 35 61.040 61.062 -0.022 1
1 428 . 7 1 1 A 35 35 THR CB C 35 74.055 73.231 0.824 1
1 430 . 7 1 1 A 35 35 THR N N 35 111.895 110.065 1.830 1
1 431 . 7 1 1 A 36 36 ILE H H 36 8.907 8.584 0.323 1
1 432 . 7 1 1 A 36 36 ILE HA H 36 4.753 5.080 -0.327 1
1 442 . 7 1 1 A 36 36 ILE C C 36 174.275 173.295 0.980 1
1 443 . 7 1 1 A 36 36 ILE CA C 36 61.400 60.126 1.274 1
1 444 . 7 1 1 A 36 36 ILE CB C 36 42.569 41.781 0.788 1
1 448 . 7 1 1 A 36 36 ILE N N 36 123.257 123.375 -0.118 1
1 449 . 7 1 1 A 37 37 VAL H H 37 8.933 8.990 -0.057 1
1 450 . 7 1 1 A 37 37 VAL HA H 37 4.903 4.623 0.280 1
1 458 . 7 1 1 A 37 37 VAL C C 37 174.684 173.962 0.722 1
1 459 . 7 1 1 A 37 37 VAL CA C 37 62.100 61.663 0.437 1
1 460 . 7 1 1 A 37 37 VAL CB C 37 34.186 33.976 0.210 1
1 463 . 7 1 1 A 37 37 VAL N N 37 126.323 128.896 -2.573 1
1 464 . 7 1 1 A 38 38 LEU H H 38 9.751 8.991 0.760 1
1 465 . 7 1 1 A 38 38 LEU HA H 38 5.636 5.293 0.343 1
1 475 . 7 1 1 A 38 38 LEU C C 38 174.510 175.267 -0.757 1
1 476 . 7 1 1 A 38 38 LEU CA C 38 53.810 53.830 -0.020 1
1 477 . 7 1 1 A 38 38 LEU CB C 38 45.655 44.463 1.192 1
1 481 . 7 1 1 A 38 38 LEU N N 38 133.332 129.905 3.427 1
1 482 . 7 1 1 A 39 39 ASN H H 39 8.952 8.653 0.299 1
1 483 . 7 1 1 A 39 39 ASN HA H 39 5.450 5.563 -0.113 1
1 488 . 7 1 1 A 39 39 ASN C C 39 172.869 173.255 -0.386 1
1 489 . 7 1 1 A 39 39 ASN CA C 39 53.137 51.376 1.761 1
1 490 . 7 1 1 A 39 39 ASN CB C 39 43.287 42.247 1.040 1
1 491 . 7 1 1 A 39 39 ASN N N 39 123.262 123.590 -0.328 1
1 493 . 7 1 1 A 40 40 ALA H H 40 8.467 9.020 -0.553 1
1 494 . 7 1 1 A 40 40 ALA HA H 40 5.345 5.132 0.213 1
1 498 . 7 1 1 A 40 40 ALA C C 40 175.447 176.888 -1.441 1
1 499 . 7 1 1 A 40 40 ALA CA C 40 51.370 51.217 0.153 1
1 500 . 7 1 1 A 40 40 ALA CB C 40 20.975 19.883 1.092 1
1 501 . 7 1 1 A 40 40 ALA N N 40 127.058 126.172 0.886 1
1 502 . 7 1 1 A 41 41 LYS H H 41 8.865 8.661 0.204 1
1 503 . 7 1 1 A 41 41 LYS HA H 41 4.435 4.812 -0.377 1
1 512 . 7 1 1 A 41 41 LYS C C 41 175.565 175.908 -0.343 1
1 513 . 7 1 1 A 41 41 LYS CA C 41 56.736 55.108 1.628 1
1 514 . 7 1 1 A 41 41 LYS CB C 41 34.811 35.205 -0.394 1
1 518 . 7 1 1 A 41 41 LYS N N 41 121.996 122.804 -0.808 1
1 519 . 7 1 1 A 42 42 ASP H H 42 9.197 9.435 -0.238 1
1 520 . 7 1 1 A 42 42 ASP HA H 42 4.373 4.316 0.057 1
1 523 . 7 1 1 A 42 42 ASP C C 42 175.447 175.427 0.020 1
1 524 . 7 1 1 A 42 42 ASP CA C 42 55.547 55.091 0.456 1
1 525 . 7 1 1 A 42 42 ASP CB C 42 39.485 39.792 -0.307 1
1 526 . 7 1 1 A 42 42 ASP N N 42 122.213 120.500 1.713 1
1 527 . 7 1 1 A 43 43 GLY H H 43 9.306 8.618 0.688 1
1 528 . 7 1 1 A 43 43 GLY HA2 H 43 4.443 3.859 0.584 1
1 529 . 7 1 1 A 43 43 GLY HA3 H 43 3.816 3.865 -0.049 1
1 530 . 7 1 1 A 43 43 GLY C C 43 174.979 173.899 1.080 1
1 531 . 7 1 1 A 43 43 GLY CA C 43 45.661 45.518 0.143 1
1 532 . 7 1 1 A 43 43 GLY N N 43 104.610 104.329 0.281 1
1 533 . 7 1 1 A 44 44 ILE H H 44 8.117 8.011 0.106 1
1 534 . 7 1 1 A 44 44 ILE HA H 44 5.112 4.738 0.374 1
1 544 . 7 1 1 A 44 44 ILE C C 44 175.213 174.941 0.272 1
1 545 . 7 1 1 A 44 44 ILE CA C 44 59.040 59.400 -0.360 1
1 546 . 7 1 1 A 44 44 ILE CB C 44 42.013 41.147 0.866 1
1 550 . 7 1 1 A 44 44 ILE N N 44 122.284 121.919 0.365 1
1 551 . 7 1 1 A 45 45 PHE H H 45 8.955 8.601 0.354 1
1 552 . 7 1 1 A 45 45 PHE HA H 45 5.740 6.232 -0.492 1
1 560 . 7 1 1 A 45 45 PHE C C 45 172.283 173.587 -1.304 1
1 561 . 7 1 1 A 45 45 PHE CA C 45 55.872 55.173 0.699 1
1 562 . 7 1 1 A 45 45 PHE CB C 45 42.740 42.053 0.687 1
1 566 . 7 1 1 A 45 45 PHE N N 45 121.747 122.854 -1.107 1
1 567 . 7 1 1 A 46 46 THR H H 46 8.659 9.009 -0.350 1
1 568 . 7 1 1 A 46 46 THR HA H 46 5.111 5.159 -0.048 1
1 574 . 7 1 1 A 46 46 THR C C 46 174.041 172.890 1.151 1
1 575 . 7 1 1 A 46 46 THR CA C 46 59.750 60.310 -0.560 1
1 576 . 7 1 1 A 46 46 THR CB C 46 71.380 70.427 0.953 1
1 578 . 7 1 1 A 46 46 THR N N 46 113.420 118.063 -4.643 1
1 579 . 7 1 1 A 47 47 CYS H H 47 9.619 9.530 0.089 1
1 580 . 7 1 1 A 47 47 CYS HA H 47 5.562 4.961 0.601 1
1 584 . 7 1 1 A 47 47 CYS C C 47 172.283 173.353 -1.070 1
1 585 . 7 1 1 A 47 47 CYS CA C 47 56.776 57.854 -1.078 1
1 586 . 7 1 1 A 47 47 CYS CB C 47 29.112 28.175 0.937 1
1 587 . 7 1 1 A 47 47 CYS N N 47 124.781 129.615 -4.834 1
1 588 . 7 1 1 A 48 48 ASN H H 48 9.293 9.326 -0.033 1
1 589 . 7 1 1 A 48 48 ASN HA H 48 5.629 5.459 0.170 1
1 594 . 7 1 1 A 48 48 ASN C C 48 173.455 174.070 -0.615 1
1 595 . 7 1 1 A 48 48 ASN CA C 48 51.962 52.772 -0.810 1
1 596 . 7 1 1 A 48 48 ASN CB C 48 40.059 39.280 0.779 1
1 597 . 7 1 1 A 48 48 ASN N N 48 129.520 126.032 3.488 1
1 599 . 7 1 1 A 49 49 LEU H H 49 9.435 9.241 0.194 1
1 600 . 7 1 1 A 49 49 LEU HA H 49 5.158 4.966 0.192 1
1 610 . 7 1 1 A 49 49 LEU C C 49 174.510 174.549 -0.039 1
1 611 . 7 1 1 A 49 49 LEU CA C 49 53.178 53.666 -0.488 1
1 612 . 7 1 1 A 49 49 LEU CB C 49 46.402 44.676 1.726 1
1 616 . 7 1 1 A 49 49 LEU N N 49 125.541 127.228 -1.687 1
1 617 . 7 1 1 A 50 50 MET H H 50 8.978 9.098 -0.120 1
1 618 . 7 1 1 A 50 50 MET HA H 50 5.723 5.460 0.263 1
1 626 . 7 1 1 A 50 50 MET C C 50 175.682 174.772 0.910 1
1 627 . 7 1 1 A 50 50 MET CA C 50 54.073 54.229 -0.156 1
1 628 . 7 1 1 A 50 50 MET CB C 50 33.643 35.023 -1.380 1
1 631 . 7 1 1 A 50 50 MET N N 50 123.131 124.933 -1.802 1
1 632 . 7 1 1 A 51 51 ILE H H 51 9.056 8.726 0.330 1
1 633 . 7 1 1 A 51 51 ILE HA H 51 5.044 5.091 -0.047 1
1 643 . 7 1 1 A 51 51 ILE C C 51 173.689 174.076 -0.387 1
1 644 . 7 1 1 A 51 51 ILE CA C 51 58.495 59.086 -0.591 1
1 645 . 7 1 1 A 51 51 ILE CB C 51 41.447 42.159 -0.712 1
1 649 . 7 1 1 A 51 51 ILE N N 51 118.753 118.036 0.717 1
1 650 . 7 1 1 A 52 52 PHE H H 52 8.324 8.676 -0.352 1
1 651 . 7 1 1 A 52 52 PHE HA H 52 5.345 5.133 0.212 1
1 659 . 7 1 1 A 52 52 PHE C C 52 176.084 175.802 0.282 1
1 660 . 7 1 1 A 52 52 PHE CA C 52 56.478 57.053 -0.575 1
1 661 . 7 1 1 A 52 52 PHE CB C 52 40.520 40.301 0.219 1
1 665 . 7 1 1 A 52 52 PHE N N 52 120.910 122.264 -1.354 1
1 666 . 7 1 1 A 53 53 VAL H H 53 8.865 8.730 0.135 1
1 667 . 7 1 1 A 53 53 VAL HA H 53 4.663 4.654 0.009 1
1 675 . 7 1 1 A 53 53 VAL C C 53 174.812 176.107 -1.295 1
1 676 . 7 1 1 A 53 53 VAL CA C 53 58.881 59.126 -0.245 1
1 677 . 7 1 1 A 53 53 VAL CB C 53 35.707 34.010 1.697 1
1 680 . 7 1 1 A 53 53 VAL N N 53 118.244 118.730 -0.486 1
1 681 . 7 1 1 A 54 54 LYS H H 54 8.335 8.648 -0.313 1
1 682 . 7 1 1 A 54 54 LYS HA H 54 4.324 4.406 -0.082 1
1 691 . 7 1 1 A 54 54 LYS C C 54 176.655 176.434 0.221 1
1 692 . 7 1 1 A 54 54 LYS CA C 54 58.039 57.941 0.098 1
1 693 . 7 1 1 A 54 54 LYS CB C 54 33.974 32.545 1.429 1
1 697 . 7 1 1 A 54 54 LYS N N 54 120.334 121.447 -1.113 1
1 698 . 7 1 1 A 55 55 ASN H H 55 7.235 7.650 -0.415 1
1 699 . 7 1 1 A 55 55 ASN HA H 55 4.888 5.188 -0.300 1
1 704 . 7 1 1 A 55 55 ASN C C 55 175.083 175.231 -0.148 1
1 705 . 7 1 1 A 55 55 ASN CA C 55 52.173 52.233 -0.060 1
1 706 . 7 1 1 A 55 55 ASN CB C 55 39.333 39.710 -0.377 1
1 707 . 7 1 1 A 55 55 ASN N N 55 108.018 114.412 -6.394 1
1 709 . 7 1 1 A 56 56 THR H H 56 8.865 8.703 0.162 1
1 710 . 7 1 1 A 56 56 THR HA H 56 4.036 4.232 -0.196 1
1 715 . 7 1 1 A 56 56 THR C C 56 178.637 176.586 2.051 1
1 716 . 7 1 1 A 56 56 THR CA C 56 65.800 66.045 -0.245 1
1 717 . 7 1 1 A 56 56 THR CB C 56 68.341 68.303 0.038 1
1 719 . 7 1 1 A 56 56 THR N N 56 113.338 112.410 0.928 1
1 720 . 7 1 1 A 57 57 ASP H H 57 8.384 8.046 0.338 1
1 721 . 7 1 1 A 57 57 ASP HA H 57 4.467 4.589 -0.122 1
1 724 . 7 1 1 A 57 57 ASP CA C 57 57.400 57.711 -0.311 1
1 725 . 7 1 1 A 57 57 ASP CB C 57 39.938 41.166 -1.228 1
1 726 . 7 1 1 A 57 57 ASP N N 57 124.402 122.147 2.255 1
1 727 . 7 1 1 A 58 58 LYS H H 58 8.266 8.035 0.231 1
1 728 . 7 1 1 A 58 58 LYS HA H 58 4.172 4.011 0.161 1
1 740 . 7 1 1 A 58 58 LYS C C 58 178.378 178.728 -0.350 1
1 741 . 7 1 1 A 58 58 LYS CA C 58 57.695 59.571 -1.876 1
1 742 . 7 1 1 A 58 58 LYS CB C 58 31.763 31.767 -0.004 1
1 746 . 7 1 1 A 58 58 LYS N N 58 120.194 119.785 0.409 1
1 747 . 7 1 1 A 59 59 LEU H H 59 7.302 7.336 -0.034 1
1 748 . 7 1 1 A 59 59 LEU HA H 59 3.907 3.923 -0.016 1
1 758 . 7 1 1 A 59 59 LEU C C 59 177.909 178.359 -0.450 1
1 759 . 7 1 1 A 59 59 LEU CA C 59 57.979 58.023 -0.044 1
1 760 . 7 1 1 A 59 59 LEU CB C 59 41.727 41.623 0.104 1
1 764 . 7 1 1 A 59 59 LEU N N 59 118.583 120.745 -2.162 1
1 765 . 7 1 1 A 60 60 THR H H 60 8.500 8.212 0.288 1
1 766 . 7 1 1 A 60 60 THR HA H 60 3.845 4.071 -0.226 1
1 771 . 7 1 1 A 60 60 THR C C 60 176.502 177.145 -0.643 1
1 772 . 7 1 1 A 60 60 THR CA C 60 66.691 65.873 0.818 1
1 773 . 7 1 1 A 60 60 THR CB C 60 68.390 68.172 0.218 1
1 775 . 7 1 1 A 60 60 THR N N 60 115.462 111.657 3.805 1
1 776 . 7 1 1 A 61 61 THR H H 61 7.996 8.269 -0.273 1
1 777 . 7 1 1 A 61 61 THR HA H 61 4.053 3.932 0.121 1
1 782 . 7 1 1 A 61 61 THR C C 61 176.502 176.299 0.203 1
1 783 . 7 1 1 A 61 61 THR CA C 61 66.420 66.938 -0.518 1
1 784 . 7 1 1 A 61 61 THR CB C 61 68.549 68.368 0.181 1
1 786 . 7 1 1 A 61 61 THR N N 61 117.698 116.978 0.720 1
1 787 . 7 1 1 A 62 62 LEU H H 62 7.717 8.065 -0.348 1
1 788 . 7 1 1 A 62 62 LEU HA H 62 3.542 3.498 0.044 1
1 798 . 7 1 1 A 62 62 LEU C C 62 178.612 178.796 -0.184 1
1 799 . 7 1 1 A 62 62 LEU CA C 62 57.988 57.826 0.162 1
1 800 . 7 1 1 A 62 62 LEU CB C 62 40.241 41.401 -1.160 1
1 804 . 7 1 1 A 62 62 LEU N N 62 122.534 120.294 2.240 1
1 805 . 7 1 1 A 63 63 MET H H 63 8.230 8.178 0.052 1
1 806 . 7 1 1 A 63 63 MET HA H 63 3.771 4.166 -0.395 1
1 814 . 7 1 1 A 63 63 MET C C 63 177.674 178.379 -0.705 1
1 815 . 7 1 1 A 63 63 MET CA C 63 60.699 58.770 1.929 1
1 816 . 7 1 1 A 63 63 MET CB C 63 33.024 32.410 0.614 1
1 819 . 7 1 1 A 63 63 MET N N 63 116.719 116.537 0.182 1
1 820 . 7 1 1 A 64 64 ASP H H 64 8.263 8.261 0.002 1
1 821 . 7 1 1 A 64 64 ASP HA H 64 4.401 4.346 0.055 1
1 824 . 7 1 1 A 64 64 ASP C C 64 178.378 178.632 -0.254 1
1 825 . 7 1 1 A 64 64 ASP CA C 64 57.400 57.446 -0.046 1
1 826 . 7 1 1 A 64 64 ASP CB C 64 40.703 40.356 0.347 1
1 827 . 7 1 1 A 64 64 ASP N N 64 118.611 120.473 -1.862 1
1 828 . 7 1 1 A 65 65 LYS H H 65 7.755 7.943 -0.188 1
1 829 . 7 1 1 A 65 65 LYS HA H 65 3.970 4.052 -0.082 1
1 838 . 7 1 1 A 65 65 LYS C C 65 179.922 179.373 0.549 1
1 839 . 7 1 1 A 65 65 LYS CA C 65 59.466 59.304 0.162 1
1 840 . 7 1 1 A 65 65 LYS CB C 65 32.372 32.494 -0.122 1
1 844 . 7 1 1 A 65 65 LYS N N 65 118.452 119.141 -0.689 1
1 845 . 7 1 1 A 66 66 LEU H H 66 7.768 8.465 -0.697 1
1 846 . 7 1 1 A 66 66 LEU HA H 66 4.066 4.101 -0.035 1
1 856 . 7 1 1 A 66 66 LEU C C 66 177.557 178.574 -1.017 1
1 857 . 7 1 1 A 66 66 LEU CA C 66 57.550 57.579 -0.029 1
1 858 . 7 1 1 A 66 66 LEU CB C 66 43.218 41.055 2.163 1
1 862 . 7 1 1 A 66 66 LEU N N 66 118.471 120.323 -1.852 1
1 863 . 7 1 1 A 67 67 ARG H H 67 8.017 7.857 0.160 1
1 864 . 7 1 1 A 67 67 ARG HA H 67 3.855 4.163 -0.308 1
1 872 . 7 1 1 A 67 67 ARG C C 67 177.440 177.503 -0.063 1
1 873 . 7 1 1 A 67 67 ARG CA C 67 58.584 58.296 0.288 1
1 874 . 7 1 1 A 67 67 ARG CB C 67 30.313 30.059 0.254 1
1 877 . 7 1 1 A 67 67 ARG N N 67 115.702 120.117 -4.415 1
1 879 . 7 1 1 A 68 68 LYS H H 68 7.168 7.310 -0.142 1
1 880 . 7 1 1 A 68 68 LYS HA H 68 4.198 4.342 -0.144 1
1 889 . 7 1 1 A 68 68 LYS C C 68 176.502 175.816 0.686 1
1 890 . 7 1 1 A 68 68 LYS CA C 68 56.149 56.352 -0.203 1
1 891 . 7 1 1 A 68 68 LYS CB C 68 32.725 33.019 -0.294 1
1 895 . 7 1 1 A 68 68 LYS N N 68 115.213 117.052 -1.839 1
1 896 . 7 1 1 A 69 69 VAL H H 69 7.348 7.312 0.036 1
1 897 . 7 1 1 A 69 69 VAL HA H 69 3.776 4.203 -0.427 1
1 905 . 7 1 1 A 69 69 VAL C C 69 175.916 176.983 -1.067 1
1 906 . 7 1 1 A 69 69 VAL CA C 69 63.134 62.241 0.893 1
1 907 . 7 1 1 A 69 69 VAL CB C 69 31.075 31.720 -0.645 1
1 910 . 7 1 1 A 69 69 VAL N N 69 123.611 120.841 2.770 1
1 911 . 7 1 1 A 70 70 GLN H H 70 8.632 8.649 -0.017 1
1 912 . 7 1 1 A 70 70 GLN HA H 70 4.072 4.118 -0.046 1
1 919 . 7 1 1 A 70 70 GLN C C 70 176.151 177.298 -1.147 1
1 920 . 7 1 1 A 70 70 GLN CA C 70 57.800 57.891 -0.091 1
1 921 . 7 1 1 A 70 70 GLN CB C 70 28.100 28.196 -0.096 1
1 923 . 7 1 1 A 70 70 GLN N N 70 130.070 127.218 2.852 1
1 925 . 7 1 1 A 71 71 GLY H H 71 8.783 8.279 0.504 1
1 926 . 7 1 1 A 71 71 GLY HA2 H 71 4.598 4.041 0.557 1
1 927 . 7 1 1 A 71 71 GLY HA3 H 71 3.677 4.050 -0.373 1
1 928 . 7 1 1 A 71 71 GLY C C 71 173.924 173.971 -0.047 1
1 929 . 7 1 1 A 71 71 GLY CA C 71 44.941 45.475 -0.534 1
1 930 . 7 1 1 A 71 71 GLY N N 71 113.801 108.172 5.629 1
1 931 . 7 1 1 A 72 72 VAL H H 72 7.805 7.879 -0.074 1
1 932 . 7 1 1 A 72 72 VAL HA H 72 3.723 3.880 -0.157 1
1 940 . 7 1 1 A 72 72 VAL C C 72 176.502 175.914 0.588 1
1 941 . 7 1 1 A 72 72 VAL CA C 72 64.020 60.986 3.034 1
1 942 . 7 1 1 A 72 72 VAL CB C 72 32.003 33.568 -1.565 1
1 945 . 7 1 1 A 72 72 VAL N N 72 120.334 120.098 0.236 1
1 946 . 7 1 1 A 73 73 PHE H H 73 9.522 7.563 1.959 1
1 947 . 7 1 1 A 73 73 PHE HA H 73 5.109 4.894 0.215 1
1 955 . 7 1 1 A 73 73 PHE C C 73 176.502 174.635 1.867 1
1 956 . 7 1 1 A 73 73 PHE CA C 73 56.354 56.586 -0.232 1
1 957 . 7 1 1 A 73 73 PHE CB C 73 39.615 40.582 -0.967 1
1 961 . 7 1 1 A 73 73 PHE N N 73 127.542 121.174 6.368 1
1 962 . 7 1 1 A 74 74 THR H H 74 7.972 7.580 0.392 1
1 963 . 7 1 1 A 74 74 THR HA H 74 4.736 4.875 -0.139 1
1 968 . 7 1 1 A 74 74 THR C C 74 172.400 173.531 -1.131 1
1 969 . 7 1 1 A 74 74 THR CA C 74 60.604 60.768 -0.164 1
1 970 . 7 1 1 A 74 74 THR CB C 74 72.576 71.341 1.235 1
1 972 . 7 1 1 A 74 74 THR N N 74 111.809 110.367 1.442 1
1 973 . 7 1 1 A 75 75 VAL H H 75 8.584 9.052 -0.468 1
1 974 . 7 1 1 A 75 75 VAL HA H 75 4.878 4.864 0.014 1
1 982 . 7 1 1 A 75 75 VAL C C 75 174.510 174.991 -0.481 1
1 983 . 7 1 1 A 75 75 VAL CA C 75 61.844 61.628 0.216 1
1 984 . 7 1 1 A 75 75 VAL CB C 75 34.500 33.901 0.599 1
1 987 . 7 1 1 A 75 75 VAL N N 75 122.820 125.768 -2.948 1
1 988 . 7 1 1 A 76 76 GLU H H 76 9.029 8.994 0.035 1
1 989 . 7 1 1 A 76 76 GLU HA H 76 4.861 4.971 -0.110 1
1 994 . 7 1 1 A 76 76 GLU C C 76 174.510 174.418 0.092 1
1 995 . 7 1 1 A 76 76 GLU CA C 76 53.757 54.562 -0.805 1
1 996 . 7 1 1 A 76 76 GLU CB C 76 34.230 33.474 0.756 1
1 998 . 7 1 1 A 76 76 GLU N N 76 124.572 125.818 -1.246 1
1 999 . 7 1 1 A 77 77 ARG H H 77 8.962 8.539 0.423 1
1 1000 . 7 1 1 A 77 77 ARG HA H 77 4.736 4.608 0.128 1
1 1008 . 7 1 1 A 77 77 ARG C C 77 176.502 175.767 0.735 1
1 1009 . 7 1 1 A 77 77 ARG CA C 77 55.521 56.077 -0.556 1
1 1010 . 7 1 1 A 77 77 ARG CB C 77 30.893 31.443 -0.550 1
1 1013 . 7 1 1 A 77 77 ARG N N 77 122.875 123.235 -0.360 1
1 1015 . 7 1 1 A 78 78 LEU H H 78 8.252 9.098 -0.846 1
1 1016 . 7 1 1 A 78 78 LEU HA H 78 4.505 4.464 0.041 1
1 1026 . 7 1 1 A 78 78 LEU C C 78 176.737 176.425 0.312 1
1 1027 . 7 1 1 A 78 78 LEU CA C 78 53.875 54.451 -0.576 1
1 1028 . 7 1 1 A 78 78 LEU CB C 78 43.228 40.902 2.326 1
1 1032 . 7 1 1 A 78 78 LEU N N 78 127.062 127.536 -0.474 1
1 1033 . 7 1 1 A 79 79 SER H H 79 8.635 8.785 -0.150 1
1 1034 . 7 1 1 A 79 79 SER HA H 79 4.492 4.306 0.186 1
1 1037 . 7 1 1 A 79 79 SER C C 79 174.041 174.738 -0.697 1
1 1038 . 7 1 1 A 79 79 SER CA C 79 58.465 61.503 -3.038 1
1 1039 . 7 1 1 A 79 79 SER CB C 79 63.993 63.246 0.747 1
1 1040 . 7 1 1 A 79 79 SER N N 79 118.446 121.402 -2.956 1
1 1041 . 7 1 1 A 80 80 ASN H H 80 8.421 8.121 0.300 1
1 1042 . 7 1 1 A 80 80 ASN HA H 80 4.668 4.977 -0.309 1
1 1047 . 7 1 1 A 80 80 ASN C C 80 175.096 173.821 1.275 1
1 1048 . 7 1 1 A 80 80 ASN CA C 80 53.300 52.348 0.952 1
1 1049 . 7 1 1 A 80 80 ASN CB C 80 38.300 38.698 -0.398 1
1 1050 . 7 1 1 A 80 80 ASN N N 80 119.339 119.381 -0.042 1
1 1052 . 7 1 1 A 81 81 LEU H H 81 8.256 8.750 -0.494 1
1 1053 . 7 1 1 A 81 81 LEU HA H 81 4.258 4.613 -0.355 1
1 1063 . 7 1 1 A 81 81 LEU C C 81 177.323 178.329 -1.006 1
1 1064 . 7 1 1 A 81 81 LEU CA C 81 55.263 54.461 0.802 1
1 1065 . 7 1 1 A 81 81 LEU CB C 81 41.756 42.353 -0.597 1
1 1069 . 7 1 1 A 81 81 LEU N N 81 121.238 125.456 -4.218 1
1 1070 . 7 1 1 A 82 82 GLU H H 82 8.282 9.098 -0.816 1
1 1071 . 7 1 1 A 82 82 GLU HA H 82 4.169 4.423 -0.254 1
1 1076 . 7 1 1 A 82 82 GLU C C 82 176.385 176.643 -0.258 1
1 1077 . 7 1 1 A 82 82 GLU CA C 82 56.762 57.344 -0.582 1
1 1078 . 7 1 1 A 82 82 GLU CB C 82 29.997 28.822 1.175 1
1 1080 . 7 1 1 A 82 82 GLU N N 82 120.037 120.799 -0.762 1
1 1081 . 7 1 1 A 83 83 HIS H H 83 8.195 8.025 0.170 1
1 1082 . 7 1 1 A 83 83 HIS HA H 83 4.535 4.804 -0.269 1
1 1087 . 7 1 1 A 83 83 HIS C C 83 175.081 174.878 0.203 1
1 1088 . 7 1 1 A 83 83 HIS CA C 83 55.951 55.480 0.471 1
1 1089 . 7 1 1 A 83 83 HIS CB C 83 30.366 29.558 0.808 1
1 1 . 8 1 1 A 2 2 THR HA H 2 3.782 4.815 -1.033 1
1 6 . 8 1 1 A 2 2 THR C C 2 171.502 173.645 -2.143 1
1 7 . 8 1 1 A 2 2 THR CA C 2 61.906 61.799 0.107 1
1 8 . 8 1 1 A 2 2 THR CB C 2 69.449 71.159 -1.710 1
1 10 . 8 1 1 A 3 3 ASP H H 3 8.636 8.780 -0.144 1
1 11 . 8 1 1 A 3 3 ASP HA H 3 4.803 5.126 -0.323 1
1 14 . 8 1 1 A 3 3 ASP C C 3 175.330 176.546 -1.216 1
1 15 . 8 1 1 A 3 3 ASP CA C 3 54.454 54.516 -0.062 1
1 16 . 8 1 1 A 3 3 ASP CB C 3 41.426 41.228 0.198 1
1 17 . 8 1 1 A 3 3 ASP N N 3 125.850 127.091 -1.241 1
1 18 . 8 1 1 A 4 4 PHE H H 4 8.608 8.571 0.037 1
1 19 . 8 1 1 A 4 4 PHE HA H 4 5.042 5.670 -0.628 1
1 27 . 8 1 1 A 4 4 PHE C C 4 172.986 172.762 0.224 1
1 28 . 8 1 1 A 4 4 PHE CA C 4 55.505 55.293 0.212 1
1 29 . 8 1 1 A 4 4 PHE CB C 4 41.288 42.324 -1.036 1
1 33 . 8 1 1 A 4 4 PHE N N 4 117.566 117.421 0.145 1
1 34 . 8 1 1 A 5 5 LEU H H 5 8.498 8.523 -0.025 1
1 35 . 8 1 1 A 5 5 LEU HA H 5 4.532 4.020 0.512 1
1 45 . 8 1 1 A 5 5 LEU C C 5 175.330 174.766 0.564 1
1 46 . 8 1 1 A 5 5 LEU CA C 5 54.222 53.775 0.447 1
1 47 . 8 1 1 A 5 5 LEU CB C 5 42.932 42.465 0.467 1
1 51 . 8 1 1 A 5 5 LEU N N 5 123.329 122.462 0.867 1
1 52 . 8 1 1 A 6 6 ALA H H 6 9.325 8.817 0.508 1
1 53 . 8 1 1 A 6 6 ALA HA H 6 4.769 5.271 -0.502 1
1 57 . 8 1 1 A 6 6 ALA C C 6 174.744 177.029 -2.285 1
1 58 . 8 1 1 A 6 6 ALA CA C 6 50.500 50.830 -0.330 1
1 59 . 8 1 1 A 6 6 ALA CB C 6 23.746 20.904 2.842 1
1 60 . 8 1 1 A 6 6 ALA N N 6 129.530 130.519 -0.989 1
1 61 . 8 1 1 A 7 7 GLY H H 7 8.639 8.790 -0.151 1
1 62 . 8 1 1 A 7 7 GLY HA2 H 7 5.721 4.221 1.500 1
1 63 . 8 1 1 A 7 7 GLY HA3 H 7 3.508 4.236 -0.728 1
1 64 . 8 1 1 A 7 7 GLY C C 7 173.221 171.827 1.394 1
1 65 . 8 1 1 A 7 7 GLY CA C 7 45.351 43.939 1.412 1
1 66 . 8 1 1 A 7 7 GLY N N 7 106.888 109.106 -2.218 1
1 67 . 8 1 1 A 8 8 ILE H H 8 9.356 9.153 0.203 1
1 68 . 8 1 1 A 8 8 ILE HA H 8 4.957 4.960 -0.003 1
1 78 . 8 1 1 A 8 8 ILE C C 8 172.986 174.084 -1.098 1
1 79 . 8 1 1 A 8 8 ILE CA C 8 59.551 60.240 -0.689 1
1 80 . 8 1 1 A 8 8 ILE CB C 8 43.405 41.501 1.904 1
1 84 . 8 1 1 A 8 8 ILE N N 8 122.820 124.265 -1.445 1
1 85 . 8 1 1 A 9 9 ARG H H 9 9.364 9.628 -0.264 1
1 86 . 8 1 1 A 9 9 ARG HA H 9 5.609 5.185 0.424 1
1 94 . 8 1 1 A 9 9 ARG C C 9 175.096 174.834 0.262 1
1 95 . 8 1 1 A 9 9 ARG CA C 9 54.192 54.800 -0.608 1
1 96 . 8 1 1 A 9 9 ARG CB C 9 33.400 32.892 0.508 1
1 99 . 8 1 1 A 9 9 ARG N N 9 126.323 128.176 -1.853 1
1 101 . 8 1 1 A 10 10 ILE H H 10 9.479 9.351 0.128 1
1 102 . 8 1 1 A 10 10 ILE HA H 10 5.089 4.949 0.140 1
1 112 . 8 1 1 A 10 10 ILE C C 10 174.275 174.515 -0.240 1
1 113 . 8 1 1 A 10 10 ILE CA C 10 60.127 59.867 0.260 1
1 114 . 8 1 1 A 10 10 ILE CB C 10 42.651 39.996 2.655 1
1 118 . 8 1 1 A 10 10 ILE N N 10 128.583 127.784 0.799 1
1 119 . 8 1 1 A 11 11 VAL H H 11 8.581 8.836 -0.255 1
1 120 . 8 1 1 A 11 11 VAL HA H 11 4.793 4.912 -0.119 1
1 128 . 8 1 1 A 11 11 VAL C C 11 175.827 174.630 1.197 1
1 129 . 8 1 1 A 11 11 VAL CA C 11 60.201 60.382 -0.181 1
1 130 . 8 1 1 A 11 11 VAL CB C 11 34.522 33.749 0.773 1
1 133 . 8 1 1 A 11 11 VAL N N 11 126.323 128.150 -1.827 1
1 134 . 8 1 1 A 12 12 GLY H H 12 7.713 7.222 0.491 1
1 135 . 8 1 1 A 12 12 GLY HA2 H 12 3.434 2.969 0.465 1
1 136 . 8 1 1 A 12 12 GLY HA3 H 12 3.563 3.746 -0.183 1
1 137 . 8 1 1 A 12 12 GLY C C 12 170.332 172.592 -2.260 1
1 138 . 8 1 1 A 12 12 GLY CA C 12 45.842 43.720 2.122 1
1 139 . 8 1 1 A 12 12 GLY N N 12 113.216 113.250 -0.034 1
1 140 . 8 1 1 A 13 13 GLU H H 13 8.180 8.335 -0.155 1
1 141 . 8 1 1 A 13 13 GLU HA H 13 4.387 4.427 -0.040 1
1 146 . 8 1 1 A 13 13 GLU C C 13 175.409 175.666 -0.257 1
1 147 . 8 1 1 A 13 13 GLU CA C 13 55.865 56.715 -0.850 1
1 148 . 8 1 1 A 13 13 GLU CB C 13 31.102 30.183 0.919 1
1 150 . 8 1 1 A 13 13 GLU N N 13 119.035 118.236 0.799 1
1 151 . 8 1 1 A 14 14 ASP H H 14 8.095 8.873 -0.778 1
1 152 . 8 1 1 A 14 14 ASP HA H 14 4.888 4.856 0.032 1
1 155 . 8 1 1 A 14 14 ASP C C 14 174.991 174.782 0.209 1
1 156 . 8 1 1 A 14 14 ASP CA C 14 52.473 53.545 -1.072 1
1 157 . 8 1 1 A 14 14 ASP CB C 14 40.364 40.092 0.272 1
1 158 . 8 1 1 A 14 14 ASP N N 14 122.877 124.048 -1.171 1
1 159 . 8 1 1 A 15 15 LYS H H 15 7.345 8.358 -1.013 1
1 160 . 8 1 1 A 15 15 LYS HA H 15 4.550 4.629 -0.079 1
1 169 . 8 1 1 A 15 15 LYS C C 15 176.385 178.170 -1.785 1
1 170 . 8 1 1 A 15 15 LYS CA C 15 54.554 54.855 -0.301 1
1 171 . 8 1 1 A 15 15 LYS CB C 15 35.403 34.075 1.328 1
1 175 . 8 1 1 A 15 15 LYS N N 15 120.221 126.197 -5.976 1
1 176 . 8 1 1 A 16 16 ASN H H 16 9.025 8.847 0.178 1
1 177 . 8 1 1 A 16 16 ASN HA H 16 4.386 4.412 -0.026 1
1 182 . 8 1 1 A 16 16 ASN C C 16 175.916 176.714 -0.798 1
1 183 . 8 1 1 A 16 16 ASN CA C 16 54.966 55.869 -0.903 1
1 184 . 8 1 1 A 16 16 ASN CB C 16 37.810 38.236 -0.426 1
1 185 . 8 1 1 A 16 16 ASN N N 16 119.785 119.712 0.073 1
1 187 . 8 1 1 A 17 17 GLY H H 17 8.780 8.068 0.712 1
1 188 . 8 1 1 A 17 17 GLY HA2 H 17 4.125 3.985 0.140 1
1 189 . 8 1 1 A 17 17 GLY HA3 H 17 3.970 4.002 -0.032 1
1 190 . 8 1 1 A 17 17 GLY C C 17 176.151 175.444 0.707 1
1 191 . 8 1 1 A 17 17 GLY CA C 17 45.996 45.208 0.788 1
1 192 . 8 1 1 A 17 17 GLY N N 17 110.504 107.704 2.800 1
1 193 . 8 1 1 A 18 18 MET H H 18 7.989 7.711 0.278 1
1 194 . 8 1 1 A 18 18 MET HA H 18 4.359 4.221 0.138 1
1 202 . 8 1 1 A 18 18 MET C C 18 178.589 178.177 0.412 1
1 203 . 8 1 1 A 18 18 MET CA C 18 57.405 58.196 -0.791 1
1 204 . 8 1 1 A 18 18 MET CB C 18 31.847 33.618 -1.771 1
1 207 . 8 1 1 A 18 18 MET N N 18 121.860 119.719 2.141 1
1 208 . 8 1 1 A 19 19 THR H H 19 8.807 8.175 0.632 1
1 209 . 8 1 1 A 19 19 THR HA H 19 3.233 3.268 -0.035 1
1 215 . 8 1 1 A 19 19 THR C C 19 177.909 177.057 0.852 1
1 216 . 8 1 1 A 19 19 THR CA C 19 65.516 65.268 0.248 1
1 217 . 8 1 1 A 19 19 THR CB C 19 67.000 68.002 -1.002 1
1 219 . 8 1 1 A 19 19 THR N N 19 111.351 112.150 -0.799 1
1 220 . 8 1 1 A 20 20 ASN H H 20 7.936 7.897 0.039 1
1 221 . 8 1 1 A 20 20 ASN HA H 20 4.083 4.424 -0.341 1
1 226 . 8 1 1 A 20 20 ASN C C 20 176.854 177.676 -0.822 1
1 227 . 8 1 1 A 20 20 ASN CA C 20 57.669 55.787 1.882 1
1 228 . 8 1 1 A 20 20 ASN CB C 20 36.625 38.284 -1.659 1
1 229 . 8 1 1 A 20 20 ASN N N 20 121.577 120.658 0.919 1
1 231 . 8 1 1 A 21 21 GLN H H 21 8.433 8.219 0.214 1
1 232 . 8 1 1 A 21 21 GLN HA H 21 4.046 3.999 0.047 1
1 239 . 8 1 1 A 21 21 GLN C C 21 179.550 178.296 1.254 1
1 240 . 8 1 1 A 21 21 GLN CA C 21 59.187 58.517 0.670 1
1 241 . 8 1 1 A 21 21 GLN CB C 21 28.512 28.391 0.121 1
1 243 . 8 1 1 A 21 21 GLN N N 21 120.250 117.185 3.065 1
1 245 . 8 1 1 A 22 22 ILE H H 22 8.779 8.099 0.680 1
1 246 . 8 1 1 A 22 22 ILE HA H 22 3.823 3.650 0.173 1
1 256 . 8 1 1 A 22 22 ILE C C 22 176.854 177.808 -0.954 1
1 257 . 8 1 1 A 22 22 ILE CA C 22 61.611 65.543 -3.932 1
1 258 . 8 1 1 A 22 22 ILE CB C 22 36.935 38.082 -1.147 1
1 262 . 8 1 1 A 22 22 ILE N N 22 119.497 121.343 -1.846 1
1 263 . 8 1 1 A 23 23 THR H H 23 7.478 7.683 -0.205 1
1 264 . 8 1 1 A 23 23 THR HA H 23 3.523 3.931 -0.408 1
1 270 . 8 1 1 A 23 23 THR C C 23 176.502 176.745 -0.243 1
1 271 . 8 1 1 A 23 23 THR CA C 23 67.006 66.363 0.643 1
1 272 . 8 1 1 A 23 23 THR CB C 23 67.305 68.351 -1.046 1
1 274 . 8 1 1 A 23 23 THR N N 23 115.702 116.100 -0.398 1
1 275 . 8 1 1 A 24 24 GLY H H 24 8.011 8.522 -0.511 1
1 276 . 8 1 1 A 24 24 GLY HA2 H 24 3.880 3.667 0.213 1
1 277 . 8 1 1 A 24 24 GLY HA3 H 24 3.672 3.673 -0.001 1
1 278 . 8 1 1 A 24 24 GLY C C 24 176.385 175.637 0.748 1
1 279 . 8 1 1 A 24 24 GLY CA C 24 47.163 47.261 -0.098 1
1 280 . 8 1 1 A 24 24 GLY N N 24 110.691 107.978 2.713 1
1 281 . 8 1 1 A 25 25 VAL H H 25 7.898 8.403 -0.505 1
1 282 . 8 1 1 A 25 25 VAL HA H 25 3.473 3.595 -0.122 1
1 290 . 8 1 1 A 25 25 VAL C C 25 178.286 177.427 0.859 1
1 291 . 8 1 1 A 25 25 VAL CA C 25 66.432 65.727 0.705 1
1 292 . 8 1 1 A 25 25 VAL CB C 25 31.925 31.615 0.310 1
1 295 . 8 1 1 A 25 25 VAL N N 25 123.276 121.922 1.354 1
1 296 . 8 1 1 A 26 26 ILE H H 26 7.646 8.038 -0.392 1
1 297 . 8 1 1 A 26 26 ILE HA H 26 2.698 2.484 0.214 1
1 307 . 8 1 1 A 26 26 ILE C C 26 177.440 177.961 -0.521 1
1 308 . 8 1 1 A 26 26 ILE CA C 26 64.163 64.834 -0.671 1
1 309 . 8 1 1 A 26 26 ILE CB C 26 37.876 37.594 0.282 1
1 313 . 8 1 1 A 26 26 ILE N N 26 116.606 119.894 -3.288 1
1 314 . 8 1 1 A 27 27 SER H H 27 7.783 8.097 -0.314 1
1 315 . 8 1 1 A 27 27 SER HA H 27 3.908 4.188 -0.280 1
1 319 . 8 1 1 A 27 27 SER C C 27 175.330 175.428 -0.098 1
1 320 . 8 1 1 A 27 27 SER CA C 27 61.465 60.989 0.476 1
1 321 . 8 1 1 A 27 27 SER CB C 27 63.388 62.834 0.554 1
1 322 . 8 1 1 A 27 27 SER N N 27 112.932 115.422 -2.490 1
1 323 . 8 1 1 A 28 28 LYS H H 28 7.008 7.377 -0.369 1
1 324 . 8 1 1 A 28 28 LYS HA H 28 4.234 4.202 0.032 1
1 333 . 8 1 1 A 28 28 LYS C C 28 177.323 176.989 0.334 1
1 334 . 8 1 1 A 28 28 LYS CA C 28 56.161 56.303 -0.142 1
1 335 . 8 1 1 A 28 28 LYS CB C 28 32.742 32.542 0.200 1
1 339 . 8 1 1 A 28 28 LYS N N 28 118.978 119.190 -0.212 1
1 340 . 8 1 1 A 29 29 PHE H H 29 7.691 7.201 0.490 1
1 341 . 8 1 1 A 29 29 PHE HA H 29 4.576 4.569 0.007 1
1 349 . 8 1 1 A 29 29 PHE C C 29 175.841 176.644 -0.803 1
1 350 . 8 1 1 A 29 29 PHE CA C 29 56.366 58.256 -1.890 1
1 351 . 8 1 1 A 29 29 PHE CB C 29 38.723 40.267 -1.544 1
1 355 . 8 1 1 A 29 29 PHE N N 29 120.755 120.076 0.679 1
1 356 . 8 1 1 A 30 30 ASP H H 30 8.388 8.942 -0.554 1
1 357 . 8 1 1 A 30 30 ASP HA H 30 4.650 4.553 0.097 1
1 360 . 8 1 1 A 30 30 ASP C C 30 175.096 175.615 -0.519 1
1 361 . 8 1 1 A 30 30 ASP CA C 30 53.331 55.030 -1.699 1
1 362 . 8 1 1 A 30 30 ASP CB C 30 38.691 41.260 -2.569 1
1 363 . 8 1 1 A 30 30 ASP N N 30 122.230 119.631 2.599 1
1 364 . 8 1 1 A 31 31 THR H H 31 7.663 7.675 -0.012 1
1 365 . 8 1 1 A 31 31 THR HA H 31 4.558 4.387 0.171 1
1 370 . 8 1 1 A 31 31 THR C C 31 173.297 173.476 -0.179 1
1 371 . 8 1 1 A 31 31 THR CA C 31 59.333 61.509 -2.176 1
1 372 . 8 1 1 A 31 31 THR CB C 31 70.319 70.445 -0.126 1
1 374 . 8 1 1 A 31 31 THR N N 31 112.538 115.701 -3.163 1
1 375 . 8 1 1 A 32 32 ASN H H 32 8.308 8.643 -0.335 1
1 376 . 8 1 1 A 32 32 ASN HA H 32 4.910 5.055 -0.145 1
1 381 . 8 1 1 A 32 32 ASN C C 32 175.447 174.930 0.517 1
1 382 . 8 1 1 A 32 32 ASN CA C 32 52.732 52.622 0.110 1
1 383 . 8 1 1 A 32 32 ASN CB C 32 39.337 39.934 -0.597 1
1 384 . 8 1 1 A 32 32 ASN N N 32 121.973 124.024 -2.051 1
1 386 . 8 1 1 A 33 33 ILE H H 33 8.320 8.911 -0.591 1
1 387 . 8 1 1 A 33 33 ILE HA H 33 3.846 4.124 -0.278 1
1 397 . 8 1 1 A 33 33 ILE C C 33 175.230 175.727 -0.497 1
1 398 . 8 1 1 A 33 33 ILE CA C 33 63.300 61.728 1.572 1
1 399 . 8 1 1 A 33 33 ILE CB C 33 39.167 36.844 2.323 1
1 403 . 8 1 1 A 33 33 ILE N N 33 125.984 126.892 -0.908 1
1 404 . 8 1 1 A 34 34 ARG H H 34 8.858 8.826 0.032 1
1 405 . 8 1 1 A 34 34 ARG HA H 34 4.538 4.468 0.070 1
1 413 . 8 1 1 A 34 34 ARG C C 34 175.565 176.539 -0.974 1
1 414 . 8 1 1 A 34 34 ARG CA C 34 54.900 57.625 -2.725 1
1 415 . 8 1 1 A 34 34 ARG CB C 34 30.275 31.035 -0.760 1
1 418 . 8 1 1 A 34 34 ARG N N 34 126.537 128.646 -2.109 1
1 420 . 8 1 1 A 35 35 THR H H 35 7.698 7.485 0.213 1
1 421 . 8 1 1 A 35 35 THR HA H 35 5.311 4.957 0.354 1
1 426 . 8 1 1 A 35 35 THR C C 35 173.807 172.171 1.636 1
1 427 . 8 1 1 A 35 35 THR CA C 35 61.040 61.163 -0.123 1
1 428 . 8 1 1 A 35 35 THR CB C 35 74.055 72.497 1.558 1
1 430 . 8 1 1 A 35 35 THR N N 35 111.895 111.719 0.176 1
1 431 . 8 1 1 A 36 36 ILE H H 36 8.907 9.127 -0.220 1
1 432 . 8 1 1 A 36 36 ILE HA H 36 4.753 5.167 -0.414 1
1 442 . 8 1 1 A 36 36 ILE C C 36 174.275 173.770 0.505 1
1 443 . 8 1 1 A 36 36 ILE CA C 36 61.400 59.721 1.679 1
1 444 . 8 1 1 A 36 36 ILE CB C 36 42.569 41.580 0.989 1
1 448 . 8 1 1 A 36 36 ILE N N 36 123.257 127.649 -4.392 1
1 449 . 8 1 1 A 37 37 VAL H H 37 8.933 8.875 0.058 1
1 450 . 8 1 1 A 37 37 VAL HA H 37 4.903 4.967 -0.064 1
1 458 . 8 1 1 A 37 37 VAL C C 37 174.684 174.705 -0.021 1
1 459 . 8 1 1 A 37 37 VAL CA C 37 62.100 60.863 1.237 1
1 460 . 8 1 1 A 37 37 VAL CB C 37 34.186 35.146 -0.960 1
1 463 . 8 1 1 A 37 37 VAL N N 37 126.323 128.651 -2.328 1
1 464 . 8 1 1 A 38 38 LEU H H 38 9.751 8.725 1.026 1
1 465 . 8 1 1 A 38 38 LEU HA H 38 5.636 5.158 0.478 1
1 475 . 8 1 1 A 38 38 LEU C C 38 174.510 174.527 -0.017 1
1 476 . 8 1 1 A 38 38 LEU CA C 38 53.810 54.309 -0.499 1
1 477 . 8 1 1 A 38 38 LEU CB C 38 45.655 46.459 -0.804 1
1 481 . 8 1 1 A 38 38 LEU N N 38 133.332 127.047 6.285 1
1 482 . 8 1 1 A 39 39 ASN H H 39 8.952 9.061 -0.109 1
1 483 . 8 1 1 A 39 39 ASN HA H 39 5.450 5.491 -0.041 1
1 488 . 8 1 1 A 39 39 ASN C C 39 172.869 173.423 -0.554 1
1 489 . 8 1 1 A 39 39 ASN CA C 39 53.137 51.704 1.433 1
1 490 . 8 1 1 A 39 39 ASN CB C 39 43.287 42.314 0.973 1
1 491 . 8 1 1 A 39 39 ASN N N 39 123.262 122.955 0.307 1
1 493 . 8 1 1 A 40 40 ALA H H 40 8.467 8.886 -0.419 1
1 494 . 8 1 1 A 40 40 ALA HA H 40 5.345 5.468 -0.123 1
1 498 . 8 1 1 A 40 40 ALA C C 40 175.447 176.650 -1.203 1
1 499 . 8 1 1 A 40 40 ALA CA C 40 51.370 50.876 0.494 1
1 500 . 8 1 1 A 40 40 ALA CB C 40 20.975 20.186 0.789 1
1 501 . 8 1 1 A 40 40 ALA N N 40 127.058 126.146 0.912 1
1 502 . 8 1 1 A 41 41 LYS H H 41 8.865 8.609 0.256 1
1 503 . 8 1 1 A 41 41 LYS HA H 41 4.435 4.870 -0.435 1
1 512 . 8 1 1 A 41 41 LYS C C 41 175.565 175.140 0.425 1
1 513 . 8 1 1 A 41 41 LYS CA C 41 56.736 54.623 2.113 1
1 514 . 8 1 1 A 41 41 LYS CB C 41 34.811 35.387 -0.576 1
1 518 . 8 1 1 A 41 41 LYS N N 41 121.996 121.653 0.343 1
1 519 . 8 1 1 A 42 42 ASP H H 42 9.197 9.429 -0.232 1
1 520 . 8 1 1 A 42 42 ASP HA H 42 4.373 4.360 0.013 1
1 523 . 8 1 1 A 42 42 ASP C C 42 175.447 176.117 -0.670 1
1 524 . 8 1 1 A 42 42 ASP CA C 42 55.547 55.362 0.185 1
1 525 . 8 1 1 A 42 42 ASP CB C 42 39.485 39.256 0.229 1
1 526 . 8 1 1 A 42 42 ASP N N 42 122.213 120.648 1.565 1
1 527 . 8 1 1 A 43 43 GLY H H 43 9.306 8.438 0.868 1
1 528 . 8 1 1 A 43 43 GLY HA2 H 43 4.443 3.906 0.537 1
1 529 . 8 1 1 A 43 43 GLY HA3 H 43 3.816 3.913 -0.097 1
1 530 . 8 1 1 A 43 43 GLY C C 43 174.979 173.926 1.053 1
1 531 . 8 1 1 A 43 43 GLY CA C 43 45.661 45.303 0.358 1
1 532 . 8 1 1 A 43 43 GLY N N 43 104.610 104.849 -0.239 1
1 533 . 8 1 1 A 44 44 ILE H H 44 8.117 8.010 0.107 1
1 534 . 8 1 1 A 44 44 ILE HA H 44 5.112 4.776 0.336 1
1 544 . 8 1 1 A 44 44 ILE C C 44 175.213 174.899 0.314 1
1 545 . 8 1 1 A 44 44 ILE CA C 44 59.040 59.334 -0.294 1
1 546 . 8 1 1 A 44 44 ILE CB C 44 42.013 40.992 1.021 1
1 550 . 8 1 1 A 44 44 ILE N N 44 122.284 122.321 -0.037 1
1 551 . 8 1 1 A 45 45 PHE H H 45 8.955 8.584 0.371 1
1 552 . 8 1 1 A 45 45 PHE HA H 45 5.740 6.253 -0.513 1
1 560 . 8 1 1 A 45 45 PHE C C 45 172.283 173.505 -1.222 1
1 561 . 8 1 1 A 45 45 PHE CA C 45 55.872 54.913 0.959 1
1 562 . 8 1 1 A 45 45 PHE CB C 45 42.740 42.487 0.253 1
1 566 . 8 1 1 A 45 45 PHE N N 45 121.747 121.889 -0.142 1
1 567 . 8 1 1 A 46 46 THR H H 46 8.659 9.036 -0.377 1
1 568 . 8 1 1 A 46 46 THR HA H 46 5.111 5.037 0.074 1
1 574 . 8 1 1 A 46 46 THR C C 46 174.041 172.357 1.684 1
1 575 . 8 1 1 A 46 46 THR CA C 46 59.750 59.827 -0.077 1
1 576 . 8 1 1 A 46 46 THR CB C 46 71.380 70.788 0.592 1
1 578 . 8 1 1 A 46 46 THR N N 46 113.420 116.607 -3.187 1
1 579 . 8 1 1 A 47 47 CYS H H 47 9.619 9.591 0.028 1
1 580 . 8 1 1 A 47 47 CYS HA H 47 5.562 5.604 -0.042 1
1 584 . 8 1 1 A 47 47 CYS C C 47 172.283 173.146 -0.863 1
1 585 . 8 1 1 A 47 47 CYS CA C 47 56.776 57.368 -0.592 1
1 586 . 8 1 1 A 47 47 CYS CB C 47 29.112 29.417 -0.305 1
1 587 . 8 1 1 A 47 47 CYS N N 47 124.781 129.896 -5.115 1
1 588 . 8 1 1 A 48 48 ASN H H 48 9.293 9.510 -0.217 1
1 589 . 8 1 1 A 48 48 ASN HA H 48 5.629 5.245 0.384 1
1 594 . 8 1 1 A 48 48 ASN C C 48 173.455 173.599 -0.144 1
1 595 . 8 1 1 A 48 48 ASN CA C 48 51.962 52.437 -0.475 1
1 596 . 8 1 1 A 48 48 ASN CB C 48 40.059 39.278 0.781 1
1 597 . 8 1 1 A 48 48 ASN N N 48 129.520 125.917 3.603 1
1 599 . 8 1 1 A 49 49 LEU H H 49 9.435 9.235 0.200 1
1 600 . 8 1 1 A 49 49 LEU HA H 49 5.158 4.962 0.196 1
1 610 . 8 1 1 A 49 49 LEU C C 49 174.510 174.583 -0.073 1
1 611 . 8 1 1 A 49 49 LEU CA C 49 53.178 53.671 -0.493 1
1 612 . 8 1 1 A 49 49 LEU CB C 49 46.402 44.362 2.040 1
1 616 . 8 1 1 A 49 49 LEU N N 49 125.541 127.313 -1.772 1
1 617 . 8 1 1 A 50 50 MET H H 50 8.978 9.057 -0.079 1
1 618 . 8 1 1 A 50 50 MET HA H 50 5.723 5.462 0.261 1
1 626 . 8 1 1 A 50 50 MET C C 50 175.682 174.914 0.768 1
1 627 . 8 1 1 A 50 50 MET CA C 50 54.073 54.316 -0.243 1
1 628 . 8 1 1 A 50 50 MET CB C 50 33.643 35.262 -1.619 1
1 631 . 8 1 1 A 50 50 MET N N 50 123.131 125.321 -2.190 1
1 632 . 8 1 1 A 51 51 ILE H H 51 9.056 8.863 0.193 1
1 633 . 8 1 1 A 51 51 ILE HA H 51 5.044 5.016 0.028 1
1 643 . 8 1 1 A 51 51 ILE C C 51 173.689 174.044 -0.355 1
1 644 . 8 1 1 A 51 51 ILE CA C 51 58.495 59.023 -0.528 1
1 645 . 8 1 1 A 51 51 ILE CB C 51 41.447 42.211 -0.764 1
1 649 . 8 1 1 A 51 51 ILE N N 51 118.753 118.553 0.200 1
1 650 . 8 1 1 A 52 52 PHE H H 52 8.324 8.961 -0.637 1
1 651 . 8 1 1 A 52 52 PHE HA H 52 5.345 5.078 0.267 1
1 659 . 8 1 1 A 52 52 PHE C C 52 176.084 175.577 0.507 1
1 660 . 8 1 1 A 52 52 PHE CA C 52 56.478 57.259 -0.781 1
1 661 . 8 1 1 A 52 52 PHE CB C 52 40.520 40.755 -0.235 1
1 665 . 8 1 1 A 52 52 PHE N N 52 120.910 121.912 -1.002 1
1 666 . 8 1 1 A 53 53 VAL H H 53 8.865 8.107 0.758 1
1 667 . 8 1 1 A 53 53 VAL HA H 53 4.663 4.669 -0.006 1
1 675 . 8 1 1 A 53 53 VAL C C 53 174.812 175.541 -0.729 1
1 676 . 8 1 1 A 53 53 VAL CA C 53 58.881 58.941 -0.060 1
1 677 . 8 1 1 A 53 53 VAL CB C 53 35.707 34.878 0.829 1
1 680 . 8 1 1 A 53 53 VAL N N 53 118.244 115.652 2.592 1
1 681 . 8 1 1 A 54 54 LYS H H 54 8.335 8.691 -0.356 1
1 682 . 8 1 1 A 54 54 LYS HA H 54 4.324 4.290 0.034 1
1 691 . 8 1 1 A 54 54 LYS C C 54 176.655 176.164 0.491 1
1 692 . 8 1 1 A 54 54 LYS CA C 54 58.039 57.386 0.653 1
1 693 . 8 1 1 A 54 54 LYS CB C 54 33.974 33.207 0.767 1
1 697 . 8 1 1 A 54 54 LYS N N 54 120.334 120.275 0.059 1
1 698 . 8 1 1 A 55 55 ASN H H 55 7.235 7.519 -0.284 1
1 699 . 8 1 1 A 55 55 ASN HA H 55 4.888 5.329 -0.441 1
1 704 . 8 1 1 A 55 55 ASN C C 55 175.083 175.183 -0.100 1
1 705 . 8 1 1 A 55 55 ASN CA C 55 52.173 51.865 0.308 1
1 706 . 8 1 1 A 55 55 ASN CB C 55 39.333 40.903 -1.570 1
1 707 . 8 1 1 A 55 55 ASN N N 55 108.018 115.212 -7.194 1
1 709 . 8 1 1 A 56 56 THR H H 56 8.865 8.672 0.193 1
1 710 . 8 1 1 A 56 56 THR HA H 56 4.036 4.338 -0.302 1
1 715 . 8 1 1 A 56 56 THR C C 56 178.637 176.647 1.990 1
1 716 . 8 1 1 A 56 56 THR CA C 56 65.800 65.428 0.372 1
1 717 . 8 1 1 A 56 56 THR CB C 56 68.341 68.835 -0.494 1
1 719 . 8 1 1 A 56 56 THR N N 56 113.338 112.316 1.022 1
1 720 . 8 1 1 A 57 57 ASP H H 57 8.384 8.353 0.031 1
1 721 . 8 1 1 A 57 57 ASP HA H 57 4.467 4.465 0.002 1
1 724 . 8 1 1 A 57 57 ASP CA C 57 57.400 57.614 -0.214 1
1 725 . 8 1 1 A 57 57 ASP CB C 57 39.938 41.304 -1.366 1
1 726 . 8 1 1 A 57 57 ASP N N 57 124.402 121.762 2.640 1
1 727 . 8 1 1 A 58 58 LYS H H 58 8.266 8.213 0.053 1
1 728 . 8 1 1 A 58 58 LYS HA H 58 4.172 4.004 0.168 1
1 740 . 8 1 1 A 58 58 LYS C C 58 178.378 178.520 -0.142 1
1 741 . 8 1 1 A 58 58 LYS CA C 58 57.695 58.836 -1.141 1
1 742 . 8 1 1 A 58 58 LYS CB C 58 31.763 32.167 -0.404 1
1 746 . 8 1 1 A 58 58 LYS N N 58 120.194 118.787 1.407 1
1 747 . 8 1 1 A 59 59 LEU H H 59 7.302 7.616 -0.314 1
1 748 . 8 1 1 A 59 59 LEU HA H 59 3.907 3.965 -0.058 1
1 758 . 8 1 1 A 59 59 LEU C C 59 177.909 178.523 -0.614 1
1 759 . 8 1 1 A 59 59 LEU CA C 59 57.979 57.934 0.045 1
1 760 . 8 1 1 A 59 59 LEU CB C 59 41.727 41.791 -0.064 1
1 764 . 8 1 1 A 59 59 LEU N N 59 118.583 120.863 -2.280 1
1 765 . 8 1 1 A 60 60 THR H H 60 8.500 7.924 0.576 1
1 766 . 8 1 1 A 60 60 THR HA H 60 3.845 4.072 -0.227 1
1 771 . 8 1 1 A 60 60 THR C C 60 176.502 177.476 -0.974 1
1 772 . 8 1 1 A 60 60 THR CA C 60 66.691 65.580 1.111 1
1 773 . 8 1 1 A 60 60 THR CB C 60 68.390 68.360 0.030 1
1 775 . 8 1 1 A 60 60 THR N N 60 115.462 111.879 3.583 1
1 776 . 8 1 1 A 61 61 THR H H 61 7.996 7.903 0.093 1
1 777 . 8 1 1 A 61 61 THR HA H 61 4.053 3.962 0.091 1
1 782 . 8 1 1 A 61 61 THR C C 61 176.502 176.612 -0.110 1
1 783 . 8 1 1 A 61 61 THR CA C 61 66.420 67.036 -0.616 1
1 784 . 8 1 1 A 61 61 THR CB C 61 68.549 67.993 0.556 1
1 786 . 8 1 1 A 61 61 THR N N 61 117.698 116.611 1.087 1
1 787 . 8 1 1 A 62 62 LEU H H 62 7.717 8.133 -0.416 1
1 788 . 8 1 1 A 62 62 LEU HA H 62 3.542 3.739 -0.197 1
1 798 . 8 1 1 A 62 62 LEU C C 62 178.612 179.161 -0.549 1
1 799 . 8 1 1 A 62 62 LEU CA C 62 57.988 57.698 0.290 1
1 800 . 8 1 1 A 62 62 LEU CB C 62 40.241 40.955 -0.714 1
1 804 . 8 1 1 A 62 62 LEU N N 62 122.534 120.925 1.609 1
1 805 . 8 1 1 A 63 63 MET H H 63 8.230 7.857 0.373 1
1 806 . 8 1 1 A 63 63 MET HA H 63 3.771 4.074 -0.303 1
1 814 . 8 1 1 A 63 63 MET C C 63 177.674 178.169 -0.495 1
1 815 . 8 1 1 A 63 63 MET CA C 63 60.699 58.981 1.718 1
1 816 . 8 1 1 A 63 63 MET CB C 63 33.024 32.536 0.488 1
1 819 . 8 1 1 A 63 63 MET N N 63 116.719 117.493 -0.774 1
1 820 . 8 1 1 A 64 64 ASP H H 64 8.263 7.847 0.416 1
1 821 . 8 1 1 A 64 64 ASP HA H 64 4.401 4.351 0.050 1
1 824 . 8 1 1 A 64 64 ASP C C 64 178.378 178.419 -0.041 1
1 825 . 8 1 1 A 64 64 ASP CA C 64 57.400 57.124 0.276 1
1 826 . 8 1 1 A 64 64 ASP CB C 64 40.703 41.806 -1.103 1
1 827 . 8 1 1 A 64 64 ASP N N 64 118.611 120.658 -2.047 1
1 828 . 8 1 1 A 65 65 LYS H H 65 7.755 7.539 0.216 1
1 829 . 8 1 1 A 65 65 LYS HA H 65 3.970 4.084 -0.114 1
1 838 . 8 1 1 A 65 65 LYS C C 65 179.922 179.423 0.499 1
1 839 . 8 1 1 A 65 65 LYS CA C 65 59.466 59.545 -0.079 1
1 840 . 8 1 1 A 65 65 LYS CB C 65 32.372 32.698 -0.326 1
1 844 . 8 1 1 A 65 65 LYS N N 65 118.452 118.655 -0.203 1
1 845 . 8 1 1 A 66 66 LEU H H 66 7.768 8.162 -0.394 1
1 846 . 8 1 1 A 66 66 LEU HA H 66 4.066 4.171 -0.105 1
1 856 . 8 1 1 A 66 66 LEU C C 66 177.557 179.410 -1.853 1
1 857 . 8 1 1 A 66 66 LEU CA C 66 57.550 56.903 0.647 1
1 858 . 8 1 1 A 66 66 LEU CB C 66 43.218 41.731 1.487 1
1 862 . 8 1 1 A 66 66 LEU N N 66 118.471 119.816 -1.345 1
1 863 . 8 1 1 A 67 67 ARG H H 67 8.017 8.301 -0.284 1
1 864 . 8 1 1 A 67 67 ARG HA H 67 3.855 4.249 -0.394 1
1 872 . 8 1 1 A 67 67 ARG C C 67 177.440 177.703 -0.263 1
1 873 . 8 1 1 A 67 67 ARG CA C 67 58.584 58.251 0.333 1
1 874 . 8 1 1 A 67 67 ARG CB C 67 30.313 29.843 0.470 1
1 877 . 8 1 1 A 67 67 ARG N N 67 115.702 119.646 -3.944 1
1 879 . 8 1 1 A 68 68 LYS H H 68 7.168 7.790 -0.622 1
1 880 . 8 1 1 A 68 68 LYS HA H 68 4.198 4.345 -0.147 1
1 889 . 8 1 1 A 68 68 LYS C C 68 176.502 176.694 -0.192 1
1 890 . 8 1 1 A 68 68 LYS CA C 68 56.149 57.241 -1.092 1
1 891 . 8 1 1 A 68 68 LYS CB C 68 32.725 32.381 0.344 1
1 895 . 8 1 1 A 68 68 LYS N N 68 115.213 117.382 -2.169 1
1 896 . 8 1 1 A 69 69 VAL H H 69 7.348 7.312 0.036 1
1 897 . 8 1 1 A 69 69 VAL HA H 69 3.776 4.229 -0.453 1
1 905 . 8 1 1 A 69 69 VAL C C 69 175.916 177.491 -1.575 1
1 906 . 8 1 1 A 69 69 VAL CA C 69 63.134 62.841 0.293 1
1 907 . 8 1 1 A 69 69 VAL CB C 69 31.075 31.901 -0.826 1
1 910 . 8 1 1 A 69 69 VAL N N 69 123.611 120.436 3.175 1
1 911 . 8 1 1 A 70 70 GLN H H 70 8.632 8.706 -0.074 1
1 912 . 8 1 1 A 70 70 GLN HA H 70 4.072 4.148 -0.076 1
1 919 . 8 1 1 A 70 70 GLN C C 70 176.151 177.377 -1.226 1
1 920 . 8 1 1 A 70 70 GLN CA C 70 57.800 58.166 -0.366 1
1 921 . 8 1 1 A 70 70 GLN CB C 70 28.100 28.238 -0.138 1
1 923 . 8 1 1 A 70 70 GLN N N 70 130.070 126.545 3.525 1
1 925 . 8 1 1 A 71 71 GLY H H 71 8.783 8.247 0.536 1
1 926 . 8 1 1 A 71 71 GLY HA2 H 71 4.598 4.047 0.551 1
1 927 . 8 1 1 A 71 71 GLY HA3 H 71 3.677 4.059 -0.382 1
1 928 . 8 1 1 A 71 71 GLY C C 71 173.924 174.226 -0.302 1
1 929 . 8 1 1 A 71 71 GLY CA C 71 44.941 45.430 -0.489 1
1 930 . 8 1 1 A 71 71 GLY N N 71 113.801 107.972 5.829 1
1 931 . 8 1 1 A 72 72 VAL H H 72 7.805 7.587 0.218 1
1 932 . 8 1 1 A 72 72 VAL HA H 72 3.723 3.824 -0.101 1
1 940 . 8 1 1 A 72 72 VAL C C 72 176.502 176.271 0.231 1
1 941 . 8 1 1 A 72 72 VAL CA C 72 64.020 62.087 1.933 1
1 942 . 8 1 1 A 72 72 VAL CB C 72 32.003 32.755 -0.752 1
1 945 . 8 1 1 A 72 72 VAL N N 72 120.334 120.167 0.167 1
1 946 . 8 1 1 A 73 73 PHE H H 73 9.522 7.780 1.742 1
1 947 . 8 1 1 A 73 73 PHE HA H 73 5.109 4.956 0.153 1
1 955 . 8 1 1 A 73 73 PHE C C 73 176.502 174.436 2.066 1
1 956 . 8 1 1 A 73 73 PHE CA C 73 56.354 56.537 -0.183 1
1 957 . 8 1 1 A 73 73 PHE CB C 73 39.615 40.946 -1.331 1
1 961 . 8 1 1 A 73 73 PHE N N 73 127.542 121.110 6.432 1
1 962 . 8 1 1 A 74 74 THR H H 74 7.972 7.413 0.559 1
1 963 . 8 1 1 A 74 74 THR HA H 74 4.736 4.934 -0.198 1
1 968 . 8 1 1 A 74 74 THR C C 74 172.400 173.435 -1.035 1
1 969 . 8 1 1 A 74 74 THR CA C 74 60.604 60.556 0.048 1
1 970 . 8 1 1 A 74 74 THR CB C 74 72.576 71.315 1.261 1
1 972 . 8 1 1 A 74 74 THR N N 74 111.809 110.788 1.021 1
1 973 . 8 1 1 A 75 75 VAL H H 75 8.584 8.888 -0.304 1
1 974 . 8 1 1 A 75 75 VAL HA H 75 4.878 4.961 -0.083 1
1 982 . 8 1 1 A 75 75 VAL C C 75 174.510 174.751 -0.241 1
1 983 . 8 1 1 A 75 75 VAL CA C 75 61.844 61.587 0.257 1
1 984 . 8 1 1 A 75 75 VAL CB C 75 34.500 34.200 0.300 1
1 987 . 8 1 1 A 75 75 VAL N N 75 122.820 125.072 -2.252 1
1 988 . 8 1 1 A 76 76 GLU H H 76 9.029 9.021 0.008 1
1 989 . 8 1 1 A 76 76 GLU HA H 76 4.861 5.021 -0.160 1
1 994 . 8 1 1 A 76 76 GLU C C 76 174.510 174.482 0.028 1
1 995 . 8 1 1 A 76 76 GLU CA C 76 53.757 54.185 -0.428 1
1 996 . 8 1 1 A 76 76 GLU CB C 76 34.230 33.080 1.150 1
1 998 . 8 1 1 A 76 76 GLU N N 76 124.572 124.151 0.421 1
1 999 . 8 1 1 A 77 77 ARG H H 77 8.962 8.569 0.393 1
1 1000 . 8 1 1 A 77 77 ARG HA H 77 4.736 4.674 0.062 1
1 1008 . 8 1 1 A 77 77 ARG C C 77 176.502 175.247 1.255 1
1 1009 . 8 1 1 A 77 77 ARG CA C 77 55.521 55.846 -0.325 1
1 1010 . 8 1 1 A 77 77 ARG CB C 77 30.893 31.424 -0.531 1
1 1013 . 8 1 1 A 77 77 ARG N N 77 122.875 122.514 0.361 1
1 1015 . 8 1 1 A 78 78 LEU H H 78 8.252 9.141 -0.889 1
1 1016 . 8 1 1 A 78 78 LEU HA H 78 4.505 4.773 -0.268 1
1 1026 . 8 1 1 A 78 78 LEU C C 78 176.737 176.632 0.105 1
1 1027 . 8 1 1 A 78 78 LEU CA C 78 53.875 53.713 0.162 1
1 1028 . 8 1 1 A 78 78 LEU CB C 78 43.228 42.448 0.780 1
1 1032 . 8 1 1 A 78 78 LEU N N 78 127.062 127.067 -0.005 1
1 1033 . 8 1 1 A 79 79 SER H H 79 8.635 8.927 -0.292 1
1 1034 . 8 1 1 A 79 79 SER HA H 79 4.492 4.489 0.003 1
1 1037 . 8 1 1 A 79 79 SER C C 79 174.041 174.363 -0.322 1
1 1038 . 8 1 1 A 79 79 SER CA C 79 58.465 59.187 -0.722 1
1 1039 . 8 1 1 A 79 79 SER CB C 79 63.993 64.244 -0.251 1
1 1040 . 8 1 1 A 79 79 SER N N 79 118.446 120.398 -1.952 1
1 1041 . 8 1 1 A 80 80 ASN H H 80 8.421 7.953 0.468 1
1 1042 . 8 1 1 A 80 80 ASN HA H 80 4.668 4.979 -0.311 1
1 1047 . 8 1 1 A 80 80 ASN C C 80 175.096 174.655 0.441 1
1 1048 . 8 1 1 A 80 80 ASN CA C 80 53.300 51.906 1.394 1
1 1049 . 8 1 1 A 80 80 ASN CB C 80 38.300 39.595 -1.295 1
1 1050 . 8 1 1 A 80 80 ASN N N 80 119.339 114.822 4.517 1
1 1052 . 8 1 1 A 81 81 LEU H H 81 8.256 9.058 -0.802 1
1 1053 . 8 1 1 A 81 81 LEU HA H 81 4.258 5.157 -0.899 1
1 1063 . 8 1 1 A 81 81 LEU C C 81 177.323 176.977 0.346 1
1 1064 . 8 1 1 A 81 81 LEU CA C 81 55.263 53.378 1.885 1
1 1065 . 8 1 1 A 81 81 LEU CB C 81 41.756 44.886 -3.130 1
1 1069 . 8 1 1 A 81 81 LEU N N 81 121.238 126.255 -5.017 1
1 1070 . 8 1 1 A 82 82 GLU H H 82 8.282 8.655 -0.373 1
1 1071 . 8 1 1 A 82 82 GLU HA H 82 4.169 4.778 -0.609 1
1 1076 . 8 1 1 A 82 82 GLU C C 82 176.385 176.355 0.030 1
1 1077 . 8 1 1 A 82 82 GLU CA C 82 56.762 55.497 1.265 1
1 1078 . 8 1 1 A 82 82 GLU CB C 82 29.997 29.102 0.895 1
1 1080 . 8 1 1 A 82 82 GLU N N 82 120.037 119.633 0.404 1
1 1081 . 8 1 1 A 83 83 HIS H H 83 8.195 8.012 0.183 1
1 1082 . 8 1 1 A 83 83 HIS HA H 83 4.535 4.698 -0.163 1
1 1087 . 8 1 1 A 83 83 HIS C C 83 175.081 176.451 -1.370 1
1 1088 . 8 1 1 A 83 83 HIS CA C 83 55.951 57.333 -1.382 1
1 1089 . 8 1 1 A 83 83 HIS CB C 83 30.366 31.459 -1.093 1
1 1 . 9 1 1 A 2 2 THR HA H 2 3.782 4.619 -0.837 1
1 6 . 9 1 1 A 2 2 THR C C 2 171.502 173.812 -2.310 1
1 7 . 9 1 1 A 2 2 THR CA C 2 61.906 61.150 0.756 1
1 8 . 9 1 1 A 2 2 THR CB C 2 69.449 68.229 1.220 1
1 10 . 9 1 1 A 3 3 ASP H H 3 8.636 7.722 0.914 1
1 11 . 9 1 1 A 3 3 ASP HA H 3 4.803 5.108 -0.305 1
1 14 . 9 1 1 A 3 3 ASP C C 3 175.330 176.384 -1.054 1
1 15 . 9 1 1 A 3 3 ASP CA C 3 54.454 54.862 -0.408 1
1 16 . 9 1 1 A 3 3 ASP CB C 3 41.426 41.217 0.209 1
1 17 . 9 1 1 A 3 3 ASP N N 3 125.850 121.582 4.268 1
1 18 . 9 1 1 A 4 4 PHE H H 4 8.608 8.858 -0.250 1
1 19 . 9 1 1 A 4 4 PHE HA H 4 5.042 5.437 -0.395 1
1 27 . 9 1 1 A 4 4 PHE C C 4 172.986 172.544 0.442 1
1 28 . 9 1 1 A 4 4 PHE CA C 4 55.505 55.461 0.044 1
1 29 . 9 1 1 A 4 4 PHE CB C 4 41.288 41.995 -0.707 1
1 33 . 9 1 1 A 4 4 PHE N N 4 117.566 117.392 0.174 1
1 34 . 9 1 1 A 5 5 LEU H H 5 8.498 8.468 0.030 1
1 35 . 9 1 1 A 5 5 LEU HA H 5 4.532 3.759 0.773 1
1 45 . 9 1 1 A 5 5 LEU C C 5 175.330 174.814 0.516 1
1 46 . 9 1 1 A 5 5 LEU CA C 5 54.222 53.735 0.487 1
1 47 . 9 1 1 A 5 5 LEU CB C 5 42.932 42.365 0.567 1
1 51 . 9 1 1 A 5 5 LEU N N 5 123.329 122.662 0.667 1
1 52 . 9 1 1 A 6 6 ALA H H 6 9.325 8.687 0.638 1
1 53 . 9 1 1 A 6 6 ALA HA H 6 4.769 5.142 -0.373 1
1 57 . 9 1 1 A 6 6 ALA C C 6 174.744 177.337 -2.593 1
1 58 . 9 1 1 A 6 6 ALA CA C 6 50.500 50.969 -0.469 1
1 59 . 9 1 1 A 6 6 ALA CB C 6 23.746 20.705 3.041 1
1 60 . 9 1 1 A 6 6 ALA N N 6 129.530 130.367 -0.837 1
1 61 . 9 1 1 A 7 7 GLY H H 7 8.639 8.639 0.000 1
1 62 . 9 1 1 A 7 7 GLY HA2 H 7 5.721 4.302 1.419 1
1 63 . 9 1 1 A 7 7 GLY HA3 H 7 3.508 4.309 -0.801 1
1 64 . 9 1 1 A 7 7 GLY C C 7 173.221 171.623 1.598 1
1 65 . 9 1 1 A 7 7 GLY CA C 7 45.351 44.044 1.307 1
1 66 . 9 1 1 A 7 7 GLY N N 7 106.888 106.770 0.118 1
1 67 . 9 1 1 A 8 8 ILE H H 8 9.356 9.157 0.199 1
1 68 . 9 1 1 A 8 8 ILE HA H 8 4.957 4.970 -0.013 1
1 78 . 9 1 1 A 8 8 ILE C C 8 172.986 173.959 -0.973 1
1 79 . 9 1 1 A 8 8 ILE CA C 8 59.551 59.970 -0.419 1
1 80 . 9 1 1 A 8 8 ILE CB C 8 43.405 41.647 1.758 1
1 84 . 9 1 1 A 8 8 ILE N N 8 122.820 123.590 -0.770 1
1 85 . 9 1 1 A 9 9 ARG H H 9 9.364 9.298 0.066 1
1 86 . 9 1 1 A 9 9 ARG HA H 9 5.609 5.004 0.605 1
1 94 . 9 1 1 A 9 9 ARG C C 9 175.096 174.925 0.171 1
1 95 . 9 1 1 A 9 9 ARG CA C 9 54.192 54.679 -0.487 1
1 96 . 9 1 1 A 9 9 ARG CB C 9 33.400 32.898 0.502 1
1 99 . 9 1 1 A 9 9 ARG N N 9 126.323 127.884 -1.561 1
1 101 . 9 1 1 A 10 10 ILE H H 10 9.479 9.253 0.226 1
1 102 . 9 1 1 A 10 10 ILE HA H 10 5.089 5.181 -0.092 1
1 112 . 9 1 1 A 10 10 ILE C C 10 174.275 175.079 -0.804 1
1 113 . 9 1 1 A 10 10 ILE CA C 10 60.127 59.911 0.216 1
1 114 . 9 1 1 A 10 10 ILE CB C 10 42.651 40.878 1.773 1
1 118 . 9 1 1 A 10 10 ILE N N 10 128.583 127.472 1.111 1
1 119 . 9 1 1 A 11 11 VAL H H 11 8.581 8.651 -0.070 1
1 120 . 9 1 1 A 11 11 VAL HA H 11 4.793 4.774 0.019 1
1 128 . 9 1 1 A 11 11 VAL C C 11 175.827 174.249 1.578 1
1 129 . 9 1 1 A 11 11 VAL CA C 11 60.201 60.340 -0.139 1
1 130 . 9 1 1 A 11 11 VAL CB C 11 34.522 34.429 0.093 1
1 133 . 9 1 1 A 11 11 VAL N N 11 126.323 127.373 -1.050 1
1 134 . 9 1 1 A 12 12 GLY H H 12 7.713 7.411 0.302 1
1 135 . 9 1 1 A 12 12 GLY HA2 H 12 3.434 3.211 0.223 1
1 136 . 9 1 1 A 12 12 GLY HA3 H 12 3.563 3.778 -0.215 1
1 137 . 9 1 1 A 12 12 GLY C C 12 170.332 173.211 -2.879 1
1 138 . 9 1 1 A 12 12 GLY CA C 12 45.842 43.502 2.340 1
1 139 . 9 1 1 A 12 12 GLY N N 12 113.216 114.020 -0.804 1
1 140 . 9 1 1 A 13 13 GLU H H 13 8.180 8.423 -0.243 1
1 141 . 9 1 1 A 13 13 GLU HA H 13 4.387 4.348 0.039 1
1 146 . 9 1 1 A 13 13 GLU C C 13 175.409 175.703 -0.294 1
1 147 . 9 1 1 A 13 13 GLU CA C 13 55.865 56.805 -0.940 1
1 148 . 9 1 1 A 13 13 GLU CB C 13 31.102 30.084 1.018 1
1 150 . 9 1 1 A 13 13 GLU N N 13 119.035 118.664 0.371 1
1 151 . 9 1 1 A 14 14 ASP H H 14 8.095 8.728 -0.633 1
1 152 . 9 1 1 A 14 14 ASP HA H 14 4.888 5.132 -0.244 1
1 155 . 9 1 1 A 14 14 ASP C C 14 174.991 175.178 -0.187 1
1 156 . 9 1 1 A 14 14 ASP CA C 14 52.473 54.085 -1.612 1
1 157 . 9 1 1 A 14 14 ASP CB C 14 40.364 41.460 -1.096 1
1 158 . 9 1 1 A 14 14 ASP N N 14 122.877 124.655 -1.778 1
1 159 . 9 1 1 A 15 15 LYS H H 15 7.345 8.633 -1.288 1
1 160 . 9 1 1 A 15 15 LYS HA H 15 4.550 4.770 -0.220 1
1 169 . 9 1 1 A 15 15 LYS C C 15 176.385 177.240 -0.855 1
1 170 . 9 1 1 A 15 15 LYS CA C 15 54.554 54.674 -0.120 1
1 171 . 9 1 1 A 15 15 LYS CB C 15 35.403 35.459 -0.056 1
1 175 . 9 1 1 A 15 15 LYS N N 15 120.221 125.951 -5.730 1
1 176 . 9 1 1 A 16 16 ASN H H 16 9.025 9.051 -0.026 1
1 177 . 9 1 1 A 16 16 ASN HA H 16 4.386 4.429 -0.043 1
1 182 . 9 1 1 A 16 16 ASN C C 16 175.916 176.073 -0.157 1
1 183 . 9 1 1 A 16 16 ASN CA C 16 54.966 55.850 -0.884 1
1 184 . 9 1 1 A 16 16 ASN CB C 16 37.810 37.761 0.049 1
1 185 . 9 1 1 A 16 16 ASN N N 16 119.785 119.892 -0.107 1
1 187 . 9 1 1 A 17 17 GLY H H 17 8.780 8.068 0.712 1
1 188 . 9 1 1 A 17 17 GLY HA2 H 17 4.125 3.985 0.140 1
1 189 . 9 1 1 A 17 17 GLY HA3 H 17 3.970 3.999 -0.029 1
1 190 . 9 1 1 A 17 17 GLY C C 17 176.151 175.538 0.613 1
1 191 . 9 1 1 A 17 17 GLY CA C 17 45.996 45.290 0.706 1
1 192 . 9 1 1 A 17 17 GLY N N 17 110.504 106.737 3.767 1
1 193 . 9 1 1 A 18 18 MET H H 18 7.989 7.814 0.175 1
1 194 . 9 1 1 A 18 18 MET HA H 18 4.359 4.202 0.157 1
1 202 . 9 1 1 A 18 18 MET C C 18 178.589 178.138 0.451 1
1 203 . 9 1 1 A 18 18 MET CA C 18 57.405 58.302 -0.897 1
1 204 . 9 1 1 A 18 18 MET CB C 18 31.847 33.608 -1.761 1
1 207 . 9 1 1 A 18 18 MET N N 18 121.860 119.725 2.135 1
1 208 . 9 1 1 A 19 19 THR H H 19 8.807 8.241 0.566 1
1 209 . 9 1 1 A 19 19 THR HA H 19 3.233 3.441 -0.208 1
1 215 . 9 1 1 A 19 19 THR C C 19 177.909 177.041 0.868 1
1 216 . 9 1 1 A 19 19 THR CA C 19 65.516 65.681 -0.165 1
1 217 . 9 1 1 A 19 19 THR CB C 19 67.000 68.129 -1.129 1
1 219 . 9 1 1 A 19 19 THR N N 19 111.351 112.253 -0.902 1
1 220 . 9 1 1 A 20 20 ASN H H 20 7.936 7.979 -0.043 1
1 221 . 9 1 1 A 20 20 ASN HA H 20 4.083 4.439 -0.356 1
1 226 . 9 1 1 A 20 20 ASN C C 20 176.854 177.621 -0.767 1
1 227 . 9 1 1 A 20 20 ASN CA C 20 57.669 55.799 1.870 1
1 228 . 9 1 1 A 20 20 ASN CB C 20 36.625 38.286 -1.661 1
1 229 . 9 1 1 A 20 20 ASN N N 20 121.577 120.733 0.844 1
1 231 . 9 1 1 A 21 21 GLN H H 21 8.433 8.122 0.311 1
1 232 . 9 1 1 A 21 21 GLN HA H 21 4.046 4.035 0.011 1
1 239 . 9 1 1 A 21 21 GLN C C 21 179.550 178.352 1.198 1
1 240 . 9 1 1 A 21 21 GLN CA C 21 59.187 58.627 0.560 1
1 241 . 9 1 1 A 21 21 GLN CB C 21 28.512 27.613 0.899 1
1 243 . 9 1 1 A 21 21 GLN N N 21 120.250 117.656 2.594 1
1 245 . 9 1 1 A 22 22 ILE H H 22 8.779 8.047 0.732 1
1 246 . 9 1 1 A 22 22 ILE HA H 22 3.823 3.636 0.187 1
1 256 . 9 1 1 A 22 22 ILE C C 22 176.854 177.740 -0.886 1
1 257 . 9 1 1 A 22 22 ILE CA C 22 61.611 65.410 -3.799 1
1 258 . 9 1 1 A 22 22 ILE CB C 22 36.935 37.906 -0.971 1
1 262 . 9 1 1 A 22 22 ILE N N 22 119.497 121.122 -1.625 1
1 263 . 9 1 1 A 23 23 THR H H 23 7.478 8.025 -0.547 1
1 264 . 9 1 1 A 23 23 THR HA H 23 3.523 3.920 -0.397 1
1 270 . 9 1 1 A 23 23 THR C C 23 176.502 176.567 -0.065 1
1 271 . 9 1 1 A 23 23 THR CA C 23 67.006 66.347 0.659 1
1 272 . 9 1 1 A 23 23 THR CB C 23 67.305 68.386 -1.081 1
1 274 . 9 1 1 A 23 23 THR N N 23 115.702 116.067 -0.365 1
1 275 . 9 1 1 A 24 24 GLY H H 24 8.011 8.049 -0.038 1
1 276 . 9 1 1 A 24 24 GLY HA2 H 24 3.880 3.649 0.231 1
1 277 . 9 1 1 A 24 24 GLY HA3 H 24 3.672 3.655 0.017 1
1 278 . 9 1 1 A 24 24 GLY C C 24 176.385 175.522 0.863 1
1 279 . 9 1 1 A 24 24 GLY CA C 24 47.163 47.385 -0.222 1
1 280 . 9 1 1 A 24 24 GLY N N 24 110.691 107.987 2.704 1
1 281 . 9 1 1 A 25 25 VAL H H 25 7.898 8.551 -0.653 1
1 282 . 9 1 1 A 25 25 VAL HA H 25 3.473 3.620 -0.147 1
1 290 . 9 1 1 A 25 25 VAL C C 25 178.286 177.355 0.931 1
1 291 . 9 1 1 A 25 25 VAL CA C 25 66.432 65.758 0.674 1
1 292 . 9 1 1 A 25 25 VAL CB C 25 31.925 31.647 0.278 1
1 295 . 9 1 1 A 25 25 VAL N N 25 123.276 122.615 0.661 1
1 296 . 9 1 1 A 26 26 ILE H H 26 7.646 7.895 -0.249 1
1 297 . 9 1 1 A 26 26 ILE HA H 26 2.698 2.399 0.299 1
1 307 . 9 1 1 A 26 26 ILE C C 26 177.440 177.633 -0.193 1
1 308 . 9 1 1 A 26 26 ILE CA C 26 64.163 64.728 -0.565 1
1 309 . 9 1 1 A 26 26 ILE CB C 26 37.876 37.482 0.394 1
1 313 . 9 1 1 A 26 26 ILE N N 26 116.606 120.050 -3.444 1
1 314 . 9 1 1 A 27 27 SER H H 27 7.783 7.654 0.129 1
1 315 . 9 1 1 A 27 27 SER HA H 27 3.908 4.183 -0.275 1
1 319 . 9 1 1 A 27 27 SER C C 27 175.330 175.256 0.074 1
1 320 . 9 1 1 A 27 27 SER CA C 27 61.465 61.898 -0.433 1
1 321 . 9 1 1 A 27 27 SER CB C 27 63.388 62.864 0.524 1
1 322 . 9 1 1 A 27 27 SER N N 27 112.932 115.927 -2.995 1
1 323 . 9 1 1 A 28 28 LYS H H 28 7.008 7.319 -0.311 1
1 324 . 9 1 1 A 28 28 LYS HA H 28 4.234 4.242 -0.008 1
1 333 . 9 1 1 A 28 28 LYS C C 28 177.323 176.840 0.483 1
1 334 . 9 1 1 A 28 28 LYS CA C 28 56.161 55.936 0.225 1
1 335 . 9 1 1 A 28 28 LYS CB C 28 32.742 32.700 0.042 1
1 339 . 9 1 1 A 28 28 LYS N N 28 118.978 117.444 1.534 1
1 340 . 9 1 1 A 29 29 PHE H H 29 7.691 6.999 0.692 1
1 341 . 9 1 1 A 29 29 PHE HA H 29 4.576 4.463 0.113 1
1 349 . 9 1 1 A 29 29 PHE C C 29 175.841 176.062 -0.221 1
1 350 . 9 1 1 A 29 29 PHE CA C 29 56.366 58.283 -1.917 1
1 351 . 9 1 1 A 29 29 PHE CB C 29 38.723 40.125 -1.402 1
1 355 . 9 1 1 A 29 29 PHE N N 29 120.755 119.715 1.040 1
1 356 . 9 1 1 A 30 30 ASP H H 30 8.388 8.727 -0.339 1
1 357 . 9 1 1 A 30 30 ASP HA H 30 4.650 4.582 0.068 1
1 360 . 9 1 1 A 30 30 ASP C C 30 175.096 176.672 -1.576 1
1 361 . 9 1 1 A 30 30 ASP CA C 30 53.331 56.661 -3.330 1
1 362 . 9 1 1 A 30 30 ASP CB C 30 38.691 42.075 -3.384 1
1 363 . 9 1 1 A 30 30 ASP N N 30 122.230 121.004 1.226 1
1 364 . 9 1 1 A 31 31 THR H H 31 7.663 7.692 -0.029 1
1 365 . 9 1 1 A 31 31 THR HA H 31 4.558 4.361 0.197 1
1 370 . 9 1 1 A 31 31 THR C C 31 173.297 173.489 -0.192 1
1 371 . 9 1 1 A 31 31 THR CA C 31 59.333 61.987 -2.654 1
1 372 . 9 1 1 A 31 31 THR CB C 31 70.319 70.366 -0.047 1
1 374 . 9 1 1 A 31 31 THR N N 31 112.538 115.211 -2.673 1
1 375 . 9 1 1 A 32 32 ASN H H 32 8.308 8.643 -0.335 1
1 376 . 9 1 1 A 32 32 ASN HA H 32 4.910 5.157 -0.247 1
1 381 . 9 1 1 A 32 32 ASN C C 32 175.447 174.810 0.637 1
1 382 . 9 1 1 A 32 32 ASN CA C 32 52.732 52.111 0.621 1
1 383 . 9 1 1 A 32 32 ASN CB C 32 39.337 40.378 -1.041 1
1 384 . 9 1 1 A 32 32 ASN N N 32 121.973 124.086 -2.113 1
1 386 . 9 1 1 A 33 33 ILE H H 33 8.320 8.933 -0.613 1
1 387 . 9 1 1 A 33 33 ILE HA H 33 3.846 4.106 -0.260 1
1 397 . 9 1 1 A 33 33 ILE C C 33 175.230 176.267 -1.037 1
1 398 . 9 1 1 A 33 33 ILE CA C 33 63.300 62.081 1.219 1
1 399 . 9 1 1 A 33 33 ILE CB C 33 39.167 36.953 2.214 1
1 403 . 9 1 1 A 33 33 ILE N N 33 125.984 126.816 -0.832 1
1 404 . 9 1 1 A 34 34 ARG H H 34 8.858 9.082 -0.224 1
1 405 . 9 1 1 A 34 34 ARG HA H 34 4.538 4.347 0.191 1
1 413 . 9 1 1 A 34 34 ARG C C 34 175.565 175.721 -0.156 1
1 414 . 9 1 1 A 34 34 ARG CA C 34 54.900 57.898 -2.998 1
1 415 . 9 1 1 A 34 34 ARG CB C 34 30.275 31.650 -1.375 1
1 418 . 9 1 1 A 34 34 ARG N N 34 126.537 130.188 -3.651 1
1 420 . 9 1 1 A 35 35 THR H H 35 7.698 7.635 0.063 1
1 421 . 9 1 1 A 35 35 THR HA H 35 5.311 4.991 0.320 1
1 426 . 9 1 1 A 35 35 THR C C 35 173.807 172.124 1.683 1
1 427 . 9 1 1 A 35 35 THR CA C 35 61.040 61.261 -0.221 1
1 428 . 9 1 1 A 35 35 THR CB C 35 74.055 72.542 1.513 1
1 430 . 9 1 1 A 35 35 THR N N 35 111.895 110.250 1.645 1
1 431 . 9 1 1 A 36 36 ILE H H 36 8.907 9.098 -0.191 1
1 432 . 9 1 1 A 36 36 ILE HA H 36 4.753 5.172 -0.419 1
1 442 . 9 1 1 A 36 36 ILE C C 36 174.275 173.158 1.117 1
1 443 . 9 1 1 A 36 36 ILE CA C 36 61.400 59.512 1.888 1
1 444 . 9 1 1 A 36 36 ILE CB C 36 42.569 42.276 0.293 1
1 448 . 9 1 1 A 36 36 ILE N N 36 123.257 127.756 -4.499 1
1 449 . 9 1 1 A 37 37 VAL H H 37 8.933 8.660 0.273 1
1 450 . 9 1 1 A 37 37 VAL HA H 37 4.903 4.837 0.066 1
1 458 . 9 1 1 A 37 37 VAL C C 37 174.684 174.576 0.108 1
1 459 . 9 1 1 A 37 37 VAL CA C 37 62.100 60.586 1.514 1
1 460 . 9 1 1 A 37 37 VAL CB C 37 34.186 35.306 -1.120 1
1 463 . 9 1 1 A 37 37 VAL N N 37 126.323 128.657 -2.334 1
1 464 . 9 1 1 A 38 38 LEU H H 38 9.751 8.724 1.027 1
1 465 . 9 1 1 A 38 38 LEU HA H 38 5.636 5.322 0.314 1
1 475 . 9 1 1 A 38 38 LEU C C 38 174.510 174.724 -0.214 1
1 476 . 9 1 1 A 38 38 LEU CA C 38 53.810 54.381 -0.571 1
1 477 . 9 1 1 A 38 38 LEU CB C 38 45.655 46.139 -0.484 1
1 481 . 9 1 1 A 38 38 LEU N N 38 133.332 127.735 5.597 1
1 482 . 9 1 1 A 39 39 ASN H H 39 8.952 9.055 -0.103 1
1 483 . 9 1 1 A 39 39 ASN HA H 39 5.450 5.498 -0.048 1
1 488 . 9 1 1 A 39 39 ASN C C 39 172.869 173.405 -0.536 1
1 489 . 9 1 1 A 39 39 ASN CA C 39 53.137 51.433 1.704 1
1 490 . 9 1 1 A 39 39 ASN CB C 39 43.287 42.579 0.708 1
1 491 . 9 1 1 A 39 39 ASN N N 39 123.262 123.158 0.104 1
1 493 . 9 1 1 A 40 40 ALA H H 40 8.467 8.932 -0.465 1
1 494 . 9 1 1 A 40 40 ALA HA H 40 5.345 5.728 -0.383 1
1 498 . 9 1 1 A 40 40 ALA C C 40 175.447 176.850 -1.403 1
1 499 . 9 1 1 A 40 40 ALA CA C 40 51.370 50.605 0.765 1
1 500 . 9 1 1 A 40 40 ALA CB C 40 20.975 20.799 0.176 1
1 501 . 9 1 1 A 40 40 ALA N N 40 127.058 124.902 2.156 1
1 502 . 9 1 1 A 41 41 LYS H H 41 8.865 9.049 -0.184 1
1 503 . 9 1 1 A 41 41 LYS HA H 41 4.435 4.894 -0.459 1
1 512 . 9 1 1 A 41 41 LYS C C 41 175.565 174.975 0.590 1
1 513 . 9 1 1 A 41 41 LYS CA C 41 56.736 54.787 1.949 1
1 514 . 9 1 1 A 41 41 LYS CB C 41 34.811 35.840 -1.029 1
1 518 . 9 1 1 A 41 41 LYS N N 41 121.996 120.300 1.696 1
1 519 . 9 1 1 A 42 42 ASP H H 42 9.197 9.378 -0.181 1
1 520 . 9 1 1 A 42 42 ASP HA H 42 4.373 4.358 0.015 1
1 523 . 9 1 1 A 42 42 ASP C C 42 175.447 176.205 -0.758 1
1 524 . 9 1 1 A 42 42 ASP CA C 42 55.547 55.374 0.173 1
1 525 . 9 1 1 A 42 42 ASP CB C 42 39.485 39.250 0.235 1
1 526 . 9 1 1 A 42 42 ASP N N 42 122.213 121.453 0.760 1
1 527 . 9 1 1 A 43 43 GLY H H 43 9.306 8.434 0.872 1
1 528 . 9 1 1 A 43 43 GLY HA2 H 43 4.443 3.958 0.485 1
1 529 . 9 1 1 A 43 43 GLY HA3 H 43 3.816 3.965 -0.149 1
1 530 . 9 1 1 A 43 43 GLY C C 43 174.979 173.699 1.280 1
1 531 . 9 1 1 A 43 43 GLY CA C 43 45.661 45.273 0.388 1
1 532 . 9 1 1 A 43 43 GLY N N 43 104.610 104.772 -0.162 1
1 533 . 9 1 1 A 44 44 ILE H H 44 8.117 8.106 0.011 1
1 534 . 9 1 1 A 44 44 ILE HA H 44 5.112 4.779 0.333 1
1 544 . 9 1 1 A 44 44 ILE C C 44 175.213 174.974 0.239 1
1 545 . 9 1 1 A 44 44 ILE CA C 44 59.040 59.326 -0.286 1
1 546 . 9 1 1 A 44 44 ILE CB C 44 42.013 40.621 1.392 1
1 550 . 9 1 1 A 44 44 ILE N N 44 122.284 122.521 -0.237 1
1 551 . 9 1 1 A 45 45 PHE H H 45 8.955 8.735 0.220 1
1 552 . 9 1 1 A 45 45 PHE HA H 45 5.740 6.090 -0.350 1
1 560 . 9 1 1 A 45 45 PHE C C 45 172.283 173.054 -0.771 1
1 561 . 9 1 1 A 45 45 PHE CA C 45 55.872 54.892 0.980 1
1 562 . 9 1 1 A 45 45 PHE CB C 45 42.740 42.613 0.127 1
1 566 . 9 1 1 A 45 45 PHE N N 45 121.747 120.737 1.010 1
1 567 . 9 1 1 A 46 46 THR H H 46 8.659 9.241 -0.582 1
1 568 . 9 1 1 A 46 46 THR HA H 46 5.111 5.196 -0.085 1
1 574 . 9 1 1 A 46 46 THR C C 46 174.041 171.901 2.140 1
1 575 . 9 1 1 A 46 46 THR CA C 46 59.750 59.819 -0.069 1
1 576 . 9 1 1 A 46 46 THR CB C 46 71.380 71.124 0.256 1
1 578 . 9 1 1 A 46 46 THR N N 46 113.420 116.195 -2.775 1
1 579 . 9 1 1 A 47 47 CYS H H 47 9.619 9.581 0.038 1
1 580 . 9 1 1 A 47 47 CYS HA H 47 5.562 5.834 -0.272 1
1 584 . 9 1 1 A 47 47 CYS C C 47 172.283 173.029 -0.746 1
1 585 . 9 1 1 A 47 47 CYS CA C 47 56.776 57.001 -0.225 1
1 586 . 9 1 1 A 47 47 CYS CB C 47 29.112 31.048 -1.936 1
1 587 . 9 1 1 A 47 47 CYS N N 47 124.781 129.636 -4.855 1
1 588 . 9 1 1 A 48 48 ASN H H 48 9.293 9.389 -0.096 1
1 589 . 9 1 1 A 48 48 ASN HA H 48 5.629 5.560 0.069 1
1 594 . 9 1 1 A 48 48 ASN C C 48 173.455 173.295 0.160 1
1 595 . 9 1 1 A 48 48 ASN CA C 48 51.962 52.247 -0.285 1
1 596 . 9 1 1 A 48 48 ASN CB C 48 40.059 40.023 0.036 1
1 597 . 9 1 1 A 48 48 ASN N N 48 129.520 125.271 4.249 1
1 599 . 9 1 1 A 49 49 LEU H H 49 9.435 9.070 0.365 1
1 600 . 9 1 1 A 49 49 LEU HA H 49 5.158 5.019 0.139 1
1 610 . 9 1 1 A 49 49 LEU C C 49 174.510 174.709 -0.199 1
1 611 . 9 1 1 A 49 49 LEU CA C 49 53.178 53.856 -0.678 1
1 612 . 9 1 1 A 49 49 LEU CB C 49 46.402 44.169 2.233 1
1 616 . 9 1 1 A 49 49 LEU N N 49 125.541 127.089 -1.548 1
1 617 . 9 1 1 A 50 50 MET H H 50 8.978 9.214 -0.236 1
1 618 . 9 1 1 A 50 50 MET HA H 50 5.723 5.488 0.235 1
1 626 . 9 1 1 A 50 50 MET C C 50 175.682 174.968 0.714 1
1 627 . 9 1 1 A 50 50 MET CA C 50 54.073 54.029 0.044 1
1 628 . 9 1 1 A 50 50 MET CB C 50 33.643 34.496 -0.853 1
1 631 . 9 1 1 A 50 50 MET N N 50 123.131 125.555 -2.424 1
1 632 . 9 1 1 A 51 51 ILE H H 51 9.056 8.902 0.154 1
1 633 . 9 1 1 A 51 51 ILE HA H 51 5.044 5.085 -0.041 1
1 643 . 9 1 1 A 51 51 ILE C C 51 173.689 173.967 -0.278 1
1 644 . 9 1 1 A 51 51 ILE CA C 51 58.495 59.128 -0.633 1
1 645 . 9 1 1 A 51 51 ILE CB C 51 41.447 42.160 -0.713 1
1 649 . 9 1 1 A 51 51 ILE N N 51 118.753 118.498 0.255 1
1 650 . 9 1 1 A 52 52 PHE H H 52 8.324 8.979 -0.655 1
1 651 . 9 1 1 A 52 52 PHE HA H 52 5.345 5.116 0.229 1
1 659 . 9 1 1 A 52 52 PHE C C 52 176.084 175.599 0.485 1
1 660 . 9 1 1 A 52 52 PHE CA C 52 56.478 57.263 -0.785 1
1 661 . 9 1 1 A 52 52 PHE CB C 52 40.520 40.382 0.138 1
1 665 . 9 1 1 A 52 52 PHE N N 52 120.910 121.922 -1.012 1
1 666 . 9 1 1 A 53 53 VAL H H 53 8.865 8.078 0.787 1
1 667 . 9 1 1 A 53 53 VAL HA H 53 4.663 4.641 0.022 1
1 675 . 9 1 1 A 53 53 VAL C C 53 174.812 175.449 -0.637 1
1 676 . 9 1 1 A 53 53 VAL CA C 53 58.881 58.905 -0.024 1
1 677 . 9 1 1 A 53 53 VAL CB C 53 35.707 34.943 0.764 1
1 680 . 9 1 1 A 53 53 VAL N N 53 118.244 116.147 2.097 1
1 681 . 9 1 1 A 54 54 LYS H H 54 8.335 8.798 -0.463 1
1 682 . 9 1 1 A 54 54 LYS HA H 54 4.324 4.362 -0.038 1
1 691 . 9 1 1 A 54 54 LYS C C 54 176.655 176.550 0.105 1
1 692 . 9 1 1 A 54 54 LYS CA C 54 58.039 57.259 0.780 1
1 693 . 9 1 1 A 54 54 LYS CB C 54 33.974 33.351 0.623 1
1 697 . 9 1 1 A 54 54 LYS N N 54 120.334 121.571 -1.237 1
1 698 . 9 1 1 A 55 55 ASN H H 55 7.235 7.825 -0.590 1
1 699 . 9 1 1 A 55 55 ASN HA H 55 4.888 5.276 -0.388 1
1 704 . 9 1 1 A 55 55 ASN C C 55 175.083 176.070 -0.987 1
1 705 . 9 1 1 A 55 55 ASN CA C 55 52.173 51.971 0.202 1
1 706 . 9 1 1 A 55 55 ASN CB C 55 39.333 41.321 -1.988 1
1 707 . 9 1 1 A 55 55 ASN N N 55 108.018 116.049 -8.031 1
1 709 . 9 1 1 A 56 56 THR H H 56 8.865 8.992 -0.127 1
1 710 . 9 1 1 A 56 56 THR HA H 56 4.036 4.217 -0.181 1
1 715 . 9 1 1 A 56 56 THR C C 56 178.637 175.715 2.922 1
1 716 . 9 1 1 A 56 56 THR CA C 56 65.800 65.391 0.409 1
1 717 . 9 1 1 A 56 56 THR CB C 56 68.341 68.456 -0.115 1
1 719 . 9 1 1 A 56 56 THR N N 56 113.338 117.154 -3.816 1
1 720 . 9 1 1 A 57 57 ASP H H 57 8.384 8.279 0.105 1
1 721 . 9 1 1 A 57 57 ASP HA H 57 4.467 4.440 0.027 1
1 724 . 9 1 1 A 57 57 ASP CA C 57 57.400 57.396 0.004 1
1 725 . 9 1 1 A 57 57 ASP CB C 57 39.938 40.040 -0.102 1
1 726 . 9 1 1 A 57 57 ASP N N 57 124.402 122.769 1.633 1
1 727 . 9 1 1 A 58 58 LYS H H 58 8.266 7.586 0.680 1
1 728 . 9 1 1 A 58 58 LYS HA H 58 4.172 4.056 0.116 1
1 740 . 9 1 1 A 58 58 LYS C C 58 178.378 178.594 -0.216 1
1 741 . 9 1 1 A 58 58 LYS CA C 58 57.695 59.466 -1.771 1
1 742 . 9 1 1 A 58 58 LYS CB C 58 31.763 31.973 -0.210 1
1 746 . 9 1 1 A 58 58 LYS N N 58 120.194 121.318 -1.124 1
1 747 . 9 1 1 A 59 59 LEU H H 59 7.302 7.344 -0.042 1
1 748 . 9 1 1 A 59 59 LEU HA H 59 3.907 3.946 -0.039 1
1 758 . 9 1 1 A 59 59 LEU C C 59 177.909 178.326 -0.417 1
1 759 . 9 1 1 A 59 59 LEU CA C 59 57.979 58.078 -0.099 1
1 760 . 9 1 1 A 59 59 LEU CB C 59 41.727 41.516 0.211 1
1 764 . 9 1 1 A 59 59 LEU N N 59 118.583 120.815 -2.232 1
1 765 . 9 1 1 A 60 60 THR H H 60 8.500 8.239 0.261 1
1 766 . 9 1 1 A 60 60 THR HA H 60 3.845 4.095 -0.250 1
1 771 . 9 1 1 A 60 60 THR C C 60 176.502 177.404 -0.902 1
1 772 . 9 1 1 A 60 60 THR CA C 60 66.691 65.560 1.131 1
1 773 . 9 1 1 A 60 60 THR CB C 60 68.390 68.304 0.086 1
1 775 . 9 1 1 A 60 60 THR N N 60 115.462 111.825 3.637 1
1 776 . 9 1 1 A 61 61 THR H H 61 7.996 7.751 0.245 1
1 777 . 9 1 1 A 61 61 THR HA H 61 4.053 3.926 0.127 1
1 782 . 9 1 1 A 61 61 THR C C 61 176.502 176.385 0.117 1
1 783 . 9 1 1 A 61 61 THR CA C 61 66.420 67.049 -0.629 1
1 784 . 9 1 1 A 61 61 THR CB C 61 68.549 67.791 0.758 1
1 786 . 9 1 1 A 61 61 THR N N 61 117.698 116.686 1.012 1
1 787 . 9 1 1 A 62 62 LEU H H 62 7.717 7.863 -0.146 1
1 788 . 9 1 1 A 62 62 LEU HA H 62 3.542 3.668 -0.126 1
1 798 . 9 1 1 A 62 62 LEU C C 62 178.612 179.374 -0.762 1
1 799 . 9 1 1 A 62 62 LEU CA C 62 57.988 57.682 0.306 1
1 800 . 9 1 1 A 62 62 LEU CB C 62 40.241 40.885 -0.644 1
1 804 . 9 1 1 A 62 62 LEU N N 62 122.534 120.957 1.577 1
1 805 . 9 1 1 A 63 63 MET H H 63 8.230 7.825 0.405 1
1 806 . 9 1 1 A 63 63 MET HA H 63 3.771 4.064 -0.293 1
1 814 . 9 1 1 A 63 63 MET C C 63 177.674 178.160 -0.486 1
1 815 . 9 1 1 A 63 63 MET CA C 63 60.699 58.942 1.757 1
1 816 . 9 1 1 A 63 63 MET CB C 63 33.024 32.380 0.644 1
1 819 . 9 1 1 A 63 63 MET N N 63 116.719 118.082 -1.363 1
1 820 . 9 1 1 A 64 64 ASP H H 64 8.263 7.814 0.449 1
1 821 . 9 1 1 A 64 64 ASP HA H 64 4.401 4.315 0.086 1
1 824 . 9 1 1 A 64 64 ASP C C 64 178.378 178.616 -0.238 1
1 825 . 9 1 1 A 64 64 ASP CA C 64 57.400 57.084 0.316 1
1 826 . 9 1 1 A 64 64 ASP CB C 64 40.703 41.717 -1.014 1
1 827 . 9 1 1 A 64 64 ASP N N 64 118.611 120.641 -2.030 1
1 828 . 9 1 1 A 65 65 LYS H H 65 7.755 7.465 0.290 1
1 829 . 9 1 1 A 65 65 LYS HA H 65 3.970 4.144 -0.174 1
1 838 . 9 1 1 A 65 65 LYS C C 65 179.922 179.310 0.612 1
1 839 . 9 1 1 A 65 65 LYS CA C 65 59.466 59.366 0.100 1
1 840 . 9 1 1 A 65 65 LYS CB C 65 32.372 32.608 -0.236 1
1 844 . 9 1 1 A 65 65 LYS N N 65 118.452 118.736 -0.284 1
1 845 . 9 1 1 A 66 66 LEU H H 66 7.768 8.357 -0.589 1
1 846 . 9 1 1 A 66 66 LEU HA H 66 4.066 4.170 -0.104 1
1 856 . 9 1 1 A 66 66 LEU C C 66 177.557 178.432 -0.875 1
1 857 . 9 1 1 A 66 66 LEU CA C 66 57.550 57.071 0.479 1
1 858 . 9 1 1 A 66 66 LEU CB C 66 43.218 41.337 1.881 1
1 862 . 9 1 1 A 66 66 LEU N N 66 118.471 119.976 -1.505 1
1 863 . 9 1 1 A 67 67 ARG H H 67 8.017 8.154 -0.137 1
1 864 . 9 1 1 A 67 67 ARG HA H 67 3.855 4.145 -0.290 1
1 872 . 9 1 1 A 67 67 ARG C C 67 177.440 177.768 -0.328 1
1 873 . 9 1 1 A 67 67 ARG CA C 67 58.584 58.413 0.171 1
1 874 . 9 1 1 A 67 67 ARG CB C 67 30.313 30.063 0.250 1
1 877 . 9 1 1 A 67 67 ARG N N 67 115.702 120.787 -5.085 1
1 879 . 9 1 1 A 68 68 LYS H H 68 7.168 7.689 -0.521 1
1 880 . 9 1 1 A 68 68 LYS HA H 68 4.198 4.342 -0.144 1
1 889 . 9 1 1 A 68 68 LYS C C 68 176.502 176.756 -0.254 1
1 890 . 9 1 1 A 68 68 LYS CA C 68 56.149 56.992 -0.843 1
1 891 . 9 1 1 A 68 68 LYS CB C 68 32.725 32.708 0.017 1
1 895 . 9 1 1 A 68 68 LYS N N 68 115.213 117.288 -2.075 1
1 896 . 9 1 1 A 69 69 VAL H H 69 7.348 7.235 0.113 1
1 897 . 9 1 1 A 69 69 VAL HA H 69 3.776 4.067 -0.291 1
1 905 . 9 1 1 A 69 69 VAL C C 69 175.916 177.908 -1.992 1
1 906 . 9 1 1 A 69 69 VAL CA C 69 63.134 63.680 -0.546 1
1 907 . 9 1 1 A 69 69 VAL CB C 69 31.075 32.006 -0.931 1
1 910 . 9 1 1 A 69 69 VAL N N 69 123.611 120.517 3.094 1
1 911 . 9 1 1 A 70 70 GLN H H 70 8.632 8.811 -0.179 1
1 912 . 9 1 1 A 70 70 GLN HA H 70 4.072 4.145 -0.073 1
1 919 . 9 1 1 A 70 70 GLN C C 70 176.151 176.815 -0.664 1
1 920 . 9 1 1 A 70 70 GLN CA C 70 57.800 58.214 -0.414 1
1 921 . 9 1 1 A 70 70 GLN CB C 70 28.100 28.110 -0.010 1
1 923 . 9 1 1 A 70 70 GLN N N 70 130.070 125.660 4.410 1
1 925 . 9 1 1 A 71 71 GLY H H 71 8.783 7.750 1.033 1
1 926 . 9 1 1 A 71 71 GLY HA2 H 71 4.598 4.070 0.528 1
1 927 . 9 1 1 A 71 71 GLY HA3 H 71 3.677 4.077 -0.400 1
1 928 . 9 1 1 A 71 71 GLY C C 71 173.924 174.065 -0.141 1
1 929 . 9 1 1 A 71 71 GLY CA C 71 44.941 45.182 -0.241 1
1 930 . 9 1 1 A 71 71 GLY N N 71 113.801 107.237 6.564 1
1 931 . 9 1 1 A 72 72 VAL H H 72 7.805 7.492 0.313 1
1 932 . 9 1 1 A 72 72 VAL HA H 72 3.723 3.831 -0.108 1
1 940 . 9 1 1 A 72 72 VAL C C 72 176.502 176.522 -0.020 1
1 941 . 9 1 1 A 72 72 VAL CA C 72 64.020 62.727 1.293 1
1 942 . 9 1 1 A 72 72 VAL CB C 72 32.003 32.329 -0.326 1
1 945 . 9 1 1 A 72 72 VAL N N 72 120.334 120.367 -0.033 1
1 946 . 9 1 1 A 73 73 PHE H H 73 9.522 7.459 2.063 1
1 947 . 9 1 1 A 73 73 PHE HA H 73 5.109 4.930 0.179 1
1 955 . 9 1 1 A 73 73 PHE C C 73 176.502 174.385 2.117 1
1 956 . 9 1 1 A 73 73 PHE CA C 73 56.354 56.761 -0.407 1
1 957 . 9 1 1 A 73 73 PHE CB C 73 39.615 40.681 -1.066 1
1 961 . 9 1 1 A 73 73 PHE N N 73 127.542 121.808 5.734 1
1 962 . 9 1 1 A 74 74 THR H H 74 7.972 7.166 0.806 1
1 963 . 9 1 1 A 74 74 THR HA H 74 4.736 4.866 -0.130 1
1 968 . 9 1 1 A 74 74 THR C C 74 172.400 173.458 -1.058 1
1 969 . 9 1 1 A 74 74 THR CA C 74 60.604 60.701 -0.097 1
1 970 . 9 1 1 A 74 74 THR CB C 74 72.576 71.442 1.134 1
1 972 . 9 1 1 A 74 74 THR N N 74 111.809 110.212 1.597 1
1 973 . 9 1 1 A 75 75 VAL H H 75 8.584 8.939 -0.355 1
1 974 . 9 1 1 A 75 75 VAL HA H 75 4.878 4.875 0.003 1
1 982 . 9 1 1 A 75 75 VAL C C 75 174.510 174.826 -0.316 1
1 983 . 9 1 1 A 75 75 VAL CA C 75 61.844 61.621 0.223 1
1 984 . 9 1 1 A 75 75 VAL CB C 75 34.500 34.116 0.384 1
1 987 . 9 1 1 A 75 75 VAL N N 75 122.820 125.382 -2.562 1
1 988 . 9 1 1 A 76 76 GLU H H 76 9.029 9.190 -0.161 1
1 989 . 9 1 1 A 76 76 GLU HA H 76 4.861 4.812 0.049 1
1 994 . 9 1 1 A 76 76 GLU C C 76 174.510 174.394 0.116 1
1 995 . 9 1 1 A 76 76 GLU CA C 76 53.757 54.376 -0.619 1
1 996 . 9 1 1 A 76 76 GLU CB C 76 34.230 33.211 1.019 1
1 998 . 9 1 1 A 76 76 GLU N N 76 124.572 126.200 -1.628 1
1 999 . 9 1 1 A 77 77 ARG H H 77 8.962 8.749 0.213 1
1 1000 . 9 1 1 A 77 77 ARG HA H 77 4.736 4.967 -0.231 1
1 1008 . 9 1 1 A 77 77 ARG C C 77 176.502 175.190 1.312 1
1 1009 . 9 1 1 A 77 77 ARG CA C 77 55.521 54.816 0.705 1
1 1010 . 9 1 1 A 77 77 ARG CB C 77 30.893 32.603 -1.710 1
1 1013 . 9 1 1 A 77 77 ARG N N 77 122.875 123.129 -0.254 1
1 1015 . 9 1 1 A 78 78 LEU H H 78 8.252 9.132 -0.880 1
1 1016 . 9 1 1 A 78 78 LEU HA H 78 4.505 4.346 0.159 1
1 1026 . 9 1 1 A 78 78 LEU C C 78 176.737 176.940 -0.203 1
1 1027 . 9 1 1 A 78 78 LEU CA C 78 53.875 54.705 -0.830 1
1 1028 . 9 1 1 A 78 78 LEU CB C 78 43.228 40.674 2.554 1
1 1032 . 9 1 1 A 78 78 LEU N N 78 127.062 128.519 -1.457 1
1 1033 . 9 1 1 A 79 79 SER H H 79 8.635 8.649 -0.014 1
1 1034 . 9 1 1 A 79 79 SER HA H 79 4.492 4.457 0.035 1
1 1037 . 9 1 1 A 79 79 SER C C 79 174.041 174.571 -0.530 1
1 1038 . 9 1 1 A 79 79 SER CA C 79 58.465 61.152 -2.687 1
1 1039 . 9 1 1 A 79 79 SER CB C 79 63.993 63.258 0.735 1
1 1040 . 9 1 1 A 79 79 SER N N 79 118.446 121.182 -2.736 1
1 1041 . 9 1 1 A 80 80 ASN H H 80 8.421 7.995 0.426 1
1 1042 . 9 1 1 A 80 80 ASN HA H 80 4.668 4.907 -0.239 1
1 1047 . 9 1 1 A 80 80 ASN C C 80 175.096 174.928 0.168 1
1 1048 . 9 1 1 A 80 80 ASN CA C 80 53.300 52.391 0.909 1
1 1049 . 9 1 1 A 80 80 ASN CB C 80 38.300 38.751 -0.451 1
1 1050 . 9 1 1 A 80 80 ASN N N 80 119.339 115.716 3.623 1
1 1052 . 9 1 1 A 81 81 LEU H H 81 8.256 8.962 -0.706 1
1 1053 . 9 1 1 A 81 81 LEU HA H 81 4.258 4.801 -0.543 1
1 1063 . 9 1 1 A 81 81 LEU C C 81 177.323 177.659 -0.336 1
1 1064 . 9 1 1 A 81 81 LEU CA C 81 55.263 53.660 1.603 1
1 1065 . 9 1 1 A 81 81 LEU CB C 81 41.756 43.295 -1.539 1
1 1069 . 9 1 1 A 81 81 LEU N N 81 121.238 126.411 -5.173 1
1 1070 . 9 1 1 A 82 82 GLU H H 82 8.282 8.532 -0.250 1
1 1071 . 9 1 1 A 82 82 GLU HA H 82 4.169 4.346 -0.177 1
1 1076 . 9 1 1 A 82 82 GLU C C 82 176.385 175.861 0.524 1
1 1077 . 9 1 1 A 82 82 GLU CA C 82 56.762 55.199 1.563 1
1 1078 . 9 1 1 A 82 82 GLU CB C 82 29.997 29.420 0.577 1
1 1080 . 9 1 1 A 82 82 GLU N N 82 120.037 118.817 1.220 1
1 1081 . 9 1 1 A 83 83 HIS H H 83 8.195 7.763 0.432 1
1 1082 . 9 1 1 A 83 83 HIS HA H 83 4.535 4.601 -0.066 1
1 1087 . 9 1 1 A 83 83 HIS C C 83 175.081 174.509 0.572 1
1 1088 . 9 1 1 A 83 83 HIS CA C 83 55.951 54.743 1.208 1
1 1089 . 9 1 1 A 83 83 HIS CB C 83 30.366 27.629 2.737 1
1 1 . 10 1 1 A 2 2 THR HA H 2 3.782 4.764 -0.982 1
1 6 . 10 1 1 A 2 2 THR C C 2 171.502 174.085 -2.583 1
1 7 . 10 1 1 A 2 2 THR CA C 2 61.906 62.483 -0.577 1
1 8 . 10 1 1 A 2 2 THR CB C 2 69.449 69.629 -0.180 1
1 10 . 10 1 1 A 3 3 ASP H H 3 8.636 8.686 -0.050 1
1 11 . 10 1 1 A 3 3 ASP HA H 3 4.803 5.644 -0.841 1
1 14 . 10 1 1 A 3 3 ASP C C 3 175.330 176.158 -0.828 1
1 15 . 10 1 1 A 3 3 ASP CA C 3 54.454 53.523 0.931 1
1 16 . 10 1 1 A 3 3 ASP CB C 3 41.426 43.005 -1.579 1
1 17 . 10 1 1 A 3 3 ASP N N 3 125.850 127.237 -1.387 1
1 18 . 10 1 1 A 4 4 PHE H H 4 8.608 8.900 -0.292 1
1 19 . 10 1 1 A 4 4 PHE HA H 4 5.042 5.773 -0.731 1
1 27 . 10 1 1 A 4 4 PHE C C 4 172.986 172.842 0.144 1
1 28 . 10 1 1 A 4 4 PHE CA C 4 55.505 55.195 0.310 1
1 29 . 10 1 1 A 4 4 PHE CB C 4 41.288 42.350 -1.062 1
1 33 . 10 1 1 A 4 4 PHE N N 4 117.566 118.012 -0.446 1
1 34 . 10 1 1 A 5 5 LEU H H 5 8.498 8.574 -0.076 1
1 35 . 10 1 1 A 5 5 LEU HA H 5 4.532 3.898 0.634 1
1 45 . 10 1 1 A 5 5 LEU C C 5 175.330 174.466 0.864 1
1 46 . 10 1 1 A 5 5 LEU CA C 5 54.222 53.962 0.260 1
1 47 . 10 1 1 A 5 5 LEU CB C 5 42.932 42.519 0.413 1
1 51 . 10 1 1 A 5 5 LEU N N 5 123.329 122.208 1.121 1
1 52 . 10 1 1 A 6 6 ALA H H 6 9.325 8.826 0.499 1
1 53 . 10 1 1 A 6 6 ALA HA H 6 4.769 5.281 -0.512 1
1 57 . 10 1 1 A 6 6 ALA C C 6 174.744 176.804 -2.060 1
1 58 . 10 1 1 A 6 6 ALA CA C 6 50.500 50.581 -0.081 1
1 59 . 10 1 1 A 6 6 ALA CB C 6 23.746 20.799 2.947 1
1 60 . 10 1 1 A 6 6 ALA N N 6 129.530 130.376 -0.846 1
1 61 . 10 1 1 A 7 7 GLY H H 7 8.639 8.891 -0.252 1
1 62 . 10 1 1 A 7 7 GLY HA2 H 7 5.721 4.197 1.524 1
1 63 . 10 1 1 A 7 7 GLY HA3 H 7 3.508 4.208 -0.700 1
1 64 . 10 1 1 A 7 7 GLY C C 7 173.221 171.867 1.354 1
1 65 . 10 1 1 A 7 7 GLY CA C 7 45.351 44.175 1.176 1
1 66 . 10 1 1 A 7 7 GLY N N 7 106.888 111.097 -4.209 1
1 67 . 10 1 1 A 8 8 ILE H H 8 9.356 9.019 0.337 1
1 68 . 10 1 1 A 8 8 ILE HA H 8 4.957 4.870 0.087 1
1 78 . 10 1 1 A 8 8 ILE C C 8 172.986 173.857 -0.871 1
1 79 . 10 1 1 A 8 8 ILE CA C 8 59.551 59.999 -0.448 1
1 80 . 10 1 1 A 8 8 ILE CB C 8 43.405 41.558 1.847 1
1 84 . 10 1 1 A 8 8 ILE N N 8 122.820 124.284 -1.464 1
1 85 . 10 1 1 A 9 9 ARG H H 9 9.364 9.480 -0.116 1
1 86 . 10 1 1 A 9 9 ARG HA H 9 5.609 5.152 0.457 1
1 94 . 10 1 1 A 9 9 ARG C C 9 175.096 174.570 0.526 1
1 95 . 10 1 1 A 9 9 ARG CA C 9 54.192 54.457 -0.265 1
1 96 . 10 1 1 A 9 9 ARG CB C 9 33.400 33.292 0.108 1
1 99 . 10 1 1 A 9 9 ARG N N 9 126.323 128.048 -1.725 1
1 101 . 10 1 1 A 10 10 ILE H H 10 9.479 9.301 0.178 1
1 102 . 10 1 1 A 10 10 ILE HA H 10 5.089 4.776 0.313 1
1 112 . 10 1 1 A 10 10 ILE C C 10 174.275 174.327 -0.052 1
1 113 . 10 1 1 A 10 10 ILE CA C 10 60.127 59.834 0.293 1
1 114 . 10 1 1 A 10 10 ILE CB C 10 42.651 39.442 3.209 1
1 118 . 10 1 1 A 10 10 ILE N N 10 128.583 127.308 1.275 1
1 119 . 10 1 1 A 11 11 VAL H H 11 8.581 8.736 -0.155 1
1 120 . 10 1 1 A 11 11 VAL HA H 11 4.793 4.878 -0.085 1
1 128 . 10 1 1 A 11 11 VAL C C 11 175.827 174.658 1.169 1
1 129 . 10 1 1 A 11 11 VAL CA C 11 60.201 60.415 -0.214 1
1 130 . 10 1 1 A 11 11 VAL CB C 11 34.522 33.131 1.391 1
1 133 . 10 1 1 A 11 11 VAL N N 11 126.323 128.337 -2.014 1
1 134 . 10 1 1 A 12 12 GLY H H 12 7.713 7.314 0.399 1
1 135 . 10 1 1 A 12 12 GLY HA2 H 12 3.434 2.918 0.516 1
1 136 . 10 1 1 A 12 12 GLY HA3 H 12 3.563 3.684 -0.121 1
1 137 . 10 1 1 A 12 12 GLY C C 12 170.332 172.420 -2.088 1
1 138 . 10 1 1 A 12 12 GLY CA C 12 45.842 43.504 2.338 1
1 139 . 10 1 1 A 12 12 GLY N N 12 113.216 113.336 -0.120 1
1 140 . 10 1 1 A 13 13 GLU H H 13 8.180 8.145 0.035 1
1 141 . 10 1 1 A 13 13 GLU HA H 13 4.387 4.446 -0.059 1
1 146 . 10 1 1 A 13 13 GLU C C 13 175.409 175.662 -0.253 1
1 147 . 10 1 1 A 13 13 GLU CA C 13 55.865 56.760 -0.895 1
1 148 . 10 1 1 A 13 13 GLU CB C 13 31.102 30.233 0.869 1
1 150 . 10 1 1 A 13 13 GLU N N 13 119.035 117.686 1.349 1
1 151 . 10 1 1 A 14 14 ASP H H 14 8.095 8.887 -0.792 1
1 152 . 10 1 1 A 14 14 ASP HA H 14 4.888 4.916 -0.028 1
1 155 . 10 1 1 A 14 14 ASP C C 14 174.991 175.005 -0.014 1
1 156 . 10 1 1 A 14 14 ASP CA C 14 52.473 53.691 -1.218 1
1 157 . 10 1 1 A 14 14 ASP CB C 14 40.364 40.244 0.120 1
1 158 . 10 1 1 A 14 14 ASP N N 14 122.877 124.159 -1.282 1
1 159 . 10 1 1 A 15 15 LYS H H 15 7.345 8.401 -1.056 1
1 160 . 10 1 1 A 15 15 LYS HA H 15 4.550 4.627 -0.077 1
1 169 . 10 1 1 A 15 15 LYS C C 15 176.385 177.686 -1.301 1
1 170 . 10 1 1 A 15 15 LYS CA C 15 54.554 54.875 -0.321 1
1 171 . 10 1 1 A 15 15 LYS CB C 15 35.403 34.328 1.075 1
1 175 . 10 1 1 A 15 15 LYS N N 15 120.221 126.096 -5.875 1
1 176 . 10 1 1 A 16 16 ASN H H 16 9.025 8.985 0.040 1
1 177 . 10 1 1 A 16 16 ASN HA H 16 4.386 4.440 -0.054 1
1 182 . 10 1 1 A 16 16 ASN C C 16 175.916 176.039 -0.123 1
1 183 . 10 1 1 A 16 16 ASN CA C 16 54.966 55.559 -0.593 1
1 184 . 10 1 1 A 16 16 ASN CB C 16 37.810 37.709 0.101 1
1 185 . 10 1 1 A 16 16 ASN N N 16 119.785 120.311 -0.526 1
1 187 . 10 1 1 A 17 17 GLY H H 17 8.780 8.008 0.772 1
1 188 . 10 1 1 A 17 17 GLY HA2 H 17 4.125 3.979 0.146 1
1 189 . 10 1 1 A 17 17 GLY HA3 H 17 3.970 3.996 -0.026 1
1 190 . 10 1 1 A 17 17 GLY C C 17 176.151 175.388 0.763 1
1 191 . 10 1 1 A 17 17 GLY CA C 17 45.996 45.216 0.780 1
1 192 . 10 1 1 A 17 17 GLY N N 17 110.504 106.720 3.784 1
1 193 . 10 1 1 A 18 18 MET H H 18 7.989 7.662 0.327 1
1 194 . 10 1 1 A 18 18 MET HA H 18 4.359 4.183 0.176 1
1 202 . 10 1 1 A 18 18 MET C C 18 178.589 178.147 0.442 1
1 203 . 10 1 1 A 18 18 MET CA C 18 57.405 58.296 -0.891 1
1 204 . 10 1 1 A 18 18 MET CB C 18 31.847 33.507 -1.660 1
1 207 . 10 1 1 A 18 18 MET N N 18 121.860 119.795 2.065 1
1 208 . 10 1 1 A 19 19 THR H H 19 8.807 8.155 0.652 1
1 209 . 10 1 1 A 19 19 THR HA H 19 3.233 3.260 -0.027 1
1 215 . 10 1 1 A 19 19 THR C C 19 177.909 177.105 0.804 1
1 216 . 10 1 1 A 19 19 THR CA C 19 65.516 65.385 0.131 1
1 217 . 10 1 1 A 19 19 THR CB C 19 67.000 68.101 -1.101 1
1 219 . 10 1 1 A 19 19 THR N N 19 111.351 112.190 -0.839 1
1 220 . 10 1 1 A 20 20 ASN H H 20 7.936 7.913 0.023 1
1 221 . 10 1 1 A 20 20 ASN HA H 20 4.083 4.424 -0.341 1
1 226 . 10 1 1 A 20 20 ASN C C 20 176.854 177.632 -0.778 1
1 227 . 10 1 1 A 20 20 ASN CA C 20 57.669 55.751 1.918 1
1 228 . 10 1 1 A 20 20 ASN CB C 20 36.625 38.278 -1.653 1
1 229 . 10 1 1 A 20 20 ASN N N 20 121.577 120.612 0.965 1
1 231 . 10 1 1 A 21 21 GLN H H 21 8.433 8.222 0.211 1
1 232 . 10 1 1 A 21 21 GLN HA H 21 4.046 4.003 0.043 1
1 239 . 10 1 1 A 21 21 GLN C C 21 179.550 178.253 1.297 1
1 240 . 10 1 1 A 21 21 GLN CA C 21 59.187 58.575 0.612 1
1 241 . 10 1 1 A 21 21 GLN CB C 21 28.512 27.939 0.573 1
1 243 . 10 1 1 A 21 21 GLN N N 21 120.250 117.193 3.057 1
1 245 . 10 1 1 A 22 22 ILE H H 22 8.779 8.004 0.775 1
1 246 . 10 1 1 A 22 22 ILE HA H 22 3.823 3.617 0.206 1
1 256 . 10 1 1 A 22 22 ILE C C 22 176.854 177.669 -0.815 1
1 257 . 10 1 1 A 22 22 ILE CA C 22 61.611 65.373 -3.762 1
1 258 . 10 1 1 A 22 22 ILE CB C 22 36.935 38.006 -1.071 1
1 262 . 10 1 1 A 22 22 ILE N N 22 119.497 121.185 -1.688 1
1 263 . 10 1 1 A 23 23 THR H H 23 7.478 7.699 -0.221 1
1 264 . 10 1 1 A 23 23 THR HA H 23 3.523 3.918 -0.395 1
1 270 . 10 1 1 A 23 23 THR C C 23 176.502 176.552 -0.050 1
1 271 . 10 1 1 A 23 23 THR CA C 23 67.006 66.340 0.666 1
1 272 . 10 1 1 A 23 23 THR CB C 23 67.305 68.350 -1.045 1
1 274 . 10 1 1 A 23 23 THR N N 23 115.702 116.069 -0.367 1
1 275 . 10 1 1 A 24 24 GLY H H 24 8.011 8.311 -0.300 1
1 276 . 10 1 1 A 24 24 GLY HA2 H 24 3.880 3.682 0.198 1
1 277 . 10 1 1 A 24 24 GLY HA3 H 24 3.672 3.687 -0.015 1
1 278 . 10 1 1 A 24 24 GLY C C 24 176.385 175.588 0.797 1
1 279 . 10 1 1 A 24 24 GLY CA C 24 47.163 47.265 -0.102 1
1 280 . 10 1 1 A 24 24 GLY N N 24 110.691 107.854 2.837 1
1 281 . 10 1 1 A 25 25 VAL H H 25 7.898 8.578 -0.680 1
1 282 . 10 1 1 A 25 25 VAL HA H 25 3.473 3.617 -0.144 1
1 290 . 10 1 1 A 25 25 VAL C C 25 178.286 177.267 1.019 1
1 291 . 10 1 1 A 25 25 VAL CA C 25 66.432 65.744 0.688 1
1 292 . 10 1 1 A 25 25 VAL CB C 25 31.925 31.544 0.381 1
1 295 . 10 1 1 A 25 25 VAL N N 25 123.276 122.534 0.742 1
1 296 . 10 1 1 A 26 26 ILE H H 26 7.646 8.014 -0.368 1
1 297 . 10 1 1 A 26 26 ILE HA H 26 2.698 2.398 0.300 1
1 307 . 10 1 1 A 26 26 ILE C C 26 177.440 177.859 -0.419 1
1 308 . 10 1 1 A 26 26 ILE CA C 26 64.163 64.909 -0.746 1
1 309 . 10 1 1 A 26 26 ILE CB C 26 37.876 37.323 0.553 1
1 313 . 10 1 1 A 26 26 ILE N N 26 116.606 119.900 -3.294 1
1 314 . 10 1 1 A 27 27 SER H H 27 7.783 8.044 -0.261 1
1 315 . 10 1 1 A 27 27 SER HA H 27 3.908 4.148 -0.240 1
1 319 . 10 1 1 A 27 27 SER C C 27 175.330 175.820 -0.490 1
1 320 . 10 1 1 A 27 27 SER CA C 27 61.465 61.117 0.348 1
1 321 . 10 1 1 A 27 27 SER CB C 27 63.388 62.728 0.660 1
1 322 . 10 1 1 A 27 27 SER N N 27 112.932 114.860 -1.928 1
1 323 . 10 1 1 A 28 28 LYS H H 28 7.008 7.448 -0.440 1
1 324 . 10 1 1 A 28 28 LYS HA H 28 4.234 4.243 -0.009 1
1 333 . 10 1 1 A 28 28 LYS C C 28 177.323 177.089 0.234 1
1 334 . 10 1 1 A 28 28 LYS CA C 28 56.161 57.230 -1.069 1
1 335 . 10 1 1 A 28 28 LYS CB C 28 32.742 32.453 0.289 1
1 339 . 10 1 1 A 28 28 LYS N N 28 118.978 119.076 -0.098 1
1 340 . 10 1 1 A 29 29 PHE H H 29 7.691 7.114 0.577 1
1 341 . 10 1 1 A 29 29 PHE HA H 29 4.576 4.454 0.122 1
1 349 . 10 1 1 A 29 29 PHE C C 29 175.841 176.760 -0.919 1
1 350 . 10 1 1 A 29 29 PHE CA C 29 56.366 58.285 -1.919 1
1 351 . 10 1 1 A 29 29 PHE CB C 29 38.723 40.077 -1.354 1
1 355 . 10 1 1 A 29 29 PHE N N 29 120.755 119.749 1.006 1
1 356 . 10 1 1 A 30 30 ASP H H 30 8.388 8.926 -0.538 1
1 357 . 10 1 1 A 30 30 ASP HA H 30 4.650 4.535 0.115 1
1 360 . 10 1 1 A 30 30 ASP C C 30 175.096 175.652 -0.556 1
1 361 . 10 1 1 A 30 30 ASP CA C 30 53.331 55.505 -2.174 1
1 362 . 10 1 1 A 30 30 ASP CB C 30 38.691 41.031 -2.340 1
1 363 . 10 1 1 A 30 30 ASP N N 30 122.230 119.879 2.351 1
1 364 . 10 1 1 A 31 31 THR H H 31 7.663 7.696 -0.033 1
1 365 . 10 1 1 A 31 31 THR HA H 31 4.558 4.356 0.202 1
1 370 . 10 1 1 A 31 31 THR C C 31 173.297 173.527 -0.230 1
1 371 . 10 1 1 A 31 31 THR CA C 31 59.333 61.620 -2.287 1
1 372 . 10 1 1 A 31 31 THR CB C 31 70.319 70.457 -0.138 1
1 374 . 10 1 1 A 31 31 THR N N 31 112.538 115.751 -3.213 1
1 375 . 10 1 1 A 32 32 ASN H H 32 8.308 8.642 -0.334 1
1 376 . 10 1 1 A 32 32 ASN HA H 32 4.910 5.047 -0.137 1
1 381 . 10 1 1 A 32 32 ASN C C 32 175.447 174.530 0.917 1
1 382 . 10 1 1 A 32 32 ASN CA C 32 52.732 52.295 0.437 1
1 383 . 10 1 1 A 32 32 ASN CB C 32 39.337 40.084 -0.747 1
1 384 . 10 1 1 A 32 32 ASN N N 32 121.973 123.860 -1.887 1
1 386 . 10 1 1 A 33 33 ILE H H 33 8.320 8.927 -0.607 1
1 387 . 10 1 1 A 33 33 ILE HA H 33 3.846 4.173 -0.327 1
1 397 . 10 1 1 A 33 33 ILE C C 33 175.230 176.055 -0.825 1
1 398 . 10 1 1 A 33 33 ILE CA C 33 63.300 61.431 1.869 1
1 399 . 10 1 1 A 33 33 ILE CB C 33 39.167 36.857 2.310 1
1 403 . 10 1 1 A 33 33 ILE N N 33 125.984 127.011 -1.027 1
1 404 . 10 1 1 A 34 34 ARG H H 34 8.858 8.857 0.001 1
1 405 . 10 1 1 A 34 34 ARG HA H 34 4.538 4.532 0.006 1
1 413 . 10 1 1 A 34 34 ARG C C 34 175.565 176.488 -0.923 1
1 414 . 10 1 1 A 34 34 ARG CA C 34 54.900 56.994 -2.094 1
1 415 . 10 1 1 A 34 34 ARG CB C 34 30.275 31.567 -1.292 1
1 418 . 10 1 1 A 34 34 ARG N N 34 126.537 128.319 -1.782 1
1 420 . 10 1 1 A 35 35 THR H H 35 7.698 7.341 0.357 1
1 421 . 10 1 1 A 35 35 THR HA H 35 5.311 4.974 0.337 1
1 426 . 10 1 1 A 35 35 THR C C 35 173.807 172.274 1.533 1
1 427 . 10 1 1 A 35 35 THR CA C 35 61.040 61.073 -0.033 1
1 428 . 10 1 1 A 35 35 THR CB C 35 74.055 73.391 0.664 1
1 430 . 10 1 1 A 35 35 THR N N 35 111.895 112.410 -0.515 1
1 431 . 10 1 1 A 36 36 ILE H H 36 8.907 8.667 0.240 1
1 432 . 10 1 1 A 36 36 ILE HA H 36 4.753 5.407 -0.654 1
1 442 . 10 1 1 A 36 36 ILE C C 36 174.275 173.256 1.019 1
1 443 . 10 1 1 A 36 36 ILE CA C 36 61.400 60.066 1.334 1
1 444 . 10 1 1 A 36 36 ILE CB C 36 42.569 41.833 0.736 1
1 448 . 10 1 1 A 36 36 ILE N N 36 123.257 124.595 -1.338 1
1 449 . 10 1 1 A 37 37 VAL H H 37 8.933 8.860 0.073 1
1 450 . 10 1 1 A 37 37 VAL HA H 37 4.903 4.619 0.284 1
1 458 . 10 1 1 A 37 37 VAL C C 37 174.684 173.963 0.721 1
1 459 . 10 1 1 A 37 37 VAL CA C 37 62.100 61.547 0.553 1
1 460 . 10 1 1 A 37 37 VAL CB C 37 34.186 33.941 0.245 1
1 463 . 10 1 1 A 37 37 VAL N N 37 126.323 128.869 -2.546 1
1 464 . 10 1 1 A 38 38 LEU H H 38 9.751 9.064 0.687 1
1 465 . 10 1 1 A 38 38 LEU HA H 38 5.636 5.677 -0.041 1
1 475 . 10 1 1 A 38 38 LEU C C 38 174.510 175.007 -0.497 1
1 476 . 10 1 1 A 38 38 LEU CA C 38 53.810 53.699 0.111 1
1 477 . 10 1 1 A 38 38 LEU CB C 38 45.655 44.631 1.024 1
1 481 . 10 1 1 A 38 38 LEU N N 38 133.332 130.121 3.211 1
1 482 . 10 1 1 A 39 39 ASN H H 39 8.952 8.967 -0.015 1
1 483 . 10 1 1 A 39 39 ASN HA H 39 5.450 5.610 -0.160 1
1 488 . 10 1 1 A 39 39 ASN C C 39 172.869 173.478 -0.609 1
1 489 . 10 1 1 A 39 39 ASN CA C 39 53.137 51.585 1.552 1
1 490 . 10 1 1 A 39 39 ASN CB C 39 43.287 40.758 2.529 1
1 491 . 10 1 1 A 39 39 ASN N N 39 123.262 124.215 -0.953 1
1 493 . 10 1 1 A 40 40 ALA H H 40 8.467 8.988 -0.521 1
1 494 . 10 1 1 A 40 40 ALA HA H 40 5.345 5.202 0.143 1
1 498 . 10 1 1 A 40 40 ALA C C 40 175.447 177.634 -2.187 1
1 499 . 10 1 1 A 40 40 ALA CA C 40 51.370 51.216 0.154 1
1 500 . 10 1 1 A 40 40 ALA CB C 40 20.975 20.253 0.722 1
1 501 . 10 1 1 A 40 40 ALA N N 40 127.058 128.522 -1.464 1
1 502 . 10 1 1 A 41 41 LYS H H 41 8.865 9.221 -0.356 1
1 503 . 10 1 1 A 41 41 LYS HA H 41 4.435 4.840 -0.405 1
1 512 . 10 1 1 A 41 41 LYS C C 41 175.565 175.016 0.549 1
1 513 . 10 1 1 A 41 41 LYS CA C 41 56.736 54.514 2.222 1
1 514 . 10 1 1 A 41 41 LYS CB C 41 34.811 33.073 1.738 1
1 518 . 10 1 1 A 41 41 LYS N N 41 121.996 119.422 2.574 1
1 519 . 10 1 1 A 42 42 ASP H H 42 9.197 8.696 0.501 1
1 520 . 10 1 1 A 42 42 ASP HA H 42 4.373 4.305 0.068 1
1 523 . 10 1 1 A 42 42 ASP C C 42 175.447 177.199 -1.752 1
1 524 . 10 1 1 A 42 42 ASP CA C 42 55.547 56.175 -0.628 1
1 525 . 10 1 1 A 42 42 ASP CB C 42 39.485 39.906 -0.421 1
1 526 . 10 1 1 A 42 42 ASP N N 42 122.213 119.742 2.471 1
1 527 . 10 1 1 A 43 43 GLY H H 43 9.306 8.687 0.619 1
1 528 . 10 1 1 A 43 43 GLY HA2 H 43 4.443 3.896 0.547 1
1 529 . 10 1 1 A 43 43 GLY HA3 H 43 3.816 3.905 -0.089 1
1 530 . 10 1 1 A 43 43 GLY C C 43 174.979 173.524 1.455 1
1 531 . 10 1 1 A 43 43 GLY CA C 43 45.661 45.610 0.051 1
1 532 . 10 1 1 A 43 43 GLY N N 43 104.610 111.589 -6.979 1
1 533 . 10 1 1 A 44 44 ILE H H 44 8.117 7.866 0.251 1
1 534 . 10 1 1 A 44 44 ILE HA H 44 5.112 4.936 0.176 1
1 544 . 10 1 1 A 44 44 ILE C C 44 175.213 174.721 0.492 1
1 545 . 10 1 1 A 44 44 ILE CA C 44 59.040 59.575 -0.535 1
1 546 . 10 1 1 A 44 44 ILE CB C 44 42.013 41.735 0.278 1
1 550 . 10 1 1 A 44 44 ILE N N 44 122.284 121.184 1.100 1
1 551 . 10 1 1 A 45 45 PHE H H 45 8.955 8.779 0.176 1
1 552 . 10 1 1 A 45 45 PHE HA H 45 5.740 5.781 -0.041 1
1 560 . 10 1 1 A 45 45 PHE C C 45 172.283 172.644 -0.361 1
1 561 . 10 1 1 A 45 45 PHE CA C 45 55.872 55.198 0.674 1
1 562 . 10 1 1 A 45 45 PHE CB C 45 42.740 42.685 0.055 1
1 566 . 10 1 1 A 45 45 PHE N N 45 121.747 120.530 1.217 1
1 567 . 10 1 1 A 46 46 THR H H 46 8.659 8.664 -0.005 1
1 568 . 10 1 1 A 46 46 THR HA H 46 5.111 5.230 -0.119 1
1 574 . 10 1 1 A 46 46 THR C C 46 174.041 172.112 1.929 1
1 575 . 10 1 1 A 46 46 THR CA C 46 59.750 59.946 -0.196 1
1 576 . 10 1 1 A 46 46 THR CB C 46 71.380 71.123 0.257 1
1 578 . 10 1 1 A 46 46 THR N N 46 113.420 115.367 -1.947 1
1 579 . 10 1 1 A 47 47 CYS H H 47 9.619 9.560 0.059 1
1 580 . 10 1 1 A 47 47 CYS HA H 47 5.562 5.289 0.273 1
1 584 . 10 1 1 A 47 47 CYS C C 47 172.283 173.161 -0.878 1
1 585 . 10 1 1 A 47 47 CYS CA C 47 56.776 57.192 -0.416 1
1 586 . 10 1 1 A 47 47 CYS CB C 47 29.112 30.047 -0.935 1
1 587 . 10 1 1 A 47 47 CYS N N 47 124.781 129.843 -5.062 1
1 588 . 10 1 1 A 48 48 ASN H H 48 9.293 9.441 -0.148 1
1 589 . 10 1 1 A 48 48 ASN HA H 48 5.629 5.609 0.020 1
1 594 . 10 1 1 A 48 48 ASN C C 48 173.455 173.711 -0.256 1
1 595 . 10 1 1 A 48 48 ASN CA C 48 51.962 52.491 -0.529 1
1 596 . 10 1 1 A 48 48 ASN CB C 48 40.059 39.524 0.535 1
1 597 . 10 1 1 A 48 48 ASN N N 48 129.520 125.595 3.925 1
1 599 . 10 1 1 A 49 49 LEU H H 49 9.435 9.231 0.204 1
1 600 . 10 1 1 A 49 49 LEU HA H 49 5.158 5.003 0.155 1
1 610 . 10 1 1 A 49 49 LEU C C 49 174.510 174.634 -0.124 1
1 611 . 10 1 1 A 49 49 LEU CA C 49 53.178 53.734 -0.556 1
1 612 . 10 1 1 A 49 49 LEU CB C 49 46.402 44.172 2.230 1
1 616 . 10 1 1 A 49 49 LEU N N 49 125.541 127.098 -1.557 1
1 617 . 10 1 1 A 50 50 MET H H 50 8.978 9.043 -0.065 1
1 618 . 10 1 1 A 50 50 MET HA H 50 5.723 5.353 0.370 1
1 626 . 10 1 1 A 50 50 MET C C 50 175.682 174.947 0.735 1
1 627 . 10 1 1 A 50 50 MET CA C 50 54.073 53.938 0.135 1
1 628 . 10 1 1 A 50 50 MET CB C 50 33.643 34.672 -1.029 1
1 631 . 10 1 1 A 50 50 MET N N 50 123.131 125.363 -2.232 1
1 632 . 10 1 1 A 51 51 ILE H H 51 9.056 8.713 0.343 1
1 633 . 10 1 1 A 51 51 ILE HA H 51 5.044 5.084 -0.040 1
1 643 . 10 1 1 A 51 51 ILE C C 51 173.689 174.154 -0.465 1
1 644 . 10 1 1 A 51 51 ILE CA C 51 58.495 58.963 -0.468 1
1 645 . 10 1 1 A 51 51 ILE CB C 51 41.447 42.148 -0.701 1
1 649 . 10 1 1 A 51 51 ILE N N 51 118.753 117.920 0.833 1
1 650 . 10 1 1 A 52 52 PHE H H 52 8.324 8.972 -0.648 1
1 651 . 10 1 1 A 52 52 PHE HA H 52 5.345 5.228 0.117 1
1 659 . 10 1 1 A 52 52 PHE C C 52 176.084 175.467 0.617 1
1 660 . 10 1 1 A 52 52 PHE CA C 52 56.478 57.300 -0.822 1
1 661 . 10 1 1 A 52 52 PHE CB C 52 40.520 40.925 -0.405 1
1 665 . 10 1 1 A 52 52 PHE N N 52 120.910 121.955 -1.045 1
1 666 . 10 1 1 A 53 53 VAL H H 53 8.865 8.248 0.617 1
1 667 . 10 1 1 A 53 53 VAL HA H 53 4.663 4.655 0.008 1
1 675 . 10 1 1 A 53 53 VAL C C 53 174.812 175.456 -0.644 1
1 676 . 10 1 1 A 53 53 VAL CA C 53 58.881 59.201 -0.320 1
1 677 . 10 1 1 A 53 53 VAL CB C 53 35.707 34.902 0.805 1
1 680 . 10 1 1 A 53 53 VAL N N 53 118.244 115.222 3.022 1
1 681 . 10 1 1 A 54 54 LYS H H 54 8.335 8.712 -0.377 1
1 682 . 10 1 1 A 54 54 LYS HA H 54 4.324 4.361 -0.037 1
1 691 . 10 1 1 A 54 54 LYS C C 54 176.655 176.420 0.235 1
1 692 . 10 1 1 A 54 54 LYS CA C 54 58.039 57.100 0.939 1
1 693 . 10 1 1 A 54 54 LYS CB C 54 33.974 33.165 0.809 1
1 697 . 10 1 1 A 54 54 LYS N N 54 120.334 121.855 -1.521 1
1 698 . 10 1 1 A 55 55 ASN H H 55 7.235 7.506 -0.271 1
1 699 . 10 1 1 A 55 55 ASN HA H 55 4.888 5.151 -0.263 1
1 704 . 10 1 1 A 55 55 ASN C C 55 175.083 175.268 -0.185 1
1 705 . 10 1 1 A 55 55 ASN CA C 55 52.173 51.907 0.266 1
1 706 . 10 1 1 A 55 55 ASN CB C 55 39.333 41.392 -2.059 1
1 707 . 10 1 1 A 55 55 ASN N N 55 108.018 112.916 -4.898 1
1 709 . 10 1 1 A 56 56 THR H H 56 8.865 8.775 0.090 1
1 710 . 10 1 1 A 56 56 THR HA H 56 4.036 4.145 -0.109 1
1 715 . 10 1 1 A 56 56 THR C C 56 178.637 176.339 2.298 1
1 716 . 10 1 1 A 56 56 THR CA C 56 65.800 65.486 0.314 1
1 717 . 10 1 1 A 56 56 THR CB C 56 68.341 68.524 -0.183 1
1 719 . 10 1 1 A 56 56 THR N N 56 113.338 114.874 -1.536 1
1 720 . 10 1 1 A 57 57 ASP H H 57 8.384 8.374 0.010 1
1 721 . 10 1 1 A 57 57 ASP HA H 57 4.467 4.301 0.166 1
1 724 . 10 1 1 A 57 57 ASP CA C 57 57.400 57.773 -0.373 1
1 725 . 10 1 1 A 57 57 ASP CB C 57 39.938 42.207 -2.269 1
1 726 . 10 1 1 A 57 57 ASP N N 57 124.402 121.689 2.713 1
1 727 . 10 1 1 A 58 58 LYS H H 58 8.266 7.873 0.393 1
1 728 . 10 1 1 A 58 58 LYS HA H 58 4.172 3.962 0.210 1
1 740 . 10 1 1 A 58 58 LYS C C 58 178.378 178.488 -0.110 1
1 741 . 10 1 1 A 58 58 LYS CA C 58 57.695 59.732 -2.037 1
1 742 . 10 1 1 A 58 58 LYS CB C 58 31.763 32.163 -0.400 1
1 746 . 10 1 1 A 58 58 LYS N N 58 120.194 121.000 -0.806 1
1 747 . 10 1 1 A 59 59 LEU H H 59 7.302 7.521 -0.219 1
1 748 . 10 1 1 A 59 59 LEU HA H 59 3.907 3.938 -0.031 1
1 758 . 10 1 1 A 59 59 LEU C C 59 177.909 178.389 -0.480 1
1 759 . 10 1 1 A 59 59 LEU CA C 59 57.979 58.197 -0.218 1
1 760 . 10 1 1 A 59 59 LEU CB C 59 41.727 41.678 0.049 1
1 764 . 10 1 1 A 59 59 LEU N N 59 118.583 120.518 -1.935 1
1 765 . 10 1 1 A 60 60 THR H H 60 8.500 8.155 0.345 1
1 766 . 10 1 1 A 60 60 THR HA H 60 3.845 4.075 -0.230 1
1 771 . 10 1 1 A 60 60 THR C C 60 176.502 177.313 -0.811 1
1 772 . 10 1 1 A 60 60 THR CA C 60 66.691 65.842 0.849 1
1 773 . 10 1 1 A 60 60 THR CB C 60 68.390 68.111 0.279 1
1 775 . 10 1 1 A 60 60 THR N N 60 115.462 111.544 3.918 1
1 776 . 10 1 1 A 61 61 THR H H 61 7.996 7.904 0.092 1
1 777 . 10 1 1 A 61 61 THR HA H 61 4.053 3.927 0.126 1
1 782 . 10 1 1 A 61 61 THR C C 61 176.502 176.532 -0.030 1
1 783 . 10 1 1 A 61 61 THR CA C 61 66.420 67.053 -0.633 1
1 784 . 10 1 1 A 61 61 THR CB C 61 68.549 67.963 0.586 1
1 786 . 10 1 1 A 61 61 THR N N 61 117.698 117.152 0.546 1
1 787 . 10 1 1 A 62 62 LEU H H 62 7.717 8.254 -0.537 1
1 788 . 10 1 1 A 62 62 LEU HA H 62 3.542 3.561 -0.019 1
1 798 . 10 1 1 A 62 62 LEU C C 62 178.612 178.881 -0.269 1
1 799 . 10 1 1 A 62 62 LEU CA C 62 57.988 57.784 0.204 1
1 800 . 10 1 1 A 62 62 LEU CB C 62 40.241 41.138 -0.897 1
1 804 . 10 1 1 A 62 62 LEU N N 62 122.534 120.884 1.650 1
1 805 . 10 1 1 A 63 63 MET H H 63 8.230 8.228 0.002 1
1 806 . 10 1 1 A 63 63 MET HA H 63 3.771 4.153 -0.382 1
1 814 . 10 1 1 A 63 63 MET C C 63 177.674 177.954 -0.280 1
1 815 . 10 1 1 A 63 63 MET CA C 63 60.699 58.771 1.928 1
1 816 . 10 1 1 A 63 63 MET CB C 63 33.024 32.553 0.471 1
1 819 . 10 1 1 A 63 63 MET N N 63 116.719 116.637 0.082 1
1 820 . 10 1 1 A 64 64 ASP H H 64 8.263 8.241 0.022 1
1 821 . 10 1 1 A 64 64 ASP HA H 64 4.401 4.316 0.085 1
1 824 . 10 1 1 A 64 64 ASP C C 64 178.378 178.328 0.050 1
1 825 . 10 1 1 A 64 64 ASP CA C 64 57.400 57.433 -0.033 1
1 826 . 10 1 1 A 64 64 ASP CB C 64 40.703 41.655 -0.952 1
1 827 . 10 1 1 A 64 64 ASP N N 64 118.611 120.636 -2.025 1
1 828 . 10 1 1 A 65 65 LYS H H 65 7.755 8.033 -0.278 1
1 829 . 10 1 1 A 65 65 LYS HA H 65 3.970 4.030 -0.060 1
1 838 . 10 1 1 A 65 65 LYS C C 65 179.922 179.400 0.522 1
1 839 . 10 1 1 A 65 65 LYS CA C 65 59.466 59.327 0.139 1
1 840 . 10 1 1 A 65 65 LYS CB C 65 32.372 32.822 -0.450 1
1 844 . 10 1 1 A 65 65 LYS N N 65 118.452 118.899 -0.447 1
1 845 . 10 1 1 A 66 66 LEU H H 66 7.768 8.243 -0.475 1
1 846 . 10 1 1 A 66 66 LEU HA H 66 4.066 4.169 -0.103 1
1 856 . 10 1 1 A 66 66 LEU C C 66 177.557 179.755 -2.198 1
1 857 . 10 1 1 A 66 66 LEU CA C 66 57.550 57.006 0.544 1
1 858 . 10 1 1 A 66 66 LEU CB C 66 43.218 41.592 1.626 1
1 862 . 10 1 1 A 66 66 LEU N N 66 118.471 119.614 -1.143 1
1 863 . 10 1 1 A 67 67 ARG H H 67 8.017 8.385 -0.368 1
1 864 . 10 1 1 A 67 67 ARG HA H 67 3.855 4.206 -0.351 1
1 872 . 10 1 1 A 67 67 ARG C C 67 177.440 178.092 -0.652 1
1 873 . 10 1 1 A 67 67 ARG CA C 67 58.584 58.669 -0.085 1
1 874 . 10 1 1 A 67 67 ARG CB C 67 30.313 30.085 0.228 1
1 877 . 10 1 1 A 67 67 ARG N N 67 115.702 119.488 -3.786 1
1 879 . 10 1 1 A 68 68 LYS H H 68 7.168 7.423 -0.255 1
1 880 . 10 1 1 A 68 68 LYS HA H 68 4.198 4.331 -0.133 1
1 889 . 10 1 1 A 68 68 LYS C C 68 176.502 177.094 -0.592 1
1 890 . 10 1 1 A 68 68 LYS CA C 68 56.149 57.481 -1.332 1
1 891 . 10 1 1 A 68 68 LYS CB C 68 32.725 32.834 -0.109 1
1 895 . 10 1 1 A 68 68 LYS N N 68 115.213 117.204 -1.991 1
1 896 . 10 1 1 A 69 69 VAL H H 69 7.348 7.270 0.078 1
1 897 . 10 1 1 A 69 69 VAL HA H 69 3.776 4.115 -0.339 1
1 905 . 10 1 1 A 69 69 VAL C C 69 175.916 177.493 -1.577 1
1 906 . 10 1 1 A 69 69 VAL CA C 69 63.134 63.267 -0.133 1
1 907 . 10 1 1 A 69 69 VAL CB C 69 31.075 31.877 -0.802 1
1 910 . 10 1 1 A 69 69 VAL N N 69 123.611 120.357 3.254 1
1 911 . 10 1 1 A 70 70 GLN H H 70 8.632 8.655 -0.023 1
1 912 . 10 1 1 A 70 70 GLN HA H 70 4.072 4.114 -0.042 1
1 919 . 10 1 1 A 70 70 GLN C C 70 176.151 176.929 -0.778 1
1 920 . 10 1 1 A 70 70 GLN CA C 70 57.800 57.937 -0.137 1
1 921 . 10 1 1 A 70 70 GLN CB C 70 28.100 28.186 -0.086 1
1 923 . 10 1 1 A 70 70 GLN N N 70 130.070 125.915 4.155 1
1 925 . 10 1 1 A 71 71 GLY H H 71 8.783 8.158 0.625 1
1 926 . 10 1 1 A 71 71 GLY HA2 H 71 4.598 4.039 0.559 1
1 927 . 10 1 1 A 71 71 GLY HA3 H 71 3.677 4.047 -0.370 1
1 928 . 10 1 1 A 71 71 GLY C C 71 173.924 174.085 -0.161 1
1 929 . 10 1 1 A 71 71 GLY CA C 71 44.941 45.368 -0.427 1
1 930 . 10 1 1 A 71 71 GLY N N 71 113.801 107.735 6.066 1
1 931 . 10 1 1 A 72 72 VAL H H 72 7.805 7.511 0.294 1
1 932 . 10 1 1 A 72 72 VAL HA H 72 3.723 3.960 -0.237 1
1 940 . 10 1 1 A 72 72 VAL C C 72 176.502 175.921 0.581 1
1 941 . 10 1 1 A 72 72 VAL CA C 72 64.020 61.697 2.323 1
1 942 . 10 1 1 A 72 72 VAL CB C 72 32.003 33.391 -1.388 1
1 945 . 10 1 1 A 72 72 VAL N N 72 120.334 120.408 -0.074 1
1 946 . 10 1 1 A 73 73 PHE H H 73 9.522 7.649 1.873 1
1 947 . 10 1 1 A 73 73 PHE HA H 73 5.109 4.843 0.266 1
1 955 . 10 1 1 A 73 73 PHE C C 73 176.502 174.902 1.600 1
1 956 . 10 1 1 A 73 73 PHE CA C 73 56.354 56.744 -0.390 1
1 957 . 10 1 1 A 73 73 PHE CB C 73 39.615 40.409 -0.794 1
1 961 . 10 1 1 A 73 73 PHE N N 73 127.542 121.570 5.972 1
1 962 . 10 1 1 A 74 74 THR H H 74 7.972 7.535 0.437 1
1 963 . 10 1 1 A 74 74 THR HA H 74 4.736 4.893 -0.157 1
1 968 . 10 1 1 A 74 74 THR C C 74 172.400 173.797 -1.397 1
1 969 . 10 1 1 A 74 74 THR CA C 74 60.604 60.014 0.590 1
1 970 . 10 1 1 A 74 74 THR CB C 74 72.576 70.821 1.755 1
1 972 . 10 1 1 A 74 74 THR N N 74 111.809 111.216 0.593 1
1 973 . 10 1 1 A 75 75 VAL H H 75 8.584 8.972 -0.388 1
1 974 . 10 1 1 A 75 75 VAL HA H 75 4.878 4.792 0.086 1
1 982 . 10 1 1 A 75 75 VAL C C 75 174.510 174.910 -0.400 1
1 983 . 10 1 1 A 75 75 VAL CA C 75 61.844 61.592 0.252 1
1 984 . 10 1 1 A 75 75 VAL CB C 75 34.500 34.078 0.422 1
1 987 . 10 1 1 A 75 75 VAL N N 75 122.820 123.193 -0.373 1
1 988 . 10 1 1 A 76 76 GLU H H 76 9.029 8.967 0.062 1
1 989 . 10 1 1 A 76 76 GLU HA H 76 4.861 4.939 -0.078 1
1 994 . 10 1 1 A 76 76 GLU C C 76 174.510 174.733 -0.223 1
1 995 . 10 1 1 A 76 76 GLU CA C 76 53.757 54.277 -0.520 1
1 996 . 10 1 1 A 76 76 GLU CB C 76 34.230 33.292 0.938 1
1 998 . 10 1 1 A 76 76 GLU N N 76 124.572 126.336 -1.764 1
1 999 . 10 1 1 A 77 77 ARG H H 77 8.962 8.589 0.373 1
1 1000 . 10 1 1 A 77 77 ARG HA H 77 4.736 4.780 -0.044 1
1 1008 . 10 1 1 A 77 77 ARG C C 77 176.502 175.592 0.910 1
1 1009 . 10 1 1 A 77 77 ARG CA C 77 55.521 56.281 -0.760 1
1 1010 . 10 1 1 A 77 77 ARG CB C 77 30.893 31.217 -0.324 1
1 1013 . 10 1 1 A 77 77 ARG N N 77 122.875 123.167 -0.292 1
1 1015 . 10 1 1 A 78 78 LEU H H 78 8.252 9.037 -0.785 1
1 1016 . 10 1 1 A 78 78 LEU HA H 78 4.505 4.339 0.166 1
1 1026 . 10 1 1 A 78 78 LEU C C 78 176.737 178.165 -1.428 1
1 1027 . 10 1 1 A 78 78 LEU CA C 78 53.875 54.610 -0.735 1
1 1028 . 10 1 1 A 78 78 LEU CB C 78 43.228 40.790 2.438 1
1 1032 . 10 1 1 A 78 78 LEU N N 78 127.062 128.170 -1.108 1
1 1033 . 10 1 1 A 79 79 SER H H 79 8.635 8.380 0.255 1
1 1034 . 10 1 1 A 79 79 SER HA H 79 4.492 4.345 0.147 1
1 1037 . 10 1 1 A 79 79 SER C C 79 174.041 174.273 -0.232 1
1 1038 . 10 1 1 A 79 79 SER CA C 79 58.465 61.179 -2.714 1
1 1039 . 10 1 1 A 79 79 SER CB C 79 63.993 62.932 1.061 1
1 1040 . 10 1 1 A 79 79 SER N N 79 118.446 119.860 -1.414 1
1 1041 . 10 1 1 A 80 80 ASN H H 80 8.421 7.885 0.536 1
1 1042 . 10 1 1 A 80 80 ASN HA H 80 4.668 4.783 -0.115 1
1 1047 . 10 1 1 A 80 80 ASN C C 80 175.096 174.412 0.684 1
1 1048 . 10 1 1 A 80 80 ASN CA C 80 53.300 52.710 0.590 1
1 1049 . 10 1 1 A 80 80 ASN CB C 80 38.300 38.876 -0.576 1
1 1050 . 10 1 1 A 80 80 ASN N N 80 119.339 119.648 -0.309 1
1 1052 . 10 1 1 A 81 81 LEU H H 81 8.256 8.896 -0.640 1
1 1053 . 10 1 1 A 81 81 LEU HA H 81 4.258 4.623 -0.365 1
1 1063 . 10 1 1 A 81 81 LEU C C 81 177.323 177.985 -0.662 1
1 1064 . 10 1 1 A 81 81 LEU CA C 81 55.263 54.126 1.137 1
1 1065 . 10 1 1 A 81 81 LEU CB C 81 41.756 42.535 -0.779 1
1 1069 . 10 1 1 A 81 81 LEU N N 81 121.238 127.335 -6.097 1
1 1070 . 10 1 1 A 82 82 GLU H H 82 8.282 8.853 -0.571 1
1 1071 . 10 1 1 A 82 82 GLU HA H 82 4.169 4.469 -0.300 1
1 1076 . 10 1 1 A 82 82 GLU C C 82 176.385 176.494 -0.109 1
1 1077 . 10 1 1 A 82 82 GLU CA C 82 56.762 56.762 0.000 1
1 1078 . 10 1 1 A 82 82 GLU CB C 82 29.997 28.967 1.030 1
1 1080 . 10 1 1 A 82 82 GLU N N 82 120.037 120.072 -0.035 1
1 1081 . 10 1 1 A 83 83 HIS H H 83 8.195 8.192 0.003 1
1 1082 . 10 1 1 A 83 83 HIS HA H 83 4.535 4.482 0.053 1
1 1087 . 10 1 1 A 83 83 HIS C C 83 175.081 174.062 1.019 1
1 1088 . 10 1 1 A 83 83 HIS CA C 83 55.951 54.453 1.498 1
1 1089 . 10 1 1 A 83 83 HIS CB C 83 30.366 27.306 3.060 1
1 1 . 11 1 1 A 2 2 THR HA H 2 3.782 4.479 -0.697 1
1 6 . 11 1 1 A 2 2 THR C C 2 171.502 173.358 -1.856 1
1 7 . 11 1 1 A 2 2 THR CA C 2 61.906 60.312 1.594 1
1 8 . 11 1 1 A 2 2 THR CB C 2 69.449 70.885 -1.436 1
1 10 . 11 1 1 A 3 3 ASP H H 3 8.636 8.510 0.126 1
1 11 . 11 1 1 A 3 3 ASP HA H 3 4.803 5.138 -0.335 1
1 14 . 11 1 1 A 3 3 ASP C C 3 175.330 176.175 -0.845 1
1 15 . 11 1 1 A 3 3 ASP CA C 3 54.454 53.849 0.605 1
1 16 . 11 1 1 A 3 3 ASP CB C 3 41.426 41.407 0.019 1
1 17 . 11 1 1 A 3 3 ASP N N 3 125.850 122.315 3.535 1
1 18 . 11 1 1 A 4 4 PHE H H 4 8.608 9.091 -0.483 1
1 19 . 11 1 1 A 4 4 PHE HA H 4 5.042 5.650 -0.608 1
1 27 . 11 1 1 A 4 4 PHE C C 4 172.986 172.613 0.373 1
1 28 . 11 1 1 A 4 4 PHE CA C 4 55.505 55.291 0.214 1
1 29 . 11 1 1 A 4 4 PHE CB C 4 41.288 42.246 -0.958 1
1 33 . 11 1 1 A 4 4 PHE N N 4 117.566 117.384 0.182 1
1 34 . 11 1 1 A 5 5 LEU H H 5 8.498 8.660 -0.162 1
1 35 . 11 1 1 A 5 5 LEU HA H 5 4.532 3.959 0.573 1
1 45 . 11 1 1 A 5 5 LEU C C 5 175.330 174.761 0.569 1
1 46 . 11 1 1 A 5 5 LEU CA C 5 54.222 53.755 0.467 1
1 47 . 11 1 1 A 5 5 LEU CB C 5 42.932 42.726 0.206 1
1 51 . 11 1 1 A 5 5 LEU N N 5 123.329 122.264 1.065 1
1 52 . 11 1 1 A 6 6 ALA H H 6 9.325 8.885 0.440 1
1 53 . 11 1 1 A 6 6 ALA HA H 6 4.769 5.243 -0.474 1
1 57 . 11 1 1 A 6 6 ALA C C 6 174.744 176.620 -1.876 1
1 58 . 11 1 1 A 6 6 ALA CA C 6 50.500 50.644 -0.144 1
1 59 . 11 1 1 A 6 6 ALA CB C 6 23.746 21.713 2.033 1
1 60 . 11 1 1 A 6 6 ALA N N 6 129.530 130.273 -0.743 1
1 61 . 11 1 1 A 7 7 GLY H H 7 8.639 8.593 0.046 1
1 62 . 11 1 1 A 7 7 GLY HA2 H 7 5.721 4.279 1.442 1
1 63 . 11 1 1 A 7 7 GLY HA3 H 7 3.508 4.291 -0.783 1
1 64 . 11 1 1 A 7 7 GLY C C 7 173.221 172.037 1.184 1
1 65 . 11 1 1 A 7 7 GLY CA C 7 45.351 43.958 1.393 1
1 66 . 11 1 1 A 7 7 GLY N N 7 106.888 106.543 0.345 1
1 67 . 11 1 1 A 8 8 ILE H H 8 9.356 9.042 0.314 1
1 68 . 11 1 1 A 8 8 ILE HA H 8 4.957 5.095 -0.138 1
1 78 . 11 1 1 A 8 8 ILE C C 8 172.986 174.017 -1.031 1
1 79 . 11 1 1 A 8 8 ILE CA C 8 59.551 59.493 0.058 1
1 80 . 11 1 1 A 8 8 ILE CB C 8 43.405 42.279 1.126 1
1 84 . 11 1 1 A 8 8 ILE N N 8 122.820 122.615 0.205 1
1 85 . 11 1 1 A 9 9 ARG H H 9 9.364 9.152 0.212 1
1 86 . 11 1 1 A 9 9 ARG HA H 9 5.609 5.359 0.250 1
1 94 . 11 1 1 A 9 9 ARG C C 9 175.096 174.379 0.717 1
1 95 . 11 1 1 A 9 9 ARG CA C 9 54.192 54.497 -0.305 1
1 96 . 11 1 1 A 9 9 ARG CB C 9 33.400 34.015 -0.615 1
1 99 . 11 1 1 A 9 9 ARG N N 9 126.323 126.041 0.282 1
1 101 . 11 1 1 A 10 10 ILE H H 10 9.479 9.210 0.269 1
1 102 . 11 1 1 A 10 10 ILE HA H 10 5.089 5.036 0.053 1
1 112 . 11 1 1 A 10 10 ILE C C 10 174.275 174.721 -0.446 1
1 113 . 11 1 1 A 10 10 ILE CA C 10 60.127 60.388 -0.261 1
1 114 . 11 1 1 A 10 10 ILE CB C 10 42.651 40.898 1.753 1
1 118 . 11 1 1 A 10 10 ILE N N 10 128.583 126.203 2.380 1
1 119 . 11 1 1 A 11 11 VAL H H 11 8.581 8.815 -0.234 1
1 120 . 11 1 1 A 11 11 VAL HA H 11 4.793 5.036 -0.243 1
1 128 . 11 1 1 A 11 11 VAL C C 11 175.827 174.788 1.039 1
1 129 . 11 1 1 A 11 11 VAL CA C 11 60.201 60.415 -0.214 1
1 130 . 11 1 1 A 11 11 VAL CB C 11 34.522 33.353 1.169 1
1 133 . 11 1 1 A 11 11 VAL N N 11 126.323 128.205 -1.882 1
1 134 . 11 1 1 A 12 12 GLY H H 12 7.713 7.188 0.525 1
1 135 . 11 1 1 A 12 12 GLY HA2 H 12 3.434 2.917 0.517 1
1 136 . 11 1 1 A 12 12 GLY HA3 H 12 3.563 3.669 -0.106 1
1 137 . 11 1 1 A 12 12 GLY C C 12 170.332 172.489 -2.157 1
1 138 . 11 1 1 A 12 12 GLY CA C 12 45.842 43.525 2.317 1
1 139 . 11 1 1 A 12 12 GLY N N 12 113.216 113.193 0.023 1
1 140 . 11 1 1 A 13 13 GLU H H 13 8.180 8.349 -0.169 1
1 141 . 11 1 1 A 13 13 GLU HA H 13 4.387 4.355 0.032 1
1 146 . 11 1 1 A 13 13 GLU C C 13 175.409 175.691 -0.282 1
1 147 . 11 1 1 A 13 13 GLU CA C 13 55.865 56.839 -0.974 1
1 148 . 11 1 1 A 13 13 GLU CB C 13 31.102 30.165 0.937 1
1 150 . 11 1 1 A 13 13 GLU N N 13 119.035 118.287 0.748 1
1 151 . 11 1 1 A 14 14 ASP H H 14 8.095 9.147 -1.052 1
1 152 . 11 1 1 A 14 14 ASP HA H 14 4.888 5.014 -0.126 1
1 155 . 11 1 1 A 14 14 ASP C C 14 174.991 175.381 -0.390 1
1 156 . 11 1 1 A 14 14 ASP CA C 14 52.473 53.539 -1.066 1
1 157 . 11 1 1 A 14 14 ASP CB C 14 40.364 40.313 0.051 1
1 158 . 11 1 1 A 14 14 ASP N N 14 122.877 124.300 -1.423 1
1 159 . 11 1 1 A 15 15 LYS H H 15 7.345 8.234 -0.889 1
1 160 . 11 1 1 A 15 15 LYS HA H 15 4.550 4.676 -0.126 1
1 169 . 11 1 1 A 15 15 LYS C C 15 176.385 177.757 -1.372 1
1 170 . 11 1 1 A 15 15 LYS CA C 15 54.554 54.787 -0.233 1
1 171 . 11 1 1 A 15 15 LYS CB C 15 35.403 34.566 0.837 1
1 175 . 11 1 1 A 15 15 LYS N N 15 120.221 126.053 -5.832 1
1 176 . 11 1 1 A 16 16 ASN H H 16 9.025 9.047 -0.022 1
1 177 . 11 1 1 A 16 16 ASN HA H 16 4.386 4.516 -0.130 1
1 182 . 11 1 1 A 16 16 ASN C C 16 175.916 175.957 -0.041 1
1 183 . 11 1 1 A 16 16 ASN CA C 16 54.966 54.960 0.006 1
1 184 . 11 1 1 A 16 16 ASN CB C 16 37.810 37.632 0.178 1
1 185 . 11 1 1 A 16 16 ASN N N 16 119.785 119.524 0.261 1
1 187 . 11 1 1 A 17 17 GLY H H 17 8.780 7.826 0.954 1
1 188 . 11 1 1 A 17 17 GLY HA2 H 17 4.125 4.081 0.044 1
1 189 . 11 1 1 A 17 17 GLY HA3 H 17 3.970 4.094 -0.124 1
1 190 . 11 1 1 A 17 17 GLY C C 17 176.151 175.400 0.751 1
1 191 . 11 1 1 A 17 17 GLY CA C 17 45.996 45.441 0.555 1
1 192 . 11 1 1 A 17 17 GLY N N 17 110.504 107.432 3.072 1
1 193 . 11 1 1 A 18 18 MET H H 18 7.989 7.478 0.511 1
1 194 . 11 1 1 A 18 18 MET HA H 18 4.359 4.200 0.159 1
1 202 . 11 1 1 A 18 18 MET C C 18 178.589 178.168 0.421 1
1 203 . 11 1 1 A 18 18 MET CA C 18 57.405 58.330 -0.925 1
1 204 . 11 1 1 A 18 18 MET CB C 18 31.847 33.154 -1.307 1
1 207 . 11 1 1 A 18 18 MET N N 18 121.860 120.565 1.295 1
1 208 . 11 1 1 A 19 19 THR H H 19 8.807 8.179 0.628 1
1 209 . 11 1 1 A 19 19 THR HA H 19 3.233 3.442 -0.209 1
1 215 . 11 1 1 A 19 19 THR C C 19 177.909 177.098 0.811 1
1 216 . 11 1 1 A 19 19 THR CA C 19 65.516 65.672 -0.156 1
1 217 . 11 1 1 A 19 19 THR CB C 19 67.000 68.137 -1.137 1
1 219 . 11 1 1 A 19 19 THR N N 19 111.351 112.177 -0.826 1
1 220 . 11 1 1 A 20 20 ASN H H 20 7.936 7.976 -0.040 1
1 221 . 11 1 1 A 20 20 ASN HA H 20 4.083 4.444 -0.361 1
1 226 . 11 1 1 A 20 20 ASN C C 20 176.854 177.728 -0.874 1
1 227 . 11 1 1 A 20 20 ASN CA C 20 57.669 55.889 1.780 1
1 228 . 11 1 1 A 20 20 ASN CB C 20 36.625 38.277 -1.652 1
1 229 . 11 1 1 A 20 20 ASN N N 20 121.577 120.706 0.871 1
1 231 . 11 1 1 A 21 21 GLN H H 21 8.433 8.380 0.053 1
1 232 . 11 1 1 A 21 21 GLN HA H 21 4.046 4.033 0.013 1
1 239 . 11 1 1 A 21 21 GLN C C 21 179.550 178.249 1.301 1
1 240 . 11 1 1 A 21 21 GLN CA C 21 59.187 58.521 0.666 1
1 241 . 11 1 1 A 21 21 GLN CB C 21 28.512 27.600 0.912 1
1 243 . 11 1 1 A 21 21 GLN N N 21 120.250 117.531 2.719 1
1 245 . 11 1 1 A 22 22 ILE H H 22 8.779 7.954 0.825 1
1 246 . 11 1 1 A 22 22 ILE HA H 22 3.823 3.568 0.255 1
1 256 . 11 1 1 A 22 22 ILE C C 22 176.854 177.746 -0.892 1
1 257 . 11 1 1 A 22 22 ILE CA C 22 61.611 65.302 -3.691 1
1 258 . 11 1 1 A 22 22 ILE CB C 22 36.935 37.906 -0.971 1
1 262 . 11 1 1 A 22 22 ILE N N 22 119.497 121.397 -1.900 1
1 263 . 11 1 1 A 23 23 THR H H 23 7.478 7.697 -0.219 1
1 264 . 11 1 1 A 23 23 THR HA H 23 3.523 3.906 -0.383 1
1 270 . 11 1 1 A 23 23 THR C C 23 176.502 176.544 -0.042 1
1 271 . 11 1 1 A 23 23 THR CA C 23 67.006 66.337 0.669 1
1 272 . 11 1 1 A 23 23 THR CB C 23 67.305 68.335 -1.030 1
1 274 . 11 1 1 A 23 23 THR N N 23 115.702 116.148 -0.446 1
1 275 . 11 1 1 A 24 24 GLY H H 24 8.011 8.145 -0.134 1
1 276 . 11 1 1 A 24 24 GLY HA2 H 24 3.880 3.703 0.177 1
1 277 . 11 1 1 A 24 24 GLY HA3 H 24 3.672 3.707 -0.035 1
1 278 . 11 1 1 A 24 24 GLY C C 24 176.385 175.481 0.904 1
1 279 . 11 1 1 A 24 24 GLY CA C 24 47.163 47.286 -0.123 1
1 280 . 11 1 1 A 24 24 GLY N N 24 110.691 107.846 2.845 1
1 281 . 11 1 1 A 25 25 VAL H H 25 7.898 8.593 -0.695 1
1 282 . 11 1 1 A 25 25 VAL HA H 25 3.473 3.598 -0.125 1
1 290 . 11 1 1 A 25 25 VAL C C 25 178.286 177.435 0.851 1
1 291 . 11 1 1 A 25 25 VAL CA C 25 66.432 65.706 0.726 1
1 292 . 11 1 1 A 25 25 VAL CB C 25 31.925 31.749 0.176 1
1 295 . 11 1 1 A 25 25 VAL N N 25 123.276 122.459 0.817 1
1 296 . 11 1 1 A 26 26 ILE H H 26 7.646 8.005 -0.359 1
1 297 . 11 1 1 A 26 26 ILE HA H 26 2.698 2.345 0.353 1
1 307 . 11 1 1 A 26 26 ILE C C 26 177.440 178.028 -0.588 1
1 308 . 11 1 1 A 26 26 ILE CA C 26 64.163 64.650 -0.487 1
1 309 . 11 1 1 A 26 26 ILE CB C 26 37.876 37.617 0.259 1
1 313 . 11 1 1 A 26 26 ILE N N 26 116.606 120.338 -3.732 1
1 314 . 11 1 1 A 27 27 SER H H 27 7.783 8.044 -0.261 1
1 315 . 11 1 1 A 27 27 SER HA H 27 3.908 4.180 -0.272 1
1 319 . 11 1 1 A 27 27 SER C C 27 175.330 175.776 -0.446 1
1 320 . 11 1 1 A 27 27 SER CA C 27 61.465 60.988 0.477 1
1 321 . 11 1 1 A 27 27 SER CB C 27 63.388 62.767 0.621 1
1 322 . 11 1 1 A 27 27 SER N N 27 112.932 115.332 -2.400 1
1 323 . 11 1 1 A 28 28 LYS H H 28 7.008 7.298 -0.290 1
1 324 . 11 1 1 A 28 28 LYS HA H 28 4.234 4.248 -0.014 1
1 333 . 11 1 1 A 28 28 LYS C C 28 177.323 177.228 0.095 1
1 334 . 11 1 1 A 28 28 LYS CA C 28 56.161 57.098 -0.937 1
1 335 . 11 1 1 A 28 28 LYS CB C 28 32.742 32.429 0.313 1
1 339 . 11 1 1 A 28 28 LYS N N 28 118.978 119.143 -0.165 1
1 340 . 11 1 1 A 29 29 PHE H H 29 7.691 7.100 0.591 1
1 341 . 11 1 1 A 29 29 PHE HA H 29 4.576 4.525 0.051 1
1 349 . 11 1 1 A 29 29 PHE C C 29 175.841 176.972 -1.131 1
1 350 . 11 1 1 A 29 29 PHE CA C 29 56.366 58.806 -2.440 1
1 351 . 11 1 1 A 29 29 PHE CB C 29 38.723 39.158 -0.435 1
1 355 . 11 1 1 A 29 29 PHE N N 29 120.755 120.005 0.750 1
1 356 . 11 1 1 A 30 30 ASP H H 30 8.388 9.035 -0.647 1
1 357 . 11 1 1 A 30 30 ASP HA H 30 4.650 4.492 0.158 1
1 360 . 11 1 1 A 30 30 ASP C C 30 175.096 176.268 -1.172 1
1 361 . 11 1 1 A 30 30 ASP CA C 30 53.331 56.300 -2.969 1
1 362 . 11 1 1 A 30 30 ASP CB C 30 38.691 40.119 -1.428 1
1 363 . 11 1 1 A 30 30 ASP N N 30 122.230 122.392 -0.162 1
1 364 . 11 1 1 A 31 31 THR H H 31 7.663 7.721 -0.058 1
1 365 . 11 1 1 A 31 31 THR HA H 31 4.558 4.420 0.138 1
1 370 . 11 1 1 A 31 31 THR C C 31 173.297 174.164 -0.867 1
1 371 . 11 1 1 A 31 31 THR CA C 31 59.333 60.927 -1.594 1
1 372 . 11 1 1 A 31 31 THR CB C 31 70.319 70.628 -0.309 1
1 374 . 11 1 1 A 31 31 THR N N 31 112.538 115.731 -3.193 1
1 375 . 11 1 1 A 32 32 ASN H H 32 8.308 8.655 -0.347 1
1 376 . 11 1 1 A 32 32 ASN HA H 32 4.910 5.089 -0.179 1
1 381 . 11 1 1 A 32 32 ASN C C 32 175.447 174.730 0.717 1
1 382 . 11 1 1 A 32 32 ASN CA C 32 52.732 52.877 -0.145 1
1 383 . 11 1 1 A 32 32 ASN CB C 32 39.337 39.482 -0.145 1
1 384 . 11 1 1 A 32 32 ASN N N 32 121.973 122.650 -0.677 1
1 386 . 11 1 1 A 33 33 ILE H H 33 8.320 8.916 -0.596 1
1 387 . 11 1 1 A 33 33 ILE HA H 33 3.846 4.166 -0.320 1
1 397 . 11 1 1 A 33 33 ILE C C 33 175.230 176.306 -1.076 1
1 398 . 11 1 1 A 33 33 ILE CA C 33 63.300 61.799 1.501 1
1 399 . 11 1 1 A 33 33 ILE CB C 33 39.167 36.759 2.408 1
1 403 . 11 1 1 A 33 33 ILE N N 33 125.984 124.849 1.135 1
1 404 . 11 1 1 A 34 34 ARG H H 34 8.858 8.831 0.027 1
1 405 . 11 1 1 A 34 34 ARG HA H 34 4.538 4.322 0.216 1
1 413 . 11 1 1 A 34 34 ARG C C 34 175.565 175.772 -0.207 1
1 414 . 11 1 1 A 34 34 ARG CA C 34 54.900 58.188 -3.288 1
1 415 . 11 1 1 A 34 34 ARG CB C 34 30.275 31.642 -1.367 1
1 418 . 11 1 1 A 34 34 ARG N N 34 126.537 130.305 -3.768 1
1 420 . 11 1 1 A 35 35 THR H H 35 7.698 7.559 0.139 1
1 421 . 11 1 1 A 35 35 THR HA H 35 5.311 5.000 0.311 1
1 426 . 11 1 1 A 35 35 THR C C 35 173.807 172.189 1.618 1
1 427 . 11 1 1 A 35 35 THR CA C 35 61.040 61.019 0.021 1
1 428 . 11 1 1 A 35 35 THR CB C 35 74.055 72.767 1.288 1
1 430 . 11 1 1 A 35 35 THR N N 35 111.895 110.322 1.573 1
1 431 . 11 1 1 A 36 36 ILE H H 36 8.907 9.046 -0.139 1
1 432 . 11 1 1 A 36 36 ILE HA H 36 4.753 5.091 -0.338 1
1 442 . 11 1 1 A 36 36 ILE C C 36 174.275 172.988 1.287 1
1 443 . 11 1 1 A 36 36 ILE CA C 36 61.400 59.612 1.788 1
1 444 . 11 1 1 A 36 36 ILE CB C 36 42.569 42.526 0.043 1
1 448 . 11 1 1 A 36 36 ILE N N 36 123.257 127.692 -4.435 1
1 449 . 11 1 1 A 37 37 VAL H H 37 8.933 8.818 0.115 1
1 450 . 11 1 1 A 37 37 VAL HA H 37 4.903 4.873 0.030 1
1 458 . 11 1 1 A 37 37 VAL C C 37 174.684 174.529 0.155 1
1 459 . 11 1 1 A 37 37 VAL CA C 37 62.100 60.611 1.489 1
1 460 . 11 1 1 A 37 37 VAL CB C 37 34.186 35.358 -1.172 1
1 463 . 11 1 1 A 37 37 VAL N N 37 126.323 128.005 -1.682 1
1 464 . 11 1 1 A 38 38 LEU H H 38 9.751 8.735 1.016 1
1 465 . 11 1 1 A 38 38 LEU HA H 38 5.636 5.039 0.597 1
1 475 . 11 1 1 A 38 38 LEU C C 38 174.510 174.493 0.017 1
1 476 . 11 1 1 A 38 38 LEU CA C 38 53.810 54.332 -0.522 1
1 477 . 11 1 1 A 38 38 LEU CB C 38 45.655 46.135 -0.480 1
1 481 . 11 1 1 A 38 38 LEU N N 38 133.332 127.426 5.906 1
1 482 . 11 1 1 A 39 39 ASN H H 39 8.952 8.838 0.114 1
1 483 . 11 1 1 A 39 39 ASN HA H 39 5.450 5.637 -0.187 1
1 488 . 11 1 1 A 39 39 ASN C C 39 172.869 173.455 -0.586 1
1 489 . 11 1 1 A 39 39 ASN CA C 39 53.137 51.819 1.318 1
1 490 . 11 1 1 A 39 39 ASN CB C 39 43.287 41.357 1.930 1
1 491 . 11 1 1 A 39 39 ASN N N 39 123.262 123.190 0.072 1
1 493 . 11 1 1 A 40 40 ALA H H 40 8.467 9.077 -0.610 1
1 494 . 11 1 1 A 40 40 ALA HA H 40 5.345 5.686 -0.341 1
1 498 . 11 1 1 A 40 40 ALA C C 40 175.447 176.676 -1.229 1
1 499 . 11 1 1 A 40 40 ALA CA C 40 51.370 50.539 0.831 1
1 500 . 11 1 1 A 40 40 ALA CB C 40 20.975 20.973 0.002 1
1 501 . 11 1 1 A 40 40 ALA N N 40 127.058 127.393 -0.335 1
1 502 . 11 1 1 A 41 41 LYS H H 41 8.865 8.697 0.168 1
1 503 . 11 1 1 A 41 41 LYS HA H 41 4.435 4.866 -0.431 1
1 512 . 11 1 1 A 41 41 LYS C C 41 175.565 176.090 -0.525 1
1 513 . 11 1 1 A 41 41 LYS CA C 41 56.736 54.608 2.128 1
1 514 . 11 1 1 A 41 41 LYS CB C 41 34.811 35.739 -0.928 1
1 518 . 11 1 1 A 41 41 LYS N N 41 121.996 121.555 0.441 1
1 519 . 11 1 1 A 42 42 ASP H H 42 9.197 9.357 -0.160 1
1 520 . 11 1 1 A 42 42 ASP HA H 42 4.373 4.399 -0.026 1
1 523 . 11 1 1 A 42 42 ASP C C 42 175.447 175.731 -0.284 1
1 524 . 11 1 1 A 42 42 ASP CA C 42 55.547 55.372 0.175 1
1 525 . 11 1 1 A 42 42 ASP CB C 42 39.485 40.673 -1.188 1
1 526 . 11 1 1 A 42 42 ASP N N 42 122.213 120.002 2.211 1
1 527 . 11 1 1 A 43 43 GLY H H 43 9.306 8.769 0.537 1
1 528 . 11 1 1 A 43 43 GLY HA2 H 43 4.443 4.120 0.323 1
1 529 . 11 1 1 A 43 43 GLY HA3 H 43 3.816 4.129 -0.313 1
1 530 . 11 1 1 A 43 43 GLY C C 43 174.979 173.778 1.201 1
1 531 . 11 1 1 A 43 43 GLY CA C 43 45.661 45.293 0.368 1
1 532 . 11 1 1 A 43 43 GLY N N 43 104.610 106.773 -2.163 1
1 533 . 11 1 1 A 44 44 ILE H H 44 8.117 8.015 0.102 1
1 534 . 11 1 1 A 44 44 ILE HA H 44 5.112 4.870 0.242 1
1 544 . 11 1 1 A 44 44 ILE C C 44 175.213 175.159 0.054 1
1 545 . 11 1 1 A 44 44 ILE CA C 44 59.040 59.293 -0.253 1
1 546 . 11 1 1 A 44 44 ILE CB C 44 42.013 41.655 0.358 1
1 550 . 11 1 1 A 44 44 ILE N N 44 122.284 121.772 0.512 1
1 551 . 11 1 1 A 45 45 PHE H H 45 8.955 8.461 0.494 1
1 552 . 11 1 1 A 45 45 PHE HA H 45 5.740 5.977 -0.237 1
1 560 . 11 1 1 A 45 45 PHE C C 45 172.283 172.969 -0.686 1
1 561 . 11 1 1 A 45 45 PHE CA C 45 55.872 54.977 0.895 1
1 562 . 11 1 1 A 45 45 PHE CB C 45 42.740 42.467 0.273 1
1 566 . 11 1 1 A 45 45 PHE N N 45 121.747 121.336 0.411 1
1 567 . 11 1 1 A 46 46 THR H H 46 8.659 8.992 -0.333 1
1 568 . 11 1 1 A 46 46 THR HA H 46 5.111 5.356 -0.245 1
1 574 . 11 1 1 A 46 46 THR C C 46 174.041 172.267 1.774 1
1 575 . 11 1 1 A 46 46 THR CA C 46 59.750 59.910 -0.160 1
1 576 . 11 1 1 A 46 46 THR CB C 46 71.380 70.764 0.616 1
1 578 . 11 1 1 A 46 46 THR N N 46 113.420 115.388 -1.968 1
1 579 . 11 1 1 A 47 47 CYS H H 47 9.619 9.686 -0.067 1
1 580 . 11 1 1 A 47 47 CYS HA H 47 5.562 5.627 -0.065 1
1 584 . 11 1 1 A 47 47 CYS C C 47 172.283 173.085 -0.802 1
1 585 . 11 1 1 A 47 47 CYS CA C 47 56.776 57.343 -0.567 1
1 586 . 11 1 1 A 47 47 CYS CB C 47 29.112 29.562 -0.450 1
1 587 . 11 1 1 A 47 47 CYS N N 47 124.781 129.934 -5.153 1
1 588 . 11 1 1 A 48 48 ASN H H 48 9.293 9.423 -0.130 1
1 589 . 11 1 1 A 48 48 ASN HA H 48 5.629 5.551 0.078 1
1 594 . 11 1 1 A 48 48 ASN C C 48 173.455 173.842 -0.387 1
1 595 . 11 1 1 A 48 48 ASN CA C 48 51.962 52.455 -0.493 1
1 596 . 11 1 1 A 48 48 ASN CB C 48 40.059 39.600 0.459 1
1 597 . 11 1 1 A 48 48 ASN N N 48 129.520 125.690 3.830 1
1 599 . 11 1 1 A 49 49 LEU H H 49 9.435 9.203 0.232 1
1 600 . 11 1 1 A 49 49 LEU HA H 49 5.158 5.010 0.148 1
1 610 . 11 1 1 A 49 49 LEU C C 49 174.510 174.590 -0.080 1
1 611 . 11 1 1 A 49 49 LEU CA C 49 53.178 53.605 -0.427 1
1 612 . 11 1 1 A 49 49 LEU CB C 49 46.402 44.856 1.546 1
1 616 . 11 1 1 A 49 49 LEU N N 49 125.541 127.109 -1.568 1
1 617 . 11 1 1 A 50 50 MET H H 50 8.978 9.083 -0.105 1
1 618 . 11 1 1 A 50 50 MET HA H 50 5.723 5.411 0.312 1
1 626 . 11 1 1 A 50 50 MET C C 50 175.682 174.908 0.774 1
1 627 . 11 1 1 A 50 50 MET CA C 50 54.073 54.225 -0.152 1
1 628 . 11 1 1 A 50 50 MET CB C 50 33.643 35.159 -1.516 1
1 631 . 11 1 1 A 50 50 MET N N 50 123.131 124.851 -1.720 1
1 632 . 11 1 1 A 51 51 ILE H H 51 9.056 8.747 0.309 1
1 633 . 11 1 1 A 51 51 ILE HA H 51 5.044 5.108 -0.064 1
1 643 . 11 1 1 A 51 51 ILE C C 51 173.689 174.258 -0.569 1
1 644 . 11 1 1 A 51 51 ILE CA C 51 58.495 58.888 -0.393 1
1 645 . 11 1 1 A 51 51 ILE CB C 51 41.447 42.390 -0.943 1
1 649 . 11 1 1 A 51 51 ILE N N 51 118.753 118.553 0.200 1
1 650 . 11 1 1 A 52 52 PHE H H 52 8.324 8.434 -0.110 1
1 651 . 11 1 1 A 52 52 PHE HA H 52 5.345 5.225 0.120 1
1 659 . 11 1 1 A 52 52 PHE C C 52 176.084 175.471 0.613 1
1 660 . 11 1 1 A 52 52 PHE CA C 52 56.478 57.197 -0.719 1
1 661 . 11 1 1 A 52 52 PHE CB C 52 40.520 40.578 -0.058 1
1 665 . 11 1 1 A 52 52 PHE N N 52 120.910 121.098 -0.188 1
1 666 . 11 1 1 A 53 53 VAL H H 53 8.865 8.496 0.369 1
1 667 . 11 1 1 A 53 53 VAL HA H 53 4.663 4.653 0.010 1
1 675 . 11 1 1 A 53 53 VAL C C 53 174.812 175.124 -0.312 1
1 676 . 11 1 1 A 53 53 VAL CA C 53 58.881 58.823 0.058 1
1 677 . 11 1 1 A 53 53 VAL CB C 53 35.707 34.976 0.731 1
1 680 . 11 1 1 A 53 53 VAL N N 53 118.244 115.615 2.629 1
1 681 . 11 1 1 A 54 54 LYS H H 54 8.335 8.784 -0.449 1
1 682 . 11 1 1 A 54 54 LYS HA H 54 4.324 4.533 -0.209 1
1 691 . 11 1 1 A 54 54 LYS C C 54 176.655 176.129 0.526 1
1 692 . 11 1 1 A 54 54 LYS CA C 54 58.039 56.542 1.497 1
1 693 . 11 1 1 A 54 54 LYS CB C 54 33.974 33.161 0.813 1
1 697 . 11 1 1 A 54 54 LYS N N 54 120.334 121.104 -0.770 1
1 698 . 11 1 1 A 55 55 ASN H H 55 7.235 7.515 -0.280 1
1 699 . 11 1 1 A 55 55 ASN HA H 55 4.888 5.176 -0.288 1
1 704 . 11 1 1 A 55 55 ASN C C 55 175.083 175.416 -0.333 1
1 705 . 11 1 1 A 55 55 ASN CA C 55 52.173 52.191 -0.018 1
1 706 . 11 1 1 A 55 55 ASN CB C 55 39.333 41.223 -1.890 1
1 707 . 11 1 1 A 55 55 ASN N N 55 108.018 113.476 -5.458 1
1 709 . 11 1 1 A 56 56 THR H H 56 8.865 8.870 -0.005 1
1 710 . 11 1 1 A 56 56 THR HA H 56 4.036 4.195 -0.159 1
1 715 . 11 1 1 A 56 56 THR C C 56 178.637 175.915 2.722 1
1 716 . 11 1 1 A 56 56 THR CA C 56 65.800 65.512 0.288 1
1 717 . 11 1 1 A 56 56 THR CB C 56 68.341 68.455 -0.114 1
1 719 . 11 1 1 A 56 56 THR N N 56 113.338 115.192 -1.854 1
1 720 . 11 1 1 A 57 57 ASP H H 57 8.384 8.288 0.096 1
1 721 . 11 1 1 A 57 57 ASP HA H 57 4.467 4.355 0.112 1
1 724 . 11 1 1 A 57 57 ASP CA C 57 57.400 57.346 0.054 1
1 725 . 11 1 1 A 57 57 ASP CB C 57 39.938 39.997 -0.059 1
1 726 . 11 1 1 A 57 57 ASP N N 57 124.402 122.667 1.735 1
1 727 . 11 1 1 A 58 58 LYS H H 58 8.266 8.061 0.205 1
1 728 . 11 1 1 A 58 58 LYS HA H 58 4.172 4.007 0.165 1
1 740 . 11 1 1 A 58 58 LYS C C 58 178.378 178.751 -0.373 1
1 741 . 11 1 1 A 58 58 LYS CA C 58 57.695 59.260 -1.565 1
1 742 . 11 1 1 A 58 58 LYS CB C 58 31.763 31.976 -0.213 1
1 746 . 11 1 1 A 58 58 LYS N N 58 120.194 120.919 -0.725 1
1 747 . 11 1 1 A 59 59 LEU H H 59 7.302 7.397 -0.095 1
1 748 . 11 1 1 A 59 59 LEU HA H 59 3.907 3.941 -0.034 1
1 758 . 11 1 1 A 59 59 LEU C C 59 177.909 178.327 -0.418 1
1 759 . 11 1 1 A 59 59 LEU CA C 59 57.979 58.174 -0.195 1
1 760 . 11 1 1 A 59 59 LEU CB C 59 41.727 41.531 0.196 1
1 764 . 11 1 1 A 59 59 LEU N N 59 118.583 120.990 -2.407 1
1 765 . 11 1 1 A 60 60 THR H H 60 8.500 7.984 0.516 1
1 766 . 11 1 1 A 60 60 THR HA H 60 3.845 4.063 -0.218 1
1 771 . 11 1 1 A 60 60 THR C C 60 176.502 177.364 -0.862 1
1 772 . 11 1 1 A 60 60 THR CA C 60 66.691 65.702 0.989 1
1 773 . 11 1 1 A 60 60 THR CB C 60 68.390 68.322 0.068 1
1 775 . 11 1 1 A 60 60 THR N N 60 115.462 111.302 4.160 1
1 776 . 11 1 1 A 61 61 THR H H 61 7.996 8.090 -0.094 1
1 777 . 11 1 1 A 61 61 THR HA H 61 4.053 3.919 0.134 1
1 782 . 11 1 1 A 61 61 THR C C 61 176.502 176.451 0.051 1
1 783 . 11 1 1 A 61 61 THR CA C 61 66.420 66.985 -0.565 1
1 784 . 11 1 1 A 61 61 THR CB C 61 68.549 68.103 0.446 1
1 786 . 11 1 1 A 61 61 THR N N 61 117.698 116.721 0.977 1
1 787 . 11 1 1 A 62 62 LEU H H 62 7.717 8.042 -0.325 1
1 788 . 11 1 1 A 62 62 LEU HA H 62 3.542 3.590 -0.048 1
1 798 . 11 1 1 A 62 62 LEU C C 62 178.612 178.936 -0.324 1
1 799 . 11 1 1 A 62 62 LEU CA C 62 57.988 57.725 0.263 1
1 800 . 11 1 1 A 62 62 LEU CB C 62 40.241 41.123 -0.882 1
1 804 . 11 1 1 A 62 62 LEU N N 62 122.534 120.965 1.569 1
1 805 . 11 1 1 A 63 63 MET H H 63 8.230 8.136 0.094 1
1 806 . 11 1 1 A 63 63 MET HA H 63 3.771 4.186 -0.415 1
1 814 . 11 1 1 A 63 63 MET C C 63 177.674 178.077 -0.403 1
1 815 . 11 1 1 A 63 63 MET CA C 63 60.699 58.380 2.319 1
1 816 . 11 1 1 A 63 63 MET CB C 63 33.024 32.508 0.516 1
1 819 . 11 1 1 A 63 63 MET N N 63 116.719 116.752 -0.033 1
1 820 . 11 1 1 A 64 64 ASP H H 64 8.263 8.260 0.003 1
1 821 . 11 1 1 A 64 64 ASP HA H 64 4.401 4.322 0.079 1
1 824 . 11 1 1 A 64 64 ASP C C 64 178.378 178.438 -0.060 1
1 825 . 11 1 1 A 64 64 ASP CA C 64 57.400 57.279 0.121 1
1 826 . 11 1 1 A 64 64 ASP CB C 64 40.703 41.806 -1.103 1
1 827 . 11 1 1 A 64 64 ASP N N 64 118.611 120.629 -2.018 1
1 828 . 11 1 1 A 65 65 LYS H H 65 7.755 7.828 -0.073 1
1 829 . 11 1 1 A 65 65 LYS HA H 65 3.970 4.062 -0.092 1
1 838 . 11 1 1 A 65 65 LYS C C 65 179.922 179.463 0.459 1
1 839 . 11 1 1 A 65 65 LYS CA C 65 59.466 59.570 -0.104 1
1 840 . 11 1 1 A 65 65 LYS CB C 65 32.372 32.725 -0.353 1
1 844 . 11 1 1 A 65 65 LYS N N 65 118.452 118.537 -0.085 1
1 845 . 11 1 1 A 66 66 LEU H H 66 7.768 8.391 -0.623 1
1 846 . 11 1 1 A 66 66 LEU HA H 66 4.066 4.138 -0.072 1
1 856 . 11 1 1 A 66 66 LEU C C 66 177.557 179.477 -1.920 1
1 857 . 11 1 1 A 66 66 LEU CA C 66 57.550 57.529 0.021 1
1 858 . 11 1 1 A 66 66 LEU CB C 66 43.218 41.292 1.926 1
1 862 . 11 1 1 A 66 66 LEU N N 66 118.471 120.000 -1.529 1
1 863 . 11 1 1 A 67 67 ARG H H 67 8.017 8.241 -0.224 1
1 864 . 11 1 1 A 67 67 ARG HA H 67 3.855 4.246 -0.391 1
1 872 . 11 1 1 A 67 67 ARG C C 67 177.440 177.552 -0.112 1
1 873 . 11 1 1 A 67 67 ARG CA C 67 58.584 58.273 0.311 1
1 874 . 11 1 1 A 67 67 ARG CB C 67 30.313 29.990 0.323 1
1 877 . 11 1 1 A 67 67 ARG N N 67 115.702 118.636 -2.934 1
1 879 . 11 1 1 A 68 68 LYS H H 68 7.168 7.692 -0.524 1
1 880 . 11 1 1 A 68 68 LYS HA H 68 4.198 4.353 -0.155 1
1 889 . 11 1 1 A 68 68 LYS C C 68 176.502 176.728 -0.226 1
1 890 . 11 1 1 A 68 68 LYS CA C 68 56.149 56.965 -0.816 1
1 891 . 11 1 1 A 68 68 LYS CB C 68 32.725 32.724 0.001 1
1 895 . 11 1 1 A 68 68 LYS N N 68 115.213 117.179 -1.966 1
1 896 . 11 1 1 A 69 69 VAL H H 69 7.348 7.338 0.010 1
1 897 . 11 1 1 A 69 69 VAL HA H 69 3.776 4.112 -0.336 1
1 905 . 11 1 1 A 69 69 VAL C C 69 175.916 177.967 -2.051 1
1 906 . 11 1 1 A 69 69 VAL CA C 69 63.134 63.500 -0.366 1
1 907 . 11 1 1 A 69 69 VAL CB C 69 31.075 31.786 -0.711 1
1 910 . 11 1 1 A 69 69 VAL N N 69 123.611 120.282 3.329 1
1 911 . 11 1 1 A 70 70 GLN H H 70 8.632 8.778 -0.146 1
1 912 . 11 1 1 A 70 70 GLN HA H 70 4.072 4.102 -0.030 1
1 919 . 11 1 1 A 70 70 GLN C C 70 176.151 176.808 -0.657 1
1 920 . 11 1 1 A 70 70 GLN CA C 70 57.800 58.212 -0.412 1
1 921 . 11 1 1 A 70 70 GLN CB C 70 28.100 28.110 -0.010 1
1 923 . 11 1 1 A 70 70 GLN N N 70 130.070 125.700 4.370 1
1 925 . 11 1 1 A 71 71 GLY H H 71 8.783 8.253 0.530 1
1 926 . 11 1 1 A 71 71 GLY HA2 H 71 4.598 4.051 0.547 1
1 927 . 11 1 1 A 71 71 GLY HA3 H 71 3.677 4.067 -0.390 1
1 928 . 11 1 1 A 71 71 GLY C C 71 173.924 174.045 -0.121 1
1 929 . 11 1 1 A 71 71 GLY CA C 71 44.941 45.243 -0.302 1
1 930 . 11 1 1 A 71 71 GLY N N 71 113.801 107.291 6.510 1
1 931 . 11 1 1 A 72 72 VAL H H 72 7.805 7.523 0.282 1
1 932 . 11 1 1 A 72 72 VAL HA H 72 3.723 3.810 -0.087 1
1 940 . 11 1 1 A 72 72 VAL C C 72 176.502 176.096 0.406 1
1 941 . 11 1 1 A 72 72 VAL CA C 72 64.020 62.683 1.337 1
1 942 . 11 1 1 A 72 72 VAL CB C 72 32.003 31.844 0.159 1
1 945 . 11 1 1 A 72 72 VAL N N 72 120.334 120.438 -0.104 1
1 946 . 11 1 1 A 73 73 PHE H H 73 9.522 7.385 2.137 1
1 947 . 11 1 1 A 73 73 PHE HA H 73 5.109 4.810 0.299 1
1 955 . 11 1 1 A 73 73 PHE C C 73 176.502 174.692 1.810 1
1 956 . 11 1 1 A 73 73 PHE CA C 73 56.354 56.746 -0.392 1
1 957 . 11 1 1 A 73 73 PHE CB C 73 39.615 40.168 -0.553 1
1 961 . 11 1 1 A 73 73 PHE N N 73 127.542 123.073 4.469 1
1 962 . 11 1 1 A 74 74 THR H H 74 7.972 7.571 0.401 1
1 963 . 11 1 1 A 74 74 THR HA H 74 4.736 4.917 -0.181 1
1 968 . 11 1 1 A 74 74 THR C C 74 172.400 173.551 -1.151 1
1 969 . 11 1 1 A 74 74 THR CA C 74 60.604 60.285 0.319 1
1 970 . 11 1 1 A 74 74 THR CB C 74 72.576 71.217 1.359 1
1 972 . 11 1 1 A 74 74 THR N N 74 111.809 110.510 1.299 1
1 973 . 11 1 1 A 75 75 VAL H H 75 8.584 8.856 -0.272 1
1 974 . 11 1 1 A 75 75 VAL HA H 75 4.878 5.090 -0.212 1
1 982 . 11 1 1 A 75 75 VAL C C 75 174.510 174.680 -0.170 1
1 983 . 11 1 1 A 75 75 VAL CA C 75 61.844 61.596 0.248 1
1 984 . 11 1 1 A 75 75 VAL CB C 75 34.500 34.350 0.150 1
1 987 . 11 1 1 A 75 75 VAL N N 75 122.820 123.736 -0.916 1
1 988 . 11 1 1 A 76 76 GLU H H 76 9.029 9.184 -0.155 1
1 989 . 11 1 1 A 76 76 GLU HA H 76 4.861 4.911 -0.050 1
1 994 . 11 1 1 A 76 76 GLU C C 76 174.510 174.729 -0.219 1
1 995 . 11 1 1 A 76 76 GLU CA C 76 53.757 54.628 -0.871 1
1 996 . 11 1 1 A 76 76 GLU CB C 76 34.230 33.118 1.112 1
1 998 . 11 1 1 A 76 76 GLU N N 76 124.572 126.470 -1.898 1
1 999 . 11 1 1 A 77 77 ARG H H 77 8.962 8.509 0.453 1
1 1000 . 11 1 1 A 77 77 ARG HA H 77 4.736 4.636 0.100 1
1 1008 . 11 1 1 A 77 77 ARG C C 77 176.502 175.539 0.963 1
1 1009 . 11 1 1 A 77 77 ARG CA C 77 55.521 56.201 -0.680 1
1 1010 . 11 1 1 A 77 77 ARG CB C 77 30.893 31.484 -0.591 1
1 1013 . 11 1 1 A 77 77 ARG N N 77 122.875 122.886 -0.011 1
1 1015 . 11 1 1 A 78 78 LEU H H 78 8.252 9.139 -0.887 1
1 1016 . 11 1 1 A 78 78 LEU HA H 78 4.505 4.733 -0.228 1
1 1026 . 11 1 1 A 78 78 LEU C C 78 176.737 176.138 0.599 1
1 1027 . 11 1 1 A 78 78 LEU CA C 78 53.875 53.725 0.150 1
1 1028 . 11 1 1 A 78 78 LEU CB C 78 43.228 42.674 0.554 1
1 1032 . 11 1 1 A 78 78 LEU N N 78 127.062 126.835 0.227 1
1 1033 . 11 1 1 A 79 79 SER H H 79 8.635 8.628 0.007 1
1 1034 . 11 1 1 A 79 79 SER HA H 79 4.492 4.636 -0.144 1
1 1037 . 11 1 1 A 79 79 SER C C 79 174.041 174.510 -0.469 1
1 1038 . 11 1 1 A 79 79 SER CA C 79 58.465 59.995 -1.530 1
1 1039 . 11 1 1 A 79 79 SER CB C 79 63.993 64.338 -0.345 1
1 1040 . 11 1 1 A 79 79 SER N N 79 118.446 118.752 -0.306 1
1 1041 . 11 1 1 A 80 80 ASN H H 80 8.421 7.978 0.443 1
1 1042 . 11 1 1 A 80 80 ASN HA H 80 4.668 4.886 -0.218 1
1 1047 . 11 1 1 A 80 80 ASN C C 80 175.096 174.243 0.853 1
1 1048 . 11 1 1 A 80 80 ASN CA C 80 53.300 52.762 0.538 1
1 1049 . 11 1 1 A 80 80 ASN CB C 80 38.300 38.482 -0.182 1
1 1050 . 11 1 1 A 80 80 ASN N N 80 119.339 119.099 0.240 1
1 1052 . 11 1 1 A 81 81 LEU H H 81 8.256 9.097 -0.841 1
1 1053 . 11 1 1 A 81 81 LEU HA H 81 4.258 5.073 -0.815 1
1 1063 . 11 1 1 A 81 81 LEU C C 81 177.323 177.712 -0.389 1
1 1064 . 11 1 1 A 81 81 LEU CA C 81 55.263 53.341 1.922 1
1 1065 . 11 1 1 A 81 81 LEU CB C 81 41.756 44.369 -2.613 1
1 1069 . 11 1 1 A 81 81 LEU N N 81 121.238 125.500 -4.262 1
1 1070 . 11 1 1 A 82 82 GLU H H 82 8.282 9.078 -0.796 1
1 1071 . 11 1 1 A 82 82 GLU HA H 82 4.169 4.245 -0.076 1
1 1076 . 11 1 1 A 82 82 GLU C C 82 176.385 176.837 -0.452 1
1 1077 . 11 1 1 A 82 82 GLU CA C 82 56.762 57.812 -1.050 1
1 1078 . 11 1 1 A 82 82 GLU CB C 82 29.997 28.899 1.098 1
1 1080 . 11 1 1 A 82 82 GLU N N 82 120.037 121.457 -1.420 1
1 1081 . 11 1 1 A 83 83 HIS H H 83 8.195 8.091 0.104 1
1 1082 . 11 1 1 A 83 83 HIS HA H 83 4.535 4.445 0.090 1
1 1087 . 11 1 1 A 83 83 HIS C C 83 175.081 175.053 0.028 1
1 1088 . 11 1 1 A 83 83 HIS CA C 83 55.951 57.822 -1.871 1
1 1089 . 11 1 1 A 83 83 HIS CB C 83 30.366 30.416 -0.050 1
1 1 . 12 1 1 A 2 2 THR HA H 2 3.782 4.395 -0.613 1
1 6 . 12 1 1 A 2 2 THR C C 2 171.502 173.708 -2.206 1
1 7 . 12 1 1 A 2 2 THR CA C 2 61.906 63.142 -1.236 1
1 8 . 12 1 1 A 2 2 THR CB C 2 69.449 69.936 -0.487 1
1 10 . 12 1 1 A 3 3 ASP H H 3 8.636 8.456 0.180 1
1 11 . 12 1 1 A 3 3 ASP HA H 3 4.803 5.081 -0.278 1
1 14 . 12 1 1 A 3 3 ASP C C 3 175.330 176.421 -1.091 1
1 15 . 12 1 1 A 3 3 ASP CA C 3 54.454 54.066 0.388 1
1 16 . 12 1 1 A 3 3 ASP CB C 3 41.426 41.240 0.186 1
1 17 . 12 1 1 A 3 3 ASP N N 3 125.850 124.144 1.706 1
1 18 . 12 1 1 A 4 4 PHE H H 4 8.608 8.916 -0.308 1
1 19 . 12 1 1 A 4 4 PHE HA H 4 5.042 5.912 -0.870 1
1 27 . 12 1 1 A 4 4 PHE C C 4 172.986 173.217 -0.231 1
1 28 . 12 1 1 A 4 4 PHE CA C 4 55.505 54.994 0.511 1
1 29 . 12 1 1 A 4 4 PHE CB C 4 41.288 42.346 -1.058 1
1 33 . 12 1 1 A 4 4 PHE N N 4 117.566 117.649 -0.083 1
1 34 . 12 1 1 A 5 5 LEU H H 5 8.498 8.658 -0.160 1
1 35 . 12 1 1 A 5 5 LEU HA H 5 4.532 4.042 0.490 1
1 45 . 12 1 1 A 5 5 LEU C C 5 175.330 174.879 0.451 1
1 46 . 12 1 1 A 5 5 LEU CA C 5 54.222 53.821 0.401 1
1 47 . 12 1 1 A 5 5 LEU CB C 5 42.932 42.416 0.516 1
1 51 . 12 1 1 A 5 5 LEU N N 5 123.329 122.509 0.820 1
1 52 . 12 1 1 A 6 6 ALA H H 6 9.325 8.769 0.556 1
1 53 . 12 1 1 A 6 6 ALA HA H 6 4.769 5.176 -0.407 1
1 57 . 12 1 1 A 6 6 ALA C C 6 174.744 176.851 -2.107 1
1 58 . 12 1 1 A 6 6 ALA CA C 6 50.500 50.950 -0.450 1
1 59 . 12 1 1 A 6 6 ALA CB C 6 23.746 21.031 2.715 1
1 60 . 12 1 1 A 6 6 ALA N N 6 129.530 130.526 -0.996 1
1 61 . 12 1 1 A 7 7 GLY H H 7 8.639 8.611 0.028 1
1 62 . 12 1 1 A 7 7 GLY HA2 H 7 5.721 4.253 1.468 1
1 63 . 12 1 1 A 7 7 GLY HA3 H 7 3.508 4.268 -0.760 1
1 64 . 12 1 1 A 7 7 GLY C C 7 173.221 171.744 1.477 1
1 65 . 12 1 1 A 7 7 GLY CA C 7 45.351 44.255 1.096 1
1 66 . 12 1 1 A 7 7 GLY N N 7 106.888 106.455 0.433 1
1 67 . 12 1 1 A 8 8 ILE H H 8 9.356 9.011 0.345 1
1 68 . 12 1 1 A 8 8 ILE HA H 8 4.957 5.050 -0.093 1
1 78 . 12 1 1 A 8 8 ILE C C 8 172.986 174.074 -1.088 1
1 79 . 12 1 1 A 8 8 ILE CA C 8 59.551 59.954 -0.403 1
1 80 . 12 1 1 A 8 8 ILE CB C 8 43.405 41.838 1.567 1
1 84 . 12 1 1 A 8 8 ILE N N 8 122.820 124.453 -1.633 1
1 85 . 12 1 1 A 9 9 ARG H H 9 9.364 9.434 -0.070 1
1 86 . 12 1 1 A 9 9 ARG HA H 9 5.609 4.978 0.631 1
1 94 . 12 1 1 A 9 9 ARG C C 9 175.096 174.784 0.312 1
1 95 . 12 1 1 A 9 9 ARG CA C 9 54.192 54.640 -0.448 1
1 96 . 12 1 1 A 9 9 ARG CB C 9 33.400 32.771 0.629 1
1 99 . 12 1 1 A 9 9 ARG N N 9 126.323 127.866 -1.543 1
1 101 . 12 1 1 A 10 10 ILE H H 10 9.479 9.025 0.454 1
1 102 . 12 1 1 A 10 10 ILE HA H 10 5.089 4.703 0.386 1
1 112 . 12 1 1 A 10 10 ILE C C 10 174.275 174.647 -0.372 1
1 113 . 12 1 1 A 10 10 ILE CA C 10 60.127 59.565 0.562 1
1 114 . 12 1 1 A 10 10 ILE CB C 10 42.651 38.855 3.796 1
1 118 . 12 1 1 A 10 10 ILE N N 10 128.583 128.489 0.094 1
1 119 . 12 1 1 A 11 11 VAL H H 11 8.581 8.842 -0.261 1
1 120 . 12 1 1 A 11 11 VAL HA H 11 4.793 4.935 -0.142 1
1 128 . 12 1 1 A 11 11 VAL C C 11 175.827 174.840 0.987 1
1 129 . 12 1 1 A 11 11 VAL CA C 11 60.201 60.439 -0.238 1
1 130 . 12 1 1 A 11 11 VAL CB C 11 34.522 33.171 1.351 1
1 133 . 12 1 1 A 11 11 VAL N N 11 126.323 128.334 -2.011 1
1 134 . 12 1 1 A 12 12 GLY H H 12 7.713 7.506 0.207 1
1 135 . 12 1 1 A 12 12 GLY HA2 H 12 3.434 3.097 0.337 1
1 136 . 12 1 1 A 12 12 GLY HA3 H 12 3.563 3.765 -0.202 1
1 137 . 12 1 1 A 12 12 GLY C C 12 170.332 172.886 -2.554 1
1 138 . 12 1 1 A 12 12 GLY CA C 12 45.842 43.649 2.193 1
1 139 . 12 1 1 A 12 12 GLY N N 12 113.216 113.359 -0.143 1
1 140 . 12 1 1 A 13 13 GLU H H 13 8.180 8.303 -0.123 1
1 141 . 12 1 1 A 13 13 GLU HA H 13 4.387 4.418 -0.031 1
1 146 . 12 1 1 A 13 13 GLU C C 13 175.409 175.727 -0.318 1
1 147 . 12 1 1 A 13 13 GLU CA C 13 55.865 56.867 -1.002 1
1 148 . 12 1 1 A 13 13 GLU CB C 13 31.102 30.069 1.033 1
1 150 . 12 1 1 A 13 13 GLU N N 13 119.035 118.542 0.493 1
1 151 . 12 1 1 A 14 14 ASP H H 14 8.095 8.865 -0.770 1
1 152 . 12 1 1 A 14 14 ASP HA H 14 4.888 5.099 -0.211 1
1 155 . 12 1 1 A 14 14 ASP C C 14 174.991 175.092 -0.101 1
1 156 . 12 1 1 A 14 14 ASP CA C 14 52.473 54.465 -1.992 1
1 157 . 12 1 1 A 14 14 ASP CB C 14 40.364 41.690 -1.326 1
1 158 . 12 1 1 A 14 14 ASP N N 14 122.877 124.539 -1.662 1
1 159 . 12 1 1 A 15 15 LYS H H 15 7.345 8.772 -1.427 1
1 160 . 12 1 1 A 15 15 LYS HA H 15 4.550 4.829 -0.279 1
1 169 . 12 1 1 A 15 15 LYS C C 15 176.385 176.649 -0.264 1
1 170 . 12 1 1 A 15 15 LYS CA C 15 54.554 54.454 0.100 1
1 171 . 12 1 1 A 15 15 LYS CB C 15 35.403 36.860 -1.457 1
1 175 . 12 1 1 A 15 15 LYS N N 15 120.221 125.319 -5.098 1
1 176 . 12 1 1 A 16 16 ASN H H 16 9.025 8.960 0.065 1
1 177 . 12 1 1 A 16 16 ASN HA H 16 4.386 4.709 -0.323 1
1 182 . 12 1 1 A 16 16 ASN C C 16 175.916 175.864 0.052 1
1 183 . 12 1 1 A 16 16 ASN CA C 16 54.966 52.703 2.263 1
1 184 . 12 1 1 A 16 16 ASN CB C 16 37.810 37.282 0.528 1
1 185 . 12 1 1 A 16 16 ASN N N 16 119.785 119.590 0.195 1
1 187 . 12 1 1 A 17 17 GLY H H 17 8.780 8.039 0.741 1
1 188 . 12 1 1 A 17 17 GLY HA2 H 17 4.125 3.968 0.157 1
1 189 . 12 1 1 A 17 17 GLY HA3 H 17 3.970 3.986 -0.016 1
1 190 . 12 1 1 A 17 17 GLY C C 17 176.151 175.944 0.207 1
1 191 . 12 1 1 A 17 17 GLY CA C 17 45.996 45.464 0.532 1
1 192 . 12 1 1 A 17 17 GLY N N 17 110.504 108.528 1.976 1
1 193 . 12 1 1 A 18 18 MET H H 18 7.989 8.367 -0.378 1
1 194 . 12 1 1 A 18 18 MET HA H 18 4.359 4.201 0.158 1
1 202 . 12 1 1 A 18 18 MET C C 18 178.589 178.133 0.456 1
1 203 . 12 1 1 A 18 18 MET CA C 18 57.405 58.615 -1.210 1
1 204 . 12 1 1 A 18 18 MET CB C 18 31.847 32.601 -0.754 1
1 207 . 12 1 1 A 18 18 MET N N 18 121.860 120.733 1.127 1
1 208 . 12 1 1 A 19 19 THR H H 19 8.807 8.126 0.681 1
1 209 . 12 1 1 A 19 19 THR HA H 19 3.233 3.282 -0.049 1
1 215 . 12 1 1 A 19 19 THR C C 19 177.909 177.006 0.903 1
1 216 . 12 1 1 A 19 19 THR CA C 19 65.516 65.601 -0.085 1
1 217 . 12 1 1 A 19 19 THR CB C 19 67.000 68.020 -1.020 1
1 219 . 12 1 1 A 19 19 THR N N 19 111.351 112.366 -1.015 1
1 220 . 12 1 1 A 20 20 ASN H H 20 7.936 7.964 -0.028 1
1 221 . 12 1 1 A 20 20 ASN HA H 20 4.083 4.468 -0.385 1
1 226 . 12 1 1 A 20 20 ASN C C 20 176.854 177.641 -0.787 1
1 227 . 12 1 1 A 20 20 ASN CA C 20 57.669 55.850 1.819 1
1 228 . 12 1 1 A 20 20 ASN CB C 20 36.625 38.266 -1.641 1
1 229 . 12 1 1 A 20 20 ASN N N 20 121.577 120.627 0.950 1
1 231 . 12 1 1 A 21 21 GLN H H 21 8.433 8.441 -0.008 1
1 232 . 12 1 1 A 21 21 GLN HA H 21 4.046 4.054 -0.008 1
1 239 . 12 1 1 A 21 21 GLN C C 21 179.550 178.383 1.167 1
1 240 . 12 1 1 A 21 21 GLN CA C 21 59.187 58.608 0.579 1
1 241 . 12 1 1 A 21 21 GLN CB C 21 28.512 27.876 0.636 1
1 243 . 12 1 1 A 21 21 GLN N N 21 120.250 117.731 2.519 1
1 245 . 12 1 1 A 22 22 ILE H H 22 8.779 8.063 0.716 1
1 246 . 12 1 1 A 22 22 ILE HA H 22 3.823 3.635 0.188 1
1 256 . 12 1 1 A 22 22 ILE C C 22 176.854 177.733 -0.879 1
1 257 . 12 1 1 A 22 22 ILE CA C 22 61.611 65.455 -3.844 1
1 258 . 12 1 1 A 22 22 ILE CB C 22 36.935 38.015 -1.080 1
1 262 . 12 1 1 A 22 22 ILE N N 22 119.497 121.247 -1.750 1
1 263 . 12 1 1 A 23 23 THR H H 23 7.478 7.795 -0.317 1
1 264 . 12 1 1 A 23 23 THR HA H 23 3.523 3.923 -0.400 1
1 270 . 12 1 1 A 23 23 THR C C 23 176.502 176.749 -0.247 1
1 271 . 12 1 1 A 23 23 THR CA C 23 67.006 66.367 0.639 1
1 272 . 12 1 1 A 23 23 THR CB C 23 67.305 68.352 -1.047 1
1 274 . 12 1 1 A 23 23 THR N N 23 115.702 116.194 -0.492 1
1 275 . 12 1 1 A 24 24 GLY H H 24 8.011 8.238 -0.227 1
1 276 . 12 1 1 A 24 24 GLY HA2 H 24 3.880 3.662 0.218 1
1 277 . 12 1 1 A 24 24 GLY HA3 H 24 3.672 3.670 0.002 1
1 278 . 12 1 1 A 24 24 GLY C C 24 176.385 175.943 0.442 1
1 279 . 12 1 1 A 24 24 GLY CA C 24 47.163 47.178 -0.015 1
1 280 . 12 1 1 A 24 24 GLY N N 24 110.691 108.038 2.653 1
1 281 . 12 1 1 A 25 25 VAL H H 25 7.898 8.216 -0.318 1
1 282 . 12 1 1 A 25 25 VAL HA H 25 3.473 3.629 -0.156 1
1 290 . 12 1 1 A 25 25 VAL C C 25 178.286 177.409 0.877 1
1 291 . 12 1 1 A 25 25 VAL CA C 25 66.432 65.739 0.693 1
1 292 . 12 1 1 A 25 25 VAL CB C 25 31.925 31.725 0.200 1
1 295 . 12 1 1 A 25 25 VAL N N 25 123.276 121.749 1.527 1
1 296 . 12 1 1 A 26 26 ILE H H 26 7.646 7.924 -0.278 1
1 297 . 12 1 1 A 26 26 ILE HA H 26 2.698 2.180 0.518 1
1 307 . 12 1 1 A 26 26 ILE C C 26 177.440 177.939 -0.499 1
1 308 . 12 1 1 A 26 26 ILE CA C 26 64.163 64.672 -0.509 1
1 309 . 12 1 1 A 26 26 ILE CB C 26 37.876 37.513 0.363 1
1 313 . 12 1 1 A 26 26 ILE N N 26 116.606 120.369 -3.763 1
1 314 . 12 1 1 A 27 27 SER H H 27 7.783 7.902 -0.119 1
1 315 . 12 1 1 A 27 27 SER HA H 27 3.908 4.152 -0.244 1
1 319 . 12 1 1 A 27 27 SER C C 27 175.330 175.524 -0.194 1
1 320 . 12 1 1 A 27 27 SER CA C 27 61.465 61.052 0.413 1
1 321 . 12 1 1 A 27 27 SER CB C 27 63.388 62.920 0.468 1
1 322 . 12 1 1 A 27 27 SER N N 27 112.932 115.690 -2.758 1
1 323 . 12 1 1 A 28 28 LYS H H 28 7.008 7.394 -0.386 1
1 324 . 12 1 1 A 28 28 LYS HA H 28 4.234 4.342 -0.108 1
1 333 . 12 1 1 A 28 28 LYS C C 28 177.323 176.891 0.432 1
1 334 . 12 1 1 A 28 28 LYS CA C 28 56.161 55.837 0.324 1
1 335 . 12 1 1 A 28 28 LYS CB C 28 32.742 32.748 -0.006 1
1 339 . 12 1 1 A 28 28 LYS N N 28 118.978 118.800 0.178 1
1 340 . 12 1 1 A 29 29 PHE H H 29 7.691 7.309 0.382 1
1 341 . 12 1 1 A 29 29 PHE HA H 29 4.576 4.699 -0.123 1
1 349 . 12 1 1 A 29 29 PHE C C 29 175.841 175.477 0.364 1
1 350 . 12 1 1 A 29 29 PHE CA C 29 56.366 58.004 -1.638 1
1 351 . 12 1 1 A 29 29 PHE CB C 29 38.723 40.334 -1.611 1
1 355 . 12 1 1 A 29 29 PHE N N 29 120.755 119.552 1.203 1
1 356 . 12 1 1 A 30 30 ASP H H 30 8.388 8.965 -0.577 1
1 357 . 12 1 1 A 30 30 ASP HA H 30 4.650 4.825 -0.175 1
1 360 . 12 1 1 A 30 30 ASP C C 30 175.096 175.323 -0.227 1
1 361 . 12 1 1 A 30 30 ASP CA C 30 53.331 54.658 -1.327 1
1 362 . 12 1 1 A 30 30 ASP CB C 30 38.691 41.550 -2.859 1
1 363 . 12 1 1 A 30 30 ASP N N 30 122.230 120.165 2.065 1
1 364 . 12 1 1 A 31 31 THR H H 31 7.663 7.563 0.100 1
1 365 . 12 1 1 A 31 31 THR HA H 31 4.558 4.898 -0.340 1
1 370 . 12 1 1 A 31 31 THR C C 31 173.297 172.510 0.787 1
1 371 . 12 1 1 A 31 31 THR CA C 31 59.333 59.640 -0.307 1
1 372 . 12 1 1 A 31 31 THR CB C 31 70.319 72.177 -1.858 1
1 374 . 12 1 1 A 31 31 THR N N 31 112.538 114.371 -1.833 1
1 375 . 12 1 1 A 32 32 ASN H H 32 8.308 8.841 -0.533 1
1 376 . 12 1 1 A 32 32 ASN HA H 32 4.910 5.167 -0.257 1
1 381 . 12 1 1 A 32 32 ASN C C 32 175.447 175.169 0.278 1
1 382 . 12 1 1 A 32 32 ASN CA C 32 52.732 52.659 0.073 1
1 383 . 12 1 1 A 32 32 ASN CB C 32 39.337 39.675 -0.338 1
1 384 . 12 1 1 A 32 32 ASN N N 32 121.973 121.871 0.102 1
1 386 . 12 1 1 A 33 33 ILE H H 33 8.320 8.954 -0.634 1
1 387 . 12 1 1 A 33 33 ILE HA H 33 3.846 4.108 -0.262 1
1 397 . 12 1 1 A 33 33 ILE C C 33 175.230 176.019 -0.789 1
1 398 . 12 1 1 A 33 33 ILE CA C 33 63.300 62.465 0.835 1
1 399 . 12 1 1 A 33 33 ILE CB C 33 39.167 37.654 1.513 1
1 403 . 12 1 1 A 33 33 ILE N N 33 125.984 125.486 0.498 1
1 404 . 12 1 1 A 34 34 ARG H H 34 8.858 9.001 -0.143 1
1 405 . 12 1 1 A 34 34 ARG HA H 34 4.538 4.614 -0.076 1
1 413 . 12 1 1 A 34 34 ARG C C 34 175.565 176.468 -0.903 1
1 414 . 12 1 1 A 34 34 ARG CA C 34 54.900 56.975 -2.075 1
1 415 . 12 1 1 A 34 34 ARG CB C 34 30.275 32.143 -1.868 1
1 418 . 12 1 1 A 34 34 ARG N N 34 126.537 128.210 -1.673 1
1 420 . 12 1 1 A 35 35 THR H H 35 7.698 7.422 0.276 1
1 421 . 12 1 1 A 35 35 THR HA H 35 5.311 4.989 0.322 1
1 426 . 12 1 1 A 35 35 THR C C 35 173.807 172.462 1.345 1
1 427 . 12 1 1 A 35 35 THR CA C 35 61.040 61.068 -0.028 1
1 428 . 12 1 1 A 35 35 THR CB C 35 74.055 73.689 0.366 1
1 430 . 12 1 1 A 35 35 THR N N 35 111.895 112.030 -0.135 1
1 431 . 12 1 1 A 36 36 ILE H H 36 8.907 8.572 0.335 1
1 432 . 12 1 1 A 36 36 ILE HA H 36 4.753 5.229 -0.476 1
1 442 . 12 1 1 A 36 36 ILE C C 36 174.275 173.194 1.081 1
1 443 . 12 1 1 A 36 36 ILE CA C 36 61.400 59.934 1.466 1
1 444 . 12 1 1 A 36 36 ILE CB C 36 42.569 42.019 0.550 1
1 448 . 12 1 1 A 36 36 ILE N N 36 123.257 123.465 -0.208 1
1 449 . 12 1 1 A 37 37 VAL H H 37 8.933 8.625 0.308 1
1 450 . 12 1 1 A 37 37 VAL HA H 37 4.903 4.862 0.041 1
1 458 . 12 1 1 A 37 37 VAL C C 37 174.684 174.628 0.056 1
1 459 . 12 1 1 A 37 37 VAL CA C 37 62.100 60.611 1.489 1
1 460 . 12 1 1 A 37 37 VAL CB C 37 34.186 35.465 -1.279 1
1 463 . 12 1 1 A 37 37 VAL N N 37 126.323 128.243 -1.920 1
1 464 . 12 1 1 A 38 38 LEU H H 38 9.751 8.963 0.788 1
1 465 . 12 1 1 A 38 38 LEU HA H 38 5.636 5.225 0.411 1
1 475 . 12 1 1 A 38 38 LEU C C 38 174.510 174.701 -0.191 1
1 476 . 12 1 1 A 38 38 LEU CA C 38 53.810 54.016 -0.206 1
1 477 . 12 1 1 A 38 38 LEU CB C 38 45.655 45.452 0.203 1
1 481 . 12 1 1 A 38 38 LEU N N 38 133.332 128.794 4.538 1
1 482 . 12 1 1 A 39 39 ASN H H 39 8.952 8.749 0.203 1
1 483 . 12 1 1 A 39 39 ASN HA H 39 5.450 5.671 -0.221 1
1 488 . 12 1 1 A 39 39 ASN C C 39 172.869 173.444 -0.575 1
1 489 . 12 1 1 A 39 39 ASN CA C 39 53.137 51.446 1.691 1
1 490 . 12 1 1 A 39 39 ASN CB C 39 43.287 41.562 1.725 1
1 491 . 12 1 1 A 39 39 ASN N N 39 123.262 123.576 -0.314 1
1 493 . 12 1 1 A 40 40 ALA H H 40 8.467 9.045 -0.578 1
1 494 . 12 1 1 A 40 40 ALA HA H 40 5.345 5.765 -0.420 1
1 498 . 12 1 1 A 40 40 ALA C C 40 175.447 176.776 -1.329 1
1 499 . 12 1 1 A 40 40 ALA CA C 40 51.370 50.686 0.684 1
1 500 . 12 1 1 A 40 40 ALA CB C 40 20.975 20.677 0.298 1
1 501 . 12 1 1 A 40 40 ALA N N 40 127.058 126.389 0.669 1
1 502 . 12 1 1 A 41 41 LYS H H 41 8.865 8.825 0.040 1
1 503 . 12 1 1 A 41 41 LYS HA H 41 4.435 4.956 -0.521 1
1 512 . 12 1 1 A 41 41 LYS C C 41 175.565 175.491 0.074 1
1 513 . 12 1 1 A 41 41 LYS CA C 41 56.736 54.741 1.995 1
1 514 . 12 1 1 A 41 41 LYS CB C 41 34.811 36.251 -1.440 1
1 518 . 12 1 1 A 41 41 LYS N N 41 121.996 120.182 1.814 1
1 519 . 12 1 1 A 42 42 ASP H H 42 9.197 9.527 -0.330 1
1 520 . 12 1 1 A 42 42 ASP HA H 42 4.373 4.319 0.054 1
1 523 . 12 1 1 A 42 42 ASP C C 42 175.447 175.462 -0.015 1
1 524 . 12 1 1 A 42 42 ASP CA C 42 55.547 55.097 0.450 1
1 525 . 12 1 1 A 42 42 ASP CB C 42 39.485 39.909 -0.424 1
1 526 . 12 1 1 A 42 42 ASP N N 42 122.213 120.213 2.000 1
1 527 . 12 1 1 A 43 43 GLY H H 43 9.306 8.666 0.640 1
1 528 . 12 1 1 A 43 43 GLY HA2 H 43 4.443 3.886 0.557 1
1 529 . 12 1 1 A 43 43 GLY HA3 H 43 3.816 3.892 -0.076 1
1 530 . 12 1 1 A 43 43 GLY C C 43 174.979 173.949 1.030 1
1 531 . 12 1 1 A 43 43 GLY CA C 43 45.661 45.557 0.104 1
1 532 . 12 1 1 A 43 43 GLY N N 43 104.610 104.427 0.183 1
1 533 . 12 1 1 A 44 44 ILE H H 44 8.117 7.974 0.143 1
1 534 . 12 1 1 A 44 44 ILE HA H 44 5.112 4.908 0.204 1
1 544 . 12 1 1 A 44 44 ILE C C 44 175.213 174.881 0.332 1
1 545 . 12 1 1 A 44 44 ILE CA C 44 59.040 59.342 -0.302 1
1 546 . 12 1 1 A 44 44 ILE CB C 44 42.013 41.701 0.312 1
1 550 . 12 1 1 A 44 44 ILE N N 44 122.284 121.381 0.903 1
1 551 . 12 1 1 A 45 45 PHE H H 45 8.955 8.578 0.377 1
1 552 . 12 1 1 A 45 45 PHE HA H 45 5.740 6.010 -0.270 1
1 560 . 12 1 1 A 45 45 PHE C C 45 172.283 172.643 -0.360 1
1 561 . 12 1 1 A 45 45 PHE CA C 45 55.872 54.940 0.932 1
1 562 . 12 1 1 A 45 45 PHE CB C 45 42.740 42.590 0.150 1
1 566 . 12 1 1 A 45 45 PHE N N 45 121.747 120.891 0.856 1
1 567 . 12 1 1 A 46 46 THR H H 46 8.659 8.884 -0.225 1
1 568 . 12 1 1 A 46 46 THR HA H 46 5.111 5.378 -0.267 1
1 574 . 12 1 1 A 46 46 THR C C 46 174.041 173.067 0.974 1
1 575 . 12 1 1 A 46 46 THR CA C 46 59.750 60.181 -0.431 1
1 576 . 12 1 1 A 46 46 THR CB C 46 71.380 70.759 0.621 1
1 578 . 12 1 1 A 46 46 THR N N 46 113.420 116.858 -3.438 1
1 579 . 12 1 1 A 47 47 CYS H H 47 9.619 9.382 0.237 1
1 580 . 12 1 1 A 47 47 CYS HA H 47 5.562 5.246 0.316 1
1 584 . 12 1 1 A 47 47 CYS C C 47 172.283 173.364 -1.081 1
1 585 . 12 1 1 A 47 47 CYS CA C 47 56.776 57.927 -1.151 1
1 586 . 12 1 1 A 47 47 CYS CB C 47 29.112 28.095 1.017 1
1 587 . 12 1 1 A 47 47 CYS N N 47 124.781 129.761 -4.980 1
1 588 . 12 1 1 A 48 48 ASN H H 48 9.293 9.263 0.030 1
1 589 . 12 1 1 A 48 48 ASN HA H 48 5.629 5.337 0.292 1
1 594 . 12 1 1 A 48 48 ASN C C 48 173.455 174.041 -0.586 1
1 595 . 12 1 1 A 48 48 ASN CA C 48 51.962 52.854 -0.892 1
1 596 . 12 1 1 A 48 48 ASN CB C 48 40.059 39.034 1.025 1
1 597 . 12 1 1 A 48 48 ASN N N 48 129.520 125.990 3.530 1
1 599 . 12 1 1 A 49 49 LEU H H 49 9.435 9.185 0.250 1
1 600 . 12 1 1 A 49 49 LEU HA H 49 5.158 4.958 0.200 1
1 610 . 12 1 1 A 49 49 LEU C C 49 174.510 174.548 -0.038 1
1 611 . 12 1 1 A 49 49 LEU CA C 49 53.178 53.648 -0.470 1
1 612 . 12 1 1 A 49 49 LEU CB C 49 46.402 44.605 1.797 1
1 616 . 12 1 1 A 49 49 LEU N N 49 125.541 127.352 -1.811 1
1 617 . 12 1 1 A 50 50 MET H H 50 8.978 9.015 -0.037 1
1 618 . 12 1 1 A 50 50 MET HA H 50 5.723 5.454 0.269 1
1 626 . 12 1 1 A 50 50 MET C C 50 175.682 174.869 0.813 1
1 627 . 12 1 1 A 50 50 MET CA C 50 54.073 54.171 -0.098 1
1 628 . 12 1 1 A 50 50 MET CB C 50 33.643 34.628 -0.985 1
1 631 . 12 1 1 A 50 50 MET N N 50 123.131 125.080 -1.949 1
1 632 . 12 1 1 A 51 51 ILE H H 51 9.056 8.777 0.279 1
1 633 . 12 1 1 A 51 51 ILE HA H 51 5.044 4.980 0.064 1
1 643 . 12 1 1 A 51 51 ILE C C 51 173.689 174.095 -0.406 1
1 644 . 12 1 1 A 51 51 ILE CA C 51 58.495 59.041 -0.546 1
1 645 . 12 1 1 A 51 51 ILE CB C 51 41.447 42.225 -0.778 1
1 649 . 12 1 1 A 51 51 ILE N N 51 118.753 118.471 0.282 1
1 650 . 12 1 1 A 52 52 PHE H H 52 8.324 8.566 -0.242 1
1 651 . 12 1 1 A 52 52 PHE HA H 52 5.345 5.196 0.149 1
1 659 . 12 1 1 A 52 52 PHE C C 52 176.084 175.692 0.392 1
1 660 . 12 1 1 A 52 52 PHE CA C 52 56.478 57.230 -0.752 1
1 661 . 12 1 1 A 52 52 PHE CB C 52 40.520 40.508 0.012 1
1 665 . 12 1 1 A 52 52 PHE N N 52 120.910 122.157 -1.247 1
1 666 . 12 1 1 A 53 53 VAL H H 53 8.865 8.389 0.476 1
1 667 . 12 1 1 A 53 53 VAL HA H 53 4.663 4.678 -0.015 1
1 675 . 12 1 1 A 53 53 VAL C C 53 174.812 175.975 -1.163 1
1 676 . 12 1 1 A 53 53 VAL CA C 53 58.881 58.999 -0.118 1
1 677 . 12 1 1 A 53 53 VAL CB C 53 35.707 34.765 0.942 1
1 680 . 12 1 1 A 53 53 VAL N N 53 118.244 116.316 1.928 1
1 681 . 12 1 1 A 54 54 LYS H H 54 8.335 8.609 -0.274 1
1 682 . 12 1 1 A 54 54 LYS HA H 54 4.324 4.195 0.129 1
1 691 . 12 1 1 A 54 54 LYS C C 54 176.655 176.474 0.181 1
1 692 . 12 1 1 A 54 54 LYS CA C 54 58.039 57.935 0.104 1
1 693 . 12 1 1 A 54 54 LYS CB C 54 33.974 32.605 1.369 1
1 697 . 12 1 1 A 54 54 LYS N N 54 120.334 121.194 -0.860 1
1 698 . 12 1 1 A 55 55 ASN H H 55 7.235 7.675 -0.440 1
1 699 . 12 1 1 A 55 55 ASN HA H 55 4.888 5.313 -0.425 1
1 704 . 12 1 1 A 55 55 ASN C C 55 175.083 175.406 -0.323 1
1 705 . 12 1 1 A 55 55 ASN CA C 55 52.173 52.035 0.138 1
1 706 . 12 1 1 A 55 55 ASN CB C 55 39.333 40.638 -1.305 1
1 707 . 12 1 1 A 55 55 ASN N N 55 108.018 114.835 -6.817 1
1 709 . 12 1 1 A 56 56 THR H H 56 8.865 8.630 0.235 1
1 710 . 12 1 1 A 56 56 THR HA H 56 4.036 4.261 -0.225 1
1 715 . 12 1 1 A 56 56 THR C C 56 178.637 176.406 2.231 1
1 716 . 12 1 1 A 56 56 THR CA C 56 65.800 65.596 0.204 1
1 717 . 12 1 1 A 56 56 THR CB C 56 68.341 68.443 -0.102 1
1 719 . 12 1 1 A 56 56 THR N N 56 113.338 112.777 0.561 1
1 720 . 12 1 1 A 57 57 ASP H H 57 8.384 8.277 0.107 1
1 721 . 12 1 1 A 57 57 ASP HA H 57 4.467 4.298 0.169 1
1 724 . 12 1 1 A 57 57 ASP CA C 57 57.400 57.925 -0.525 1
1 725 . 12 1 1 A 57 57 ASP CB C 57 39.938 41.228 -1.290 1
1 726 . 12 1 1 A 57 57 ASP N N 57 124.402 121.805 2.597 1
1 727 . 12 1 1 A 58 58 LYS H H 58 8.266 8.302 -0.036 1
1 728 . 12 1 1 A 58 58 LYS HA H 58 4.172 4.045 0.127 1
1 740 . 12 1 1 A 58 58 LYS C C 58 178.378 178.605 -0.227 1
1 741 . 12 1 1 A 58 58 LYS CA C 58 57.695 58.687 -0.992 1
1 742 . 12 1 1 A 58 58 LYS CB C 58 31.763 32.176 -0.413 1
1 746 . 12 1 1 A 58 58 LYS N N 58 120.194 119.834 0.360 1
1 747 . 12 1 1 A 59 59 LEU H H 59 7.302 7.280 0.022 1
1 748 . 12 1 1 A 59 59 LEU HA H 59 3.907 3.970 -0.063 1
1 758 . 12 1 1 A 59 59 LEU C C 59 177.909 178.529 -0.620 1
1 759 . 12 1 1 A 59 59 LEU CA C 59 57.979 57.948 0.031 1
1 760 . 12 1 1 A 59 59 LEU CB C 59 41.727 41.814 -0.087 1
1 764 . 12 1 1 A 59 59 LEU N N 59 118.583 120.841 -2.258 1
1 765 . 12 1 1 A 60 60 THR H H 60 8.500 8.117 0.383 1
1 766 . 12 1 1 A 60 60 THR HA H 60 3.845 4.100 -0.255 1
1 771 . 12 1 1 A 60 60 THR C C 60 176.502 177.243 -0.741 1
1 772 . 12 1 1 A 60 60 THR CA C 60 66.691 65.563 1.128 1
1 773 . 12 1 1 A 60 60 THR CB C 60 68.390 68.378 0.012 1
1 775 . 12 1 1 A 60 60 THR N N 60 115.462 111.968 3.494 1
1 776 . 12 1 1 A 61 61 THR H H 61 7.996 8.116 -0.120 1
1 777 . 12 1 1 A 61 61 THR HA H 61 4.053 3.933 0.120 1
1 782 . 12 1 1 A 61 61 THR C C 61 176.502 176.182 0.320 1
1 783 . 12 1 1 A 61 61 THR CA C 61 66.420 66.921 -0.501 1
1 784 . 12 1 1 A 61 61 THR CB C 61 68.549 68.516 0.033 1
1 786 . 12 1 1 A 61 61 THR N N 61 117.698 116.590 1.108 1
1 787 . 12 1 1 A 62 62 LEU H H 62 7.717 7.847 -0.130 1
1 788 . 12 1 1 A 62 62 LEU HA H 62 3.542 3.638 -0.096 1
1 798 . 12 1 1 A 62 62 LEU C C 62 178.612 179.191 -0.579 1
1 799 . 12 1 1 A 62 62 LEU CA C 62 57.988 57.648 0.340 1
1 800 . 12 1 1 A 62 62 LEU CB C 62 40.241 41.064 -0.823 1
1 804 . 12 1 1 A 62 62 LEU N N 62 122.534 120.086 2.448 1
1 805 . 12 1 1 A 63 63 MET H H 63 8.230 7.942 0.288 1
1 806 . 12 1 1 A 63 63 MET HA H 63 3.771 4.069 -0.298 1
1 814 . 12 1 1 A 63 63 MET C C 63 177.674 178.185 -0.511 1
1 815 . 12 1 1 A 63 63 MET CA C 63 60.699 58.905 1.794 1
1 816 . 12 1 1 A 63 63 MET CB C 63 33.024 32.373 0.651 1
1 819 . 12 1 1 A 63 63 MET N N 63 116.719 118.029 -1.310 1
1 820 . 12 1 1 A 64 64 ASP H H 64 8.263 7.970 0.293 1
1 821 . 12 1 1 A 64 64 ASP HA H 64 4.401 4.337 0.064 1
1 824 . 12 1 1 A 64 64 ASP C C 64 178.378 178.421 -0.043 1
1 825 . 12 1 1 A 64 64 ASP CA C 64 57.400 57.151 0.249 1
1 826 . 12 1 1 A 64 64 ASP CB C 64 40.703 41.956 -1.253 1
1 827 . 12 1 1 A 64 64 ASP N N 64 118.611 120.508 -1.897 1
1 828 . 12 1 1 A 65 65 LYS H H 65 7.755 7.704 0.051 1
1 829 . 12 1 1 A 65 65 LYS HA H 65 3.970 4.112 -0.142 1
1 838 . 12 1 1 A 65 65 LYS C C 65 179.922 179.502 0.420 1
1 839 . 12 1 1 A 65 65 LYS CA C 65 59.466 59.688 -0.222 1
1 840 . 12 1 1 A 65 65 LYS CB C 65 32.372 32.641 -0.269 1
1 844 . 12 1 1 A 65 65 LYS N N 65 118.452 118.609 -0.157 1
1 845 . 12 1 1 A 66 66 LEU H H 66 7.768 8.322 -0.554 1
1 846 . 12 1 1 A 66 66 LEU HA H 66 4.066 4.165 -0.099 1
1 856 . 12 1 1 A 66 66 LEU C C 66 177.557 179.316 -1.759 1
1 857 . 12 1 1 A 66 66 LEU CA C 66 57.550 57.128 0.422 1
1 858 . 12 1 1 A 66 66 LEU CB C 66 43.218 41.283 1.935 1
1 862 . 12 1 1 A 66 66 LEU N N 66 118.471 119.794 -1.323 1
1 863 . 12 1 1 A 67 67 ARG H H 67 8.017 8.489 -0.472 1
1 864 . 12 1 1 A 67 67 ARG HA H 67 3.855 4.245 -0.390 1
1 872 . 12 1 1 A 67 67 ARG C C 67 177.440 177.653 -0.213 1
1 873 . 12 1 1 A 67 67 ARG CA C 67 58.584 58.178 0.406 1
1 874 . 12 1 1 A 67 67 ARG CB C 67 30.313 29.840 0.473 1
1 877 . 12 1 1 A 67 67 ARG N N 67 115.702 119.464 -3.762 1
1 879 . 12 1 1 A 68 68 LYS H H 68 7.168 7.765 -0.597 1
1 880 . 12 1 1 A 68 68 LYS HA H 68 4.198 4.331 -0.133 1
1 889 . 12 1 1 A 68 68 LYS C C 68 176.502 176.701 -0.199 1
1 890 . 12 1 1 A 68 68 LYS CA C 68 56.149 57.252 -1.103 1
1 891 . 12 1 1 A 68 68 LYS CB C 68 32.725 32.461 0.264 1
1 895 . 12 1 1 A 68 68 LYS N N 68 115.213 117.404 -2.191 1
1 896 . 12 1 1 A 69 69 VAL H H 69 7.348 7.499 -0.151 1
1 897 . 12 1 1 A 69 69 VAL HA H 69 3.776 4.216 -0.440 1
1 905 . 12 1 1 A 69 69 VAL C C 69 175.916 176.991 -1.075 1
1 906 . 12 1 1 A 69 69 VAL CA C 69 63.134 62.283 0.851 1
1 907 . 12 1 1 A 69 69 VAL CB C 69 31.075 31.641 -0.566 1
1 910 . 12 1 1 A 69 69 VAL N N 69 123.611 120.355 3.256 1
1 911 . 12 1 1 A 70 70 GLN H H 70 8.632 8.672 -0.040 1
1 912 . 12 1 1 A 70 70 GLN HA H 70 4.072 4.121 -0.049 1
1 919 . 12 1 1 A 70 70 GLN C C 70 176.151 177.616 -1.465 1
1 920 . 12 1 1 A 70 70 GLN CA C 70 57.800 57.938 -0.138 1
1 921 . 12 1 1 A 70 70 GLN CB C 70 28.100 28.185 -0.085 1
1 923 . 12 1 1 A 70 70 GLN N N 70 130.070 127.238 2.832 1
1 925 . 12 1 1 A 71 71 GLY H H 71 8.783 8.146 0.637 1
1 926 . 12 1 1 A 71 71 GLY HA2 H 71 4.598 4.024 0.574 1
1 927 . 12 1 1 A 71 71 GLY HA3 H 71 3.677 4.046 -0.369 1
1 928 . 12 1 1 A 71 71 GLY C C 71 173.924 174.220 -0.296 1
1 929 . 12 1 1 A 71 71 GLY CA C 71 44.941 45.751 -0.810 1
1 930 . 12 1 1 A 71 71 GLY N N 71 113.801 108.241 5.560 1
1 931 . 12 1 1 A 72 72 VAL H H 72 7.805 7.608 0.197 1
1 932 . 12 1 1 A 72 72 VAL HA H 72 3.723 3.732 -0.009 1
1 940 . 12 1 1 A 72 72 VAL C C 72 176.502 176.108 0.394 1
1 941 . 12 1 1 A 72 72 VAL CA C 72 64.020 62.366 1.654 1
1 942 . 12 1 1 A 72 72 VAL CB C 72 32.003 32.462 -0.459 1
1 945 . 12 1 1 A 72 72 VAL N N 72 120.334 120.492 -0.158 1
1 946 . 12 1 1 A 73 73 PHE H H 73 9.522 7.580 1.942 1
1 947 . 12 1 1 A 73 73 PHE HA H 73 5.109 4.863 0.246 1
1 955 . 12 1 1 A 73 73 PHE C C 73 176.502 174.665 1.837 1
1 956 . 12 1 1 A 73 73 PHE CA C 73 56.354 56.663 -0.309 1
1 957 . 12 1 1 A 73 73 PHE CB C 73 39.615 40.276 -0.661 1
1 961 . 12 1 1 A 73 73 PHE N N 73 127.542 122.269 5.273 1
1 962 . 12 1 1 A 74 74 THR H H 74 7.972 7.543 0.429 1
1 963 . 12 1 1 A 74 74 THR HA H 74 4.736 4.884 -0.148 1
1 968 . 12 1 1 A 74 74 THR C C 74 172.400 173.554 -1.154 1
1 969 . 12 1 1 A 74 74 THR CA C 74 60.604 60.761 -0.157 1
1 970 . 12 1 1 A 74 74 THR CB C 74 72.576 71.519 1.057 1
1 972 . 12 1 1 A 74 74 THR N N 74 111.809 110.305 1.504 1
1 973 . 12 1 1 A 75 75 VAL H H 75 8.584 9.058 -0.474 1
1 974 . 12 1 1 A 75 75 VAL HA H 75 4.878 4.666 0.212 1
1 982 . 12 1 1 A 75 75 VAL C C 75 174.510 174.927 -0.417 1
1 983 . 12 1 1 A 75 75 VAL CA C 75 61.844 61.718 0.126 1
1 984 . 12 1 1 A 75 75 VAL CB C 75 34.500 33.695 0.805 1
1 987 . 12 1 1 A 75 75 VAL N N 75 122.820 125.461 -2.641 1
1 988 . 12 1 1 A 76 76 GLU H H 76 9.029 8.902 0.127 1
1 989 . 12 1 1 A 76 76 GLU HA H 76 4.861 4.955 -0.094 1
1 994 . 12 1 1 A 76 76 GLU C C 76 174.510 174.332 0.178 1
1 995 . 12 1 1 A 76 76 GLU CA C 76 53.757 54.320 -0.563 1
1 996 . 12 1 1 A 76 76 GLU CB C 76 34.230 33.489 0.741 1
1 998 . 12 1 1 A 76 76 GLU N N 76 124.572 126.049 -1.477 1
1 999 . 12 1 1 A 77 77 ARG H H 77 8.962 8.525 0.437 1
1 1000 . 12 1 1 A 77 77 ARG HA H 77 4.736 4.673 0.063 1
1 1008 . 12 1 1 A 77 77 ARG C C 77 176.502 175.778 0.724 1
1 1009 . 12 1 1 A 77 77 ARG CA C 77 55.521 56.085 -0.564 1
1 1010 . 12 1 1 A 77 77 ARG CB C 77 30.893 31.398 -0.505 1
1 1013 . 12 1 1 A 77 77 ARG N N 77 122.875 123.263 -0.388 1
1 1015 . 12 1 1 A 78 78 LEU H H 78 8.252 9.247 -0.995 1
1 1016 . 12 1 1 A 78 78 LEU HA H 78 4.505 4.553 -0.048 1
1 1026 . 12 1 1 A 78 78 LEU C C 78 176.737 178.070 -1.333 1
1 1027 . 12 1 1 A 78 78 LEU CA C 78 53.875 54.318 -0.443 1
1 1028 . 12 1 1 A 78 78 LEU CB C 78 43.228 41.254 1.974 1
1 1032 . 12 1 1 A 78 78 LEU N N 78 127.062 127.346 -0.284 1
1 1033 . 12 1 1 A 79 79 SER H H 79 8.635 8.860 -0.225 1
1 1034 . 12 1 1 A 79 79 SER HA H 79 4.492 4.375 0.117 1
1 1037 . 12 1 1 A 79 79 SER C C 79 174.041 174.694 -0.653 1
1 1038 . 12 1 1 A 79 79 SER CA C 79 58.465 61.258 -2.793 1
1 1039 . 12 1 1 A 79 79 SER CB C 79 63.993 63.086 0.907 1
1 1040 . 12 1 1 A 79 79 SER N N 79 118.446 119.801 -1.355 1
1 1041 . 12 1 1 A 80 80 ASN H H 80 8.421 8.016 0.405 1
1 1042 . 12 1 1 A 80 80 ASN HA H 80 4.668 4.896 -0.228 1
1 1047 . 12 1 1 A 80 80 ASN C C 80 175.096 174.404 0.692 1
1 1048 . 12 1 1 A 80 80 ASN CA C 80 53.300 53.012 0.288 1
1 1049 . 12 1 1 A 80 80 ASN CB C 80 38.300 39.046 -0.746 1
1 1050 . 12 1 1 A 80 80 ASN N N 80 119.339 118.727 0.612 1
1 1052 . 12 1 1 A 81 81 LEU H H 81 8.256 9.228 -0.972 1
1 1053 . 12 1 1 A 81 81 LEU HA H 81 4.258 5.073 -0.815 1
1 1063 . 12 1 1 A 81 81 LEU C C 81 177.323 175.996 1.327 1
1 1064 . 12 1 1 A 81 81 LEU CA C 81 55.263 53.406 1.857 1
1 1065 . 12 1 1 A 81 81 LEU CB C 81 41.756 44.366 -2.610 1
1 1069 . 12 1 1 A 81 81 LEU N N 81 121.238 125.780 -4.542 1
1 1070 . 12 1 1 A 82 82 GLU H H 82 8.282 8.903 -0.621 1
1 1071 . 12 1 1 A 82 82 GLU HA H 82 4.169 4.829 -0.660 1
1 1076 . 12 1 1 A 82 82 GLU C C 82 176.385 176.845 -0.460 1
1 1077 . 12 1 1 A 82 82 GLU CA C 82 56.762 55.814 0.948 1
1 1078 . 12 1 1 A 82 82 GLU CB C 82 29.997 30.471 -0.474 1
1 1080 . 12 1 1 A 82 82 GLU N N 82 120.037 117.042 2.995 1
1 1081 . 12 1 1 A 83 83 HIS H H 83 8.195 7.846 0.349 1
1 1082 . 12 1 1 A 83 83 HIS HA H 83 4.535 4.568 -0.033 1
1 1087 . 12 1 1 A 83 83 HIS C C 83 175.081 175.471 -0.390 1
1 1088 . 12 1 1 A 83 83 HIS CA C 83 55.951 56.207 -0.256 1
1 1089 . 12 1 1 A 83 83 HIS CB C 83 30.366 30.891 -0.525 1
1 1 . 13 1 1 A 2 2 THR HA H 2 3.782 4.472 -0.690 1
1 6 . 13 1 1 A 2 2 THR C C 2 171.502 173.530 -2.028 1
1 7 . 13 1 1 A 2 2 THR CA C 2 61.906 62.116 -0.210 1
1 8 . 13 1 1 A 2 2 THR CB C 2 69.449 67.155 2.294 1
1 10 . 13 1 1 A 3 3 ASP H H 3 8.636 8.519 0.117 1
1 11 . 13 1 1 A 3 3 ASP HA H 3 4.803 5.530 -0.727 1
1 14 . 13 1 1 A 3 3 ASP C C 3 175.330 176.226 -0.896 1
1 15 . 13 1 1 A 3 3 ASP CA C 3 54.454 54.505 -0.051 1
1 16 . 13 1 1 A 3 3 ASP CB C 3 41.426 41.703 -0.277 1
1 17 . 13 1 1 A 3 3 ASP N N 3 125.850 126.877 -1.027 1
1 18 . 13 1 1 A 4 4 PHE H H 4 8.608 8.522 0.086 1
1 19 . 13 1 1 A 4 4 PHE HA H 4 5.042 5.762 -0.720 1
1 27 . 13 1 1 A 4 4 PHE C C 4 172.986 172.873 0.113 1
1 28 . 13 1 1 A 4 4 PHE CA C 4 55.505 55.048 0.457 1
1 29 . 13 1 1 A 4 4 PHE CB C 4 41.288 42.150 -0.862 1
1 33 . 13 1 1 A 4 4 PHE N N 4 117.566 121.027 -3.461 1
1 34 . 13 1 1 A 5 5 LEU H H 5 8.498 8.470 0.028 1
1 35 . 13 1 1 A 5 5 LEU HA H 5 4.532 3.916 0.616 1
1 45 . 13 1 1 A 5 5 LEU C C 5 175.330 174.481 0.849 1
1 46 . 13 1 1 A 5 5 LEU CA C 5 54.222 53.720 0.502 1
1 47 . 13 1 1 A 5 5 LEU CB C 5 42.932 42.485 0.447 1
1 51 . 13 1 1 A 5 5 LEU N N 5 123.329 122.030 1.299 1
1 52 . 13 1 1 A 6 6 ALA H H 6 9.325 8.799 0.526 1
1 53 . 13 1 1 A 6 6 ALA HA H 6 4.769 5.198 -0.429 1
1 57 . 13 1 1 A 6 6 ALA C C 6 174.744 177.003 -2.259 1
1 58 . 13 1 1 A 6 6 ALA CA C 6 50.500 50.637 -0.137 1
1 59 . 13 1 1 A 6 6 ALA CB C 6 23.746 20.662 3.084 1
1 60 . 13 1 1 A 6 6 ALA N N 6 129.530 130.484 -0.954 1
1 61 . 13 1 1 A 7 7 GLY H H 7 8.639 8.865 -0.226 1
1 62 . 13 1 1 A 7 7 GLY HA2 H 7 5.721 4.253 1.468 1
1 63 . 13 1 1 A 7 7 GLY HA3 H 7 3.508 4.269 -0.761 1
1 64 . 13 1 1 A 7 7 GLY C C 7 173.221 171.996 1.225 1
1 65 . 13 1 1 A 7 7 GLY CA C 7 45.351 44.019 1.332 1
1 66 . 13 1 1 A 7 7 GLY N N 7 106.888 111.143 -4.255 1
1 67 . 13 1 1 A 8 8 ILE H H 8 9.356 9.143 0.213 1
1 68 . 13 1 1 A 8 8 ILE HA H 8 4.957 4.843 0.114 1
1 78 . 13 1 1 A 8 8 ILE C C 8 172.986 174.039 -1.053 1
1 79 . 13 1 1 A 8 8 ILE CA C 8 59.551 60.050 -0.499 1
1 80 . 13 1 1 A 8 8 ILE CB C 8 43.405 41.768 1.637 1
1 84 . 13 1 1 A 8 8 ILE N N 8 122.820 123.773 -0.953 1
1 85 . 13 1 1 A 9 9 ARG H H 9 9.364 9.587 -0.223 1
1 86 . 13 1 1 A 9 9 ARG HA H 9 5.609 4.971 0.638 1
1 94 . 13 1 1 A 9 9 ARG C C 9 175.096 174.752 0.344 1
1 95 . 13 1 1 A 9 9 ARG CA C 9 54.192 54.620 -0.428 1
1 96 . 13 1 1 A 9 9 ARG CB C 9 33.400 32.835 0.565 1
1 99 . 13 1 1 A 9 9 ARG N N 9 126.323 127.944 -1.621 1
1 101 . 13 1 1 A 10 10 ILE H H 10 9.479 9.218 0.261 1
1 102 . 13 1 1 A 10 10 ILE HA H 10 5.089 4.722 0.367 1
1 112 . 13 1 1 A 10 10 ILE C C 10 174.275 174.550 -0.275 1
1 113 . 13 1 1 A 10 10 ILE CA C 10 60.127 59.848 0.279 1
1 114 . 13 1 1 A 10 10 ILE CB C 10 42.651 39.241 3.410 1
1 118 . 13 1 1 A 10 10 ILE N N 10 128.583 128.006 0.577 1
1 119 . 13 1 1 A 11 11 VAL H H 11 8.581 8.839 -0.258 1
1 120 . 13 1 1 A 11 11 VAL HA H 11 4.793 4.731 0.062 1
1 128 . 13 1 1 A 11 11 VAL C C 11 175.827 174.503 1.324 1
1 129 . 13 1 1 A 11 11 VAL CA C 11 60.201 60.394 -0.193 1
1 130 . 13 1 1 A 11 11 VAL CB C 11 34.522 32.567 1.955 1
1 133 . 13 1 1 A 11 11 VAL N N 11 126.323 128.363 -2.040 1
1 134 . 13 1 1 A 12 12 GLY H H 12 7.713 7.288 0.425 1
1 135 . 13 1 1 A 12 12 GLY HA2 H 12 3.434 3.397 0.037 1
1 136 . 13 1 1 A 12 12 GLY HA3 H 12 3.563 3.808 -0.245 1
1 137 . 13 1 1 A 12 12 GLY C C 12 170.332 172.585 -2.253 1
1 138 . 13 1 1 A 12 12 GLY CA C 12 45.842 43.253 2.589 1
1 139 . 13 1 1 A 12 12 GLY N N 12 113.216 113.641 -0.425 1
1 140 . 13 1 1 A 13 13 GLU H H 13 8.180 8.329 -0.149 1
1 141 . 13 1 1 A 13 13 GLU HA H 13 4.387 4.422 -0.035 1
1 146 . 13 1 1 A 13 13 GLU C C 13 175.409 175.720 -0.311 1
1 147 . 13 1 1 A 13 13 GLU CA C 13 55.865 56.740 -0.875 1
1 148 . 13 1 1 A 13 13 GLU CB C 13 31.102 30.004 1.098 1
1 150 . 13 1 1 A 13 13 GLU N N 13 119.035 117.732 1.303 1
1 151 . 13 1 1 A 14 14 ASP H H 14 8.095 8.898 -0.803 1
1 152 . 13 1 1 A 14 14 ASP HA H 14 4.888 5.029 -0.141 1
1 155 . 13 1 1 A 14 14 ASP C C 14 174.991 175.508 -0.517 1
1 156 . 13 1 1 A 14 14 ASP CA C 14 52.473 54.276 -1.803 1
1 157 . 13 1 1 A 14 14 ASP CB C 14 40.364 41.085 -0.721 1
1 158 . 13 1 1 A 14 14 ASP N N 14 122.877 124.919 -2.042 1
1 159 . 13 1 1 A 15 15 LYS H H 15 7.345 8.396 -1.051 1
1 160 . 13 1 1 A 15 15 LYS HA H 15 4.550 4.687 -0.137 1
1 169 . 13 1 1 A 15 15 LYS C C 15 176.385 175.121 1.264 1
1 170 . 13 1 1 A 15 15 LYS CA C 15 54.554 55.794 -1.240 1
1 171 . 13 1 1 A 15 15 LYS CB C 15 35.403 34.767 0.636 1
1 175 . 13 1 1 A 15 15 LYS N N 15 120.221 124.705 -4.484 1
1 176 . 13 1 1 A 16 16 ASN H H 16 9.025 9.314 -0.289 1
1 177 . 13 1 1 A 16 16 ASN HA H 16 4.386 4.450 -0.064 1
1 182 . 13 1 1 A 16 16 ASN C C 16 175.916 175.384 0.532 1
1 183 . 13 1 1 A 16 16 ASN CA C 16 54.966 54.368 0.598 1
1 184 . 13 1 1 A 16 16 ASN CB C 16 37.810 37.004 0.806 1
1 185 . 13 1 1 A 16 16 ASN N N 16 119.785 121.082 -1.297 1
1 187 . 13 1 1 A 17 17 GLY H H 17 8.780 8.372 0.408 1
1 188 . 13 1 1 A 17 17 GLY HA2 H 17 4.125 3.953 0.172 1
1 189 . 13 1 1 A 17 17 GLY HA3 H 17 3.970 3.969 0.001 1
1 190 . 13 1 1 A 17 17 GLY C C 17 176.151 175.461 0.690 1
1 191 . 13 1 1 A 17 17 GLY CA C 17 45.996 45.570 0.426 1
1 192 . 13 1 1 A 17 17 GLY N N 17 110.504 105.555 4.949 1
1 193 . 13 1 1 A 18 18 MET H H 18 7.989 8.260 -0.271 1
1 194 . 13 1 1 A 18 18 MET HA H 18 4.359 4.176 0.183 1
1 202 . 13 1 1 A 18 18 MET C C 18 178.589 178.029 0.560 1
1 203 . 13 1 1 A 18 18 MET CA C 18 57.405 58.430 -1.025 1
1 204 . 13 1 1 A 18 18 MET CB C 18 31.847 32.736 -0.889 1
1 207 . 13 1 1 A 18 18 MET N N 18 121.860 121.325 0.535 1
1 208 . 13 1 1 A 19 19 THR H H 19 8.807 8.120 0.687 1
1 209 . 13 1 1 A 19 19 THR HA H 19 3.233 3.019 0.214 1
1 215 . 13 1 1 A 19 19 THR C C 19 177.909 176.376 1.533 1
1 216 . 13 1 1 A 19 19 THR CA C 19 65.516 65.266 0.250 1
1 217 . 13 1 1 A 19 19 THR CB C 19 67.000 67.889 -0.889 1
1 219 . 13 1 1 A 19 19 THR N N 19 111.351 112.429 -1.078 1
1 220 . 13 1 1 A 20 20 ASN H H 20 7.936 8.034 -0.098 1
1 221 . 13 1 1 A 20 20 ASN HA H 20 4.083 4.330 -0.247 1
1 226 . 13 1 1 A 20 20 ASN C C 20 176.854 177.037 -0.183 1
1 227 . 13 1 1 A 20 20 ASN CA C 20 57.669 56.665 1.004 1
1 228 . 13 1 1 A 20 20 ASN CB C 20 36.625 38.799 -2.174 1
1 229 . 13 1 1 A 20 20 ASN N N 20 121.577 121.222 0.355 1
1 231 . 13 1 1 A 21 21 GLN H H 21 8.433 8.320 0.113 1
1 232 . 13 1 1 A 21 21 GLN HA H 21 4.046 4.006 0.040 1
1 239 . 13 1 1 A 21 21 GLN C C 21 179.550 178.227 1.323 1
1 240 . 13 1 1 A 21 21 GLN CA C 21 59.187 58.472 0.715 1
1 241 . 13 1 1 A 21 21 GLN CB C 21 28.512 27.582 0.930 1
1 243 . 13 1 1 A 21 21 GLN N N 21 120.250 116.963 3.287 1
1 245 . 13 1 1 A 22 22 ILE H H 22 8.779 7.903 0.876 1
1 246 . 13 1 1 A 22 22 ILE HA H 22 3.823 3.612 0.211 1
1 256 . 13 1 1 A 22 22 ILE C C 22 176.854 177.840 -0.986 1
1 257 . 13 1 1 A 22 22 ILE CA C 22 61.611 65.473 -3.862 1
1 258 . 13 1 1 A 22 22 ILE CB C 22 36.935 37.907 -0.972 1
1 262 . 13 1 1 A 22 22 ILE N N 22 119.497 121.410 -1.913 1
1 263 . 13 1 1 A 23 23 THR H H 23 7.478 7.744 -0.266 1
1 264 . 13 1 1 A 23 23 THR HA H 23 3.523 3.910 -0.387 1
1 270 . 13 1 1 A 23 23 THR C C 23 176.502 176.934 -0.432 1
1 271 . 13 1 1 A 23 23 THR CA C 23 67.006 66.495 0.511 1
1 272 . 13 1 1 A 23 23 THR CB C 23 67.305 68.110 -0.805 1
1 274 . 13 1 1 A 23 23 THR N N 23 115.702 116.086 -0.384 1
1 275 . 13 1 1 A 24 24 GLY H H 24 8.011 8.276 -0.265 1
1 276 . 13 1 1 A 24 24 GLY HA2 H 24 3.880 3.604 0.276 1
1 277 . 13 1 1 A 24 24 GLY HA3 H 24 3.672 3.613 0.059 1
1 278 . 13 1 1 A 24 24 GLY C C 24 176.385 176.225 0.160 1
1 279 . 13 1 1 A 24 24 GLY CA C 24 47.163 46.957 0.206 1
1 280 . 13 1 1 A 24 24 GLY N N 24 110.691 107.787 2.904 1
1 281 . 13 1 1 A 25 25 VAL H H 25 7.898 7.744 0.154 1
1 282 . 13 1 1 A 25 25 VAL HA H 25 3.473 3.615 -0.142 1
1 290 . 13 1 1 A 25 25 VAL C C 25 178.286 177.598 0.688 1
1 291 . 13 1 1 A 25 25 VAL CA C 25 66.432 65.869 0.563 1
1 292 . 13 1 1 A 25 25 VAL CB C 25 31.925 31.581 0.344 1
1 295 . 13 1 1 A 25 25 VAL N N 25 123.276 121.205 2.071 1
1 296 . 13 1 1 A 26 26 ILE H H 26 7.646 8.044 -0.398 1
1 297 . 13 1 1 A 26 26 ILE HA H 26 2.698 2.332 0.366 1
1 307 . 13 1 1 A 26 26 ILE C C 26 177.440 177.996 -0.556 1
1 308 . 13 1 1 A 26 26 ILE CA C 26 64.163 64.544 -0.381 1
1 309 . 13 1 1 A 26 26 ILE CB C 26 37.876 37.187 0.689 1
1 313 . 13 1 1 A 26 26 ILE N N 26 116.606 120.652 -4.046 1
1 314 . 13 1 1 A 27 27 SER H H 27 7.783 7.908 -0.125 1
1 315 . 13 1 1 A 27 27 SER HA H 27 3.908 4.158 -0.250 1
1 319 . 13 1 1 A 27 27 SER C C 27 175.330 176.088 -0.758 1
1 320 . 13 1 1 A 27 27 SER CA C 27 61.465 60.976 0.489 1
1 321 . 13 1 1 A 27 27 SER CB C 27 63.388 62.798 0.590 1
1 322 . 13 1 1 A 27 27 SER N N 27 112.932 115.874 -2.942 1
1 323 . 13 1 1 A 28 28 LYS H H 28 7.008 7.552 -0.544 1
1 324 . 13 1 1 A 28 28 LYS HA H 28 4.234 4.266 -0.032 1
1 333 . 13 1 1 A 28 28 LYS C C 28 177.323 177.292 0.031 1
1 334 . 13 1 1 A 28 28 LYS CA C 28 56.161 57.322 -1.161 1
1 335 . 13 1 1 A 28 28 LYS CB C 28 32.742 32.463 0.279 1
1 339 . 13 1 1 A 28 28 LYS N N 28 118.978 119.130 -0.152 1
1 340 . 13 1 1 A 29 29 PHE H H 29 7.691 7.240 0.451 1
1 341 . 13 1 1 A 29 29 PHE HA H 29 4.576 4.527 0.049 1
1 349 . 13 1 1 A 29 29 PHE C C 29 175.841 176.079 -0.238 1
1 350 . 13 1 1 A 29 29 PHE CA C 29 56.366 58.312 -1.946 1
1 351 . 13 1 1 A 29 29 PHE CB C 29 38.723 40.220 -1.497 1
1 355 . 13 1 1 A 29 29 PHE N N 29 120.755 119.621 1.134 1
1 356 . 13 1 1 A 30 30 ASP H H 30 8.388 9.034 -0.646 1
1 357 . 13 1 1 A 30 30 ASP HA H 30 4.650 4.563 0.087 1
1 360 . 13 1 1 A 30 30 ASP C C 30 175.096 175.737 -0.641 1
1 361 . 13 1 1 A 30 30 ASP CA C 30 53.331 55.228 -1.897 1
1 362 . 13 1 1 A 30 30 ASP CB C 30 38.691 41.481 -2.790 1
1 363 . 13 1 1 A 30 30 ASP N N 30 122.230 121.623 0.607 1
1 364 . 13 1 1 A 31 31 THR H H 31 7.663 7.762 -0.099 1
1 365 . 13 1 1 A 31 31 THR HA H 31 4.558 4.704 -0.146 1
1 370 . 13 1 1 A 31 31 THR C C 31 173.297 173.335 -0.038 1
1 371 . 13 1 1 A 31 31 THR CA C 31 59.333 59.882 -0.549 1
1 372 . 13 1 1 A 31 31 THR CB C 31 70.319 71.134 -0.815 1
1 374 . 13 1 1 A 31 31 THR N N 31 112.538 114.296 -1.758 1
1 375 . 13 1 1 A 32 32 ASN H H 32 8.308 8.803 -0.495 1
1 376 . 13 1 1 A 32 32 ASN HA H 32 4.910 5.391 -0.481 1
1 381 . 13 1 1 A 32 32 ASN C C 32 175.447 174.427 1.020 1
1 382 . 13 1 1 A 32 32 ASN CA C 32 52.732 51.668 1.064 1
1 383 . 13 1 1 A 32 32 ASN CB C 32 39.337 41.145 -1.808 1
1 384 . 13 1 1 A 32 32 ASN N N 32 121.973 122.996 -1.023 1
1 386 . 13 1 1 A 33 33 ILE H H 33 8.320 9.015 -0.695 1
1 387 . 13 1 1 A 33 33 ILE HA H 33 3.846 4.141 -0.295 1
1 397 . 13 1 1 A 33 33 ILE C C 33 175.230 176.113 -0.883 1
1 398 . 13 1 1 A 33 33 ILE CA C 33 63.300 61.774 1.526 1
1 399 . 13 1 1 A 33 33 ILE CB C 33 39.167 36.938 2.229 1
1 403 . 13 1 1 A 33 33 ILE N N 33 125.984 127.449 -1.465 1
1 404 . 13 1 1 A 34 34 ARG H H 34 8.858 9.072 -0.214 1
1 405 . 13 1 1 A 34 34 ARG HA H 34 4.538 4.446 0.092 1
1 413 . 13 1 1 A 34 34 ARG C C 34 175.565 176.265 -0.700 1
1 414 . 13 1 1 A 34 34 ARG CA C 34 54.900 57.938 -3.038 1
1 415 . 13 1 1 A 34 34 ARG CB C 34 30.275 31.162 -0.887 1
1 418 . 13 1 1 A 34 34 ARG N N 34 126.537 129.637 -3.100 1
1 420 . 13 1 1 A 35 35 THR H H 35 7.698 7.347 0.351 1
1 421 . 13 1 1 A 35 35 THR HA H 35 5.311 5.004 0.307 1
1 426 . 13 1 1 A 35 35 THR C C 35 173.807 172.111 1.696 1
1 427 . 13 1 1 A 35 35 THR CA C 35 61.040 61.092 -0.052 1
1 428 . 13 1 1 A 35 35 THR CB C 35 74.055 72.279 1.776 1
1 430 . 13 1 1 A 35 35 THR N N 35 111.895 111.971 -0.076 1
1 431 . 13 1 1 A 36 36 ILE H H 36 8.907 9.121 -0.214 1
1 432 . 13 1 1 A 36 36 ILE HA H 36 4.753 5.229 -0.476 1
1 442 . 13 1 1 A 36 36 ILE C C 36 174.275 173.501 0.774 1
1 443 . 13 1 1 A 36 36 ILE CA C 36 61.400 59.669 1.731 1
1 444 . 13 1 1 A 36 36 ILE CB C 36 42.569 41.762 0.807 1
1 448 . 13 1 1 A 36 36 ILE N N 36 123.257 127.665 -4.408 1
1 449 . 13 1 1 A 37 37 VAL H H 37 8.933 8.827 0.106 1
1 450 . 13 1 1 A 37 37 VAL HA H 37 4.903 4.941 -0.038 1
1 458 . 13 1 1 A 37 37 VAL C C 37 174.684 174.933 -0.249 1
1 459 . 13 1 1 A 37 37 VAL CA C 37 62.100 60.727 1.373 1
1 460 . 13 1 1 A 37 37 VAL CB C 37 34.186 34.904 -0.718 1
1 463 . 13 1 1 A 37 37 VAL N N 37 126.323 128.654 -2.331 1
1 464 . 13 1 1 A 38 38 LEU H H 38 9.751 8.752 0.999 1
1 465 . 13 1 1 A 38 38 LEU HA H 38 5.636 5.034 0.602 1
1 475 . 13 1 1 A 38 38 LEU C C 38 174.510 174.539 -0.029 1
1 476 . 13 1 1 A 38 38 LEU CA C 38 53.810 54.217 -0.407 1
1 477 . 13 1 1 A 38 38 LEU CB C 38 45.655 46.161 -0.506 1
1 481 . 13 1 1 A 38 38 LEU N N 38 133.332 127.943 5.389 1
1 482 . 13 1 1 A 39 39 ASN H H 39 8.952 9.157 -0.205 1
1 483 . 13 1 1 A 39 39 ASN HA H 39 5.450 5.582 -0.132 1
1 488 . 13 1 1 A 39 39 ASN C C 39 172.869 173.205 -0.336 1
1 489 . 13 1 1 A 39 39 ASN CA C 39 53.137 51.575 1.562 1
1 490 . 13 1 1 A 39 39 ASN CB C 39 43.287 42.203 1.084 1
1 491 . 13 1 1 A 39 39 ASN N N 39 123.262 123.184 0.078 1
1 493 . 13 1 1 A 40 40 ALA H H 40 8.467 9.088 -0.621 1
1 494 . 13 1 1 A 40 40 ALA HA H 40 5.345 5.577 -0.232 1
1 498 . 13 1 1 A 40 40 ALA C C 40 175.447 176.855 -1.408 1
1 499 . 13 1 1 A 40 40 ALA CA C 40 51.370 50.879 0.491 1
1 500 . 13 1 1 A 40 40 ALA CB C 40 20.975 20.612 0.363 1
1 501 . 13 1 1 A 40 40 ALA N N 40 127.058 126.548 0.510 1
1 502 . 13 1 1 A 41 41 LYS H H 41 8.865 8.799 0.066 1
1 503 . 13 1 1 A 41 41 LYS HA H 41 4.435 4.938 -0.503 1
1 512 . 13 1 1 A 41 41 LYS C C 41 175.565 174.879 0.686 1
1 513 . 13 1 1 A 41 41 LYS CA C 41 56.736 54.777 1.959 1
1 514 . 13 1 1 A 41 41 LYS CB C 41 34.811 36.685 -1.874 1
1 518 . 13 1 1 A 41 41 LYS N N 41 121.996 120.441 1.555 1
1 519 . 13 1 1 A 42 42 ASP H H 42 9.197 9.359 -0.162 1
1 520 . 13 1 1 A 42 42 ASP HA H 42 4.373 4.375 -0.002 1
1 523 . 13 1 1 A 42 42 ASP C C 42 175.447 176.367 -0.920 1
1 524 . 13 1 1 A 42 42 ASP CA C 42 55.547 55.322 0.225 1
1 525 . 13 1 1 A 42 42 ASP CB C 42 39.485 39.345 0.140 1
1 526 . 13 1 1 A 42 42 ASP N N 42 122.213 119.454 2.759 1
1 527 . 13 1 1 A 43 43 GLY H H 43 9.306 8.758 0.548 1
1 528 . 13 1 1 A 43 43 GLY HA2 H 43 4.443 3.912 0.531 1
1 529 . 13 1 1 A 43 43 GLY HA3 H 43 3.816 3.920 -0.104 1
1 530 . 13 1 1 A 43 43 GLY C C 43 174.979 173.976 1.003 1
1 531 . 13 1 1 A 43 43 GLY CA C 43 45.661 45.615 0.046 1
1 532 . 13 1 1 A 43 43 GLY N N 43 104.610 104.620 -0.010 1
1 533 . 13 1 1 A 44 44 ILE H H 44 8.117 7.950 0.167 1
1 534 . 13 1 1 A 44 44 ILE HA H 44 5.112 4.806 0.306 1
1 544 . 13 1 1 A 44 44 ILE C C 44 175.213 175.003 0.210 1
1 545 . 13 1 1 A 44 44 ILE CA C 44 59.040 59.346 -0.306 1
1 546 . 13 1 1 A 44 44 ILE CB C 44 42.013 41.156 0.857 1
1 550 . 13 1 1 A 44 44 ILE N N 44 122.284 121.448 0.836 1
1 551 . 13 1 1 A 45 45 PHE H H 45 8.955 8.462 0.493 1
1 552 . 13 1 1 A 45 45 PHE HA H 45 5.740 6.055 -0.315 1
1 560 . 13 1 1 A 45 45 PHE C C 45 172.283 173.275 -0.992 1
1 561 . 13 1 1 A 45 45 PHE CA C 45 55.872 54.802 1.070 1
1 562 . 13 1 1 A 45 45 PHE CB C 45 42.740 42.498 0.242 1
1 566 . 13 1 1 A 45 45 PHE N N 45 121.747 121.370 0.377 1
1 567 . 13 1 1 A 46 46 THR H H 46 8.659 8.761 -0.102 1
1 568 . 13 1 1 A 46 46 THR HA H 46 5.111 5.189 -0.078 1
1 574 . 13 1 1 A 46 46 THR C C 46 174.041 172.856 1.185 1
1 575 . 13 1 1 A 46 46 THR CA C 46 59.750 60.462 -0.712 1
1 576 . 13 1 1 A 46 46 THR CB C 46 71.380 70.422 0.958 1
1 578 . 13 1 1 A 46 46 THR N N 46 113.420 117.337 -3.917 1
1 579 . 13 1 1 A 47 47 CYS H H 47 9.619 9.519 0.100 1
1 580 . 13 1 1 A 47 47 CYS HA H 47 5.562 5.422 0.140 1
1 584 . 13 1 1 A 47 47 CYS C C 47 172.283 173.242 -0.959 1
1 585 . 13 1 1 A 47 47 CYS CA C 47 56.776 58.063 -1.287 1
1 586 . 13 1 1 A 47 47 CYS CB C 47 29.112 28.438 0.674 1
1 587 . 13 1 1 A 47 47 CYS N N 47 124.781 129.501 -4.720 1
1 588 . 13 1 1 A 48 48 ASN H H 48 9.293 9.617 -0.324 1
1 589 . 13 1 1 A 48 48 ASN HA H 48 5.629 5.304 0.325 1
1 594 . 13 1 1 A 48 48 ASN C C 48 173.455 173.812 -0.357 1
1 595 . 13 1 1 A 48 48 ASN CA C 48 51.962 52.459 -0.497 1
1 596 . 13 1 1 A 48 48 ASN CB C 48 40.059 39.154 0.905 1
1 597 . 13 1 1 A 48 48 ASN N N 48 129.520 125.827 3.693 1
1 599 . 13 1 1 A 49 49 LEU H H 49 9.435 9.210 0.225 1
1 600 . 13 1 1 A 49 49 LEU HA H 49 5.158 4.970 0.188 1
1 610 . 13 1 1 A 49 49 LEU C C 49 174.510 174.507 0.003 1
1 611 . 13 1 1 A 49 49 LEU CA C 49 53.178 53.657 -0.479 1
1 612 . 13 1 1 A 49 49 LEU CB C 49 46.402 44.633 1.769 1
1 616 . 13 1 1 A 49 49 LEU N N 49 125.541 127.443 -1.902 1
1 617 . 13 1 1 A 50 50 MET H H 50 8.978 9.108 -0.130 1
1 618 . 13 1 1 A 50 50 MET HA H 50 5.723 5.453 0.270 1
1 626 . 13 1 1 A 50 50 MET C C 50 175.682 174.890 0.792 1
1 627 . 13 1 1 A 50 50 MET CA C 50 54.073 54.223 -0.150 1
1 628 . 13 1 1 A 50 50 MET CB C 50 33.643 34.803 -1.160 1
1 631 . 13 1 1 A 50 50 MET N N 50 123.131 125.091 -1.960 1
1 632 . 13 1 1 A 51 51 ILE H H 51 9.056 8.953 0.103 1
1 633 . 13 1 1 A 51 51 ILE HA H 51 5.044 5.086 -0.042 1
1 643 . 13 1 1 A 51 51 ILE C C 51 173.689 174.086 -0.397 1
1 644 . 13 1 1 A 51 51 ILE CA C 51 58.495 59.117 -0.622 1
1 645 . 13 1 1 A 51 51 ILE CB C 51 41.447 42.208 -0.761 1
1 649 . 13 1 1 A 51 51 ILE N N 51 118.753 118.158 0.595 1
1 650 . 13 1 1 A 52 52 PHE H H 52 8.324 8.984 -0.660 1
1 651 . 13 1 1 A 52 52 PHE HA H 52 5.345 5.032 0.313 1
1 659 . 13 1 1 A 52 52 PHE C C 52 176.084 175.597 0.487 1
1 660 . 13 1 1 A 52 52 PHE CA C 52 56.478 57.285 -0.807 1
1 661 . 13 1 1 A 52 52 PHE CB C 52 40.520 40.848 -0.328 1
1 665 . 13 1 1 A 52 52 PHE N N 52 120.910 122.219 -1.309 1
1 666 . 13 1 1 A 53 53 VAL H H 53 8.865 8.235 0.630 1
1 667 . 13 1 1 A 53 53 VAL HA H 53 4.663 4.698 -0.035 1
1 675 . 13 1 1 A 53 53 VAL C C 53 174.812 175.600 -0.788 1
1 676 . 13 1 1 A 53 53 VAL CA C 53 58.881 59.152 -0.271 1
1 677 . 13 1 1 A 53 53 VAL CB C 53 35.707 34.821 0.886 1
1 680 . 13 1 1 A 53 53 VAL N N 53 118.244 115.436 2.808 1
1 681 . 13 1 1 A 54 54 LYS H H 54 8.335 8.646 -0.311 1
1 682 . 13 1 1 A 54 54 LYS HA H 54 4.324 4.484 -0.160 1
1 691 . 13 1 1 A 54 54 LYS C C 54 176.655 176.247 0.408 1
1 692 . 13 1 1 A 54 54 LYS CA C 54 58.039 57.311 0.728 1
1 693 . 13 1 1 A 54 54 LYS CB C 54 33.974 33.020 0.954 1
1 697 . 13 1 1 A 54 54 LYS N N 54 120.334 120.989 -0.655 1
1 698 . 13 1 1 A 55 55 ASN H H 55 7.235 7.550 -0.315 1
1 699 . 13 1 1 A 55 55 ASN HA H 55 4.888 5.177 -0.289 1
1 704 . 13 1 1 A 55 55 ASN C C 55 175.083 175.241 -0.158 1
1 705 . 13 1 1 A 55 55 ASN CA C 55 52.173 51.940 0.233 1
1 706 . 13 1 1 A 55 55 ASN CB C 55 39.333 40.435 -1.102 1
1 707 . 13 1 1 A 55 55 ASN N N 55 108.018 114.537 -6.519 1
1 709 . 13 1 1 A 56 56 THR H H 56 8.865 8.609 0.256 1
1 710 . 13 1 1 A 56 56 THR HA H 56 4.036 4.202 -0.166 1
1 715 . 13 1 1 A 56 56 THR C C 56 178.637 176.525 2.112 1
1 716 . 13 1 1 A 56 56 THR CA C 56 65.800 65.982 -0.182 1
1 717 . 13 1 1 A 56 56 THR CB C 56 68.341 68.370 -0.029 1
1 719 . 13 1 1 A 56 56 THR N N 56 113.338 112.640 0.698 1
1 720 . 13 1 1 A 57 57 ASP H H 57 8.384 8.333 0.051 1
1 721 . 13 1 1 A 57 57 ASP HA H 57 4.467 4.593 -0.126 1
1 724 . 13 1 1 A 57 57 ASP CA C 57 57.400 57.519 -0.119 1
1 725 . 13 1 1 A 57 57 ASP CB C 57 39.938 41.343 -1.405 1
1 726 . 13 1 1 A 57 57 ASP N N 57 124.402 122.389 2.013 1
1 727 . 13 1 1 A 58 58 LYS H H 58 8.266 8.133 0.133 1
1 728 . 13 1 1 A 58 58 LYS HA H 58 4.172 4.010 0.162 1
1 740 . 13 1 1 A 58 58 LYS C C 58 178.378 178.709 -0.331 1
1 741 . 13 1 1 A 58 58 LYS CA C 58 57.695 59.554 -1.859 1
1 742 . 13 1 1 A 58 58 LYS CB C 58 31.763 31.806 -0.043 1
1 746 . 13 1 1 A 58 58 LYS N N 58 120.194 119.430 0.764 1
1 747 . 13 1 1 A 59 59 LEU H H 59 7.302 7.377 -0.075 1
1 748 . 13 1 1 A 59 59 LEU HA H 59 3.907 3.931 -0.024 1
1 758 . 13 1 1 A 59 59 LEU C C 59 177.909 178.371 -0.462 1
1 759 . 13 1 1 A 59 59 LEU CA C 59 57.979 58.053 -0.074 1
1 760 . 13 1 1 A 59 59 LEU CB C 59 41.727 41.598 0.129 1
1 764 . 13 1 1 A 59 59 LEU N N 59 118.583 120.728 -2.145 1
1 765 . 13 1 1 A 60 60 THR H H 60 8.500 8.293 0.207 1
1 766 . 13 1 1 A 60 60 THR HA H 60 3.845 4.084 -0.239 1
1 771 . 13 1 1 A 60 60 THR C C 60 176.502 177.256 -0.754 1
1 772 . 13 1 1 A 60 60 THR CA C 60 66.691 65.823 0.868 1
1 773 . 13 1 1 A 60 60 THR CB C 60 68.390 68.168 0.222 1
1 775 . 13 1 1 A 60 60 THR N N 60 115.462 111.861 3.601 1
1 776 . 13 1 1 A 61 61 THR H H 61 7.996 7.977 0.019 1
1 777 . 13 1 1 A 61 61 THR HA H 61 4.053 3.955 0.098 1
1 782 . 13 1 1 A 61 61 THR C C 61 176.502 176.452 0.050 1
1 783 . 13 1 1 A 61 61 THR CA C 61 66.420 67.095 -0.675 1
1 784 . 13 1 1 A 61 61 THR CB C 61 68.549 67.939 0.610 1
1 786 . 13 1 1 A 61 61 THR N N 61 117.698 116.932 0.766 1
1 787 . 13 1 1 A 62 62 LEU H H 62 7.717 7.955 -0.238 1
1 788 . 13 1 1 A 62 62 LEU HA H 62 3.542 3.600 -0.058 1
1 798 . 13 1 1 A 62 62 LEU C C 62 178.612 178.682 -0.070 1
1 799 . 13 1 1 A 62 62 LEU CA C 62 57.988 57.712 0.276 1
1 800 . 13 1 1 A 62 62 LEU CB C 62 40.241 41.061 -0.820 1
1 804 . 13 1 1 A 62 62 LEU N N 62 122.534 120.946 1.588 1
1 805 . 13 1 1 A 63 63 MET H H 63 8.230 8.072 0.158 1
1 806 . 13 1 1 A 63 63 MET HA H 63 3.771 4.166 -0.395 1
1 814 . 13 1 1 A 63 63 MET C C 63 177.674 177.945 -0.271 1
1 815 . 13 1 1 A 63 63 MET CA C 63 60.699 58.683 2.016 1
1 816 . 13 1 1 A 63 63 MET CB C 63 33.024 31.895 1.129 1
1 819 . 13 1 1 A 63 63 MET N N 63 116.719 116.665 0.054 1
1 820 . 13 1 1 A 64 64 ASP H H 64 8.263 8.089 0.174 1
1 821 . 13 1 1 A 64 64 ASP HA H 64 4.401 4.329 0.072 1
1 824 . 13 1 1 A 64 64 ASP C C 64 178.378 178.371 0.007 1
1 825 . 13 1 1 A 64 64 ASP CA C 64 57.400 57.376 0.024 1
1 826 . 13 1 1 A 64 64 ASP CB C 64 40.703 41.308 -0.605 1
1 827 . 13 1 1 A 64 64 ASP N N 64 118.611 120.776 -2.165 1
1 828 . 13 1 1 A 65 65 LYS H H 65 7.755 8.063 -0.308 1
1 829 . 13 1 1 A 65 65 LYS HA H 65 3.970 4.083 -0.113 1
1 838 . 13 1 1 A 65 65 LYS C C 65 179.922 179.544 0.378 1
1 839 . 13 1 1 A 65 65 LYS CA C 65 59.466 59.452 0.014 1
1 840 . 13 1 1 A 65 65 LYS CB C 65 32.372 32.828 -0.456 1
1 844 . 13 1 1 A 65 65 LYS N N 65 118.452 118.761 -0.309 1
1 845 . 13 1 1 A 66 66 LEU H H 66 7.768 8.420 -0.652 1
1 846 . 13 1 1 A 66 66 LEU HA H 66 4.066 4.146 -0.080 1
1 856 . 13 1 1 A 66 66 LEU C C 66 177.557 178.385 -0.828 1
1 857 . 13 1 1 A 66 66 LEU CA C 66 57.550 57.432 0.118 1
1 858 . 13 1 1 A 66 66 LEU CB C 66 43.218 41.335 1.883 1
1 862 . 13 1 1 A 66 66 LEU N N 66 118.471 119.877 -1.406 1
1 863 . 13 1 1 A 67 67 ARG H H 67 8.017 7.990 0.027 1
1 864 . 13 1 1 A 67 67 ARG HA H 67 3.855 4.129 -0.274 1
1 872 . 13 1 1 A 67 67 ARG C C 67 177.440 178.221 -0.781 1
1 873 . 13 1 1 A 67 67 ARG CA C 67 58.584 58.370 0.214 1
1 874 . 13 1 1 A 67 67 ARG CB C 67 30.313 30.123 0.190 1
1 877 . 13 1 1 A 67 67 ARG N N 67 115.702 120.162 -4.460 1
1 879 . 13 1 1 A 68 68 LYS H H 68 7.168 7.719 -0.551 1
1 880 . 13 1 1 A 68 68 LYS HA H 68 4.198 4.323 -0.125 1
1 889 . 13 1 1 A 68 68 LYS C C 68 176.502 177.142 -0.640 1
1 890 . 13 1 1 A 68 68 LYS CA C 68 56.149 57.490 -1.341 1
1 891 . 13 1 1 A 68 68 LYS CB C 68 32.725 32.852 -0.127 1
1 895 . 13 1 1 A 68 68 LYS N N 68 115.213 117.573 -2.360 1
1 896 . 13 1 1 A 69 69 VAL H H 69 7.348 7.331 0.017 1
1 897 . 13 1 1 A 69 69 VAL HA H 69 3.776 4.159 -0.383 1
1 905 . 13 1 1 A 69 69 VAL C C 69 175.916 177.350 -1.434 1
1 906 . 13 1 1 A 69 69 VAL CA C 69 63.134 63.259 -0.125 1
1 907 . 13 1 1 A 69 69 VAL CB C 69 31.075 31.622 -0.547 1
1 910 . 13 1 1 A 69 69 VAL N N 69 123.611 120.379 3.232 1
1 911 . 13 1 1 A 70 70 GLN H H 70 8.632 8.658 -0.026 1
1 912 . 13 1 1 A 70 70 GLN HA H 70 4.072 4.122 -0.050 1
1 919 . 13 1 1 A 70 70 GLN C C 70 176.151 177.057 -0.906 1
1 920 . 13 1 1 A 70 70 GLN CA C 70 57.800 57.884 -0.084 1
1 921 . 13 1 1 A 70 70 GLN CB C 70 28.100 28.261 -0.161 1
1 923 . 13 1 1 A 70 70 GLN N N 70 130.070 126.551 3.519 1
1 925 . 13 1 1 A 71 71 GLY H H 71 8.783 8.181 0.602 1
1 926 . 13 1 1 A 71 71 GLY HA2 H 71 4.598 4.062 0.536 1
1 927 . 13 1 1 A 71 71 GLY HA3 H 71 3.677 4.069 -0.392 1
1 928 . 13 1 1 A 71 71 GLY C C 71 173.924 174.214 -0.290 1
1 929 . 13 1 1 A 71 71 GLY CA C 71 44.941 45.429 -0.488 1
1 930 . 13 1 1 A 71 71 GLY N N 71 113.801 108.052 5.749 1
1 931 . 13 1 1 A 72 72 VAL H H 72 7.805 7.877 -0.072 1
1 932 . 13 1 1 A 72 72 VAL HA H 72 3.723 3.932 -0.209 1
1 940 . 13 1 1 A 72 72 VAL C C 72 176.502 176.427 0.075 1
1 941 . 13 1 1 A 72 72 VAL CA C 72 64.020 62.275 1.745 1
1 942 . 13 1 1 A 72 72 VAL CB C 72 32.003 32.877 -0.874 1
1 945 . 13 1 1 A 72 72 VAL N N 72 120.334 120.161 0.173 1
1 946 . 13 1 1 A 73 73 PHE H H 73 9.522 7.609 1.913 1
1 947 . 13 1 1 A 73 73 PHE HA H 73 5.109 4.960 0.149 1
1 955 . 13 1 1 A 73 73 PHE C C 73 176.502 174.418 2.084 1
1 956 . 13 1 1 A 73 73 PHE CA C 73 56.354 56.624 -0.270 1
1 957 . 13 1 1 A 73 73 PHE CB C 73 39.615 40.957 -1.342 1
1 961 . 13 1 1 A 73 73 PHE N N 73 127.542 120.826 6.716 1
1 962 . 13 1 1 A 74 74 THR H H 74 7.972 7.213 0.759 1
1 963 . 13 1 1 A 74 74 THR HA H 74 4.736 4.853 -0.117 1
1 968 . 13 1 1 A 74 74 THR C C 74 172.400 173.303 -0.903 1
1 969 . 13 1 1 A 74 74 THR CA C 74 60.604 60.725 -0.121 1
1 970 . 13 1 1 A 74 74 THR CB C 74 72.576 71.238 1.338 1
1 972 . 13 1 1 A 74 74 THR N N 74 111.809 109.673 2.136 1
1 973 . 13 1 1 A 75 75 VAL H H 75 8.584 8.923 -0.339 1
1 974 . 13 1 1 A 75 75 VAL HA H 75 4.878 4.941 -0.063 1
1 982 . 13 1 1 A 75 75 VAL C C 75 174.510 175.023 -0.513 1
1 983 . 13 1 1 A 75 75 VAL CA C 75 61.844 61.590 0.254 1
1 984 . 13 1 1 A 75 75 VAL CB C 75 34.500 34.037 0.463 1
1 987 . 13 1 1 A 75 75 VAL N N 75 122.820 124.860 -2.040 1
1 988 . 13 1 1 A 76 76 GLU H H 76 9.029 9.088 -0.059 1
1 989 . 13 1 1 A 76 76 GLU HA H 76 4.861 4.947 -0.086 1
1 994 . 13 1 1 A 76 76 GLU C C 76 174.510 174.658 -0.148 1
1 995 . 13 1 1 A 76 76 GLU CA C 76 53.757 54.258 -0.501 1
1 996 . 13 1 1 A 76 76 GLU CB C 76 34.230 33.429 0.801 1
1 998 . 13 1 1 A 76 76 GLU N N 76 124.572 126.170 -1.598 1
1 999 . 13 1 1 A 77 77 ARG H H 77 8.962 8.517 0.445 1
1 1000 . 13 1 1 A 77 77 ARG HA H 77 4.736 4.654 0.082 1
1 1008 . 13 1 1 A 77 77 ARG C C 77 176.502 175.457 1.045 1
1 1009 . 13 1 1 A 77 77 ARG CA C 77 55.521 56.306 -0.785 1
1 1010 . 13 1 1 A 77 77 ARG CB C 77 30.893 31.062 -0.169 1
1 1013 . 13 1 1 A 77 77 ARG N N 77 122.875 123.309 -0.434 1
1 1015 . 13 1 1 A 78 78 LEU H H 78 8.252 9.278 -1.026 1
1 1016 . 13 1 1 A 78 78 LEU HA H 78 4.505 4.632 -0.127 1
1 1026 . 13 1 1 A 78 78 LEU C C 78 176.737 177.590 -0.853 1
1 1027 . 13 1 1 A 78 78 LEU CA C 78 53.875 53.971 -0.096 1
1 1028 . 13 1 1 A 78 78 LEU CB C 78 43.228 41.476 1.752 1
1 1032 . 13 1 1 A 78 78 LEU N N 78 127.062 128.045 -0.983 1
1 1033 . 13 1 1 A 79 79 SER H H 79 8.635 8.819 -0.184 1
1 1034 . 13 1 1 A 79 79 SER HA H 79 4.492 4.407 0.085 1
1 1037 . 13 1 1 A 79 79 SER C C 79 174.041 174.900 -0.859 1
1 1038 . 13 1 1 A 79 79 SER CA C 79 58.465 59.902 -1.437 1
1 1039 . 13 1 1 A 79 79 SER CB C 79 63.993 63.722 0.271 1
1 1040 . 13 1 1 A 79 79 SER N N 79 118.446 118.141 0.305 1
1 1041 . 13 1 1 A 80 80 ASN H H 80 8.421 7.806 0.615 1
1 1042 . 13 1 1 A 80 80 ASN HA H 80 4.668 4.754 -0.086 1
1 1047 . 13 1 1 A 80 80 ASN C C 80 175.096 175.035 0.061 1
1 1048 . 13 1 1 A 80 80 ASN CA C 80 53.300 52.677 0.623 1
1 1049 . 13 1 1 A 80 80 ASN CB C 80 38.300 38.252 0.048 1
1 1050 . 13 1 1 A 80 80 ASN N N 80 119.339 117.566 1.773 1
1 1052 . 13 1 1 A 81 81 LEU H H 81 8.256 8.930 -0.674 1
1 1053 . 13 1 1 A 81 81 LEU HA H 81 4.258 5.128 -0.870 1
1 1063 . 13 1 1 A 81 81 LEU C C 81 177.323 177.042 0.281 1
1 1064 . 13 1 1 A 81 81 LEU CA C 81 55.263 53.259 2.004 1
1 1065 . 13 1 1 A 81 81 LEU CB C 81 41.756 45.044 -3.288 1
1 1069 . 13 1 1 A 81 81 LEU N N 81 121.238 126.441 -5.203 1
1 1070 . 13 1 1 A 82 82 GLU H H 82 8.282 8.649 -0.367 1
1 1071 . 13 1 1 A 82 82 GLU HA H 82 4.169 4.778 -0.609 1
1 1076 . 13 1 1 A 82 82 GLU C C 82 176.385 176.440 -0.055 1
1 1077 . 13 1 1 A 82 82 GLU CA C 82 56.762 55.188 1.574 1
1 1078 . 13 1 1 A 82 82 GLU CB C 82 29.997 29.385 0.612 1
1 1080 . 13 1 1 A 82 82 GLU N N 82 120.037 118.272 1.765 1
1 1081 . 13 1 1 A 83 83 HIS H H 83 8.195 8.012 0.183 1
1 1082 . 13 1 1 A 83 83 HIS HA H 83 4.535 4.540 -0.005 1
1 1087 . 13 1 1 A 83 83 HIS C C 83 175.081 173.990 1.091 1
1 1088 . 13 1 1 A 83 83 HIS CA C 83 55.951 54.852 1.099 1
1 1089 . 13 1 1 A 83 83 HIS CB C 83 30.366 27.818 2.548 1
1 1 . 14 1 1 A 2 2 THR HA H 2 3.782 3.971 -0.189 1
1 6 . 14 1 1 A 2 2 THR C C 2 171.502 173.546 -2.044 1
1 7 . 14 1 1 A 2 2 THR CA C 2 61.906 65.577 -3.671 1
1 8 . 14 1 1 A 2 2 THR CB C 2 69.449 66.675 2.774 1
1 10 . 14 1 1 A 3 3 ASP H H 3 8.636 8.098 0.538 1
1 11 . 14 1 1 A 3 3 ASP HA H 3 4.803 5.104 -0.301 1
1 14 . 14 1 1 A 3 3 ASP C C 3 175.330 175.793 -0.463 1
1 15 . 14 1 1 A 3 3 ASP CA C 3 54.454 53.860 0.594 1
1 16 . 14 1 1 A 3 3 ASP CB C 3 41.426 42.325 -0.899 1
1 17 . 14 1 1 A 3 3 ASP N N 3 125.850 121.960 3.890 1
1 18 . 14 1 1 A 4 4 PHE H H 4 8.608 8.543 0.065 1
1 19 . 14 1 1 A 4 4 PHE HA H 4 5.042 5.292 -0.250 1
1 27 . 14 1 1 A 4 4 PHE C C 4 172.986 172.201 0.785 1
1 28 . 14 1 1 A 4 4 PHE CA C 4 55.505 55.899 -0.394 1
1 29 . 14 1 1 A 4 4 PHE CB C 4 41.288 41.165 0.123 1
1 33 . 14 1 1 A 4 4 PHE N N 4 117.566 116.057 1.509 1
1 34 . 14 1 1 A 5 5 LEU H H 5 8.498 8.513 -0.015 1
1 35 . 14 1 1 A 5 5 LEU HA H 5 4.532 3.964 0.568 1
1 45 . 14 1 1 A 5 5 LEU C C 5 175.330 174.531 0.799 1
1 46 . 14 1 1 A 5 5 LEU CA C 5 54.222 53.764 0.458 1
1 47 . 14 1 1 A 5 5 LEU CB C 5 42.932 42.533 0.399 1
1 51 . 14 1 1 A 5 5 LEU N N 5 123.329 122.085 1.244 1
1 52 . 14 1 1 A 6 6 ALA H H 6 9.325 8.943 0.382 1
1 53 . 14 1 1 A 6 6 ALA HA H 6 4.769 5.281 -0.512 1
1 57 . 14 1 1 A 6 6 ALA C C 6 174.744 176.786 -2.042 1
1 58 . 14 1 1 A 6 6 ALA CA C 6 50.500 50.471 0.029 1
1 59 . 14 1 1 A 6 6 ALA CB C 6 23.746 21.657 2.089 1
1 60 . 14 1 1 A 6 6 ALA N N 6 129.530 130.375 -0.845 1
1 61 . 14 1 1 A 7 7 GLY H H 7 8.639 8.726 -0.087 1
1 62 . 14 1 1 A 7 7 GLY HA2 H 7 5.721 4.260 1.461 1
1 63 . 14 1 1 A 7 7 GLY HA3 H 7 3.508 4.269 -0.761 1
1 64 . 14 1 1 A 7 7 GLY C C 7 173.221 171.840 1.381 1
1 65 . 14 1 1 A 7 7 GLY CA C 7 45.351 43.807 1.544 1
1 66 . 14 1 1 A 7 7 GLY N N 7 106.888 107.800 -0.912 1
1 67 . 14 1 1 A 8 8 ILE H H 8 9.356 8.888 0.468 1
1 68 . 14 1 1 A 8 8 ILE HA H 8 4.957 5.073 -0.116 1
1 78 . 14 1 1 A 8 8 ILE C C 8 172.986 173.728 -0.742 1
1 79 . 14 1 1 A 8 8 ILE CA C 8 59.551 59.834 -0.283 1
1 80 . 14 1 1 A 8 8 ILE CB C 8 43.405 41.942 1.463 1
1 84 . 14 1 1 A 8 8 ILE N N 8 122.820 122.820 0.000 1
1 85 . 14 1 1 A 9 9 ARG H H 9 9.364 9.427 -0.063 1
1 86 . 14 1 1 A 9 9 ARG HA H 9 5.609 5.082 0.527 1
1 94 . 14 1 1 A 9 9 ARG C C 9 175.096 174.618 0.478 1
1 95 . 14 1 1 A 9 9 ARG CA C 9 54.192 54.455 -0.263 1
1 96 . 14 1 1 A 9 9 ARG CB C 9 33.400 33.206 0.194 1
1 99 . 14 1 1 A 9 9 ARG N N 9 126.323 128.054 -1.731 1
1 101 . 14 1 1 A 10 10 ILE H H 10 9.479 9.293 0.186 1
1 102 . 14 1 1 A 10 10 ILE HA H 10 5.089 4.931 0.158 1
1 112 . 14 1 1 A 10 10 ILE C C 10 174.275 174.866 -0.591 1
1 113 . 14 1 1 A 10 10 ILE CA C 10 60.127 59.852 0.275 1
1 114 . 14 1 1 A 10 10 ILE CB C 10 42.651 39.214 3.437 1
1 118 . 14 1 1 A 10 10 ILE N N 10 128.583 127.992 0.591 1
1 119 . 14 1 1 A 11 11 VAL H H 11 8.581 8.896 -0.315 1
1 120 . 14 1 1 A 11 11 VAL HA H 11 4.793 4.895 -0.102 1
1 128 . 14 1 1 A 11 11 VAL C C 11 175.827 174.669 1.158 1
1 129 . 14 1 1 A 11 11 VAL CA C 11 60.201 60.279 -0.078 1
1 130 . 14 1 1 A 11 11 VAL CB C 11 34.522 34.089 0.433 1
1 133 . 14 1 1 A 11 11 VAL N N 11 126.323 127.519 -1.196 1
1 134 . 14 1 1 A 12 12 GLY H H 12 7.713 7.346 0.367 1
1 135 . 14 1 1 A 12 12 GLY HA2 H 12 3.434 2.759 0.675 1
1 136 . 14 1 1 A 12 12 GLY HA3 H 12 3.563 3.770 -0.207 1
1 137 . 14 1 1 A 12 12 GLY C C 12 170.332 172.877 -2.545 1
1 138 . 14 1 1 A 12 12 GLY CA C 12 45.842 43.807 2.035 1
1 139 . 14 1 1 A 12 12 GLY N N 12 113.216 112.610 0.606 1
1 140 . 14 1 1 A 13 13 GLU H H 13 8.180 8.452 -0.272 1
1 141 . 14 1 1 A 13 13 GLU HA H 13 4.387 4.440 -0.053 1
1 146 . 14 1 1 A 13 13 GLU C C 13 175.409 175.697 -0.288 1
1 147 . 14 1 1 A 13 13 GLU CA C 13 55.865 56.909 -1.044 1
1 148 . 14 1 1 A 13 13 GLU CB C 13 31.102 30.123 0.979 1
1 150 . 14 1 1 A 13 13 GLU N N 13 119.035 118.657 0.378 1
1 151 . 14 1 1 A 14 14 ASP H H 14 8.095 8.775 -0.680 1
1 152 . 14 1 1 A 14 14 ASP HA H 14 4.888 5.011 -0.123 1
1 155 . 14 1 1 A 14 14 ASP C C 14 174.991 175.387 -0.396 1
1 156 . 14 1 1 A 14 14 ASP CA C 14 52.473 53.769 -1.296 1
1 157 . 14 1 1 A 14 14 ASP CB C 14 40.364 41.100 -0.736 1
1 158 . 14 1 1 A 14 14 ASP N N 14 122.877 124.688 -1.811 1
1 159 . 14 1 1 A 15 15 LYS H H 15 7.345 8.600 -1.255 1
1 160 . 14 1 1 A 15 15 LYS HA H 15 4.550 4.699 -0.149 1
1 169 . 14 1 1 A 15 15 LYS C C 15 176.385 177.721 -1.336 1
1 170 . 14 1 1 A 15 15 LYS CA C 15 54.554 54.570 -0.016 1
1 171 . 14 1 1 A 15 15 LYS CB C 15 35.403 34.695 0.708 1
1 175 . 14 1 1 A 15 15 LYS N N 15 120.221 126.479 -6.258 1
1 176 . 14 1 1 A 16 16 ASN H H 16 9.025 8.637 0.388 1
1 177 . 14 1 1 A 16 16 ASN HA H 16 4.386 4.419 -0.033 1
1 182 . 14 1 1 A 16 16 ASN C C 16 175.916 176.279 -0.363 1
1 183 . 14 1 1 A 16 16 ASN CA C 16 54.966 55.733 -0.767 1
1 184 . 14 1 1 A 16 16 ASN CB C 16 37.810 38.330 -0.520 1
1 185 . 14 1 1 A 16 16 ASN N N 16 119.785 119.152 0.633 1
1 187 . 14 1 1 A 17 17 GLY H H 17 8.780 7.769 1.011 1
1 188 . 14 1 1 A 17 17 GLY HA2 H 17 4.125 4.098 0.027 1
1 189 . 14 1 1 A 17 17 GLY HA3 H 17 3.970 4.116 -0.146 1
1 190 . 14 1 1 A 17 17 GLY C C 17 176.151 175.116 1.035 1
1 191 . 14 1 1 A 17 17 GLY CA C 17 45.996 45.559 0.437 1
1 192 . 14 1 1 A 17 17 GLY N N 17 110.504 105.635 4.869 1
1 193 . 14 1 1 A 18 18 MET H H 18 7.989 7.766 0.223 1
1 194 . 14 1 1 A 18 18 MET HA H 18 4.359 4.086 0.273 1
1 202 . 14 1 1 A 18 18 MET C C 18 178.589 177.940 0.649 1
1 203 . 14 1 1 A 18 18 MET CA C 18 57.405 58.219 -0.814 1
1 204 . 14 1 1 A 18 18 MET CB C 18 31.847 33.415 -1.568 1
1 207 . 14 1 1 A 18 18 MET N N 18 121.860 119.853 2.007 1
1 208 . 14 1 1 A 19 19 THR H H 19 8.807 8.067 0.740 1
1 209 . 14 1 1 A 19 19 THR HA H 19 3.233 3.370 -0.137 1
1 215 . 14 1 1 A 19 19 THR C C 19 177.909 176.412 1.497 1
1 216 . 14 1 1 A 19 19 THR CA C 19 65.516 65.579 -0.063 1
1 217 . 14 1 1 A 19 19 THR CB C 19 67.000 68.041 -1.041 1
1 219 . 14 1 1 A 19 19 THR N N 19 111.351 112.116 -0.765 1
1 220 . 14 1 1 A 20 20 ASN H H 20 7.936 8.076 -0.140 1
1 221 . 14 1 1 A 20 20 ASN HA H 20 4.083 4.335 -0.252 1
1 226 . 14 1 1 A 20 20 ASN C C 20 176.854 176.999 -0.145 1
1 227 . 14 1 1 A 20 20 ASN CA C 20 57.669 56.557 1.112 1
1 228 . 14 1 1 A 20 20 ASN CB C 20 36.625 38.947 -2.322 1
1 229 . 14 1 1 A 20 20 ASN N N 20 121.577 120.730 0.847 1
1 231 . 14 1 1 A 21 21 GLN H H 21 8.433 8.127 0.306 1
1 232 . 14 1 1 A 21 21 GLN HA H 21 4.046 3.983 0.063 1
1 239 . 14 1 1 A 21 21 GLN C C 21 179.550 178.231 1.319 1
1 240 . 14 1 1 A 21 21 GLN CA C 21 59.187 58.484 0.703 1
1 241 . 14 1 1 A 21 21 GLN CB C 21 28.512 27.989 0.523 1
1 243 . 14 1 1 A 21 21 GLN N N 21 120.250 116.851 3.399 1
1 245 . 14 1 1 A 22 22 ILE H H 22 8.779 8.031 0.748 1
1 246 . 14 1 1 A 22 22 ILE HA H 22 3.823 3.595 0.228 1
1 256 . 14 1 1 A 22 22 ILE C C 22 176.854 177.945 -1.091 1
1 257 . 14 1 1 A 22 22 ILE CA C 22 61.611 65.279 -3.668 1
1 258 . 14 1 1 A 22 22 ILE CB C 22 36.935 37.909 -0.974 1
1 262 . 14 1 1 A 22 22 ILE N N 22 119.497 121.175 -1.678 1
1 263 . 14 1 1 A 23 23 THR H H 23 7.478 7.843 -0.365 1
1 264 . 14 1 1 A 23 23 THR HA H 23 3.523 3.913 -0.390 1
1 270 . 14 1 1 A 23 23 THR C C 23 176.502 176.733 -0.231 1
1 271 . 14 1 1 A 23 23 THR CA C 23 67.006 66.506 0.500 1
1 272 . 14 1 1 A 23 23 THR CB C 23 67.305 68.006 -0.701 1
1 274 . 14 1 1 A 23 23 THR N N 23 115.702 116.347 -0.645 1
1 275 . 14 1 1 A 24 24 GLY H H 24 8.011 8.302 -0.291 1
1 276 . 14 1 1 A 24 24 GLY HA2 H 24 3.880 3.656 0.224 1
1 277 . 14 1 1 A 24 24 GLY HA3 H 24 3.672 3.662 0.010 1
1 278 . 14 1 1 A 24 24 GLY C C 24 176.385 175.225 1.160 1
1 279 . 14 1 1 A 24 24 GLY CA C 24 47.163 47.344 -0.181 1
1 280 . 14 1 1 A 24 24 GLY N N 24 110.691 107.888 2.803 1
1 281 . 14 1 1 A 25 25 VAL H H 25 7.898 8.634 -0.736 1
1 282 . 14 1 1 A 25 25 VAL HA H 25 3.473 3.639 -0.166 1
1 290 . 14 1 1 A 25 25 VAL C C 25 178.286 177.559 0.727 1
1 291 . 14 1 1 A 25 25 VAL CA C 25 66.432 65.761 0.671 1
1 292 . 14 1 1 A 25 25 VAL CB C 25 31.925 31.561 0.364 1
1 295 . 14 1 1 A 25 25 VAL N N 25 123.276 122.578 0.698 1
1 296 . 14 1 1 A 26 26 ILE H H 26 7.646 8.002 -0.356 1
1 297 . 14 1 1 A 26 26 ILE HA H 26 2.698 2.015 0.683 1
1 307 . 14 1 1 A 26 26 ILE C C 26 177.440 177.963 -0.523 1
1 308 . 14 1 1 A 26 26 ILE CA C 26 64.163 64.444 -0.281 1
1 309 . 14 1 1 A 26 26 ILE CB C 26 37.876 37.475 0.401 1
1 313 . 14 1 1 A 26 26 ILE N N 26 116.606 120.157 -3.551 1
1 314 . 14 1 1 A 27 27 SER H H 27 7.783 8.162 -0.379 1
1 315 . 14 1 1 A 27 27 SER HA H 27 3.908 4.165 -0.257 1
1 319 . 14 1 1 A 27 27 SER C C 27 175.330 174.973 0.357 1
1 320 . 14 1 1 A 27 27 SER CA C 27 61.465 61.031 0.434 1
1 321 . 14 1 1 A 27 27 SER CB C 27 63.388 62.873 0.515 1
1 322 . 14 1 1 A 27 27 SER N N 27 112.932 115.591 -2.659 1
1 323 . 14 1 1 A 28 28 LYS H H 28 7.008 7.664 -0.656 1
1 324 . 14 1 1 A 28 28 LYS HA H 28 4.234 4.364 -0.130 1
1 333 . 14 1 1 A 28 28 LYS C C 28 177.323 176.149 1.174 1
1 334 . 14 1 1 A 28 28 LYS CA C 28 56.161 55.977 0.184 1
1 335 . 14 1 1 A 28 28 LYS CB C 28 32.742 31.942 0.800 1
1 339 . 14 1 1 A 28 28 LYS N N 28 118.978 116.559 2.419 1
1 340 . 14 1 1 A 29 29 PHE H H 29 7.691 7.380 0.311 1
1 341 . 14 1 1 A 29 29 PHE HA H 29 4.576 4.644 -0.068 1
1 349 . 14 1 1 A 29 29 PHE C C 29 175.841 176.649 -0.808 1
1 350 . 14 1 1 A 29 29 PHE CA C 29 56.366 57.979 -1.613 1
1 351 . 14 1 1 A 29 29 PHE CB C 29 38.723 39.813 -1.090 1
1 355 . 14 1 1 A 29 29 PHE N N 29 120.755 119.969 0.786 1
1 356 . 14 1 1 A 30 30 ASP H H 30 8.388 8.715 -0.327 1
1 357 . 14 1 1 A 30 30 ASP HA H 30 4.650 4.535 0.115 1
1 360 . 14 1 1 A 30 30 ASP C C 30 175.096 176.319 -1.223 1
1 361 . 14 1 1 A 30 30 ASP CA C 30 53.331 56.051 -2.720 1
1 362 . 14 1 1 A 30 30 ASP CB C 30 38.691 41.978 -3.287 1
1 363 . 14 1 1 A 30 30 ASP N N 30 122.230 118.999 3.231 1
1 364 . 14 1 1 A 31 31 THR H H 31 7.663 7.603 0.060 1
1 365 . 14 1 1 A 31 31 THR HA H 31 4.558 4.334 0.224 1
1 370 . 14 1 1 A 31 31 THR C C 31 173.297 173.497 -0.200 1
1 371 . 14 1 1 A 31 31 THR CA C 31 59.333 62.029 -2.696 1
1 372 . 14 1 1 A 31 31 THR CB C 31 70.319 70.001 0.318 1
1 374 . 14 1 1 A 31 31 THR N N 31 112.538 115.638 -3.100 1
1 375 . 14 1 1 A 32 32 ASN H H 32 8.308 8.771 -0.463 1
1 376 . 14 1 1 A 32 32 ASN HA H 32 4.910 5.473 -0.563 1
1 381 . 14 1 1 A 32 32 ASN C C 32 175.447 174.882 0.565 1
1 382 . 14 1 1 A 32 32 ASN CA C 32 52.732 51.628 1.104 1
1 383 . 14 1 1 A 32 32 ASN CB C 32 39.337 41.654 -2.317 1
1 384 . 14 1 1 A 32 32 ASN N N 32 121.973 123.093 -1.120 1
1 386 . 14 1 1 A 33 33 ILE H H 33 8.320 9.024 -0.704 1
1 387 . 14 1 1 A 33 33 ILE HA H 33 3.846 4.153 -0.307 1
1 397 . 14 1 1 A 33 33 ILE C C 33 175.230 175.857 -0.627 1
1 398 . 14 1 1 A 33 33 ILE CA C 33 63.300 61.626 1.674 1
1 399 . 14 1 1 A 33 33 ILE CB C 33 39.167 37.002 2.165 1
1 403 . 14 1 1 A 33 33 ILE N N 33 125.984 125.842 0.142 1
1 404 . 14 1 1 A 34 34 ARG H H 34 8.858 9.033 -0.175 1
1 405 . 14 1 1 A 34 34 ARG HA H 34 4.538 4.548 -0.010 1
1 413 . 14 1 1 A 34 34 ARG C C 34 175.565 176.558 -0.993 1
1 414 . 14 1 1 A 34 34 ARG CA C 34 54.900 57.452 -2.552 1
1 415 . 14 1 1 A 34 34 ARG CB C 34 30.275 31.445 -1.170 1
1 418 . 14 1 1 A 34 34 ARG N N 34 126.537 128.382 -1.845 1
1 420 . 14 1 1 A 35 35 THR H H 35 7.698 7.475 0.223 1
1 421 . 14 1 1 A 35 35 THR HA H 35 5.311 4.966 0.345 1
1 426 . 14 1 1 A 35 35 THR C C 35 173.807 172.239 1.568 1
1 427 . 14 1 1 A 35 35 THR CA C 35 61.040 61.038 0.002 1
1 428 . 14 1 1 A 35 35 THR CB C 35 74.055 73.746 0.309 1
1 430 . 14 1 1 A 35 35 THR N N 35 111.895 111.625 0.270 1
1 431 . 14 1 1 A 36 36 ILE H H 36 8.907 8.601 0.306 1
1 432 . 14 1 1 A 36 36 ILE HA H 36 4.753 5.245 -0.492 1
1 442 . 14 1 1 A 36 36 ILE C C 36 174.275 173.337 0.938 1
1 443 . 14 1 1 A 36 36 ILE CA C 36 61.400 60.159 1.241 1
1 444 . 14 1 1 A 36 36 ILE CB C 36 42.569 41.805 0.764 1
1 448 . 14 1 1 A 36 36 ILE N N 36 123.257 124.393 -1.136 1
1 449 . 14 1 1 A 37 37 VAL H H 37 8.933 8.711 0.222 1
1 450 . 14 1 1 A 37 37 VAL HA H 37 4.903 4.717 0.186 1
1 458 . 14 1 1 A 37 37 VAL C C 37 174.684 174.047 0.637 1
1 459 . 14 1 1 A 37 37 VAL CA C 37 62.100 61.535 0.565 1
1 460 . 14 1 1 A 37 37 VAL CB C 37 34.186 34.085 0.101 1
1 463 . 14 1 1 A 37 37 VAL N N 37 126.323 128.838 -2.515 1
1 464 . 14 1 1 A 38 38 LEU H H 38 9.751 9.104 0.647 1
1 465 . 14 1 1 A 38 38 LEU HA H 38 5.636 5.722 -0.086 1
1 475 . 14 1 1 A 38 38 LEU C C 38 174.510 175.169 -0.659 1
1 476 . 14 1 1 A 38 38 LEU CA C 38 53.810 53.466 0.344 1
1 477 . 14 1 1 A 38 38 LEU CB C 38 45.655 45.505 0.150 1
1 481 . 14 1 1 A 38 38 LEU N N 38 133.332 130.226 3.106 1
1 482 . 14 1 1 A 39 39 ASN H H 39 8.952 9.036 -0.084 1
1 483 . 14 1 1 A 39 39 ASN HA H 39 5.450 5.440 0.010 1
1 488 . 14 1 1 A 39 39 ASN C C 39 172.869 173.615 -0.746 1
1 489 . 14 1 1 A 39 39 ASN CA C 39 53.137 51.428 1.709 1
1 490 . 14 1 1 A 39 39 ASN CB C 39 43.287 42.581 0.706 1
1 491 . 14 1 1 A 39 39 ASN N N 39 123.262 123.175 0.087 1
1 493 . 14 1 1 A 40 40 ALA H H 40 8.467 8.790 -0.323 1
1 494 . 14 1 1 A 40 40 ALA HA H 40 5.345 5.746 -0.401 1
1 498 . 14 1 1 A 40 40 ALA C C 40 175.447 176.232 -0.785 1
1 499 . 14 1 1 A 40 40 ALA CA C 40 51.370 50.130 1.240 1
1 500 . 14 1 1 A 40 40 ALA CB C 40 20.975 21.699 -0.724 1
1 501 . 14 1 1 A 40 40 ALA N N 40 127.058 123.710 3.348 1
1 502 . 14 1 1 A 41 41 LYS H H 41 8.865 8.774 0.091 1
1 503 . 14 1 1 A 41 41 LYS HA H 41 4.435 4.867 -0.432 1
1 512 . 14 1 1 A 41 41 LYS C C 41 175.565 174.737 0.828 1
1 513 . 14 1 1 A 41 41 LYS CA C 41 56.736 54.835 1.901 1
1 514 . 14 1 1 A 41 41 LYS CB C 41 34.811 35.771 -0.960 1
1 518 . 14 1 1 A 41 41 LYS N N 41 121.996 120.262 1.734 1
1 519 . 14 1 1 A 42 42 ASP H H 42 9.197 9.320 -0.123 1
1 520 . 14 1 1 A 42 42 ASP HA H 42 4.373 4.374 -0.001 1
1 523 . 14 1 1 A 42 42 ASP C C 42 175.447 176.284 -0.837 1
1 524 . 14 1 1 A 42 42 ASP CA C 42 55.547 55.339 0.208 1
1 525 . 14 1 1 A 42 42 ASP CB C 42 39.485 39.334 0.151 1
1 526 . 14 1 1 A 42 42 ASP N N 42 122.213 119.335 2.878 1
1 527 . 14 1 1 A 43 43 GLY H H 43 9.306 8.697 0.609 1
1 528 . 14 1 1 A 43 43 GLY HA2 H 43 4.443 3.881 0.562 1
1 529 . 14 1 1 A 43 43 GLY HA3 H 43 3.816 3.883 -0.067 1
1 530 . 14 1 1 A 43 43 GLY C C 43 174.979 173.902 1.077 1
1 531 . 14 1 1 A 43 43 GLY CA C 43 45.661 45.535 0.126 1
1 532 . 14 1 1 A 43 43 GLY N N 43 104.610 104.599 0.011 1
1 533 . 14 1 1 A 44 44 ILE H H 44 8.117 8.129 -0.012 1
1 534 . 14 1 1 A 44 44 ILE HA H 44 5.112 4.851 0.261 1
1 544 . 14 1 1 A 44 44 ILE C C 44 175.213 174.934 0.279 1
1 545 . 14 1 1 A 44 44 ILE CA C 44 59.040 59.388 -0.348 1
1 546 . 14 1 1 A 44 44 ILE CB C 44 42.013 40.758 1.255 1
1 550 . 14 1 1 A 44 44 ILE N N 44 122.284 122.039 0.245 1
1 551 . 14 1 1 A 45 45 PHE H H 45 8.955 8.831 0.124 1
1 552 . 14 1 1 A 45 45 PHE HA H 45 5.740 5.783 -0.043 1
1 560 . 14 1 1 A 45 45 PHE C C 45 172.283 172.627 -0.344 1
1 561 . 14 1 1 A 45 45 PHE CA C 45 55.872 55.096 0.776 1
1 562 . 14 1 1 A 45 45 PHE CB C 45 42.740 42.667 0.073 1
1 566 . 14 1 1 A 45 45 PHE N N 45 121.747 120.057 1.690 1
1 567 . 14 1 1 A 46 46 THR H H 46 8.659 8.980 -0.321 1
1 568 . 14 1 1 A 46 46 THR HA H 46 5.111 5.523 -0.412 1
1 574 . 14 1 1 A 46 46 THR C C 46 174.041 172.004 2.037 1
1 575 . 14 1 1 A 46 46 THR CA C 46 59.750 59.708 0.042 1
1 576 . 14 1 1 A 46 46 THR CB C 46 71.380 71.314 0.066 1
1 578 . 14 1 1 A 46 46 THR N N 46 113.420 114.955 -1.535 1
1 579 . 14 1 1 A 47 47 CYS H H 47 9.619 9.387 0.232 1
1 580 . 14 1 1 A 47 47 CYS HA H 47 5.562 5.537 0.025 1
1 584 . 14 1 1 A 47 47 CYS C C 47 172.283 172.919 -0.636 1
1 585 . 14 1 1 A 47 47 CYS CA C 47 56.776 56.983 -0.207 1
1 586 . 14 1 1 A 47 47 CYS CB C 47 29.112 30.337 -1.225 1
1 587 . 14 1 1 A 47 47 CYS N N 47 124.781 128.775 -3.994 1
1 588 . 14 1 1 A 48 48 ASN H H 48 9.293 9.326 -0.033 1
1 589 . 14 1 1 A 48 48 ASN HA H 48 5.629 5.486 0.143 1
1 594 . 14 1 1 A 48 48 ASN C C 48 173.455 173.761 -0.306 1
1 595 . 14 1 1 A 48 48 ASN CA C 48 51.962 52.477 -0.515 1
1 596 . 14 1 1 A 48 48 ASN CB C 48 40.059 39.598 0.461 1
1 597 . 14 1 1 A 48 48 ASN N N 48 129.520 125.298 4.222 1
1 599 . 14 1 1 A 49 49 LEU H H 49 9.435 9.309 0.126 1
1 600 . 14 1 1 A 49 49 LEU HA H 49 5.158 4.986 0.172 1
1 610 . 14 1 1 A 49 49 LEU C C 49 174.510 174.560 -0.050 1
1 611 . 14 1 1 A 49 49 LEU CA C 49 53.178 53.709 -0.531 1
1 612 . 14 1 1 A 49 49 LEU CB C 49 46.402 44.379 2.023 1
1 616 . 14 1 1 A 49 49 LEU N N 49 125.541 127.098 -1.557 1
1 617 . 14 1 1 A 50 50 MET H H 50 8.978 9.115 -0.137 1
1 618 . 14 1 1 A 50 50 MET HA H 50 5.723 5.452 0.271 1
1 626 . 14 1 1 A 50 50 MET C C 50 175.682 174.935 0.747 1
1 627 . 14 1 1 A 50 50 MET CA C 50 54.073 53.949 0.124 1
1 628 . 14 1 1 A 50 50 MET CB C 50 33.643 34.689 -1.046 1
1 631 . 14 1 1 A 50 50 MET N N 50 123.131 125.120 -1.989 1
1 632 . 14 1 1 A 51 51 ILE H H 51 9.056 8.821 0.235 1
1 633 . 14 1 1 A 51 51 ILE HA H 51 5.044 5.040 0.004 1
1 643 . 14 1 1 A 51 51 ILE C C 51 173.689 174.230 -0.541 1
1 644 . 14 1 1 A 51 51 ILE CA C 51 58.495 59.064 -0.569 1
1 645 . 14 1 1 A 51 51 ILE CB C 51 41.447 42.212 -0.765 1
1 649 . 14 1 1 A 51 51 ILE N N 51 118.753 118.491 0.262 1
1 650 . 14 1 1 A 52 52 PHE H H 52 8.324 9.024 -0.700 1
1 651 . 14 1 1 A 52 52 PHE HA H 52 5.345 5.144 0.201 1
1 659 . 14 1 1 A 52 52 PHE C C 52 176.084 175.526 0.558 1
1 660 . 14 1 1 A 52 52 PHE CA C 52 56.478 57.253 -0.775 1
1 661 . 14 1 1 A 52 52 PHE CB C 52 40.520 40.766 -0.246 1
1 665 . 14 1 1 A 52 52 PHE N N 52 120.910 122.130 -1.220 1
1 666 . 14 1 1 A 53 53 VAL H H 53 8.865 8.272 0.593 1
1 667 . 14 1 1 A 53 53 VAL HA H 53 4.663 4.682 -0.019 1
1 675 . 14 1 1 A 53 53 VAL C C 53 174.812 176.088 -1.276 1
1 676 . 14 1 1 A 53 53 VAL CA C 53 58.881 59.203 -0.322 1
1 677 . 14 1 1 A 53 53 VAL CB C 53 35.707 34.801 0.906 1
1 680 . 14 1 1 A 53 53 VAL N N 53 118.244 115.652 2.592 1
1 681 . 14 1 1 A 54 54 LYS H H 54 8.335 8.639 -0.304 1
1 682 . 14 1 1 A 54 54 LYS HA H 54 4.324 4.144 0.180 1
1 691 . 14 1 1 A 54 54 LYS C C 54 176.655 176.402 0.253 1
1 692 . 14 1 1 A 54 54 LYS CA C 54 58.039 57.999 0.040 1
1 693 . 14 1 1 A 54 54 LYS CB C 54 33.974 32.460 1.514 1
1 697 . 14 1 1 A 54 54 LYS N N 54 120.334 121.841 -1.507 1
1 698 . 14 1 1 A 55 55 ASN H H 55 7.235 7.640 -0.405 1
1 699 . 14 1 1 A 55 55 ASN HA H 55 4.888 5.236 -0.348 1
1 704 . 14 1 1 A 55 55 ASN C C 55 175.083 175.298 -0.215 1
1 705 . 14 1 1 A 55 55 ASN CA C 55 52.173 52.002 0.171 1
1 706 . 14 1 1 A 55 55 ASN CB C 55 39.333 40.356 -1.023 1
1 707 . 14 1 1 A 55 55 ASN N N 55 108.018 114.657 -6.639 1
1 709 . 14 1 1 A 56 56 THR H H 56 8.865 8.629 0.236 1
1 710 . 14 1 1 A 56 56 THR HA H 56 4.036 4.230 -0.194 1
1 715 . 14 1 1 A 56 56 THR C C 56 178.637 176.458 2.179 1
1 716 . 14 1 1 A 56 56 THR CA C 56 65.800 65.804 -0.004 1
1 717 . 14 1 1 A 56 56 THR CB C 56 68.341 68.380 -0.039 1
1 719 . 14 1 1 A 56 56 THR N N 56 113.338 112.661 0.677 1
1 720 . 14 1 1 A 57 57 ASP H H 57 8.384 8.425 -0.041 1
1 721 . 14 1 1 A 57 57 ASP HA H 57 4.467 4.308 0.159 1
1 724 . 14 1 1 A 57 57 ASP CA C 57 57.400 57.913 -0.513 1
1 725 . 14 1 1 A 57 57 ASP CB C 57 39.938 41.044 -1.106 1
1 726 . 14 1 1 A 57 57 ASP N N 57 124.402 121.926 2.476 1
1 727 . 14 1 1 A 58 58 LYS H H 58 8.266 8.176 0.090 1
1 728 . 14 1 1 A 58 58 LYS HA H 58 4.172 4.019 0.153 1
1 740 . 14 1 1 A 58 58 LYS C C 58 178.378 178.458 -0.080 1
1 741 . 14 1 1 A 58 58 LYS CA C 58 57.695 58.649 -0.954 1
1 742 . 14 1 1 A 58 58 LYS CB C 58 31.763 32.092 -0.329 1
1 746 . 14 1 1 A 58 58 LYS N N 58 120.194 119.718 0.476 1
1 747 . 14 1 1 A 59 59 LEU H H 59 7.302 7.360 -0.058 1
1 748 . 14 1 1 A 59 59 LEU HA H 59 3.907 4.024 -0.117 1
1 758 . 14 1 1 A 59 59 LEU C C 59 177.909 178.171 -0.262 1
1 759 . 14 1 1 A 59 59 LEU CA C 59 57.979 57.751 0.228 1
1 760 . 14 1 1 A 59 59 LEU CB C 59 41.727 41.748 -0.021 1
1 764 . 14 1 1 A 59 59 LEU N N 59 118.583 120.748 -2.165 1
1 765 . 14 1 1 A 60 60 THR H H 60 8.500 8.237 0.263 1
1 766 . 14 1 1 A 60 60 THR HA H 60 3.845 3.997 -0.152 1
1 771 . 14 1 1 A 60 60 THR C C 60 176.502 177.062 -0.560 1
1 772 . 14 1 1 A 60 60 THR CA C 60 66.691 65.471 1.220 1
1 773 . 14 1 1 A 60 60 THR CB C 60 68.390 68.754 -0.364 1
1 775 . 14 1 1 A 60 60 THR N N 60 115.462 114.249 1.213 1
1 776 . 14 1 1 A 61 61 THR H H 61 7.996 8.052 -0.056 1
1 777 . 14 1 1 A 61 61 THR HA H 61 4.053 3.954 0.099 1
1 782 . 14 1 1 A 61 61 THR C C 61 176.502 176.662 -0.160 1
1 783 . 14 1 1 A 61 61 THR CA C 61 66.420 66.872 -0.452 1
1 784 . 14 1 1 A 61 61 THR CB C 61 68.549 68.090 0.459 1
1 786 . 14 1 1 A 61 61 THR N N 61 117.698 116.923 0.775 1
1 787 . 14 1 1 A 62 62 LEU H H 62 7.717 8.183 -0.466 1
1 788 . 14 1 1 A 62 62 LEU HA H 62 3.542 3.762 -0.220 1
1 798 . 14 1 1 A 62 62 LEU C C 62 178.612 179.393 -0.781 1
1 799 . 14 1 1 A 62 62 LEU CA C 62 57.988 57.795 0.193 1
1 800 . 14 1 1 A 62 62 LEU CB C 62 40.241 40.827 -0.586 1
1 804 . 14 1 1 A 62 62 LEU N N 62 122.534 120.939 1.595 1
1 805 . 14 1 1 A 63 63 MET H H 63 8.230 7.902 0.328 1
1 806 . 14 1 1 A 63 63 MET HA H 63 3.771 4.093 -0.322 1
1 814 . 14 1 1 A 63 63 MET C C 63 177.674 178.108 -0.434 1
1 815 . 14 1 1 A 63 63 MET CA C 63 60.699 58.907 1.792 1
1 816 . 14 1 1 A 63 63 MET CB C 63 33.024 32.429 0.595 1
1 819 . 14 1 1 A 63 63 MET N N 63 116.719 117.988 -1.269 1
1 820 . 14 1 1 A 64 64 ASP H H 64 8.263 7.915 0.348 1
1 821 . 14 1 1 A 64 64 ASP HA H 64 4.401 4.317 0.084 1
1 824 . 14 1 1 A 64 64 ASP C C 64 178.378 178.617 -0.239 1
1 825 . 14 1 1 A 64 64 ASP CA C 64 57.400 57.524 -0.124 1
1 826 . 14 1 1 A 64 64 ASP CB C 64 40.703 41.800 -1.097 1
1 827 . 14 1 1 A 64 64 ASP N N 64 118.611 120.391 -1.780 1
1 828 . 14 1 1 A 65 65 LYS H H 65 7.755 7.744 0.011 1
1 829 . 14 1 1 A 65 65 LYS HA H 65 3.970 4.083 -0.113 1
1 838 . 14 1 1 A 65 65 LYS C C 65 179.922 179.446 0.476 1
1 839 . 14 1 1 A 65 65 LYS CA C 65 59.466 59.309 0.157 1
1 840 . 14 1 1 A 65 65 LYS CB C 65 32.372 32.853 -0.481 1
1 844 . 14 1 1 A 65 65 LYS N N 65 118.452 118.066 0.386 1
1 845 . 14 1 1 A 66 66 LEU H H 66 7.768 8.033 -0.265 1
1 846 . 14 1 1 A 66 66 LEU HA H 66 4.066 4.194 -0.128 1
1 856 . 14 1 1 A 66 66 LEU C C 66 177.557 179.561 -2.004 1
1 857 . 14 1 1 A 66 66 LEU CA C 66 57.550 56.937 0.613 1
1 858 . 14 1 1 A 66 66 LEU CB C 66 43.218 41.674 1.544 1
1 862 . 14 1 1 A 66 66 LEU N N 66 118.471 119.457 -0.986 1
1 863 . 14 1 1 A 67 67 ARG H H 67 8.017 8.506 -0.489 1
1 864 . 14 1 1 A 67 67 ARG HA H 67 3.855 4.268 -0.413 1
1 872 . 14 1 1 A 67 67 ARG C C 67 177.440 177.761 -0.321 1
1 873 . 14 1 1 A 67 67 ARG CA C 67 58.584 58.185 0.399 1
1 874 . 14 1 1 A 67 67 ARG CB C 67 30.313 29.991 0.322 1
1 877 . 14 1 1 A 67 67 ARG N N 67 115.702 119.706 -4.004 1
1 879 . 14 1 1 A 68 68 LYS H H 68 7.168 7.344 -0.176 1
1 880 . 14 1 1 A 68 68 LYS HA H 68 4.198 4.347 -0.149 1
1 889 . 14 1 1 A 68 68 LYS C C 68 176.502 176.703 -0.201 1
1 890 . 14 1 1 A 68 68 LYS CA C 68 56.149 57.246 -1.097 1
1 891 . 14 1 1 A 68 68 LYS CB C 68 32.725 32.502 0.223 1
1 895 . 14 1 1 A 68 68 LYS N N 68 115.213 117.395 -2.182 1
1 896 . 14 1 1 A 69 69 VAL H H 69 7.348 7.324 0.024 1
1 897 . 14 1 1 A 69 69 VAL HA H 69 3.776 4.213 -0.437 1
1 905 . 14 1 1 A 69 69 VAL C C 69 175.916 176.955 -1.039 1
1 906 . 14 1 1 A 69 69 VAL CA C 69 63.134 62.562 0.572 1
1 907 . 14 1 1 A 69 69 VAL CB C 69 31.075 31.945 -0.870 1
1 910 . 14 1 1 A 69 69 VAL N N 69 123.611 120.369 3.242 1
1 911 . 14 1 1 A 70 70 GLN H H 70 8.632 8.642 -0.010 1
1 912 . 14 1 1 A 70 70 GLN HA H 70 4.072 4.113 -0.041 1
1 919 . 14 1 1 A 70 70 GLN C C 70 176.151 177.182 -1.031 1
1 920 . 14 1 1 A 70 70 GLN CA C 70 57.800 57.861 -0.061 1
1 921 . 14 1 1 A 70 70 GLN CB C 70 28.100 28.207 -0.107 1
1 923 . 14 1 1 A 70 70 GLN N N 70 130.070 126.761 3.309 1
1 925 . 14 1 1 A 71 71 GLY H H 71 8.783 8.172 0.611 1
1 926 . 14 1 1 A 71 71 GLY HA2 H 71 4.598 4.035 0.563 1
1 927 . 14 1 1 A 71 71 GLY HA3 H 71 3.677 4.052 -0.375 1
1 928 . 14 1 1 A 71 71 GLY C C 71 173.924 174.145 -0.221 1
1 929 . 14 1 1 A 71 71 GLY CA C 71 44.941 45.434 -0.493 1
1 930 . 14 1 1 A 71 71 GLY N N 71 113.801 107.912 5.889 1
1 931 . 14 1 1 A 72 72 VAL H H 72 7.805 7.744 0.061 1
1 932 . 14 1 1 A 72 72 VAL HA H 72 3.723 3.864 -0.141 1
1 940 . 14 1 1 A 72 72 VAL C C 72 176.502 175.927 0.575 1
1 941 . 14 1 1 A 72 72 VAL CA C 72 64.020 62.689 1.331 1
1 942 . 14 1 1 A 72 72 VAL CB C 72 32.003 32.054 -0.051 1
1 945 . 14 1 1 A 72 72 VAL N N 72 120.334 120.527 -0.193 1
1 946 . 14 1 1 A 73 73 PHE H H 73 9.522 7.420 2.102 1
1 947 . 14 1 1 A 73 73 PHE HA H 73 5.109 4.778 0.331 1
1 955 . 14 1 1 A 73 73 PHE C C 73 176.502 174.676 1.826 1
1 956 . 14 1 1 A 73 73 PHE CA C 73 56.354 56.654 -0.300 1
1 957 . 14 1 1 A 73 73 PHE CB C 73 39.615 39.965 -0.350 1
1 961 . 14 1 1 A 73 73 PHE N N 73 127.542 122.995 4.547 1
1 962 . 14 1 1 A 74 74 THR H H 74 7.972 7.539 0.433 1
1 963 . 14 1 1 A 74 74 THR HA H 74 4.736 4.919 -0.183 1
1 968 . 14 1 1 A 74 74 THR C C 74 172.400 173.569 -1.169 1
1 969 . 14 1 1 A 74 74 THR CA C 74 60.604 60.625 -0.021 1
1 970 . 14 1 1 A 74 74 THR CB C 74 72.576 71.047 1.529 1
1 972 . 14 1 1 A 74 74 THR N N 74 111.809 110.424 1.385 1
1 973 . 14 1 1 A 75 75 VAL H H 75 8.584 9.070 -0.486 1
1 974 . 14 1 1 A 75 75 VAL HA H 75 4.878 4.771 0.107 1
1 982 . 14 1 1 A 75 75 VAL C C 75 174.510 174.951 -0.441 1
1 983 . 14 1 1 A 75 75 VAL CA C 75 61.844 61.596 0.248 1
1 984 . 14 1 1 A 75 75 VAL CB C 75 34.500 33.654 0.846 1
1 987 . 14 1 1 A 75 75 VAL N N 75 122.820 126.015 -3.195 1
1 988 . 14 1 1 A 76 76 GLU H H 76 9.029 8.949 0.080 1
1 989 . 14 1 1 A 76 76 GLU HA H 76 4.861 5.011 -0.150 1
1 994 . 14 1 1 A 76 76 GLU C C 76 174.510 174.585 -0.075 1
1 995 . 14 1 1 A 76 76 GLU CA C 76 53.757 54.220 -0.463 1
1 996 . 14 1 1 A 76 76 GLU CB C 76 34.230 33.607 0.623 1
1 998 . 14 1 1 A 76 76 GLU N N 76 124.572 124.051 0.521 1
1 999 . 14 1 1 A 77 77 ARG H H 77 8.962 8.554 0.408 1
1 1000 . 14 1 1 A 77 77 ARG HA H 77 4.736 4.784 -0.048 1
1 1008 . 14 1 1 A 77 77 ARG C C 77 176.502 175.254 1.248 1
1 1009 . 14 1 1 A 77 77 ARG CA C 77 55.521 55.540 -0.019 1
1 1010 . 14 1 1 A 77 77 ARG CB C 77 30.893 31.680 -0.787 1
1 1013 . 14 1 1 A 77 77 ARG N N 77 122.875 123.509 -0.634 1
1 1015 . 14 1 1 A 78 78 LEU H H 78 8.252 9.319 -1.067 1
1 1016 . 14 1 1 A 78 78 LEU HA H 78 4.505 4.617 -0.112 1
1 1026 . 14 1 1 A 78 78 LEU C C 78 176.737 176.879 -0.142 1
1 1027 . 14 1 1 A 78 78 LEU CA C 78 53.875 53.961 -0.086 1
1 1028 . 14 1 1 A 78 78 LEU CB C 78 43.228 41.641 1.587 1
1 1032 . 14 1 1 A 78 78 LEU N N 78 127.062 128.095 -1.033 1
1 1033 . 14 1 1 A 79 79 SER H H 79 8.635 8.942 -0.307 1
1 1034 . 14 1 1 A 79 79 SER HA H 79 4.492 4.471 0.021 1
1 1037 . 14 1 1 A 79 79 SER C C 79 174.041 174.312 -0.271 1
1 1038 . 14 1 1 A 79 79 SER CA C 79 58.465 60.980 -2.515 1
1 1039 . 14 1 1 A 79 79 SER CB C 79 63.993 63.495 0.498 1
1 1040 . 14 1 1 A 79 79 SER N N 79 118.446 120.724 -2.278 1
1 1041 . 14 1 1 A 80 80 ASN H H 80 8.421 7.633 0.788 1
1 1042 . 14 1 1 A 80 80 ASN HA H 80 4.668 4.743 -0.075 1
1 1047 . 14 1 1 A 80 80 ASN C C 80 175.096 175.200 -0.104 1
1 1048 . 14 1 1 A 80 80 ASN CA C 80 53.300 53.484 -0.184 1
1 1049 . 14 1 1 A 80 80 ASN CB C 80 38.300 38.982 -0.682 1
1 1050 . 14 1 1 A 80 80 ASN N N 80 119.339 115.827 3.512 1
1 1052 . 14 1 1 A 81 81 LEU H H 81 8.256 8.850 -0.594 1
1 1053 . 14 1 1 A 81 81 LEU HA H 81 4.258 5.054 -0.796 1
1 1063 . 14 1 1 A 81 81 LEU C C 81 177.323 177.364 -0.041 1
1 1064 . 14 1 1 A 81 81 LEU CA C 81 55.263 53.398 1.865 1
1 1065 . 14 1 1 A 81 81 LEU CB C 81 41.756 45.867 -4.111 1
1 1069 . 14 1 1 A 81 81 LEU N N 81 121.238 124.231 -2.993 1
1 1070 . 14 1 1 A 82 82 GLU H H 82 8.282 9.222 -0.940 1
1 1071 . 14 1 1 A 82 82 GLU HA H 82 4.169 4.204 -0.035 1
1 1076 . 14 1 1 A 82 82 GLU C C 82 176.385 177.827 -1.442 1
1 1077 . 14 1 1 A 82 82 GLU CA C 82 56.762 58.181 -1.419 1
1 1078 . 14 1 1 A 82 82 GLU CB C 82 29.997 28.701 1.296 1
1 1080 . 14 1 1 A 82 82 GLU N N 82 120.037 120.977 -0.940 1
1 1081 . 14 1 1 A 83 83 HIS H H 83 8.195 7.834 0.361 1
1 1082 . 14 1 1 A 83 83 HIS HA H 83 4.535 4.397 0.138 1
1 1087 . 14 1 1 A 83 83 HIS C C 83 175.081 175.569 -0.488 1
1 1088 . 14 1 1 A 83 83 HIS CA C 83 55.951 59.452 -3.501 1
1 1089 . 14 1 1 A 83 83 HIS CB C 83 30.366 30.102 0.264 1
1 1 . 15 1 1 A 2 2 THR HA H 2 3.782 5.211 -1.429 1
1 6 . 15 1 1 A 2 2 THR C C 2 171.502 172.662 -1.160 1
1 7 . 15 1 1 A 2 2 THR CA C 2 61.906 59.670 2.236 1
1 8 . 15 1 1 A 2 2 THR CB C 2 69.449 72.368 -2.919 1
1 10 . 15 1 1 A 3 3 ASP H H 3 8.636 9.170 -0.534 1
1 11 . 15 1 1 A 3 3 ASP HA H 3 4.803 5.413 -0.610 1
1 14 . 15 1 1 A 3 3 ASP C C 3 175.330 174.716 0.614 1
1 15 . 15 1 1 A 3 3 ASP CA C 3 54.454 52.431 2.023 1
1 16 . 15 1 1 A 3 3 ASP CB C 3 41.426 45.048 -3.622 1
1 17 . 15 1 1 A 3 3 ASP N N 3 125.850 122.549 3.301 1
1 18 . 15 1 1 A 4 4 PHE H H 4 8.608 8.891 -0.283 1
1 19 . 15 1 1 A 4 4 PHE HA H 4 5.042 5.347 -0.305 1
1 27 . 15 1 1 A 4 4 PHE C C 4 172.986 172.417 0.569 1
1 28 . 15 1 1 A 4 4 PHE CA C 4 55.505 56.074 -0.569 1
1 29 . 15 1 1 A 4 4 PHE CB C 4 41.288 41.444 -0.156 1
1 33 . 15 1 1 A 4 4 PHE N N 4 117.566 116.314 1.252 1
1 34 . 15 1 1 A 5 5 LEU H H 5 8.498 8.593 -0.095 1
1 35 . 15 1 1 A 5 5 LEU HA H 5 4.532 4.025 0.507 1
1 45 . 15 1 1 A 5 5 LEU C C 5 175.330 174.562 0.768 1
1 46 . 15 1 1 A 5 5 LEU CA C 5 54.222 53.830 0.392 1
1 47 . 15 1 1 A 5 5 LEU CB C 5 42.932 42.596 0.336 1
1 51 . 15 1 1 A 5 5 LEU N N 5 123.329 122.374 0.955 1
1 52 . 15 1 1 A 6 6 ALA H H 6 9.325 8.855 0.470 1
1 53 . 15 1 1 A 6 6 ALA HA H 6 4.769 5.160 -0.391 1
1 57 . 15 1 1 A 6 6 ALA C C 6 174.744 176.965 -2.221 1
1 58 . 15 1 1 A 6 6 ALA CA C 6 50.500 50.516 -0.016 1
1 59 . 15 1 1 A 6 6 ALA CB C 6 23.746 20.640 3.106 1
1 60 . 15 1 1 A 6 6 ALA N N 6 129.530 130.526 -0.996 1
1 61 . 15 1 1 A 7 7 GLY H H 7 8.639 8.889 -0.250 1
1 62 . 15 1 1 A 7 7 GLY HA2 H 7 5.721 4.232 1.489 1
1 63 . 15 1 1 A 7 7 GLY HA3 H 7 3.508 4.245 -0.737 1
1 64 . 15 1 1 A 7 7 GLY C C 7 173.221 172.001 1.220 1
1 65 . 15 1 1 A 7 7 GLY CA C 7 45.351 43.699 1.652 1
1 66 . 15 1 1 A 7 7 GLY N N 7 106.888 111.189 -4.301 1
1 67 . 15 1 1 A 8 8 ILE H H 8 9.356 8.970 0.386 1
1 68 . 15 1 1 A 8 8 ILE HA H 8 4.957 4.877 0.080 1
1 78 . 15 1 1 A 8 8 ILE C C 8 172.986 173.842 -0.856 1
1 79 . 15 1 1 A 8 8 ILE CA C 8 59.551 59.894 -0.343 1
1 80 . 15 1 1 A 8 8 ILE CB C 8 43.405 41.985 1.420 1
1 84 . 15 1 1 A 8 8 ILE N N 8 122.820 122.425 0.395 1
1 85 . 15 1 1 A 9 9 ARG H H 9 9.364 9.599 -0.235 1
1 86 . 15 1 1 A 9 9 ARG HA H 9 5.609 5.027 0.582 1
1 94 . 15 1 1 A 9 9 ARG C C 9 175.096 174.812 0.284 1
1 95 . 15 1 1 A 9 9 ARG CA C 9 54.192 54.567 -0.375 1
1 96 . 15 1 1 A 9 9 ARG CB C 9 33.400 33.101 0.299 1
1 99 . 15 1 1 A 9 9 ARG N N 9 126.323 128.071 -1.748 1
1 101 . 15 1 1 A 10 10 ILE H H 10 9.479 8.841 0.638 1
1 102 . 15 1 1 A 10 10 ILE HA H 10 5.089 4.958 0.131 1
1 112 . 15 1 1 A 10 10 ILE C C 10 174.275 174.461 -0.186 1
1 113 . 15 1 1 A 10 10 ILE CA C 10 60.127 59.829 0.298 1
1 114 . 15 1 1 A 10 10 ILE CB C 10 42.651 39.987 2.664 1
1 118 . 15 1 1 A 10 10 ILE N N 10 128.583 127.238 1.345 1
1 119 . 15 1 1 A 11 11 VAL H H 11 8.581 8.845 -0.264 1
1 120 . 15 1 1 A 11 11 VAL HA H 11 4.793 4.919 -0.126 1
1 128 . 15 1 1 A 11 11 VAL C C 11 175.827 174.496 1.331 1
1 129 . 15 1 1 A 11 11 VAL CA C 11 60.201 60.343 -0.142 1
1 130 . 15 1 1 A 11 11 VAL CB C 11 34.522 33.711 0.811 1
1 133 . 15 1 1 A 11 11 VAL N N 11 126.323 128.132 -1.809 1
1 134 . 15 1 1 A 12 12 GLY H H 12 7.713 7.190 0.523 1
1 135 . 15 1 1 A 12 12 GLY HA2 H 12 3.434 3.256 0.178 1
1 136 . 15 1 1 A 12 12 GLY HA3 H 12 3.563 3.903 -0.340 1
1 137 . 15 1 1 A 12 12 GLY C C 12 170.332 172.747 -2.415 1
1 138 . 15 1 1 A 12 12 GLY CA C 12 45.842 43.677 2.165 1
1 139 . 15 1 1 A 12 12 GLY N N 12 113.216 113.781 -0.565 1
1 140 . 15 1 1 A 13 13 GLU H H 13 8.180 8.155 0.025 1
1 141 . 15 1 1 A 13 13 GLU HA H 13 4.387 4.436 -0.049 1
1 146 . 15 1 1 A 13 13 GLU C C 13 175.409 175.838 -0.429 1
1 147 . 15 1 1 A 13 13 GLU CA C 13 55.865 56.717 -0.852 1
1 148 . 15 1 1 A 13 13 GLU CB C 13 31.102 30.160 0.942 1
1 150 . 15 1 1 A 13 13 GLU N N 13 119.035 118.333 0.702 1
1 151 . 15 1 1 A 14 14 ASP H H 14 8.095 8.799 -0.704 1
1 152 . 15 1 1 A 14 14 ASP HA H 14 4.888 4.826 0.062 1
1 155 . 15 1 1 A 14 14 ASP C C 14 174.991 175.725 -0.734 1
1 156 . 15 1 1 A 14 14 ASP CA C 14 52.473 53.712 -1.239 1
1 157 . 15 1 1 A 14 14 ASP CB C 14 40.364 40.269 0.095 1
1 158 . 15 1 1 A 14 14 ASP N N 14 122.877 123.200 -0.323 1
1 159 . 15 1 1 A 15 15 LYS H H 15 7.345 8.386 -1.041 1
1 160 . 15 1 1 A 15 15 LYS HA H 15 4.550 4.666 -0.116 1
1 169 . 15 1 1 A 15 15 LYS C C 15 176.385 178.143 -1.758 1
1 170 . 15 1 1 A 15 15 LYS CA C 15 54.554 54.920 -0.366 1
1 171 . 15 1 1 A 15 15 LYS CB C 15 35.403 34.588 0.815 1
1 175 . 15 1 1 A 15 15 LYS N N 15 120.221 124.981 -4.760 1
1 176 . 15 1 1 A 16 16 ASN H H 16 9.025 8.763 0.262 1
1 177 . 15 1 1 A 16 16 ASN HA H 16 4.386 4.405 -0.019 1
1 182 . 15 1 1 A 16 16 ASN C C 16 175.916 176.518 -0.602 1
1 183 . 15 1 1 A 16 16 ASN CA C 16 54.966 55.747 -0.781 1
1 184 . 15 1 1 A 16 16 ASN CB C 16 37.810 38.346 -0.536 1
1 185 . 15 1 1 A 16 16 ASN N N 16 119.785 119.257 0.528 1
1 187 . 15 1 1 A 17 17 GLY H H 17 8.780 7.334 1.446 1
1 188 . 15 1 1 A 17 17 GLY HA2 H 17 4.125 4.081 0.044 1
1 189 . 15 1 1 A 17 17 GLY HA3 H 17 3.970 4.100 -0.130 1
1 190 . 15 1 1 A 17 17 GLY C C 17 176.151 174.829 1.322 1
1 191 . 15 1 1 A 17 17 GLY CA C 17 45.996 45.556 0.440 1
1 192 . 15 1 1 A 17 17 GLY N N 17 110.504 104.520 5.984 1
1 193 . 15 1 1 A 18 18 MET H H 18 7.989 8.053 -0.064 1
1 194 . 15 1 1 A 18 18 MET HA H 18 4.359 4.155 0.204 1
1 202 . 15 1 1 A 18 18 MET C C 18 178.589 177.892 0.697 1
1 203 . 15 1 1 A 18 18 MET CA C 18 57.405 58.252 -0.847 1
1 204 . 15 1 1 A 18 18 MET CB C 18 31.847 32.825 -0.978 1
1 207 . 15 1 1 A 18 18 MET N N 18 121.860 119.037 2.823 1
1 208 . 15 1 1 A 19 19 THR H H 19 8.807 7.930 0.877 1
1 209 . 15 1 1 A 19 19 THR HA H 19 3.233 3.416 -0.183 1
1 215 . 15 1 1 A 19 19 THR C C 19 177.909 176.958 0.951 1
1 216 . 15 1 1 A 19 19 THR CA C 19 65.516 65.594 -0.078 1
1 217 . 15 1 1 A 19 19 THR CB C 19 67.000 67.985 -0.985 1
1 219 . 15 1 1 A 19 19 THR N N 19 111.351 111.945 -0.594 1
1 220 . 15 1 1 A 20 20 ASN H H 20 7.936 8.135 -0.199 1
1 221 . 15 1 1 A 20 20 ASN HA H 20 4.083 4.448 -0.365 1
1 226 . 15 1 1 A 20 20 ASN C C 20 176.854 177.701 -0.847 1
1 227 . 15 1 1 A 20 20 ASN CA C 20 57.669 56.116 1.553 1
1 228 . 15 1 1 A 20 20 ASN CB C 20 36.625 37.793 -1.168 1
1 229 . 15 1 1 A 20 20 ASN N N 20 121.577 120.906 0.671 1
1 231 . 15 1 1 A 21 21 GLN H H 21 8.433 7.893 0.540 1
1 232 . 15 1 1 A 21 21 GLN HA H 21 4.046 3.997 0.049 1
1 239 . 15 1 1 A 21 21 GLN C C 21 179.550 178.251 1.299 1
1 240 . 15 1 1 A 21 21 GLN CA C 21 59.187 58.508 0.679 1
1 241 . 15 1 1 A 21 21 GLN CB C 21 28.512 27.885 0.627 1
1 243 . 15 1 1 A 21 21 GLN N N 21 120.250 117.277 2.973 1
1 245 . 15 1 1 A 22 22 ILE H H 22 8.779 8.045 0.734 1
1 246 . 15 1 1 A 22 22 ILE HA H 22 3.823 3.591 0.232 1
1 256 . 15 1 1 A 22 22 ILE C C 22 176.854 177.882 -1.028 1
1 257 . 15 1 1 A 22 22 ILE CA C 22 61.611 65.399 -3.788 1
1 258 . 15 1 1 A 22 22 ILE CB C 22 36.935 37.871 -0.936 1
1 262 . 15 1 1 A 22 22 ILE N N 22 119.497 121.203 -1.706 1
1 263 . 15 1 1 A 23 23 THR H H 23 7.478 7.959 -0.481 1
1 264 . 15 1 1 A 23 23 THR HA H 23 3.523 3.904 -0.381 1
1 270 . 15 1 1 A 23 23 THR C C 23 176.502 176.743 -0.241 1
1 271 . 15 1 1 A 23 23 THR CA C 23 67.006 66.352 0.654 1
1 272 . 15 1 1 A 23 23 THR CB C 23 67.305 68.310 -1.005 1
1 274 . 15 1 1 A 23 23 THR N N 23 115.702 116.285 -0.583 1
1 275 . 15 1 1 A 24 24 GLY H H 24 8.011 8.371 -0.360 1
1 276 . 15 1 1 A 24 24 GLY HA2 H 24 3.880 3.654 0.226 1
1 277 . 15 1 1 A 24 24 GLY HA3 H 24 3.672 3.664 0.008 1
1 278 . 15 1 1 A 24 24 GLY C C 24 176.385 175.755 0.630 1
1 279 . 15 1 1 A 24 24 GLY CA C 24 47.163 47.165 -0.002 1
1 280 . 15 1 1 A 24 24 GLY N N 24 110.691 107.886 2.805 1
1 281 . 15 1 1 A 25 25 VAL H H 25 7.898 8.334 -0.436 1
1 282 . 15 1 1 A 25 25 VAL HA H 25 3.473 3.621 -0.148 1
1 290 . 15 1 1 A 25 25 VAL C C 25 178.286 177.569 0.717 1
1 291 . 15 1 1 A 25 25 VAL CA C 25 66.432 65.782 0.650 1
1 292 . 15 1 1 A 25 25 VAL CB C 25 31.925 31.667 0.258 1
1 295 . 15 1 1 A 25 25 VAL N N 25 123.276 121.826 1.450 1
1 296 . 15 1 1 A 26 26 ILE H H 26 7.646 7.725 -0.079 1
1 297 . 15 1 1 A 26 26 ILE HA H 26 2.698 2.069 0.629 1
1 307 . 15 1 1 A 26 26 ILE C C 26 177.440 177.890 -0.450 1
1 308 . 15 1 1 A 26 26 ILE CA C 26 64.163 64.023 0.140 1
1 309 . 15 1 1 A 26 26 ILE CB C 26 37.876 37.089 0.787 1
1 313 . 15 1 1 A 26 26 ILE N N 26 116.606 120.529 -3.923 1
1 314 . 15 1 1 A 27 27 SER H H 27 7.783 8.119 -0.336 1
1 315 . 15 1 1 A 27 27 SER HA H 27 3.908 4.181 -0.273 1
1 319 . 15 1 1 A 27 27 SER C C 27 175.330 176.291 -0.961 1
1 320 . 15 1 1 A 27 27 SER CA C 27 61.465 60.902 0.563 1
1 321 . 15 1 1 A 27 27 SER CB C 27 63.388 62.724 0.664 1
1 322 . 15 1 1 A 27 27 SER N N 27 112.932 115.668 -2.736 1
1 323 . 15 1 1 A 28 28 LYS H H 28 7.008 7.391 -0.383 1
1 324 . 15 1 1 A 28 28 LYS HA H 28 4.234 4.288 -0.054 1
1 333 . 15 1 1 A 28 28 LYS C C 28 177.323 177.320 0.003 1
1 334 . 15 1 1 A 28 28 LYS CA C 28 56.161 57.462 -1.301 1
1 335 . 15 1 1 A 28 28 LYS CB C 28 32.742 32.794 -0.052 1
1 339 . 15 1 1 A 28 28 LYS N N 28 118.978 119.223 -0.245 1
1 340 . 15 1 1 A 29 29 PHE H H 29 7.691 7.203 0.488 1
1 341 . 15 1 1 A 29 29 PHE HA H 29 4.576 4.535 0.041 1
1 349 . 15 1 1 A 29 29 PHE C C 29 175.841 176.689 -0.848 1
1 350 . 15 1 1 A 29 29 PHE CA C 29 56.366 58.840 -2.474 1
1 351 . 15 1 1 A 29 29 PHE CB C 29 38.723 39.106 -0.383 1
1 355 . 15 1 1 A 29 29 PHE N N 29 120.755 119.478 1.277 1
1 356 . 15 1 1 A 30 30 ASP H H 30 8.388 8.903 -0.515 1
1 357 . 15 1 1 A 30 30 ASP HA H 30 4.650 4.516 0.134 1
1 360 . 15 1 1 A 30 30 ASP C C 30 175.096 176.059 -0.963 1
1 361 . 15 1 1 A 30 30 ASP CA C 30 53.331 55.977 -2.646 1
1 362 . 15 1 1 A 30 30 ASP CB C 30 38.691 40.477 -1.786 1
1 363 . 15 1 1 A 30 30 ASP N N 30 122.230 122.193 0.037 1
1 364 . 15 1 1 A 31 31 THR H H 31 7.663 7.645 0.018 1
1 365 . 15 1 1 A 31 31 THR HA H 31 4.558 4.337 0.221 1
1 370 . 15 1 1 A 31 31 THR C C 31 173.297 173.979 -0.682 1
1 371 . 15 1 1 A 31 31 THR CA C 31 59.333 61.997 -2.664 1
1 372 . 15 1 1 A 31 31 THR CB C 31 70.319 70.217 0.102 1
1 374 . 15 1 1 A 31 31 THR N N 31 112.538 115.874 -3.336 1
1 375 . 15 1 1 A 32 32 ASN H H 32 8.308 8.862 -0.554 1
1 376 . 15 1 1 A 32 32 ASN HA H 32 4.910 5.286 -0.376 1
1 381 . 15 1 1 A 32 32 ASN C C 32 175.447 175.504 -0.057 1
1 382 . 15 1 1 A 32 32 ASN CA C 32 52.732 52.136 0.596 1
1 383 . 15 1 1 A 32 32 ASN CB C 32 39.337 41.483 -2.146 1
1 384 . 15 1 1 A 32 32 ASN N N 32 121.973 123.344 -1.371 1
1 386 . 15 1 1 A 33 33 ILE H H 33 8.320 8.977 -0.657 1
1 387 . 15 1 1 A 33 33 ILE HA H 33 3.846 4.102 -0.256 1
1 397 . 15 1 1 A 33 33 ILE C C 33 175.230 175.804 -0.574 1
1 398 . 15 1 1 A 33 33 ILE CA C 33 63.300 62.098 1.202 1
1 399 . 15 1 1 A 33 33 ILE CB C 33 39.167 36.970 2.197 1
1 403 . 15 1 1 A 33 33 ILE N N 33 125.984 124.118 1.866 1
1 404 . 15 1 1 A 34 34 ARG H H 34 8.858 8.737 0.121 1
1 405 . 15 1 1 A 34 34 ARG HA H 34 4.538 4.443 0.095 1
1 413 . 15 1 1 A 34 34 ARG C C 34 175.565 176.501 -0.936 1
1 414 . 15 1 1 A 34 34 ARG CA C 34 54.900 57.657 -2.757 1
1 415 . 15 1 1 A 34 34 ARG CB C 34 30.275 30.953 -0.678 1
1 418 . 15 1 1 A 34 34 ARG N N 34 126.537 128.642 -2.105 1
1 420 . 15 1 1 A 35 35 THR H H 35 7.698 7.600 0.098 1
1 421 . 15 1 1 A 35 35 THR HA H 35 5.311 4.987 0.324 1
1 426 . 15 1 1 A 35 35 THR C C 35 173.807 172.440 1.367 1
1 427 . 15 1 1 A 35 35 THR CA C 35 61.040 61.025 0.015 1
1 428 . 15 1 1 A 35 35 THR CB C 35 74.055 73.601 0.454 1
1 430 . 15 1 1 A 35 35 THR N N 35 111.895 111.444 0.451 1
1 431 . 15 1 1 A 36 36 ILE H H 36 8.907 8.589 0.318 1
1 432 . 15 1 1 A 36 36 ILE HA H 36 4.753 5.003 -0.250 1
1 442 . 15 1 1 A 36 36 ILE C C 36 174.275 173.244 1.031 1
1 443 . 15 1 1 A 36 36 ILE CA C 36 61.400 60.083 1.317 1
1 444 . 15 1 1 A 36 36 ILE CB C 36 42.569 41.785 0.784 1
1 448 . 15 1 1 A 36 36 ILE N N 36 123.257 123.844 -0.587 1
1 449 . 15 1 1 A 37 37 VAL H H 37 8.933 8.987 -0.054 1
1 450 . 15 1 1 A 37 37 VAL HA H 37 4.903 4.595 0.308 1
1 458 . 15 1 1 A 37 37 VAL C C 37 174.684 173.942 0.742 1
1 459 . 15 1 1 A 37 37 VAL CA C 37 62.100 61.650 0.450 1
1 460 . 15 1 1 A 37 37 VAL CB C 37 34.186 34.035 0.151 1
1 463 . 15 1 1 A 37 37 VAL N N 37 126.323 128.821 -2.498 1
1 464 . 15 1 1 A 38 38 LEU H H 38 9.751 8.975 0.776 1
1 465 . 15 1 1 A 38 38 LEU HA H 38 5.636 5.266 0.370 1
1 475 . 15 1 1 A 38 38 LEU C C 38 174.510 175.186 -0.676 1
1 476 . 15 1 1 A 38 38 LEU CA C 38 53.810 53.806 0.004 1
1 477 . 15 1 1 A 38 38 LEU CB C 38 45.655 44.389 1.266 1
1 481 . 15 1 1 A 38 38 LEU N N 38 133.332 129.984 3.348 1
1 482 . 15 1 1 A 39 39 ASN H H 39 8.952 8.808 0.144 1
1 483 . 15 1 1 A 39 39 ASN HA H 39 5.450 5.622 -0.172 1
1 488 . 15 1 1 A 39 39 ASN C C 39 172.869 173.543 -0.674 1
1 489 . 15 1 1 A 39 39 ASN CA C 39 53.137 51.456 1.681 1
1 490 . 15 1 1 A 39 39 ASN CB C 39 43.287 41.686 1.601 1
1 491 . 15 1 1 A 39 39 ASN N N 39 123.262 123.375 -0.113 1
1 493 . 15 1 1 A 40 40 ALA H H 40 8.467 9.111 -0.644 1
1 494 . 15 1 1 A 40 40 ALA HA H 40 5.345 5.516 -0.171 1
1 498 . 15 1 1 A 40 40 ALA C C 40 175.447 177.181 -1.734 1
1 499 . 15 1 1 A 40 40 ALA CA C 40 51.370 50.627 0.743 1
1 500 . 15 1 1 A 40 40 ALA CB C 40 20.975 21.067 -0.092 1
1 501 . 15 1 1 A 40 40 ALA N N 40 127.058 127.103 -0.045 1
1 502 . 15 1 1 A 41 41 LYS H H 41 8.865 9.114 -0.249 1
1 503 . 15 1 1 A 41 41 LYS HA H 41 4.435 4.729 -0.294 1
1 512 . 15 1 1 A 41 41 LYS C C 41 175.565 174.965 0.600 1
1 513 . 15 1 1 A 41 41 LYS CA C 41 56.736 54.461 2.275 1
1 514 . 15 1 1 A 41 41 LYS CB C 41 34.811 32.843 1.968 1
1 518 . 15 1 1 A 41 41 LYS N N 41 121.996 118.459 3.537 1
1 519 . 15 1 1 A 42 42 ASP H H 42 9.197 8.688 0.509 1
1 520 . 15 1 1 A 42 42 ASP HA H 42 4.373 4.374 -0.001 1
1 523 . 15 1 1 A 42 42 ASP C C 42 175.447 177.259 -1.812 1
1 524 . 15 1 1 A 42 42 ASP CA C 42 55.547 55.409 0.138 1
1 525 . 15 1 1 A 42 42 ASP CB C 42 39.485 39.519 -0.034 1
1 526 . 15 1 1 A 42 42 ASP N N 42 122.213 119.597 2.616 1
1 527 . 15 1 1 A 43 43 GLY H H 43 9.306 8.604 0.702 1
1 528 . 15 1 1 A 43 43 GLY HA2 H 43 4.443 3.913 0.530 1
1 529 . 15 1 1 A 43 43 GLY HA3 H 43 3.816 3.920 -0.104 1
1 530 . 15 1 1 A 43 43 GLY C C 43 174.979 173.673 1.306 1
1 531 . 15 1 1 A 43 43 GLY CA C 43 45.661 45.563 0.098 1
1 532 . 15 1 1 A 43 43 GLY N N 43 104.610 112.013 -7.403 1
1 533 . 15 1 1 A 44 44 ILE H H 44 8.117 7.862 0.255 1
1 534 . 15 1 1 A 44 44 ILE HA H 44 5.112 4.872 0.240 1
1 544 . 15 1 1 A 44 44 ILE C C 44 175.213 174.897 0.316 1
1 545 . 15 1 1 A 44 44 ILE CA C 44 59.040 59.538 -0.498 1
1 546 . 15 1 1 A 44 44 ILE CB C 44 42.013 42.355 -0.342 1
1 550 . 15 1 1 A 44 44 ILE N N 44 122.284 121.404 0.880 1
1 551 . 15 1 1 A 45 45 PHE H H 45 8.955 8.466 0.489 1
1 552 . 15 1 1 A 45 45 PHE HA H 45 5.740 5.800 -0.060 1
1 560 . 15 1 1 A 45 45 PHE C C 45 172.283 172.644 -0.361 1
1 561 . 15 1 1 A 45 45 PHE CA C 45 55.872 55.120 0.752 1
1 562 . 15 1 1 A 45 45 PHE CB C 45 42.740 42.636 0.104 1
1 566 . 15 1 1 A 45 45 PHE N N 45 121.747 120.365 1.382 1
1 567 . 15 1 1 A 46 46 THR H H 46 8.659 8.811 -0.152 1
1 568 . 15 1 1 A 46 46 THR HA H 46 5.111 5.297 -0.186 1
1 574 . 15 1 1 A 46 46 THR C C 46 174.041 172.593 1.448 1
1 575 . 15 1 1 A 46 46 THR CA C 46 59.750 60.167 -0.417 1
1 576 . 15 1 1 A 46 46 THR CB C 46 71.380 71.061 0.319 1
1 578 . 15 1 1 A 46 46 THR N N 46 113.420 115.381 -1.961 1
1 579 . 15 1 1 A 47 47 CYS H H 47 9.619 9.435 0.184 1
1 580 . 15 1 1 A 47 47 CYS HA H 47 5.562 4.932 0.630 1
1 584 . 15 1 1 A 47 47 CYS C C 47 172.283 173.181 -0.898 1
1 585 . 15 1 1 A 47 47 CYS CA C 47 56.776 57.615 -0.839 1
1 586 . 15 1 1 A 47 47 CYS CB C 47 29.112 28.401 0.711 1
1 587 . 15 1 1 A 47 47 CYS N N 47 124.781 129.927 -5.146 1
1 588 . 15 1 1 A 48 48 ASN H H 48 9.293 9.306 -0.013 1
1 589 . 15 1 1 A 48 48 ASN HA H 48 5.629 5.195 0.434 1
1 594 . 15 1 1 A 48 48 ASN C C 48 173.455 173.934 -0.479 1
1 595 . 15 1 1 A 48 48 ASN CA C 48 51.962 52.698 -0.736 1
1 596 . 15 1 1 A 48 48 ASN CB C 48 40.059 39.185 0.874 1
1 597 . 15 1 1 A 48 48 ASN N N 48 129.520 126.174 3.346 1
1 599 . 15 1 1 A 49 49 LEU H H 49 9.435 9.168 0.267 1
1 600 . 15 1 1 A 49 49 LEU HA H 49 5.158 4.950 0.208 1
1 610 . 15 1 1 A 49 49 LEU C C 49 174.510 174.631 -0.121 1
1 611 . 15 1 1 A 49 49 LEU CA C 49 53.178 53.640 -0.462 1
1 612 . 15 1 1 A 49 49 LEU CB C 49 46.402 44.629 1.773 1
1 616 . 15 1 1 A 49 49 LEU N N 49 125.541 127.458 -1.917 1
1 617 . 15 1 1 A 50 50 MET H H 50 8.978 9.022 -0.044 1
1 618 . 15 1 1 A 50 50 MET HA H 50 5.723 5.310 0.413 1
1 626 . 15 1 1 A 50 50 MET C C 50 175.682 174.921 0.761 1
1 627 . 15 1 1 A 50 50 MET CA C 50 54.073 54.192 -0.119 1
1 628 . 15 1 1 A 50 50 MET CB C 50 33.643 35.105 -1.462 1
1 631 . 15 1 1 A 50 50 MET N N 50 123.131 125.099 -1.968 1
1 632 . 15 1 1 A 51 51 ILE H H 51 9.056 8.883 0.173 1
1 633 . 15 1 1 A 51 51 ILE HA H 51 5.044 5.076 -0.032 1
1 643 . 15 1 1 A 51 51 ILE C C 51 173.689 174.016 -0.327 1
1 644 . 15 1 1 A 51 51 ILE CA C 51 58.495 59.028 -0.533 1
1 645 . 15 1 1 A 51 51 ILE CB C 51 41.447 42.266 -0.819 1
1 649 . 15 1 1 A 51 51 ILE N N 51 118.753 118.539 0.214 1
1 650 . 15 1 1 A 52 52 PHE H H 52 8.324 8.937 -0.613 1
1 651 . 15 1 1 A 52 52 PHE HA H 52 5.345 5.129 0.216 1
1 659 . 15 1 1 A 52 52 PHE C C 52 176.084 175.462 0.622 1
1 660 . 15 1 1 A 52 52 PHE CA C 52 56.478 57.200 -0.722 1
1 661 . 15 1 1 A 52 52 PHE CB C 52 40.520 40.529 -0.009 1
1 665 . 15 1 1 A 52 52 PHE N N 52 120.910 121.732 -0.822 1
1 666 . 15 1 1 A 53 53 VAL H H 53 8.865 8.378 0.487 1
1 667 . 15 1 1 A 53 53 VAL HA H 53 4.663 4.678 -0.015 1
1 675 . 15 1 1 A 53 53 VAL C C 53 174.812 175.731 -0.919 1
1 676 . 15 1 1 A 53 53 VAL CA C 53 58.881 59.190 -0.309 1
1 677 . 15 1 1 A 53 53 VAL CB C 53 35.707 34.989 0.718 1
1 680 . 15 1 1 A 53 53 VAL N N 53 118.244 116.202 2.042 1
1 681 . 15 1 1 A 54 54 LYS H H 54 8.335 8.693 -0.358 1
1 682 . 15 1 1 A 54 54 LYS HA H 54 4.324 4.295 0.029 1
1 691 . 15 1 1 A 54 54 LYS C C 54 176.655 175.893 0.762 1
1 692 . 15 1 1 A 54 54 LYS CA C 54 58.039 57.493 0.546 1
1 693 . 15 1 1 A 54 54 LYS CB C 54 33.974 33.324 0.650 1
1 697 . 15 1 1 A 54 54 LYS N N 54 120.334 121.439 -1.105 1
1 698 . 15 1 1 A 55 55 ASN H H 55 7.235 7.581 -0.346 1
1 699 . 15 1 1 A 55 55 ASN HA H 55 4.888 5.245 -0.357 1
1 704 . 15 1 1 A 55 55 ASN C C 55 175.083 175.917 -0.834 1
1 705 . 15 1 1 A 55 55 ASN CA C 55 52.173 51.948 0.225 1
1 706 . 15 1 1 A 55 55 ASN CB C 55 39.333 41.314 -1.981 1
1 707 . 15 1 1 A 55 55 ASN N N 55 108.018 118.138 -10.120 1
1 709 . 15 1 1 A 56 56 THR H H 56 8.865 9.053 -0.188 1
1 710 . 15 1 1 A 56 56 THR HA H 56 4.036 4.320 -0.284 1
1 715 . 15 1 1 A 56 56 THR C C 56 178.637 176.341 2.296 1
1 716 . 15 1 1 A 56 56 THR CA C 56 65.800 66.281 -0.481 1
1 717 . 15 1 1 A 56 56 THR CB C 56 68.341 68.509 -0.168 1
1 719 . 15 1 1 A 56 56 THR N N 56 113.338 117.197 -3.859 1
1 720 . 15 1 1 A 57 57 ASP H H 57 8.384 8.494 -0.110 1
1 721 . 15 1 1 A 57 57 ASP HA H 57 4.467 4.370 0.097 1
1 724 . 15 1 1 A 57 57 ASP CA C 57 57.400 57.785 -0.385 1
1 725 . 15 1 1 A 57 57 ASP CB C 57 39.938 41.892 -1.954 1
1 726 . 15 1 1 A 57 57 ASP N N 57 124.402 122.132 2.270 1
1 727 . 15 1 1 A 58 58 LYS H H 58 8.266 7.976 0.290 1
1 728 . 15 1 1 A 58 58 LYS HA H 58 4.172 3.993 0.179 1
1 740 . 15 1 1 A 58 58 LYS C C 58 178.378 178.581 -0.203 1
1 741 . 15 1 1 A 58 58 LYS CA C 58 57.695 58.957 -1.262 1
1 742 . 15 1 1 A 58 58 LYS CB C 58 31.763 32.166 -0.403 1
1 746 . 15 1 1 A 58 58 LYS N N 58 120.194 119.502 0.692 1
1 747 . 15 1 1 A 59 59 LEU H H 59 7.302 7.367 -0.065 1
1 748 . 15 1 1 A 59 59 LEU HA H 59 3.907 3.974 -0.067 1
1 758 . 15 1 1 A 59 59 LEU C C 59 177.909 178.544 -0.635 1
1 759 . 15 1 1 A 59 59 LEU CA C 59 57.979 57.936 0.043 1
1 760 . 15 1 1 A 59 59 LEU CB C 59 41.727 41.720 0.007 1
1 764 . 15 1 1 A 59 59 LEU N N 59 118.583 120.798 -2.215 1
1 765 . 15 1 1 A 60 60 THR H H 60 8.500 8.076 0.424 1
1 766 . 15 1 1 A 60 60 THR HA H 60 3.845 4.089 -0.244 1
1 771 . 15 1 1 A 60 60 THR C C 60 176.502 177.061 -0.559 1
1 772 . 15 1 1 A 60 60 THR CA C 60 66.691 65.760 0.931 1
1 773 . 15 1 1 A 60 60 THR CB C 60 68.390 68.142 0.248 1
1 775 . 15 1 1 A 60 60 THR N N 60 115.462 112.647 2.815 1
1 776 . 15 1 1 A 61 61 THR H H 61 7.996 7.896 0.100 1
1 777 . 15 1 1 A 61 61 THR HA H 61 4.053 3.984 0.069 1
1 782 . 15 1 1 A 61 61 THR C C 61 176.502 176.439 0.063 1
1 783 . 15 1 1 A 61 61 THR CA C 61 66.420 66.900 -0.480 1
1 784 . 15 1 1 A 61 61 THR CB C 61 68.549 68.468 0.081 1
1 786 . 15 1 1 A 61 61 THR N N 61 117.698 116.549 1.149 1
1 787 . 15 1 1 A 62 62 LEU H H 62 7.717 8.033 -0.316 1
1 788 . 15 1 1 A 62 62 LEU HA H 62 3.542 3.509 0.033 1
1 798 . 15 1 1 A 62 62 LEU C C 62 178.612 178.692 -0.080 1
1 799 . 15 1 1 A 62 62 LEU CA C 62 57.988 57.613 0.375 1
1 800 . 15 1 1 A 62 62 LEU CB C 62 40.241 41.053 -0.812 1
1 804 . 15 1 1 A 62 62 LEU N N 62 122.534 120.836 1.698 1
1 805 . 15 1 1 A 63 63 MET H H 63 8.230 8.101 0.129 1
1 806 . 15 1 1 A 63 63 MET HA H 63 3.771 4.211 -0.440 1
1 814 . 15 1 1 A 63 63 MET C C 63 177.674 178.081 -0.407 1
1 815 . 15 1 1 A 63 63 MET CA C 63 60.699 58.324 2.375 1
1 816 . 15 1 1 A 63 63 MET CB C 63 33.024 32.459 0.565 1
1 819 . 15 1 1 A 63 63 MET N N 63 116.719 116.752 -0.033 1
1 820 . 15 1 1 A 64 64 ASP H H 64 8.263 8.271 -0.008 1
1 821 . 15 1 1 A 64 64 ASP HA H 64 4.401 4.330 0.071 1
1 824 . 15 1 1 A 64 64 ASP C C 64 178.378 178.507 -0.129 1
1 825 . 15 1 1 A 64 64 ASP CA C 64 57.400 57.147 0.253 1
1 826 . 15 1 1 A 64 64 ASP CB C 64 40.703 41.797 -1.094 1
1 827 . 15 1 1 A 64 64 ASP N N 64 118.611 120.654 -2.043 1
1 828 . 15 1 1 A 65 65 LYS H H 65 7.755 7.744 0.011 1
1 829 . 15 1 1 A 65 65 LYS HA H 65 3.970 4.091 -0.121 1
1 838 . 15 1 1 A 65 65 LYS C C 65 179.922 179.560 0.362 1
1 839 . 15 1 1 A 65 65 LYS CA C 65 59.466 59.554 -0.088 1
1 840 . 15 1 1 A 65 65 LYS CB C 65 32.372 32.694 -0.322 1
1 844 . 15 1 1 A 65 65 LYS N N 65 118.452 118.520 -0.068 1
1 845 . 15 1 1 A 66 66 LEU H H 66 7.768 8.244 -0.476 1
1 846 . 15 1 1 A 66 66 LEU HA H 66 4.066 4.179 -0.113 1
1 856 . 15 1 1 A 66 66 LEU C C 66 177.557 179.438 -1.881 1
1 857 . 15 1 1 A 66 66 LEU CA C 66 57.550 56.995 0.555 1
1 858 . 15 1 1 A 66 66 LEU CB C 66 43.218 41.633 1.585 1
1 862 . 15 1 1 A 66 66 LEU N N 66 118.471 120.114 -1.643 1
1 863 . 15 1 1 A 67 67 ARG H H 67 8.017 8.333 -0.316 1
1 864 . 15 1 1 A 67 67 ARG HA H 67 3.855 4.253 -0.398 1
1 872 . 15 1 1 A 67 67 ARG C C 67 177.440 177.651 -0.211 1
1 873 . 15 1 1 A 67 67 ARG CA C 67 58.584 58.255 0.329 1
1 874 . 15 1 1 A 67 67 ARG CB C 67 30.313 29.860 0.453 1
1 877 . 15 1 1 A 67 67 ARG N N 67 115.702 119.480 -3.778 1
1 879 . 15 1 1 A 68 68 LYS H H 68 7.168 7.759 -0.591 1
1 880 . 15 1 1 A 68 68 LYS HA H 68 4.198 4.348 -0.150 1
1 889 . 15 1 1 A 68 68 LYS C C 68 176.502 176.825 -0.323 1
1 890 . 15 1 1 A 68 68 LYS CA C 68 56.149 57.221 -1.072 1
1 891 . 15 1 1 A 68 68 LYS CB C 68 32.725 32.450 0.275 1
1 895 . 15 1 1 A 68 68 LYS N N 68 115.213 117.408 -2.195 1
1 896 . 15 1 1 A 69 69 VAL H H 69 7.348 7.336 0.012 1
1 897 . 15 1 1 A 69 69 VAL HA H 69 3.776 4.218 -0.442 1
1 905 . 15 1 1 A 69 69 VAL C C 69 175.916 177.449 -1.533 1
1 906 . 15 1 1 A 69 69 VAL CA C 69 63.134 62.962 0.172 1
1 907 . 15 1 1 A 69 69 VAL CB C 69 31.075 31.573 -0.498 1
1 910 . 15 1 1 A 69 69 VAL N N 69 123.611 120.390 3.221 1
1 911 . 15 1 1 A 70 70 GLN H H 70 8.632 8.664 -0.032 1
1 912 . 15 1 1 A 70 70 GLN HA H 70 4.072 4.126 -0.054 1
1 919 . 15 1 1 A 70 70 GLN C C 70 176.151 177.590 -1.439 1
1 920 . 15 1 1 A 70 70 GLN CA C 70 57.800 58.013 -0.213 1
1 921 . 15 1 1 A 70 70 GLN CB C 70 28.100 28.203 -0.103 1
1 923 . 15 1 1 A 70 70 GLN N N 70 130.070 126.890 3.180 1
1 925 . 15 1 1 A 71 71 GLY H H 71 8.783 8.203 0.580 1
1 926 . 15 1 1 A 71 71 GLY HA2 H 71 4.598 4.052 0.546 1
1 927 . 15 1 1 A 71 71 GLY HA3 H 71 3.677 4.067 -0.390 1
1 928 . 15 1 1 A 71 71 GLY C C 71 173.924 174.328 -0.404 1
1 929 . 15 1 1 A 71 71 GLY CA C 71 44.941 45.469 -0.528 1
1 930 . 15 1 1 A 71 71 GLY N N 71 113.801 107.871 5.930 1
1 931 . 15 1 1 A 72 72 VAL H H 72 7.805 7.551 0.254 1
1 932 . 15 1 1 A 72 72 VAL HA H 72 3.723 3.786 -0.063 1
1 940 . 15 1 1 A 72 72 VAL C C 72 176.502 176.271 0.231 1
1 941 . 15 1 1 A 72 72 VAL CA C 72 64.020 62.306 1.714 1
1 942 . 15 1 1 A 72 72 VAL CB C 72 32.003 32.448 -0.445 1
1 945 . 15 1 1 A 72 72 VAL N N 72 120.334 120.389 -0.055 1
1 946 . 15 1 1 A 73 73 PHE H H 73 9.522 7.873 1.649 1
1 947 . 15 1 1 A 73 73 PHE HA H 73 5.109 4.926 0.183 1
1 955 . 15 1 1 A 73 73 PHE C C 73 176.502 174.563 1.939 1
1 956 . 15 1 1 A 73 73 PHE CA C 73 56.354 56.604 -0.250 1
1 957 . 15 1 1 A 73 73 PHE CB C 73 39.615 40.723 -1.108 1
1 961 . 15 1 1 A 73 73 PHE N N 73 127.542 121.170 6.372 1
1 962 . 15 1 1 A 74 74 THR H H 74 7.972 7.336 0.636 1
1 963 . 15 1 1 A 74 74 THR HA H 74 4.736 4.924 -0.188 1
1 968 . 15 1 1 A 74 74 THR C C 74 172.400 173.587 -1.187 1
1 969 . 15 1 1 A 74 74 THR CA C 74 60.604 60.575 0.029 1
1 970 . 15 1 1 A 74 74 THR CB C 74 72.576 71.299 1.277 1
1 972 . 15 1 1 A 74 74 THR N N 74 111.809 111.031 0.778 1
1 973 . 15 1 1 A 75 75 VAL H H 75 8.584 8.945 -0.361 1
1 974 . 15 1 1 A 75 75 VAL HA H 75 4.878 5.005 -0.127 1
1 982 . 15 1 1 A 75 75 VAL C C 75 174.510 174.929 -0.419 1
1 983 . 15 1 1 A 75 75 VAL CA C 75 61.844 61.578 0.266 1
1 984 . 15 1 1 A 75 75 VAL CB C 75 34.500 34.195 0.305 1
1 987 . 15 1 1 A 75 75 VAL N N 75 122.820 125.117 -2.297 1
1 988 . 15 1 1 A 76 76 GLU H H 76 9.029 8.946 0.083 1
1 989 . 15 1 1 A 76 76 GLU HA H 76 4.861 5.007 -0.146 1
1 994 . 15 1 1 A 76 76 GLU C C 76 174.510 174.752 -0.242 1
1 995 . 15 1 1 A 76 76 GLU CA C 76 53.757 54.200 -0.443 1
1 996 . 15 1 1 A 76 76 GLU CB C 76 34.230 33.490 0.740 1
1 998 . 15 1 1 A 76 76 GLU N N 76 124.572 124.285 0.287 1
1 999 . 15 1 1 A 77 77 ARG H H 77 8.962 8.487 0.475 1
1 1000 . 15 1 1 A 77 77 ARG HA H 77 4.736 4.689 0.047 1
1 1008 . 15 1 1 A 77 77 ARG C C 77 176.502 175.457 1.045 1
1 1009 . 15 1 1 A 77 77 ARG CA C 77 55.521 56.167 -0.646 1
1 1010 . 15 1 1 A 77 77 ARG CB C 77 30.893 31.496 -0.603 1
1 1013 . 15 1 1 A 77 77 ARG N N 77 122.875 123.602 -0.727 1
1 1015 . 15 1 1 A 78 78 LEU H H 78 8.252 9.219 -0.967 1
1 1016 . 15 1 1 A 78 78 LEU HA H 78 4.505 4.721 -0.216 1
1 1026 . 15 1 1 A 78 78 LEU C C 78 176.737 177.469 -0.732 1
1 1027 . 15 1 1 A 78 78 LEU CA C 78 53.875 53.869 0.006 1
1 1028 . 15 1 1 A 78 78 LEU CB C 78 43.228 42.252 0.976 1
1 1032 . 15 1 1 A 78 78 LEU N N 78 127.062 126.821 0.241 1
1 1033 . 15 1 1 A 79 79 SER H H 79 8.635 8.729 -0.094 1
1 1034 . 15 1 1 A 79 79 SER HA H 79 4.492 4.457 0.035 1
1 1037 . 15 1 1 A 79 79 SER C C 79 174.041 174.612 -0.571 1
1 1038 . 15 1 1 A 79 79 SER CA C 79 58.465 59.618 -1.153 1
1 1039 . 15 1 1 A 79 79 SER CB C 79 63.993 63.667 0.326 1
1 1040 . 15 1 1 A 79 79 SER N N 79 118.446 118.186 0.260 1
1 1041 . 15 1 1 A 80 80 ASN H H 80 8.421 7.781 0.640 1
1 1042 . 15 1 1 A 80 80 ASN HA H 80 4.668 4.721 -0.053 1
1 1047 . 15 1 1 A 80 80 ASN C C 80 175.096 175.320 -0.224 1
1 1048 . 15 1 1 A 80 80 ASN CA C 80 53.300 52.825 0.475 1
1 1049 . 15 1 1 A 80 80 ASN CB C 80 38.300 38.326 -0.026 1
1 1050 . 15 1 1 A 80 80 ASN N N 80 119.339 116.835 2.504 1
1 1052 . 15 1 1 A 81 81 LEU H H 81 8.256 8.882 -0.626 1
1 1053 . 15 1 1 A 81 81 LEU HA H 81 4.258 5.095 -0.837 1
1 1063 . 15 1 1 A 81 81 LEU C C 81 177.323 177.297 0.026 1
1 1064 . 15 1 1 A 81 81 LEU CA C 81 55.263 53.361 1.902 1
1 1065 . 15 1 1 A 81 81 LEU CB C 81 41.756 45.302 -3.546 1
1 1069 . 15 1 1 A 81 81 LEU N N 81 121.238 126.091 -4.853 1
1 1070 . 15 1 1 A 82 82 GLU H H 82 8.282 8.594 -0.312 1
1 1071 . 15 1 1 A 82 82 GLU HA H 82 4.169 4.630 -0.461 1
1 1076 . 15 1 1 A 82 82 GLU C C 82 176.385 176.861 -0.476 1
1 1077 . 15 1 1 A 82 82 GLU CA C 82 56.762 55.613 1.149 1
1 1078 . 15 1 1 A 82 82 GLU CB C 82 29.997 29.795 0.202 1
1 1080 . 15 1 1 A 82 82 GLU N N 82 120.037 119.498 0.539 1
1 1081 . 15 1 1 A 83 83 HIS H H 83 8.195 7.969 0.226 1
1 1082 . 15 1 1 A 83 83 HIS HA H 83 4.535 4.397 0.138 1
1 1087 . 15 1 1 A 83 83 HIS C C 83 175.081 174.906 0.175 1
1 1088 . 15 1 1 A 83 83 HIS CA C 83 55.951 57.194 -1.243 1
1 1089 . 15 1 1 A 83 83 HIS CB C 83 30.366 30.846 -0.480 1
1 1 . 16 1 1 A 2 2 THR HA H 2 3.782 4.383 -0.601 1
1 6 . 16 1 1 A 2 2 THR C C 2 171.502 174.004 -2.502 1
1 7 . 16 1 1 A 2 2 THR CA C 2 61.906 62.505 -0.599 1
1 8 . 16 1 1 A 2 2 THR CB C 2 69.449 69.370 0.079 1
1 10 . 16 1 1 A 3 3 ASP H H 3 8.636 8.488 0.148 1
1 11 . 16 1 1 A 3 3 ASP HA H 3 4.803 5.237 -0.434 1
1 14 . 16 1 1 A 3 3 ASP C C 3 175.330 176.412 -1.082 1
1 15 . 16 1 1 A 3 3 ASP CA C 3 54.454 54.202 0.252 1
1 16 . 16 1 1 A 3 3 ASP CB C 3 41.426 41.001 0.425 1
1 17 . 16 1 1 A 3 3 ASP N N 3 125.850 126.104 -0.254 1
1 18 . 16 1 1 A 4 4 PHE H H 4 8.608 8.479 0.129 1
1 19 . 16 1 1 A 4 4 PHE HA H 4 5.042 5.792 -0.750 1
1 27 . 16 1 1 A 4 4 PHE C C 4 172.986 172.827 0.159 1
1 28 . 16 1 1 A 4 4 PHE CA C 4 55.505 55.147 0.358 1
1 29 . 16 1 1 A 4 4 PHE CB C 4 41.288 42.252 -0.964 1
1 33 . 16 1 1 A 4 4 PHE N N 4 117.566 118.413 -0.847 1
1 34 . 16 1 1 A 5 5 LEU H H 5 8.498 8.577 -0.079 1
1 35 . 16 1 1 A 5 5 LEU HA H 5 4.532 3.877 0.655 1
1 45 . 16 1 1 A 5 5 LEU C C 5 175.330 174.423 0.907 1
1 46 . 16 1 1 A 5 5 LEU CA C 5 54.222 53.759 0.463 1
1 47 . 16 1 1 A 5 5 LEU CB C 5 42.932 42.414 0.518 1
1 51 . 16 1 1 A 5 5 LEU N N 5 123.329 122.286 1.043 1
1 52 . 16 1 1 A 6 6 ALA H H 6 9.325 8.830 0.495 1
1 53 . 16 1 1 A 6 6 ALA HA H 6 4.769 5.178 -0.409 1
1 57 . 16 1 1 A 6 6 ALA C C 6 174.744 176.937 -2.193 1
1 58 . 16 1 1 A 6 6 ALA CA C 6 50.500 50.615 -0.115 1
1 59 . 16 1 1 A 6 6 ALA CB C 6 23.746 20.557 3.189 1
1 60 . 16 1 1 A 6 6 ALA N N 6 129.530 130.584 -1.054 1
1 61 . 16 1 1 A 7 7 GLY H H 7 8.639 8.892 -0.253 1
1 62 . 16 1 1 A 7 7 GLY HA2 H 7 5.721 4.245 1.476 1
1 63 . 16 1 1 A 7 7 GLY HA3 H 7 3.508 4.260 -0.752 1
1 64 . 16 1 1 A 7 7 GLY C C 7 173.221 171.976 1.245 1
1 65 . 16 1 1 A 7 7 GLY CA C 7 45.351 43.946 1.405 1
1 66 . 16 1 1 A 7 7 GLY N N 7 106.888 111.139 -4.251 1
1 67 . 16 1 1 A 8 8 ILE H H 8 9.356 9.083 0.273 1
1 68 . 16 1 1 A 8 8 ILE HA H 8 4.957 5.044 -0.087 1
1 78 . 16 1 1 A 8 8 ILE C C 8 172.986 174.059 -1.073 1
1 79 . 16 1 1 A 8 8 ILE CA C 8 59.551 60.127 -0.576 1
1 80 . 16 1 1 A 8 8 ILE CB C 8 43.405 41.763 1.642 1
1 84 . 16 1 1 A 8 8 ILE N N 8 122.820 123.385 -0.565 1
1 85 . 16 1 1 A 9 9 ARG H H 9 9.364 9.426 -0.062 1
1 86 . 16 1 1 A 9 9 ARG HA H 9 5.609 5.270 0.339 1
1 94 . 16 1 1 A 9 9 ARG C C 9 175.096 174.865 0.231 1
1 95 . 16 1 1 A 9 9 ARG CA C 9 54.192 54.655 -0.463 1
1 96 . 16 1 1 A 9 9 ARG CB C 9 33.400 33.252 0.148 1
1 99 . 16 1 1 A 9 9 ARG N N 9 126.323 128.289 -1.966 1
1 101 . 16 1 1 A 10 10 ILE H H 10 9.479 9.246 0.233 1
1 102 . 16 1 1 A 10 10 ILE HA H 10 5.089 4.831 0.258 1
1 112 . 16 1 1 A 10 10 ILE C C 10 174.275 174.514 -0.239 1
1 113 . 16 1 1 A 10 10 ILE CA C 10 60.127 59.837 0.290 1
1 114 . 16 1 1 A 10 10 ILE CB C 10 42.651 39.380 3.271 1
1 118 . 16 1 1 A 10 10 ILE N N 10 128.583 127.675 0.908 1
1 119 . 16 1 1 A 11 11 VAL H H 11 8.581 8.616 -0.035 1
1 120 . 16 1 1 A 11 11 VAL HA H 11 4.793 4.825 -0.032 1
1 128 . 16 1 1 A 11 11 VAL C C 11 175.827 174.569 1.258 1
1 129 . 16 1 1 A 11 11 VAL CA C 11 60.201 60.323 -0.122 1
1 130 . 16 1 1 A 11 11 VAL CB C 11 34.522 32.906 1.616 1
1 133 . 16 1 1 A 11 11 VAL N N 11 126.323 128.222 -1.899 1
1 134 . 16 1 1 A 12 12 GLY H H 12 7.713 7.073 0.640 1
1 135 . 16 1 1 A 12 12 GLY HA2 H 12 3.434 3.238 0.196 1
1 136 . 16 1 1 A 12 12 GLY HA3 H 12 3.563 3.842 -0.279 1
1 137 . 16 1 1 A 12 12 GLY C C 12 170.332 172.763 -2.431 1
1 138 . 16 1 1 A 12 12 GLY CA C 12 45.842 43.261 2.581 1
1 139 . 16 1 1 A 12 12 GLY N N 12 113.216 113.587 -0.371 1
1 140 . 16 1 1 A 13 13 GLU H H 13 8.180 8.228 -0.048 1
1 141 . 16 1 1 A 13 13 GLU HA H 13 4.387 4.415 -0.028 1
1 146 . 16 1 1 A 13 13 GLU C C 13 175.409 175.668 -0.259 1
1 147 . 16 1 1 A 13 13 GLU CA C 13 55.865 56.709 -0.844 1
1 148 . 16 1 1 A 13 13 GLU CB C 13 31.102 30.169 0.933 1
1 150 . 16 1 1 A 13 13 GLU N N 13 119.035 118.335 0.700 1
1 151 . 16 1 1 A 14 14 ASP H H 14 8.095 8.569 -0.474 1
1 152 . 16 1 1 A 14 14 ASP HA H 14 4.888 4.951 -0.063 1
1 155 . 16 1 1 A 14 14 ASP C C 14 174.991 175.586 -0.595 1
1 156 . 16 1 1 A 14 14 ASP CA C 14 52.473 54.054 -1.581 1
1 157 . 16 1 1 A 14 14 ASP CB C 14 40.364 40.905 -0.541 1
1 158 . 16 1 1 A 14 14 ASP N N 14 122.877 123.914 -1.037 1
1 159 . 16 1 1 A 15 15 LYS H H 15 7.345 8.295 -0.950 1
1 160 . 16 1 1 A 15 15 LYS HA H 15 4.550 4.698 -0.148 1
1 169 . 16 1 1 A 15 15 LYS C C 15 176.385 175.145 1.240 1
1 170 . 16 1 1 A 15 15 LYS CA C 15 54.554 55.512 -0.958 1
1 171 . 16 1 1 A 15 15 LYS CB C 15 35.403 35.013 0.390 1
1 175 . 16 1 1 A 15 15 LYS N N 15 120.221 124.604 -4.383 1
1 176 . 16 1 1 A 16 16 ASN H H 16 9.025 9.337 -0.312 1
1 177 . 16 1 1 A 16 16 ASN HA H 16 4.386 4.451 -0.065 1
1 182 . 16 1 1 A 16 16 ASN C C 16 175.916 175.567 0.349 1
1 183 . 16 1 1 A 16 16 ASN CA C 16 54.966 54.386 0.580 1
1 184 . 16 1 1 A 16 16 ASN CB C 16 37.810 37.259 0.551 1
1 185 . 16 1 1 A 16 16 ASN N N 16 119.785 120.327 -0.542 1
1 187 . 16 1 1 A 17 17 GLY H H 17 8.780 8.423 0.357 1
1 188 . 16 1 1 A 17 17 GLY HA2 H 17 4.125 3.924 0.201 1
1 189 . 16 1 1 A 17 17 GLY HA3 H 17 3.970 3.937 0.033 1
1 190 . 16 1 1 A 17 17 GLY C C 17 176.151 175.019 1.132 1
1 191 . 16 1 1 A 17 17 GLY CA C 17 45.996 46.269 -0.273 1
1 192 . 16 1 1 A 17 17 GLY N N 17 110.504 105.252 5.252 1
1 193 . 16 1 1 A 18 18 MET H H 18 7.989 8.380 -0.391 1
1 194 . 16 1 1 A 18 18 MET HA H 18 4.359 4.156 0.203 1
1 202 . 16 1 1 A 18 18 MET C C 18 178.589 177.861 0.728 1
1 203 . 16 1 1 A 18 18 MET CA C 18 57.405 58.438 -1.033 1
1 204 . 16 1 1 A 18 18 MET CB C 18 31.847 32.762 -0.915 1
1 207 . 16 1 1 A 18 18 MET N N 18 121.860 119.933 1.927 1
1 208 . 16 1 1 A 19 19 THR H H 19 8.807 8.013 0.794 1
1 209 . 16 1 1 A 19 19 THR HA H 19 3.233 3.285 -0.052 1
1 215 . 16 1 1 A 19 19 THR C C 19 177.909 176.418 1.491 1
1 216 . 16 1 1 A 19 19 THR CA C 19 65.516 65.488 0.028 1
1 217 . 16 1 1 A 19 19 THR CB C 19 67.000 67.965 -0.965 1
1 219 . 16 1 1 A 19 19 THR N N 19 111.351 112.805 -1.454 1
1 220 . 16 1 1 A 20 20 ASN H H 20 7.936 8.036 -0.100 1
1 221 . 16 1 1 A 20 20 ASN HA H 20 4.083 4.332 -0.249 1
1 226 . 16 1 1 A 20 20 ASN C C 20 176.854 176.969 -0.115 1
1 227 . 16 1 1 A 20 20 ASN CA C 20 57.669 56.575 1.094 1
1 228 . 16 1 1 A 20 20 ASN CB C 20 36.625 38.958 -2.333 1
1 229 . 16 1 1 A 20 20 ASN N N 20 121.577 120.957 0.620 1
1 231 . 16 1 1 A 21 21 GLN H H 21 8.433 8.052 0.381 1
1 232 . 16 1 1 A 21 21 GLN HA H 21 4.046 4.006 0.040 1
1 239 . 16 1 1 A 21 21 GLN C C 21 179.550 178.249 1.301 1
1 240 . 16 1 1 A 21 21 GLN CA C 21 59.187 58.577 0.610 1
1 241 . 16 1 1 A 21 21 GLN CB C 21 28.512 27.973 0.539 1
1 243 . 16 1 1 A 21 21 GLN N N 21 120.250 116.941 3.309 1
1 245 . 16 1 1 A 22 22 ILE H H 22 8.779 8.069 0.710 1
1 246 . 16 1 1 A 22 22 ILE HA H 22 3.823 3.590 0.233 1
1 256 . 16 1 1 A 22 22 ILE C C 22 176.854 177.778 -0.924 1
1 257 . 16 1 1 A 22 22 ILE CA C 22 61.611 65.329 -3.718 1
1 258 . 16 1 1 A 22 22 ILE CB C 22 36.935 37.880 -0.945 1
1 262 . 16 1 1 A 22 22 ILE N N 22 119.497 121.138 -1.641 1
1 263 . 16 1 1 A 23 23 THR H H 23 7.478 7.862 -0.384 1
1 264 . 16 1 1 A 23 23 THR HA H 23 3.523 3.904 -0.381 1
1 270 . 16 1 1 A 23 23 THR C C 23 176.502 176.741 -0.239 1
1 271 . 16 1 1 A 23 23 THR CA C 23 67.006 66.496 0.510 1
1 272 . 16 1 1 A 23 23 THR CB C 23 67.305 67.988 -0.683 1
1 274 . 16 1 1 A 23 23 THR N N 23 115.702 116.335 -0.633 1
1 275 . 16 1 1 A 24 24 GLY H H 24 8.011 8.076 -0.065 1
1 276 . 16 1 1 A 24 24 GLY HA2 H 24 3.880 3.676 0.204 1
1 277 . 16 1 1 A 24 24 GLY HA3 H 24 3.672 3.685 -0.013 1
1 278 . 16 1 1 A 24 24 GLY C C 24 176.385 175.631 0.754 1
1 279 . 16 1 1 A 24 24 GLY CA C 24 47.163 47.309 -0.146 1
1 280 . 16 1 1 A 24 24 GLY N N 24 110.691 107.940 2.751 1
1 281 . 16 1 1 A 25 25 VAL H H 25 7.898 8.197 -0.299 1
1 282 . 16 1 1 A 25 25 VAL HA H 25 3.473 3.657 -0.184 1
1 290 . 16 1 1 A 25 25 VAL C C 25 178.286 177.455 0.831 1
1 291 . 16 1 1 A 25 25 VAL CA C 25 66.432 65.786 0.646 1
1 292 . 16 1 1 A 25 25 VAL CB C 25 31.925 31.689 0.236 1
1 295 . 16 1 1 A 25 25 VAL N N 25 123.276 121.937 1.339 1
1 296 . 16 1 1 A 26 26 ILE H H 26 7.646 7.959 -0.313 1
1 297 . 16 1 1 A 26 26 ILE HA H 26 2.698 2.031 0.667 1
1 307 . 16 1 1 A 26 26 ILE C C 26 177.440 177.777 -0.337 1
1 308 . 16 1 1 A 26 26 ILE CA C 26 64.163 64.650 -0.487 1
1 309 . 16 1 1 A 26 26 ILE CB C 26 37.876 37.395 0.481 1
1 313 . 16 1 1 A 26 26 ILE N N 26 116.606 120.473 -3.867 1
1 314 . 16 1 1 A 27 27 SER H H 27 7.783 7.744 0.039 1
1 315 . 16 1 1 A 27 27 SER HA H 27 3.908 4.115 -0.207 1
1 319 . 16 1 1 A 27 27 SER C C 27 175.330 175.459 -0.129 1
1 320 . 16 1 1 A 27 27 SER CA C 27 61.465 61.041 0.424 1
1 321 . 16 1 1 A 27 27 SER CB C 27 63.388 62.805 0.583 1
1 322 . 16 1 1 A 27 27 SER N N 27 112.932 115.540 -2.608 1
1 323 . 16 1 1 A 28 28 LYS H H 28 7.008 7.338 -0.330 1
1 324 . 16 1 1 A 28 28 LYS HA H 28 4.234 4.304 -0.070 1
1 333 . 16 1 1 A 28 28 LYS C C 28 177.323 176.828 0.495 1
1 334 . 16 1 1 A 28 28 LYS CA C 28 56.161 55.907 0.254 1
1 335 . 16 1 1 A 28 28 LYS CB C 28 32.742 32.786 -0.044 1
1 339 . 16 1 1 A 28 28 LYS N N 28 118.978 118.771 0.207 1
1 340 . 16 1 1 A 29 29 PHE H H 29 7.691 7.358 0.333 1
1 341 . 16 1 1 A 29 29 PHE HA H 29 4.576 4.598 -0.022 1
1 349 . 16 1 1 A 29 29 PHE C C 29 175.841 175.605 0.236 1
1 350 . 16 1 1 A 29 29 PHE CA C 29 56.366 58.289 -1.923 1
1 351 . 16 1 1 A 29 29 PHE CB C 29 38.723 40.541 -1.818 1
1 355 . 16 1 1 A 29 29 PHE N N 29 120.755 119.562 1.193 1
1 356 . 16 1 1 A 30 30 ASP H H 30 8.388 8.937 -0.549 1
1 357 . 16 1 1 A 30 30 ASP HA H 30 4.650 4.878 -0.228 1
1 360 . 16 1 1 A 30 30 ASP C C 30 175.096 175.281 -0.185 1
1 361 . 16 1 1 A 30 30 ASP CA C 30 53.331 54.269 -0.938 1
1 362 . 16 1 1 A 30 30 ASP CB C 30 38.691 41.278 -2.587 1
1 363 . 16 1 1 A 30 30 ASP N N 30 122.230 120.948 1.282 1
1 364 . 16 1 1 A 31 31 THR H H 31 7.663 7.518 0.145 1
1 365 . 16 1 1 A 31 31 THR HA H 31 4.558 4.950 -0.392 1
1 370 . 16 1 1 A 31 31 THR C C 31 173.297 172.310 0.987 1
1 371 . 16 1 1 A 31 31 THR CA C 31 59.333 59.783 -0.450 1
1 372 . 16 1 1 A 31 31 THR CB C 31 70.319 71.974 -1.655 1
1 374 . 16 1 1 A 31 31 THR N N 31 112.538 114.350 -1.812 1
1 375 . 16 1 1 A 32 32 ASN H H 32 8.308 8.642 -0.334 1
1 376 . 16 1 1 A 32 32 ASN HA H 32 4.910 5.046 -0.136 1
1 381 . 16 1 1 A 32 32 ASN C C 32 175.447 174.984 0.463 1
1 382 . 16 1 1 A 32 32 ASN CA C 32 52.732 53.009 -0.277 1
1 383 . 16 1 1 A 32 32 ASN CB C 32 39.337 39.421 -0.084 1
1 384 . 16 1 1 A 32 32 ASN N N 32 121.973 125.124 -3.151 1
1 386 . 16 1 1 A 33 33 ILE H H 33 8.320 8.845 -0.525 1
1 387 . 16 1 1 A 33 33 ILE HA H 33 3.846 4.117 -0.271 1
1 397 . 16 1 1 A 33 33 ILE C C 33 175.230 176.062 -0.832 1
1 398 . 16 1 1 A 33 33 ILE CA C 33 63.300 61.731 1.569 1
1 399 . 16 1 1 A 33 33 ILE CB C 33 39.167 36.876 2.291 1
1 403 . 16 1 1 A 33 33 ILE N N 33 125.984 127.448 -1.464 1
1 404 . 16 1 1 A 34 34 ARG H H 34 8.858 8.856 0.002 1
1 405 . 16 1 1 A 34 34 ARG HA H 34 4.538 4.436 0.102 1
1 413 . 16 1 1 A 34 34 ARG C C 34 175.565 176.208 -0.643 1
1 414 . 16 1 1 A 34 34 ARG CA C 34 54.900 57.799 -2.899 1
1 415 . 16 1 1 A 34 34 ARG CB C 34 30.275 31.453 -1.178 1
1 418 . 16 1 1 A 34 34 ARG N N 34 126.537 129.357 -2.820 1
1 420 . 16 1 1 A 35 35 THR H H 35 7.698 7.525 0.173 1
1 421 . 16 1 1 A 35 35 THR HA H 35 5.311 4.976 0.335 1
1 426 . 16 1 1 A 35 35 THR C C 35 173.807 172.113 1.694 1
1 427 . 16 1 1 A 35 35 THR CA C 35 61.040 61.069 -0.029 1
1 428 . 16 1 1 A 35 35 THR CB C 35 74.055 72.535 1.520 1
1 430 . 16 1 1 A 35 35 THR N N 35 111.895 111.586 0.309 1
1 431 . 16 1 1 A 36 36 ILE H H 36 8.907 9.101 -0.194 1
1 432 . 16 1 1 A 36 36 ILE HA H 36 4.753 5.252 -0.499 1
1 442 . 16 1 1 A 36 36 ILE C C 36 174.275 173.418 0.857 1
1 443 . 16 1 1 A 36 36 ILE CA C 36 61.400 59.620 1.780 1
1 444 . 16 1 1 A 36 36 ILE CB C 36 42.569 41.728 0.841 1
1 448 . 16 1 1 A 36 36 ILE N N 36 123.257 127.872 -4.615 1
1 449 . 16 1 1 A 37 37 VAL H H 37 8.933 9.122 -0.189 1
1 450 . 16 1 1 A 37 37 VAL HA H 37 4.903 4.591 0.312 1
1 458 . 16 1 1 A 37 37 VAL C C 37 174.684 174.013 0.671 1
1 459 . 16 1 1 A 37 37 VAL CA C 37 62.100 61.569 0.531 1
1 460 . 16 1 1 A 37 37 VAL CB C 37 34.186 34.154 0.032 1
1 463 . 16 1 1 A 37 37 VAL N N 37 126.323 128.862 -2.539 1
1 464 . 16 1 1 A 38 38 LEU H H 38 9.751 9.072 0.679 1
1 465 . 16 1 1 A 38 38 LEU HA H 38 5.636 5.550 0.086 1
1 475 . 16 1 1 A 38 38 LEU C C 38 174.510 175.042 -0.532 1
1 476 . 16 1 1 A 38 38 LEU CA C 38 53.810 53.401 0.409 1
1 477 . 16 1 1 A 38 38 LEU CB C 38 45.655 45.291 0.364 1
1 481 . 16 1 1 A 38 38 LEU N N 38 133.332 129.867 3.465 1
1 482 . 16 1 1 A 39 39 ASN H H 39 8.952 8.733 0.219 1
1 483 . 16 1 1 A 39 39 ASN HA H 39 5.450 5.451 -0.001 1
1 488 . 16 1 1 A 39 39 ASN C C 39 172.869 173.307 -0.438 1
1 489 . 16 1 1 A 39 39 ASN CA C 39 53.137 51.444 1.693 1
1 490 . 16 1 1 A 39 39 ASN CB C 39 43.287 42.615 0.672 1
1 491 . 16 1 1 A 39 39 ASN N N 39 123.262 123.490 -0.228 1
1 493 . 16 1 1 A 40 40 ALA H H 40 8.467 8.933 -0.466 1
1 494 . 16 1 1 A 40 40 ALA HA H 40 5.345 5.693 -0.348 1
1 498 . 16 1 1 A 40 40 ALA C C 40 175.447 176.862 -1.415 1
1 499 . 16 1 1 A 40 40 ALA CA C 40 51.370 50.779 0.591 1
1 500 . 16 1 1 A 40 40 ALA CB C 40 20.975 20.739 0.236 1
1 501 . 16 1 1 A 40 40 ALA N N 40 127.058 124.972 2.086 1
1 502 . 16 1 1 A 41 41 LYS H H 41 8.865 8.728 0.137 1
1 503 . 16 1 1 A 41 41 LYS HA H 41 4.435 4.920 -0.485 1
1 512 . 16 1 1 A 41 41 LYS C C 41 175.565 174.792 0.773 1
1 513 . 16 1 1 A 41 41 LYS CA C 41 56.736 54.845 1.891 1
1 514 . 16 1 1 A 41 41 LYS CB C 41 34.811 36.555 -1.744 1
1 518 . 16 1 1 A 41 41 LYS N N 41 121.996 120.734 1.262 1
1 519 . 16 1 1 A 42 42 ASP H H 42 9.197 9.274 -0.077 1
1 520 . 16 1 1 A 42 42 ASP HA H 42 4.373 4.367 0.006 1
1 523 . 16 1 1 A 42 42 ASP C C 42 175.447 176.292 -0.845 1
1 524 . 16 1 1 A 42 42 ASP CA C 42 55.547 55.411 0.136 1
1 525 . 16 1 1 A 42 42 ASP CB C 42 39.485 39.330 0.155 1
1 526 . 16 1 1 A 42 42 ASP N N 42 122.213 119.572 2.641 1
1 527 . 16 1 1 A 43 43 GLY H H 43 9.306 8.691 0.615 1
1 528 . 16 1 1 A 43 43 GLY HA2 H 43 4.443 3.875 0.568 1
1 529 . 16 1 1 A 43 43 GLY HA3 H 43 3.816 3.881 -0.065 1
1 530 . 16 1 1 A 43 43 GLY C C 43 174.979 173.877 1.102 1
1 531 . 16 1 1 A 43 43 GLY CA C 43 45.661 45.622 0.039 1
1 532 . 16 1 1 A 43 43 GLY N N 43 104.610 104.570 0.040 1
1 533 . 16 1 1 A 44 44 ILE H H 44 8.117 7.969 0.148 1
1 534 . 16 1 1 A 44 44 ILE HA H 44 5.112 4.862 0.250 1
1 544 . 16 1 1 A 44 44 ILE C C 44 175.213 174.630 0.583 1
1 545 . 16 1 1 A 44 44 ILE CA C 44 59.040 59.381 -0.341 1
1 546 . 16 1 1 A 44 44 ILE CB C 44 42.013 41.842 0.171 1
1 550 . 16 1 1 A 44 44 ILE N N 44 122.284 121.065 1.219 1
1 551 . 16 1 1 A 45 45 PHE H H 45 8.955 8.488 0.467 1
1 552 . 16 1 1 A 45 45 PHE HA H 45 5.740 5.952 -0.212 1
1 560 . 16 1 1 A 45 45 PHE C C 45 172.283 172.794 -0.511 1
1 561 . 16 1 1 A 45 45 PHE CA C 45 55.872 55.090 0.782 1
1 562 . 16 1 1 A 45 45 PHE CB C 45 42.740 42.693 0.047 1
1 566 . 16 1 1 A 45 45 PHE N N 45 121.747 120.211 1.536 1
1 567 . 16 1 1 A 46 46 THR H H 46 8.659 9.115 -0.456 1
1 568 . 16 1 1 A 46 46 THR HA H 46 5.111 5.161 -0.050 1
1 574 . 16 1 1 A 46 46 THR C C 46 174.041 172.456 1.585 1
1 575 . 16 1 1 A 46 46 THR CA C 46 59.750 59.893 -0.143 1
1 576 . 16 1 1 A 46 46 THR CB C 46 71.380 70.672 0.708 1
1 578 . 16 1 1 A 46 46 THR N N 46 113.420 115.959 -2.539 1
1 579 . 16 1 1 A 47 47 CYS H H 47 9.619 9.532 0.087 1
1 580 . 16 1 1 A 47 47 CYS HA H 47 5.562 4.945 0.617 1
1 584 . 16 1 1 A 47 47 CYS C C 47 172.283 173.351 -1.068 1
1 585 . 16 1 1 A 47 47 CYS CA C 47 56.776 57.706 -0.930 1
1 586 . 16 1 1 A 47 47 CYS CB C 47 29.112 28.756 0.356 1
1 587 . 16 1 1 A 47 47 CYS N N 47 124.781 129.719 -4.938 1
1 588 . 16 1 1 A 48 48 ASN H H 48 9.293 9.543 -0.250 1
1 589 . 16 1 1 A 48 48 ASN HA H 48 5.629 5.219 0.410 1
1 594 . 16 1 1 A 48 48 ASN C C 48 173.455 173.751 -0.296 1
1 595 . 16 1 1 A 48 48 ASN CA C 48 51.962 52.438 -0.476 1
1 596 . 16 1 1 A 48 48 ASN CB C 48 40.059 39.089 0.970 1
1 597 . 16 1 1 A 48 48 ASN N N 48 129.520 125.606 3.914 1
1 599 . 16 1 1 A 49 49 LEU H H 49 9.435 9.264 0.171 1
1 600 . 16 1 1 A 49 49 LEU HA H 49 5.158 4.948 0.210 1
1 610 . 16 1 1 A 49 49 LEU C C 49 174.510 174.558 -0.048 1
1 611 . 16 1 1 A 49 49 LEU CA C 49 53.178 53.647 -0.469 1
1 612 . 16 1 1 A 49 49 LEU CB C 49 46.402 44.618 1.784 1
1 616 . 16 1 1 A 49 49 LEU N N 49 125.541 127.425 -1.884 1
1 617 . 16 1 1 A 50 50 MET H H 50 8.978 9.113 -0.135 1
1 618 . 16 1 1 A 50 50 MET HA H 50 5.723 5.321 0.402 1
1 626 . 16 1 1 A 50 50 MET C C 50 175.682 174.771 0.911 1
1 627 . 16 1 1 A 50 50 MET CA C 50 54.073 54.355 -0.282 1
1 628 . 16 1 1 A 50 50 MET CB C 50 33.643 35.082 -1.439 1
1 631 . 16 1 1 A 50 50 MET N N 50 123.131 124.962 -1.831 1
1 632 . 16 1 1 A 51 51 ILE H H 51 9.056 8.876 0.180 1
1 633 . 16 1 1 A 51 51 ILE HA H 51 5.044 5.019 0.025 1
1 643 . 16 1 1 A 51 51 ILE C C 51 173.689 173.955 -0.266 1
1 644 . 16 1 1 A 51 51 ILE CA C 51 58.495 59.102 -0.607 1
1 645 . 16 1 1 A 51 51 ILE CB C 51 41.447 42.161 -0.714 1
1 649 . 16 1 1 A 51 51 ILE N N 51 118.753 118.465 0.288 1
1 650 . 16 1 1 A 52 52 PHE H H 52 8.324 8.971 -0.647 1
1 651 . 16 1 1 A 52 52 PHE HA H 52 5.345 5.077 0.268 1
1 659 . 16 1 1 A 52 52 PHE C C 52 176.084 175.778 0.306 1
1 660 . 16 1 1 A 52 52 PHE CA C 52 56.478 57.216 -0.738 1
1 661 . 16 1 1 A 52 52 PHE CB C 52 40.520 40.367 0.153 1
1 665 . 16 1 1 A 52 52 PHE N N 52 120.910 122.049 -1.139 1
1 666 . 16 1 1 A 53 53 VAL H H 53 8.865 8.426 0.439 1
1 667 . 16 1 1 A 53 53 VAL HA H 53 4.663 4.737 -0.074 1
1 675 . 16 1 1 A 53 53 VAL C C 53 174.812 175.347 -0.535 1
1 676 . 16 1 1 A 53 53 VAL CA C 53 58.881 58.745 0.136 1
1 677 . 16 1 1 A 53 53 VAL CB C 53 35.707 34.466 1.241 1
1 680 . 16 1 1 A 53 53 VAL N N 53 118.244 116.495 1.749 1
1 681 . 16 1 1 A 54 54 LYS H H 54 8.335 8.659 -0.324 1
1 682 . 16 1 1 A 54 54 LYS HA H 54 4.324 4.312 0.012 1
1 691 . 16 1 1 A 54 54 LYS C C 54 176.655 176.018 0.637 1
1 692 . 16 1 1 A 54 54 LYS CA C 54 58.039 57.046 0.993 1
1 693 . 16 1 1 A 54 54 LYS CB C 54 33.974 33.111 0.863 1
1 697 . 16 1 1 A 54 54 LYS N N 54 120.334 119.194 1.140 1
1 698 . 16 1 1 A 55 55 ASN H H 55 7.235 7.542 -0.307 1
1 699 . 16 1 1 A 55 55 ASN HA H 55 4.888 5.183 -0.295 1
1 704 . 16 1 1 A 55 55 ASN C C 55 175.083 175.273 -0.190 1
1 705 . 16 1 1 A 55 55 ASN CA C 55 52.173 52.166 0.007 1
1 706 . 16 1 1 A 55 55 ASN CB C 55 39.333 40.243 -0.910 1
1 707 . 16 1 1 A 55 55 ASN N N 55 108.018 114.220 -6.202 1
1 709 . 16 1 1 A 56 56 THR H H 56 8.865 8.661 0.204 1
1 710 . 16 1 1 A 56 56 THR HA H 56 4.036 4.262 -0.226 1
1 715 . 16 1 1 A 56 56 THR C C 56 178.637 176.478 2.159 1
1 716 . 16 1 1 A 56 56 THR CA C 56 65.800 66.221 -0.421 1
1 717 . 16 1 1 A 56 56 THR CB C 56 68.341 68.326 0.015 1
1 719 . 16 1 1 A 56 56 THR N N 56 113.338 112.404 0.934 1
1 720 . 16 1 1 A 57 57 ASP H H 57 8.384 8.406 -0.022 1
1 721 . 16 1 1 A 57 57 ASP HA H 57 4.467 4.598 -0.131 1
1 724 . 16 1 1 A 57 57 ASP CA C 57 57.400 57.695 -0.295 1
1 725 . 16 1 1 A 57 57 ASP CB C 57 39.938 41.295 -1.357 1
1 726 . 16 1 1 A 57 57 ASP N N 57 124.402 122.245 2.157 1
1 727 . 16 1 1 A 58 58 LYS H H 58 8.266 8.234 0.032 1
1 728 . 16 1 1 A 58 58 LYS HA H 58 4.172 4.004 0.168 1
1 740 . 16 1 1 A 58 58 LYS C C 58 178.378 178.438 -0.060 1
1 741 . 16 1 1 A 58 58 LYS CA C 58 57.695 58.745 -1.050 1
1 742 . 16 1 1 A 58 58 LYS CB C 58 31.763 32.157 -0.394 1
1 746 . 16 1 1 A 58 58 LYS N N 58 120.194 119.013 1.181 1
1 747 . 16 1 1 A 59 59 LEU H H 59 7.302 7.541 -0.239 1
1 748 . 16 1 1 A 59 59 LEU HA H 59 3.907 4.024 -0.117 1
1 758 . 16 1 1 A 59 59 LEU C C 59 177.909 178.564 -0.655 1
1 759 . 16 1 1 A 59 59 LEU CA C 59 57.979 57.729 0.250 1
1 760 . 16 1 1 A 59 59 LEU CB C 59 41.727 41.709 0.018 1
1 764 . 16 1 1 A 59 59 LEU N N 59 118.583 120.764 -2.181 1
1 765 . 16 1 1 A 60 60 THR H H 60 8.500 8.357 0.143 1
1 766 . 16 1 1 A 60 60 THR HA H 60 3.845 4.114 -0.269 1
1 771 . 16 1 1 A 60 60 THR C C 60 176.502 177.285 -0.783 1
1 772 . 16 1 1 A 60 60 THR CA C 60 66.691 65.492 1.199 1
1 773 . 16 1 1 A 60 60 THR CB C 60 68.390 68.465 -0.075 1
1 775 . 16 1 1 A 60 60 THR N N 60 115.462 112.209 3.253 1
1 776 . 16 1 1 A 61 61 THR H H 61 7.996 7.965 0.031 1
1 777 . 16 1 1 A 61 61 THR HA H 61 4.053 3.945 0.108 1
1 782 . 16 1 1 A 61 61 THR C C 61 176.502 176.492 0.010 1
1 783 . 16 1 1 A 61 61 THR CA C 61 66.420 67.042 -0.622 1
1 784 . 16 1 1 A 61 61 THR CB C 61 68.549 67.880 0.669 1
1 786 . 16 1 1 A 61 61 THR N N 61 117.698 116.472 1.226 1
1 787 . 16 1 1 A 62 62 LEU H H 62 7.717 7.831 -0.114 1
1 788 . 16 1 1 A 62 62 LEU HA H 62 3.542 3.592 -0.050 1
1 798 . 16 1 1 A 62 62 LEU C C 62 178.612 179.251 -0.639 1
1 799 . 16 1 1 A 62 62 LEU CA C 62 57.988 57.641 0.347 1
1 800 . 16 1 1 A 62 62 LEU CB C 62 40.241 40.763 -0.522 1
1 804 . 16 1 1 A 62 62 LEU N N 62 122.534 120.885 1.649 1
1 805 . 16 1 1 A 63 63 MET H H 63 8.230 7.952 0.278 1
1 806 . 16 1 1 A 63 63 MET HA H 63 3.771 4.111 -0.340 1
1 814 . 16 1 1 A 63 63 MET C C 63 177.674 178.140 -0.466 1
1 815 . 16 1 1 A 63 63 MET CA C 63 60.699 58.736 1.963 1
1 816 . 16 1 1 A 63 63 MET CB C 63 33.024 32.459 0.565 1
1 819 . 16 1 1 A 63 63 MET N N 63 116.719 118.103 -1.384 1
1 820 . 16 1 1 A 64 64 ASP H H 64 8.263 8.015 0.248 1
1 821 . 16 1 1 A 64 64 ASP HA H 64 4.401 4.323 0.078 1
1 824 . 16 1 1 A 64 64 ASP C C 64 178.378 178.575 -0.197 1
1 825 . 16 1 1 A 64 64 ASP CA C 64 57.400 57.140 0.260 1
1 826 . 16 1 1 A 64 64 ASP CB C 64 40.703 41.779 -1.076 1
1 827 . 16 1 1 A 64 64 ASP N N 64 118.611 120.594 -1.983 1
1 828 . 16 1 1 A 65 65 LYS H H 65 7.755 7.585 0.170 1
1 829 . 16 1 1 A 65 65 LYS HA H 65 3.970 4.067 -0.097 1
1 838 . 16 1 1 A 65 65 LYS C C 65 179.922 179.414 0.508 1
1 839 . 16 1 1 A 65 65 LYS CA C 65 59.466 59.223 0.243 1
1 840 . 16 1 1 A 65 65 LYS CB C 65 32.372 32.670 -0.298 1
1 844 . 16 1 1 A 65 65 LYS N N 65 118.452 118.755 -0.303 1
1 845 . 16 1 1 A 66 66 LEU H H 66 7.768 8.343 -0.575 1
1 846 . 16 1 1 A 66 66 LEU HA H 66 4.066 4.147 -0.081 1
1 856 . 16 1 1 A 66 66 LEU C C 66 177.557 178.455 -0.898 1
1 857 . 16 1 1 A 66 66 LEU CA C 66 57.550 57.412 0.138 1
1 858 . 16 1 1 A 66 66 LEU CB C 66 43.218 41.309 1.909 1
1 862 . 16 1 1 A 66 66 LEU N N 66 118.471 119.964 -1.493 1
1 863 . 16 1 1 A 67 67 ARG H H 67 8.017 8.132 -0.115 1
1 864 . 16 1 1 A 67 67 ARG HA H 67 3.855 4.123 -0.268 1
1 872 . 16 1 1 A 67 67 ARG C C 67 177.440 178.371 -0.931 1
1 873 . 16 1 1 A 67 67 ARG CA C 67 58.584 58.431 0.153 1
1 874 . 16 1 1 A 67 67 ARG CB C 67 30.313 30.121 0.192 1
1 877 . 16 1 1 A 67 67 ARG N N 67 115.702 120.426 -4.724 1
1 879 . 16 1 1 A 68 68 LYS H H 68 7.168 7.723 -0.555 1
1 880 . 16 1 1 A 68 68 LYS HA H 68 4.198 4.332 -0.134 1
1 889 . 16 1 1 A 68 68 LYS C C 68 176.502 177.164 -0.662 1
1 890 . 16 1 1 A 68 68 LYS CA C 68 56.149 57.479 -1.330 1
1 891 . 16 1 1 A 68 68 LYS CB C 68 32.725 32.824 -0.099 1
1 895 . 16 1 1 A 68 68 LYS N N 68 115.213 117.543 -2.330 1
1 896 . 16 1 1 A 69 69 VAL H H 69 7.348 7.298 0.050 1
1 897 . 16 1 1 A 69 69 VAL HA H 69 3.776 4.191 -0.415 1
1 905 . 16 1 1 A 69 69 VAL C C 69 175.916 177.434 -1.518 1
1 906 . 16 1 1 A 69 69 VAL CA C 69 63.134 63.054 0.080 1
1 907 . 16 1 1 A 69 69 VAL CB C 69 31.075 31.850 -0.775 1
1 910 . 16 1 1 A 69 69 VAL N N 69 123.611 120.278 3.333 1
1 911 . 16 1 1 A 70 70 GLN H H 70 8.632 8.757 -0.125 1
1 912 . 16 1 1 A 70 70 GLN HA H 70 4.072 4.127 -0.055 1
1 919 . 16 1 1 A 70 70 GLN C C 70 176.151 177.912 -1.761 1
1 920 . 16 1 1 A 70 70 GLN CA C 70 57.800 58.126 -0.326 1
1 921 . 16 1 1 A 70 70 GLN CB C 70 28.100 28.195 -0.095 1
1 923 . 16 1 1 A 70 70 GLN N N 70 130.070 126.385 3.685 1
1 925 . 16 1 1 A 71 71 GLY H H 71 8.783 8.219 0.564 1
1 926 . 16 1 1 A 71 71 GLY HA2 H 71 4.598 4.048 0.550 1
1 927 . 16 1 1 A 71 71 GLY HA3 H 71 3.677 4.065 -0.388 1
1 928 . 16 1 1 A 71 71 GLY C C 71 173.924 174.344 -0.420 1
1 929 . 16 1 1 A 71 71 GLY CA C 71 44.941 45.918 -0.977 1
1 930 . 16 1 1 A 71 71 GLY N N 71 113.801 108.156 5.645 1
1 931 . 16 1 1 A 72 72 VAL H H 72 7.805 7.511 0.294 1
1 932 . 16 1 1 A 72 72 VAL HA H 72 3.723 3.868 -0.145 1
1 940 . 16 1 1 A 72 72 VAL C C 72 176.502 176.015 0.487 1
1 941 . 16 1 1 A 72 72 VAL CA C 72 64.020 62.783 1.237 1
1 942 . 16 1 1 A 72 72 VAL CB C 72 32.003 31.953 0.050 1
1 945 . 16 1 1 A 72 72 VAL N N 72 120.334 120.475 -0.141 1
1 946 . 16 1 1 A 73 73 PHE H H 73 9.522 7.384 2.138 1
1 947 . 16 1 1 A 73 73 PHE HA H 73 5.109 4.742 0.367 1
1 955 . 16 1 1 A 73 73 PHE C C 73 176.502 174.449 2.053 1
1 956 . 16 1 1 A 73 73 PHE CA C 73 56.354 56.824 -0.470 1
1 957 . 16 1 1 A 73 73 PHE CB C 73 39.615 39.946 -0.331 1
1 961 . 16 1 1 A 73 73 PHE N N 73 127.542 123.064 4.478 1
1 962 . 16 1 1 A 74 74 THR H H 74 7.972 7.223 0.749 1
1 963 . 16 1 1 A 74 74 THR HA H 74 4.736 4.835 -0.099 1
1 968 . 16 1 1 A 74 74 THR C C 74 172.400 173.303 -0.903 1
1 969 . 16 1 1 A 74 74 THR CA C 74 60.604 60.578 0.026 1
1 970 . 16 1 1 A 74 74 THR CB C 74 72.576 71.383 1.193 1
1 972 . 16 1 1 A 74 74 THR N N 74 111.809 110.078 1.731 1
1 973 . 16 1 1 A 75 75 VAL H H 75 8.584 8.918 -0.334 1
1 974 . 16 1 1 A 75 75 VAL HA H 75 4.878 4.702 0.176 1
1 982 . 16 1 1 A 75 75 VAL C C 75 174.510 175.137 -0.627 1
1 983 . 16 1 1 A 75 75 VAL CA C 75 61.844 61.594 0.250 1
1 984 . 16 1 1 A 75 75 VAL CB C 75 34.500 33.619 0.881 1
1 987 . 16 1 1 A 75 75 VAL N N 75 122.820 126.133 -3.313 1
1 988 . 16 1 1 A 76 76 GLU H H 76 9.029 8.721 0.308 1
1 989 . 16 1 1 A 76 76 GLU HA H 76 4.861 4.937 -0.076 1
1 994 . 16 1 1 A 76 76 GLU C C 76 174.510 174.238 0.272 1
1 995 . 16 1 1 A 76 76 GLU CA C 76 53.757 54.342 -0.585 1
1 996 . 16 1 1 A 76 76 GLU CB C 76 34.230 33.724 0.506 1
1 998 . 16 1 1 A 76 76 GLU N N 76 124.572 125.808 -1.236 1
1 999 . 16 1 1 A 77 77 ARG H H 77 8.962 8.576 0.386 1
1 1000 . 16 1 1 A 77 77 ARG HA H 77 4.736 4.934 -0.198 1
1 1008 . 16 1 1 A 77 77 ARG C C 77 176.502 175.580 0.922 1
1 1009 . 16 1 1 A 77 77 ARG CA C 77 55.521 55.284 0.237 1
1 1010 . 16 1 1 A 77 77 ARG CB C 77 30.893 31.727 -0.834 1
1 1013 . 16 1 1 A 77 77 ARG N N 77 122.875 123.266 -0.391 1
1 1015 . 16 1 1 A 78 78 LEU H H 78 8.252 9.201 -0.949 1
1 1016 . 16 1 1 A 78 78 LEU HA H 78 4.505 4.532 -0.027 1
1 1026 . 16 1 1 A 78 78 LEU C C 78 176.737 177.946 -1.209 1
1 1027 . 16 1 1 A 78 78 LEU CA C 78 53.875 54.235 -0.360 1
1 1028 . 16 1 1 A 78 78 LEU CB C 78 43.228 41.126 2.102 1
1 1032 . 16 1 1 A 78 78 LEU N N 78 127.062 127.439 -0.377 1
1 1033 . 16 1 1 A 79 79 SER H H 79 8.635 8.844 -0.209 1
1 1034 . 16 1 1 A 79 79 SER HA H 79 4.492 4.378 0.114 1
1 1037 . 16 1 1 A 79 79 SER C C 79 174.041 174.810 -0.769 1
1 1038 . 16 1 1 A 79 79 SER CA C 79 58.465 60.898 -2.433 1
1 1039 . 16 1 1 A 79 79 SER CB C 79 63.993 63.066 0.927 1
1 1040 . 16 1 1 A 79 79 SER N N 79 118.446 119.837 -1.391 1
1 1041 . 16 1 1 A 80 80 ASN H H 80 8.421 8.142 0.279 1
1 1042 . 16 1 1 A 80 80 ASN HA H 80 4.668 4.807 -0.139 1
1 1047 . 16 1 1 A 80 80 ASN C C 80 175.096 174.495 0.601 1
1 1048 . 16 1 1 A 80 80 ASN CA C 80 53.300 52.892 0.408 1
1 1049 . 16 1 1 A 80 80 ASN CB C 80 38.300 38.317 -0.017 1
1 1050 . 16 1 1 A 80 80 ASN N N 80 119.339 118.462 0.877 1
1 1052 . 16 1 1 A 81 81 LEU H H 81 8.256 8.979 -0.723 1
1 1053 . 16 1 1 A 81 81 LEU HA H 81 4.258 4.853 -0.595 1
1 1063 . 16 1 1 A 81 81 LEU C C 81 177.323 177.813 -0.490 1
1 1064 . 16 1 1 A 81 81 LEU CA C 81 55.263 53.676 1.587 1
1 1065 . 16 1 1 A 81 81 LEU CB C 81 41.756 43.522 -1.766 1
1 1069 . 16 1 1 A 81 81 LEU N N 81 121.238 125.582 -4.344 1
1 1070 . 16 1 1 A 82 82 GLU H H 82 8.282 8.643 -0.361 1
1 1071 . 16 1 1 A 82 82 GLU HA H 82 4.169 4.779 -0.610 1
1 1076 . 16 1 1 A 82 82 GLU C C 82 176.385 176.391 -0.006 1
1 1077 . 16 1 1 A 82 82 GLU CA C 82 56.762 55.531 1.231 1
1 1078 . 16 1 1 A 82 82 GLU CB C 82 29.997 29.066 0.931 1
1 1080 . 16 1 1 A 82 82 GLU N N 82 120.037 119.212 0.825 1
1 1081 . 16 1 1 A 83 83 HIS H H 83 8.195 7.776 0.419 1
1 1082 . 16 1 1 A 83 83 HIS HA H 83 4.535 4.704 -0.169 1
1 1087 . 16 1 1 A 83 83 HIS C C 83 175.081 173.901 1.180 1
1 1088 . 16 1 1 A 83 83 HIS CA C 83 55.951 54.794 1.157 1
1 1089 . 16 1 1 A 83 83 HIS CB C 83 30.366 27.851 2.515 1
1 1 . 17 1 1 A 2 2 THR HA H 2 3.782 4.568 -0.786 1
1 6 . 17 1 1 A 2 2 THR C C 2 171.502 173.506 -2.004 1
1 7 . 17 1 1 A 2 2 THR CA C 2 61.906 63.065 -1.159 1
1 8 . 17 1 1 A 2 2 THR CB C 2 69.449 72.052 -2.603 1
1 10 . 17 1 1 A 3 3 ASP H H 3 8.636 7.837 0.799 1
1 11 . 17 1 1 A 3 3 ASP HA H 3 4.803 5.558 -0.755 1
1 14 . 17 1 1 A 3 3 ASP C C 3 175.330 174.442 0.888 1
1 15 . 17 1 1 A 3 3 ASP CA C 3 54.454 54.371 0.083 1
1 16 . 17 1 1 A 3 3 ASP CB C 3 41.426 43.253 -1.827 1
1 17 . 17 1 1 A 3 3 ASP N N 3 125.850 119.673 6.177 1
1 18 . 17 1 1 A 4 4 PHE H H 4 8.608 8.499 0.109 1
1 19 . 17 1 1 A 4 4 PHE HA H 4 5.042 5.727 -0.685 1
1 27 . 17 1 1 A 4 4 PHE C C 4 172.986 172.827 0.159 1
1 28 . 17 1 1 A 4 4 PHE CA C 4 55.505 55.282 0.223 1
1 29 . 17 1 1 A 4 4 PHE CB C 4 41.288 42.459 -1.171 1
1 33 . 17 1 1 A 4 4 PHE N N 4 117.566 121.793 -4.227 1
1 34 . 17 1 1 A 5 5 LEU H H 5 8.498 8.509 -0.011 1
1 35 . 17 1 1 A 5 5 LEU HA H 5 4.532 3.852 0.680 1
1 45 . 17 1 1 A 5 5 LEU C C 5 175.330 174.802 0.528 1
1 46 . 17 1 1 A 5 5 LEU CA C 5 54.222 53.719 0.503 1
1 47 . 17 1 1 A 5 5 LEU CB C 5 42.932 42.347 0.585 1
1 51 . 17 1 1 A 5 5 LEU N N 5 123.329 122.191 1.138 1
1 52 . 17 1 1 A 6 6 ALA H H 6 9.325 8.816 0.509 1
1 53 . 17 1 1 A 6 6 ALA HA H 6 4.769 5.151 -0.382 1
1 57 . 17 1 1 A 6 6 ALA C C 6 174.744 176.877 -2.133 1
1 58 . 17 1 1 A 6 6 ALA CA C 6 50.500 50.882 -0.382 1
1 59 . 17 1 1 A 6 6 ALA CB C 6 23.746 20.689 3.057 1
1 60 . 17 1 1 A 6 6 ALA N N 6 129.530 130.424 -0.894 1
1 61 . 17 1 1 A 7 7 GLY H H 7 8.639 8.661 -0.022 1
1 62 . 17 1 1 A 7 7 GLY HA2 H 7 5.721 4.260 1.461 1
1 63 . 17 1 1 A 7 7 GLY HA3 H 7 3.508 4.271 -0.763 1
1 64 . 17 1 1 A 7 7 GLY C C 7 173.221 171.753 1.468 1
1 65 . 17 1 1 A 7 7 GLY CA C 7 45.351 44.189 1.162 1
1 66 . 17 1 1 A 7 7 GLY N N 7 106.888 107.855 -0.967 1
1 67 . 17 1 1 A 8 8 ILE H H 8 9.356 9.031 0.325 1
1 68 . 17 1 1 A 8 8 ILE HA H 8 4.957 5.058 -0.101 1
1 78 . 17 1 1 A 8 8 ILE C C 8 172.986 173.927 -0.941 1
1 79 . 17 1 1 A 8 8 ILE CA C 8 59.551 59.671 -0.120 1
1 80 . 17 1 1 A 8 8 ILE CB C 8 43.405 41.827 1.578 1
1 84 . 17 1 1 A 8 8 ILE N N 8 122.820 123.985 -1.165 1
1 85 . 17 1 1 A 9 9 ARG H H 9 9.364 9.377 -0.013 1
1 86 . 17 1 1 A 9 9 ARG HA H 9 5.609 5.204 0.405 1
1 94 . 17 1 1 A 9 9 ARG C C 9 175.096 174.603 0.493 1
1 95 . 17 1 1 A 9 9 ARG CA C 9 54.192 54.481 -0.289 1
1 96 . 17 1 1 A 9 9 ARG CB C 9 33.400 33.627 -0.227 1
1 99 . 17 1 1 A 9 9 ARG N N 9 126.323 127.122 -0.799 1
1 101 . 17 1 1 A 10 10 ILE H H 10 9.479 9.296 0.183 1
1 102 . 17 1 1 A 10 10 ILE HA H 10 5.089 4.989 0.100 1
1 112 . 17 1 1 A 10 10 ILE C C 10 174.275 174.576 -0.301 1
1 113 . 17 1 1 A 10 10 ILE CA C 10 60.127 60.042 0.085 1
1 114 . 17 1 1 A 10 10 ILE CB C 10 42.651 40.339 2.312 1
1 118 . 17 1 1 A 10 10 ILE N N 10 128.583 126.584 1.999 1
1 119 . 17 1 1 A 11 11 VAL H H 11 8.581 8.713 -0.132 1
1 120 . 17 1 1 A 11 11 VAL HA H 11 4.793 4.973 -0.180 1
1 128 . 17 1 1 A 11 11 VAL C C 11 175.827 174.476 1.351 1
1 129 . 17 1 1 A 11 11 VAL CA C 11 60.201 60.344 -0.143 1
1 130 . 17 1 1 A 11 11 VAL CB C 11 34.522 33.963 0.559 1
1 133 . 17 1 1 A 11 11 VAL N N 11 126.323 128.032 -1.709 1
1 134 . 17 1 1 A 12 12 GLY H H 12 7.713 7.145 0.568 1
1 135 . 17 1 1 A 12 12 GLY HA2 H 12 3.434 3.122 0.312 1
1 136 . 17 1 1 A 12 12 GLY HA3 H 12 3.563 3.746 -0.183 1
1 137 . 17 1 1 A 12 12 GLY C C 12 170.332 172.906 -2.574 1
1 138 . 17 1 1 A 12 12 GLY CA C 12 45.842 43.626 2.216 1
1 139 . 17 1 1 A 12 12 GLY N N 12 113.216 113.189 0.027 1
1 140 . 17 1 1 A 13 13 GLU H H 13 8.180 8.382 -0.202 1
1 141 . 17 1 1 A 13 13 GLU HA H 13 4.387 4.366 0.021 1
1 146 . 17 1 1 A 13 13 GLU C C 13 175.409 175.654 -0.245 1
1 147 . 17 1 1 A 13 13 GLU CA C 13 55.865 56.812 -0.947 1
1 148 . 17 1 1 A 13 13 GLU CB C 13 31.102 30.061 1.041 1
1 150 . 17 1 1 A 13 13 GLU N N 13 119.035 118.591 0.444 1
1 151 . 17 1 1 A 14 14 ASP H H 14 8.095 8.850 -0.755 1
1 152 . 17 1 1 A 14 14 ASP HA H 14 4.888 4.976 -0.088 1
1 155 . 17 1 1 A 14 14 ASP C C 14 174.991 175.866 -0.875 1
1 156 . 17 1 1 A 14 14 ASP CA C 14 52.473 54.130 -1.657 1
1 157 . 17 1 1 A 14 14 ASP CB C 14 40.364 41.469 -1.105 1
1 158 . 17 1 1 A 14 14 ASP N N 14 122.877 124.496 -1.619 1
1 159 . 17 1 1 A 15 15 LYS H H 15 7.345 8.580 -1.235 1
1 160 . 17 1 1 A 15 15 LYS HA H 15 4.550 4.810 -0.260 1
1 169 . 17 1 1 A 15 15 LYS C C 15 176.385 175.251 1.134 1
1 170 . 17 1 1 A 15 15 LYS CA C 15 54.554 55.272 -0.718 1
1 171 . 17 1 1 A 15 15 LYS CB C 15 35.403 35.167 0.236 1
1 175 . 17 1 1 A 15 15 LYS N N 15 120.221 124.169 -3.948 1
1 176 . 17 1 1 A 16 16 ASN H H 16 9.025 9.393 -0.368 1
1 177 . 17 1 1 A 16 16 ASN HA H 16 4.386 4.502 -0.116 1
1 182 . 17 1 1 A 16 16 ASN C C 16 175.916 175.586 0.330 1
1 183 . 17 1 1 A 16 16 ASN CA C 16 54.966 54.418 0.548 1
1 184 . 17 1 1 A 16 16 ASN CB C 16 37.810 37.262 0.548 1
1 185 . 17 1 1 A 16 16 ASN N N 16 119.785 121.842 -2.057 1
1 187 . 17 1 1 A 17 17 GLY H H 17 8.780 8.366 0.414 1
1 188 . 17 1 1 A 17 17 GLY HA2 H 17 4.125 3.961 0.164 1
1 189 . 17 1 1 A 17 17 GLY HA3 H 17 3.970 3.968 0.002 1
1 190 . 17 1 1 A 17 17 GLY C C 17 176.151 175.135 1.016 1
1 191 . 17 1 1 A 17 17 GLY CA C 17 45.996 46.259 -0.263 1
1 192 . 17 1 1 A 17 17 GLY N N 17 110.504 105.137 5.367 1
1 193 . 17 1 1 A 18 18 MET H H 18 7.989 8.334 -0.345 1
1 194 . 17 1 1 A 18 18 MET HA H 18 4.359 4.178 0.181 1
1 202 . 17 1 1 A 18 18 MET C C 18 178.589 178.093 0.496 1
1 203 . 17 1 1 A 18 18 MET CA C 18 57.405 58.232 -0.827 1
1 204 . 17 1 1 A 18 18 MET CB C 18 31.847 33.578 -1.731 1
1 207 . 17 1 1 A 18 18 MET N N 18 121.860 119.315 2.545 1
1 208 . 17 1 1 A 19 19 THR H H 19 8.807 8.052 0.755 1
1 209 . 17 1 1 A 19 19 THR HA H 19 3.233 3.550 -0.317 1
1 215 . 17 1 1 A 19 19 THR C C 19 177.909 176.882 1.027 1
1 216 . 17 1 1 A 19 19 THR CA C 19 65.516 65.563 -0.047 1
1 217 . 17 1 1 A 19 19 THR CB C 19 67.000 68.144 -1.144 1
1 219 . 17 1 1 A 19 19 THR N N 19 111.351 112.156 -0.805 1
1 220 . 17 1 1 A 20 20 ASN H H 20 7.936 7.889 0.047 1
1 221 . 17 1 1 A 20 20 ASN HA H 20 4.083 4.462 -0.379 1
1 226 . 17 1 1 A 20 20 ASN C C 20 176.854 177.661 -0.807 1
1 227 . 17 1 1 A 20 20 ASN CA C 20 57.669 55.911 1.758 1
1 228 . 17 1 1 A 20 20 ASN CB C 20 36.625 38.285 -1.660 1
1 229 . 17 1 1 A 20 20 ASN N N 20 121.577 120.307 1.270 1
1 231 . 17 1 1 A 21 21 GLN H H 21 8.433 7.703 0.730 1
1 232 . 17 1 1 A 21 21 GLN HA H 21 4.046 4.007 0.039 1
1 239 . 17 1 1 A 21 21 GLN C C 21 179.550 178.324 1.226 1
1 240 . 17 1 1 A 21 21 GLN CA C 21 59.187 58.571 0.616 1
1 241 . 17 1 1 A 21 21 GLN CB C 21 28.512 28.075 0.437 1
1 243 . 17 1 1 A 21 21 GLN N N 21 120.250 117.204 3.046 1
1 245 . 17 1 1 A 22 22 ILE H H 22 8.779 7.987 0.792 1
1 246 . 17 1 1 A 22 22 ILE HA H 22 3.823 3.599 0.224 1
1 256 . 17 1 1 A 22 22 ILE C C 22 176.854 177.760 -0.906 1
1 257 . 17 1 1 A 22 22 ILE CA C 22 61.611 65.400 -3.789 1
1 258 . 17 1 1 A 22 22 ILE CB C 22 36.935 37.782 -0.847 1
1 262 . 17 1 1 A 22 22 ILE N N 22 119.497 121.227 -1.730 1
1 263 . 17 1 1 A 23 23 THR H H 23 7.478 7.734 -0.256 1
1 264 . 17 1 1 A 23 23 THR HA H 23 3.523 3.925 -0.402 1
1 270 . 17 1 1 A 23 23 THR C C 23 176.502 176.746 -0.244 1
1 271 . 17 1 1 A 23 23 THR CA C 23 67.006 66.348 0.658 1
1 272 . 17 1 1 A 23 23 THR CB C 23 67.305 68.341 -1.036 1
1 274 . 17 1 1 A 23 23 THR N N 23 115.702 116.071 -0.369 1
1 275 . 17 1 1 A 24 24 GLY H H 24 8.011 8.034 -0.023 1
1 276 . 17 1 1 A 24 24 GLY HA2 H 24 3.880 3.660 0.220 1
1 277 . 17 1 1 A 24 24 GLY HA3 H 24 3.672 3.665 0.007 1
1 278 . 17 1 1 A 24 24 GLY C C 24 176.385 175.813 0.572 1
1 279 . 17 1 1 A 24 24 GLY CA C 24 47.163 47.235 -0.072 1
1 280 . 17 1 1 A 24 24 GLY N N 24 110.691 107.946 2.745 1
1 281 . 17 1 1 A 25 25 VAL H H 25 7.898 8.124 -0.226 1
1 282 . 17 1 1 A 25 25 VAL HA H 25 3.473 3.582 -0.109 1
1 290 . 17 1 1 A 25 25 VAL C C 25 178.286 177.375 0.911 1
1 291 . 17 1 1 A 25 25 VAL CA C 25 66.432 65.718 0.714 1
1 292 . 17 1 1 A 25 25 VAL CB C 25 31.925 31.674 0.251 1
1 295 . 17 1 1 A 25 25 VAL N N 25 123.276 121.852 1.424 1
1 296 . 17 1 1 A 26 26 ILE H H 26 7.646 7.857 -0.211 1
1 297 . 17 1 1 A 26 26 ILE HA H 26 2.698 2.677 0.021 1
1 307 . 17 1 1 A 26 26 ILE C C 26 177.440 177.556 -0.116 1
1 308 . 17 1 1 A 26 26 ILE CA C 26 64.163 64.897 -0.734 1
1 309 . 17 1 1 A 26 26 ILE CB C 26 37.876 37.583 0.293 1
1 313 . 17 1 1 A 26 26 ILE N N 26 116.606 120.856 -4.250 1
1 314 . 17 1 1 A 27 27 SER H H 27 7.783 7.499 0.284 1
1 315 . 17 1 1 A 27 27 SER HA H 27 3.908 4.084 -0.176 1
1 319 . 17 1 1 A 27 27 SER C C 27 175.330 175.431 -0.101 1
1 320 . 17 1 1 A 27 27 SER CA C 27 61.465 62.055 -0.590 1
1 321 . 17 1 1 A 27 27 SER CB C 27 63.388 62.841 0.547 1
1 322 . 17 1 1 A 27 27 SER N N 27 112.932 116.111 -3.179 1
1 323 . 17 1 1 A 28 28 LYS H H 28 7.008 7.846 -0.838 1
1 324 . 17 1 1 A 28 28 LYS HA H 28 4.234 4.201 0.033 1
1 333 . 17 1 1 A 28 28 LYS C C 28 177.323 177.541 -0.218 1
1 334 . 17 1 1 A 28 28 LYS CA C 28 56.161 56.849 -0.688 1
1 335 . 17 1 1 A 28 28 LYS CB C 28 32.742 32.117 0.625 1
1 339 . 17 1 1 A 28 28 LYS N N 28 118.978 118.819 0.159 1
1 340 . 17 1 1 A 29 29 PHE H H 29 7.691 7.180 0.511 1
1 341 . 17 1 1 A 29 29 PHE HA H 29 4.576 4.587 -0.011 1
1 349 . 17 1 1 A 29 29 PHE C C 29 175.841 174.699 1.142 1
1 350 . 17 1 1 A 29 29 PHE CA C 29 56.366 57.243 -0.877 1
1 351 . 17 1 1 A 29 29 PHE CB C 29 38.723 39.121 -0.398 1
1 355 . 17 1 1 A 29 29 PHE N N 29 120.755 117.424 3.331 1
1 356 . 17 1 1 A 30 30 ASP H H 30 8.388 8.077 0.311 1
1 357 . 17 1 1 A 30 30 ASP HA H 30 4.650 4.320 0.330 1
1 360 . 17 1 1 A 30 30 ASP C C 30 175.096 174.385 0.711 1
1 361 . 17 1 1 A 30 30 ASP CA C 30 53.331 55.804 -2.473 1
1 362 . 17 1 1 A 30 30 ASP CB C 30 38.691 39.654 -0.963 1
1 363 . 17 1 1 A 30 30 ASP N N 30 122.230 116.118 6.112 1
1 364 . 17 1 1 A 31 31 THR H H 31 7.663 7.914 -0.251 1
1 365 . 17 1 1 A 31 31 THR HA H 31 4.558 4.697 -0.139 1
1 370 . 17 1 1 A 31 31 THR C C 31 173.297 173.351 -0.054 1
1 371 . 17 1 1 A 31 31 THR CA C 31 59.333 60.517 -1.184 1
1 372 . 17 1 1 A 31 31 THR CB C 31 70.319 71.276 -0.957 1
1 374 . 17 1 1 A 31 31 THR N N 31 112.538 114.329 -1.791 1
1 375 . 17 1 1 A 32 32 ASN H H 32 8.308 8.618 -0.310 1
1 376 . 17 1 1 A 32 32 ASN HA H 32 4.910 4.910 0.000 1
1 381 . 17 1 1 A 32 32 ASN C C 32 175.447 174.903 0.544 1
1 382 . 17 1 1 A 32 32 ASN CA C 32 52.732 53.559 -0.827 1
1 383 . 17 1 1 A 32 32 ASN CB C 32 39.337 39.237 0.100 1
1 384 . 17 1 1 A 32 32 ASN N N 32 121.973 125.481 -3.508 1
1 386 . 17 1 1 A 33 33 ILE H H 33 8.320 8.808 -0.488 1
1 387 . 17 1 1 A 33 33 ILE HA H 33 3.846 4.126 -0.280 1
1 397 . 17 1 1 A 33 33 ILE C C 33 175.230 176.341 -1.111 1
1 398 . 17 1 1 A 33 33 ILE CA C 33 63.300 61.711 1.589 1
1 399 . 17 1 1 A 33 33 ILE CB C 33 39.167 36.765 2.402 1
1 403 . 17 1 1 A 33 33 ILE N N 33 125.984 127.519 -1.535 1
1 404 . 17 1 1 A 34 34 ARG H H 34 8.858 8.729 0.129 1
1 405 . 17 1 1 A 34 34 ARG HA H 34 4.538 4.339 0.199 1
1 413 . 17 1 1 A 34 34 ARG C C 34 175.565 175.800 -0.235 1
1 414 . 17 1 1 A 34 34 ARG CA C 34 54.900 58.038 -3.138 1
1 415 . 17 1 1 A 34 34 ARG CB C 34 30.275 31.624 -1.349 1
1 418 . 17 1 1 A 34 34 ARG N N 34 126.537 130.231 -3.694 1
1 420 . 17 1 1 A 35 35 THR H H 35 7.698 7.538 0.160 1
1 421 . 17 1 1 A 35 35 THR HA H 35 5.311 4.938 0.373 1
1 426 . 17 1 1 A 35 35 THR C C 35 173.807 172.217 1.590 1
1 427 . 17 1 1 A 35 35 THR CA C 35 61.040 61.121 -0.081 1
1 428 . 17 1 1 A 35 35 THR CB C 35 74.055 72.511 1.544 1
1 430 . 17 1 1 A 35 35 THR N N 35 111.895 110.288 1.607 1
1 431 . 17 1 1 A 36 36 ILE H H 36 8.907 8.975 -0.068 1
1 432 . 17 1 1 A 36 36 ILE HA H 36 4.753 5.256 -0.503 1
1 442 . 17 1 1 A 36 36 ILE C C 36 174.275 173.293 0.982 1
1 443 . 17 1 1 A 36 36 ILE CA C 36 61.400 59.848 1.552 1
1 444 . 17 1 1 A 36 36 ILE CB C 36 42.569 41.737 0.832 1
1 448 . 17 1 1 A 36 36 ILE N N 36 123.257 127.673 -4.416 1
1 449 . 17 1 1 A 37 37 VAL H H 37 8.933 8.892 0.041 1
1 450 . 17 1 1 A 37 37 VAL HA H 37 4.903 4.614 0.289 1
1 458 . 17 1 1 A 37 37 VAL C C 37 174.684 173.933 0.751 1
1 459 . 17 1 1 A 37 37 VAL CA C 37 62.100 61.585 0.515 1
1 460 . 17 1 1 A 37 37 VAL CB C 37 34.186 34.170 0.016 1
1 463 . 17 1 1 A 37 37 VAL N N 37 126.323 128.872 -2.549 1
1 464 . 17 1 1 A 38 38 LEU H H 38 9.751 9.125 0.626 1
1 465 . 17 1 1 A 38 38 LEU HA H 38 5.636 5.498 0.138 1
1 475 . 17 1 1 A 38 38 LEU C C 38 174.510 175.016 -0.506 1
1 476 . 17 1 1 A 38 38 LEU CA C 38 53.810 53.579 0.231 1
1 477 . 17 1 1 A 38 38 LEU CB C 38 45.655 45.338 0.317 1
1 481 . 17 1 1 A 38 38 LEU N N 38 133.332 129.894 3.438 1
1 482 . 17 1 1 A 39 39 ASN H H 39 8.952 8.706 0.246 1
1 483 . 17 1 1 A 39 39 ASN HA H 39 5.450 5.573 -0.123 1
1 488 . 17 1 1 A 39 39 ASN C C 39 172.869 173.318 -0.449 1
1 489 . 17 1 1 A 39 39 ASN CA C 39 53.137 51.355 1.782 1
1 490 . 17 1 1 A 39 39 ASN CB C 39 43.287 42.412 0.875 1
1 491 . 17 1 1 A 39 39 ASN N N 39 123.262 123.614 -0.352 1
1 493 . 17 1 1 A 40 40 ALA H H 40 8.467 9.037 -0.570 1
1 494 . 17 1 1 A 40 40 ALA HA H 40 5.345 5.263 0.082 1
1 498 . 17 1 1 A 40 40 ALA C C 40 175.447 176.901 -1.454 1
1 499 . 17 1 1 A 40 40 ALA CA C 40 51.370 51.014 0.356 1
1 500 . 17 1 1 A 40 40 ALA CB C 40 20.975 20.198 0.777 1
1 501 . 17 1 1 A 40 40 ALA N N 40 127.058 126.010 1.048 1
1 502 . 17 1 1 A 41 41 LYS H H 41 8.865 8.621 0.244 1
1 503 . 17 1 1 A 41 41 LYS HA H 41 4.435 4.905 -0.470 1
1 512 . 17 1 1 A 41 41 LYS C C 41 175.565 175.009 0.556 1
1 513 . 17 1 1 A 41 41 LYS CA C 41 56.736 54.594 2.142 1
1 514 . 17 1 1 A 41 41 LYS CB C 41 34.811 35.810 -0.999 1
1 518 . 17 1 1 A 41 41 LYS N N 41 121.996 122.063 -0.067 1
1 519 . 17 1 1 A 42 42 ASP H H 42 9.197 9.390 -0.193 1
1 520 . 17 1 1 A 42 42 ASP HA H 42 4.373 4.361 0.012 1
1 523 . 17 1 1 A 42 42 ASP C C 42 175.447 176.264 -0.817 1
1 524 . 17 1 1 A 42 42 ASP CA C 42 55.547 55.365 0.182 1
1 525 . 17 1 1 A 42 42 ASP CB C 42 39.485 39.255 0.230 1
1 526 . 17 1 1 A 42 42 ASP N N 42 122.213 119.909 2.304 1
1 527 . 17 1 1 A 43 43 GLY H H 43 9.306 8.642 0.664 1
1 528 . 17 1 1 A 43 43 GLY HA2 H 43 4.443 3.859 0.584 1
1 529 . 17 1 1 A 43 43 GLY HA3 H 43 3.816 3.864 -0.048 1
1 530 . 17 1 1 A 43 43 GLY C C 43 174.979 173.830 1.149 1
1 531 . 17 1 1 A 43 43 GLY CA C 43 45.661 45.521 0.140 1
1 532 . 17 1 1 A 43 43 GLY N N 43 104.610 104.795 -0.185 1
1 533 . 17 1 1 A 44 44 ILE H H 44 8.117 8.000 0.117 1
1 534 . 17 1 1 A 44 44 ILE HA H 44 5.112 4.795 0.317 1
1 544 . 17 1 1 A 44 44 ILE C C 44 175.213 174.875 0.338 1
1 545 . 17 1 1 A 44 44 ILE CA C 44 59.040 59.321 -0.281 1
1 546 . 17 1 1 A 44 44 ILE CB C 44 42.013 40.934 1.079 1
1 550 . 17 1 1 A 44 44 ILE N N 44 122.284 122.195 0.089 1
1 551 . 17 1 1 A 45 45 PHE H H 45 8.955 8.429 0.526 1
1 552 . 17 1 1 A 45 45 PHE HA H 45 5.740 6.065 -0.325 1
1 560 . 17 1 1 A 45 45 PHE C C 45 172.283 173.582 -1.299 1
1 561 . 17 1 1 A 45 45 PHE CA C 45 55.872 54.924 0.948 1
1 562 . 17 1 1 A 45 45 PHE CB C 45 42.740 42.508 0.232 1
1 566 . 17 1 1 A 45 45 PHE N N 45 121.747 121.632 0.115 1
1 567 . 17 1 1 A 46 46 THR H H 46 8.659 9.052 -0.393 1
1 568 . 17 1 1 A 46 46 THR HA H 46 5.111 5.146 -0.035 1
1 574 . 17 1 1 A 46 46 THR C C 46 174.041 172.469 1.572 1
1 575 . 17 1 1 A 46 46 THR CA C 46 59.750 60.266 -0.516 1
1 576 . 17 1 1 A 46 46 THR CB C 46 71.380 70.415 0.965 1
1 578 . 17 1 1 A 46 46 THR N N 46 113.420 116.421 -3.001 1
1 579 . 17 1 1 A 47 47 CYS H H 47 9.619 9.602 0.017 1
1 580 . 17 1 1 A 47 47 CYS HA H 47 5.562 5.203 0.359 1
1 584 . 17 1 1 A 47 47 CYS C C 47 172.283 173.174 -0.891 1
1 585 . 17 1 1 A 47 47 CYS CA C 47 56.776 57.496 -0.720 1
1 586 . 17 1 1 A 47 47 CYS CB C 47 29.112 29.245 -0.133 1
1 587 . 17 1 1 A 47 47 CYS N N 47 124.781 129.753 -4.972 1
1 588 . 17 1 1 A 48 48 ASN H H 48 9.293 9.614 -0.321 1
1 589 . 17 1 1 A 48 48 ASN HA H 48 5.629 5.263 0.366 1
1 594 . 17 1 1 A 48 48 ASN C C 48 173.455 173.701 -0.246 1
1 595 . 17 1 1 A 48 48 ASN CA C 48 51.962 52.454 -0.492 1
1 596 . 17 1 1 A 48 48 ASN CB C 48 40.059 39.329 0.730 1
1 597 . 17 1 1 A 48 48 ASN N N 48 129.520 125.553 3.967 1
1 599 . 17 1 1 A 49 49 LEU H H 49 9.435 9.277 0.158 1
1 600 . 17 1 1 A 49 49 LEU HA H 49 5.158 4.967 0.191 1
1 610 . 17 1 1 A 49 49 LEU C C 49 174.510 174.568 -0.058 1
1 611 . 17 1 1 A 49 49 LEU CA C 49 53.178 53.662 -0.484 1
1 612 . 17 1 1 A 49 49 LEU CB C 49 46.402 44.609 1.793 1
1 616 . 17 1 1 A 49 49 LEU N N 49 125.541 127.051 -1.510 1
1 617 . 17 1 1 A 50 50 MET H H 50 8.978 9.171 -0.193 1
1 618 . 17 1 1 A 50 50 MET HA H 50 5.723 5.464 0.259 1
1 626 . 17 1 1 A 50 50 MET C C 50 175.682 174.835 0.847 1
1 627 . 17 1 1 A 50 50 MET CA C 50 54.073 54.445 -0.372 1
1 628 . 17 1 1 A 50 50 MET CB C 50 33.643 35.392 -1.749 1
1 631 . 17 1 1 A 50 50 MET N N 50 123.131 124.961 -1.830 1
1 632 . 17 1 1 A 51 51 ILE H H 51 9.056 8.867 0.189 1
1 633 . 17 1 1 A 51 51 ILE HA H 51 5.044 5.049 -0.005 1
1 643 . 17 1 1 A 51 51 ILE C C 51 173.689 173.867 -0.178 1
1 644 . 17 1 1 A 51 51 ILE CA C 51 58.495 59.120 -0.625 1
1 645 . 17 1 1 A 51 51 ILE CB C 51 41.447 42.240 -0.793 1
1 649 . 17 1 1 A 51 51 ILE N N 51 118.753 118.161 0.592 1
1 650 . 17 1 1 A 52 52 PHE H H 52 8.324 8.934 -0.610 1
1 651 . 17 1 1 A 52 52 PHE HA H 52 5.345 5.282 0.063 1
1 659 . 17 1 1 A 52 52 PHE C C 52 176.084 175.471 0.613 1
1 660 . 17 1 1 A 52 52 PHE CA C 52 56.478 57.215 -0.737 1
1 661 . 17 1 1 A 52 52 PHE CB C 52 40.520 41.352 -0.832 1
1 665 . 17 1 1 A 52 52 PHE N N 52 120.910 122.067 -1.157 1
1 666 . 17 1 1 A 53 53 VAL H H 53 8.865 7.987 0.878 1
1 667 . 17 1 1 A 53 53 VAL HA H 53 4.663 4.626 0.037 1
1 675 . 17 1 1 A 53 53 VAL C C 53 174.812 175.568 -0.756 1
1 676 . 17 1 1 A 53 53 VAL CA C 53 58.881 59.177 -0.296 1
1 677 . 17 1 1 A 53 53 VAL CB C 53 35.707 35.471 0.236 1
1 680 . 17 1 1 A 53 53 VAL N N 53 118.244 114.829 3.415 1
1 681 . 17 1 1 A 54 54 LYS H H 54 8.335 8.700 -0.365 1
1 682 . 17 1 1 A 54 54 LYS HA H 54 4.324 4.474 -0.150 1
1 691 . 17 1 1 A 54 54 LYS C C 54 176.655 176.056 0.599 1
1 692 . 17 1 1 A 54 54 LYS CA C 54 58.039 56.621 1.418 1
1 693 . 17 1 1 A 54 54 LYS CB C 54 33.974 33.161 0.813 1
1 697 . 17 1 1 A 54 54 LYS N N 54 120.334 119.952 0.382 1
1 698 . 17 1 1 A 55 55 ASN H H 55 7.235 7.537 -0.302 1
1 699 . 17 1 1 A 55 55 ASN HA H 55 4.888 5.194 -0.306 1
1 704 . 17 1 1 A 55 55 ASN C C 55 175.083 175.346 -0.263 1
1 705 . 17 1 1 A 55 55 ASN CA C 55 52.173 51.992 0.181 1
1 706 . 17 1 1 A 55 55 ASN CB C 55 39.333 41.113 -1.780 1
1 707 . 17 1 1 A 55 55 ASN N N 55 108.018 115.173 -7.155 1
1 709 . 17 1 1 A 56 56 THR H H 56 8.865 8.662 0.203 1
1 710 . 17 1 1 A 56 56 THR HA H 56 4.036 4.290 -0.254 1
1 715 . 17 1 1 A 56 56 THR C C 56 178.637 176.518 2.119 1
1 716 . 17 1 1 A 56 56 THR CA C 56 65.800 65.038 0.762 1
1 717 . 17 1 1 A 56 56 THR CB C 56 68.341 68.879 -0.538 1
1 719 . 17 1 1 A 56 56 THR N N 56 113.338 112.623 0.715 1
1 720 . 17 1 1 A 57 57 ASP H H 57 8.384 8.335 0.049 1
1 721 . 17 1 1 A 57 57 ASP HA H 57 4.467 4.296 0.171 1
1 724 . 17 1 1 A 57 57 ASP CA C 57 57.400 57.899 -0.499 1
1 725 . 17 1 1 A 57 57 ASP CB C 57 39.938 41.073 -1.135 1
1 726 . 17 1 1 A 57 57 ASP N N 57 124.402 121.953 2.449 1
1 727 . 17 1 1 A 58 58 LYS H H 58 8.266 8.142 0.124 1
1 728 . 17 1 1 A 58 58 LYS HA H 58 4.172 4.043 0.129 1
1 740 . 17 1 1 A 58 58 LYS C C 58 178.378 178.779 -0.401 1
1 741 . 17 1 1 A 58 58 LYS CA C 58 57.695 59.296 -1.601 1
1 742 . 17 1 1 A 58 58 LYS CB C 58 31.763 31.883 -0.120 1
1 746 . 17 1 1 A 58 58 LYS N N 58 120.194 120.115 0.079 1
1 747 . 17 1 1 A 59 59 LEU H H 59 7.302 7.232 0.070 1
1 748 . 17 1 1 A 59 59 LEU HA H 59 3.907 3.926 -0.019 1
1 758 . 17 1 1 A 59 59 LEU C C 59 177.909 178.293 -0.384 1
1 759 . 17 1 1 A 59 59 LEU CA C 59 57.979 58.037 -0.058 1
1 760 . 17 1 1 A 59 59 LEU CB C 59 41.727 41.596 0.131 1
1 764 . 17 1 1 A 59 59 LEU N N 59 118.583 121.017 -2.434 1
1 765 . 17 1 1 A 60 60 THR H H 60 8.500 8.016 0.484 1
1 766 . 17 1 1 A 60 60 THR HA H 60 3.845 4.061 -0.216 1
1 771 . 17 1 1 A 60 60 THR C C 60 176.502 177.293 -0.791 1
1 772 . 17 1 1 A 60 60 THR CA C 60 66.691 65.501 1.190 1
1 773 . 17 1 1 A 60 60 THR CB C 60 68.390 68.405 -0.015 1
1 775 . 17 1 1 A 60 60 THR N N 60 115.462 111.513 3.949 1
1 776 . 17 1 1 A 61 61 THR H H 61 7.996 7.790 0.206 1
1 777 . 17 1 1 A 61 61 THR HA H 61 4.053 3.953 0.100 1
1 782 . 17 1 1 A 61 61 THR C C 61 176.502 176.567 -0.065 1
1 783 . 17 1 1 A 61 61 THR CA C 61 66.420 66.987 -0.567 1
1 784 . 17 1 1 A 61 61 THR CB C 61 68.549 68.013 0.536 1
1 786 . 17 1 1 A 61 61 THR N N 61 117.698 116.487 1.211 1
1 787 . 17 1 1 A 62 62 LEU H H 62 7.717 7.641 0.076 1
1 788 . 17 1 1 A 62 62 LEU HA H 62 3.542 3.465 0.077 1
1 798 . 17 1 1 A 62 62 LEU C C 62 178.612 179.191 -0.579 1
1 799 . 17 1 1 A 62 62 LEU CA C 62 57.988 57.488 0.500 1
1 800 . 17 1 1 A 62 62 LEU CB C 62 40.241 40.571 -0.330 1
1 804 . 17 1 1 A 62 62 LEU N N 62 122.534 120.856 1.678 1
1 805 . 17 1 1 A 63 63 MET H H 63 8.230 7.786 0.444 1
1 806 . 17 1 1 A 63 63 MET HA H 63 3.771 4.063 -0.292 1
1 814 . 17 1 1 A 63 63 MET C C 63 177.674 178.122 -0.448 1
1 815 . 17 1 1 A 63 63 MET CA C 63 60.699 58.832 1.867 1
1 816 . 17 1 1 A 63 63 MET CB C 63 33.024 32.276 0.748 1
1 819 . 17 1 1 A 63 63 MET N N 63 116.719 117.899 -1.180 1
1 820 . 17 1 1 A 64 64 ASP H H 64 8.263 7.939 0.324 1
1 821 . 17 1 1 A 64 64 ASP HA H 64 4.401 4.322 0.079 1
1 824 . 17 1 1 A 64 64 ASP C C 64 178.378 178.472 -0.094 1
1 825 . 17 1 1 A 64 64 ASP CA C 64 57.400 57.043 0.357 1
1 826 . 17 1 1 A 64 64 ASP CB C 64 40.703 41.761 -1.058 1
1 827 . 17 1 1 A 64 64 ASP N N 64 118.611 120.623 -2.012 1
1 828 . 17 1 1 A 65 65 LYS H H 65 7.755 7.555 0.200 1
1 829 . 17 1 1 A 65 65 LYS HA H 65 3.970 4.118 -0.148 1
1 838 . 17 1 1 A 65 65 LYS C C 65 179.922 179.439 0.483 1
1 839 . 17 1 1 A 65 65 LYS CA C 65 59.466 59.636 -0.170 1
1 840 . 17 1 1 A 65 65 LYS CB C 65 32.372 32.782 -0.410 1
1 844 . 17 1 1 A 65 65 LYS N N 65 118.452 118.583 -0.131 1
1 845 . 17 1 1 A 66 66 LEU H H 66 7.768 8.210 -0.442 1
1 846 . 17 1 1 A 66 66 LEU HA H 66 4.066 4.186 -0.120 1
1 856 . 17 1 1 A 66 66 LEU C C 66 177.557 178.467 -0.910 1
1 857 . 17 1 1 A 66 66 LEU CA C 66 57.550 57.291 0.259 1
1 858 . 17 1 1 A 66 66 LEU CB C 66 43.218 41.313 1.905 1
1 862 . 17 1 1 A 66 66 LEU N N 66 118.471 119.754 -1.283 1
1 863 . 17 1 1 A 67 67 ARG H H 67 8.017 8.083 -0.066 1
1 864 . 17 1 1 A 67 67 ARG HA H 67 3.855 4.136 -0.281 1
1 872 . 17 1 1 A 67 67 ARG C C 67 177.440 178.363 -0.923 1
1 873 . 17 1 1 A 67 67 ARG CA C 67 58.584 58.388 0.196 1
1 874 . 17 1 1 A 67 67 ARG CB C 67 30.313 30.072 0.241 1
1 877 . 17 1 1 A 67 67 ARG N N 67 115.702 120.247 -4.545 1
1 879 . 17 1 1 A 68 68 LYS H H 68 7.168 7.702 -0.534 1
1 880 . 17 1 1 A 68 68 LYS HA H 68 4.198 4.334 -0.136 1
1 889 . 17 1 1 A 68 68 LYS C C 68 176.502 177.161 -0.659 1
1 890 . 17 1 1 A 68 68 LYS CA C 68 56.149 57.378 -1.229 1
1 891 . 17 1 1 A 68 68 LYS CB C 68 32.725 32.901 -0.176 1
1 895 . 17 1 1 A 68 68 LYS N N 68 115.213 117.317 -2.104 1
1 896 . 17 1 1 A 69 69 VAL H H 69 7.348 7.328 0.020 1
1 897 . 17 1 1 A 69 69 VAL HA H 69 3.776 4.107 -0.331 1
1 905 . 17 1 1 A 69 69 VAL C C 69 175.916 177.697 -1.781 1
1 906 . 17 1 1 A 69 69 VAL CA C 69 63.134 63.322 -0.188 1
1 907 . 17 1 1 A 69 69 VAL CB C 69 31.075 31.851 -0.776 1
1 910 . 17 1 1 A 69 69 VAL N N 69 123.611 120.312 3.299 1
1 911 . 17 1 1 A 70 70 GLN H H 70 8.632 8.762 -0.130 1
1 912 . 17 1 1 A 70 70 GLN HA H 70 4.072 4.126 -0.054 1
1 919 . 17 1 1 A 70 70 GLN C C 70 176.151 177.944 -1.793 1
1 920 . 17 1 1 A 70 70 GLN CA C 70 57.800 58.181 -0.381 1
1 921 . 17 1 1 A 70 70 GLN CB C 70 28.100 28.196 -0.096 1
1 923 . 17 1 1 A 70 70 GLN N N 70 130.070 126.299 3.771 1
1 925 . 17 1 1 A 71 71 GLY H H 71 8.783 8.170 0.613 1
1 926 . 17 1 1 A 71 71 GLY HA2 H 71 4.598 4.069 0.529 1
1 927 . 17 1 1 A 71 71 GLY HA3 H 71 3.677 4.079 -0.402 1
1 928 . 17 1 1 A 71 71 GLY C C 71 173.924 174.352 -0.428 1
1 929 . 17 1 1 A 71 71 GLY CA C 71 44.941 45.764 -0.823 1
1 930 . 17 1 1 A 71 71 GLY N N 71 113.801 107.930 5.871 1
1 931 . 17 1 1 A 72 72 VAL H H 72 7.805 7.428 0.377 1
1 932 . 17 1 1 A 72 72 VAL HA H 72 3.723 3.778 -0.055 1
1 940 . 17 1 1 A 72 72 VAL C C 72 176.502 176.407 0.095 1
1 941 . 17 1 1 A 72 72 VAL CA C 72 64.020 62.699 1.321 1
1 942 . 17 1 1 A 72 72 VAL CB C 72 32.003 32.210 -0.207 1
1 945 . 17 1 1 A 72 72 VAL N N 72 120.334 120.507 -0.173 1
1 946 . 17 1 1 A 73 73 PHE H H 73 9.522 7.658 1.864 1
1 947 . 17 1 1 A 73 73 PHE HA H 73 5.109 4.858 0.251 1
1 955 . 17 1 1 A 73 73 PHE C C 73 176.502 174.596 1.906 1
1 956 . 17 1 1 A 73 73 PHE CA C 73 56.354 56.722 -0.368 1
1 957 . 17 1 1 A 73 73 PHE CB C 73 39.615 40.469 -0.854 1
1 961 . 17 1 1 A 73 73 PHE N N 73 127.542 122.261 5.281 1
1 962 . 17 1 1 A 74 74 THR H H 74 7.972 7.279 0.693 1
1 963 . 17 1 1 A 74 74 THR HA H 74 4.736 4.869 -0.133 1
1 968 . 17 1 1 A 74 74 THR C C 74 172.400 173.514 -1.114 1
1 969 . 17 1 1 A 74 74 THR CA C 74 60.604 60.608 -0.004 1
1 970 . 17 1 1 A 74 74 THR CB C 74 72.576 71.107 1.469 1
1 972 . 17 1 1 A 74 74 THR N N 74 111.809 110.306 1.503 1
1 973 . 17 1 1 A 75 75 VAL H H 75 8.584 8.961 -0.377 1
1 974 . 17 1 1 A 75 75 VAL HA H 75 4.878 4.818 0.060 1
1 982 . 17 1 1 A 75 75 VAL C C 75 174.510 175.087 -0.577 1
1 983 . 17 1 1 A 75 75 VAL CA C 75 61.844 61.617 0.227 1
1 984 . 17 1 1 A 75 75 VAL CB C 75 34.500 33.568 0.932 1
1 987 . 17 1 1 A 75 75 VAL N N 75 122.820 125.677 -2.857 1
1 988 . 17 1 1 A 76 76 GLU H H 76 9.029 8.500 0.529 1
1 989 . 17 1 1 A 76 76 GLU HA H 76 4.861 4.885 -0.024 1
1 994 . 17 1 1 A 76 76 GLU C C 76 174.510 174.474 0.036 1
1 995 . 17 1 1 A 76 76 GLU CA C 76 53.757 54.156 -0.399 1
1 996 . 17 1 1 A 76 76 GLU CB C 76 34.230 33.840 0.390 1
1 998 . 17 1 1 A 76 76 GLU N N 76 124.572 125.695 -1.123 1
1 999 . 17 1 1 A 77 77 ARG H H 77 8.962 8.475 0.487 1
1 1000 . 17 1 1 A 77 77 ARG HA H 77 4.736 4.742 -0.006 1
1 1008 . 17 1 1 A 77 77 ARG C C 77 176.502 175.519 0.983 1
1 1009 . 17 1 1 A 77 77 ARG CA C 77 55.521 55.996 -0.475 1
1 1010 . 17 1 1 A 77 77 ARG CB C 77 30.893 31.482 -0.589 1
1 1013 . 17 1 1 A 77 77 ARG N N 77 122.875 122.830 0.045 1
1 1015 . 17 1 1 A 78 78 LEU H H 78 8.252 9.233 -0.981 1
1 1016 . 17 1 1 A 78 78 LEU HA H 78 4.505 4.669 -0.164 1
1 1026 . 17 1 1 A 78 78 LEU C C 78 176.737 177.924 -1.187 1
1 1027 . 17 1 1 A 78 78 LEU CA C 78 53.875 53.990 -0.115 1
1 1028 . 17 1 1 A 78 78 LEU CB C 78 43.228 41.544 1.684 1
1 1032 . 17 1 1 A 78 78 LEU N N 78 127.062 126.678 0.384 1
1 1033 . 17 1 1 A 79 79 SER H H 79 8.635 8.894 -0.259 1
1 1034 . 17 1 1 A 79 79 SER HA H 79 4.492 4.397 0.095 1
1 1037 . 17 1 1 A 79 79 SER C C 79 174.041 174.307 -0.266 1
1 1038 . 17 1 1 A 79 79 SER CA C 79 58.465 60.825 -2.360 1
1 1039 . 17 1 1 A 79 79 SER CB C 79 63.993 63.139 0.854 1
1 1040 . 17 1 1 A 79 79 SER N N 79 118.446 119.632 -1.186 1
1 1041 . 17 1 1 A 80 80 ASN H H 80 8.421 7.836 0.585 1
1 1042 . 17 1 1 A 80 80 ASN HA H 80 4.668 4.738 -0.070 1
1 1047 . 17 1 1 A 80 80 ASN C C 80 175.096 173.793 1.303 1
1 1048 . 17 1 1 A 80 80 ASN CA C 80 53.300 53.209 0.091 1
1 1049 . 17 1 1 A 80 80 ASN CB C 80 38.300 38.575 -0.275 1
1 1050 . 17 1 1 A 80 80 ASN N N 80 119.339 119.746 -0.407 1
1 1052 . 17 1 1 A 81 81 LEU H H 81 8.256 9.137 -0.881 1
1 1053 . 17 1 1 A 81 81 LEU HA H 81 4.258 4.936 -0.678 1
1 1063 . 17 1 1 A 81 81 LEU C C 81 177.323 177.762 -0.439 1
1 1064 . 17 1 1 A 81 81 LEU CA C 81 55.263 53.659 1.604 1
1 1065 . 17 1 1 A 81 81 LEU CB C 81 41.756 43.705 -1.949 1
1 1069 . 17 1 1 A 81 81 LEU N N 81 121.238 128.001 -6.763 1
1 1070 . 17 1 1 A 82 82 GLU H H 82 8.282 8.804 -0.522 1
1 1071 . 17 1 1 A 82 82 GLU HA H 82 4.169 4.546 -0.377 1
1 1076 . 17 1 1 A 82 82 GLU C C 82 176.385 176.586 -0.201 1
1 1077 . 17 1 1 A 82 82 GLU CA C 82 56.762 56.077 0.685 1
1 1078 . 17 1 1 A 82 82 GLU CB C 82 29.997 29.034 0.963 1
1 1080 . 17 1 1 A 82 82 GLU N N 82 120.037 121.183 -1.146 1
1 1081 . 17 1 1 A 83 83 HIS H H 83 8.195 8.111 0.084 1
1 1082 . 17 1 1 A 83 83 HIS HA H 83 4.535 4.387 0.148 1
1 1087 . 17 1 1 A 83 83 HIS C C 83 175.081 173.909 1.172 1
1 1088 . 17 1 1 A 83 83 HIS CA C 83 55.951 54.373 1.578 1
1 1089 . 17 1 1 A 83 83 HIS CB C 83 30.366 27.235 3.131 1
1 1 . 18 1 1 A 2 2 THR HA H 2 3.782 4.781 -0.999 1
1 6 . 18 1 1 A 2 2 THR C C 2 171.502 174.538 -3.036 1
1 7 . 18 1 1 A 2 2 THR CA C 2 61.906 61.475 0.431 1
1 8 . 18 1 1 A 2 2 THR CB C 2 69.449 69.682 -0.233 1
1 10 . 18 1 1 A 3 3 ASP H H 3 8.636 7.830 0.806 1
1 11 . 18 1 1 A 3 3 ASP HA H 3 4.803 4.785 0.018 1
1 14 . 18 1 1 A 3 3 ASP C C 3 175.330 176.367 -1.037 1
1 15 . 18 1 1 A 3 3 ASP CA C 3 54.454 54.993 -0.539 1
1 16 . 18 1 1 A 3 3 ASP CB C 3 41.426 41.057 0.369 1
1 17 . 18 1 1 A 3 3 ASP N N 3 125.850 123.301 2.549 1
1 18 . 18 1 1 A 4 4 PHE H H 4 8.608 8.785 -0.177 1
1 19 . 18 1 1 A 4 4 PHE HA H 4 5.042 5.809 -0.767 1
1 27 . 18 1 1 A 4 4 PHE C C 4 172.986 173.322 -0.336 1
1 28 . 18 1 1 A 4 4 PHE CA C 4 55.505 54.959 0.546 1
1 29 . 18 1 1 A 4 4 PHE CB C 4 41.288 42.191 -0.903 1
1 33 . 18 1 1 A 4 4 PHE N N 4 117.566 121.039 -3.473 1
1 34 . 18 1 1 A 5 5 LEU H H 5 8.498 8.510 -0.012 1
1 35 . 18 1 1 A 5 5 LEU HA H 5 4.532 3.860 0.672 1
1 45 . 18 1 1 A 5 5 LEU C C 5 175.330 174.516 0.814 1
1 46 . 18 1 1 A 5 5 LEU CA C 5 54.222 53.899 0.323 1
1 47 . 18 1 1 A 5 5 LEU CB C 5 42.932 42.450 0.482 1
1 51 . 18 1 1 A 5 5 LEU N N 5 123.329 122.285 1.044 1
1 52 . 18 1 1 A 6 6 ALA H H 6 9.325 8.939 0.386 1
1 53 . 18 1 1 A 6 6 ALA HA H 6 4.769 5.282 -0.513 1
1 57 . 18 1 1 A 6 6 ALA C C 6 174.744 176.918 -2.174 1
1 58 . 18 1 1 A 6 6 ALA CA C 6 50.500 50.665 -0.165 1
1 59 . 18 1 1 A 6 6 ALA CB C 6 23.746 20.718 3.028 1
1 60 . 18 1 1 A 6 6 ALA N N 6 129.530 130.613 -1.083 1
1 61 . 18 1 1 A 7 7 GLY H H 7 8.639 8.901 -0.262 1
1 62 . 18 1 1 A 7 7 GLY HA2 H 7 5.721 4.239 1.482 1
1 63 . 18 1 1 A 7 7 GLY HA3 H 7 3.508 4.245 -0.737 1
1 64 . 18 1 1 A 7 7 GLY C C 7 173.221 171.892 1.329 1
1 65 . 18 1 1 A 7 7 GLY CA C 7 45.351 44.296 1.055 1
1 66 . 18 1 1 A 7 7 GLY N N 7 106.888 110.757 -3.869 1
1 67 . 18 1 1 A 8 8 ILE H H 8 9.356 9.187 0.169 1
1 68 . 18 1 1 A 8 8 ILE HA H 8 4.957 5.091 -0.134 1
1 78 . 18 1 1 A 8 8 ILE C C 8 172.986 174.170 -1.184 1
1 79 . 18 1 1 A 8 8 ILE CA C 8 59.551 59.555 -0.004 1
1 80 . 18 1 1 A 8 8 ILE CB C 8 43.405 41.508 1.897 1
1 84 . 18 1 1 A 8 8 ILE N N 8 122.820 124.498 -1.678 1
1 85 . 18 1 1 A 9 9 ARG H H 9 9.364 9.176 0.188 1
1 86 . 18 1 1 A 9 9 ARG HA H 9 5.609 5.323 0.286 1
1 94 . 18 1 1 A 9 9 ARG C C 9 175.096 174.491 0.605 1
1 95 . 18 1 1 A 9 9 ARG CA C 9 54.192 54.518 -0.326 1
1 96 . 18 1 1 A 9 9 ARG CB C 9 33.400 33.795 -0.395 1
1 99 . 18 1 1 A 9 9 ARG N N 9 126.323 126.111 0.212 1
1 101 . 18 1 1 A 10 10 ILE H H 10 9.479 9.294 0.185 1
1 102 . 18 1 1 A 10 10 ILE HA H 10 5.089 5.018 0.071 1
1 112 . 18 1 1 A 10 10 ILE C C 10 174.275 174.537 -0.262 1
1 113 . 18 1 1 A 10 10 ILE CA C 10 60.127 59.956 0.171 1
1 114 . 18 1 1 A 10 10 ILE CB C 10 42.651 40.297 2.354 1
1 118 . 18 1 1 A 10 10 ILE N N 10 128.583 126.798 1.785 1
1 119 . 18 1 1 A 11 11 VAL H H 11 8.581 8.800 -0.219 1
1 120 . 18 1 1 A 11 11 VAL HA H 11 4.793 4.903 -0.110 1
1 128 . 18 1 1 A 11 11 VAL C C 11 175.827 174.661 1.166 1
1 129 . 18 1 1 A 11 11 VAL CA C 11 60.201 60.376 -0.175 1
1 130 . 18 1 1 A 11 11 VAL CB C 11 34.522 33.365 1.157 1
1 133 . 18 1 1 A 11 11 VAL N N 11 126.323 128.187 -1.864 1
1 134 . 18 1 1 A 12 12 GLY H H 12 7.713 7.352 0.361 1
1 135 . 18 1 1 A 12 12 GLY HA2 H 12 3.434 3.093 0.341 1
1 136 . 18 1 1 A 12 12 GLY HA3 H 12 3.563 3.769 -0.206 1
1 137 . 18 1 1 A 12 12 GLY C C 12 170.332 172.667 -2.335 1
1 138 . 18 1 1 A 12 12 GLY CA C 12 45.842 43.738 2.104 1
1 139 . 18 1 1 A 12 12 GLY N N 12 113.216 113.767 -0.551 1
1 140 . 18 1 1 A 13 13 GLU H H 13 8.180 8.310 -0.130 1
1 141 . 18 1 1 A 13 13 GLU HA H 13 4.387 4.401 -0.014 1
1 146 . 18 1 1 A 13 13 GLU C C 13 175.409 175.662 -0.253 1
1 147 . 18 1 1 A 13 13 GLU CA C 13 55.865 56.673 -0.808 1
1 148 . 18 1 1 A 13 13 GLU CB C 13 31.102 30.166 0.936 1
1 150 . 18 1 1 A 13 13 GLU N N 13 119.035 118.265 0.770 1
1 151 . 18 1 1 A 14 14 ASP H H 14 8.095 8.868 -0.773 1
1 152 . 18 1 1 A 14 14 ASP HA H 14 4.888 5.000 -0.112 1
1 155 . 18 1 1 A 14 14 ASP C C 14 174.991 174.909 0.082 1
1 156 . 18 1 1 A 14 14 ASP CA C 14 52.473 53.988 -1.515 1
1 157 . 18 1 1 A 14 14 ASP CB C 14 40.364 41.424 -1.060 1
1 158 . 18 1 1 A 14 14 ASP N N 14 122.877 124.225 -1.348 1
1 159 . 18 1 1 A 15 15 LYS H H 15 7.345 8.697 -1.352 1
1 160 . 18 1 1 A 15 15 LYS HA H 15 4.550 4.732 -0.182 1
1 169 . 18 1 1 A 15 15 LYS C C 15 176.385 176.436 -0.051 1
1 170 . 18 1 1 A 15 15 LYS CA C 15 54.554 54.743 -0.189 1
1 171 . 18 1 1 A 15 15 LYS CB C 15 35.403 35.037 0.366 1
1 175 . 18 1 1 A 15 15 LYS N N 15 120.221 126.266 -6.045 1
1 176 . 18 1 1 A 16 16 ASN H H 16 9.025 9.068 -0.043 1
1 177 . 18 1 1 A 16 16 ASN HA H 16 4.386 4.318 0.068 1
1 182 . 18 1 1 A 16 16 ASN C C 16 175.916 175.239 0.677 1
1 183 . 18 1 1 A 16 16 ASN CA C 16 54.966 55.557 -0.591 1
1 184 . 18 1 1 A 16 16 ASN CB C 16 37.810 37.065 0.745 1
1 185 . 18 1 1 A 16 16 ASN N N 16 119.785 119.034 0.751 1
1 187 . 18 1 1 A 17 17 GLY H H 17 8.780 8.809 -0.029 1
1 188 . 18 1 1 A 17 17 GLY HA2 H 17 4.125 4.143 -0.018 1
1 189 . 18 1 1 A 17 17 GLY HA3 H 17 3.970 4.159 -0.189 1
1 190 . 18 1 1 A 17 17 GLY C C 17 176.151 175.173 0.978 1
1 191 . 18 1 1 A 17 17 GLY CA C 17 45.996 45.572 0.424 1
1 192 . 18 1 1 A 17 17 GLY N N 17 110.504 106.933 3.571 1
1 193 . 18 1 1 A 18 18 MET H H 18 7.989 8.097 -0.108 1
1 194 . 18 1 1 A 18 18 MET HA H 18 4.359 4.058 0.301 1
1 202 . 18 1 1 A 18 18 MET C C 18 178.589 178.126 0.463 1
1 203 . 18 1 1 A 18 18 MET CA C 18 57.405 58.607 -1.202 1
1 204 . 18 1 1 A 18 18 MET CB C 18 31.847 32.474 -0.627 1
1 207 . 18 1 1 A 18 18 MET N N 18 121.860 119.730 2.130 1
1 208 . 18 1 1 A 19 19 THR H H 19 8.807 8.038 0.769 1
1 209 . 18 1 1 A 19 19 THR HA H 19 3.233 3.262 -0.029 1
1 215 . 18 1 1 A 19 19 THR C C 19 177.909 176.894 1.015 1
1 216 . 18 1 1 A 19 19 THR CA C 19 65.516 65.741 -0.225 1
1 217 . 18 1 1 A 19 19 THR CB C 19 67.000 68.123 -1.123 1
1 219 . 18 1 1 A 19 19 THR N N 19 111.351 112.299 -0.948 1
1 220 . 18 1 1 A 20 20 ASN H H 20 7.936 7.985 -0.049 1
1 221 . 18 1 1 A 20 20 ASN HA H 20 4.083 4.437 -0.354 1
1 226 . 18 1 1 A 20 20 ASN C C 20 176.854 177.696 -0.842 1
1 227 . 18 1 1 A 20 20 ASN CA C 20 57.669 55.914 1.755 1
1 228 . 18 1 1 A 20 20 ASN CB C 20 36.625 38.209 -1.584 1
1 229 . 18 1 1 A 20 20 ASN N N 20 121.577 120.599 0.978 1
1 231 . 18 1 1 A 21 21 GLN H H 21 8.433 8.368 0.065 1
1 232 . 18 1 1 A 21 21 GLN HA H 21 4.046 4.009 0.037 1
1 239 . 18 1 1 A 21 21 GLN C C 21 179.550 178.271 1.279 1
1 240 . 18 1 1 A 21 21 GLN CA C 21 59.187 58.508 0.679 1
1 241 . 18 1 1 A 21 21 GLN CB C 21 28.512 27.760 0.752 1
1 243 . 18 1 1 A 21 21 GLN N N 21 120.250 117.564 2.686 1
1 245 . 18 1 1 A 22 22 ILE H H 22 8.779 7.956 0.823 1
1 246 . 18 1 1 A 22 22 ILE HA H 22 3.823 3.619 0.204 1
1 256 . 18 1 1 A 22 22 ILE C C 22 176.854 177.777 -0.923 1
1 257 . 18 1 1 A 22 22 ILE CA C 22 61.611 65.397 -3.786 1
1 258 . 18 1 1 A 22 22 ILE CB C 22 36.935 37.866 -0.931 1
1 262 . 18 1 1 A 22 22 ILE N N 22 119.497 121.399 -1.902 1
1 263 . 18 1 1 A 23 23 THR H H 23 7.478 7.786 -0.308 1
1 264 . 18 1 1 A 23 23 THR HA H 23 3.523 3.919 -0.396 1
1 270 . 18 1 1 A 23 23 THR C C 23 176.502 176.777 -0.275 1
1 271 . 18 1 1 A 23 23 THR CA C 23 67.006 66.354 0.652 1
1 272 . 18 1 1 A 23 23 THR CB C 23 67.305 68.345 -1.040 1
1 274 . 18 1 1 A 23 23 THR N N 23 115.702 116.086 -0.384 1
1 275 . 18 1 1 A 24 24 GLY H H 24 8.011 8.335 -0.324 1
1 276 . 18 1 1 A 24 24 GLY HA2 H 24 3.880 3.653 0.227 1
1 277 . 18 1 1 A 24 24 GLY HA3 H 24 3.672 3.660 0.012 1
1 278 . 18 1 1 A 24 24 GLY C C 24 176.385 175.877 0.508 1
1 279 . 18 1 1 A 24 24 GLY CA C 24 47.163 47.261 -0.098 1
1 280 . 18 1 1 A 24 24 GLY N N 24 110.691 107.902 2.789 1
1 281 . 18 1 1 A 25 25 VAL H H 25 7.898 8.190 -0.292 1
1 282 . 18 1 1 A 25 25 VAL HA H 25 3.473 3.626 -0.153 1
1 290 . 18 1 1 A 25 25 VAL C C 25 178.286 177.435 0.851 1
1 291 . 18 1 1 A 25 25 VAL CA C 25 66.432 65.783 0.649 1
1 292 . 18 1 1 A 25 25 VAL CB C 25 31.925 31.694 0.231 1
1 295 . 18 1 1 A 25 25 VAL N N 25 123.276 121.691 1.585 1
1 296 . 18 1 1 A 26 26 ILE H H 26 7.646 7.899 -0.253 1
1 297 . 18 1 1 A 26 26 ILE HA H 26 2.698 2.334 0.364 1
1 307 . 18 1 1 A 26 26 ILE C C 26 177.440 177.927 -0.487 1
1 308 . 18 1 1 A 26 26 ILE CA C 26 64.163 64.681 -0.518 1
1 309 . 18 1 1 A 26 26 ILE CB C 26 37.876 37.530 0.346 1
1 313 . 18 1 1 A 26 26 ILE N N 26 116.606 120.403 -3.797 1
1 314 . 18 1 1 A 27 27 SER H H 27 7.783 7.854 -0.071 1
1 315 . 18 1 1 A 27 27 SER HA H 27 3.908 4.170 -0.262 1
1 319 . 18 1 1 A 27 27 SER C C 27 175.330 175.628 -0.298 1
1 320 . 18 1 1 A 27 27 SER CA C 27 61.465 61.001 0.464 1
1 321 . 18 1 1 A 27 27 SER CB C 27 63.388 62.757 0.631 1
1 322 . 18 1 1 A 27 27 SER N N 27 112.932 115.395 -2.463 1
1 323 . 18 1 1 A 28 28 LYS H H 28 7.008 7.494 -0.486 1
1 324 . 18 1 1 A 28 28 LYS HA H 28 4.234 4.249 -0.015 1
1 333 . 18 1 1 A 28 28 LYS C C 28 177.323 177.117 0.206 1
1 334 . 18 1 1 A 28 28 LYS CA C 28 56.161 56.811 -0.650 1
1 335 . 18 1 1 A 28 28 LYS CB C 28 32.742 32.445 0.297 1
1 339 . 18 1 1 A 28 28 LYS N N 28 118.978 119.181 -0.203 1
1 340 . 18 1 1 A 29 29 PHE H H 29 7.691 7.089 0.602 1
1 341 . 18 1 1 A 29 29 PHE HA H 29 4.576 4.483 0.093 1
1 349 . 18 1 1 A 29 29 PHE C C 29 175.841 176.767 -0.926 1
1 350 . 18 1 1 A 29 29 PHE CA C 29 56.366 58.388 -2.022 1
1 351 . 18 1 1 A 29 29 PHE CB C 29 38.723 40.151 -1.428 1
1 355 . 18 1 1 A 29 29 PHE N N 29 120.755 119.924 0.831 1
1 356 . 18 1 1 A 30 30 ASP H H 30 8.388 8.955 -0.567 1
1 357 . 18 1 1 A 30 30 ASP HA H 30 4.650 4.532 0.118 1
1 360 . 18 1 1 A 30 30 ASP C C 30 175.096 176.156 -1.060 1
1 361 . 18 1 1 A 30 30 ASP CA C 30 53.331 56.145 -2.814 1
1 362 . 18 1 1 A 30 30 ASP CB C 30 38.691 41.073 -2.382 1
1 363 . 18 1 1 A 30 30 ASP N N 30 122.230 120.862 1.368 1
1 364 . 18 1 1 A 31 31 THR H H 31 7.663 7.627 0.036 1
1 365 . 18 1 1 A 31 31 THR HA H 31 4.558 4.331 0.227 1
1 370 . 18 1 1 A 31 31 THR C C 31 173.297 174.133 -0.836 1
1 371 . 18 1 1 A 31 31 THR CA C 31 59.333 62.065 -2.732 1
1 372 . 18 1 1 A 31 31 THR CB C 31 70.319 69.934 0.385 1
1 374 . 18 1 1 A 31 31 THR N N 31 112.538 115.844 -3.306 1
1 375 . 18 1 1 A 32 32 ASN H H 32 8.308 8.686 -0.378 1
1 376 . 18 1 1 A 32 32 ASN HA H 32 4.910 5.116 -0.206 1
1 381 . 18 1 1 A 32 32 ASN C C 32 175.447 175.478 -0.031 1
1 382 . 18 1 1 A 32 32 ASN CA C 32 52.732 52.336 0.396 1
1 383 . 18 1 1 A 32 32 ASN CB C 32 39.337 41.126 -1.789 1
1 384 . 18 1 1 A 32 32 ASN N N 32 121.973 122.739 -0.766 1
1 386 . 18 1 1 A 33 33 ILE H H 33 8.320 9.003 -0.683 1
1 387 . 18 1 1 A 33 33 ILE HA H 33 3.846 4.138 -0.292 1
1 397 . 18 1 1 A 33 33 ILE C C 33 175.230 175.909 -0.679 1
1 398 . 18 1 1 A 33 33 ILE CA C 33 63.300 62.246 1.054 1
1 399 . 18 1 1 A 33 33 ILE CB C 33 39.167 37.952 1.215 1
1 403 . 18 1 1 A 33 33 ILE N N 33 125.984 124.096 1.888 1
1 404 . 18 1 1 A 34 34 ARG H H 34 8.858 9.244 -0.386 1
1 405 . 18 1 1 A 34 34 ARG HA H 34 4.538 4.752 -0.214 1
1 413 . 18 1 1 A 34 34 ARG C C 34 175.565 176.471 -0.906 1
1 414 . 18 1 1 A 34 34 ARG CA C 34 54.900 56.927 -2.027 1
1 415 . 18 1 1 A 34 34 ARG CB C 34 30.275 32.780 -2.505 1
1 418 . 18 1 1 A 34 34 ARG N N 34 126.537 126.876 -0.339 1
1 420 . 18 1 1 A 35 35 THR H H 35 7.698 7.493 0.205 1
1 421 . 18 1 1 A 35 35 THR HA H 35 5.311 5.005 0.306 1
1 426 . 18 1 1 A 35 35 THR C C 35 173.807 172.158 1.649 1
1 427 . 18 1 1 A 35 35 THR CA C 35 61.040 61.158 -0.118 1
1 428 . 18 1 1 A 35 35 THR CB C 35 74.055 72.523 1.532 1
1 430 . 18 1 1 A 35 35 THR N N 35 111.895 111.914 -0.019 1
1 431 . 18 1 1 A 36 36 ILE H H 36 8.907 9.095 -0.188 1
1 432 . 18 1 1 A 36 36 ILE HA H 36 4.753 5.270 -0.517 1
1 442 . 18 1 1 A 36 36 ILE C C 36 174.275 173.547 0.728 1
1 443 . 18 1 1 A 36 36 ILE CA C 36 61.400 59.610 1.790 1
1 444 . 18 1 1 A 36 36 ILE CB C 36 42.569 41.564 1.005 1
1 448 . 18 1 1 A 36 36 ILE N N 36 123.257 127.820 -4.563 1
1 449 . 18 1 1 A 37 37 VAL H H 37 8.933 8.800 0.133 1
1 450 . 18 1 1 A 37 37 VAL HA H 37 4.903 5.066 -0.163 1
1 458 . 18 1 1 A 37 37 VAL C C 37 174.684 174.395 0.289 1
1 459 . 18 1 1 A 37 37 VAL CA C 37 62.100 61.031 1.069 1
1 460 . 18 1 1 A 37 37 VAL CB C 37 34.186 34.620 -0.434 1
1 463 . 18 1 1 A 37 37 VAL N N 37 126.323 128.650 -2.327 1
1 464 . 18 1 1 A 38 38 LEU H H 38 9.751 9.049 0.702 1
1 465 . 18 1 1 A 38 38 LEU HA H 38 5.636 5.323 0.313 1
1 475 . 18 1 1 A 38 38 LEU C C 38 174.510 174.904 -0.394 1
1 476 . 18 1 1 A 38 38 LEU CA C 38 53.810 53.804 0.006 1
1 477 . 18 1 1 A 38 38 LEU CB C 38 45.655 46.371 -0.716 1
1 481 . 18 1 1 A 38 38 LEU N N 38 133.332 130.267 3.065 1
1 482 . 18 1 1 A 39 39 ASN H H 39 8.952 9.094 -0.142 1
1 483 . 18 1 1 A 39 39 ASN HA H 39 5.450 5.481 -0.031 1
1 488 . 18 1 1 A 39 39 ASN C C 39 172.869 173.419 -0.550 1
1 489 . 18 1 1 A 39 39 ASN CA C 39 53.137 51.700 1.437 1
1 490 . 18 1 1 A 39 39 ASN CB C 39 43.287 42.469 0.818 1
1 491 . 18 1 1 A 39 39 ASN N N 39 123.262 123.100 0.162 1
1 493 . 18 1 1 A 40 40 ALA H H 40 8.467 8.948 -0.481 1
1 494 . 18 1 1 A 40 40 ALA HA H 40 5.345 5.594 -0.249 1
1 498 . 18 1 1 A 40 40 ALA C C 40 175.447 176.837 -1.390 1
1 499 . 18 1 1 A 40 40 ALA CA C 40 51.370 50.736 0.634 1
1 500 . 18 1 1 A 40 40 ALA CB C 40 20.975 20.687 0.288 1
1 501 . 18 1 1 A 40 40 ALA N N 40 127.058 126.035 1.023 1
1 502 . 18 1 1 A 41 41 LYS H H 41 8.865 8.964 -0.099 1
1 503 . 18 1 1 A 41 41 LYS HA H 41 4.435 4.874 -0.439 1
1 512 . 18 1 1 A 41 41 LYS C C 41 175.565 174.952 0.613 1
1 513 . 18 1 1 A 41 41 LYS CA C 41 56.736 54.645 2.091 1
1 514 . 18 1 1 A 41 41 LYS CB C 41 34.811 36.012 -1.201 1
1 518 . 18 1 1 A 41 41 LYS N N 41 121.996 120.641 1.355 1
1 519 . 18 1 1 A 42 42 ASP H H 42 9.197 9.381 -0.184 1
1 520 . 18 1 1 A 42 42 ASP HA H 42 4.373 4.399 -0.026 1
1 523 . 18 1 1 A 42 42 ASP C C 42 175.447 176.255 -0.808 1
1 524 . 18 1 1 A 42 42 ASP CA C 42 55.547 55.371 0.176 1
1 525 . 18 1 1 A 42 42 ASP CB C 42 39.485 39.405 0.080 1
1 526 . 18 1 1 A 42 42 ASP N N 42 122.213 120.887 1.326 1
1 527 . 18 1 1 A 43 43 GLY H H 43 9.306 8.664 0.642 1
1 528 . 18 1 1 A 43 43 GLY HA2 H 43 4.443 3.870 0.573 1
1 529 . 18 1 1 A 43 43 GLY HA3 H 43 3.816 3.877 -0.061 1
1 530 . 18 1 1 A 43 43 GLY C C 43 174.979 173.986 0.993 1
1 531 . 18 1 1 A 43 43 GLY CA C 43 45.661 45.524 0.137 1
1 532 . 18 1 1 A 43 43 GLY N N 43 104.610 104.564 0.046 1
1 533 . 18 1 1 A 44 44 ILE H H 44 8.117 7.995 0.122 1
1 534 . 18 1 1 A 44 44 ILE HA H 44 5.112 4.766 0.346 1
1 544 . 18 1 1 A 44 44 ILE C C 44 175.213 174.992 0.221 1
1 545 . 18 1 1 A 44 44 ILE CA C 44 59.040 59.292 -0.252 1
1 546 . 18 1 1 A 44 44 ILE CB C 44 42.013 41.395 0.618 1
1 550 . 18 1 1 A 44 44 ILE N N 44 122.284 121.462 0.822 1
1 551 . 18 1 1 A 45 45 PHE H H 45 8.955 8.510 0.445 1
1 552 . 18 1 1 A 45 45 PHE HA H 45 5.740 6.067 -0.327 1
1 560 . 18 1 1 A 45 45 PHE C C 45 172.283 173.480 -1.197 1
1 561 . 18 1 1 A 45 45 PHE CA C 45 55.872 54.828 1.044 1
1 562 . 18 1 1 A 45 45 PHE CB C 45 42.740 42.530 0.210 1
1 566 . 18 1 1 A 45 45 PHE N N 45 121.747 122.235 -0.488 1
1 567 . 18 1 1 A 46 46 THR H H 46 8.659 8.841 -0.182 1
1 568 . 18 1 1 A 46 46 THR HA H 46 5.111 5.184 -0.073 1
1 574 . 18 1 1 A 46 46 THR C C 46 174.041 172.487 1.554 1
1 575 . 18 1 1 A 46 46 THR CA C 46 59.750 60.091 -0.341 1
1 576 . 18 1 1 A 46 46 THR CB C 46 71.380 70.490 0.890 1
1 578 . 18 1 1 A 46 46 THR N N 46 113.420 116.934 -3.514 1
1 579 . 18 1 1 A 47 47 CYS H H 47 9.619 9.594 0.025 1
1 580 . 18 1 1 A 47 47 CYS HA H 47 5.562 5.533 0.029 1
1 584 . 18 1 1 A 47 47 CYS C C 47 172.283 173.201 -0.918 1
1 585 . 18 1 1 A 47 47 CYS CA C 47 56.776 57.484 -0.708 1
1 586 . 18 1 1 A 47 47 CYS CB C 47 29.112 29.322 -0.210 1
1 587 . 18 1 1 A 47 47 CYS N N 47 124.781 129.715 -4.934 1
1 588 . 18 1 1 A 48 48 ASN H H 48 9.293 9.660 -0.367 1
1 589 . 18 1 1 A 48 48 ASN HA H 48 5.629 5.368 0.261 1
1 594 . 18 1 1 A 48 48 ASN C C 48 173.455 173.876 -0.421 1
1 595 . 18 1 1 A 48 48 ASN CA C 48 51.962 52.488 -0.526 1
1 596 . 18 1 1 A 48 48 ASN CB C 48 40.059 39.361 0.698 1
1 597 . 18 1 1 A 48 48 ASN N N 48 129.520 125.533 3.987 1
1 599 . 18 1 1 A 49 49 LEU H H 49 9.435 9.138 0.297 1
1 600 . 18 1 1 A 49 49 LEU HA H 49 5.158 4.993 0.165 1
1 610 . 18 1 1 A 49 49 LEU C C 49 174.510 174.607 -0.097 1
1 611 . 18 1 1 A 49 49 LEU CA C 49 53.178 53.676 -0.498 1
1 612 . 18 1 1 A 49 49 LEU CB C 49 46.402 44.467 1.935 1
1 616 . 18 1 1 A 49 49 LEU N N 49 125.541 127.057 -1.516 1
1 617 . 18 1 1 A 50 50 MET H H 50 8.978 9.029 -0.051 1
1 618 . 18 1 1 A 50 50 MET HA H 50 5.723 5.452 0.271 1
1 626 . 18 1 1 A 50 50 MET C C 50 175.682 174.977 0.705 1
1 627 . 18 1 1 A 50 50 MET CA C 50 54.073 54.232 -0.159 1
1 628 . 18 1 1 A 50 50 MET CB C 50 33.643 35.194 -1.551 1
1 631 . 18 1 1 A 50 50 MET N N 50 123.131 125.348 -2.217 1
1 632 . 18 1 1 A 51 51 ILE H H 51 9.056 8.839 0.217 1
1 633 . 18 1 1 A 51 51 ILE HA H 51 5.044 5.177 -0.133 1
1 643 . 18 1 1 A 51 51 ILE C C 51 173.689 174.277 -0.588 1
1 644 . 18 1 1 A 51 51 ILE CA C 51 58.495 58.819 -0.324 1
1 645 . 18 1 1 A 51 51 ILE CB C 51 41.447 42.408 -0.961 1
1 649 . 18 1 1 A 51 51 ILE N N 51 118.753 118.124 0.629 1
1 650 . 18 1 1 A 52 52 PHE H H 52 8.324 8.871 -0.547 1
1 651 . 18 1 1 A 52 52 PHE HA H 52 5.345 5.305 0.040 1
1 659 . 18 1 1 A 52 52 PHE C C 52 176.084 175.403 0.681 1
1 660 . 18 1 1 A 52 52 PHE CA C 52 56.478 57.093 -0.615 1
1 661 . 18 1 1 A 52 52 PHE CB C 52 40.520 41.047 -0.527 1
1 665 . 18 1 1 A 52 52 PHE N N 52 120.910 120.555 0.355 1
1 666 . 18 1 1 A 53 53 VAL H H 53 8.865 8.241 0.624 1
1 667 . 18 1 1 A 53 53 VAL HA H 53 4.663 4.619 0.044 1
1 675 . 18 1 1 A 53 53 VAL C C 53 174.812 175.664 -0.852 1
1 676 . 18 1 1 A 53 53 VAL CA C 53 58.881 59.298 -0.417 1
1 677 . 18 1 1 A 53 53 VAL CB C 53 35.707 35.020 0.687 1
1 680 . 18 1 1 A 53 53 VAL N N 53 118.244 115.352 2.892 1
1 681 . 18 1 1 A 54 54 LYS H H 54 8.335 8.644 -0.309 1
1 682 . 18 1 1 A 54 54 LYS HA H 54 4.324 4.168 0.156 1
1 691 . 18 1 1 A 54 54 LYS C C 54 176.655 176.278 0.377 1
1 692 . 18 1 1 A 54 54 LYS CA C 54 58.039 57.962 0.077 1
1 693 . 18 1 1 A 54 54 LYS CB C 54 33.974 32.240 1.734 1
1 697 . 18 1 1 A 54 54 LYS N N 54 120.334 122.049 -1.715 1
1 698 . 18 1 1 A 55 55 ASN H H 55 7.235 7.492 -0.257 1
1 699 . 18 1 1 A 55 55 ASN HA H 55 4.888 5.247 -0.359 1
1 704 . 18 1 1 A 55 55 ASN C C 55 175.083 175.435 -0.352 1
1 705 . 18 1 1 A 55 55 ASN CA C 55 52.173 52.046 0.127 1
1 706 . 18 1 1 A 55 55 ASN CB C 55 39.333 41.103 -1.770 1
1 707 . 18 1 1 A 55 55 ASN N N 55 108.018 115.081 -7.063 1
1 709 . 18 1 1 A 56 56 THR H H 56 8.865 8.795 0.070 1
1 710 . 18 1 1 A 56 56 THR HA H 56 4.036 4.297 -0.261 1
1 715 . 18 1 1 A 56 56 THR C C 56 178.637 176.007 2.630 1
1 716 . 18 1 1 A 56 56 THR CA C 56 65.800 65.404 0.396 1
1 717 . 18 1 1 A 56 56 THR CB C 56 68.341 68.494 -0.153 1
1 719 . 18 1 1 A 56 56 THR N N 56 113.338 114.166 -0.828 1
1 720 . 18 1 1 A 57 57 ASP H H 57 8.384 8.247 0.137 1
1 721 . 18 1 1 A 57 57 ASP HA H 57 4.467 4.360 0.107 1
1 724 . 18 1 1 A 57 57 ASP CA C 57 57.400 57.417 -0.017 1
1 725 . 18 1 1 A 57 57 ASP CB C 57 39.938 40.167 -0.229 1
1 726 . 18 1 1 A 57 57 ASP N N 57 124.402 122.404 1.998 1
1 727 . 18 1 1 A 58 58 LYS H H 58 8.266 7.949 0.317 1
1 728 . 18 1 1 A 58 58 LYS HA H 58 4.172 4.013 0.159 1
1 740 . 18 1 1 A 58 58 LYS C C 58 178.378 178.588 -0.210 1
1 741 . 18 1 1 A 58 58 LYS CA C 58 57.695 58.772 -1.077 1
1 742 . 18 1 1 A 58 58 LYS CB C 58 31.763 32.142 -0.379 1
1 746 . 18 1 1 A 58 58 LYS N N 58 120.194 120.960 -0.766 1
1 747 . 18 1 1 A 59 59 LEU H H 59 7.302 7.146 0.156 1
1 748 . 18 1 1 A 59 59 LEU HA H 59 3.907 3.977 -0.070 1
1 758 . 18 1 1 A 59 59 LEU C C 59 177.909 178.513 -0.604 1
1 759 . 18 1 1 A 59 59 LEU CA C 59 57.979 57.952 0.027 1
1 760 . 18 1 1 A 59 59 LEU CB C 59 41.727 41.875 -0.148 1
1 764 . 18 1 1 A 59 59 LEU N N 59 118.583 120.758 -2.175 1
1 765 . 18 1 1 A 60 60 THR H H 60 8.500 8.093 0.407 1
1 766 . 18 1 1 A 60 60 THR HA H 60 3.845 4.098 -0.253 1
1 771 . 18 1 1 A 60 60 THR C C 60 176.502 177.177 -0.675 1
1 772 . 18 1 1 A 60 60 THR CA C 60 66.691 65.829 0.862 1
1 773 . 18 1 1 A 60 60 THR CB C 60 68.390 68.136 0.254 1
1 775 . 18 1 1 A 60 60 THR N N 60 115.462 111.960 3.502 1
1 776 . 18 1 1 A 61 61 THR H H 61 7.996 7.932 0.064 1
1 777 . 18 1 1 A 61 61 THR HA H 61 4.053 3.969 0.084 1
1 782 . 18 1 1 A 61 61 THR C C 61 176.502 176.754 -0.252 1
1 783 . 18 1 1 A 61 61 THR CA C 61 66.420 66.845 -0.425 1
1 784 . 18 1 1 A 61 61 THR CB C 61 68.549 68.211 0.338 1
1 786 . 18 1 1 A 61 61 THR N N 61 117.698 116.615 1.083 1
1 787 . 18 1 1 A 62 62 LEU H H 62 7.717 7.806 -0.089 1
1 788 . 18 1 1 A 62 62 LEU HA H 62 3.542 3.723 -0.181 1
1 798 . 18 1 1 A 62 62 LEU C C 62 178.612 179.347 -0.735 1
1 799 . 18 1 1 A 62 62 LEU CA C 62 57.988 57.745 0.243 1
1 800 . 18 1 1 A 62 62 LEU CB C 62 40.241 40.805 -0.564 1
1 804 . 18 1 1 A 62 62 LEU N N 62 122.534 120.908 1.626 1
1 805 . 18 1 1 A 63 63 MET H H 63 8.230 7.921 0.309 1
1 806 . 18 1 1 A 63 63 MET HA H 63 3.771 4.146 -0.375 1
1 814 . 18 1 1 A 63 63 MET C C 63 177.674 178.164 -0.490 1
1 815 . 18 1 1 A 63 63 MET CA C 63 60.699 58.533 2.166 1
1 816 . 18 1 1 A 63 63 MET CB C 63 33.024 32.403 0.621 1
1 819 . 18 1 1 A 63 63 MET N N 63 116.719 117.969 -1.250 1
1 820 . 18 1 1 A 64 64 ASP H H 64 8.263 7.809 0.454 1
1 821 . 18 1 1 A 64 64 ASP HA H 64 4.401 4.320 0.081 1
1 824 . 18 1 1 A 64 64 ASP C C 64 178.378 178.496 -0.118 1
1 825 . 18 1 1 A 64 64 ASP CA C 64 57.400 57.316 0.084 1
1 826 . 18 1 1 A 64 64 ASP CB C 64 40.703 41.820 -1.117 1
1 827 . 18 1 1 A 64 64 ASP N N 64 118.611 120.637 -2.026 1
1 828 . 18 1 1 A 65 65 LYS H H 65 7.755 7.625 0.130 1
1 829 . 18 1 1 A 65 65 LYS HA H 65 3.970 4.100 -0.130 1
1 838 . 18 1 1 A 65 65 LYS C C 65 179.922 179.431 0.491 1
1 839 . 18 1 1 A 65 65 LYS CA C 65 59.466 59.328 0.138 1
1 840 . 18 1 1 A 65 65 LYS CB C 65 32.372 32.890 -0.518 1
1 844 . 18 1 1 A 65 65 LYS N N 65 118.452 117.800 0.652 1
1 845 . 18 1 1 A 66 66 LEU H H 66 7.768 8.004 -0.236 1
1 846 . 18 1 1 A 66 66 LEU HA H 66 4.066 4.199 -0.133 1
1 856 . 18 1 1 A 66 66 LEU C C 66 177.557 178.349 -0.792 1
1 857 . 18 1 1 A 66 66 LEU CA C 66 57.550 56.855 0.695 1
1 858 . 18 1 1 A 66 66 LEU CB C 66 43.218 41.619 1.599 1
1 862 . 18 1 1 A 66 66 LEU N N 66 118.471 119.428 -0.957 1
1 863 . 18 1 1 A 67 67 ARG H H 67 8.017 7.967 0.050 1
1 864 . 18 1 1 A 67 67 ARG HA H 67 3.855 4.143 -0.288 1
1 872 . 18 1 1 A 67 67 ARG C C 67 177.440 178.169 -0.729 1
1 873 . 18 1 1 A 67 67 ARG CA C 67 58.584 58.765 -0.181 1
1 874 . 18 1 1 A 67 67 ARG CB C 67 30.313 29.973 0.340 1
1 877 . 18 1 1 A 67 67 ARG N N 67 115.702 120.577 -4.875 1
1 879 . 18 1 1 A 68 68 LYS H H 68 7.168 7.490 -0.322 1
1 880 . 18 1 1 A 68 68 LYS HA H 68 4.198 4.343 -0.145 1
1 889 . 18 1 1 A 68 68 LYS C C 68 176.502 176.707 -0.205 1
1 890 . 18 1 1 A 68 68 LYS CA C 68 56.149 57.376 -1.227 1
1 891 . 18 1 1 A 68 68 LYS CB C 68 32.725 32.413 0.312 1
1 895 . 18 1 1 A 68 68 LYS N N 68 115.213 117.331 -2.118 1
1 896 . 18 1 1 A 69 69 VAL H H 69 7.348 7.670 -0.322 1
1 897 . 18 1 1 A 69 69 VAL HA H 69 3.776 4.179 -0.403 1
1 905 . 18 1 1 A 69 69 VAL C C 69 175.916 177.345 -1.429 1
1 906 . 18 1 1 A 69 69 VAL CA C 69 63.134 62.909 0.225 1
1 907 . 18 1 1 A 69 69 VAL CB C 69 31.075 31.996 -0.921 1
1 910 . 18 1 1 A 69 69 VAL N N 69 123.611 120.489 3.122 1
1 911 . 18 1 1 A 70 70 GLN H H 70 8.632 8.708 -0.076 1
1 912 . 18 1 1 A 70 70 GLN HA H 70 4.072 4.126 -0.054 1
1 919 . 18 1 1 A 70 70 GLN C C 70 176.151 177.673 -1.522 1
1 920 . 18 1 1 A 70 70 GLN CA C 70 57.800 57.958 -0.158 1
1 921 . 18 1 1 A 70 70 GLN CB C 70 28.100 28.214 -0.114 1
1 923 . 18 1 1 A 70 70 GLN N N 70 130.070 126.190 3.880 1
1 925 . 18 1 1 A 71 71 GLY H H 71 8.783 8.111 0.672 1
1 926 . 18 1 1 A 71 71 GLY HA2 H 71 4.598 4.054 0.544 1
1 927 . 18 1 1 A 71 71 GLY HA3 H 71 3.677 4.067 -0.390 1
1 928 . 18 1 1 A 71 71 GLY C C 71 173.924 174.151 -0.227 1
1 929 . 18 1 1 A 71 71 GLY CA C 71 44.941 45.627 -0.686 1
1 930 . 18 1 1 A 71 71 GLY N N 71 113.801 108.215 5.586 1
1 931 . 18 1 1 A 72 72 VAL H H 72 7.805 7.540 0.265 1
1 932 . 18 1 1 A 72 72 VAL HA H 72 3.723 3.941 -0.218 1
1 940 . 18 1 1 A 72 72 VAL C C 72 176.502 176.316 0.186 1
1 941 . 18 1 1 A 72 72 VAL CA C 72 64.020 62.144 1.876 1
1 942 . 18 1 1 A 72 72 VAL CB C 72 32.003 33.126 -1.123 1
1 945 . 18 1 1 A 72 72 VAL N N 72 120.334 120.271 0.063 1
1 946 . 18 1 1 A 73 73 PHE H H 73 9.522 7.690 1.832 1
1 947 . 18 1 1 A 73 73 PHE HA H 73 5.109 4.942 0.167 1
1 955 . 18 1 1 A 73 73 PHE C C 73 176.502 174.416 2.086 1
1 956 . 18 1 1 A 73 73 PHE CA C 73 56.354 56.711 -0.357 1
1 957 . 18 1 1 A 73 73 PHE CB C 73 39.615 40.732 -1.117 1
1 961 . 18 1 1 A 73 73 PHE N N 73 127.542 121.226 6.316 1
1 962 . 18 1 1 A 74 74 THR H H 74 7.972 7.319 0.653 1
1 963 . 18 1 1 A 74 74 THR HA H 74 4.736 4.891 -0.155 1
1 968 . 18 1 1 A 74 74 THR C C 74 172.400 173.234 -0.834 1
1 969 . 18 1 1 A 74 74 THR CA C 74 60.604 60.775 -0.171 1
1 970 . 18 1 1 A 74 74 THR CB C 74 72.576 71.360 1.216 1
1 972 . 18 1 1 A 74 74 THR N N 74 111.809 109.835 1.974 1
1 973 . 18 1 1 A 75 75 VAL H H 75 8.584 8.821 -0.237 1
1 974 . 18 1 1 A 75 75 VAL HA H 75 4.878 5.043 -0.165 1
1 982 . 18 1 1 A 75 75 VAL C C 75 174.510 174.918 -0.408 1
1 983 . 18 1 1 A 75 75 VAL CA C 75 61.844 61.700 0.144 1
1 984 . 18 1 1 A 75 75 VAL CB C 75 34.500 34.135 0.365 1
1 987 . 18 1 1 A 75 75 VAL N N 75 122.820 125.231 -2.411 1
1 988 . 18 1 1 A 76 76 GLU H H 76 9.029 8.786 0.243 1
1 989 . 18 1 1 A 76 76 GLU HA H 76 4.861 4.880 -0.019 1
1 994 . 18 1 1 A 76 76 GLU C C 76 174.510 174.417 0.093 1
1 995 . 18 1 1 A 76 76 GLU CA C 76 53.757 54.221 -0.464 1
1 996 . 18 1 1 A 76 76 GLU CB C 76 34.230 33.990 0.240 1
1 998 . 18 1 1 A 76 76 GLU N N 76 124.572 125.765 -1.193 1
1 999 . 18 1 1 A 77 77 ARG H H 77 8.962 8.589 0.373 1
1 1000 . 18 1 1 A 77 77 ARG HA H 77 4.736 4.861 -0.125 1
1 1008 . 18 1 1 A 77 77 ARG C C 77 176.502 175.599 0.903 1
1 1009 . 18 1 1 A 77 77 ARG CA C 77 55.521 55.538 -0.017 1
1 1010 . 18 1 1 A 77 77 ARG CB C 77 30.893 31.605 -0.712 1
1 1013 . 18 1 1 A 77 77 ARG N N 77 122.875 122.844 0.031 1
1 1015 . 18 1 1 A 78 78 LEU H H 78 8.252 9.215 -0.963 1
1 1016 . 18 1 1 A 78 78 LEU HA H 78 4.505 4.637 -0.132 1
1 1026 . 18 1 1 A 78 78 LEU C C 78 176.737 176.799 -0.062 1
1 1027 . 18 1 1 A 78 78 LEU CA C 78 53.875 54.026 -0.151 1
1 1028 . 18 1 1 A 78 78 LEU CB C 78 43.228 41.816 1.412 1
1 1032 . 18 1 1 A 78 78 LEU N N 78 127.062 127.044 0.018 1
1 1033 . 18 1 1 A 79 79 SER H H 79 8.635 8.904 -0.269 1
1 1034 . 18 1 1 A 79 79 SER HA H 79 4.492 4.460 0.032 1
1 1037 . 18 1 1 A 79 79 SER C C 79 174.041 174.474 -0.433 1
1 1038 . 18 1 1 A 79 79 SER CA C 79 58.465 61.127 -2.662 1
1 1039 . 18 1 1 A 79 79 SER CB C 79 63.993 63.408 0.585 1
1 1040 . 18 1 1 A 79 79 SER N N 79 118.446 120.448 -2.002 1
1 1041 . 18 1 1 A 80 80 ASN H H 80 8.421 7.903 0.518 1
1 1042 . 18 1 1 A 80 80 ASN HA H 80 4.668 4.862 -0.194 1
1 1047 . 18 1 1 A 80 80 ASN C C 80 175.096 174.355 0.741 1
1 1048 . 18 1 1 A 80 80 ASN CA C 80 53.300 52.866 0.434 1
1 1049 . 18 1 1 A 80 80 ASN CB C 80 38.300 38.812 -0.512 1
1 1050 . 18 1 1 A 80 80 ASN N N 80 119.339 118.290 1.049 1
1 1052 . 18 1 1 A 81 81 LEU H H 81 8.256 9.173 -0.917 1
1 1053 . 18 1 1 A 81 81 LEU HA H 81 4.258 5.050 -0.792 1
1 1063 . 18 1 1 A 81 81 LEU C C 81 177.323 177.623 -0.300 1
1 1064 . 18 1 1 A 81 81 LEU CA C 81 55.263 53.338 1.925 1
1 1065 . 18 1 1 A 81 81 LEU CB C 81 41.756 43.231 -1.475 1
1 1069 . 18 1 1 A 81 81 LEU N N 81 121.238 126.301 -5.063 1
1 1070 . 18 1 1 A 82 82 GLU H H 82 8.282 8.980 -0.698 1
1 1071 . 18 1 1 A 82 82 GLU HA H 82 4.169 4.329 -0.160 1
1 1076 . 18 1 1 A 82 82 GLU C C 82 176.385 176.578 -0.193 1
1 1077 . 18 1 1 A 82 82 GLU CA C 82 56.762 56.812 -0.050 1
1 1078 . 18 1 1 A 82 82 GLU CB C 82 29.997 29.152 0.845 1
1 1080 . 18 1 1 A 82 82 GLU N N 82 120.037 123.101 -3.064 1
1 1081 . 18 1 1 A 83 83 HIS H H 83 8.195 8.169 0.026 1
1 1082 . 18 1 1 A 83 83 HIS HA H 83 4.535 4.557 -0.022 1
1 1087 . 18 1 1 A 83 83 HIS C C 83 175.081 175.027 0.054 1
1 1088 . 18 1 1 A 83 83 HIS CA C 83 55.951 55.747 0.204 1
1 1089 . 18 1 1 A 83 83 HIS CB C 83 30.366 29.278 1.088 1
1 1 . 19 1 1 A 2 2 THR HA H 2 3.782 4.626 -0.844 1
1 6 . 19 1 1 A 2 2 THR C C 2 171.502 174.452 -2.950 1
1 7 . 19 1 1 A 2 2 THR CA C 2 61.906 62.954 -1.048 1
1 8 . 19 1 1 A 2 2 THR CB C 2 69.449 70.848 -1.399 1
1 10 . 19 1 1 A 3 3 ASP H H 3 8.636 7.830 0.806 1
1 11 . 19 1 1 A 3 3 ASP HA H 3 4.803 5.169 -0.366 1
1 14 . 19 1 1 A 3 3 ASP C C 3 175.330 176.273 -0.943 1
1 15 . 19 1 1 A 3 3 ASP CA C 3 54.454 55.406 -0.952 1
1 16 . 19 1 1 A 3 3 ASP CB C 3 41.426 41.369 0.057 1
1 17 . 19 1 1 A 3 3 ASP N N 3 125.850 120.924 4.926 1
1 18 . 19 1 1 A 4 4 PHE H H 4 8.608 8.713 -0.105 1
1 19 . 19 1 1 A 4 4 PHE HA H 4 5.042 5.476 -0.434 1
1 27 . 19 1 1 A 4 4 PHE C C 4 172.986 172.359 0.627 1
1 28 . 19 1 1 A 4 4 PHE CA C 4 55.505 55.466 0.039 1
1 29 . 19 1 1 A 4 4 PHE CB C 4 41.288 41.987 -0.699 1
1 33 . 19 1 1 A 4 4 PHE N N 4 117.566 117.771 -0.205 1
1 34 . 19 1 1 A 5 5 LEU H H 5 8.498 8.511 -0.013 1
1 35 . 19 1 1 A 5 5 LEU HA H 5 4.532 3.934 0.598 1
1 45 . 19 1 1 A 5 5 LEU C C 5 175.330 174.826 0.504 1
1 46 . 19 1 1 A 5 5 LEU CA C 5 54.222 53.750 0.472 1
1 47 . 19 1 1 A 5 5 LEU CB C 5 42.932 42.485 0.447 1
1 51 . 19 1 1 A 5 5 LEU N N 5 123.329 121.735 1.594 1
1 52 . 19 1 1 A 6 6 ALA H H 6 9.325 8.831 0.494 1
1 53 . 19 1 1 A 6 6 ALA HA H 6 4.769 5.217 -0.448 1
1 57 . 19 1 1 A 6 6 ALA C C 6 174.744 176.779 -2.035 1
1 58 . 19 1 1 A 6 6 ALA CA C 6 50.500 50.891 -0.391 1
1 59 . 19 1 1 A 6 6 ALA CB C 6 23.746 21.062 2.684 1
1 60 . 19 1 1 A 6 6 ALA N N 6 129.530 130.046 -0.516 1
1 61 . 19 1 1 A 7 7 GLY H H 7 8.639 8.599 0.040 1
1 62 . 19 1 1 A 7 7 GLY HA2 H 7 5.721 4.329 1.392 1
1 63 . 19 1 1 A 7 7 GLY HA3 H 7 3.508 4.343 -0.835 1
1 64 . 19 1 1 A 7 7 GLY C C 7 173.221 171.715 1.506 1
1 65 . 19 1 1 A 7 7 GLY CA C 7 45.351 44.390 0.961 1
1 66 . 19 1 1 A 7 7 GLY N N 7 106.888 106.333 0.555 1
1 67 . 19 1 1 A 8 8 ILE H H 8 9.356 9.125 0.231 1
1 68 . 19 1 1 A 8 8 ILE HA H 8 4.957 4.799 0.158 1
1 78 . 19 1 1 A 8 8 ILE C C 8 172.986 173.826 -0.840 1
1 79 . 19 1 1 A 8 8 ILE CA C 8 59.551 59.722 -0.171 1
1 80 . 19 1 1 A 8 8 ILE CB C 8 43.405 41.756 1.649 1
1 84 . 19 1 1 A 8 8 ILE N N 8 122.820 124.016 -1.196 1
1 85 . 19 1 1 A 9 9 ARG H H 9 9.364 9.426 -0.062 1
1 86 . 19 1 1 A 9 9 ARG HA H 9 5.609 5.051 0.558 1
1 94 . 19 1 1 A 9 9 ARG C C 9 175.096 174.847 0.249 1
1 95 . 19 1 1 A 9 9 ARG CA C 9 54.192 54.475 -0.283 1
1 96 . 19 1 1 A 9 9 ARG CB C 9 33.400 33.286 0.114 1
1 99 . 19 1 1 A 9 9 ARG N N 9 126.323 127.829 -1.506 1
1 101 . 19 1 1 A 10 10 ILE H H 10 9.479 8.944 0.535 1
1 102 . 19 1 1 A 10 10 ILE HA H 10 5.089 4.907 0.182 1
1 112 . 19 1 1 A 10 10 ILE C C 10 174.275 174.433 -0.158 1
1 113 . 19 1 1 A 10 10 ILE CA C 10 60.127 60.122 0.005 1
1 114 . 19 1 1 A 10 10 ILE CB C 10 42.651 40.479 2.172 1
1 118 . 19 1 1 A 10 10 ILE N N 10 128.583 126.719 1.864 1
1 119 . 19 1 1 A 11 11 VAL H H 11 8.581 8.770 -0.189 1
1 120 . 19 1 1 A 11 11 VAL HA H 11 4.793 4.863 -0.070 1
1 128 . 19 1 1 A 11 11 VAL C C 11 175.827 174.559 1.268 1
1 129 . 19 1 1 A 11 11 VAL CA C 11 60.201 60.322 -0.121 1
1 130 . 19 1 1 A 11 11 VAL CB C 11 34.522 33.987 0.535 1
1 133 . 19 1 1 A 11 11 VAL N N 11 126.323 128.002 -1.679 1
1 134 . 19 1 1 A 12 12 GLY H H 12 7.713 7.363 0.350 1
1 135 . 19 1 1 A 12 12 GLY HA2 H 12 3.434 3.039 0.395 1
1 136 . 19 1 1 A 12 12 GLY HA3 H 12 3.563 3.826 -0.263 1
1 137 . 19 1 1 A 12 12 GLY C C 12 170.332 173.045 -2.713 1
1 138 . 19 1 1 A 12 12 GLY CA C 12 45.842 43.715 2.127 1
1 139 . 19 1 1 A 12 12 GLY N N 12 113.216 113.588 -0.372 1
1 140 . 19 1 1 A 13 13 GLU H H 13 8.180 8.324 -0.144 1
1 141 . 19 1 1 A 13 13 GLU HA H 13 4.387 4.438 -0.051 1
1 146 . 19 1 1 A 13 13 GLU C C 13 175.409 175.717 -0.308 1
1 147 . 19 1 1 A 13 13 GLU CA C 13 55.865 56.887 -1.022 1
1 148 . 19 1 1 A 13 13 GLU CB C 13 31.102 30.139 0.963 1
1 150 . 19 1 1 A 13 13 GLU N N 13 119.035 118.629 0.406 1
1 151 . 19 1 1 A 14 14 ASP H H 14 8.095 8.324 -0.229 1
1 152 . 19 1 1 A 14 14 ASP HA H 14 4.888 5.010 -0.122 1
1 155 . 19 1 1 A 14 14 ASP C C 14 174.991 175.201 -0.210 1
1 156 . 19 1 1 A 14 14 ASP CA C 14 52.473 54.236 -1.763 1
1 157 . 19 1 1 A 14 14 ASP CB C 14 40.364 41.373 -1.009 1
1 158 . 19 1 1 A 14 14 ASP N N 14 122.877 123.839 -0.962 1
1 159 . 19 1 1 A 15 15 LYS H H 15 7.345 8.717 -1.372 1
1 160 . 19 1 1 A 15 15 LYS HA H 15 4.550 4.738 -0.188 1
1 169 . 19 1 1 A 15 15 LYS C C 15 176.385 177.633 -1.248 1
1 170 . 19 1 1 A 15 15 LYS CA C 15 54.554 54.528 0.026 1
1 171 . 19 1 1 A 15 15 LYS CB C 15 35.403 34.549 0.854 1
1 175 . 19 1 1 A 15 15 LYS N N 15 120.221 125.953 -5.732 1
1 176 . 19 1 1 A 16 16 ASN H H 16 9.025 8.687 0.338 1
1 177 . 19 1 1 A 16 16 ASN HA H 16 4.386 4.423 -0.037 1
1 182 . 19 1 1 A 16 16 ASN C C 16 175.916 176.284 -0.368 1
1 183 . 19 1 1 A 16 16 ASN CA C 16 54.966 55.838 -0.872 1
1 184 . 19 1 1 A 16 16 ASN CB C 16 37.810 38.308 -0.498 1
1 185 . 19 1 1 A 16 16 ASN N N 16 119.785 119.210 0.575 1
1 187 . 19 1 1 A 17 17 GLY H H 17 8.780 7.636 1.144 1
1 188 . 19 1 1 A 17 17 GLY HA2 H 17 4.125 4.050 0.075 1
1 189 . 19 1 1 A 17 17 GLY HA3 H 17 3.970 4.071 -0.101 1
1 190 . 19 1 1 A 17 17 GLY C C 17 176.151 175.203 0.948 1
1 191 . 19 1 1 A 17 17 GLY CA C 17 45.996 45.568 0.428 1
1 192 . 19 1 1 A 17 17 GLY N N 17 110.504 105.215 5.289 1
1 193 . 19 1 1 A 18 18 MET H H 18 7.989 7.885 0.104 1
1 194 . 19 1 1 A 18 18 MET HA H 18 4.359 4.197 0.162 1
1 202 . 19 1 1 A 18 18 MET C C 18 178.589 178.174 0.415 1
1 203 . 19 1 1 A 18 18 MET CA C 18 57.405 58.097 -0.692 1
1 204 . 19 1 1 A 18 18 MET CB C 18 31.847 33.318 -1.471 1
1 207 . 19 1 1 A 18 18 MET N N 18 121.860 119.614 2.246 1
1 208 . 19 1 1 A 19 19 THR H H 19 8.807 8.046 0.761 1
1 209 . 19 1 1 A 19 19 THR HA H 19 3.233 3.281 -0.048 1
1 215 . 19 1 1 A 19 19 THR C C 19 177.909 177.019 0.890 1
1 216 . 19 1 1 A 19 19 THR CA C 19 65.516 65.160 0.356 1
1 217 . 19 1 1 A 19 19 THR CB C 19 67.000 68.065 -1.065 1
1 219 . 19 1 1 A 19 19 THR N N 19 111.351 112.049 -0.698 1
1 220 . 19 1 1 A 20 20 ASN H H 20 7.936 7.888 0.048 1
1 221 . 19 1 1 A 20 20 ASN HA H 20 4.083 4.431 -0.348 1
1 226 . 19 1 1 A 20 20 ASN C C 20 176.854 177.619 -0.765 1
1 227 . 19 1 1 A 20 20 ASN CA C 20 57.669 55.725 1.944 1
1 228 . 19 1 1 A 20 20 ASN CB C 20 36.625 38.376 -1.751 1
1 229 . 19 1 1 A 20 20 ASN N N 20 121.577 120.304 1.273 1
1 231 . 19 1 1 A 21 21 GLN H H 21 8.433 8.191 0.242 1
1 232 . 19 1 1 A 21 21 GLN HA H 21 4.046 4.037 0.009 1
1 239 . 19 1 1 A 21 21 GLN C C 21 179.550 178.383 1.167 1
1 240 . 19 1 1 A 21 21 GLN CA C 21 59.187 58.644 0.543 1
1 241 . 19 1 1 A 21 21 GLN CB C 21 28.512 27.913 0.599 1
1 243 . 19 1 1 A 21 21 GLN N N 21 120.250 117.478 2.772 1
1 245 . 19 1 1 A 22 22 ILE H H 22 8.779 8.188 0.591 1
1 246 . 19 1 1 A 22 22 ILE HA H 22 3.823 3.656 0.167 1
1 256 . 19 1 1 A 22 22 ILE C C 22 176.854 177.803 -0.949 1
1 257 . 19 1 1 A 22 22 ILE CA C 22 61.611 65.646 -4.035 1
1 258 . 19 1 1 A 22 22 ILE CB C 22 36.935 38.249 -1.314 1
1 262 . 19 1 1 A 22 22 ILE N N 22 119.497 121.303 -1.806 1
1 263 . 19 1 1 A 23 23 THR H H 23 7.478 8.048 -0.570 1
1 264 . 19 1 1 A 23 23 THR HA H 23 3.523 3.917 -0.394 1
1 270 . 19 1 1 A 23 23 THR C C 23 176.502 176.886 -0.384 1
1 271 . 19 1 1 A 23 23 THR CA C 23 67.006 66.354 0.652 1
1 272 . 19 1 1 A 23 23 THR CB C 23 67.305 68.412 -1.107 1
1 274 . 19 1 1 A 23 23 THR N N 23 115.702 115.786 -0.084 1
1 275 . 19 1 1 A 24 24 GLY H H 24 8.011 8.381 -0.370 1
1 276 . 19 1 1 A 24 24 GLY HA2 H 24 3.880 3.581 0.299 1
1 277 . 19 1 1 A 24 24 GLY HA3 H 24 3.672 3.590 0.082 1
1 278 . 19 1 1 A 24 24 GLY C C 24 176.385 176.124 0.261 1
1 279 . 19 1 1 A 24 24 GLY CA C 24 47.163 47.062 0.101 1
1 280 . 19 1 1 A 24 24 GLY N N 24 110.691 107.886 2.805 1
1 281 . 19 1 1 A 25 25 VAL H H 25 7.898 8.032 -0.134 1
1 282 . 19 1 1 A 25 25 VAL HA H 25 3.473 3.616 -0.143 1
1 290 . 19 1 1 A 25 25 VAL C C 25 178.286 177.394 0.892 1
1 291 . 19 1 1 A 25 25 VAL CA C 25 66.432 65.818 0.614 1
1 292 . 19 1 1 A 25 25 VAL CB C 25 31.925 31.632 0.293 1
1 295 . 19 1 1 A 25 25 VAL N N 25 123.276 121.099 2.177 1
1 296 . 19 1 1 A 26 26 ILE H H 26 7.646 7.906 -0.260 1
1 297 . 19 1 1 A 26 26 ILE HA H 26 2.698 2.188 0.510 1
1 307 . 19 1 1 A 26 26 ILE C C 26 177.440 177.741 -0.301 1
1 308 . 19 1 1 A 26 26 ILE CA C 26 64.163 64.698 -0.535 1
1 309 . 19 1 1 A 26 26 ILE CB C 26 37.876 37.439 0.437 1
1 313 . 19 1 1 A 26 26 ILE N N 26 116.606 120.106 -3.500 1
1 314 . 19 1 1 A 27 27 SER H H 27 7.783 8.147 -0.364 1
1 315 . 19 1 1 A 27 27 SER HA H 27 3.908 4.127 -0.219 1
1 319 . 19 1 1 A 27 27 SER C C 27 175.330 176.154 -0.824 1
1 320 . 19 1 1 A 27 27 SER CA C 27 61.465 61.129 0.336 1
1 321 . 19 1 1 A 27 27 SER CB C 27 63.388 62.751 0.637 1
1 322 . 19 1 1 A 27 27 SER N N 27 112.932 115.350 -2.418 1
1 323 . 19 1 1 A 28 28 LYS H H 28 7.008 7.522 -0.514 1
1 324 . 19 1 1 A 28 28 LYS HA H 28 4.234 4.264 -0.030 1
1 333 . 19 1 1 A 28 28 LYS C C 28 177.323 177.065 0.258 1
1 334 . 19 1 1 A 28 28 LYS CA C 28 56.161 57.210 -1.049 1
1 335 . 19 1 1 A 28 28 LYS CB C 28 32.742 32.593 0.149 1
1 339 . 19 1 1 A 28 28 LYS N N 28 118.978 119.142 -0.164 1
1 340 . 19 1 1 A 29 29 PHE H H 29 7.691 7.311 0.380 1
1 341 . 19 1 1 A 29 29 PHE HA H 29 4.576 4.475 0.101 1
1 349 . 19 1 1 A 29 29 PHE C C 29 175.841 176.016 -0.175 1
1 350 . 19 1 1 A 29 29 PHE CA C 29 56.366 58.233 -1.867 1
1 351 . 19 1 1 A 29 29 PHE CB C 29 38.723 39.905 -1.182 1
1 355 . 19 1 1 A 29 29 PHE N N 29 120.755 119.422 1.333 1
1 356 . 19 1 1 A 30 30 ASP H H 30 8.388 8.763 -0.375 1
1 357 . 19 1 1 A 30 30 ASP HA H 30 4.650 4.583 0.067 1
1 360 . 19 1 1 A 30 30 ASP C C 30 175.096 176.467 -1.371 1
1 361 . 19 1 1 A 30 30 ASP CA C 30 53.331 56.315 -2.984 1
1 362 . 19 1 1 A 30 30 ASP CB C 30 38.691 41.733 -3.042 1
1 363 . 19 1 1 A 30 30 ASP N N 30 122.230 120.908 1.322 1
1 364 . 19 1 1 A 31 31 THR H H 31 7.663 7.731 -0.068 1
1 365 . 19 1 1 A 31 31 THR HA H 31 4.558 4.499 0.059 1
1 370 . 19 1 1 A 31 31 THR C C 31 173.297 173.510 -0.213 1
1 371 . 19 1 1 A 31 31 THR CA C 31 59.333 60.510 -1.177 1
1 372 . 19 1 1 A 31 31 THR CB C 31 70.319 70.660 -0.341 1
1 374 . 19 1 1 A 31 31 THR N N 31 112.538 114.359 -1.821 1
1 375 . 19 1 1 A 32 32 ASN H H 32 8.308 8.787 -0.479 1
1 376 . 19 1 1 A 32 32 ASN HA H 32 4.910 5.503 -0.593 1
1 381 . 19 1 1 A 32 32 ASN C C 32 175.447 174.557 0.890 1
1 382 . 19 1 1 A 32 32 ASN CA C 32 52.732 51.535 1.197 1
1 383 . 19 1 1 A 32 32 ASN CB C 32 39.337 42.018 -2.681 1
1 384 . 19 1 1 A 32 32 ASN N N 32 121.973 122.634 -0.661 1
1 386 . 19 1 1 A 33 33 ILE H H 33 8.320 9.050 -0.730 1
1 387 . 19 1 1 A 33 33 ILE HA H 33 3.846 4.143 -0.297 1
1 397 . 19 1 1 A 33 33 ILE C C 33 175.230 176.305 -1.075 1
1 398 . 19 1 1 A 33 33 ILE CA C 33 63.300 61.741 1.559 1
1 399 . 19 1 1 A 33 33 ILE CB C 33 39.167 36.960 2.207 1
1 403 . 19 1 1 A 33 33 ILE N N 33 125.984 126.718 -0.734 1
1 404 . 19 1 1 A 34 34 ARG H H 34 8.858 8.933 -0.075 1
1 405 . 19 1 1 A 34 34 ARG HA H 34 4.538 4.314 0.224 1
1 413 . 19 1 1 A 34 34 ARG C C 34 175.565 175.789 -0.224 1
1 414 . 19 1 1 A 34 34 ARG CA C 34 54.900 58.119 -3.219 1
1 415 . 19 1 1 A 34 34 ARG CB C 34 30.275 31.572 -1.297 1
1 418 . 19 1 1 A 34 34 ARG N N 34 126.537 130.076 -3.539 1
1 420 . 19 1 1 A 35 35 THR H H 35 7.698 7.477 0.221 1
1 421 . 19 1 1 A 35 35 THR HA H 35 5.311 4.983 0.328 1
1 426 . 19 1 1 A 35 35 THR C C 35 173.807 172.132 1.675 1
1 427 . 19 1 1 A 35 35 THR CA C 35 61.040 61.209 -0.169 1
1 428 . 19 1 1 A 35 35 THR CB C 35 74.055 72.467 1.588 1
1 430 . 19 1 1 A 35 35 THR N N 35 111.895 110.408 1.487 1
1 431 . 19 1 1 A 36 36 ILE H H 36 8.907 9.110 -0.203 1
1 432 . 19 1 1 A 36 36 ILE HA H 36 4.753 5.288 -0.535 1
1 442 . 19 1 1 A 36 36 ILE C C 36 174.275 173.448 0.827 1
1 443 . 19 1 1 A 36 36 ILE CA C 36 61.400 59.620 1.780 1
1 444 . 19 1 1 A 36 36 ILE CB C 36 42.569 41.749 0.820 1
1 448 . 19 1 1 A 36 36 ILE N N 36 123.257 128.145 -4.888 1
1 449 . 19 1 1 A 37 37 VAL H H 37 8.933 9.077 -0.144 1
1 450 . 19 1 1 A 37 37 VAL HA H 37 4.903 4.623 0.280 1
1 458 . 19 1 1 A 37 37 VAL C C 37 174.684 174.089 0.595 1
1 459 . 19 1 1 A 37 37 VAL CA C 37 62.100 61.591 0.509 1
1 460 . 19 1 1 A 37 37 VAL CB C 37 34.186 34.141 0.045 1
1 463 . 19 1 1 A 37 37 VAL N N 37 126.323 128.879 -2.556 1
1 464 . 19 1 1 A 38 38 LEU H H 38 9.751 9.145 0.606 1
1 465 . 19 1 1 A 38 38 LEU HA H 38 5.636 5.796 -0.160 1
1 475 . 19 1 1 A 38 38 LEU C C 38 174.510 175.044 -0.534 1
1 476 . 19 1 1 A 38 38 LEU CA C 38 53.810 53.498 0.312 1
1 477 . 19 1 1 A 38 38 LEU CB C 38 45.655 45.350 0.305 1
1 481 . 19 1 1 A 38 38 LEU N N 38 133.332 129.897 3.435 1
1 482 . 19 1 1 A 39 39 ASN H H 39 8.952 8.967 -0.015 1
1 483 . 19 1 1 A 39 39 ASN HA H 39 5.450 5.483 -0.033 1
1 488 . 19 1 1 A 39 39 ASN C C 39 172.869 173.406 -0.537 1
1 489 . 19 1 1 A 39 39 ASN CA C 39 53.137 51.428 1.709 1
1 490 . 19 1 1 A 39 39 ASN CB C 39 43.287 42.591 0.696 1
1 491 . 19 1 1 A 39 39 ASN N N 39 123.262 123.469 -0.207 1
1 493 . 19 1 1 A 40 40 ALA H H 40 8.467 8.938 -0.471 1
1 494 . 19 1 1 A 40 40 ALA HA H 40 5.345 5.750 -0.405 1
1 498 . 19 1 1 A 40 40 ALA C C 40 175.447 176.803 -1.356 1
1 499 . 19 1 1 A 40 40 ALA CA C 40 51.370 50.672 0.698 1
1 500 . 19 1 1 A 40 40 ALA CB C 40 20.975 20.801 0.174 1
1 501 . 19 1 1 A 40 40 ALA N N 40 127.058 124.874 2.184 1
1 502 . 19 1 1 A 41 41 LYS H H 41 8.865 8.972 -0.107 1
1 503 . 19 1 1 A 41 41 LYS HA H 41 4.435 4.962 -0.527 1
1 512 . 19 1 1 A 41 41 LYS C C 41 175.565 175.545 0.020 1
1 513 . 19 1 1 A 41 41 LYS CA C 41 56.736 54.868 1.868 1
1 514 . 19 1 1 A 41 41 LYS CB C 41 34.811 35.779 -0.968 1
1 518 . 19 1 1 A 41 41 LYS N N 41 121.996 120.601 1.395 1
1 519 . 19 1 1 A 42 42 ASP H H 42 9.197 9.503 -0.306 1
1 520 . 19 1 1 A 42 42 ASP HA H 42 4.373 4.325 0.048 1
1 523 . 19 1 1 A 42 42 ASP C C 42 175.447 175.433 0.014 1
1 524 . 19 1 1 A 42 42 ASP CA C 42 55.547 55.096 0.451 1
1 525 . 19 1 1 A 42 42 ASP CB C 42 39.485 39.892 -0.407 1
1 526 . 19 1 1 A 42 42 ASP N N 42 122.213 120.278 1.935 1
1 527 . 19 1 1 A 43 43 GLY H H 43 9.306 8.614 0.692 1
1 528 . 19 1 1 A 43 43 GLY HA2 H 43 4.443 3.865 0.578 1
1 529 . 19 1 1 A 43 43 GLY HA3 H 43 3.816 3.869 -0.053 1
1 530 . 19 1 1 A 43 43 GLY C C 43 174.979 173.843 1.136 1
1 531 . 19 1 1 A 43 43 GLY CA C 43 45.661 45.545 0.116 1
1 532 . 19 1 1 A 43 43 GLY N N 43 104.610 104.550 0.060 1
1 533 . 19 1 1 A 44 44 ILE H H 44 8.117 7.881 0.236 1
1 534 . 19 1 1 A 44 44 ILE HA H 44 5.112 4.863 0.249 1
1 544 . 19 1 1 A 44 44 ILE C C 44 175.213 175.043 0.170 1
1 545 . 19 1 1 A 44 44 ILE CA C 44 59.040 59.343 -0.303 1
1 546 . 19 1 1 A 44 44 ILE CB C 44 42.013 40.859 1.154 1
1 550 . 19 1 1 A 44 44 ILE N N 44 122.284 122.199 0.085 1
1 551 . 19 1 1 A 45 45 PHE H H 45 8.955 8.332 0.623 1
1 552 . 19 1 1 A 45 45 PHE HA H 45 5.740 6.020 -0.280 1
1 560 . 19 1 1 A 45 45 PHE C C 45 172.283 172.849 -0.566 1
1 561 . 19 1 1 A 45 45 PHE CA C 45 55.872 54.968 0.904 1
1 562 . 19 1 1 A 45 45 PHE CB C 45 42.740 42.640 0.100 1
1 566 . 19 1 1 A 45 45 PHE N N 45 121.747 120.445 1.302 1
1 567 . 19 1 1 A 46 46 THR H H 46 8.659 9.149 -0.490 1
1 568 . 19 1 1 A 46 46 THR HA H 46 5.111 5.218 -0.107 1
1 574 . 19 1 1 A 46 46 THR C C 46 174.041 172.339 1.702 1
1 575 . 19 1 1 A 46 46 THR CA C 46 59.750 60.211 -0.461 1
1 576 . 19 1 1 A 46 46 THR CB C 46 71.380 71.121 0.259 1
1 578 . 19 1 1 A 46 46 THR N N 46 113.420 115.911 -2.491 1
1 579 . 19 1 1 A 47 47 CYS H H 47 9.619 9.472 0.147 1
1 580 . 19 1 1 A 47 47 CYS HA H 47 5.562 5.064 0.498 1
1 584 . 19 1 1 A 47 47 CYS C C 47 172.283 173.208 -0.925 1
1 585 . 19 1 1 A 47 47 CYS CA C 47 56.776 57.463 -0.687 1
1 586 . 19 1 1 A 47 47 CYS CB C 47 29.112 29.301 -0.189 1
1 587 . 19 1 1 A 47 47 CYS N N 47 124.781 130.093 -5.312 1
1 588 . 19 1 1 A 48 48 ASN H H 48 9.293 9.506 -0.213 1
1 589 . 19 1 1 A 48 48 ASN HA H 48 5.629 5.260 0.369 1
1 594 . 19 1 1 A 48 48 ASN C C 48 173.455 173.750 -0.295 1
1 595 . 19 1 1 A 48 48 ASN CA C 48 51.962 52.447 -0.485 1
1 596 . 19 1 1 A 48 48 ASN CB C 48 40.059 39.201 0.858 1
1 597 . 19 1 1 A 48 48 ASN N N 48 129.520 125.596 3.924 1
1 599 . 19 1 1 A 49 49 LEU H H 49 9.435 9.070 0.365 1
1 600 . 19 1 1 A 49 49 LEU HA H 49 5.158 4.979 0.179 1
1 610 . 19 1 1 A 49 49 LEU C C 49 174.510 174.567 -0.057 1
1 611 . 19 1 1 A 49 49 LEU CA C 49 53.178 53.689 -0.511 1
1 612 . 19 1 1 A 49 49 LEU CB C 49 46.402 44.404 1.998 1
1 616 . 19 1 1 A 49 49 LEU N N 49 125.541 127.437 -1.896 1
1 617 . 19 1 1 A 50 50 MET H H 50 8.978 9.075 -0.097 1
1 618 . 19 1 1 A 50 50 MET HA H 50 5.723 5.552 0.171 1
1 626 . 19 1 1 A 50 50 MET C C 50 175.682 174.869 0.813 1
1 627 . 19 1 1 A 50 50 MET CA C 50 54.073 54.147 -0.074 1
1 628 . 19 1 1 A 50 50 MET CB C 50 33.643 34.635 -0.992 1
1 631 . 19 1 1 A 50 50 MET N N 50 123.131 125.069 -1.938 1
1 632 . 19 1 1 A 51 51 ILE H H 51 9.056 8.730 0.326 1
1 633 . 19 1 1 A 51 51 ILE HA H 51 5.044 5.020 0.024 1
1 643 . 19 1 1 A 51 51 ILE C C 51 173.689 174.180 -0.491 1
1 644 . 19 1 1 A 51 51 ILE CA C 51 58.495 59.102 -0.607 1
1 645 . 19 1 1 A 51 51 ILE CB C 51 41.447 42.144 -0.697 1
1 649 . 19 1 1 A 51 51 ILE N N 51 118.753 118.139 0.614 1
1 650 . 19 1 1 A 52 52 PHE H H 52 8.324 9.034 -0.710 1
1 651 . 19 1 1 A 52 52 PHE HA H 52 5.345 5.025 0.320 1
1 659 . 19 1 1 A 52 52 PHE C C 52 176.084 175.643 0.441 1
1 660 . 19 1 1 A 52 52 PHE CA C 52 56.478 57.248 -0.770 1
1 661 . 19 1 1 A 52 52 PHE CB C 52 40.520 40.654 -0.134 1
1 665 . 19 1 1 A 52 52 PHE N N 52 120.910 122.346 -1.436 1
1 666 . 19 1 1 A 53 53 VAL H H 53 8.865 8.239 0.626 1
1 667 . 19 1 1 A 53 53 VAL HA H 53 4.663 4.596 0.067 1
1 675 . 19 1 1 A 53 53 VAL C C 53 174.812 176.119 -1.307 1
1 676 . 19 1 1 A 53 53 VAL CA C 53 58.881 59.085 -0.204 1
1 677 . 19 1 1 A 53 53 VAL CB C 53 35.707 34.858 0.849 1
1 680 . 19 1 1 A 53 53 VAL N N 53 118.244 115.993 2.251 1
1 681 . 19 1 1 A 54 54 LYS H H 54 8.335 8.625 -0.290 1
1 682 . 19 1 1 A 54 54 LYS HA H 54 4.324 4.139 0.185 1
1 691 . 19 1 1 A 54 54 LYS C C 54 176.655 176.479 0.176 1
1 692 . 19 1 1 A 54 54 LYS CA C 54 58.039 58.978 -0.939 1
1 693 . 19 1 1 A 54 54 LYS CB C 54 33.974 32.222 1.752 1
1 697 . 19 1 1 A 54 54 LYS N N 54 120.334 121.914 -1.580 1
1 698 . 19 1 1 A 55 55 ASN H H 55 7.235 7.713 -0.478 1
1 699 . 19 1 1 A 55 55 ASN HA H 55 4.888 5.372 -0.484 1
1 704 . 19 1 1 A 55 55 ASN C C 55 175.083 175.320 -0.237 1
1 705 . 19 1 1 A 55 55 ASN CA C 55 52.173 52.049 0.124 1
1 706 . 19 1 1 A 55 55 ASN CB C 55 39.333 40.465 -1.132 1
1 707 . 19 1 1 A 55 55 ASN N N 55 108.018 113.861 -5.843 1
1 709 . 19 1 1 A 56 56 THR H H 56 8.865 8.789 0.076 1
1 710 . 19 1 1 A 56 56 THR HA H 56 4.036 4.196 -0.160 1
1 715 . 19 1 1 A 56 56 THR C C 56 178.637 176.337 2.300 1
1 716 . 19 1 1 A 56 56 THR CA C 56 65.800 66.254 -0.454 1
1 717 . 19 1 1 A 56 56 THR CB C 56 68.341 68.276 0.065 1
1 719 . 19 1 1 A 56 56 THR N N 56 113.338 112.990 0.348 1
1 720 . 19 1 1 A 57 57 ASP H H 57 8.384 8.451 -0.067 1
1 721 . 19 1 1 A 57 57 ASP HA H 57 4.467 4.280 0.187 1
1 724 . 19 1 1 A 57 57 ASP CA C 57 57.400 57.753 -0.353 1
1 725 . 19 1 1 A 57 57 ASP CB C 57 39.938 42.127 -2.189 1
1 726 . 19 1 1 A 57 57 ASP N N 57 124.402 121.888 2.514 1
1 727 . 19 1 1 A 58 58 LYS H H 58 8.266 7.705 0.561 1
1 728 . 19 1 1 A 58 58 LYS HA H 58 4.172 4.027 0.145 1
1 740 . 19 1 1 A 58 58 LYS C C 58 178.378 178.719 -0.341 1
1 741 . 19 1 1 A 58 58 LYS CA C 58 57.695 59.156 -1.461 1
1 742 . 19 1 1 A 58 58 LYS CB C 58 31.763 32.002 -0.239 1
1 746 . 19 1 1 A 58 58 LYS N N 58 120.194 120.294 -0.100 1
1 747 . 19 1 1 A 59 59 LEU H H 59 7.302 7.282 0.020 1
1 748 . 19 1 1 A 59 59 LEU HA H 59 3.907 3.923 -0.016 1
1 758 . 19 1 1 A 59 59 LEU C C 59 177.909 178.364 -0.455 1
1 759 . 19 1 1 A 59 59 LEU CA C 59 57.979 57.979 0.000 1
1 760 . 19 1 1 A 59 59 LEU CB C 59 41.727 41.566 0.161 1
1 764 . 19 1 1 A 59 59 LEU N N 59 118.583 120.819 -2.236 1
1 765 . 19 1 1 A 60 60 THR H H 60 8.500 8.212 0.288 1
1 766 . 19 1 1 A 60 60 THR HA H 60 3.845 4.076 -0.231 1
1 771 . 19 1 1 A 60 60 THR C C 60 176.502 177.083 -0.581 1
1 772 . 19 1 1 A 60 60 THR CA C 60 66.691 65.836 0.855 1
1 773 . 19 1 1 A 60 60 THR CB C 60 68.390 68.123 0.267 1
1 775 . 19 1 1 A 60 60 THR N N 60 115.462 112.183 3.279 1
1 776 . 19 1 1 A 61 61 THR H H 61 7.996 7.643 0.353 1
1 777 . 19 1 1 A 61 61 THR HA H 61 4.053 3.972 0.081 1
1 782 . 19 1 1 A 61 61 THR C C 61 176.502 176.404 0.098 1
1 783 . 19 1 1 A 61 61 THR CA C 61 66.420 66.892 -0.472 1
1 784 . 19 1 1 A 61 61 THR CB C 61 68.549 68.402 0.147 1
1 786 . 19 1 1 A 61 61 THR N N 61 117.698 116.857 0.841 1
1 787 . 19 1 1 A 62 62 LEU H H 62 7.717 7.841 -0.124 1
1 788 . 19 1 1 A 62 62 LEU HA H 62 3.542 3.541 0.001 1
1 798 . 19 1 1 A 62 62 LEU C C 62 178.612 179.011 -0.399 1
1 799 . 19 1 1 A 62 62 LEU CA C 62 57.988 57.687 0.301 1
1 800 . 19 1 1 A 62 62 LEU CB C 62 40.241 41.050 -0.809 1
1 804 . 19 1 1 A 62 62 LEU N N 62 122.534 120.840 1.694 1
1 805 . 19 1 1 A 63 63 MET H H 63 8.230 8.131 0.099 1
1 806 . 19 1 1 A 63 63 MET HA H 63 3.771 4.177 -0.406 1
1 814 . 19 1 1 A 63 63 MET C C 63 177.674 178.144 -0.470 1
1 815 . 19 1 1 A 63 63 MET CA C 63 60.699 58.256 2.443 1
1 816 . 19 1 1 A 63 63 MET CB C 63 33.024 32.554 0.470 1
1 819 . 19 1 1 A 63 63 MET N N 63 116.719 116.857 -0.138 1
1 820 . 19 1 1 A 64 64 ASP H H 64 8.263 8.232 0.031 1
1 821 . 19 1 1 A 64 64 ASP HA H 64 4.401 4.323 0.078 1
1 824 . 19 1 1 A 64 64 ASP C C 64 178.378 178.433 -0.055 1
1 825 . 19 1 1 A 64 64 ASP CA C 64 57.400 57.235 0.165 1
1 826 . 19 1 1 A 64 64 ASP CB C 64 40.703 41.888 -1.185 1
1 827 . 19 1 1 A 64 64 ASP N N 64 118.611 120.632 -2.021 1
1 828 . 19 1 1 A 65 65 LYS H H 65 7.755 7.718 0.037 1
1 829 . 19 1 1 A 65 65 LYS HA H 65 3.970 4.077 -0.107 1
1 838 . 19 1 1 A 65 65 LYS C C 65 179.922 179.321 0.601 1
1 839 . 19 1 1 A 65 65 LYS CA C 65 59.466 59.337 0.129 1
1 840 . 19 1 1 A 65 65 LYS CB C 65 32.372 32.410 -0.038 1
1 844 . 19 1 1 A 65 65 LYS N N 65 118.452 118.336 0.116 1
1 845 . 19 1 1 A 66 66 LEU H H 66 7.768 8.069 -0.301 1
1 846 . 19 1 1 A 66 66 LEU HA H 66 4.066 4.185 -0.119 1
1 856 . 19 1 1 A 66 66 LEU C C 66 177.557 179.471 -1.914 1
1 857 . 19 1 1 A 66 66 LEU CA C 66 57.550 56.792 0.758 1
1 858 . 19 1 1 A 66 66 LEU CB C 66 43.218 41.718 1.500 1
1 862 . 19 1 1 A 66 66 LEU N N 66 118.471 119.834 -1.363 1
1 863 . 19 1 1 A 67 67 ARG H H 67 8.017 8.261 -0.244 1
1 864 . 19 1 1 A 67 67 ARG HA H 67 3.855 4.231 -0.376 1
1 872 . 19 1 1 A 67 67 ARG C C 67 177.440 177.658 -0.218 1
1 873 . 19 1 1 A 67 67 ARG CA C 67 58.584 58.248 0.336 1
1 874 . 19 1 1 A 67 67 ARG CB C 67 30.313 29.857 0.456 1
1 877 . 19 1 1 A 67 67 ARG N N 67 115.702 119.823 -4.121 1
1 879 . 19 1 1 A 68 68 LYS H H 68 7.168 7.721 -0.553 1
1 880 . 19 1 1 A 68 68 LYS HA H 68 4.198 4.328 -0.130 1
1 889 . 19 1 1 A 68 68 LYS C C 68 176.502 177.151 -0.649 1
1 890 . 19 1 1 A 68 68 LYS CA C 68 56.149 57.435 -1.286 1
1 891 . 19 1 1 A 68 68 LYS CB C 68 32.725 32.879 -0.154 1
1 895 . 19 1 1 A 68 68 LYS N N 68 115.213 117.340 -2.127 1
1 896 . 19 1 1 A 69 69 VAL H H 69 7.348 7.280 0.068 1
1 897 . 19 1 1 A 69 69 VAL HA H 69 3.776 4.184 -0.408 1
1 905 . 19 1 1 A 69 69 VAL C C 69 175.916 177.725 -1.809 1
1 906 . 19 1 1 A 69 69 VAL CA C 69 63.134 63.215 -0.081 1
1 907 . 19 1 1 A 69 69 VAL CB C 69 31.075 31.515 -0.440 1
1 910 . 19 1 1 A 69 69 VAL N N 69 123.611 120.290 3.321 1
1 911 . 19 1 1 A 70 70 GLN H H 70 8.632 8.788 -0.156 1
1 912 . 19 1 1 A 70 70 GLN HA H 70 4.072 4.128 -0.056 1
1 919 . 19 1 1 A 70 70 GLN C C 70 176.151 177.950 -1.799 1
1 920 . 19 1 1 A 70 70 GLN CA C 70 57.800 58.123 -0.323 1
1 921 . 19 1 1 A 70 70 GLN CB C 70 28.100 28.185 -0.085 1
1 923 . 19 1 1 A 70 70 GLN N N 70 130.070 126.655 3.415 1
1 925 . 19 1 1 A 71 71 GLY H H 71 8.783 8.173 0.610 1
1 926 . 19 1 1 A 71 71 GLY HA2 H 71 4.598 4.044 0.554 1
1 927 . 19 1 1 A 71 71 GLY HA3 H 71 3.677 4.059 -0.382 1
1 928 . 19 1 1 A 71 71 GLY C C 71 173.924 174.376 -0.452 1
1 929 . 19 1 1 A 71 71 GLY CA C 71 44.941 45.813 -0.872 1
1 930 . 19 1 1 A 71 71 GLY N N 71 113.801 107.699 6.102 1
1 931 . 19 1 1 A 72 72 VAL H H 72 7.805 7.494 0.311 1
1 932 . 19 1 1 A 72 72 VAL HA H 72 3.723 3.728 -0.005 1
1 940 . 19 1 1 A 72 72 VAL C C 72 176.502 176.313 0.189 1
1 941 . 19 1 1 A 72 72 VAL CA C 72 64.020 62.466 1.554 1
1 942 . 19 1 1 A 72 72 VAL CB C 72 32.003 32.299 -0.296 1
1 945 . 19 1 1 A 72 72 VAL N N 72 120.334 120.333 0.001 1
1 946 . 19 1 1 A 73 73 PHE H H 73 9.522 7.784 1.738 1
1 947 . 19 1 1 A 73 73 PHE HA H 73 5.109 4.903 0.206 1
1 955 . 19 1 1 A 73 73 PHE C C 73 176.502 174.526 1.976 1
1 956 . 19 1 1 A 73 73 PHE CA C 73 56.354 56.596 -0.242 1
1 957 . 19 1 1 A 73 73 PHE CB C 73 39.615 40.624 -1.009 1
1 961 . 19 1 1 A 73 73 PHE N N 73 127.542 121.651 5.891 1
1 962 . 19 1 1 A 74 74 THR H H 74 7.972 7.401 0.571 1
1 963 . 19 1 1 A 74 74 THR HA H 74 4.736 4.909 -0.173 1
1 968 . 19 1 1 A 74 74 THR C C 74 172.400 173.514 -1.114 1
1 969 . 19 1 1 A 74 74 THR CA C 74 60.604 60.619 -0.015 1
1 970 . 19 1 1 A 74 74 THR CB C 74 72.576 71.086 1.490 1
1 972 . 19 1 1 A 74 74 THR N N 74 111.809 110.860 0.949 1
1 973 . 19 1 1 A 75 75 VAL H H 75 8.584 8.926 -0.342 1
1 974 . 19 1 1 A 75 75 VAL HA H 75 4.878 4.873 0.005 1
1 982 . 19 1 1 A 75 75 VAL C C 75 174.510 174.876 -0.366 1
1 983 . 19 1 1 A 75 75 VAL CA C 75 61.844 61.591 0.253 1
1 984 . 19 1 1 A 75 75 VAL CB C 75 34.500 34.029 0.471 1
1 987 . 19 1 1 A 75 75 VAL N N 75 122.820 125.626 -2.806 1
1 988 . 19 1 1 A 76 76 GLU H H 76 9.029 8.983 0.046 1
1 989 . 19 1 1 A 76 76 GLU HA H 76 4.861 5.016 -0.155 1
1 994 . 19 1 1 A 76 76 GLU C C 76 174.510 174.840 -0.330 1
1 995 . 19 1 1 A 76 76 GLU CA C 76 53.757 54.287 -0.530 1
1 996 . 19 1 1 A 76 76 GLU CB C 76 34.230 33.660 0.570 1
1 998 . 19 1 1 A 76 76 GLU N N 76 124.572 124.320 0.252 1
1 999 . 19 1 1 A 77 77 ARG H H 77 8.962 8.542 0.420 1
1 1000 . 19 1 1 A 77 77 ARG HA H 77 4.736 4.540 0.196 1
1 1008 . 19 1 1 A 77 77 ARG C C 77 176.502 175.917 0.585 1
1 1009 . 19 1 1 A 77 77 ARG CA C 77 55.521 56.362 -0.841 1
1 1010 . 19 1 1 A 77 77 ARG CB C 77 30.893 31.351 -0.458 1
1 1013 . 19 1 1 A 77 77 ARG N N 77 122.875 124.540 -1.665 1
1 1015 . 19 1 1 A 78 78 LEU H H 78 8.252 9.161 -0.909 1
1 1016 . 19 1 1 A 78 78 LEU HA H 78 4.505 4.632 -0.127 1
1 1026 . 19 1 1 A 78 78 LEU C C 78 176.737 178.048 -1.311 1
1 1027 . 19 1 1 A 78 78 LEU CA C 78 53.875 54.212 -0.337 1
1 1028 . 19 1 1 A 78 78 LEU CB C 78 43.228 41.773 1.455 1
1 1032 . 19 1 1 A 78 78 LEU N N 78 127.062 126.750 0.312 1
1 1033 . 19 1 1 A 79 79 SER H H 79 8.635 8.893 -0.258 1
1 1034 . 19 1 1 A 79 79 SER HA H 79 4.492 4.419 0.073 1
1 1037 . 19 1 1 A 79 79 SER C C 79 174.041 174.386 -0.345 1
1 1038 . 19 1 1 A 79 79 SER CA C 79 58.465 60.457 -1.992 1
1 1039 . 19 1 1 A 79 79 SER CB C 79 63.993 63.081 0.912 1
1 1040 . 19 1 1 A 79 79 SER N N 79 118.446 118.647 -0.201 1
1 1041 . 19 1 1 A 80 80 ASN H H 80 8.421 8.025 0.396 1
1 1042 . 19 1 1 A 80 80 ASN HA H 80 4.668 4.834 -0.166 1
1 1047 . 19 1 1 A 80 80 ASN C C 80 175.096 174.277 0.819 1
1 1048 . 19 1 1 A 80 80 ASN CA C 80 53.300 52.984 0.316 1
1 1049 . 19 1 1 A 80 80 ASN CB C 80 38.300 39.057 -0.757 1
1 1050 . 19 1 1 A 80 80 ASN N N 80 119.339 118.622 0.717 1
1 1052 . 19 1 1 A 81 81 LEU H H 81 8.256 9.011 -0.755 1
1 1053 . 19 1 1 A 81 81 LEU HA H 81 4.258 4.954 -0.696 1
1 1063 . 19 1 1 A 81 81 LEU C C 81 177.323 177.785 -0.462 1
1 1064 . 19 1 1 A 81 81 LEU CA C 81 55.263 53.488 1.775 1
1 1065 . 19 1 1 A 81 81 LEU CB C 81 41.756 43.878 -2.122 1
1 1069 . 19 1 1 A 81 81 LEU N N 81 121.238 125.934 -4.696 1
1 1070 . 19 1 1 A 82 82 GLU H H 82 8.282 8.974 -0.692 1
1 1071 . 19 1 1 A 82 82 GLU HA H 82 4.169 4.236 -0.067 1
1 1076 . 19 1 1 A 82 82 GLU C C 82 176.385 176.357 0.028 1
1 1077 . 19 1 1 A 82 82 GLU CA C 82 56.762 56.683 0.079 1
1 1078 . 19 1 1 A 82 82 GLU CB C 82 29.997 29.061 0.936 1
1 1080 . 19 1 1 A 82 82 GLU N N 82 120.037 120.088 -0.051 1
1 1081 . 19 1 1 A 83 83 HIS H H 83 8.195 7.931 0.264 1
1 1082 . 19 1 1 A 83 83 HIS HA H 83 4.535 4.583 -0.048 1
1 1087 . 19 1 1 A 83 83 HIS C C 83 175.081 174.317 0.764 1
1 1088 . 19 1 1 A 83 83 HIS CA C 83 55.951 55.166 0.785 1
1 1089 . 19 1 1 A 83 83 HIS CB C 83 30.366 28.112 2.254 1
1 1 . 20 1 1 A 2 2 THR HA H 2 3.782 5.287 -1.505 1
1 6 . 20 1 1 A 2 2 THR C C 2 171.502 172.790 -1.288 1
1 7 . 20 1 1 A 2 2 THR CA C 2 61.906 59.790 2.116 1
1 8 . 20 1 1 A 2 2 THR CB C 2 69.449 73.062 -3.613 1
1 10 . 20 1 1 A 3 3 ASP H H 3 8.636 9.054 -0.418 1
1 11 . 20 1 1 A 3 3 ASP HA H 3 4.803 5.696 -0.893 1
1 14 . 20 1 1 A 3 3 ASP C C 3 175.330 175.088 0.242 1
1 15 . 20 1 1 A 3 3 ASP CA C 3 54.454 53.321 1.133 1
1 16 . 20 1 1 A 3 3 ASP CB C 3 41.426 45.241 -3.815 1
1 17 . 20 1 1 A 3 3 ASP N N 3 125.850 120.412 5.438 1
1 18 . 20 1 1 A 4 4 PHE H H 4 8.608 8.788 -0.180 1
1 19 . 20 1 1 A 4 4 PHE HA H 4 5.042 5.663 -0.621 1
1 27 . 20 1 1 A 4 4 PHE C C 4 172.986 172.808 0.178 1
1 28 . 20 1 1 A 4 4 PHE CA C 4 55.505 55.258 0.247 1
1 29 . 20 1 1 A 4 4 PHE CB C 4 41.288 42.452 -1.164 1
1 33 . 20 1 1 A 4 4 PHE N N 4 117.566 118.640 -1.074 1
1 34 . 20 1 1 A 5 5 LEU H H 5 8.498 8.536 -0.038 1
1 35 . 20 1 1 A 5 5 LEU HA H 5 4.532 3.894 0.638 1
1 45 . 20 1 1 A 5 5 LEU C C 5 175.330 174.527 0.803 1
1 46 . 20 1 1 A 5 5 LEU CA C 5 54.222 53.691 0.531 1
1 47 . 20 1 1 A 5 5 LEU CB C 5 42.932 42.411 0.521 1
1 51 . 20 1 1 A 5 5 LEU N N 5 123.329 122.400 0.929 1
1 52 . 20 1 1 A 6 6 ALA H H 6 9.325 8.885 0.440 1
1 53 . 20 1 1 A 6 6 ALA HA H 6 4.769 5.293 -0.524 1
1 57 . 20 1 1 A 6 6 ALA C C 6 174.744 177.136 -2.392 1
1 58 . 20 1 1 A 6 6 ALA CA C 6 50.500 50.790 -0.290 1
1 59 . 20 1 1 A 6 6 ALA CB C 6 23.746 20.646 3.100 1
1 60 . 20 1 1 A 6 6 ALA N N 6 129.530 130.512 -0.982 1
1 61 . 20 1 1 A 7 7 GLY H H 7 8.639 8.847 -0.208 1
1 62 . 20 1 1 A 7 7 GLY HA2 H 7 5.721 4.252 1.469 1
1 63 . 20 1 1 A 7 7 GLY HA3 H 7 3.508 4.260 -0.752 1
1 64 . 20 1 1 A 7 7 GLY C C 7 173.221 171.966 1.255 1
1 65 . 20 1 1 A 7 7 GLY CA C 7 45.351 43.787 1.564 1
1 66 . 20 1 1 A 7 7 GLY N N 7 106.888 110.240 -3.352 1
1 67 . 20 1 1 A 8 8 ILE H H 8 9.356 9.038 0.318 1
1 68 . 20 1 1 A 8 8 ILE HA H 8 4.957 5.102 -0.145 1
1 78 . 20 1 1 A 8 8 ILE C C 8 172.986 173.769 -0.783 1
1 79 . 20 1 1 A 8 8 ILE CA C 8 59.551 59.769 -0.218 1
1 80 . 20 1 1 A 8 8 ILE CB C 8 43.405 41.917 1.488 1
1 84 . 20 1 1 A 8 8 ILE N N 8 122.820 122.990 -0.170 1
1 85 . 20 1 1 A 9 9 ARG H H 9 9.364 9.456 -0.092 1
1 86 . 20 1 1 A 9 9 ARG HA H 9 5.609 5.095 0.514 1
1 94 . 20 1 1 A 9 9 ARG C C 9 175.096 174.639 0.457 1
1 95 . 20 1 1 A 9 9 ARG CA C 9 54.192 54.430 -0.238 1
1 96 . 20 1 1 A 9 9 ARG CB C 9 33.400 33.408 -0.008 1
1 99 . 20 1 1 A 9 9 ARG N N 9 126.323 128.024 -1.701 1
1 101 . 20 1 1 A 10 10 ILE H H 10 9.479 9.230 0.249 1
1 102 . 20 1 1 A 10 10 ILE HA H 10 5.089 4.876 0.213 1
1 112 . 20 1 1 A 10 10 ILE C C 10 174.275 174.689 -0.414 1
1 113 . 20 1 1 A 10 10 ILE CA C 10 60.127 59.876 0.251 1
1 114 . 20 1 1 A 10 10 ILE CB C 10 42.651 39.294 3.357 1
1 118 . 20 1 1 A 10 10 ILE N N 10 128.583 127.629 0.954 1
1 119 . 20 1 1 A 11 11 VAL H H 11 8.581 8.837 -0.256 1
1 120 . 20 1 1 A 11 11 VAL HA H 11 4.793 4.982 -0.189 1
1 128 . 20 1 1 A 11 11 VAL C C 11 175.827 174.576 1.251 1
1 129 . 20 1 1 A 11 11 VAL CA C 11 60.201 60.338 -0.137 1
1 130 . 20 1 1 A 11 11 VAL CB C 11 34.522 33.900 0.622 1
1 133 . 20 1 1 A 11 11 VAL N N 11 126.323 127.978 -1.655 1
1 134 . 20 1 1 A 12 12 GLY H H 12 7.713 7.282 0.431 1
1 135 . 20 1 1 A 12 12 GLY HA2 H 12 3.434 3.031 0.403 1
1 136 . 20 1 1 A 12 12 GLY HA3 H 12 3.563 3.780 -0.217 1
1 137 . 20 1 1 A 12 12 GLY C C 12 170.332 172.648 -2.316 1
1 138 . 20 1 1 A 12 12 GLY CA C 12 45.842 43.710 2.132 1
1 139 . 20 1 1 A 12 12 GLY N N 12 113.216 113.234 -0.018 1
1 140 . 20 1 1 A 13 13 GLU H H 13 8.180 8.216 -0.036 1
1 141 . 20 1 1 A 13 13 GLU HA H 13 4.387 4.401 -0.014 1
1 146 . 20 1 1 A 13 13 GLU C C 13 175.409 175.644 -0.235 1
1 147 . 20 1 1 A 13 13 GLU CA C 13 55.865 56.709 -0.844 1
1 148 . 20 1 1 A 13 13 GLU CB C 13 31.102 30.148 0.954 1
1 150 . 20 1 1 A 13 13 GLU N N 13 119.035 118.299 0.736 1
1 151 . 20 1 1 A 14 14 ASP H H 14 8.095 8.913 -0.818 1
1 152 . 20 1 1 A 14 14 ASP HA H 14 4.888 4.779 0.109 1
1 155 . 20 1 1 A 14 14 ASP C C 14 174.991 174.628 0.363 1
1 156 . 20 1 1 A 14 14 ASP CA C 14 52.473 53.997 -1.524 1
1 157 . 20 1 1 A 14 14 ASP CB C 14 40.364 40.523 -0.159 1
1 158 . 20 1 1 A 14 14 ASP N N 14 122.877 124.115 -1.238 1
1 159 . 20 1 1 A 15 15 LYS H H 15 7.345 8.265 -0.920 1
1 160 . 20 1 1 A 15 15 LYS HA H 15 4.550 4.666 -0.116 1
1 169 . 20 1 1 A 15 15 LYS C C 15 176.385 176.762 -0.377 1
1 170 . 20 1 1 A 15 15 LYS CA C 15 54.554 55.388 -0.834 1
1 171 . 20 1 1 A 15 15 LYS CB C 15 35.403 33.596 1.807 1
1 175 . 20 1 1 A 15 15 LYS N N 15 120.221 126.736 -6.515 1
1 176 . 20 1 1 A 16 16 ASN H H 16 9.025 8.956 0.069 1
1 177 . 20 1 1 A 16 16 ASN HA H 16 4.386 4.315 0.071 1
1 182 . 20 1 1 A 16 16 ASN C C 16 175.916 175.248 0.668 1
1 183 . 20 1 1 A 16 16 ASN CA C 16 54.966 55.558 -0.592 1
1 184 . 20 1 1 A 16 16 ASN CB C 16 37.810 37.022 0.788 1
1 185 . 20 1 1 A 16 16 ASN N N 16 119.785 118.289 1.496 1
1 187 . 20 1 1 A 17 17 GLY H H 17 8.780 8.576 0.204 1
1 188 . 20 1 1 A 17 17 GLY HA2 H 17 4.125 4.057 0.068 1
1 189 . 20 1 1 A 17 17 GLY HA3 H 17 3.970 4.074 -0.104 1
1 190 . 20 1 1 A 17 17 GLY C C 17 176.151 175.341 0.810 1
1 191 . 20 1 1 A 17 17 GLY CA C 17 45.996 45.601 0.395 1
1 192 . 20 1 1 A 17 17 GLY N N 17 110.504 106.394 4.110 1
1 193 . 20 1 1 A 18 18 MET H H 18 7.989 8.224 -0.235 1
1 194 . 20 1 1 A 18 18 MET HA H 18 4.359 4.096 0.263 1
1 202 . 20 1 1 A 18 18 MET C C 18 178.589 177.974 0.615 1
1 203 . 20 1 1 A 18 18 MET CA C 18 57.405 58.123 -0.718 1
1 204 . 20 1 1 A 18 18 MET CB C 18 31.847 33.455 -1.608 1
1 207 . 20 1 1 A 18 18 MET N N 18 121.860 119.606 2.254 1
1 208 . 20 1 1 A 19 19 THR H H 19 8.807 7.951 0.856 1
1 209 . 20 1 1 A 19 19 THR HA H 19 3.233 3.452 -0.219 1
1 215 . 20 1 1 A 19 19 THR C C 19 177.909 177.022 0.887 1
1 216 . 20 1 1 A 19 19 THR CA C 19 65.516 65.483 0.033 1
1 217 . 20 1 1 A 19 19 THR CB C 19 67.000 67.936 -0.936 1
1 219 . 20 1 1 A 19 19 THR N N 19 111.351 111.833 -0.482 1
1 220 . 20 1 1 A 20 20 ASN H H 20 7.936 7.873 0.063 1
1 221 . 20 1 1 A 20 20 ASN HA H 20 4.083 4.427 -0.344 1
1 226 . 20 1 1 A 20 20 ASN C C 20 176.854 177.615 -0.761 1
1 227 . 20 1 1 A 20 20 ASN CA C 20 57.669 55.690 1.979 1
1 228 . 20 1 1 A 20 20 ASN CB C 20 36.625 38.423 -1.798 1
1 229 . 20 1 1 A 20 20 ASN N N 20 121.577 120.305 1.272 1
1 231 . 20 1 1 A 21 21 GLN H H 21 8.433 7.921 0.512 1
1 232 . 20 1 1 A 21 21 GLN HA H 21 4.046 4.033 0.013 1
1 239 . 20 1 1 A 21 21 GLN C C 21 179.550 178.374 1.176 1
1 240 . 20 1 1 A 21 21 GLN CA C 21 59.187 58.566 0.621 1
1 241 . 20 1 1 A 21 21 GLN CB C 21 28.512 27.847 0.665 1
1 243 . 20 1 1 A 21 21 GLN N N 21 120.250 117.477 2.773 1
1 245 . 20 1 1 A 22 22 ILE H H 22 8.779 8.294 0.485 1
1 246 . 20 1 1 A 22 22 ILE HA H 22 3.823 3.658 0.165 1
1 256 . 20 1 1 A 22 22 ILE C C 22 176.854 177.785 -0.931 1
1 257 . 20 1 1 A 22 22 ILE CA C 22 61.611 65.621 -4.010 1
1 258 . 20 1 1 A 22 22 ILE CB C 22 36.935 38.218 -1.283 1
1 262 . 20 1 1 A 22 22 ILE N N 22 119.497 121.280 -1.783 1
1 263 . 20 1 1 A 23 23 THR H H 23 7.478 8.019 -0.541 1
1 264 . 20 1 1 A 23 23 THR HA H 23 3.523 3.901 -0.378 1
1 270 . 20 1 1 A 23 23 THR C C 23 176.502 176.716 -0.214 1
1 271 . 20 1 1 A 23 23 THR CA C 23 67.006 66.343 0.663 1
1 272 . 20 1 1 A 23 23 THR CB C 23 67.305 68.399 -1.094 1
1 274 . 20 1 1 A 23 23 THR N N 23 115.702 115.932 -0.230 1
1 275 . 20 1 1 A 24 24 GLY H H 24 8.011 8.178 -0.167 1
1 276 . 20 1 1 A 24 24 GLY HA2 H 24 3.880 3.679 0.201 1
1 277 . 20 1 1 A 24 24 GLY HA3 H 24 3.672 3.685 -0.013 1
1 278 . 20 1 1 A 24 24 GLY C C 24 176.385 175.572 0.813 1
1 279 . 20 1 1 A 24 24 GLY CA C 24 47.163 47.286 -0.123 1
1 280 . 20 1 1 A 24 24 GLY N N 24 110.691 107.992 2.699 1
1 281 . 20 1 1 A 25 25 VAL H H 25 7.898 8.482 -0.584 1
1 282 . 20 1 1 A 25 25 VAL HA H 25 3.473 3.627 -0.154 1
1 290 . 20 1 1 A 25 25 VAL C C 25 178.286 177.449 0.837 1
1 291 . 20 1 1 A 25 25 VAL CA C 25 66.432 65.744 0.688 1
1 292 . 20 1 1 A 25 25 VAL CB C 25 31.925 31.603 0.322 1
1 295 . 20 1 1 A 25 25 VAL N N 25 123.276 122.199 1.077 1
1 296 . 20 1 1 A 26 26 ILE H H 26 7.646 7.733 -0.087 1
1 297 . 20 1 1 A 26 26 ILE HA H 26 2.698 1.868 0.830 1
1 307 . 20 1 1 A 26 26 ILE C C 26 177.440 177.428 0.012 1
1 308 . 20 1 1 A 26 26 ILE CA C 26 64.163 64.520 -0.357 1
1 309 . 20 1 1 A 26 26 ILE CB C 26 37.876 37.469 0.407 1
1 313 . 20 1 1 A 26 26 ILE N N 26 116.606 120.204 -3.598 1
1 314 . 20 1 1 A 27 27 SER H H 27 7.783 7.999 -0.216 1
1 315 . 20 1 1 A 27 27 SER HA H 27 3.908 3.985 -0.077 1
1 319 . 20 1 1 A 27 27 SER C C 27 175.330 175.671 -0.341 1
1 320 . 20 1 1 A 27 27 SER CA C 27 61.465 62.240 -0.775 1
1 321 . 20 1 1 A 27 27 SER CB C 27 63.388 63.068 0.320 1
1 322 . 20 1 1 A 27 27 SER N N 27 112.932 116.431 -3.499 1
1 323 . 20 1 1 A 28 28 LYS H H 28 7.008 7.406 -0.398 1
1 324 . 20 1 1 A 28 28 LYS HA H 28 4.234 4.351 -0.117 1
1 333 . 20 1 1 A 28 28 LYS C C 28 177.323 176.319 1.004 1
1 334 . 20 1 1 A 28 28 LYS CA C 28 56.161 56.009 0.152 1
1 335 . 20 1 1 A 28 28 LYS CB C 28 32.742 31.787 0.955 1
1 339 . 20 1 1 A 28 28 LYS N N 28 118.978 115.128 3.850 1
1 340 . 20 1 1 A 29 29 PHE H H 29 7.691 7.497 0.194 1
1 341 . 20 1 1 A 29 29 PHE HA H 29 4.576 4.540 0.036 1
1 349 . 20 1 1 A 29 29 PHE C C 29 175.841 175.297 0.544 1
1 350 . 20 1 1 A 29 29 PHE CA C 29 56.366 58.369 -2.003 1
1 351 . 20 1 1 A 29 29 PHE CB C 29 38.723 40.133 -1.410 1
1 355 . 20 1 1 A 29 29 PHE N N 29 120.755 120.845 -0.090 1
1 356 . 20 1 1 A 30 30 ASP H H 30 8.388 8.896 -0.508 1
1 357 . 20 1 1 A 30 30 ASP HA H 30 4.650 4.861 -0.211 1
1 360 . 20 1 1 A 30 30 ASP C C 30 175.096 175.211 -0.115 1
1 361 . 20 1 1 A 30 30 ASP CA C 30 53.331 53.230 0.101 1
1 362 . 20 1 1 A 30 30 ASP CB C 30 38.691 40.462 -1.771 1
1 363 . 20 1 1 A 30 30 ASP N N 30 122.230 121.946 0.284 1
1 364 . 20 1 1 A 31 31 THR H H 31 7.663 7.630 0.033 1
1 365 . 20 1 1 A 31 31 THR HA H 31 4.558 4.722 -0.164 1
1 370 . 20 1 1 A 31 31 THR C C 31 173.297 172.719 0.578 1
1 371 . 20 1 1 A 31 31 THR CA C 31 59.333 60.459 -1.126 1
1 372 . 20 1 1 A 31 31 THR CB C 31 70.319 70.847 -0.528 1
1 374 . 20 1 1 A 31 31 THR N N 31 112.538 114.877 -2.339 1
1 375 . 20 1 1 A 32 32 ASN H H 32 8.308 8.763 -0.455 1
1 376 . 20 1 1 A 32 32 ASN HA H 32 4.910 5.120 -0.210 1
1 381 . 20 1 1 A 32 32 ASN C C 32 175.447 175.036 0.411 1
1 382 . 20 1 1 A 32 32 ASN CA C 32 52.732 52.918 -0.186 1
1 383 . 20 1 1 A 32 32 ASN CB C 32 39.337 39.316 0.021 1
1 384 . 20 1 1 A 32 32 ASN N N 32 121.973 122.333 -0.360 1
1 386 . 20 1 1 A 33 33 ILE H H 33 8.320 8.887 -0.567 1
1 387 . 20 1 1 A 33 33 ILE HA H 33 3.846 4.132 -0.286 1
1 397 . 20 1 1 A 33 33 ILE C C 33 175.230 175.834 -0.604 1
1 398 . 20 1 1 A 33 33 ILE CA C 33 63.300 62.488 0.812 1
1 399 . 20 1 1 A 33 33 ILE CB C 33 39.167 36.901 2.266 1
1 403 . 20 1 1 A 33 33 ILE N N 33 125.984 125.568 0.416 1
1 404 . 20 1 1 A 34 34 ARG H H 34 8.858 8.951 -0.093 1
1 405 . 20 1 1 A 34 34 ARG HA H 34 4.538 4.503 0.035 1
1 413 . 20 1 1 A 34 34 ARG C C 34 175.565 176.503 -0.938 1
1 414 . 20 1 1 A 34 34 ARG CA C 34 54.900 57.541 -2.641 1
1 415 . 20 1 1 A 34 34 ARG CB C 34 30.275 31.319 -1.044 1
1 418 . 20 1 1 A 34 34 ARG N N 34 126.537 129.966 -3.429 1
1 420 . 20 1 1 A 35 35 THR H H 35 7.698 7.537 0.161 1
1 421 . 20 1 1 A 35 35 THR HA H 35 5.311 4.997 0.314 1
1 426 . 20 1 1 A 35 35 THR C C 35 173.807 172.603 1.204 1
1 427 . 20 1 1 A 35 35 THR CA C 35 61.040 61.062 -0.022 1
1 428 . 20 1 1 A 35 35 THR CB C 35 74.055 73.611 0.444 1
1 430 . 20 1 1 A 35 35 THR N N 35 111.895 112.065 -0.170 1
1 431 . 20 1 1 A 36 36 ILE H H 36 8.907 8.608 0.299 1
1 432 . 20 1 1 A 36 36 ILE HA H 36 4.753 5.210 -0.457 1
1 442 . 20 1 1 A 36 36 ILE C C 36 174.275 173.418 0.857 1
1 443 . 20 1 1 A 36 36 ILE CA C 36 61.400 60.170 1.230 1
1 444 . 20 1 1 A 36 36 ILE CB C 36 42.569 41.456 1.113 1
1 448 . 20 1 1 A 36 36 ILE N N 36 123.257 123.432 -0.175 1
1 449 . 20 1 1 A 37 37 VAL H H 37 8.933 9.017 -0.084 1
1 450 . 20 1 1 A 37 37 VAL HA H 37 4.903 4.618 0.285 1
1 458 . 20 1 1 A 37 37 VAL C C 37 174.684 173.991 0.693 1
1 459 . 20 1 1 A 37 37 VAL CA C 37 62.100 61.566 0.534 1
1 460 . 20 1 1 A 37 37 VAL CB C 37 34.186 34.084 0.102 1
1 463 . 20 1 1 A 37 37 VAL N N 37 126.323 128.898 -2.575 1
1 464 . 20 1 1 A 38 38 LEU H H 38 9.751 8.992 0.759 1
1 465 . 20 1 1 A 38 38 LEU HA H 38 5.636 5.426 0.210 1
1 475 . 20 1 1 A 38 38 LEU C C 38 174.510 175.204 -0.694 1
1 476 . 20 1 1 A 38 38 LEU CA C 38 53.810 53.747 0.063 1
1 477 . 20 1 1 A 38 38 LEU CB C 38 45.655 44.837 0.818 1
1 481 . 20 1 1 A 38 38 LEU N N 38 133.332 129.961 3.371 1
1 482 . 20 1 1 A 39 39 ASN H H 39 8.952 8.889 0.063 1
1 483 . 20 1 1 A 39 39 ASN HA H 39 5.450 5.531 -0.081 1
1 488 . 20 1 1 A 39 39 ASN C C 39 172.869 173.424 -0.555 1
1 489 . 20 1 1 A 39 39 ASN CA C 39 53.137 51.592 1.545 1
1 490 . 20 1 1 A 39 39 ASN CB C 39 43.287 42.545 0.742 1
1 491 . 20 1 1 A 39 39 ASN N N 39 123.262 123.410 -0.148 1
1 493 . 20 1 1 A 40 40 ALA H H 40 8.467 9.004 -0.537 1
1 494 . 20 1 1 A 40 40 ALA HA H 40 5.345 5.559 -0.214 1
1 498 . 20 1 1 A 40 40 ALA C C 40 175.447 176.853 -1.406 1
1 499 . 20 1 1 A 40 40 ALA CA C 40 51.370 50.646 0.724 1
1 500 . 20 1 1 A 40 40 ALA CB C 40 20.975 21.110 -0.135 1
1 501 . 20 1 1 A 40 40 ALA N N 40 127.058 125.278 1.780 1
1 502 . 20 1 1 A 41 41 LYS H H 41 8.865 8.881 -0.016 1
1 503 . 20 1 1 A 41 41 LYS HA H 41 4.435 4.899 -0.464 1
1 512 . 20 1 1 A 41 41 LYS C C 41 175.565 175.309 0.256 1
1 513 . 20 1 1 A 41 41 LYS CA C 41 56.736 55.026 1.710 1
1 514 . 20 1 1 A 41 41 LYS CB C 41 34.811 35.875 -1.064 1
1 518 . 20 1 1 A 41 41 LYS N N 41 121.996 120.247 1.749 1
1 519 . 20 1 1 A 42 42 ASP H H 42 9.197 9.566 -0.369 1
1 520 . 20 1 1 A 42 42 ASP HA H 42 4.373 4.308 0.065 1
1 523 . 20 1 1 A 42 42 ASP C C 42 175.447 175.298 0.149 1
1 524 . 20 1 1 A 42 42 ASP CA C 42 55.547 55.054 0.493 1
1 525 . 20 1 1 A 42 42 ASP CB C 42 39.485 39.763 -0.278 1
1 526 . 20 1 1 A 42 42 ASP N N 42 122.213 120.018 2.195 1
1 527 . 20 1 1 A 43 43 GLY H H 43 9.306 8.529 0.777 1
1 528 . 20 1 1 A 43 43 GLY HA2 H 43 4.443 3.882 0.561 1
1 529 . 20 1 1 A 43 43 GLY HA3 H 43 3.816 3.885 -0.069 1
1 530 . 20 1 1 A 43 43 GLY C C 43 174.979 173.702 1.277 1
1 531 . 20 1 1 A 43 43 GLY CA C 43 45.661 45.573 0.088 1
1 532 . 20 1 1 A 43 43 GLY N N 43 104.610 103.997 0.613 1
1 533 . 20 1 1 A 44 44 ILE H H 44 8.117 8.203 -0.086 1
1 534 . 20 1 1 A 44 44 ILE HA H 44 5.112 4.771 0.341 1
1 544 . 20 1 1 A 44 44 ILE C C 44 175.213 174.947 0.266 1
1 545 . 20 1 1 A 44 44 ILE CA C 44 59.040 59.688 -0.648 1
1 546 . 20 1 1 A 44 44 ILE CB C 44 42.013 40.483 1.530 1
1 550 . 20 1 1 A 44 44 ILE N N 44 122.284 122.136 0.148 1
1 551 . 20 1 1 A 45 45 PHE H H 45 8.955 8.583 0.372 1
1 552 . 20 1 1 A 45 45 PHE HA H 45 5.740 5.566 0.174 1
1 560 . 20 1 1 A 45 45 PHE C C 45 172.283 172.417 -0.134 1
1 561 . 20 1 1 A 45 45 PHE CA C 45 55.872 55.794 0.078 1
1 562 . 20 1 1 A 45 45 PHE CB C 45 42.740 42.944 -0.204 1
1 566 . 20 1 1 A 45 45 PHE N N 45 121.747 119.585 2.162 1
1 567 . 20 1 1 A 46 46 THR H H 46 8.659 9.185 -0.526 1
1 568 . 20 1 1 A 46 46 THR HA H 46 5.111 5.277 -0.166 1
1 574 . 20 1 1 A 46 46 THR C C 46 174.041 172.241 1.800 1
1 575 . 20 1 1 A 46 46 THR CA C 46 59.750 59.990 -0.240 1
1 576 . 20 1 1 A 46 46 THR CB C 46 71.380 71.078 0.302 1
1 578 . 20 1 1 A 46 46 THR N N 46 113.420 115.237 -1.817 1
1 579 . 20 1 1 A 47 47 CYS H H 47 9.619 9.481 0.138 1
1 580 . 20 1 1 A 47 47 CYS HA H 47 5.562 5.049 0.513 1
1 584 . 20 1 1 A 47 47 CYS C C 47 172.283 173.163 -0.880 1
1 585 . 20 1 1 A 47 47 CYS CA C 47 56.776 57.294 -0.518 1
1 586 . 20 1 1 A 47 47 CYS CB C 47 29.112 29.375 -0.263 1
1 587 . 20 1 1 A 47 47 CYS N N 47 124.781 130.222 -5.441 1
1 588 . 20 1 1 A 48 48 ASN H H 48 9.293 9.407 -0.114 1
1 589 . 20 1 1 A 48 48 ASN HA H 48 5.629 5.367 0.262 1
1 594 . 20 1 1 A 48 48 ASN C C 48 173.455 173.870 -0.415 1
1 595 . 20 1 1 A 48 48 ASN CA C 48 51.962 52.483 -0.521 1
1 596 . 20 1 1 A 48 48 ASN CB C 48 40.059 39.248 0.811 1
1 597 . 20 1 1 A 48 48 ASN N N 48 129.520 125.754 3.766 1
1 599 . 20 1 1 A 49 49 LEU H H 49 9.435 9.214 0.221 1
1 600 . 20 1 1 A 49 49 LEU HA H 49 5.158 4.957 0.201 1
1 610 . 20 1 1 A 49 49 LEU C C 49 174.510 174.565 -0.055 1
1 611 . 20 1 1 A 49 49 LEU CA C 49 53.178 53.661 -0.483 1
1 612 . 20 1 1 A 49 49 LEU CB C 49 46.402 44.711 1.691 1
1 616 . 20 1 1 A 49 49 LEU N N 49 125.541 127.199 -1.658 1
1 617 . 20 1 1 A 50 50 MET H H 50 8.978 9.031 -0.053 1
1 618 . 20 1 1 A 50 50 MET HA H 50 5.723 5.378 0.345 1
1 626 . 20 1 1 A 50 50 MET C C 50 175.682 174.827 0.855 1
1 627 . 20 1 1 A 50 50 MET CA C 50 54.073 54.362 -0.289 1
1 628 . 20 1 1 A 50 50 MET CB C 50 33.643 35.195 -1.552 1
1 631 . 20 1 1 A 50 50 MET N N 50 123.131 124.958 -1.827 1
1 632 . 20 1 1 A 51 51 ILE H H 51 9.056 8.952 0.104 1
1 633 . 20 1 1 A 51 51 ILE HA H 51 5.044 5.040 0.004 1
1 643 . 20 1 1 A 51 51 ILE C C 51 173.689 173.977 -0.288 1
1 644 . 20 1 1 A 51 51 ILE CA C 51 58.495 59.074 -0.579 1
1 645 . 20 1 1 A 51 51 ILE CB C 51 41.447 42.327 -0.880 1
1 649 . 20 1 1 A 51 51 ILE N N 51 118.753 118.574 0.179 1
1 650 . 20 1 1 A 52 52 PHE H H 52 8.324 8.954 -0.630 1
1 651 . 20 1 1 A 52 52 PHE HA H 52 5.345 5.083 0.262 1
1 659 . 20 1 1 A 52 52 PHE C C 52 176.084 175.523 0.561 1
1 660 . 20 1 1 A 52 52 PHE CA C 52 56.478 57.365 -0.887 1
1 661 . 20 1 1 A 52 52 PHE CB C 52 40.520 41.107 -0.587 1
1 665 . 20 1 1 A 52 52 PHE N N 52 120.910 121.943 -1.033 1
1 666 . 20 1 1 A 53 53 VAL H H 53 8.865 8.139 0.726 1
1 667 . 20 1 1 A 53 53 VAL HA H 53 4.663 4.607 0.056 1
1 675 . 20 1 1 A 53 53 VAL C C 53 174.812 175.896 -1.084 1
1 676 . 20 1 1 A 53 53 VAL CA C 53 58.881 59.120 -0.239 1
1 677 . 20 1 1 A 53 53 VAL CB C 53 35.707 35.297 0.410 1
1 680 . 20 1 1 A 53 53 VAL N N 53 118.244 115.340 2.904 1
1 681 . 20 1 1 A 54 54 LYS H H 54 8.335 8.673 -0.338 1
1 682 . 20 1 1 A 54 54 LYS HA H 54 4.324 4.632 -0.308 1
1 691 . 20 1 1 A 54 54 LYS C C 54 176.655 176.699 -0.044 1
1 692 . 20 1 1 A 54 54 LYS CA C 54 58.039 58.169 -0.130 1
1 693 . 20 1 1 A 54 54 LYS CB C 54 33.974 32.540 1.434 1
1 697 . 20 1 1 A 54 54 LYS N N 54 120.334 121.057 -0.723 1
1 698 . 20 1 1 A 55 55 ASN H H 55 7.235 7.721 -0.486 1
1 699 . 20 1 1 A 55 55 ASN HA H 55 4.888 5.449 -0.561 1
1 704 . 20 1 1 A 55 55 ASN C C 55 175.083 175.284 -0.201 1
1 705 . 20 1 1 A 55 55 ASN CA C 55 52.173 51.900 0.273 1
1 706 . 20 1 1 A 55 55 ASN CB C 55 39.333 41.058 -1.725 1
1 707 . 20 1 1 A 55 55 ASN N N 55 108.018 114.227 -6.209 1
1 709 . 20 1 1 A 56 56 THR H H 56 8.865 8.776 0.089 1
1 710 . 20 1 1 A 56 56 THR HA H 56 4.036 4.181 -0.145 1
1 715 . 20 1 1 A 56 56 THR C C 56 178.637 176.341 2.296 1
1 716 . 20 1 1 A 56 56 THR CA C 56 65.800 66.125 -0.325 1
1 717 . 20 1 1 A 56 56 THR CB C 56 68.341 68.316 0.025 1
1 719 . 20 1 1 A 56 56 THR N N 56 113.338 113.801 -0.463 1
1 720 . 20 1 1 A 57 57 ASP H H 57 8.384 8.503 -0.119 1
1 721 . 20 1 1 A 57 57 ASP HA H 57 4.467 4.409 0.058 1
1 724 . 20 1 1 A 57 57 ASP CA C 57 57.400 57.574 -0.174 1
1 725 . 20 1 1 A 57 57 ASP CB C 57 39.938 42.297 -2.359 1
1 726 . 20 1 1 A 57 57 ASP N N 57 124.402 121.675 2.727 1
1 727 . 20 1 1 A 58 58 LYS H H 58 8.266 7.701 0.565 1
1 728 . 20 1 1 A 58 58 LYS HA H 58 4.172 4.119 0.053 1
1 740 . 20 1 1 A 58 58 LYS C C 58 178.378 178.692 -0.314 1
1 741 . 20 1 1 A 58 58 LYS CA C 58 57.695 58.910 -1.215 1
1 742 . 20 1 1 A 58 58 LYS CB C 58 31.763 32.397 -0.634 1
1 746 . 20 1 1 A 58 58 LYS N N 58 120.194 119.830 0.364 1
1 747 . 20 1 1 A 59 59 LEU H H 59 7.302 7.641 -0.339 1
1 748 . 20 1 1 A 59 59 LEU HA H 59 3.907 3.962 -0.055 1
1 758 . 20 1 1 A 59 59 LEU C C 59 177.909 178.458 -0.549 1
1 759 . 20 1 1 A 59 59 LEU CA C 59 57.979 57.929 0.050 1
1 760 . 20 1 1 A 59 59 LEU CB C 59 41.727 41.751 -0.024 1
1 764 . 20 1 1 A 59 59 LEU N N 59 118.583 120.913 -2.330 1
1 765 . 20 1 1 A 60 60 THR H H 60 8.500 8.371 0.129 1
1 766 . 20 1 1 A 60 60 THR HA H 60 3.845 4.126 -0.281 1
1 771 . 20 1 1 A 60 60 THR C C 60 176.502 177.195 -0.693 1
1 772 . 20 1 1 A 60 60 THR CA C 60 66.691 65.459 1.232 1
1 773 . 20 1 1 A 60 60 THR CB C 60 68.390 68.447 -0.057 1
1 775 . 20 1 1 A 60 60 THR N N 60 115.462 112.106 3.356 1
1 776 . 20 1 1 A 61 61 THR H H 61 7.996 7.617 0.379 1
1 777 . 20 1 1 A 61 61 THR HA H 61 4.053 3.947 0.106 1
1 782 . 20 1 1 A 61 61 THR C C 61 176.502 176.674 -0.172 1
1 783 . 20 1 1 A 61 61 THR CA C 61 66.420 66.884 -0.464 1
1 784 . 20 1 1 A 61 61 THR CB C 61 68.549 68.157 0.392 1
1 786 . 20 1 1 A 61 61 THR N N 61 117.698 116.458 1.240 1
1 787 . 20 1 1 A 62 62 LEU H H 62 7.717 8.054 -0.337 1
1 788 . 20 1 1 A 62 62 LEU HA H 62 3.542 3.639 -0.097 1
1 798 . 20 1 1 A 62 62 LEU C C 62 178.612 179.166 -0.554 1
1 799 . 20 1 1 A 62 62 LEU CA C 62 57.988 57.626 0.362 1
1 800 . 20 1 1 A 62 62 LEU CB C 62 40.241 40.996 -0.755 1
1 804 . 20 1 1 A 62 62 LEU N N 62 122.534 120.744 1.790 1
1 805 . 20 1 1 A 63 63 MET H H 63 8.230 7.898 0.332 1
1 806 . 20 1 1 A 63 63 MET HA H 63 3.771 4.057 -0.286 1
1 814 . 20 1 1 A 63 63 MET C C 63 177.674 178.205 -0.531 1
1 815 . 20 1 1 A 63 63 MET CA C 63 60.699 59.021 1.678 1
1 816 . 20 1 1 A 63 63 MET CB C 63 33.024 32.483 0.541 1
1 819 . 20 1 1 A 63 63 MET N N 63 116.719 117.288 -0.569 1
1 820 . 20 1 1 A 64 64 ASP H H 64 8.263 7.953 0.310 1
1 821 . 20 1 1 A 64 64 ASP HA H 64 4.401 4.330 0.071 1
1 824 . 20 1 1 A 64 64 ASP C C 64 178.378 178.500 -0.122 1
1 825 . 20 1 1 A 64 64 ASP CA C 64 57.400 57.122 0.278 1
1 826 . 20 1 1 A 64 64 ASP CB C 64 40.703 41.769 -1.066 1
1 827 . 20 1 1 A 64 64 ASP N N 64 118.611 120.647 -2.036 1
1 828 . 20 1 1 A 65 65 LYS H H 65 7.755 7.545 0.210 1
1 829 . 20 1 1 A 65 65 LYS HA H 65 3.970 4.085 -0.115 1
1 838 . 20 1 1 A 65 65 LYS C C 65 179.922 179.466 0.456 1
1 839 . 20 1 1 A 65 65 LYS CA C 65 59.466 59.549 -0.083 1
1 840 . 20 1 1 A 65 65 LYS CB C 65 32.372 32.630 -0.258 1
1 844 . 20 1 1 A 65 65 LYS N N 65 118.452 118.416 0.036 1
1 845 . 20 1 1 A 66 66 LEU H H 66 7.768 8.185 -0.417 1
1 846 . 20 1 1 A 66 66 LEU HA H 66 4.066 4.209 -0.143 1
1 856 . 20 1 1 A 66 66 LEU C C 66 177.557 179.574 -2.017 1
1 857 . 20 1 1 A 66 66 LEU CA C 66 57.550 56.998 0.552 1
1 858 . 20 1 1 A 66 66 LEU CB C 66 43.218 41.753 1.465 1
1 862 . 20 1 1 A 66 66 LEU N N 66 118.471 119.630 -1.159 1
1 863 . 20 1 1 A 67 67 ARG H H 67 8.017 8.482 -0.465 1
1 864 . 20 1 1 A 67 67 ARG HA H 67 3.855 4.254 -0.399 1
1 872 . 20 1 1 A 67 67 ARG C C 67 177.440 177.688 -0.248 1
1 873 . 20 1 1 A 67 67 ARG CA C 67 58.584 58.256 0.328 1
1 874 . 20 1 1 A 67 67 ARG CB C 67 30.313 29.850 0.463 1
1 877 . 20 1 1 A 67 67 ARG N N 67 115.702 119.767 -4.065 1
1 879 . 20 1 1 A 68 68 LYS H H 68 7.168 7.711 -0.543 1
1 880 . 20 1 1 A 68 68 LYS HA H 68 4.198 4.330 -0.132 1
1 889 . 20 1 1 A 68 68 LYS C C 68 176.502 177.089 -0.587 1
1 890 . 20 1 1 A 68 68 LYS CA C 68 56.149 57.292 -1.143 1
1 891 . 20 1 1 A 68 68 LYS CB C 68 32.725 32.863 -0.138 1
1 895 . 20 1 1 A 68 68 LYS N N 68 115.213 117.474 -2.261 1
1 896 . 20 1 1 A 69 69 VAL H H 69 7.348 7.300 0.048 1
1 897 . 20 1 1 A 69 69 VAL HA H 69 3.776 4.120 -0.344 1
1 905 . 20 1 1 A 69 69 VAL C C 69 175.916 177.971 -2.055 1
1 906 . 20 1 1 A 69 69 VAL CA C 69 63.134 63.367 -0.233 1
1 907 . 20 1 1 A 69 69 VAL CB C 69 31.075 31.684 -0.609 1
1 910 . 20 1 1 A 69 69 VAL N N 69 123.611 120.303 3.308 1
1 911 . 20 1 1 A 70 70 GLN H H 70 8.632 8.671 -0.039 1
1 912 . 20 1 1 A 70 70 GLN HA H 70 4.072 4.126 -0.054 1
1 919 . 20 1 1 A 70 70 GLN C C 70 176.151 176.455 -0.304 1
1 920 . 20 1 1 A 70 70 GLN CA C 70 57.800 57.912 -0.112 1
1 921 . 20 1 1 A 70 70 GLN CB C 70 28.100 28.175 -0.075 1
1 923 . 20 1 1 A 70 70 GLN N N 70 130.070 126.408 3.662 1
1 925 . 20 1 1 A 71 71 GLY H H 71 8.783 8.129 0.654 1
1 926 . 20 1 1 A 71 71 GLY HA2 H 71 4.598 4.048 0.550 1
1 927 . 20 1 1 A 71 71 GLY HA3 H 71 3.677 4.061 -0.384 1
1 928 . 20 1 1 A 71 71 GLY C C 71 173.924 174.042 -0.118 1
1 929 . 20 1 1 A 71 71 GLY CA C 71 44.941 45.297 -0.356 1
1 930 . 20 1 1 A 71 71 GLY N N 71 113.801 107.164 6.637 1
1 931 . 20 1 1 A 72 72 VAL H H 72 7.805 7.710 0.095 1
1 932 . 20 1 1 A 72 72 VAL HA H 72 3.723 3.839 -0.116 1
1 940 . 20 1 1 A 72 72 VAL C C 72 176.502 176.270 0.232 1
1 941 . 20 1 1 A 72 72 VAL CA C 72 64.020 62.567 1.453 1
1 942 . 20 1 1 A 72 72 VAL CB C 72 32.003 32.409 -0.406 1
1 945 . 20 1 1 A 72 72 VAL N N 72 120.334 120.364 -0.030 1
1 946 . 20 1 1 A 73 73 PHE H H 73 9.522 7.560 1.962 1
1 947 . 20 1 1 A 73 73 PHE HA H 73 5.109 4.858 0.251 1
1 955 . 20 1 1 A 73 73 PHE C C 73 176.502 174.503 1.999 1
1 956 . 20 1 1 A 73 73 PHE CA C 73 56.354 56.711 -0.357 1
1 957 . 20 1 1 A 73 73 PHE CB C 73 39.615 40.468 -0.853 1
1 961 . 20 1 1 A 73 73 PHE N N 73 127.542 121.853 5.689 1
1 962 . 20 1 1 A 74 74 THR H H 74 7.972 7.399 0.573 1
1 963 . 20 1 1 A 74 74 THR HA H 74 4.736 4.841 -0.105 1
1 968 . 20 1 1 A 74 74 THR C C 74 172.400 173.545 -1.145 1
1 969 . 20 1 1 A 74 74 THR CA C 74 60.604 60.676 -0.072 1
1 970 . 20 1 1 A 74 74 THR CB C 74 72.576 71.416 1.160 1
1 972 . 20 1 1 A 74 74 THR N N 74 111.809 110.027 1.782 1
1 973 . 20 1 1 A 75 75 VAL H H 75 8.584 8.844 -0.260 1
1 974 . 20 1 1 A 75 75 VAL HA H 75 4.878 4.950 -0.072 1
1 982 . 20 1 1 A 75 75 VAL C C 75 174.510 175.016 -0.506 1
1 983 . 20 1 1 A 75 75 VAL CA C 75 61.844 61.617 0.227 1
1 984 . 20 1 1 A 75 75 VAL CB C 75 34.500 34.149 0.351 1
1 987 . 20 1 1 A 75 75 VAL N N 75 122.820 125.237 -2.417 1
1 988 . 20 1 1 A 76 76 GLU H H 76 9.029 8.912 0.117 1
1 989 . 20 1 1 A 76 76 GLU HA H 76 4.861 5.021 -0.160 1
1 994 . 20 1 1 A 76 76 GLU C C 76 174.510 174.621 -0.111 1
1 995 . 20 1 1 A 76 76 GLU CA C 76 53.757 54.175 -0.418 1
1 996 . 20 1 1 A 76 76 GLU CB C 76 34.230 33.496 0.734 1
1 998 . 20 1 1 A 76 76 GLU N N 76 124.572 124.179 0.393 1
1 999 . 20 1 1 A 77 77 ARG H H 77 8.962 8.508 0.454 1
1 1000 . 20 1 1 A 77 77 ARG HA H 77 4.736 4.843 -0.107 1
1 1008 . 20 1 1 A 77 77 ARG C C 77 176.502 175.682 0.820 1
1 1009 . 20 1 1 A 77 77 ARG CA C 77 55.521 55.757 -0.236 1
1 1010 . 20 1 1 A 77 77 ARG CB C 77 30.893 31.472 -0.579 1
1 1013 . 20 1 1 A 77 77 ARG N N 77 122.875 123.251 -0.376 1
1 1015 . 20 1 1 A 78 78 LEU H H 78 8.252 9.263 -1.011 1
1 1016 . 20 1 1 A 78 78 LEU HA H 78 4.505 4.559 -0.054 1
1 1026 . 20 1 1 A 78 78 LEU C C 78 176.737 178.053 -1.316 1
1 1027 . 20 1 1 A 78 78 LEU CA C 78 53.875 54.666 -0.791 1
1 1028 . 20 1 1 A 78 78 LEU CB C 78 43.228 41.236 1.992 1
1 1032 . 20 1 1 A 78 78 LEU N N 78 127.062 127.554 -0.492 1
1 1033 . 20 1 1 A 79 79 SER H H 79 8.635 8.840 -0.205 1
1 1034 . 20 1 1 A 79 79 SER HA H 79 4.492 4.398 0.094 1
1 1037 . 20 1 1 A 79 79 SER C C 79 174.041 174.442 -0.401 1
1 1038 . 20 1 1 A 79 79 SER CA C 79 58.465 60.670 -2.205 1
1 1039 . 20 1 1 A 79 79 SER CB C 79 63.993 63.288 0.705 1
1 1040 . 20 1 1 A 79 79 SER N N 79 118.446 118.846 -0.400 1
1 1041 . 20 1 1 A 80 80 ASN H H 80 8.421 8.105 0.316 1
1 1042 . 20 1 1 A 80 80 ASN HA H 80 4.668 4.833 -0.165 1
1 1047 . 20 1 1 A 80 80 ASN C C 80 175.096 174.373 0.723 1
1 1048 . 20 1 1 A 80 80 ASN CA C 80 53.300 52.648 0.652 1
1 1049 . 20 1 1 A 80 80 ASN CB C 80 38.300 38.144 0.156 1
1 1050 . 20 1 1 A 80 80 ASN N N 80 119.339 118.167 1.172 1
1 1052 . 20 1 1 A 81 81 LEU H H 81 8.256 8.894 -0.638 1
1 1053 . 20 1 1 A 81 81 LEU HA H 81 4.258 4.644 -0.386 1
1 1063 . 20 1 1 A 81 81 LEU C C 81 177.323 177.932 -0.609 1
1 1064 . 20 1 1 A 81 81 LEU CA C 81 55.263 54.097 1.166 1
1 1065 . 20 1 1 A 81 81 LEU CB C 81 41.756 42.612 -0.856 1
1 1069 . 20 1 1 A 81 81 LEU N N 81 121.238 125.814 -4.576 1
1 1070 . 20 1 1 A 82 82 GLU H H 82 8.282 8.982 -0.700 1
1 1071 . 20 1 1 A 82 82 GLU HA H 82 4.169 4.341 -0.172 1
1 1076 . 20 1 1 A 82 82 GLU C C 82 176.385 176.639 -0.254 1
1 1077 . 20 1 1 A 82 82 GLU CA C 82 56.762 57.556 -0.794 1
1 1078 . 20 1 1 A 82 82 GLU CB C 82 29.997 28.781 1.216 1
1 1080 . 20 1 1 A 82 82 GLU N N 82 120.037 120.369 -0.332 1
1 1081 . 20 1 1 A 83 83 HIS H H 83 8.195 8.301 -0.106 1
1 1082 . 20 1 1 A 83 83 HIS HA H 83 4.535 4.291 0.244 1
1 1087 . 20 1 1 A 83 83 HIS C C 83 175.081 175.431 -0.350 1
1 1088 . 20 1 1 A 83 83 HIS CA C 83 55.951 56.002 -0.051 1
1 1089 . 20 1 1 A 83 83 HIS CB C 83 30.366 29.436 0.930 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 81 0.960 1
2 1 1 1 "RMS(OBS, PRED)" CA 82 1.042 1
3 1 1 1 "RMS(OBS, PRED)" CB 76 1.257 1
4 1 1 1 "RMS(OBS, PRED)" H 81 0.471 1
5 1 1 1 "RMS(OBS, PRED)" HA 88 0.358 1
6 1 1 1 "RMS(OBS, PRED)" N 80 2.805 1
7 1 2 1 "RMS(OBS, PRED)" C 81 0.973 1
8 1 2 1 "RMS(OBS, PRED)" CA 82 1.026 1
9 1 2 1 "RMS(OBS, PRED)" CB 76 1.125 1
10 1 2 1 "RMS(OBS, PRED)" H 81 0.474 1
11 1 2 1 "RMS(OBS, PRED)" HA 88 0.349 1
12 1 2 1 "RMS(OBS, PRED)" N 80 2.481 1
13 1 3 1 "RMS(OBS, PRED)" C 81 0.993 1
14 1 3 1 "RMS(OBS, PRED)" CA 82 1.014 1
15 1 3 1 "RMS(OBS, PRED)" CB 76 1.121 1
16 1 3 1 "RMS(OBS, PRED)" H 81 0.470 1
17 1 3 1 "RMS(OBS, PRED)" HA 88 0.352 1
18 1 3 1 "RMS(OBS, PRED)" N 80 2.555 1
19 1 4 1 "RMS(OBS, PRED)" C 81 0.939 1
20 1 4 1 "RMS(OBS, PRED)" CA 82 1.058 1
21 1 4 1 "RMS(OBS, PRED)" CB 76 1.080 1
22 1 4 1 "RMS(OBS, PRED)" H 81 0.458 1
23 1 4 1 "RMS(OBS, PRED)" HA 88 0.358 1
24 1 4 1 "RMS(OBS, PRED)" N 80 2.424 1
25 1 5 1 "RMS(OBS, PRED)" C 81 0.863 1
26 1 5 1 "RMS(OBS, PRED)" CA 82 1.197 1
27 1 5 1 "RMS(OBS, PRED)" CB 76 1.174 1
28 1 5 1 "RMS(OBS, PRED)" H 81 0.480 1
29 1 5 1 "RMS(OBS, PRED)" HA 88 0.354 1
30 1 5 1 "RMS(OBS, PRED)" N 80 2.442 1
31 1 6 1 "RMS(OBS, PRED)" C 81 0.914 1
32 1 6 1 "RMS(OBS, PRED)" CA 82 1.059 1
33 1 6 1 "RMS(OBS, PRED)" CB 76 1.305 1
34 1 6 1 "RMS(OBS, PRED)" H 81 0.483 1
35 1 6 1 "RMS(OBS, PRED)" HA 88 0.336 1
36 1 6 1 "RMS(OBS, PRED)" N 80 2.415 1
37 1 7 1 "RMS(OBS, PRED)" C 81 0.930 1
38 1 7 1 "RMS(OBS, PRED)" CA 82 1.145 1
39 1 7 1 "RMS(OBS, PRED)" CB 76 1.235 1
40 1 7 1 "RMS(OBS, PRED)" H 81 0.428 1
41 1 7 1 "RMS(OBS, PRED)" HA 88 0.348 1
42 1 7 1 "RMS(OBS, PRED)" N 80 2.390 1
43 1 8 1 "RMS(OBS, PRED)" C 81 0.939 1
44 1 8 1 "RMS(OBS, PRED)" CA 82 1.060 1
45 1 8 1 "RMS(OBS, PRED)" CB 76 1.154 1
46 1 8 1 "RMS(OBS, PRED)" H 81 0.463 1
47 1 8 1 "RMS(OBS, PRED)" HA 88 0.348 1
48 1 8 1 "RMS(OBS, PRED)" N 80 2.596 1
49 1 9 1 "RMS(OBS, PRED)" C 81 1.008 1
50 1 9 1 "RMS(OBS, PRED)" CA 82 1.174 1
51 1 9 1 "RMS(OBS, PRED)" CB 76 1.188 1
52 1 9 1 "RMS(OBS, PRED)" H 81 0.516 1
53 1 9 1 "RMS(OBS, PRED)" HA 88 0.318 1
54 1 9 1 "RMS(OBS, PRED)" N 80 2.744 1
55 1 10 1 "RMS(OBS, PRED)" C 81 0.997 1
56 1 10 1 "RMS(OBS, PRED)" CA 82 1.106 1
57 1 10 1 "RMS(OBS, PRED)" CB 76 1.251 1
58 1 10 1 "RMS(OBS, PRED)" H 81 0.457 1
59 1 10 1 "RMS(OBS, PRED)" HA 88 0.339 1
60 1 10 1 "RMS(OBS, PRED)" N 80 2.584 1
61 1 11 1 "RMS(OBS, PRED)" C 81 0.935 1
62 1 11 1 "RMS(OBS, PRED)" CA 82 1.145 1
63 1 11 1 "RMS(OBS, PRED)" CB 76 0.993 1
64 1 11 1 "RMS(OBS, PRED)" H 81 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 88 0.323 1
66 1 11 1 "RMS(OBS, PRED)" N 80 2.436 1
67 1 12 1 "RMS(OBS, PRED)" C 81 0.900 1
68 1 12 1 "RMS(OBS, PRED)" CA 82 1.065 1
69 1 12 1 "RMS(OBS, PRED)" CB 76 1.183 1
70 1 12 1 "RMS(OBS, PRED)" H 81 0.481 1
71 1 12 1 "RMS(OBS, PRED)" HA 88 0.352 1
72 1 12 1 "RMS(OBS, PRED)" N 80 2.317 1
73 1 13 1 "RMS(OBS, PRED)" C 81 0.906 1
74 1 13 1 "RMS(OBS, PRED)" CA 82 1.102 1
75 1 13 1 "RMS(OBS, PRED)" CB 76 1.275 1
76 1 13 1 "RMS(OBS, PRED)" H 81 0.470 1
77 1 13 1 "RMS(OBS, PRED)" HA 88 0.349 1
78 1 13 1 "RMS(OBS, PRED)" N 80 2.632 1
79 1 14 1 "RMS(OBS, PRED)" C 81 0.965 1
80 1 14 1 "RMS(OBS, PRED)" CA 82 1.199 1
81 1 14 1 "RMS(OBS, PRED)" CB 76 1.233 1
82 1 14 1 "RMS(OBS, PRED)" H 81 0.499 1
83 1 14 1 "RMS(OBS, PRED)" HA 88 0.329 1
84 1 14 1 "RMS(OBS, PRED)" N 80 2.446 1
85 1 15 1 "RMS(OBS, PRED)" C 81 0.971 1
86 1 15 1 "RMS(OBS, PRED)" CA 82 1.154 1
87 1 15 1 "RMS(OBS, PRED)" CB 76 1.220 1
88 1 15 1 "RMS(OBS, PRED)" H 81 0.491 1
89 1 15 1 "RMS(OBS, PRED)" HA 88 0.366 1
90 1 15 1 "RMS(OBS, PRED)" N 80 2.815 1
91 1 16 1 "RMS(OBS, PRED)" C 81 0.976 1
92 1 16 1 "RMS(OBS, PRED)" CA 82 1.033 1
93 1 16 1 "RMS(OBS, PRED)" CB 76 1.170 1
94 1 16 1 "RMS(OBS, PRED)" H 81 0.452 1
95 1 16 1 "RMS(OBS, PRED)" HA 88 0.342 1
96 1 16 1 "RMS(OBS, PRED)" N 80 2.483 1
97 1 17 1 "RMS(OBS, PRED)" C 81 0.973 1
98 1 17 1 "RMS(OBS, PRED)" CA 82 1.088 1
99 1 17 1 "RMS(OBS, PRED)" CB 76 1.166 1
100 1 17 1 "RMS(OBS, PRED)" H 81 0.494 1
101 1 17 1 "RMS(OBS, PRED)" HA 88 0.334 1
102 1 17 1 "RMS(OBS, PRED)" N 80 2.841 1
103 1 18 1 "RMS(OBS, PRED)" C 81 0.961 1
104 1 18 1 "RMS(OBS, PRED)" CA 82 1.082 1
105 1 18 1 "RMS(OBS, PRED)" CB 76 1.092 1
106 1 18 1 "RMS(OBS, PRED)" H 81 0.470 1
107 1 18 1 "RMS(OBS, PRED)" HA 88 0.337 1
108 1 18 1 "RMS(OBS, PRED)" N 80 2.602 1
109 1 19 1 "RMS(OBS, PRED)" C 81 1.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 82 1.129 1
111 1 19 1 "RMS(OBS, PRED)" CB 76 1.161 1
112 1 19 1 "RMS(OBS, PRED)" H 81 0.482 1
113 1 19 1 "RMS(OBS, PRED)" HA 88 0.341 1
114 1 19 1 "RMS(OBS, PRED)" N 80 2.539 1
115 1 20 1 "RMS(OBS, PRED)" C 81 0.912 1
116 1 20 1 "RMS(OBS, PRED)" CA 82 1.008 1
117 1 20 1 "RMS(OBS, PRED)" CB 76 1.269 1
118 1 20 1 "RMS(OBS, PRED)" H 81 0.469 1
119 1 20 1 "RMS(OBS, PRED)" HA 88 0.377 1
120 1 20 1 "RMS(OBS, PRED)" N 80 2.574 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 THR HA H 2 3.782 4.679 -0.897 2
1 6 . 1 1 A 2 2 THR C C 2 171.502 173.427 -1.925 2
1 7 . 1 1 A 2 2 THR CA C 2 61.906 61.697 0.209 2
1 8 . 1 1 A 2 2 THR CB C 2 69.449 69.948 -0.499 2
1 10 . 1 1 A 3 3 ASP H H 3 8.636 8.472 0.164 2
1 11 . 1 1 A 3 3 ASP HA H 3 4.803 5.290 -0.487 2
1 14 . 1 1 A 3 3 ASP C C 3 175.330 175.830 -0.500 2
1 15 . 1 1 A 3 3 ASP CA C 3 54.454 54.149 0.305 2
1 16 . 1 1 A 3 3 ASP CB C 3 41.426 42.365 -0.939 2
1 17 . 1 1 A 3 3 ASP N N 3 125.850 123.972 1.878 2
1 18 . 1 1 A 4 4 PHE H H 4 8.608 8.761 -0.153 2
1 19 . 1 1 A 4 4 PHE HA H 4 5.042 5.668 -0.626 2
1 27 . 1 1 A 4 4 PHE C C 4 172.986 172.756 0.230 2
1 28 . 1 1 A 4 4 PHE CA C 4 55.505 55.303 0.203 2
1 29 . 1 1 A 4 4 PHE CB C 4 41.288 42.126 -0.838 2
1 33 . 1 1 A 4 4 PHE N N 4 117.566 118.396 -0.830 2
1 34 . 1 1 A 5 5 LEU H H 5 8.498 8.546 -0.048 2
1 35 . 1 1 A 5 5 LEU HA H 5 4.532 3.912 0.620 2
1 45 . 1 1 A 5 5 LEU C C 5 175.330 174.660 0.670 2
1 46 . 1 1 A 5 5 LEU CA C 5 54.222 53.803 0.419 2
1 47 . 1 1 A 5 5 LEU CB C 5 42.932 42.451 0.481 2
1 51 . 1 1 A 5 5 LEU N N 5 123.329 122.259 1.070 2
1 52 . 1 1 A 6 6 ALA H H 6 9.325 8.818 0.507 2
1 53 . 1 1 A 6 6 ALA HA H 6 4.769 5.223 -0.454 2
1 57 . 1 1 A 6 6 ALA C C 6 174.744 176.916 -2.172 2
1 58 . 1 1 A 6 6 ALA CA C 6 50.500 50.707 -0.207 2
1 59 . 1 1 A 6 6 ALA CB C 6 23.746 20.994 2.752 2
1 60 . 1 1 A 6 6 ALA N N 6 129.530 130.399 -0.869 2
1 61 . 1 1 A 7 7 GLY H H 7 8.639 8.754 -0.115 2
1 62 . 1 1 A 7 7 GLY HA2 H 7 5.721 4.264 1.457 2
1 63 . 1 1 A 7 7 GLY HA3 H 7 3.508 4.275 -0.767 2
1 64 . 1 1 A 7 7 GLY C C 7 173.221 171.876 1.345 2
1 65 . 1 1 A 7 7 GLY CA C 7 45.351 44.065 1.286 2
1 66 . 1 1 A 7 7 GLY N N 7 106.888 108.713 -1.824 2
1 67 . 1 1 A 8 8 ILE H H 8 9.356 9.062 0.294 2
1 68 . 1 1 A 8 8 ILE HA H 8 4.957 5.000 -0.043 2
1 78 . 1 1 A 8 8 ILE C C 8 172.986 173.964 -0.978 2
1 79 . 1 1 A 8 8 ILE CA C 8 59.551 59.854 -0.303 2
1 80 . 1 1 A 8 8 ILE CB C 8 43.405 41.815 1.590 2
1 84 . 1 1 A 8 8 ILE N N 8 122.820 123.541 -0.721 2
1 85 . 1 1 A 9 9 ARG H H 9 9.364 9.429 -0.065 2
1 86 . 1 1 A 9 9 ARG HA H 9 5.609 5.156 0.453 2
1 94 . 1 1 A 9 9 ARG C C 9 175.096 174.660 0.436 2
1 95 . 1 1 A 9 9 ARG CA C 9 54.192 54.547 -0.355 2
1 96 . 1 1 A 9 9 ARG CB C 9 33.400 33.246 0.154 2
1 99 . 1 1 A 9 9 ARG N N 9 126.323 127.556 -1.233 2
1 101 . 1 1 A 10 10 ILE H H 10 9.479 9.197 0.282 2
1 102 . 1 1 A 10 10 ILE HA H 10 5.089 4.899 0.190 2
1 112 . 1 1 A 10 10 ILE C C 10 174.275 174.570 -0.295 2
1 113 . 1 1 A 10 10 ILE CA C 10 60.127 59.897 0.230 2
1 114 . 1 1 A 10 10 ILE CB C 10 42.651 39.786 2.865 2
1 118 . 1 1 A 10 10 ILE N N 10 128.583 127.392 1.191 2
1 119 . 1 1 A 11 11 VAL H H 11 8.581 8.796 -0.215 2
1 120 . 1 1 A 11 11 VAL HA H 11 4.793 4.884 -0.091 2
1 128 . 1 1 A 11 11 VAL C C 11 175.827 174.620 1.207 2
1 129 . 1 1 A 11 11 VAL CA C 11 60.201 60.366 -0.165 2
1 130 . 1 1 A 11 11 VAL CB C 11 34.522 33.461 1.061 2
1 133 . 1 1 A 11 11 VAL N N 11 126.323 128.118 -1.795 2
1 134 . 1 1 A 12 12 GLY H H 12 7.713 7.297 0.416 2
1 135 . 1 1 A 12 12 GLY HA2 H 12 3.434 3.074 0.360 2
1 136 . 1 1 A 12 12 GLY HA3 H 12 3.563 3.777 -0.214 2
1 137 . 1 1 A 12 12 GLY C C 12 170.332 172.749 -2.417 2
1 138 . 1 1 A 12 12 GLY CA C 12 45.842 43.592 2.250 2
1 139 . 1 1 A 12 12 GLY N N 12 113.216 113.449 -0.233 2
1 140 . 1 1 A 13 13 GLU H H 13 8.180 8.323 -0.143 2
1 141 . 1 1 A 13 13 GLU HA H 13 4.387 4.409 -0.022 2
1 146 . 1 1 A 13 13 GLU C C 13 175.409 175.778 -0.369 2
1 147 . 1 1 A 13 13 GLU CA C 13 55.865 56.804 -0.939 2
1 148 . 1 1 A 13 13 GLU CB C 13 31.102 30.124 0.978 2
1 150 . 1 1 A 13 13 GLU N N 13 119.035 118.271 0.764 2
1 151 . 1 1 A 14 14 ASP H H 14 8.095 8.808 -0.713 2
1 152 . 1 1 A 14 14 ASP HA H 14 4.888 4.969 -0.081 2
1 155 . 1 1 A 14 14 ASP C C 14 174.991 175.345 -0.354 2
1 156 . 1 1 A 14 14 ASP CA C 14 52.473 53.978 -1.505 2
1 157 . 1 1 A 14 14 ASP CB C 14 40.364 40.850 -0.486 2
1 158 . 1 1 A 14 14 ASP N N 14 122.877 124.150 -1.273 2
1 159 . 1 1 A 15 15 LYS H H 15 7.345 8.424 -1.079 2
1 160 . 1 1 A 15 15 LYS HA H 15 4.550 4.695 -0.145 2
1 169 . 1 1 A 15 15 LYS C C 15 176.385 176.771 -0.386 2
1 170 . 1 1 A 15 15 LYS CA C 15 54.554 55.066 -0.512 2
1 171 . 1 1 A 15 15 LYS CB C 15 35.403 34.790 0.613 2
1 175 . 1 1 A 15 15 LYS N N 15 120.221 125.252 -5.031 2
1 176 . 1 1 A 16 16 ASN H H 16 9.025 9.027 -0.002 2
1 177 . 1 1 A 16 16 ASN HA H 16 4.386 4.474 -0.088 2
1 182 . 1 1 A 16 16 ASN C C 16 175.916 175.885 0.031 2
1 183 . 1 1 A 16 16 ASN CA C 16 54.966 54.859 0.107 2
1 184 . 1 1 A 16 16 ASN CB C 16 37.810 37.507 0.303 2
1 185 . 1 1 A 16 16 ASN N N 16 119.785 119.831 -0.046 2
1 187 . 1 1 A 17 17 GLY H H 17 8.780 8.158 0.622 2
1 188 . 1 1 A 17 17 GLY HA2 H 17 4.125 3.992 0.133 2
1 189 . 1 1 A 17 17 GLY HA3 H 17 3.970 4.008 -0.038 2
1 190 . 1 1 A 17 17 GLY C C 17 176.151 175.385 0.766 2
1 191 . 1 1 A 17 17 GLY CA C 17 45.996 45.622 0.374 2
1 192 . 1 1 A 17 17 GLY N N 17 110.504 106.701 3.803 2
1 193 . 1 1 A 18 18 MET H H 18 7.989 8.043 -0.054 2
1 194 . 1 1 A 18 18 MET HA H 18 4.359 4.160 0.199 2
1 202 . 1 1 A 18 18 MET C C 18 178.589 178.096 0.493 2
1 203 . 1 1 A 18 18 MET CA C 18 57.405 58.329 -0.924 2
1 204 . 1 1 A 18 18 MET CB C 18 31.847 33.000 -1.153 2
1 207 . 1 1 A 18 18 MET N N 18 121.860 120.037 1.823 2
1 208 . 1 1 A 19 19 THR H H 19 8.807 8.048 0.759 2
1 209 . 1 1 A 19 19 THR HA H 19 3.233 3.319 -0.086 2
1 215 . 1 1 A 19 19 THR C C 19 177.909 176.885 1.024 2
1 216 . 1 1 A 19 19 THR CA C 19 65.516 65.486 0.030 2
1 217 . 1 1 A 19 19 THR CB C 19 67.000 68.051 -1.051 2
1 219 . 1 1 A 19 19 THR N N 19 111.351 112.193 -0.842 2
1 220 . 1 1 A 20 20 ASN H H 20 7.936 7.914 0.022 2
1 221 . 1 1 A 20 20 ASN HA H 20 4.083 4.412 -0.329 2
1 226 . 1 1 A 20 20 ASN C C 20 176.854 177.531 -0.677 2
1 227 . 1 1 A 20 20 ASN CA C 20 57.669 55.989 1.680 2
1 228 . 1 1 A 20 20 ASN CB C 20 36.625 38.384 -1.759 2
1 229 . 1 1 A 20 20 ASN N N 20 121.577 120.660 0.917 2
1 231 . 1 1 A 21 21 GLN H H 21 8.433 8.172 0.261 2
1 232 . 1 1 A 21 21 GLN HA H 21 4.046 4.016 0.030 2
1 239 . 1 1 A 21 21 GLN C C 21 179.550 178.307 1.243 2
1 240 . 1 1 A 21 21 GLN CA C 21 59.187 58.554 0.633 2
1 241 . 1 1 A 21 21 GLN CB C 21 28.512 27.937 0.575 2
1 243 . 1 1 A 21 21 GLN N N 21 120.250 117.276 2.974 2
1 245 . 1 1 A 22 22 ILE H H 22 8.779 8.055 0.724 2
1 246 . 1 1 A 22 22 ILE HA H 22 3.823 3.625 0.198 2
1 256 . 1 1 A 22 22 ILE C C 22 176.854 177.796 -0.942 2
1 257 . 1 1 A 22 22 ILE CA C 22 61.611 65.454 -3.843 2
1 258 . 1 1 A 22 22 ILE CB C 22 36.935 37.987 -1.052 2
1 262 . 1 1 A 22 22 ILE N N 22 119.497 121.257 -1.760 2
1 263 . 1 1 A 23 23 THR H H 23 7.478 7.886 -0.408 2
1 264 . 1 1 A 23 23 THR HA H 23 3.523 3.916 -0.393 2
1 270 . 1 1 A 23 23 THR C C 23 176.502 176.751 -0.249 2
1 271 . 1 1 A 23 23 THR CA C 23 67.006 66.388 0.618 2
1 272 . 1 1 A 23 23 THR CB C 23 67.305 68.302 -0.997 2
1 274 . 1 1 A 23 23 THR N N 23 115.702 116.127 -0.425 2
1 275 . 1 1 A 24 24 GLY H H 24 8.011 8.243 -0.232 2
1 276 . 1 1 A 24 24 GLY HA2 H 24 3.880 3.651 0.229 2
1 277 . 1 1 A 24 24 GLY HA3 H 24 3.672 3.659 0.013 2
1 278 . 1 1 A 24 24 GLY C C 24 176.385 175.753 0.632 2
1 279 . 1 1 A 24 24 GLY CA C 24 47.163 47.230 -0.067 2
1 280 . 1 1 A 24 24 GLY N N 24 110.691 107.938 2.753 2
1 281 . 1 1 A 25 25 VAL H H 25 7.898 8.296 -0.398 2
1 282 . 1 1 A 25 25 VAL HA H 25 3.473 3.627 -0.154 2
1 290 . 1 1 A 25 25 VAL C C 25 178.286 177.451 0.835 2
1 291 . 1 1 A 25 25 VAL CA C 25 66.432 65.773 0.659 2
1 292 . 1 1 A 25 25 VAL CB C 25 31.925 31.681 0.244 2
1 295 . 1 1 A 25 25 VAL N N 25 123.276 121.922 1.354 2
1 296 . 1 1 A 26 26 ILE H H 26 7.646 7.922 -0.276 2
1 297 . 1 1 A 26 26 ILE HA H 26 2.698 2.219 0.479 2
1 307 . 1 1 A 26 26 ILE C C 26 177.440 177.809 -0.369 2
1 308 . 1 1 A 26 26 ILE CA C 26 64.163 64.665 -0.502 2
1 309 . 1 1 A 26 26 ILE CB C 26 37.876 37.440 0.436 2
1 313 . 1 1 A 26 26 ILE N N 26 116.606 120.291 -3.685 2
1 314 . 1 1 A 27 27 SER H H 27 7.783 7.891 -0.108 2
1 315 . 1 1 A 27 27 SER HA H 27 3.908 4.136 -0.228 2
1 319 . 1 1 A 27 27 SER C C 27 175.330 175.661 -0.331 2
1 320 . 1 1 A 27 27 SER CA C 27 61.465 61.317 0.148 2
1 321 . 1 1 A 27 27 SER CB C 27 63.388 62.814 0.574 2
1 322 . 1 1 A 27 27 SER N N 27 112.932 115.610 -2.678 2
1 323 . 1 1 A 28 28 LYS H H 28 7.008 7.466 -0.458 2
1 324 . 1 1 A 28 28 LYS HA H 28 4.234 4.271 -0.037 2
1 333 . 1 1 A 28 28 LYS C C 28 177.323 177.023 0.300 2
1 334 . 1 1 A 28 28 LYS CA C 28 56.161 56.576 -0.415 2
1 335 . 1 1 A 28 28 LYS CB C 28 32.742 32.482 0.260 2
1 339 . 1 1 A 28 28 LYS N N 28 118.978 118.517 0.461 2
1 340 . 1 1 A 29 29 PHE H H 29 7.691 7.248 0.443 2
1 341 . 1 1 A 29 29 PHE HA H 29 4.576 4.534 0.042 2
1 349 . 1 1 A 29 29 PHE C C 29 175.841 175.984 -0.143 2
1 350 . 1 1 A 29 29 PHE CA C 29 56.366 58.239 -1.873 2
1 351 . 1 1 A 29 29 PHE CB C 29 38.723 39.904 -1.181 2
1 355 . 1 1 A 29 29 PHE N N 29 120.755 119.575 1.180 2
1 356 . 1 1 A 30 30 ASP H H 30 8.388 8.805 -0.417 2
1 357 . 1 1 A 30 30 ASP HA H 30 4.650 4.618 0.032 2
1 360 . 1 1 A 30 30 ASP C C 30 175.096 175.713 -0.617 2
1 361 . 1 1 A 30 30 ASP CA C 30 53.331 55.391 -2.060 2
1 362 . 1 1 A 30 30 ASP CB C 30 38.691 41.144 -2.453 2
1 363 . 1 1 A 30 30 ASP N N 30 122.230 120.570 1.660 2
1 364 . 1 1 A 31 31 THR H H 31 7.663 7.681 -0.018 2
1 365 . 1 1 A 31 31 THR HA H 31 4.558 4.606 -0.048 2
1 370 . 1 1 A 31 31 THR C C 31 173.297 173.193 0.104 2
1 371 . 1 1 A 31 31 THR CA C 31 59.333 60.705 -1.372 2
1 372 . 1 1 A 31 31 THR CB C 31 70.319 70.981 -0.662 2
1 374 . 1 1 A 31 31 THR N N 31 112.538 114.933 -2.395 2
1 375 . 1 1 A 32 32 ASN H H 32 8.308 8.730 -0.422 2
1 376 . 1 1 A 32 32 ASN HA H 32 4.910 5.166 -0.256 2
1 381 . 1 1 A 32 32 ASN C C 32 175.447 174.951 0.496 2
1 382 . 1 1 A 32 32 ASN CA C 32 52.732 52.412 0.320 2
1 383 . 1 1 A 32 32 ASN CB C 32 39.337 40.360 -1.023 2
1 384 . 1 1 A 32 32 ASN N N 32 121.973 123.501 -1.528 2
1 386 . 1 1 A 33 33 ILE H H 33 8.320 8.934 -0.614 2
1 387 . 1 1 A 33 33 ILE HA H 33 3.846 4.135 -0.289 2
1 397 . 1 1 A 33 33 ILE C C 33 175.230 176.000 -0.770 2
1 398 . 1 1 A 33 33 ILE CA C 33 63.300 61.953 1.347 2
1 399 . 1 1 A 33 33 ILE CB C 33 39.167 37.066 2.101 2
1 403 . 1 1 A 33 33 ILE N N 33 125.984 126.234 -0.250 2
1 404 . 1 1 A 34 34 ARG H H 34 8.858 8.915 -0.057 2
1 405 . 1 1 A 34 34 ARG HA H 34 4.538 4.464 0.074 2
1 413 . 1 1 A 34 34 ARG C C 34 175.565 176.294 -0.729 2
1 414 . 1 1 A 34 34 ARG CA C 34 54.900 57.615 -2.715 2
1 415 . 1 1 A 34 34 ARG CB C 34 30.275 31.496 -1.221 2
1 418 . 1 1 A 34 34 ARG N N 34 126.537 129.007 -2.470 2
1 420 . 1 1 A 35 35 THR H H 35 7.698 7.497 0.201 2
1 421 . 1 1 A 35 35 THR HA H 35 5.311 4.982 0.329 2
1 426 . 1 1 A 35 35 THR C C 35 173.807 172.292 1.515 2
1 427 . 1 1 A 35 35 THR CA C 35 61.040 61.095 -0.055 2
1 428 . 1 1 A 35 35 THR CB C 35 74.055 72.974 1.081 2
1 430 . 1 1 A 35 35 THR N N 35 111.895 111.396 0.499 2
1 431 . 1 1 A 36 36 ILE H H 36 8.907 8.869 0.038 2
1 432 . 1 1 A 36 36 ILE HA H 36 4.753 5.219 -0.466 2
1 442 . 1 1 A 36 36 ILE C C 36 174.275 173.356 0.919 2
1 443 . 1 1 A 36 36 ILE CA C 36 61.400 59.873 1.527 2
1 444 . 1 1 A 36 36 ILE CB C 36 42.569 41.777 0.792 2
1 448 . 1 1 A 36 36 ILE N N 36 123.257 125.968 -2.711 2
1 449 . 1 1 A 37 37 VAL H H 37 8.933 8.896 0.037 2
1 450 . 1 1 A 37 37 VAL HA H 37 4.903 4.718 0.185 2
1 458 . 1 1 A 37 37 VAL C C 37 174.684 174.176 0.508 2
1 459 . 1 1 A 37 37 VAL CA C 37 62.100 61.330 0.770 2
1 460 . 1 1 A 37 37 VAL CB C 37 34.186 34.383 -0.197 2
1 463 . 1 1 A 37 37 VAL N N 37 126.323 128.724 -2.401 2
1 464 . 1 1 A 38 38 LEU H H 38 9.751 8.985 0.766 2
1 465 . 1 1 A 38 38 LEU HA H 38 5.636 5.401 0.235 2
1 475 . 1 1 A 38 38 LEU C C 38 174.510 174.974 -0.464 2
1 476 . 1 1 A 38 38 LEU CA C 38 53.810 53.814 -0.004 2
1 477 . 1 1 A 38 38 LEU CB C 38 45.655 45.216 0.439 2
1 481 . 1 1 A 38 38 LEU N N 38 133.332 129.466 3.866 2
1 482 . 1 1 A 39 39 ASN H H 39 8.952 8.893 0.059 2
1 483 . 1 1 A 39 39 ASN HA H 39 5.450 5.540 -0.090 2
1 488 . 1 1 A 39 39 ASN C C 39 172.869 173.415 -0.546 2
1 489 . 1 1 A 39 39 ASN CA C 39 53.137 51.502 1.635 2
1 490 . 1 1 A 39 39 ASN CB C 39 43.287 42.084 1.203 2
1 491 . 1 1 A 39 39 ASN N N 39 123.262 123.399 -0.137 2
1 493 . 1 1 A 40 40 ALA H H 40 8.467 9.003 -0.536 2
1 494 . 1 1 A 40 40 ALA HA H 40 5.345 5.528 -0.183 2
1 498 . 1 1 A 40 40 ALA C C 40 175.447 176.851 -1.404 2
1 499 . 1 1 A 40 40 ALA CA C 40 51.370 50.786 0.584 2
1 500 . 1 1 A 40 40 ALA CB C 40 20.975 20.720 0.255 2
1 501 . 1 1 A 40 40 ALA N N 40 127.058 125.981 1.077 2
1 502 . 1 1 A 41 41 LYS H H 41 8.865 8.894 -0.029 2
1 503 . 1 1 A 41 41 LYS HA H 41 4.435 4.867 -0.432 2
1 512 . 1 1 A 41 41 LYS C C 41 175.565 175.170 0.395 2
1 513 . 1 1 A 41 41 LYS CA C 41 56.736 54.928 1.808 2
1 514 . 1 1 A 41 41 LYS CB C 41 34.811 35.577 -0.766 2
1 518 . 1 1 A 41 41 LYS N N 41 121.996 120.678 1.318 2
1 519 . 1 1 A 42 42 ASP H H 42 9.197 9.290 -0.093 2
1 520 . 1 1 A 42 42 ASP HA H 42 4.373 4.383 -0.010 2
1 523 . 1 1 A 42 42 ASP C C 42 175.447 176.082 -0.635 2
1 524 . 1 1 A 42 42 ASP CA C 42 55.547 55.204 0.343 2
1 525 . 1 1 A 42 42 ASP CB C 42 39.485 39.676 -0.191 2
1 526 . 1 1 A 42 42 ASP N N 42 122.213 120.350 1.863 2
1 527 . 1 1 A 43 43 GLY H H 43 9.306 8.610 0.696 2
1 528 . 1 1 A 43 43 GLY HA2 H 43 4.443 3.902 0.541 2
1 529 . 1 1 A 43 43 GLY HA3 H 43 3.816 3.908 -0.092 2
1 530 . 1 1 A 43 43 GLY C C 43 174.979 173.825 1.154 2
1 531 . 1 1 A 43 43 GLY CA C 43 45.661 45.496 0.165 2
1 532 . 1 1 A 43 43 GLY N N 43 104.610 105.864 -1.254 2
1 533 . 1 1 A 44 44 ILE H H 44 8.117 7.996 0.121 2
1 534 . 1 1 A 44 44 ILE HA H 44 5.112 4.830 0.282 2
1 544 . 1 1 A 44 44 ILE C C 44 175.213 174.930 0.283 2
1 545 . 1 1 A 44 44 ILE CA C 44 59.040 59.399 -0.359 2
1 546 . 1 1 A 44 44 ILE CB C 44 42.013 41.167 0.846 2
1 550 . 1 1 A 44 44 ILE N N 44 122.284 121.866 0.418 2
1 551 . 1 1 A 45 45 PHE H H 45 8.955 8.567 0.388 2
1 552 . 1 1 A 45 45 PHE HA H 45 5.740 5.960 -0.220 2
1 560 . 1 1 A 45 45 PHE C C 45 172.283 172.983 -0.700 2
1 561 . 1 1 A 45 45 PHE CA C 45 55.872 55.068 0.804 2
1 562 . 1 1 A 45 45 PHE CB C 45 42.740 42.593 0.147 2
1 566 . 1 1 A 45 45 PHE N N 45 121.747 120.971 0.776 2
1 567 . 1 1 A 46 46 THR H H 46 8.659 9.006 -0.347 2
1 568 . 1 1 A 46 46 THR HA H 46 5.111 5.254 -0.143 2
1 574 . 1 1 A 46 46 THR C C 46 174.041 172.425 1.616 2
1 575 . 1 1 A 46 46 THR CA C 46 59.750 60.064 -0.314 2
1 576 . 1 1 A 46 46 THR CB C 46 71.380 70.822 0.558 2
1 578 . 1 1 A 46 46 THR N N 46 113.420 116.326 -2.906 2
1 579 . 1 1 A 47 47 CYS H H 47 9.619 9.514 0.105 2
1 580 . 1 1 A 47 47 CYS HA H 47 5.562 5.268 0.294 2
1 584 . 1 1 A 47 47 CYS C C 47 172.283 173.183 -0.900 2
1 585 . 1 1 A 47 47 CYS CA C 47 56.776 57.474 -0.698 2
1 586 . 1 1 A 47 47 CYS CB C 47 29.112 29.255 -0.143 2
1 587 . 1 1 A 47 47 CYS N N 47 124.781 129.751 -4.970 2
1 588 . 1 1 A 48 48 ASN H H 48 9.293 9.456 -0.163 2
1 589 . 1 1 A 48 48 ASN HA H 48 5.629 5.370 0.259 2
1 594 . 1 1 A 48 48 ASN C C 48 173.455 173.799 -0.344 2
1 595 . 1 1 A 48 48 ASN CA C 48 51.962 52.527 -0.565 2
1 596 . 1 1 A 48 48 ASN CB C 48 40.059 39.352 0.707 2
1 597 . 1 1 A 48 48 ASN N N 48 129.520 125.746 3.775 2
1 599 . 1 1 A 49 49 LEU H H 49 9.435 9.200 0.235 2
1 600 . 1 1 A 49 49 LEU HA H 49 5.158 4.977 0.181 2
1 610 . 1 1 A 49 49 LEU C C 49 174.510 174.582 -0.072 2
1 611 . 1 1 A 49 49 LEU CA C 49 53.178 53.680 -0.502 2
1 612 . 1 1 A 49 49 LEU CB C 49 46.402 44.514 1.888 2
1 616 . 1 1 A 49 49 LEU N N 49 125.541 127.212 -1.671 2
1 617 . 1 1 A 50 50 MET H H 50 8.978 9.073 -0.095 2
1 618 . 1 1 A 50 50 MET HA H 50 5.723 5.412 0.311 2
1 626 . 1 1 A 50 50 MET C C 50 175.682 174.891 0.791 2
1 627 . 1 1 A 50 50 MET CA C 50 54.073 54.200 -0.127 2
1 628 . 1 1 A 50 50 MET CB C 50 33.643 34.957 -1.314 2
1 631 . 1 1 A 50 50 MET N N 50 123.131 125.109 -1.978 2
1 632 . 1 1 A 51 51 ILE H H 51 9.056 8.822 0.234 2
1 633 . 1 1 A 51 51 ILE HA H 51 5.044 5.075 -0.031 2
1 643 . 1 1 A 51 51 ILE C C 51 173.689 174.123 -0.434 2
1 644 . 1 1 A 51 51 ILE CA C 51 58.495 59.021 -0.526 2
1 645 . 1 1 A 51 51 ILE CB C 51 41.447 42.259 -0.812 2
1 649 . 1 1 A 51 51 ILE N N 51 118.753 118.295 0.458 2
1 650 . 1 1 A 52 52 PHE H H 52 8.324 8.825 -0.501 2
1 651 . 1 1 A 52 52 PHE HA H 52 5.345 5.175 0.170 2
1 659 . 1 1 A 52 52 PHE C C 52 176.084 175.529 0.555 2
1 660 . 1 1 A 52 52 PHE CA C 52 56.478 57.180 -0.702 2
1 661 . 1 1 A 52 52 PHE CB C 52 40.520 40.825 -0.305 2
1 665 . 1 1 A 52 52 PHE N N 52 120.910 121.659 -0.749 2
1 666 . 1 1 A 53 53 VAL H H 53 8.865 8.284 0.581 2
1 667 . 1 1 A 53 53 VAL HA H 53 4.663 4.648 0.015 2
1 675 . 1 1 A 53 53 VAL C C 53 174.812 175.728 -0.916 2
1 676 . 1 1 A 53 53 VAL CA C 53 58.881 59.071 -0.190 2
1 677 . 1 1 A 53 53 VAL CB C 53 35.707 34.870 0.837 2
1 680 . 1 1 A 53 53 VAL N N 53 118.244 115.836 2.408 2
1 681 . 1 1 A 54 54 LYS H H 54 8.335 8.668 -0.333 2
1 682 . 1 1 A 54 54 LYS HA H 54 4.324 4.332 -0.008 2
1 691 . 1 1 A 54 54 LYS C C 54 176.655 176.368 0.287 2
1 692 . 1 1 A 54 54 LYS CA C 54 58.039 57.665 0.374 2
1 693 . 1 1 A 54 54 LYS CB C 54 33.974 32.879 1.095 2
1 697 . 1 1 A 54 54 LYS N N 54 120.334 121.364 -1.030 2
1 698 . 1 1 A 55 55 ASN H H 55 7.235 7.638 -0.403 2
1 699 . 1 1 A 55 55 ASN HA H 55 4.888 5.256 -0.368 2
1 704 . 1 1 A 55 55 ASN C C 55 175.083 175.452 -0.369 2
1 705 . 1 1 A 55 55 ASN CA C 55 52.173 51.973 0.200 2
1 706 . 1 1 A 55 55 ASN CB C 55 39.333 40.882 -1.549 2
1 707 . 1 1 A 55 55 ASN N N 55 108.018 114.754 -6.736 2
1 709 . 1 1 A 56 56 THR H H 56 8.865 8.798 0.067 2
1 710 . 1 1 A 56 56 THR HA H 56 4.036 4.244 -0.208 2
1 715 . 1 1 A 56 56 THR C C 56 178.637 176.282 2.355 2
1 716 . 1 1 A 56 56 THR CA C 56 65.800 65.685 0.115 2
1 717 . 1 1 A 56 56 THR CB C 56 68.341 68.505 -0.165 2
1 719 . 1 1 A 56 56 THR N N 56 113.338 114.129 -0.791 2
1 720 . 1 1 A 57 57 ASP H H 57 8.384 8.333 0.051 2
1 721 . 1 1 A 57 57 ASP HA H 57 4.467 4.398 0.069 2
1 724 . 1 1 A 57 57 ASP CA C 57 57.400 57.669 -0.269 2
1 725 . 1 1 A 57 57 ASP CB C 57 39.938 41.164 -1.226 2
1 726 . 1 1 A 57 57 ASP N N 57 124.402 122.075 2.327 2
1 727 . 1 1 A 58 58 LYS H H 58 8.266 8.036 0.230 2
1 728 . 1 1 A 58 58 LYS HA H 58 4.172 4.022 0.150 2
1 740 . 1 1 A 58 58 LYS C C 58 178.378 178.624 -0.246 2
1 741 . 1 1 A 58 58 LYS CA C 58 57.695 59.122 -1.427 2
1 742 . 1 1 A 58 58 LYS CB C 58 31.763 32.037 -0.274 2
1 746 . 1 1 A 58 58 LYS N N 58 120.194 120.101 0.093 2
1 747 . 1 1 A 59 59 LEU H H 59 7.302 7.393 -0.091 2
1 748 . 1 1 A 59 59 LEU HA H 59 3.907 3.954 -0.047 2
1 758 . 1 1 A 59 59 LEU C C 59 177.909 178.387 -0.478 2
1 759 . 1 1 A 59 59 LEU CA C 59 57.979 57.992 -0.013 2
1 760 . 1 1 A 59 59 LEU CB C 59 41.727 41.656 0.071 2
1 764 . 1 1 A 59 59 LEU N N 59 118.583 120.801 -2.218 2
1 765 . 1 1 A 60 60 THR H H 60 8.500 8.146 0.354 2
1 766 . 1 1 A 60 60 THR HA H 60 3.845 4.073 -0.228 2
1 771 . 1 1 A 60 60 THR C C 60 176.502 177.246 -0.744 2
1 772 . 1 1 A 60 60 THR CA C 60 66.691 65.620 1.071 2
1 773 . 1 1 A 60 60 THR CB C 60 68.390 68.351 0.039 2
1 775 . 1 1 A 60 60 THR N N 60 115.462 112.072 3.390 2
1 776 . 1 1 A 61 61 THR H H 61 7.996 7.930 0.066 2
1 777 . 1 1 A 61 61 THR HA H 61 4.053 3.943 0.110 2
1 782 . 1 1 A 61 61 THR C C 61 176.502 176.513 -0.011 2
1 783 . 1 1 A 61 61 THR CA C 61 66.420 66.995 -0.575 2
1 784 . 1 1 A 61 61 THR CB C 61 68.549 68.068 0.481 2
1 786 . 1 1 A 61 61 THR N N 61 117.698 116.701 0.997 2
1 787 . 1 1 A 62 62 LEU H H 62 7.717 7.916 -0.199 2
1 788 . 1 1 A 62 62 LEU HA H 62 3.542 3.598 -0.056 2
1 798 . 1 1 A 62 62 LEU C C 62 178.612 179.085 -0.473 2
1 799 . 1 1 A 62 62 LEU CA C 62 57.988 57.668 0.320 2
1 800 . 1 1 A 62 62 LEU CB C 62 40.241 40.979 -0.738 2
1 804 . 1 1 A 62 62 LEU N N 62 122.534 120.829 1.706 2
1 805 . 1 1 A 63 63 MET H H 63 8.230 7.974 0.256 2
1 806 . 1 1 A 63 63 MET HA H 63 3.771 4.115 -0.344 2
1 814 . 1 1 A 63 63 MET C C 63 177.674 178.125 -0.451 2
1 815 . 1 1 A 63 63 MET CA C 63 60.699 58.725 1.974 2
1 816 . 1 1 A 63 63 MET CB C 63 33.024 32.408 0.616 2
1 819 . 1 1 A 63 63 MET N N 63 116.719 117.405 -0.686 2
1 820 . 1 1 A 64 64 ASP H H 64 8.263 8.027 0.236 2
1 821 . 1 1 A 64 64 ASP HA H 64 4.401 4.325 0.075 2
1 824 . 1 1 A 64 64 ASP C C 64 178.378 178.494 -0.116 2
1 825 . 1 1 A 64 64 ASP CA C 64 57.400 57.268 0.132 2
1 826 . 1 1 A 64 64 ASP CB C 64 40.703 41.706 -1.003 2
1 827 . 1 1 A 64 64 ASP N N 64 118.611 120.583 -1.972 2
1 828 . 1 1 A 65 65 LYS H H 65 7.755 7.705 0.050 2
1 829 . 1 1 A 65 65 LYS HA H 65 3.970 4.085 -0.115 2
1 838 . 1 1 A 65 65 LYS C C 65 179.922 179.422 0.500 2
1 839 . 1 1 A 65 65 LYS CA C 65 59.466 59.439 0.027 2
1 840 . 1 1 A 65 65 LYS CB C 65 32.372 32.655 -0.283 2
1 844 . 1 1 A 65 65 LYS N N 65 118.452 118.530 -0.078 2
1 845 . 1 1 A 66 66 LEU H H 66 7.768 8.247 -0.479 2
1 846 . 1 1 A 66 66 LEU HA H 66 4.066 4.172 -0.106 2
1 856 . 1 1 A 66 66 LEU C C 66 177.557 179.127 -1.570 2
1 857 . 1 1 A 66 66 LEU CA C 66 57.550 57.155 0.395 2
1 858 . 1 1 A 66 66 LEU CB C 66 43.218 41.503 1.715 2
1 862 . 1 1 A 66 66 LEU N N 66 118.471 119.813 -1.342 2
1 863 . 1 1 A 67 67 ARG H H 67 8.017 8.284 -0.267 2
1 864 . 1 1 A 67 67 ARG HA H 67 3.855 4.208 -0.353 2
1 872 . 1 1 A 67 67 ARG C C 67 177.440 177.838 -0.398 2
1 873 . 1 1 A 67 67 ARG CA C 67 58.584 58.342 0.242 2
1 874 . 1 1 A 67 67 ARG CB C 67 30.313 29.978 0.335 2
1 877 . 1 1 A 67 67 ARG N N 67 115.702 119.772 -4.070 2
1 879 . 1 1 A 68 68 LYS H H 68 7.168 7.630 -0.462 2
1 880 . 1 1 A 68 68 LYS HA H 68 4.198 4.338 -0.140 2
1 889 . 1 1 A 68 68 LYS C C 68 176.502 176.857 -0.355 2
1 890 . 1 1 A 68 68 LYS CA C 68 56.149 57.250 -1.101 2
1 891 . 1 1 A 68 68 LYS CB C 68 32.725 32.666 0.059 2
1 895 . 1 1 A 68 68 LYS N N 68 115.213 117.367 -2.154 2
1 896 . 1 1 A 69 69 VAL H H 69 7.348 7.378 -0.030 2
1 897 . 1 1 A 69 69 VAL HA H 69 3.776 4.177 -0.401 2
1 905 . 1 1 A 69 69 VAL C C 69 175.916 177.412 -1.496 2
1 906 . 1 1 A 69 69 VAL CA C 69 63.134 62.996 0.138 2
1 907 . 1 1 A 69 69 VAL CB C 69 31.075 31.805 -0.730 2
1 910 . 1 1 A 69 69 VAL N N 69 123.611 120.379 3.232 2
1 911 . 1 1 A 70 70 GLN H H 70 8.632 8.695 -0.063 2
1 912 . 1 1 A 70 70 GLN HA H 70 4.072 4.123 -0.051 2
1 919 . 1 1 A 70 70 GLN C C 70 176.151 177.463 -1.312 2
1 920 . 1 1 A 70 70 GLN CA C 70 57.800 58.051 -0.251 2
1 921 . 1 1 A 70 70 GLN CB C 70 28.100 28.198 -0.098 2
1 923 . 1 1 A 70 70 GLN N N 70 130.070 126.473 3.597 2
1 925 . 1 1 A 71 71 GLY H H 71 8.783 8.161 0.622 2
1 926 . 1 1 A 71 71 GLY HA2 H 71 4.598 4.049 0.549 2
1 927 . 1 1 A 71 71 GLY HA3 H 71 3.677 4.063 -0.386 2
1 928 . 1 1 A 71 71 GLY C C 71 173.924 174.202 -0.278 2
1 929 . 1 1 A 71 71 GLY CA C 71 44.941 45.562 -0.621 2
1 930 . 1 1 A 71 71 GLY N N 71 113.801 107.852 5.949 2
1 931 . 1 1 A 72 72 VAL H H 72 7.805 7.580 0.225 2
1 932 . 1 1 A 72 72 VAL HA H 72 3.723 3.850 -0.127 2
1 940 . 1 1 A 72 72 VAL C C 72 176.502 176.214 0.288 2
1 941 . 1 1 A 72 72 VAL CA C 72 64.020 62.313 1.707 2
1 942 . 1 1 A 72 72 VAL CB C 72 32.003 32.558 -0.555 2
1 945 . 1 1 A 72 72 VAL N N 72 120.334 120.374 -0.040 2
1 946 . 1 1 A 73 73 PHE H H 73 9.522 7.606 1.915 2
1 947 . 1 1 A 73 73 PHE HA H 73 5.109 4.886 0.223 2
1 955 . 1 1 A 73 73 PHE C C 73 176.502 174.548 1.954 2
1 956 . 1 1 A 73 73 PHE CA C 73 56.354 56.673 -0.319 2
1 957 . 1 1 A 73 73 PHE CB C 73 39.615 40.523 -0.908 2
1 961 . 1 1 A 73 73 PHE N N 73 127.542 121.808 5.734 2
1 962 . 1 1 A 74 74 THR H H 74 7.972 7.392 0.580 2
1 963 . 1 1 A 74 74 THR HA H 74 4.736 4.883 -0.147 2
1 968 . 1 1 A 74 74 THR C C 74 172.400 173.484 -1.084 2
1 969 . 1 1 A 74 74 THR CA C 74 60.604 60.594 0.010 2
1 970 . 1 1 A 74 74 THR CB C 74 72.576 71.278 1.298 2
1 972 . 1 1 A 74 74 THR N N 74 111.809 110.341 1.468 2
1 973 . 1 1 A 75 75 VAL H H 75 8.584 8.941 -0.357 2
1 974 . 1 1 A 75 75 VAL HA H 75 4.878 4.878 0.000 2
1 982 . 1 1 A 75 75 VAL C C 75 174.510 174.927 -0.417 2
1 983 . 1 1 A 75 75 VAL CA C 75 61.844 61.621 0.223 2
1 984 . 1 1 A 75 75 VAL CB C 75 34.500 33.983 0.517 2
1 987 . 1 1 A 75 75 VAL N N 75 122.820 125.195 -2.375 2
1 988 . 1 1 A 76 76 GLU H H 76 9.029 8.905 0.124 2
1 989 . 1 1 A 76 76 GLU HA H 76 4.861 4.948 -0.087 2
1 994 . 1 1 A 76 76 GLU C C 76 174.510 174.547 -0.037 2
1 995 . 1 1 A 76 76 GLU CA C 76 53.757 54.329 -0.572 2
1 996 . 1 1 A 76 76 GLU CB C 76 34.230 33.545 0.685 2
1 998 . 1 1 A 76 76 GLU N N 76 124.572 125.420 -0.848 2
1 999 . 1 1 A 77 77 ARG H H 77 8.962 8.554 0.408 2
1 1000 . 1 1 A 77 77 ARG HA H 77 4.736 4.756 -0.020 2
1 1008 . 1 1 A 77 77 ARG C C 77 176.502 175.575 0.927 2
1 1009 . 1 1 A 77 77 ARG CA C 77 55.521 55.915 -0.394 2
1 1010 . 1 1 A 77 77 ARG CB C 77 30.893 31.517 -0.624 2
1 1013 . 1 1 A 77 77 ARG N N 77 122.875 123.196 -0.321 2
1 1015 . 1 1 A 78 78 LEU H H 78 8.252 9.168 -0.916 2
1 1016 . 1 1 A 78 78 LEU HA H 78 4.505 4.574 -0.068 2
1 1026 . 1 1 A 78 78 LEU C C 78 176.737 177.461 -0.724 2
1 1027 . 1 1 A 78 78 LEU CA C 78 53.875 54.253 -0.378 2
1 1028 . 1 1 A 78 78 LEU CB C 78 43.228 41.436 1.792 2
1 1032 . 1 1 A 78 78 LEU N N 78 127.062 127.431 -0.369 2
1 1033 . 1 1 A 79 79 SER H H 79 8.635 8.801 -0.166 2
1 1034 . 1 1 A 79 79 SER HA H 79 4.492 4.418 0.075 2
1 1037 . 1 1 A 79 79 SER C C 79 174.041 174.482 -0.441 2
1 1038 . 1 1 A 79 79 SER CA C 79 58.465 60.647 -2.182 2
1 1039 . 1 1 A 79 79 SER CB C 79 63.993 63.395 0.598 2
1 1040 . 1 1 A 79 79 SER N N 79 118.446 119.799 -1.353 2
1 1041 . 1 1 A 80 80 ASN H H 80 8.421 7.906 0.515 2
1 1042 . 1 1 A 80 80 ASN HA H 80 4.668 4.818 -0.150 2
1 1047 . 1 1 A 80 80 ASN C C 80 175.096 174.449 0.647 2
1 1048 . 1 1 A 80 80 ASN CA C 80 53.300 52.880 0.420 2
1 1049 . 1 1 A 80 80 ASN CB C 80 38.300 38.787 -0.487 2
1 1050 . 1 1 A 80 80 ASN N N 80 119.339 118.332 1.007 2
1 1052 . 1 1 A 81 81 LEU H H 81 8.256 8.948 -0.692 2
1 1053 . 1 1 A 81 81 LEU HA H 81 4.258 4.973 -0.715 2
1 1063 . 1 1 A 81 81 LEU C C 81 177.323 177.407 -0.084 2
1 1064 . 1 1 A 81 81 LEU CA C 81 55.263 53.556 1.707 2
1 1065 . 1 1 A 81 81 LEU CB C 81 41.756 44.204 -2.448 2
1 1069 . 1 1 A 81 81 LEU N N 81 121.238 126.264 -5.026 2
1 1070 . 1 1 A 82 82 GLU H H 82 8.282 8.852 -0.570 2
1 1071 . 1 1 A 82 82 GLU HA H 82 4.169 4.496 -0.327 2
1 1076 . 1 1 A 82 82 GLU C C 82 176.385 176.565 -0.180 2
1 1077 . 1 1 A 82 82 GLU CA C 82 56.762 56.331 0.431 2
1 1078 . 1 1 A 82 82 GLU CB C 82 29.997 29.244 0.753 2
1 1080 . 1 1 A 82 82 GLU N N 82 120.037 120.073 -0.036 2
1 1081 . 1 1 A 83 83 HIS H H 83 8.195 7.969 0.226 2
1 1082 . 1 1 A 83 83 HIS HA H 83 4.535 4.556 -0.021 2
1 1087 . 1 1 A 83 83 HIS C C 83 175.081 174.856 0.225 2
1 1088 . 1 1 A 83 83 HIS CA C 83 55.951 55.928 0.023 2
1 1089 . 1 1 A 83 83 HIS CB C 83 30.366 29.289 1.077 2
stop_
save_