data_10211_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10211
_Entry.PDB_ID 2YUQ
_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 7 7 GLY CA C 7 45.365 45.325 0.040 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.970 3.968 0.002 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.824 3.968 -0.144 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.351 173.541 0.810 1
1 5 . 1 1 1 A 8 8 GLU N N 8 120.458 119.508 0.950 1
1 6 . 1 1 1 A 8 8 GLU H H 8 8.288 7.752 0.536 1
1 7 . 1 1 1 A 8 8 GLU CA C 8 56.663 55.194 1.469 1
1 8 . 1 1 1 A 8 8 GLU HA H 8 4.254 4.686 -0.432 1
1 9 . 1 1 1 A 8 8 GLU CB C 8 30.248 31.227 -0.979 1
1 15 . 1 1 1 A 8 8 GLU C C 8 176.364 175.242 1.122 1
1 16 . 1 1 1 A 9 9 ASP N N 9 120.849 126.272 -5.423 1
1 17 . 1 1 1 A 9 9 ASP H H 9 8.379 8.873 -0.494 1
1 18 . 1 1 1 A 9 9 ASP CA C 9 54.402 53.982 0.420 1
1 19 . 1 1 1 A 9 9 ASP HA H 9 4.543 4.819 -0.276 1
1 20 . 1 1 1 A 9 9 ASP CB C 9 41.035 40.673 0.362 1
1 23 . 1 1 1 A 9 9 ASP C C 9 176.003 175.460 0.543 1
1 24 . 1 1 1 A 10 10 ASN N N 10 119.270 124.037 -4.767 1
1 25 . 1 1 1 A 10 10 ASN H H 10 8.303 9.025 -0.722 1
1 26 . 1 1 1 A 10 10 ASN CA C 10 53.233 51.563 1.670 1
1 27 . 1 1 1 A 10 10 ASN HA H 10 4.654 5.048 -0.394 1
1 28 . 1 1 1 A 10 10 ASN CB C 10 38.832 39.103 -0.271 1
1 34 . 1 1 1 A 10 10 ASN C C 10 175.079 174.116 0.963 1
1 35 . 1 1 1 A 11 11 ARG N N 11 120.795 124.026 -3.231 1
1 36 . 1 1 1 A 11 11 ARG H H 11 8.132 7.830 0.302 1
1 37 . 1 1 1 A 11 11 ARG CA C 11 56.092 55.478 0.614 1
1 38 . 1 1 1 A 11 11 ARG HA H 11 4.257 4.452 -0.195 1
1 39 . 1 1 1 A 11 11 ARG CB C 11 30.721 29.930 0.791 1
1 48 . 1 1 1 A 11 11 ARG C C 11 176.045 174.910 1.135 1
1 49 . 1 1 1 A 12 12 ARG N N 12 123.167 126.199 -3.032 1
1 50 . 1 1 1 A 12 12 ARG H H 12 8.222 8.069 0.153 1
1 51 . 1 1 1 A 12 12 ARG CA C 12 53.918 54.242 -0.324 1
1 52 . 1 1 1 A 12 12 ARG HA H 12 4.506 4.633 -0.127 1
1 53 . 1 1 1 A 12 12 ARG CB C 12 29.923 29.550 0.373 1
1 62 . 1 1 1 A 12 12 ARG C C 12 174.073 174.208 -0.135 1
1 63 . 1 1 1 A 13 13 PRO CA C 13 62.815 62.518 0.297 1
1 64 . 1 1 1 A 13 13 PRO HA H 13 4.255 4.678 -0.423 1
1 65 . 1 1 1 A 13 13 PRO CB C 13 31.903 33.522 -1.619 1
1 74 . 1 1 1 A 13 13 PRO C C 13 176.315 176.676 -0.361 1
1 75 . 1 1 1 A 14 14 LEU N N 14 122.009 119.806 2.203 1
1 76 . 1 1 1 A 14 14 LEU H H 14 8.090 8.629 -0.539 1
1 77 . 1 1 1 A 14 14 LEU CA C 14 55.286 55.723 -0.437 1
1 78 . 1 1 1 A 14 14 LEU HA H 14 4.065 4.269 -0.204 1
1 79 . 1 1 1 A 14 14 LEU CB C 14 42.258 42.581 -0.323 1
1 92 . 1 1 1 A 14 14 LEU C C 14 176.610 177.108 -0.498 1
1 93 . 1 1 1 A 15 15 TRP N N 15 120.219 118.703 1.516 1
1 94 . 1 1 1 A 15 15 TRP H H 15 7.582 7.403 0.179 1
1 95 . 1 1 1 A 15 15 TRP CA C 15 56.114 57.816 -1.702 1
1 96 . 1 1 1 A 15 15 TRP HA H 15 4.803 4.730 0.073 1
1 97 . 1 1 1 A 15 15 TRP CB C 15 29.845 29.810 0.035 1
1 112 . 1 1 1 A 15 15 TRP C C 15 176.093 176.137 -0.044 1
1 113 . 1 1 1 A 16 16 GLU N N 16 124.270 119.649 4.621 1
1 114 . 1 1 1 A 16 16 GLU H H 16 8.901 8.697 0.204 1
1 115 . 1 1 1 A 16 16 GLU CA C 16 54.729 53.066 1.663 1
1 116 . 1 1 1 A 16 16 GLU HA H 16 4.471 4.850 -0.379 1
1 117 . 1 1 1 A 16 16 GLU CB C 16 29.173 30.662 -1.489 1
1 123 . 1 1 1 A 16 16 GLU C C 16 175.525 176.183 -0.658 1
1 124 . 1 1 1 A 17 17 PRO CA C 17 64.535 64.260 0.275 1
1 125 . 1 1 1 A 17 17 PRO HA H 17 4.306 4.498 -0.192 1
1 126 . 1 1 1 A 17 17 PRO CB C 17 32.105 31.735 0.370 1
1 135 . 1 1 1 A 17 17 PRO C C 17 177.261 177.918 -0.657 1
1 136 . 1 1 1 A 18 18 GLU N N 18 116.089 116.603 -0.514 1
1 137 . 1 1 1 A 18 18 GLU H H 18 8.459 8.376 0.083 1
1 138 . 1 1 1 A 18 18 GLU CA C 18 57.215 59.123 -1.908 1
1 139 . 1 1 1 A 18 18 GLU HA H 18 4.203 4.249 -0.046 1
1 140 . 1 1 1 A 18 18 GLU CB C 18 29.321 30.416 -1.095 1
1 146 . 1 1 1 A 18 18 GLU C C 18 176.941 176.816 0.125 1
1 147 . 1 1 1 A 19 19 GLU N N 19 120.173 119.362 0.811 1
1 148 . 1 1 1 A 19 19 GLU H H 19 7.861 7.847 0.014 1
1 149 . 1 1 1 A 19 19 GLU CA C 19 56.170 56.310 -0.140 1
1 150 . 1 1 1 A 19 19 GLU HA H 19 4.257 4.395 -0.138 1
1 151 . 1 1 1 A 19 19 GLU CB C 19 30.012 30.070 -0.058 1
1 157 . 1 1 1 A 19 19 GLU C C 19 176.182 176.235 -0.053 1
1 158 . 1 1 1 A 20 20 THR N N 20 120.847 117.543 3.304 1
1 159 . 1 1 1 A 20 20 THR H H 20 9.010 8.569 0.441 1
1 160 . 1 1 1 A 20 20 THR CA C 20 63.200 63.194 0.006 1
1 161 . 1 1 1 A 20 20 THR HA H 20 4.188 4.445 -0.257 1
1 162 . 1 1 1 A 20 20 THR CB C 20 69.394 68.838 0.556 1
1 168 . 1 1 1 A 20 20 THR C C 20 172.501 174.033 -1.532 1
1 169 . 1 1 1 A 21 21 VAL N N 21 128.753 128.265 0.488 1
1 170 . 1 1 1 A 21 21 VAL H H 21 8.497 8.860 -0.363 1
1 171 . 1 1 1 A 21 21 VAL CA C 21 61.422 60.871 0.551 1
1 172 . 1 1 1 A 21 21 VAL HA H 21 4.546 4.579 -0.033 1
1 173 . 1 1 1 A 21 21 VAL CB C 21 33.236 33.212 0.024 1
1 183 . 1 1 1 A 21 21 VAL C C 21 175.700 175.516 0.184 1
1 184 . 1 1 1 A 22 22 VAL N N 22 119.061 121.933 -2.872 1
1 185 . 1 1 1 A 22 22 VAL H H 22 9.159 8.839 0.320 1
1 186 . 1 1 1 A 22 22 VAL CA C 22 57.799 59.469 -1.670 1
1 187 . 1 1 1 A 22 22 VAL HA H 22 5.187 5.403 -0.216 1
1 188 . 1 1 1 A 22 22 VAL CB C 22 35.307 34.568 0.739 1
1 198 . 1 1 1 A 22 22 VAL C C 22 173.461 174.470 -1.009 1
1 199 . 1 1 1 A 23 23 ILE N N 23 120.660 121.626 -0.966 1
1 200 . 1 1 1 A 23 23 ILE H H 23 9.354 8.670 0.684 1
1 201 . 1 1 1 A 23 23 ILE CA C 23 58.793 59.925 -1.132 1
1 202 . 1 1 1 A 23 23 ILE HA H 23 5.082 4.989 0.093 1
1 203 . 1 1 1 A 23 23 ILE CB C 23 41.289 41.771 -0.482 1
1 216 . 1 1 1 A 23 23 ILE C C 23 176.270 174.313 1.957 1
1 217 . 1 1 1 A 24 24 ALA N N 24 125.421 127.938 -2.517 1
1 218 . 1 1 1 A 24 24 ALA H H 24 8.184 8.497 -0.313 1
1 219 . 1 1 1 A 24 24 ALA CA C 24 51.461 51.155 0.306 1
1 220 . 1 1 1 A 24 24 ALA HA H 24 4.982 4.899 0.083 1
1 221 . 1 1 1 A 24 24 ALA CB C 24 20.231 19.897 0.334 1
1 225 . 1 1 1 A 24 24 ALA C C 24 178.664 178.060 0.604 1
1 226 . 1 1 1 A 25 25 LEU N N 25 126.185 125.086 1.099 1
1 227 . 1 1 1 A 25 25 LEU H H 25 9.388 8.700 0.688 1
1 228 . 1 1 1 A 25 25 LEU CA C 25 55.799 55.927 -0.128 1
1 229 . 1 1 1 A 25 25 LEU HA H 25 3.875 3.894 -0.019 1
1 230 . 1 1 1 A 25 25 LEU CB C 25 43.786 42.328 1.458 1
1 243 . 1 1 1 A 25 25 LEU C C 25 175.686 176.469 -0.783 1
1 244 . 1 1 1 A 26 26 TYR N N 26 110.488 115.784 -5.296 1
1 245 . 1 1 1 A 26 26 TYR H H 26 6.878 7.487 -0.609 1
1 246 . 1 1 1 A 26 26 TYR CA C 26 53.575 56.181 -2.606 1
1 247 . 1 1 1 A 26 26 TYR HA H 26 4.744 5.238 -0.494 1
1 248 . 1 1 1 A 26 26 TYR CB C 26 42.393 42.630 -0.237 1
1 259 . 1 1 1 A 26 26 TYR C C 26 173.800 174.313 -0.513 1
1 260 . 1 1 1 A 27 27 ASP N N 27 117.327 122.154 -4.827 1
1 261 . 1 1 1 A 27 27 ASP H H 27 8.278 8.699 -0.421 1
1 262 . 1 1 1 A 27 27 ASP CA C 27 54.522 53.433 1.089 1
1 263 . 1 1 1 A 27 27 ASP HA H 27 4.639 5.204 -0.565 1
1 264 . 1 1 1 A 27 27 ASP CB C 27 41.944 40.463 1.481 1
1 267 . 1 1 1 A 27 27 ASP C C 27 176.000 175.041 0.959 1
1 268 . 1 1 1 A 28 28 TYR N N 28 121.747 126.663 -4.916 1
1 269 . 1 1 1 A 28 28 TYR H H 28 8.724 9.262 -0.538 1
1 270 . 1 1 1 A 28 28 TYR CA C 28 57.938 59.375 -1.437 1
1 271 . 1 1 1 A 28 28 TYR HA H 28 4.934 4.825 0.109 1
1 272 . 1 1 1 A 28 28 TYR CB C 28 42.161 39.335 2.826 1
1 283 . 1 1 1 A 28 28 TYR C C 28 173.834 174.947 -1.113 1
1 284 . 1 1 1 A 29 29 GLN N N 29 126.180 123.832 2.348 1
1 285 . 1 1 1 A 29 29 GLN H H 29 7.959 8.449 -0.490 1
1 286 . 1 1 1 A 29 29 GLN CA C 29 54.153 53.636 0.517 1
1 287 . 1 1 1 A 29 29 GLN HA H 29 4.507 4.913 -0.406 1
1 288 . 1 1 1 A 29 29 GLN CB C 29 29.854 32.579 -2.725 1
1 297 . 1 1 1 A 29 29 GLN C C 29 173.966 173.268 0.698 1
1 298 . 1 1 1 A 30 30 THR N N 30 115.009 114.280 0.729 1
1 299 . 1 1 1 A 30 30 THR H H 30 7.982 8.407 -0.425 1
1 300 . 1 1 1 A 30 30 THR CA C 30 59.769 59.960 -0.191 1
1 301 . 1 1 1 A 30 30 THR HA H 30 4.319 4.798 -0.479 1
1 302 . 1 1 1 A 30 30 THR CB C 30 69.002 70.474 -1.472 1
1 308 . 1 1 1 A 30 30 THR C C 30 172.388 172.961 -0.573 1
1 309 . 1 1 1 A 31 31 ASN N N 31 121.715 121.416 0.299 1
1 310 . 1 1 1 A 31 31 ASN H H 31 8.702 8.525 0.177 1
1 311 . 1 1 1 A 31 31 ASN CA C 31 52.449 52.959 -0.510 1
1 312 . 1 1 1 A 31 31 ASN HA H 31 4.787 5.058 -0.271 1
1 313 . 1 1 1 A 31 31 ASN CB C 31 39.822 39.285 0.537 1
1 319 . 1 1 1 A 31 31 ASN C C 31 174.579 173.099 1.480 1
1 320 . 1 1 1 A 32 32 ASP N N 32 124.854 119.221 5.633 1
1 321 . 1 1 1 A 32 32 ASP H H 32 8.333 7.594 0.739 1
1 322 . 1 1 1 A 32 32 ASP CA C 32 51.996 50.563 1.433 1
1 323 . 1 1 1 A 32 32 ASP HA H 32 4.827 4.977 -0.150 1
1 324 . 1 1 1 A 32 32 ASP CB C 32 43.075 42.643 0.432 1
1 327 . 1 1 1 A 32 32 ASP C C 32 176.135 175.756 0.379 1
1 328 . 1 1 1 A 33 33 PRO CA C 33 64.451 64.875 -0.424 1
1 329 . 1 1 1 A 33 33 PRO HA H 33 4.490 4.284 0.206 1
1 330 . 1 1 1 A 33 33 PRO CB C 33 32.425 31.975 0.450 1
1 339 . 1 1 1 A 33 33 PRO C C 33 177.612 178.472 -0.860 1
1 340 . 1 1 1 A 34 34 GLN N N 34 116.032 115.372 0.660 1
1 341 . 1 1 1 A 34 34 GLN H H 34 8.906 8.675 0.231 1
1 342 . 1 1 1 A 34 34 GLN CA C 34 56.080 57.647 -1.567 1
1 343 . 1 1 1 A 34 34 GLN HA H 34 4.559 4.084 0.475 1
1 344 . 1 1 1 A 34 34 GLN CB C 34 29.488 27.714 1.774 1
1 353 . 1 1 1 A 34 34 GLN C C 34 176.811 176.137 0.674 1
1 354 . 1 1 1 A 35 35 GLU N N 35 120.585 120.353 0.232 1
1 355 . 1 1 1 A 35 35 GLU H H 35 7.905 7.900 0.005 1
1 356 . 1 1 1 A 35 35 GLU CA C 35 55.147 54.730 0.417 1
1 357 . 1 1 1 A 35 35 GLU HA H 35 5.370 4.782 0.588 1
1 358 . 1 1 1 A 35 35 GLU CB C 35 33.394 31.122 2.272 1
1 364 . 1 1 1 A 35 35 GLU C C 35 174.508 174.992 -0.484 1
1 365 . 1 1 1 A 36 36 LEU N N 36 122.127 124.429 -2.302 1
1 366 . 1 1 1 A 36 36 LEU H H 36 7.553 8.497 -0.944 1
1 367 . 1 1 1 A 36 36 LEU CA C 36 53.375 53.583 -0.208 1
1 368 . 1 1 1 A 36 36 LEU HA H 36 4.415 5.229 -0.814 1
1 369 . 1 1 1 A 36 36 LEU CB C 36 45.685 45.910 -0.225 1
1 382 . 1 1 1 A 36 36 LEU C C 36 173.533 175.028 -1.495 1
1 383 . 1 1 1 A 37 37 ALA N N 37 124.419 128.760 -4.341 1
1 384 . 1 1 1 A 37 37 ALA H H 37 7.813 8.728 -0.915 1
1 385 . 1 1 1 A 37 37 ALA CA C 37 51.854 51.199 0.655 1
1 386 . 1 1 1 A 37 37 ALA HA H 37 4.581 4.733 -0.152 1
1 387 . 1 1 1 A 37 37 ALA CB C 37 19.371 19.589 -0.218 1
1 391 . 1 1 1 A 37 37 ALA C C 37 177.822 177.426 0.396 1
1 392 . 1 1 1 A 38 38 LEU N N 38 116.787 123.975 -7.188 1
1 393 . 1 1 1 A 38 38 LEU H H 38 8.656 8.893 -0.237 1
1 394 . 1 1 1 A 38 38 LEU CA C 38 52.952 55.142 -2.190 1
1 395 . 1 1 1 A 38 38 LEU HA H 38 5.026 4.187 0.839 1
1 396 . 1 1 1 A 38 38 LEU CB C 38 45.223 42.329 2.894 1
1 409 . 1 1 1 A 38 38 LEU C C 38 177.842 176.443 1.399 1
1 410 . 1 1 1 A 39 39 ARG N N 39 123.462 122.448 1.014 1
1 411 . 1 1 1 A 39 39 ARG H H 39 8.333 8.940 -0.607 1
1 412 . 1 1 1 A 39 39 ARG CA C 39 53.731 54.330 -0.599 1
1 413 . 1 1 1 A 39 39 ARG HA H 39 4.977 5.189 -0.212 1
1 414 . 1 1 1 A 39 39 ARG CB C 39 32.431 34.136 -1.705 1
1 423 . 1 1 1 A 39 39 ARG C C 39 174.595 175.391 -0.796 1
1 424 . 1 1 1 A 40 40 ARG N N 40 123.974 127.759 -3.785 1
1 425 . 1 1 1 A 40 40 ARG H H 40 8.899 8.762 0.137 1
1 426 . 1 1 1 A 40 40 ARG CA C 40 58.302 57.943 0.359 1
1 427 . 1 1 1 A 40 40 ARG HA H 40 3.350 3.986 -0.636 1
1 428 . 1 1 1 A 40 40 ARG CB C 40 30.480 29.983 0.497 1
1 437 . 1 1 1 A 40 40 ARG C C 40 176.432 177.028 -0.596 1
1 438 . 1 1 1 A 41 41 ASN N N 41 117.655 118.943 -1.288 1
1 439 . 1 1 1 A 41 41 ASN H H 41 9.246 9.039 0.207 1
1 440 . 1 1 1 A 41 41 ASN CA C 41 55.859 54.404 1.455 1
1 441 . 1 1 1 A 41 41 ASN HA H 41 4.227 4.346 -0.119 1
1 442 . 1 1 1 A 41 41 ASN CB C 41 37.555 36.939 0.616 1
1 448 . 1 1 1 A 41 41 ASN C C 41 174.318 174.010 0.308 1
1 449 . 1 1 1 A 42 42 GLU N N 42 122.758 117.288 5.470 1
1 450 . 1 1 1 A 42 42 GLU H H 42 8.419 7.737 0.682 1
1 451 . 1 1 1 A 42 42 GLU CA C 42 56.625 54.987 1.638 1
1 452 . 1 1 1 A 42 42 GLU HA H 42 4.445 4.777 -0.332 1
1 453 . 1 1 1 A 42 42 GLU CB C 42 29.887 32.464 -2.577 1
1 459 . 1 1 1 A 42 42 GLU C C 42 173.885 175.297 -1.412 1
1 460 . 1 1 1 A 43 43 GLU N N 43 119.431 123.408 -3.977 1
1 461 . 1 1 1 A 43 43 GLU H H 43 7.901 8.756 -0.855 1
1 462 . 1 1 1 A 43 43 GLU CA C 43 54.997 56.543 -1.546 1
1 463 . 1 1 1 A 43 43 GLU HA H 43 5.106 5.032 0.074 1
1 464 . 1 1 1 A 43 43 GLU CB C 43 32.392 31.096 1.296 1
1 470 . 1 1 1 A 43 43 GLU C C 43 175.285 175.455 -0.170 1
1 471 . 1 1 1 A 44 44 TYR N N 44 118.011 118.611 -0.600 1
1 472 . 1 1 1 A 44 44 TYR H H 44 9.196 8.976 0.220 1
1 473 . 1 1 1 A 44 44 TYR CA C 44 56.847 56.462 0.385 1
1 474 . 1 1 1 A 44 44 TYR HA H 44 4.708 4.742 -0.034 1
1 475 . 1 1 1 A 44 44 TYR CB C 44 42.218 42.474 -0.256 1
1 486 . 1 1 1 A 44 44 TYR C C 44 173.315 174.376 -1.061 1
1 487 . 1 1 1 A 45 45 CYS N N 45 120.674 123.640 -2.966 1
1 488 . 1 1 1 A 45 45 CYS H H 45 8.803 8.432 0.371 1
1 489 . 1 1 1 A 45 45 CYS CA C 45 57.318 58.856 -1.538 1
1 490 . 1 1 1 A 45 45 CYS HA H 45 4.425 4.475 -0.050 1
1 491 . 1 1 1 A 45 45 CYS CB C 45 27.610 28.319 -0.709 1
1 494 . 1 1 1 A 45 45 CYS C C 45 174.817 174.149 0.668 1
1 495 . 1 1 1 A 46 46 LEU N N 46 129.242 127.663 1.579 1
1 496 . 1 1 1 A 46 46 LEU H H 46 8.803 8.299 0.504 1
1 497 . 1 1 1 A 46 46 LEU CA C 46 55.404 54.898 0.506 1
1 498 . 1 1 1 A 46 46 LEU HA H 46 4.224 4.454 -0.230 1
1 499 . 1 1 1 A 46 46 LEU CB C 46 42.929 42.261 0.668 1
1 512 . 1 1 1 A 46 46 LEU C C 46 174.895 175.993 -1.098 1
1 513 . 1 1 1 A 47 47 LEU N N 47 127.172 128.783 -1.611 1
1 514 . 1 1 1 A 47 47 LEU H H 47 8.780 8.812 -0.032 1
1 515 . 1 1 1 A 47 47 LEU CA C 47 55.322 57.068 -1.746 1
1 516 . 1 1 1 A 47 47 LEU HA H 47 4.478 4.193 0.285 1
1 517 . 1 1 1 A 47 47 LEU CB C 47 42.904 42.508 0.396 1
1 530 . 1 1 1 A 47 47 LEU C C 47 177.543 176.597 0.946 1
1 531 . 1 1 1 A 48 48 ASP N N 48 115.262 116.621 -1.359 1
1 532 . 1 1 1 A 48 48 ASP H H 48 7.516 7.621 -0.105 1
1 533 . 1 1 1 A 48 48 ASP CA C 48 54.649 53.189 1.460 1
1 534 . 1 1 1 A 48 48 ASP HA H 48 4.754 4.850 -0.096 1
1 535 . 1 1 1 A 48 48 ASP CB C 48 43.524 44.719 -1.195 1
1 538 . 1 1 1 A 48 48 ASP C C 48 175.044 175.062 -0.018 1
1 539 . 1 1 1 A 49 49 SER N N 49 123.571 116.901 6.670 1
1 540 . 1 1 1 A 49 49 SER H H 49 8.911 8.415 0.496 1
1 541 . 1 1 1 A 49 49 SER CA C 49 56.641 57.061 -0.420 1
1 542 . 1 1 1 A 49 49 SER HA H 49 4.019 4.141 -0.122 1
1 543 . 1 1 1 A 49 49 SER CB C 49 62.018 62.146 -0.128 1
1 546 . 1 1 1 A 49 49 SER C C 49 173.953 175.458 -1.505 1
1 547 . 1 1 1 A 50 50 SER N N 50 118.555 117.385 1.170 1
1 548 . 1 1 1 A 50 50 SER H H 50 8.528 7.921 0.607 1
1 549 . 1 1 1 A 50 50 SER CA C 50 61.824 61.596 0.228 1
1 550 . 1 1 1 A 50 50 SER HA H 50 4.050 4.054 -0.004 1
1 551 . 1 1 1 A 50 50 SER CB C 50 63.334 63.296 0.038 1
1 554 . 1 1 1 A 50 50 SER C C 50 175.507 174.383 1.124 1
1 555 . 1 1 1 A 51 51 GLU N N 51 123.653 118.565 5.088 1
1 556 . 1 1 1 A 51 51 GLU H H 51 8.756 8.232 0.524 1
1 557 . 1 1 1 A 51 51 GLU CA C 51 55.391 55.159 0.232 1
1 558 . 1 1 1 A 51 51 GLU HA H 51 4.690 4.657 0.033 1
1 559 . 1 1 1 A 51 51 GLU CB C 51 30.112 31.556 -1.444 1
1 565 . 1 1 1 A 51 51 GLU C C 51 176.574 176.283 0.291 1
1 566 . 1 1 1 A 52 52 ILE N N 52 117.495 121.713 -4.218 1
1 567 . 1 1 1 A 52 52 ILE H H 52 8.223 8.546 -0.323 1
1 568 . 1 1 1 A 52 52 ILE CA C 52 64.478 62.879 1.599 1
1 569 . 1 1 1 A 52 52 ILE HA H 52 3.946 4.323 -0.377 1
1 570 . 1 1 1 A 52 52 ILE CB C 52 38.365 38.433 -0.068 1
1 583 . 1 1 1 A 52 52 ILE C C 52 178.681 177.558 1.123 1
1 584 . 1 1 1 A 53 53 HIS N N 53 116.338 116.767 -0.429 1
1 585 . 1 1 1 A 53 53 HIS H H 53 8.529 7.487 1.042 1
1 586 . 1 1 1 A 53 53 HIS CA C 53 57.974 58.582 -0.608 1
1 587 . 1 1 1 A 53 53 HIS HA H 53 4.332 4.063 0.269 1
1 588 . 1 1 1 A 53 53 HIS CB C 53 31.646 29.847 1.799 1
1 595 . 1 1 1 A 53 53 HIS C C 53 175.678 174.311 1.367 1
1 596 . 1 1 1 A 54 54 TRP N N 54 120.664 117.321 3.343 1
1 597 . 1 1 1 A 54 54 TRP H H 54 7.298 7.686 -0.388 1
1 598 . 1 1 1 A 54 54 TRP CA C 54 55.972 55.505 0.467 1
1 599 . 1 1 1 A 54 54 TRP HA H 54 5.142 5.561 -0.419 1
1 600 . 1 1 1 A 54 54 TRP CB C 54 31.957 32.466 -0.509 1
1 615 . 1 1 1 A 54 54 TRP C C 54 174.289 175.172 -0.883 1
1 616 . 1 1 1 A 55 55 TRP N N 55 124.636 123.952 0.684 1
1 617 . 1 1 1 A 55 55 TRP H H 55 9.260 9.210 0.050 1
1 618 . 1 1 1 A 55 55 TRP CA C 55 53.365 55.714 -2.349 1
1 619 . 1 1 1 A 55 55 TRP HA H 55 5.503 5.262 0.241 1
1 620 . 1 1 1 A 55 55 TRP CB C 55 32.591 32.600 -0.009 1
1 635 . 1 1 1 A 55 55 TRP C C 55 174.620 175.574 -0.954 1
1 636 . 1 1 1 A 56 56 ARG N N 56 122.963 124.944 -1.981 1
1 637 . 1 1 1 A 56 56 ARG H H 56 8.876 8.861 0.015 1
1 638 . 1 1 1 A 56 56 ARG CA C 56 55.250 55.922 -0.672 1
1 639 . 1 1 1 A 56 56 ARG HA H 56 4.716 4.932 -0.216 1
1 640 . 1 1 1 A 56 56 ARG CB C 56 32.705 31.026 1.679 1
1 651 . 1 1 1 A 56 56 ARG C C 56 175.777 176.248 -0.471 1
1 652 . 1 1 1 A 57 57 VAL N N 57 119.683 120.140 -0.457 1
1 653 . 1 1 1 A 57 57 VAL H H 57 8.784 8.496 0.288 1
1 654 . 1 1 1 A 57 57 VAL CA C 57 58.632 58.831 -0.199 1
1 655 . 1 1 1 A 57 57 VAL HA H 57 5.356 5.292 0.064 1
1 656 . 1 1 1 A 57 57 VAL CB C 57 36.354 36.240 0.114 1
1 666 . 1 1 1 A 57 57 VAL C C 57 172.758 173.678 -0.920 1
1 667 . 1 1 1 A 58 58 GLN N N 58 118.904 120.582 -1.678 1
1 668 . 1 1 1 A 58 58 GLN H H 58 8.911 8.630 0.281 1
1 669 . 1 1 1 A 58 58 GLN CA C 58 53.324 54.185 -0.861 1
1 670 . 1 1 1 A 58 58 GLN HA H 58 5.677 5.239 0.438 1
1 671 . 1 1 1 A 58 58 GLN CB C 58 35.149 32.356 2.793 1
1 680 . 1 1 1 A 58 58 GLN C C 58 175.711 173.694 2.017 1
1 681 . 1 1 1 A 59 59 ASP N N 59 125.232 125.892 -0.660 1
1 682 . 1 1 1 A 59 59 ASP H H 59 9.274 8.970 0.304 1
1 683 . 1 1 1 A 59 59 ASP CA C 59 52.577 53.304 -0.727 1
1 684 . 1 1 1 A 59 59 ASP HA H 59 5.257 4.774 0.483 1
1 685 . 1 1 1 A 59 59 ASP CB C 59 43.563 42.176 1.387 1
1 688 . 1 1 1 A 59 59 ASP C C 59 178.615 177.630 0.985 1
1 689 . 1 1 1 A 60 60 ARG N N 60 117.439 123.099 -5.660 1
1 690 . 1 1 1 A 60 60 ARG H H 60 9.177 8.777 0.400 1
1 691 . 1 1 1 A 60 60 ARG CA C 60 57.908 58.340 -0.432 1
1 692 . 1 1 1 A 60 60 ARG HA H 60 3.987 4.096 -0.109 1
1 693 . 1 1 1 A 60 60 ARG CB C 60 29.590 29.663 -0.073 1
1 702 . 1 1 1 A 60 60 ARG C C 60 176.395 178.193 -1.798 1
1 703 . 1 1 1 A 61 61 ASN N N 61 117.081 115.806 1.275 1
1 704 . 1 1 1 A 61 61 ASN H H 61 8.294 7.806 0.488 1
1 705 . 1 1 1 A 61 61 ASN CA C 61 53.024 53.418 -0.394 1
1 706 . 1 1 1 A 61 61 ASN HA H 61 4.852 4.611 0.241 1
1 707 . 1 1 1 A 61 61 ASN CB C 61 39.662 39.345 0.317 1
1 713 . 1 1 1 A 61 61 ASN C C 61 175.197 175.386 -0.189 1
1 714 . 1 1 1 A 62 62 GLY N N 62 107.804 105.866 1.938 1
1 715 . 1 1 1 A 62 62 GLY H H 62 8.195 7.578 0.617 1
1 716 . 1 1 1 A 62 62 GLY CA C 62 45.423 45.193 0.230 1
1 717 . 1 1 1 A 62 62 GLY HA2 H 62 3.551 4.052 -0.501 1
1 718 . 1 1 1 A 62 62 GLY HA3 H 62 4.225 4.055 0.170 1
1 719 . 1 1 1 A 62 62 GLY C C 62 174.475 174.140 0.335 1
1 720 . 1 1 1 A 63 63 HIS N N 63 122.780 117.773 5.007 1
1 721 . 1 1 1 A 63 63 HIS H H 63 8.615 7.833 0.782 1
1 722 . 1 1 1 A 63 63 HIS CA C 63 55.653 54.804 0.849 1
1 723 . 1 1 1 A 63 63 HIS HA H 63 4.784 4.859 -0.075 1
1 724 . 1 1 1 A 63 63 HIS CB C 63 29.357 31.504 -2.147 1
1 731 . 1 1 1 A 63 63 HIS C C 63 173.926 174.136 -0.210 1
1 732 . 1 1 1 A 64 64 GLU N N 64 119.741 123.023 -3.282 1
1 733 . 1 1 1 A 64 64 GLU H H 64 8.681 8.644 0.037 1
1 734 . 1 1 1 A 64 64 GLU CA C 64 53.989 54.888 -0.899 1
1 735 . 1 1 1 A 64 64 GLU HA H 64 5.835 5.542 0.293 1
1 736 . 1 1 1 A 64 64 GLU CB C 64 34.417 32.703 1.714 1
1 742 . 1 1 1 A 64 64 GLU C C 64 176.358 175.797 0.561 1
1 743 . 1 1 1 A 65 65 GLY N N 65 105.646 108.653 -3.007 1
1 744 . 1 1 1 A 65 65 GLY H H 65 8.399 7.798 0.601 1
1 745 . 1 1 1 A 65 65 GLY CA C 65 45.368 45.479 -0.111 1
1 746 . 1 1 1 A 65 65 GLY HA2 H 65 3.959 3.960 -0.001 1
1 747 . 1 1 1 A 65 65 GLY HA3 H 65 3.835 4.124 -0.289 1
1 748 . 1 1 1 A 65 65 GLY C C 65 170.819 171.072 -0.253 1
1 749 . 1 1 1 A 66 66 TYR N N 66 119.001 120.222 -1.221 1
1 750 . 1 1 1 A 66 66 TYR H H 66 8.863 8.156 0.707 1
1 751 . 1 1 1 A 66 66 TYR CA C 66 59.140 58.028 1.112 1
1 752 . 1 1 1 A 66 66 TYR HA H 66 5.317 5.068 0.249 1
1 753 . 1 1 1 A 66 66 TYR CB C 66 40.974 39.862 1.112 1
1 764 . 1 1 1 A 66 66 TYR C C 66 176.158 175.930 0.228 1
1 765 . 1 1 1 A 67 67 VAL N N 67 112.145 117.691 -5.546 1
1 766 . 1 1 1 A 67 67 VAL H H 67 9.180 8.563 0.617 1
1 767 . 1 1 1 A 67 67 VAL CA C 67 57.686 58.293 -0.607 1
1 768 . 1 1 1 A 67 67 VAL HA H 67 4.803 5.090 -0.287 1
1 769 . 1 1 1 A 67 67 VAL CB C 67 33.564 34.360 -0.796 1
1 779 . 1 1 1 A 67 67 VAL C C 67 172.139 173.317 -1.178 1
1 780 . 1 1 1 A 68 68 PRO CA C 68 61.422 62.391 -0.969 1
1 781 . 1 1 1 A 68 68 PRO HA H 68 3.745 4.389 -0.644 1
1 782 . 1 1 1 A 68 68 PRO CB C 68 30.557 31.116 -0.559 1
1 791 . 1 1 1 A 68 68 PRO C C 68 178.674 177.251 1.423 1
1 792 . 1 1 1 A 69 69 SER N N 69 122.331 121.383 0.948 1
1 793 . 1 1 1 A 69 69 SER H H 69 7.791 8.311 -0.520 1
1 794 . 1 1 1 A 69 69 SER CA C 69 60.162 61.083 -0.921 1
1 795 . 1 1 1 A 69 69 SER HA H 69 2.790 3.829 -1.039 1
1 796 . 1 1 1 A 69 69 SER CB C 69 60.021 61.852 -1.831 1
1 799 . 1 1 1 A 69 69 SER C C 69 176.238 175.973 0.265 1
1 800 . 1 1 1 A 70 70 SER N N 70 114.849 117.069 -2.220 1
1 801 . 1 1 1 A 70 70 SER H H 70 7.812 8.000 -0.188 1
1 802 . 1 1 1 A 70 70 SER CA C 70 59.590 61.305 -1.715 1
1 803 . 1 1 1 A 70 70 SER HA H 70 4.095 3.905 0.190 1
1 804 . 1 1 1 A 70 70 SER CB C 70 62.885 63.167 -0.282 1
1 807 . 1 1 1 A 70 70 SER C C 70 175.286 176.953 -1.667 1
1 808 . 1 1 1 A 71 71 TYR N N 71 122.244 117.981 4.263 1
1 809 . 1 1 1 A 71 71 TYR H H 71 7.593 8.199 -0.606 1
1 810 . 1 1 1 A 71 71 TYR CA C 71 58.102 60.375 -2.273 1
1 811 . 1 1 1 A 71 71 TYR HA H 71 4.496 4.331 0.165 1
1 812 . 1 1 1 A 71 71 TYR CB C 71 37.631 38.715 -1.084 1
1 823 . 1 1 1 A 71 71 TYR C C 71 174.002 176.441 -2.439 1
1 824 . 1 1 1 A 72 72 LEU N N 72 119.079 119.482 -0.403 1
1 825 . 1 1 1 A 72 72 LEU H H 72 7.270 7.158 0.112 1
1 826 . 1 1 1 A 72 72 LEU CA C 72 53.625 55.757 -2.132 1
1 827 . 1 1 1 A 72 72 LEU HA H 72 5.388 4.572 0.816 1
1 828 . 1 1 1 A 72 72 LEU CB C 72 46.623 42.725 3.898 1
1 841 . 1 1 1 A 72 72 LEU C C 72 175.893 176.321 -0.428 1
1 842 . 1 1 1 A 73 73 VAL N N 73 116.343 118.493 -2.150 1
1 843 . 1 1 1 A 73 73 VAL H H 73 8.610 8.850 -0.240 1
1 844 . 1 1 1 A 73 73 VAL CA C 73 59.707 58.971 0.736 1
1 845 . 1 1 1 A 73 73 VAL HA H 73 4.601 4.831 -0.230 1
1 846 . 1 1 1 A 73 73 VAL CB C 73 35.811 35.713 0.098 1
1 856 . 1 1 1 A 73 73 VAL C C 73 174.186 174.095 0.091 1
1 857 . 1 1 1 A 74 74 GLU N N 74 124.925 123.927 0.998 1
1 858 . 1 1 1 A 74 74 GLU H H 74 8.845 8.449 0.396 1
1 859 . 1 1 1 A 74 74 GLU CA C 74 57.745 56.513 1.232 1
1 860 . 1 1 1 A 74 74 GLU HA H 74 4.363 4.562 -0.199 1
1 861 . 1 1 1 A 74 74 GLU CB C 74 30.164 30.450 -0.286 1
1 867 . 1 1 1 A 74 74 GLU C C 74 176.322 176.237 0.085 1
1 868 . 1 1 1 A 75 75 LYS N N 75 125.959 128.939 -2.980 1
1 869 . 1 1 1 A 75 75 LYS H H 75 8.556 7.768 0.788 1
1 870 . 1 1 1 A 75 75 LYS CA C 75 57.115 57.482 -0.367 1
1 871 . 1 1 1 A 75 75 LYS HA H 75 4.157 4.194 -0.037 1
1 872 . 1 1 1 A 75 75 LYS CB C 75 33.626 32.990 0.636 1
1 884 . 1 1 1 A 75 75 LYS C C 75 175.944 176.102 -0.158 1
1 885 . 1 1 1 A 76 76 SER N N 76 121.519 122.610 -1.091 1
1 886 . 1 1 1 A 76 76 SER H H 76 8.576 8.528 0.048 1
1 887 . 1 1 1 A 76 76 SER CA C 76 56.205 58.007 -1.802 1
1 888 . 1 1 1 A 76 76 SER HA H 76 4.809 4.462 0.347 1
1 889 . 1 1 1 A 76 76 SER CB C 76 63.582 63.629 -0.047 1
1 891 . 1 1 1 A 76 76 SER C C 76 172.875 172.820 0.055 1
1 892 . 1 1 1 A 77 77 PRO CA C 77 63.453 63.000 0.453 1
1 893 . 1 1 1 A 77 77 PRO HA H 77 4.434 4.750 -0.316 1
1 894 . 1 1 1 A 77 77 PRO CB C 77 32.104 32.785 -0.681 1
1 903 . 1 1 1 A 77 77 PRO C C 77 176.734 175.365 1.369 1
1 904 . 1 1 1 A 78 78 ASN N N 78 118.087 120.163 -2.076 1
1 905 . 1 1 1 A 78 78 ASN H H 78 8.434 8.945 -0.511 1
1 906 . 1 1 1 A 78 78 ASN CA C 78 53.314 52.869 0.445 1
1 907 . 1 1 1 A 78 78 ASN HA H 78 4.653 4.928 -0.275 1
1 908 . 1 1 1 A 78 78 ASN CB C 78 38.823 41.242 -2.419 1
1 914 . 1 1 1 A 78 78 ASN C C 78 174.985 174.614 0.371 1
1 915 . 1 1 1 A 79 79 ASN N N 79 119.198 123.004 -3.806 1
1 916 . 1 1 1 A 79 79 ASN H H 79 8.312 8.928 -0.616 1
1 917 . 1 1 1 A 79 79 ASN CA C 79 53.379 53.960 -0.581 1
1 918 . 1 1 1 A 79 79 ASN HA H 79 4.696 4.435 0.261 1
1 919 . 1 1 1 A 79 79 ASN CB C 79 38.827 36.313 2.514 1
1 925 . 1 1 1 A 79 79 ASN C C 79 175.132 174.811 0.321 1
1 926 . 1 1 1 A 80 80 LEU N N 80 122.154 121.208 0.946 1
1 927 . 1 1 1 A 80 80 LEU H H 80 8.195 7.763 0.432 1
1 928 . 1 1 1 A 80 80 LEU CA C 80 55.523 53.976 1.547 1
1 929 . 1 1 1 A 80 80 LEU HA H 80 4.305 4.926 -0.621 1
1 930 . 1 1 1 A 80 80 LEU CB C 80 42.304 45.171 -2.867 1
1 943 . 1 1 1 A 80 80 LEU C C 80 177.461 174.887 2.574 1
1 944 . 1 1 1 A 81 81 GLU N N 81 121.156 126.423 -5.267 1
1 945 . 1 1 1 A 81 81 GLU H H 81 8.341 8.997 -0.656 1
1 946 . 1 1 1 A 81 81 GLU CA C 81 56.665 55.873 0.792 1
1 947 . 1 1 1 A 81 81 GLU HA H 81 4.253 4.778 -0.525 1
1 948 . 1 1 1 A 81 81 GLU CB C 81 30.219 28.965 1.254 1
1 954 . 1 1 1 A 81 81 GLU C C 81 176.365 174.978 1.387 1
1 955 . 1 1 1 A 82 82 THR N N 82 114.319 119.929 -5.610 1
1 956 . 1 1 1 A 82 82 THR H H 82 7.970 8.581 -0.611 1
1 957 . 1 1 1 A 82 82 THR CA C 82 61.517 61.407 0.110 1
1 958 . 1 1 1 A 82 82 THR HA H 82 4.211 4.948 -0.737 1
1 959 . 1 1 1 A 82 82 THR CB C 82 69.881 72.126 -2.245 1
1 965 . 1 1 1 A 82 82 THR C C 82 173.812 173.155 0.657 1
1 966 . 1 1 1 A 83 83 TYR N N 83 122.614 124.936 -2.322 1
1 967 . 1 1 1 A 83 83 TYR H H 83 8.076 9.316 -1.240 1
1 968 . 1 1 1 A 83 83 TYR CA C 83 57.640 56.268 1.372 1
1 969 . 1 1 1 A 83 83 TYR HA H 83 4.444 5.214 -0.770 1
1 970 . 1 1 1 A 83 83 TYR CB C 83 38.964 41.685 -2.721 1
1 981 . 1 1 1 A 83 83 TYR C C 83 175.115 175.008 0.107 1
1 982 . 1 1 1 A 84 84 GLU N N 84 122.790 123.254 -0.464 1
1 983 . 1 1 1 A 84 84 GLU H H 84 7.995 9.111 -1.116 1
1 984 . 1 1 1 A 84 84 GLU CA C 84 56.097 55.996 0.101 1
1 985 . 1 1 1 A 84 84 GLU HA H 84 4.227 4.703 -0.476 1
1 986 . 1 1 1 A 84 84 GLU CB C 84 30.506 28.762 1.744 1
1 992 . 1 1 1 A 84 84 GLU C C 84 174.707 175.320 -0.613 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.365 45.748 -0.383 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.970 3.974 -0.004 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.824 3.981 -0.157 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.351 175.188 -0.837 1
1 5 . 2 1 1 A 8 8 GLU N N 8 120.458 115.124 5.334 1
1 6 . 2 1 1 A 8 8 GLU H H 8 8.288 8.002 0.286 1
1 7 . 2 1 1 A 8 8 GLU CA C 8 56.663 57.371 -0.708 1
1 8 . 2 1 1 A 8 8 GLU HA H 8 4.254 3.907 0.347 1
1 9 . 2 1 1 A 8 8 GLU CB C 8 30.248 27.128 3.120 1
1 15 . 2 1 1 A 8 8 GLU C C 8 176.364 174.353 2.011 1
1 16 . 2 1 1 A 9 9 ASP N N 9 120.849 115.592 5.257 1
1 17 . 2 1 1 A 9 9 ASP H H 9 8.379 7.922 0.457 1
1 18 . 2 1 1 A 9 9 ASP CA C 9 54.402 52.559 1.843 1
1 19 . 2 1 1 A 9 9 ASP HA H 9 4.543 5.120 -0.577 1
1 20 . 2 1 1 A 9 9 ASP CB C 9 41.035 42.732 -1.697 1
1 23 . 2 1 1 A 9 9 ASP C C 9 176.003 176.371 -0.368 1
1 24 . 2 1 1 A 10 10 ASN N N 10 119.270 123.423 -4.153 1
1 25 . 2 1 1 A 10 10 ASN H H 10 8.303 8.679 -0.376 1
1 26 . 2 1 1 A 10 10 ASN CA C 10 53.233 56.621 -3.388 1
1 27 . 2 1 1 A 10 10 ASN HA H 10 4.654 4.462 0.192 1
1 28 . 2 1 1 A 10 10 ASN CB C 10 38.832 38.843 -0.011 1
1 34 . 2 1 1 A 10 10 ASN C C 10 175.079 175.553 -0.474 1
1 35 . 2 1 1 A 11 11 ARG N N 11 120.795 112.596 8.199 1
1 36 . 2 1 1 A 11 11 ARG H H 11 8.132 7.607 0.525 1
1 37 . 2 1 1 A 11 11 ARG CA C 11 56.092 55.328 0.764 1
1 38 . 2 1 1 A 11 11 ARG HA H 11 4.257 4.727 -0.470 1
1 39 . 2 1 1 A 11 11 ARG CB C 11 30.721 33.524 -2.803 1
1 48 . 2 1 1 A 11 11 ARG C C 11 176.045 173.846 2.199 1
1 49 . 2 1 1 A 12 12 ARG N N 12 123.167 121.083 2.084 1
1 50 . 2 1 1 A 12 12 ARG H H 12 8.222 8.550 -0.328 1
1 51 . 2 1 1 A 12 12 ARG CA C 12 53.918 52.644 1.274 1
1 52 . 2 1 1 A 12 12 ARG HA H 12 4.506 4.814 -0.308 1
1 53 . 2 1 1 A 12 12 ARG CB C 12 29.923 32.749 -2.826 1
1 62 . 2 1 1 A 12 12 ARG C C 12 174.073 173.515 0.558 1
1 63 . 2 1 1 A 13 13 PRO CA C 13 62.815 62.524 0.291 1
1 64 . 2 1 1 A 13 13 PRO HA H 13 4.255 4.696 -0.441 1
1 65 . 2 1 1 A 13 13 PRO CB C 13 31.903 32.671 -0.768 1
1 74 . 2 1 1 A 13 13 PRO C C 13 176.315 176.811 -0.496 1
1 75 . 2 1 1 A 14 14 LEU N N 14 122.009 119.679 2.330 1
1 76 . 2 1 1 A 14 14 LEU H H 14 8.090 8.915 -0.825 1
1 77 . 2 1 1 A 14 14 LEU CA C 14 55.286 57.057 -1.771 1
1 78 . 2 1 1 A 14 14 LEU HA H 14 4.065 4.183 -0.118 1
1 79 . 2 1 1 A 14 14 LEU CB C 14 42.258 42.798 -0.540 1
1 92 . 2 1 1 A 14 14 LEU C C 14 176.610 176.535 0.075 1
1 93 . 2 1 1 A 15 15 TRP N N 15 120.219 116.835 3.384 1
1 94 . 2 1 1 A 15 15 TRP H H 15 7.582 8.180 -0.598 1
1 95 . 2 1 1 A 15 15 TRP CA C 15 56.114 56.755 -0.641 1
1 96 . 2 1 1 A 15 15 TRP HA H 15 4.803 5.049 -0.246 1
1 97 . 2 1 1 A 15 15 TRP CB C 15 29.845 32.222 -2.377 1
1 112 . 2 1 1 A 15 15 TRP C C 15 176.093 175.891 0.202 1
1 113 . 2 1 1 A 16 16 GLU N N 16 124.270 119.856 4.414 1
1 114 . 2 1 1 A 16 16 GLU H H 16 8.901 8.866 0.035 1
1 115 . 2 1 1 A 16 16 GLU CA C 16 54.729 53.488 1.241 1
1 116 . 2 1 1 A 16 16 GLU HA H 16 4.471 4.843 -0.372 1
1 117 . 2 1 1 A 16 16 GLU CB C 16 29.173 30.732 -1.559 1
1 123 . 2 1 1 A 16 16 GLU C C 16 175.525 176.422 -0.897 1
1 124 . 2 1 1 A 17 17 PRO CA C 17 64.535 64.634 -0.099 1
1 125 . 2 1 1 A 17 17 PRO HA H 17 4.306 4.385 -0.079 1
1 126 . 2 1 1 A 17 17 PRO CB C 17 32.105 32.051 0.054 1
1 135 . 2 1 1 A 17 17 PRO C C 17 177.261 178.664 -1.403 1
1 136 . 2 1 1 A 18 18 GLU N N 18 116.089 117.891 -1.802 1
1 137 . 2 1 1 A 18 18 GLU H H 18 8.459 8.925 -0.466 1
1 138 . 2 1 1 A 18 18 GLU CA C 18 57.215 59.560 -2.345 1
1 139 . 2 1 1 A 18 18 GLU HA H 18 4.203 4.085 0.118 1
1 140 . 2 1 1 A 18 18 GLU CB C 18 29.321 29.376 -0.055 1
1 146 . 2 1 1 A 18 18 GLU C C 18 176.941 177.515 -0.574 1
1 147 . 2 1 1 A 19 19 GLU N N 19 120.173 117.515 2.658 1
1 148 . 2 1 1 A 19 19 GLU H H 19 7.861 7.917 -0.056 1
1 149 . 2 1 1 A 19 19 GLU CA C 19 56.170 56.111 0.059 1
1 150 . 2 1 1 A 19 19 GLU HA H 19 4.257 4.394 -0.137 1
1 151 . 2 1 1 A 19 19 GLU CB C 19 30.012 30.213 -0.201 1
1 157 . 2 1 1 A 19 19 GLU C C 19 176.182 176.130 0.052 1
1 158 . 2 1 1 A 20 20 THR N N 20 120.847 117.980 2.867 1
1 159 . 2 1 1 A 20 20 THR H H 20 9.010 8.630 0.380 1
1 160 . 2 1 1 A 20 20 THR CA C 20 63.200 63.115 0.085 1
1 161 . 2 1 1 A 20 20 THR HA H 20 4.188 4.379 -0.191 1
1 162 . 2 1 1 A 20 20 THR CB C 20 69.394 68.780 0.614 1
1 168 . 2 1 1 A 20 20 THR C C 20 172.501 174.203 -1.702 1
1 169 . 2 1 1 A 21 21 VAL N N 21 128.753 127.866 0.887 1
1 170 . 2 1 1 A 21 21 VAL H H 21 8.497 8.905 -0.408 1
1 171 . 2 1 1 A 21 21 VAL CA C 21 61.422 61.754 -0.332 1
1 172 . 2 1 1 A 21 21 VAL HA H 21 4.546 4.413 0.133 1
1 173 . 2 1 1 A 21 21 VAL CB C 21 33.236 32.226 1.010 1
1 183 . 2 1 1 A 21 21 VAL C C 21 175.700 175.764 -0.064 1
1 184 . 2 1 1 A 22 22 VAL N N 22 119.061 122.276 -3.215 1
1 185 . 2 1 1 A 22 22 VAL H H 22 9.159 9.009 0.150 1
1 186 . 2 1 1 A 22 22 VAL CA C 22 57.799 59.692 -1.893 1
1 187 . 2 1 1 A 22 22 VAL HA H 22 5.187 5.459 -0.272 1
1 188 . 2 1 1 A 22 22 VAL CB C 22 35.307 35.114 0.193 1
1 198 . 2 1 1 A 22 22 VAL C C 22 173.461 174.655 -1.194 1
1 199 . 2 1 1 A 23 23 ILE N N 23 120.660 121.310 -0.650 1
1 200 . 2 1 1 A 23 23 ILE H H 23 9.354 8.424 0.930 1
1 201 . 2 1 1 A 23 23 ILE CA C 23 58.793 60.075 -1.282 1
1 202 . 2 1 1 A 23 23 ILE HA H 23 5.082 4.881 0.201 1
1 203 . 2 1 1 A 23 23 ILE CB C 23 41.289 42.296 -1.007 1
1 216 . 2 1 1 A 23 23 ILE C C 23 176.270 174.563 1.707 1
1 217 . 2 1 1 A 24 24 ALA N N 24 125.421 128.532 -3.111 1
1 218 . 2 1 1 A 24 24 ALA H H 24 8.184 8.492 -0.308 1
1 219 . 2 1 1 A 24 24 ALA CA C 24 51.461 51.638 -0.177 1
1 220 . 2 1 1 A 24 24 ALA HA H 24 4.982 4.815 0.167 1
1 221 . 2 1 1 A 24 24 ALA CB C 24 20.231 19.445 0.786 1
1 225 . 2 1 1 A 24 24 ALA C C 24 178.664 177.712 0.952 1
1 226 . 2 1 1 A 25 25 LEU N N 25 126.185 125.091 1.094 1
1 227 . 2 1 1 A 25 25 LEU H H 25 9.388 8.769 0.619 1
1 228 . 2 1 1 A 25 25 LEU CA C 25 55.799 55.724 0.075 1
1 229 . 2 1 1 A 25 25 LEU HA H 25 3.875 3.998 -0.123 1
1 230 . 2 1 1 A 25 25 LEU CB C 25 43.786 42.094 1.692 1
1 243 . 2 1 1 A 25 25 LEU C C 25 175.686 176.544 -0.858 1
1 244 . 2 1 1 A 26 26 TYR N N 26 110.488 115.630 -5.142 1
1 245 . 2 1 1 A 26 26 TYR H H 26 6.878 7.603 -0.725 1
1 246 . 2 1 1 A 26 26 TYR CA C 26 53.575 56.163 -2.588 1
1 247 . 2 1 1 A 26 26 TYR HA H 26 4.744 5.178 -0.434 1
1 248 . 2 1 1 A 26 26 TYR CB C 26 42.393 42.499 -0.106 1
1 259 . 2 1 1 A 26 26 TYR C C 26 173.800 174.439 -0.639 1
1 260 . 2 1 1 A 27 27 ASP N N 27 117.327 122.409 -5.082 1
1 261 . 2 1 1 A 27 27 ASP H H 27 8.278 8.718 -0.440 1
1 262 . 2 1 1 A 27 27 ASP CA C 27 54.522 53.517 1.005 1
1 263 . 2 1 1 A 27 27 ASP HA H 27 4.639 5.021 -0.382 1
1 264 . 2 1 1 A 27 27 ASP CB C 27 41.944 41.379 0.565 1
1 267 . 2 1 1 A 27 27 ASP C C 27 176.000 175.362 0.638 1
1 268 . 2 1 1 A 28 28 TYR N N 28 121.747 128.518 -6.771 1
1 269 . 2 1 1 A 28 28 TYR H H 28 8.724 9.219 -0.495 1
1 270 . 2 1 1 A 28 28 TYR CA C 28 57.938 59.064 -1.126 1
1 271 . 2 1 1 A 28 28 TYR HA H 28 4.934 4.871 0.063 1
1 272 . 2 1 1 A 28 28 TYR CB C 28 42.161 39.521 2.640 1
1 283 . 2 1 1 A 28 28 TYR C C 28 173.834 174.734 -0.900 1
1 284 . 2 1 1 A 29 29 GLN N N 29 126.180 124.038 2.142 1
1 285 . 2 1 1 A 29 29 GLN H H 29 7.959 8.813 -0.854 1
1 286 . 2 1 1 A 29 29 GLN CA C 29 54.153 53.767 0.386 1
1 287 . 2 1 1 A 29 29 GLN HA H 29 4.507 4.887 -0.380 1
1 288 . 2 1 1 A 29 29 GLN CB C 29 29.854 31.733 -1.879 1
1 297 . 2 1 1 A 29 29 GLN C C 29 173.966 173.333 0.633 1
1 298 . 2 1 1 A 30 30 THR N N 30 115.009 117.577 -2.568 1
1 299 . 2 1 1 A 30 30 THR H H 30 7.982 8.477 -0.495 1
1 300 . 2 1 1 A 30 30 THR CA C 30 59.769 59.884 -0.115 1
1 301 . 2 1 1 A 30 30 THR HA H 30 4.319 4.961 -0.642 1
1 302 . 2 1 1 A 30 30 THR CB C 30 69.002 70.850 -1.848 1
1 308 . 2 1 1 A 30 30 THR C C 30 172.388 174.062 -1.674 1
1 309 . 2 1 1 A 31 31 ASN N N 31 121.715 122.880 -1.165 1
1 310 . 2 1 1 A 31 31 ASN H H 31 8.702 8.609 0.093 1
1 311 . 2 1 1 A 31 31 ASN CA C 31 52.449 54.564 -2.115 1
1 312 . 2 1 1 A 31 31 ASN HA H 31 4.787 4.720 0.067 1
1 313 . 2 1 1 A 31 31 ASN CB C 31 39.822 39.780 0.042 1
1 319 . 2 1 1 A 31 31 ASN C C 31 174.579 175.169 -0.590 1
1 320 . 2 1 1 A 32 32 ASP N N 32 124.854 120.060 4.794 1
1 321 . 2 1 1 A 32 32 ASP H H 32 8.333 7.182 1.151 1
1 322 . 2 1 1 A 32 32 ASP CA C 32 51.996 52.111 -0.115 1
1 323 . 2 1 1 A 32 32 ASP HA H 32 4.827 4.682 0.145 1
1 324 . 2 1 1 A 32 32 ASP CB C 32 43.075 42.291 0.784 1
1 327 . 2 1 1 A 32 32 ASP C C 32 176.135 176.345 -0.210 1
1 328 . 2 1 1 A 33 33 PRO CA C 33 64.451 64.850 -0.399 1
1 329 . 2 1 1 A 33 33 PRO HA H 33 4.490 4.285 0.205 1
1 330 . 2 1 1 A 33 33 PRO CB C 33 32.425 32.080 0.345 1
1 339 . 2 1 1 A 33 33 PRO C C 33 177.612 179.021 -1.409 1
1 340 . 2 1 1 A 34 34 GLN N N 34 116.032 116.949 -0.917 1
1 341 . 2 1 1 A 34 34 GLN H H 34 8.906 8.377 0.529 1
1 342 . 2 1 1 A 34 34 GLN CA C 34 56.080 58.890 -2.810 1
1 343 . 2 1 1 A 34 34 GLN HA H 34 4.559 4.030 0.529 1
1 344 . 2 1 1 A 34 34 GLN CB C 34 29.488 28.618 0.870 1
1 353 . 2 1 1 A 34 34 GLN C C 34 176.811 176.887 -0.076 1
1 354 . 2 1 1 A 35 35 GLU N N 35 120.585 117.628 2.957 1
1 355 . 2 1 1 A 35 35 GLU H H 35 7.905 7.950 -0.045 1
1 356 . 2 1 1 A 35 35 GLU CA C 35 55.147 56.947 -1.800 1
1 357 . 2 1 1 A 35 35 GLU HA H 35 5.370 4.470 0.900 1
1 358 . 2 1 1 A 35 35 GLU CB C 35 33.394 30.114 3.280 1
1 364 . 2 1 1 A 35 35 GLU C C 35 174.508 175.439 -0.931 1
1 365 . 2 1 1 A 36 36 LEU N N 36 122.127 125.215 -3.088 1
1 366 . 2 1 1 A 36 36 LEU H H 36 7.553 8.806 -1.253 1
1 367 . 2 1 1 A 36 36 LEU CA C 36 53.375 53.413 -0.038 1
1 368 . 2 1 1 A 36 36 LEU HA H 36 4.415 5.192 -0.777 1
1 369 . 2 1 1 A 36 36 LEU CB C 36 45.685 45.199 0.486 1
1 382 . 2 1 1 A 36 36 LEU C C 36 173.533 175.110 -1.577 1
1 383 . 2 1 1 A 37 37 ALA N N 37 124.419 129.099 -4.680 1
1 384 . 2 1 1 A 37 37 ALA H H 37 7.813 8.759 -0.946 1
1 385 . 2 1 1 A 37 37 ALA CA C 37 51.854 50.797 1.057 1
1 386 . 2 1 1 A 37 37 ALA HA H 37 4.581 4.682 -0.101 1
1 387 . 2 1 1 A 37 37 ALA CB C 37 19.371 19.902 -0.531 1
1 391 . 2 1 1 A 37 37 ALA C C 37 177.822 177.476 0.346 1
1 392 . 2 1 1 A 38 38 LEU N N 38 116.787 124.278 -7.491 1
1 393 . 2 1 1 A 38 38 LEU H H 38 8.656 8.893 -0.237 1
1 394 . 2 1 1 A 38 38 LEU CA C 38 52.952 54.928 -1.976 1
1 395 . 2 1 1 A 38 38 LEU HA H 38 5.026 4.396 0.630 1
1 396 . 2 1 1 A 38 38 LEU CB C 38 45.223 42.689 2.534 1
1 409 . 2 1 1 A 38 38 LEU C C 38 177.842 176.500 1.342 1
1 410 . 2 1 1 A 39 39 ARG N N 39 123.462 120.773 2.689 1
1 411 . 2 1 1 A 39 39 ARG H H 39 8.333 8.755 -0.422 1
1 412 . 2 1 1 A 39 39 ARG CA C 39 53.731 54.508 -0.777 1
1 413 . 2 1 1 A 39 39 ARG HA H 39 4.977 5.008 -0.031 1
1 414 . 2 1 1 A 39 39 ARG CB C 39 32.431 34.381 -1.950 1
1 423 . 2 1 1 A 39 39 ARG C C 39 174.595 174.854 -0.259 1
1 424 . 2 1 1 A 40 40 ARG N N 40 123.974 126.887 -2.913 1
1 425 . 2 1 1 A 40 40 ARG H H 40 8.899 8.658 0.241 1
1 426 . 2 1 1 A 40 40 ARG CA C 40 58.302 57.752 0.550 1
1 427 . 2 1 1 A 40 40 ARG HA H 40 3.350 3.984 -0.634 1
1 428 . 2 1 1 A 40 40 ARG CB C 40 30.480 30.074 0.406 1
1 437 . 2 1 1 A 40 40 ARG C C 40 176.432 176.927 -0.495 1
1 438 . 2 1 1 A 41 41 ASN N N 41 117.655 119.421 -1.766 1
1 439 . 2 1 1 A 41 41 ASN H H 41 9.246 8.654 0.592 1
1 440 . 2 1 1 A 41 41 ASN CA C 41 55.859 54.370 1.489 1
1 441 . 2 1 1 A 41 41 ASN HA H 41 4.227 4.268 -0.041 1
1 442 . 2 1 1 A 41 41 ASN CB C 41 37.555 36.927 0.628 1
1 448 . 2 1 1 A 41 41 ASN C C 41 174.318 173.887 0.431 1
1 449 . 2 1 1 A 42 42 GLU N N 42 122.758 117.419 5.339 1
1 450 . 2 1 1 A 42 42 GLU H H 42 8.419 7.806 0.613 1
1 451 . 2 1 1 A 42 42 GLU CA C 42 56.625 54.951 1.674 1
1 452 . 2 1 1 A 42 42 GLU HA H 42 4.445 4.748 -0.303 1
1 453 . 2 1 1 A 42 42 GLU CB C 42 29.887 32.885 -2.998 1
1 459 . 2 1 1 A 42 42 GLU C C 42 173.885 175.296 -1.411 1
1 460 . 2 1 1 A 43 43 GLU N N 43 119.431 124.125 -4.694 1
1 461 . 2 1 1 A 43 43 GLU H H 43 7.901 8.714 -0.813 1
1 462 . 2 1 1 A 43 43 GLU CA C 43 54.997 56.781 -1.784 1
1 463 . 2 1 1 A 43 43 GLU HA H 43 5.106 4.897 0.209 1
1 464 . 2 1 1 A 43 43 GLU CB C 43 32.392 30.785 1.607 1
1 470 . 2 1 1 A 43 43 GLU C C 43 175.285 175.518 -0.233 1
1 471 . 2 1 1 A 44 44 TYR N N 44 118.011 119.010 -0.999 1
1 472 . 2 1 1 A 44 44 TYR H H 44 9.196 8.624 0.572 1
1 473 . 2 1 1 A 44 44 TYR CA C 44 56.847 56.462 0.385 1
1 474 . 2 1 1 A 44 44 TYR HA H 44 4.708 4.769 -0.061 1
1 475 . 2 1 1 A 44 44 TYR CB C 44 42.218 42.660 -0.442 1
1 486 . 2 1 1 A 44 44 TYR C C 44 173.315 174.436 -1.121 1
1 487 . 2 1 1 A 45 45 CYS N N 45 120.674 124.117 -3.443 1
1 488 . 2 1 1 A 45 45 CYS H H 45 8.803 8.568 0.235 1
1 489 . 2 1 1 A 45 45 CYS CA C 45 57.318 58.600 -1.282 1
1 490 . 2 1 1 A 45 45 CYS HA H 45 4.425 4.574 -0.149 1
1 491 . 2 1 1 A 45 45 CYS CB C 45 27.610 27.953 -0.343 1
1 494 . 2 1 1 A 45 45 CYS C C 45 174.817 174.001 0.816 1
1 495 . 2 1 1 A 46 46 LEU N N 46 129.242 128.795 0.447 1
1 496 . 2 1 1 A 46 46 LEU H H 46 8.803 8.264 0.539 1
1 497 . 2 1 1 A 46 46 LEU CA C 46 55.404 56.432 -1.028 1
1 498 . 2 1 1 A 46 46 LEU HA H 46 4.224 4.331 -0.107 1
1 499 . 2 1 1 A 46 46 LEU CB C 46 42.929 42.217 0.712 1
1 512 . 2 1 1 A 46 46 LEU C C 46 174.895 176.147 -1.252 1
1 513 . 2 1 1 A 47 47 LEU N N 47 127.172 128.321 -1.149 1
1 514 . 2 1 1 A 47 47 LEU H H 47 8.780 8.995 -0.215 1
1 515 . 2 1 1 A 47 47 LEU CA C 47 55.322 56.988 -1.666 1
1 516 . 2 1 1 A 47 47 LEU HA H 47 4.478 4.272 0.206 1
1 517 . 2 1 1 A 47 47 LEU CB C 47 42.904 42.056 0.848 1
1 530 . 2 1 1 A 47 47 LEU C C 47 177.543 176.517 1.026 1
1 531 . 2 1 1 A 48 48 ASP N N 48 115.262 115.754 -0.492 1
1 532 . 2 1 1 A 48 48 ASP H H 48 7.516 7.969 -0.453 1
1 533 . 2 1 1 A 48 48 ASP CA C 48 54.649 53.440 1.209 1
1 534 . 2 1 1 A 48 48 ASP HA H 48 4.754 4.898 -0.144 1
1 535 . 2 1 1 A 48 48 ASP CB C 48 43.524 44.665 -1.141 1
1 538 . 2 1 1 A 48 48 ASP C C 48 175.044 174.647 0.397 1
1 539 . 2 1 1 A 49 49 SER N N 49 123.571 118.622 4.949 1
1 540 . 2 1 1 A 49 49 SER H H 49 8.911 8.280 0.631 1
1 541 . 2 1 1 A 49 49 SER CA C 49 56.641 56.070 0.571 1
1 542 . 2 1 1 A 49 49 SER HA H 49 4.019 4.644 -0.625 1
1 543 . 2 1 1 A 49 49 SER CB C 49 62.018 62.248 -0.230 1
1 546 . 2 1 1 A 49 49 SER C C 49 173.953 175.421 -1.468 1
1 547 . 2 1 1 A 50 50 SER N N 50 118.555 117.262 1.293 1
1 548 . 2 1 1 A 50 50 SER H H 50 8.528 7.889 0.639 1
1 549 . 2 1 1 A 50 50 SER CA C 50 61.824 61.641 0.183 1
1 550 . 2 1 1 A 50 50 SER HA H 50 4.050 4.218 -0.168 1
1 551 . 2 1 1 A 50 50 SER CB C 50 63.334 62.967 0.367 1
1 554 . 2 1 1 A 50 50 SER C C 50 175.507 174.880 0.627 1
1 555 . 2 1 1 A 51 51 GLU N N 51 123.653 120.164 3.489 1
1 556 . 2 1 1 A 51 51 GLU H H 51 8.756 8.173 0.583 1
1 557 . 2 1 1 A 51 51 GLU CA C 51 55.391 54.950 0.441 1
1 558 . 2 1 1 A 51 51 GLU HA H 51 4.690 4.791 -0.101 1
1 559 . 2 1 1 A 51 51 GLU CB C 51 30.112 32.363 -2.251 1
1 565 . 2 1 1 A 51 51 GLU C C 51 176.574 176.347 0.227 1
1 566 . 2 1 1 A 52 52 ILE N N 52 117.495 122.187 -4.692 1
1 567 . 2 1 1 A 52 52 ILE H H 52 8.223 8.660 -0.437 1
1 568 . 2 1 1 A 52 52 ILE CA C 52 64.478 63.283 1.195 1
1 569 . 2 1 1 A 52 52 ILE HA H 52 3.946 4.269 -0.323 1
1 570 . 2 1 1 A 52 52 ILE CB C 52 38.365 38.045 0.320 1
1 583 . 2 1 1 A 52 52 ILE C C 52 178.681 177.551 1.130 1
1 584 . 2 1 1 A 53 53 HIS N N 53 116.338 116.774 -0.436 1
1 585 . 2 1 1 A 53 53 HIS H H 53 8.529 7.511 1.018 1
1 586 . 2 1 1 A 53 53 HIS CA C 53 57.974 59.045 -1.071 1
1 587 . 2 1 1 A 53 53 HIS HA H 53 4.332 4.015 0.317 1
1 588 . 2 1 1 A 53 53 HIS CB C 53 31.646 30.014 1.632 1
1 595 . 2 1 1 A 53 53 HIS C C 53 175.678 174.682 0.996 1
1 596 . 2 1 1 A 54 54 TRP N N 54 120.664 116.496 4.168 1
1 597 . 2 1 1 A 54 54 TRP H H 54 7.298 7.997 -0.699 1
1 598 . 2 1 1 A 54 54 TRP CA C 54 55.972 55.506 0.466 1
1 599 . 2 1 1 A 54 54 TRP HA H 54 5.142 5.327 -0.185 1
1 600 . 2 1 1 A 54 54 TRP CB C 54 31.957 30.997 0.960 1
1 615 . 2 1 1 A 54 54 TRP C C 54 174.289 175.576 -1.287 1
1 616 . 2 1 1 A 55 55 TRP N N 55 124.636 124.163 0.473 1
1 617 . 2 1 1 A 55 55 TRP H H 55 9.260 9.332 -0.072 1
1 618 . 2 1 1 A 55 55 TRP CA C 55 53.365 55.653 -2.288 1
1 619 . 2 1 1 A 55 55 TRP HA H 55 5.503 5.146 0.357 1
1 620 . 2 1 1 A 55 55 TRP CB C 55 32.591 32.903 -0.312 1
1 635 . 2 1 1 A 55 55 TRP C C 55 174.620 175.567 -0.947 1
1 636 . 2 1 1 A 56 56 ARG N N 56 122.963 125.038 -2.075 1
1 637 . 2 1 1 A 56 56 ARG H H 56 8.876 9.043 -0.167 1
1 638 . 2 1 1 A 56 56 ARG CA C 56 55.250 55.910 -0.660 1
1 639 . 2 1 1 A 56 56 ARG HA H 56 4.716 4.912 -0.196 1
1 640 . 2 1 1 A 56 56 ARG CB C 56 32.705 31.136 1.569 1
1 651 . 2 1 1 A 56 56 ARG C C 56 175.777 176.248 -0.471 1
1 652 . 2 1 1 A 57 57 VAL N N 57 119.683 120.135 -0.452 1
1 653 . 2 1 1 A 57 57 VAL H H 57 8.784 8.995 -0.211 1
1 654 . 2 1 1 A 57 57 VAL CA C 57 58.632 58.782 -0.150 1
1 655 . 2 1 1 A 57 57 VAL HA H 57 5.356 5.170 0.186 1
1 656 . 2 1 1 A 57 57 VAL CB C 57 36.354 36.260 0.094 1
1 666 . 2 1 1 A 57 57 VAL C C 57 172.758 173.696 -0.938 1
1 667 . 2 1 1 A 58 58 GLN N N 58 118.904 120.791 -1.887 1
1 668 . 2 1 1 A 58 58 GLN H H 58 8.911 8.646 0.265 1
1 669 . 2 1 1 A 58 58 GLN CA C 58 53.324 54.279 -0.955 1
1 670 . 2 1 1 A 58 58 GLN HA H 58 5.677 5.095 0.582 1
1 671 . 2 1 1 A 58 58 GLN CB C 58 35.149 32.467 2.682 1
1 680 . 2 1 1 A 58 58 GLN C C 58 175.711 173.925 1.786 1
1 681 . 2 1 1 A 59 59 ASP N N 59 125.232 125.938 -0.706 1
1 682 . 2 1 1 A 59 59 ASP H H 59 9.274 9.130 0.144 1
1 683 . 2 1 1 A 59 59 ASP CA C 59 52.577 53.875 -1.298 1
1 684 . 2 1 1 A 59 59 ASP HA H 59 5.257 4.783 0.474 1
1 685 . 2 1 1 A 59 59 ASP CB C 59 43.563 42.162 1.401 1
1 688 . 2 1 1 A 59 59 ASP C C 59 178.615 177.214 1.401 1
1 689 . 2 1 1 A 60 60 ARG N N 60 117.439 123.572 -6.133 1
1 690 . 2 1 1 A 60 60 ARG H H 60 9.177 8.856 0.321 1
1 691 . 2 1 1 A 60 60 ARG CA C 60 57.908 58.847 -0.939 1
1 692 . 2 1 1 A 60 60 ARG HA H 60 3.987 4.120 -0.133 1
1 693 . 2 1 1 A 60 60 ARG CB C 60 29.590 29.845 -0.255 1
1 702 . 2 1 1 A 60 60 ARG C C 60 176.395 178.128 -1.733 1
1 703 . 2 1 1 A 61 61 ASN N N 61 117.081 115.869 1.212 1
1 704 . 2 1 1 A 61 61 ASN H H 61 8.294 8.005 0.289 1
1 705 . 2 1 1 A 61 61 ASN CA C 61 53.024 53.629 -0.605 1
1 706 . 2 1 1 A 61 61 ASN HA H 61 4.852 4.529 0.323 1
1 707 . 2 1 1 A 61 61 ASN CB C 61 39.662 38.626 1.036 1
1 713 . 2 1 1 A 61 61 ASN C C 61 175.197 175.402 -0.205 1
1 714 . 2 1 1 A 62 62 GLY N N 62 107.804 105.613 2.191 1
1 715 . 2 1 1 A 62 62 GLY H H 62 8.195 7.629 0.566 1
1 716 . 2 1 1 A 62 62 GLY CA C 62 45.423 45.063 0.360 1
1 717 . 2 1 1 A 62 62 GLY HA2 H 62 3.551 4.085 -0.534 1
1 718 . 2 1 1 A 62 62 GLY HA3 H 62 4.225 4.113 0.112 1
1 719 . 2 1 1 A 62 62 GLY C C 62 174.475 174.153 0.322 1
1 720 . 2 1 1 A 63 63 HIS N N 63 122.780 117.977 4.803 1
1 721 . 2 1 1 A 63 63 HIS H H 63 8.615 7.781 0.834 1
1 722 . 2 1 1 A 63 63 HIS CA C 63 55.653 55.127 0.526 1
1 723 . 2 1 1 A 63 63 HIS HA H 63 4.784 4.874 -0.090 1
1 724 . 2 1 1 A 63 63 HIS CB C 63 29.357 32.106 -2.749 1
1 731 . 2 1 1 A 63 63 HIS C C 63 173.926 174.793 -0.867 1
1 732 . 2 1 1 A 64 64 GLU N N 64 119.741 121.094 -1.353 1
1 733 . 2 1 1 A 64 64 GLU H H 64 8.681 8.889 -0.208 1
1 734 . 2 1 1 A 64 64 GLU CA C 64 53.989 54.364 -0.375 1
1 735 . 2 1 1 A 64 64 GLU HA H 64 5.835 5.196 0.639 1
1 736 . 2 1 1 A 64 64 GLU CB C 64 34.417 32.911 1.506 1
1 742 . 2 1 1 A 64 64 GLU C C 64 176.358 175.437 0.921 1
1 743 . 2 1 1 A 65 65 GLY N N 65 105.646 106.535 -0.889 1
1 744 . 2 1 1 A 65 65 GLY H H 65 8.399 7.845 0.554 1
1 745 . 2 1 1 A 65 65 GLY CA C 65 45.368 45.415 -0.047 1
1 746 . 2 1 1 A 65 65 GLY HA2 H 65 3.959 4.018 -0.059 1
1 747 . 2 1 1 A 65 65 GLY HA3 H 65 3.835 4.170 -0.335 1
1 748 . 2 1 1 A 65 65 GLY C C 65 170.819 171.086 -0.267 1
1 749 . 2 1 1 A 66 66 TYR N N 66 119.001 120.466 -1.465 1
1 750 . 2 1 1 A 66 66 TYR H H 66 8.863 7.980 0.883 1
1 751 . 2 1 1 A 66 66 TYR CA C 66 59.140 57.450 1.690 1
1 752 . 2 1 1 A 66 66 TYR HA H 66 5.317 5.065 0.252 1
1 753 . 2 1 1 A 66 66 TYR CB C 66 40.974 38.592 2.382 1
1 764 . 2 1 1 A 66 66 TYR C C 66 176.158 176.123 0.035 1
1 765 . 2 1 1 A 67 67 VAL N N 67 112.145 118.820 -6.675 1
1 766 . 2 1 1 A 67 67 VAL H H 67 9.180 8.533 0.647 1
1 767 . 2 1 1 A 67 67 VAL CA C 67 57.686 58.357 -0.671 1
1 768 . 2 1 1 A 67 67 VAL HA H 67 4.803 5.172 -0.369 1
1 769 . 2 1 1 A 67 67 VAL CB C 67 33.564 33.666 -0.102 1
1 779 . 2 1 1 A 67 67 VAL C C 67 172.139 173.784 -1.645 1
1 780 . 2 1 1 A 68 68 PRO CA C 68 61.422 62.401 -0.979 1
1 781 . 2 1 1 A 68 68 PRO HA H 68 3.745 4.608 -0.863 1
1 782 . 2 1 1 A 68 68 PRO CB C 68 30.557 31.212 -0.655 1
1 791 . 2 1 1 A 68 68 PRO C C 68 178.674 177.424 1.250 1
1 792 . 2 1 1 A 69 69 SER N N 69 122.331 121.271 1.060 1
1 793 . 2 1 1 A 69 69 SER H H 69 7.791 8.989 -1.198 1
1 794 . 2 1 1 A 69 69 SER CA C 69 60.162 60.876 -0.714 1
1 795 . 2 1 1 A 69 69 SER HA H 69 2.790 3.954 -1.164 1
1 796 . 2 1 1 A 69 69 SER CB C 69 60.021 61.347 -1.326 1
1 799 . 2 1 1 A 69 69 SER C C 69 176.238 176.370 -0.132 1
1 800 . 2 1 1 A 70 70 SER N N 70 114.849 116.478 -1.629 1
1 801 . 2 1 1 A 70 70 SER H H 70 7.812 7.776 0.036 1
1 802 . 2 1 1 A 70 70 SER CA C 70 59.590 62.370 -2.780 1
1 803 . 2 1 1 A 70 70 SER HA H 70 4.095 3.981 0.114 1
1 804 . 2 1 1 A 70 70 SER CB C 70 62.885 62.672 0.213 1
1 807 . 2 1 1 A 70 70 SER C C 70 175.286 176.540 -1.254 1
1 808 . 2 1 1 A 71 71 TYR N N 71 122.244 119.298 2.946 1
1 809 . 2 1 1 A 71 71 TYR H H 71 7.593 7.951 -0.358 1
1 810 . 2 1 1 A 71 71 TYR CA C 71 58.102 60.311 -2.209 1
1 811 . 2 1 1 A 71 71 TYR HA H 71 4.496 4.329 0.167 1
1 812 . 2 1 1 A 71 71 TYR CB C 71 37.631 38.500 -0.869 1
1 823 . 2 1 1 A 71 71 TYR C C 71 174.002 176.448 -2.446 1
1 824 . 2 1 1 A 72 72 LEU N N 72 119.079 119.548 -0.469 1
1 825 . 2 1 1 A 72 72 LEU H H 72 7.270 7.134 0.136 1
1 826 . 2 1 1 A 72 72 LEU CA C 72 53.625 56.004 -2.379 1
1 827 . 2 1 1 A 72 72 LEU HA H 72 5.388 4.415 0.973 1
1 828 . 2 1 1 A 72 72 LEU CB C 72 46.623 42.610 4.013 1
1 841 . 2 1 1 A 72 72 LEU C C 72 175.893 176.339 -0.446 1
1 842 . 2 1 1 A 73 73 VAL N N 73 116.343 118.659 -2.316 1
1 843 . 2 1 1 A 73 73 VAL H H 73 8.610 8.827 -0.217 1
1 844 . 2 1 1 A 73 73 VAL CA C 73 59.707 59.153 0.554 1
1 845 . 2 1 1 A 73 73 VAL HA H 73 4.601 4.835 -0.234 1
1 846 . 2 1 1 A 73 73 VAL CB C 73 35.811 35.404 0.407 1
1 856 . 2 1 1 A 73 73 VAL C C 73 174.186 174.174 0.012 1
1 857 . 2 1 1 A 74 74 GLU N N 74 124.925 124.708 0.217 1
1 858 . 2 1 1 A 74 74 GLU H H 74 8.845 8.473 0.372 1
1 859 . 2 1 1 A 74 74 GLU CA C 74 57.745 56.618 1.127 1
1 860 . 2 1 1 A 74 74 GLU HA H 74 4.363 4.512 -0.149 1
1 861 . 2 1 1 A 74 74 GLU CB C 74 30.164 30.123 0.041 1
1 867 . 2 1 1 A 74 74 GLU C C 74 176.322 176.359 -0.037 1
1 868 . 2 1 1 A 75 75 LYS N N 75 125.959 129.722 -3.763 1
1 869 . 2 1 1 A 75 75 LYS H H 75 8.556 7.864 0.692 1
1 870 . 2 1 1 A 75 75 LYS CA C 75 57.115 57.298 -0.183 1
1 871 . 2 1 1 A 75 75 LYS HA H 75 4.157 4.242 -0.085 1
1 872 . 2 1 1 A 75 75 LYS CB C 75 33.626 32.967 0.659 1
1 884 . 2 1 1 A 75 75 LYS C C 75 175.944 176.403 -0.459 1
1 885 . 2 1 1 A 76 76 SER N N 76 121.519 123.549 -2.030 1
1 886 . 2 1 1 A 76 76 SER H H 76 8.576 8.723 -0.147 1
1 887 . 2 1 1 A 76 76 SER CA C 76 56.205 57.438 -1.233 1
1 888 . 2 1 1 A 76 76 SER HA H 76 4.809 4.613 0.196 1
1 889 . 2 1 1 A 76 76 SER CB C 76 63.582 62.742 0.840 1
1 891 . 2 1 1 A 76 76 SER C C 76 172.875 174.421 -1.546 1
1 892 . 2 1 1 A 77 77 PRO CA C 77 63.453 63.621 -0.168 1
1 893 . 2 1 1 A 77 77 PRO HA H 77 4.434 4.599 -0.165 1
1 894 . 2 1 1 A 77 77 PRO CB C 77 32.104 32.090 0.014 1
1 903 . 2 1 1 A 77 77 PRO C C 77 176.734 176.578 0.156 1
1 904 . 2 1 1 A 78 78 ASN N N 78 118.087 117.466 0.621 1
1 905 . 2 1 1 A 78 78 ASN H H 78 8.434 7.847 0.587 1
1 906 . 2 1 1 A 78 78 ASN CA C 78 53.314 52.734 0.580 1
1 907 . 2 1 1 A 78 78 ASN HA H 78 4.653 4.710 -0.057 1
1 908 . 2 1 1 A 78 78 ASN CB C 78 38.823 39.565 -0.742 1
1 914 . 2 1 1 A 78 78 ASN C C 78 174.985 175.084 -0.099 1
1 915 . 2 1 1 A 79 79 ASN N N 79 119.198 119.351 -0.153 1
1 916 . 2 1 1 A 79 79 ASN H H 79 8.312 8.094 0.218 1
1 917 . 2 1 1 A 79 79 ASN CA C 79 53.379 53.442 -0.063 1
1 918 . 2 1 1 A 79 79 ASN HA H 79 4.696 4.656 0.040 1
1 919 . 2 1 1 A 79 79 ASN CB C 79 38.827 39.696 -0.869 1
1 925 . 2 1 1 A 79 79 ASN C C 79 175.132 175.246 -0.114 1
1 926 . 2 1 1 A 80 80 LEU N N 80 122.154 125.213 -3.059 1
1 927 . 2 1 1 A 80 80 LEU H H 80 8.195 8.756 -0.561 1
1 928 . 2 1 1 A 80 80 LEU CA C 80 55.523 54.206 1.317 1
1 929 . 2 1 1 A 80 80 LEU HA H 80 4.305 4.707 -0.402 1
1 930 . 2 1 1 A 80 80 LEU CB C 80 42.304 40.999 1.305 1
1 943 . 2 1 1 A 80 80 LEU C C 80 177.461 175.037 2.424 1
1 944 . 2 1 1 A 81 81 GLU N N 81 121.156 125.851 -4.695 1
1 945 . 2 1 1 A 81 81 GLU H H 81 8.341 8.508 -0.167 1
1 946 . 2 1 1 A 81 81 GLU CA C 81 56.665 56.076 0.589 1
1 947 . 2 1 1 A 81 81 GLU HA H 81 4.253 4.528 -0.275 1
1 948 . 2 1 1 A 81 81 GLU CB C 81 30.219 29.082 1.137 1
1 954 . 2 1 1 A 81 81 GLU C C 81 176.365 175.736 0.629 1
1 955 . 2 1 1 A 82 82 THR N N 82 114.319 116.642 -2.323 1
1 956 . 2 1 1 A 82 82 THR H H 82 7.970 8.074 -0.104 1
1 957 . 2 1 1 A 82 82 THR CA C 82 61.517 60.457 1.060 1
1 958 . 2 1 1 A 82 82 THR HA H 82 4.211 5.444 -1.233 1
1 959 . 2 1 1 A 82 82 THR CB C 82 69.881 70.992 -1.111 1
1 965 . 2 1 1 A 82 82 THR C C 82 173.812 174.572 -0.760 1
1 966 . 2 1 1 A 83 83 TYR N N 83 122.614 123.969 -1.355 1
1 967 . 2 1 1 A 83 83 TYR H H 83 8.076 9.164 -1.088 1
1 968 . 2 1 1 A 83 83 TYR CA C 83 57.640 56.616 1.024 1
1 969 . 2 1 1 A 83 83 TYR HA H 83 4.444 4.859 -0.415 1
1 970 . 2 1 1 A 83 83 TYR CB C 83 38.964 37.429 1.535 1
1 981 . 2 1 1 A 83 83 TYR C C 83 175.115 175.339 -0.224 1
1 982 . 2 1 1 A 84 84 GLU N N 84 122.790 121.804 0.986 1
1 983 . 2 1 1 A 84 84 GLU H H 84 7.995 7.836 0.159 1
1 984 . 2 1 1 A 84 84 GLU CA C 84 56.097 55.017 1.080 1
1 985 . 2 1 1 A 84 84 GLU HA H 84 4.227 4.535 -0.308 1
1 986 . 2 1 1 A 84 84 GLU CB C 84 30.506 29.628 0.878 1
1 992 . 2 1 1 A 84 84 GLU C C 84 174.707 176.335 -1.628 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.365 45.833 -0.468 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.970 4.109 -0.139 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.824 4.113 -0.289 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.351 173.789 0.562 1
1 5 . 3 1 1 A 8 8 GLU N N 8 120.458 119.735 0.723 1
1 6 . 3 1 1 A 8 8 GLU H H 8 8.288 7.976 0.312 1
1 7 . 3 1 1 A 8 8 GLU CA C 8 56.663 54.500 2.163 1
1 8 . 3 1 1 A 8 8 GLU HA H 8 4.254 4.911 -0.657 1
1 9 . 3 1 1 A 8 8 GLU CB C 8 30.248 33.846 -3.598 1
1 15 . 3 1 1 A 8 8 GLU C C 8 176.364 174.253 2.111 1
1 16 . 3 1 1 A 9 9 ASP N N 9 120.849 119.575 1.274 1
1 17 . 3 1 1 A 9 9 ASP H H 9 8.379 8.640 -0.261 1
1 18 . 3 1 1 A 9 9 ASP CA C 9 54.402 52.041 2.361 1
1 19 . 3 1 1 A 9 9 ASP HA H 9 4.543 5.328 -0.785 1
1 20 . 3 1 1 A 9 9 ASP CB C 9 41.035 44.978 -3.943 1
1 23 . 3 1 1 A 9 9 ASP C C 9 176.003 174.495 1.508 1
1 24 . 3 1 1 A 10 10 ASN N N 10 119.270 121.663 -2.393 1
1 25 . 3 1 1 A 10 10 ASN H H 10 8.303 8.581 -0.278 1
1 26 . 3 1 1 A 10 10 ASN CA C 10 53.233 52.485 0.748 1
1 27 . 3 1 1 A 10 10 ASN HA H 10 4.654 4.803 -0.149 1
1 28 . 3 1 1 A 10 10 ASN CB C 10 38.832 38.081 0.751 1
1 34 . 3 1 1 A 10 10 ASN C C 10 175.079 174.420 0.659 1
1 35 . 3 1 1 A 11 11 ARG N N 11 120.795 128.706 -7.911 1
1 36 . 3 1 1 A 11 11 ARG H H 11 8.132 8.389 -0.257 1
1 37 . 3 1 1 A 11 11 ARG CA C 11 56.092 56.433 -0.341 1
1 38 . 3 1 1 A 11 11 ARG HA H 11 4.257 4.573 -0.316 1
1 39 . 3 1 1 A 11 11 ARG CB C 11 30.721 30.950 -0.229 1
1 48 . 3 1 1 A 11 11 ARG C C 11 176.045 175.392 0.653 1
1 49 . 3 1 1 A 12 12 ARG N N 12 123.167 124.868 -1.701 1
1 50 . 3 1 1 A 12 12 ARG H H 12 8.222 8.723 -0.501 1
1 51 . 3 1 1 A 12 12 ARG CA C 12 53.918 52.739 1.179 1
1 52 . 3 1 1 A 12 12 ARG HA H 12 4.506 4.819 -0.313 1
1 53 . 3 1 1 A 12 12 ARG CB C 12 29.923 33.287 -3.364 1
1 62 . 3 1 1 A 12 12 ARG C C 12 174.073 173.449 0.624 1
1 63 . 3 1 1 A 13 13 PRO CA C 13 62.815 62.660 0.155 1
1 64 . 3 1 1 A 13 13 PRO HA H 13 4.255 4.631 -0.376 1
1 65 . 3 1 1 A 13 13 PRO CB C 13 31.903 32.578 -0.675 1
1 74 . 3 1 1 A 13 13 PRO C C 13 176.315 176.750 -0.435 1
1 75 . 3 1 1 A 14 14 LEU N N 14 122.009 119.680 2.329 1
1 76 . 3 1 1 A 14 14 LEU H H 14 8.090 8.894 -0.804 1
1 77 . 3 1 1 A 14 14 LEU CA C 14 55.286 56.759 -1.473 1
1 78 . 3 1 1 A 14 14 LEU HA H 14 4.065 4.210 -0.145 1
1 79 . 3 1 1 A 14 14 LEU CB C 14 42.258 42.661 -0.403 1
1 92 . 3 1 1 A 14 14 LEU C C 14 176.610 176.789 -0.179 1
1 93 . 3 1 1 A 15 15 TRP N N 15 120.219 117.355 2.864 1
1 94 . 3 1 1 A 15 15 TRP H H 15 7.582 8.126 -0.544 1
1 95 . 3 1 1 A 15 15 TRP CA C 15 56.114 57.081 -0.967 1
1 96 . 3 1 1 A 15 15 TRP HA H 15 4.803 4.932 -0.129 1
1 97 . 3 1 1 A 15 15 TRP CB C 15 29.845 31.069 -1.224 1
1 112 . 3 1 1 A 15 15 TRP C C 15 176.093 176.005 0.088 1
1 113 . 3 1 1 A 16 16 GLU N N 16 124.270 119.501 4.769 1
1 114 . 3 1 1 A 16 16 GLU H H 16 8.901 8.764 0.137 1
1 115 . 3 1 1 A 16 16 GLU CA C 16 54.729 53.281 1.448 1
1 116 . 3 1 1 A 16 16 GLU HA H 16 4.471 4.873 -0.402 1
1 117 . 3 1 1 A 16 16 GLU CB C 16 29.173 30.940 -1.767 1
1 123 . 3 1 1 A 16 16 GLU C C 16 175.525 176.310 -0.785 1
1 124 . 3 1 1 A 17 17 PRO CA C 17 64.535 64.219 0.316 1
1 125 . 3 1 1 A 17 17 PRO HA H 17 4.306 4.491 -0.185 1
1 126 . 3 1 1 A 17 17 PRO CB C 17 32.105 31.718 0.387 1
1 135 . 3 1 1 A 17 17 PRO C C 17 177.261 177.039 0.222 1
1 136 . 3 1 1 A 18 18 GLU N N 18 116.089 115.569 0.520 1
1 137 . 3 1 1 A 18 18 GLU H H 18 8.459 8.492 -0.033 1
1 138 . 3 1 1 A 18 18 GLU CA C 18 57.215 58.453 -1.238 1
1 139 . 3 1 1 A 18 18 GLU HA H 18 4.203 4.244 -0.041 1
1 140 . 3 1 1 A 18 18 GLU CB C 18 29.321 29.984 -0.663 1
1 146 . 3 1 1 A 18 18 GLU C C 18 176.941 176.697 0.244 1
1 147 . 3 1 1 A 19 19 GLU N N 19 120.173 120.543 -0.370 1
1 148 . 3 1 1 A 19 19 GLU H H 19 7.861 7.839 0.022 1
1 149 . 3 1 1 A 19 19 GLU CA C 19 56.170 56.127 0.043 1
1 150 . 3 1 1 A 19 19 GLU HA H 19 4.257 4.427 -0.170 1
1 151 . 3 1 1 A 19 19 GLU CB C 19 30.012 30.507 -0.495 1
1 157 . 3 1 1 A 19 19 GLU C C 19 176.182 176.288 -0.106 1
1 158 . 3 1 1 A 20 20 THR N N 20 120.847 119.297 1.550 1
1 159 . 3 1 1 A 20 20 THR H H 20 9.010 8.578 0.432 1
1 160 . 3 1 1 A 20 20 THR CA C 20 63.200 64.030 -0.830 1
1 161 . 3 1 1 A 20 20 THR HA H 20 4.188 4.176 0.012 1
1 162 . 3 1 1 A 20 20 THR CB C 20 69.394 68.304 1.090 1
1 168 . 3 1 1 A 20 20 THR C C 20 172.501 174.220 -1.719 1
1 169 . 3 1 1 A 21 21 VAL N N 21 128.753 127.756 0.997 1
1 170 . 3 1 1 A 21 21 VAL H H 21 8.497 8.881 -0.384 1
1 171 . 3 1 1 A 21 21 VAL CA C 21 61.422 61.345 0.077 1
1 172 . 3 1 1 A 21 21 VAL HA H 21 4.546 4.343 0.203 1
1 173 . 3 1 1 A 21 21 VAL CB C 21 33.236 33.009 0.227 1
1 183 . 3 1 1 A 21 21 VAL C C 21 175.700 175.748 -0.048 1
1 184 . 3 1 1 A 22 22 VAL N N 22 119.061 121.293 -2.232 1
1 185 . 3 1 1 A 22 22 VAL H H 22 9.159 9.261 -0.102 1
1 186 . 3 1 1 A 22 22 VAL CA C 22 57.799 59.062 -1.263 1
1 187 . 3 1 1 A 22 22 VAL HA H 22 5.187 5.331 -0.144 1
1 188 . 3 1 1 A 22 22 VAL CB C 22 35.307 35.304 0.003 1
1 198 . 3 1 1 A 22 22 VAL C C 22 173.461 174.611 -1.150 1
1 199 . 3 1 1 A 23 23 ILE N N 23 120.660 122.037 -1.377 1
1 200 . 3 1 1 A 23 23 ILE H H 23 9.354 8.880 0.474 1
1 201 . 3 1 1 A 23 23 ILE CA C 23 58.793 59.754 -0.961 1
1 202 . 3 1 1 A 23 23 ILE HA H 23 5.082 5.016 0.066 1
1 203 . 3 1 1 A 23 23 ILE CB C 23 41.289 41.672 -0.383 1
1 216 . 3 1 1 A 23 23 ILE C C 23 176.270 174.482 1.788 1
1 217 . 3 1 1 A 24 24 ALA N N 24 125.421 127.840 -2.419 1
1 218 . 3 1 1 A 24 24 ALA H H 24 8.184 8.601 -0.417 1
1 219 . 3 1 1 A 24 24 ALA CA C 24 51.461 51.364 0.097 1
1 220 . 3 1 1 A 24 24 ALA HA H 24 4.982 4.937 0.045 1
1 221 . 3 1 1 A 24 24 ALA CB C 24 20.231 20.103 0.128 1
1 225 . 3 1 1 A 24 24 ALA C C 24 178.664 178.073 0.591 1
1 226 . 3 1 1 A 25 25 LEU N N 25 126.185 125.200 0.985 1
1 227 . 3 1 1 A 25 25 LEU H H 25 9.388 8.708 0.680 1
1 228 . 3 1 1 A 25 25 LEU CA C 25 55.799 55.927 -0.128 1
1 229 . 3 1 1 A 25 25 LEU HA H 25 3.875 3.925 -0.050 1
1 230 . 3 1 1 A 25 25 LEU CB C 25 43.786 42.398 1.388 1
1 243 . 3 1 1 A 25 25 LEU C C 25 175.686 176.437 -0.751 1
1 244 . 3 1 1 A 26 26 TYR N N 26 110.488 115.898 -5.410 1
1 245 . 3 1 1 A 26 26 TYR H H 26 6.878 7.552 -0.674 1
1 246 . 3 1 1 A 26 26 TYR CA C 26 53.575 56.253 -2.678 1
1 247 . 3 1 1 A 26 26 TYR HA H 26 4.744 5.149 -0.405 1
1 248 . 3 1 1 A 26 26 TYR CB C 26 42.393 42.602 -0.209 1
1 259 . 3 1 1 A 26 26 TYR C C 26 173.800 173.965 -0.165 1
1 260 . 3 1 1 A 27 27 ASP N N 27 117.327 121.469 -4.142 1
1 261 . 3 1 1 A 27 27 ASP H H 27 8.278 8.870 -0.592 1
1 262 . 3 1 1 A 27 27 ASP CA C 27 54.522 53.233 1.289 1
1 263 . 3 1 1 A 27 27 ASP HA H 27 4.639 5.274 -0.635 1
1 264 . 3 1 1 A 27 27 ASP CB C 27 41.944 40.606 1.338 1
1 267 . 3 1 1 A 27 27 ASP C C 27 176.000 174.919 1.081 1
1 268 . 3 1 1 A 28 28 TYR N N 28 121.747 126.582 -4.835 1
1 269 . 3 1 1 A 28 28 TYR H H 28 8.724 9.315 -0.591 1
1 270 . 3 1 1 A 28 28 TYR CA C 28 57.938 59.459 -1.521 1
1 271 . 3 1 1 A 28 28 TYR HA H 28 4.934 4.813 0.121 1
1 272 . 3 1 1 A 28 28 TYR CB C 28 42.161 39.187 2.974 1
1 283 . 3 1 1 A 28 28 TYR C C 28 173.834 174.569 -0.735 1
1 284 . 3 1 1 A 29 29 GLN N N 29 126.180 125.268 0.912 1
1 285 . 3 1 1 A 29 29 GLN H H 29 7.959 8.123 -0.164 1
1 286 . 3 1 1 A 29 29 GLN CA C 29 54.153 54.088 0.065 1
1 287 . 3 1 1 A 29 29 GLN HA H 29 4.507 4.903 -0.396 1
1 288 . 3 1 1 A 29 29 GLN CB C 29 29.854 32.380 -2.526 1
1 297 . 3 1 1 A 29 29 GLN C C 29 173.966 173.841 0.125 1
1 298 . 3 1 1 A 30 30 THR N N 30 115.009 115.202 -0.193 1
1 299 . 3 1 1 A 30 30 THR H H 30 7.982 8.414 -0.432 1
1 300 . 3 1 1 A 30 30 THR CA C 30 59.769 59.916 -0.147 1
1 301 . 3 1 1 A 30 30 THR HA H 30 4.319 4.755 -0.436 1
1 302 . 3 1 1 A 30 30 THR CB C 30 69.002 70.183 -1.181 1
1 308 . 3 1 1 A 30 30 THR C C 30 172.388 172.493 -0.105 1
1 309 . 3 1 1 A 31 31 ASN N N 31 121.715 122.459 -0.744 1
1 310 . 3 1 1 A 31 31 ASN H H 31 8.702 8.682 0.020 1
1 311 . 3 1 1 A 31 31 ASN CA C 31 52.449 52.700 -0.251 1
1 312 . 3 1 1 A 31 31 ASN HA H 31 4.787 5.070 -0.283 1
1 313 . 3 1 1 A 31 31 ASN CB C 31 39.822 38.999 0.823 1
1 319 . 3 1 1 A 31 31 ASN C C 31 174.579 173.416 1.163 1
1 320 . 3 1 1 A 32 32 ASP N N 32 124.854 120.950 3.904 1
1 321 . 3 1 1 A 32 32 ASP H H 32 8.333 7.034 1.299 1
1 322 . 3 1 1 A 32 32 ASP CA C 32 51.996 50.498 1.498 1
1 323 . 3 1 1 A 32 32 ASP HA H 32 4.827 4.987 -0.160 1
1 324 . 3 1 1 A 32 32 ASP CB C 32 43.075 43.913 -0.838 1
1 327 . 3 1 1 A 32 32 ASP C C 32 176.135 175.629 0.506 1
1 328 . 3 1 1 A 33 33 PRO CA C 33 64.451 64.570 -0.119 1
1 329 . 3 1 1 A 33 33 PRO HA H 33 4.490 4.390 0.100 1
1 330 . 3 1 1 A 33 33 PRO CB C 33 32.425 31.973 0.452 1
1 339 . 3 1 1 A 33 33 PRO C C 33 177.612 177.323 0.289 1
1 340 . 3 1 1 A 34 34 GLN N N 34 116.032 117.146 -1.114 1
1 341 . 3 1 1 A 34 34 GLN H H 34 8.906 8.369 0.537 1
1 342 . 3 1 1 A 34 34 GLN CA C 34 56.080 57.325 -1.245 1
1 343 . 3 1 1 A 34 34 GLN HA H 34 4.559 4.013 0.546 1
1 344 . 3 1 1 A 34 34 GLN CB C 34 29.488 29.426 0.062 1
1 353 . 3 1 1 A 34 34 GLN C C 34 176.811 176.234 0.577 1
1 354 . 3 1 1 A 35 35 GLU N N 35 120.585 117.454 3.131 1
1 355 . 3 1 1 A 35 35 GLU H H 35 7.905 7.812 0.093 1
1 356 . 3 1 1 A 35 35 GLU CA C 35 55.147 54.588 0.559 1
1 357 . 3 1 1 A 35 35 GLU HA H 35 5.370 4.771 0.599 1
1 358 . 3 1 1 A 35 35 GLU CB C 35 33.394 31.013 2.381 1
1 364 . 3 1 1 A 35 35 GLU C C 35 174.508 174.893 -0.385 1
1 365 . 3 1 1 A 36 36 LEU N N 36 122.127 124.175 -2.048 1
1 366 . 3 1 1 A 36 36 LEU H H 36 7.553 8.878 -1.325 1
1 367 . 3 1 1 A 36 36 LEU CA C 36 53.375 53.530 -0.155 1
1 368 . 3 1 1 A 36 36 LEU HA H 36 4.415 5.164 -0.749 1
1 369 . 3 1 1 A 36 36 LEU CB C 36 45.685 46.269 -0.584 1
1 382 . 3 1 1 A 36 36 LEU C C 36 173.533 174.866 -1.333 1
1 383 . 3 1 1 A 37 37 ALA N N 37 124.419 128.907 -4.488 1
1 384 . 3 1 1 A 37 37 ALA H H 37 7.813 8.674 -0.861 1
1 385 . 3 1 1 A 37 37 ALA CA C 37 51.854 51.103 0.751 1
1 386 . 3 1 1 A 37 37 ALA HA H 37 4.581 4.638 -0.057 1
1 387 . 3 1 1 A 37 37 ALA CB C 37 19.371 19.396 -0.025 1
1 391 . 3 1 1 A 37 37 ALA C C 37 177.822 177.252 0.570 1
1 392 . 3 1 1 A 38 38 LEU N N 38 116.787 124.077 -7.290 1
1 393 . 3 1 1 A 38 38 LEU H H 38 8.656 8.682 -0.026 1
1 394 . 3 1 1 A 38 38 LEU CA C 38 52.952 55.400 -2.448 1
1 395 . 3 1 1 A 38 38 LEU HA H 38 5.026 4.183 0.843 1
1 396 . 3 1 1 A 38 38 LEU CB C 38 45.223 42.575 2.648 1
1 409 . 3 1 1 A 38 38 LEU C C 38 177.842 176.347 1.495 1
1 410 . 3 1 1 A 39 39 ARG N N 39 123.462 122.408 1.054 1
1 411 . 3 1 1 A 39 39 ARG H H 39 8.333 8.776 -0.443 1
1 412 . 3 1 1 A 39 39 ARG CA C 39 53.731 54.173 -0.442 1
1 413 . 3 1 1 A 39 39 ARG HA H 39 4.977 5.183 -0.206 1
1 414 . 3 1 1 A 39 39 ARG CB C 39 32.431 34.157 -1.726 1
1 423 . 3 1 1 A 39 39 ARG C C 39 174.595 175.367 -0.772 1
1 424 . 3 1 1 A 40 40 ARG N N 40 123.974 127.436 -3.462 1
1 425 . 3 1 1 A 40 40 ARG H H 40 8.899 8.743 0.156 1
1 426 . 3 1 1 A 40 40 ARG CA C 40 58.302 57.904 0.398 1
1 427 . 3 1 1 A 40 40 ARG HA H 40 3.350 4.051 -0.701 1
1 428 . 3 1 1 A 40 40 ARG CB C 40 30.480 30.008 0.472 1
1 437 . 3 1 1 A 40 40 ARG C C 40 176.432 177.003 -0.571 1
1 438 . 3 1 1 A 41 41 ASN N N 41 117.655 118.757 -1.102 1
1 439 . 3 1 1 A 41 41 ASN H H 41 9.246 8.696 0.550 1
1 440 . 3 1 1 A 41 41 ASN CA C 41 55.859 54.399 1.460 1
1 441 . 3 1 1 A 41 41 ASN HA H 41 4.227 4.372 -0.145 1
1 442 . 3 1 1 A 41 41 ASN CB C 41 37.555 37.027 0.528 1
1 448 . 3 1 1 A 41 41 ASN C C 41 174.318 174.034 0.284 1
1 449 . 3 1 1 A 42 42 GLU N N 42 122.758 117.208 5.550 1
1 450 . 3 1 1 A 42 42 GLU H H 42 8.419 7.746 0.673 1
1 451 . 3 1 1 A 42 42 GLU CA C 42 56.625 55.102 1.523 1
1 452 . 3 1 1 A 42 42 GLU HA H 42 4.445 4.833 -0.388 1
1 453 . 3 1 1 A 42 42 GLU CB C 42 29.887 32.617 -2.730 1
1 459 . 3 1 1 A 42 42 GLU C C 42 173.885 175.321 -1.436 1
1 460 . 3 1 1 A 43 43 GLU N N 43 119.431 121.968 -2.537 1
1 461 . 3 1 1 A 43 43 GLU H H 43 7.901 8.635 -0.734 1
1 462 . 3 1 1 A 43 43 GLU CA C 43 54.997 55.499 -0.502 1
1 463 . 3 1 1 A 43 43 GLU HA H 43 5.106 5.171 -0.065 1
1 464 . 3 1 1 A 43 43 GLU CB C 43 32.392 31.651 0.741 1
1 470 . 3 1 1 A 43 43 GLU C C 43 175.285 175.394 -0.109 1
1 471 . 3 1 1 A 44 44 TYR N N 44 118.011 119.183 -1.172 1
1 472 . 3 1 1 A 44 44 TYR H H 44 9.196 9.068 0.128 1
1 473 . 3 1 1 A 44 44 TYR CA C 44 56.847 56.540 0.307 1
1 474 . 3 1 1 A 44 44 TYR HA H 44 4.708 4.862 -0.154 1
1 475 . 3 1 1 A 44 44 TYR CB C 44 42.218 42.474 -0.256 1
1 486 . 3 1 1 A 44 44 TYR C C 44 173.315 174.344 -1.029 1
1 487 . 3 1 1 A 45 45 CYS N N 45 120.674 123.272 -2.598 1
1 488 . 3 1 1 A 45 45 CYS H H 45 8.803 8.629 0.174 1
1 489 . 3 1 1 A 45 45 CYS CA C 45 57.318 57.925 -0.607 1
1 490 . 3 1 1 A 45 45 CYS HA H 45 4.425 4.844 -0.419 1
1 491 . 3 1 1 A 45 45 CYS CB C 45 27.610 29.341 -1.731 1
1 494 . 3 1 1 A 45 45 CYS C C 45 174.817 173.954 0.863 1
1 495 . 3 1 1 A 46 46 LEU N N 46 129.242 126.933 2.309 1
1 496 . 3 1 1 A 46 46 LEU H H 46 8.803 8.311 0.492 1
1 497 . 3 1 1 A 46 46 LEU CA C 46 55.404 54.791 0.613 1
1 498 . 3 1 1 A 46 46 LEU HA H 46 4.224 4.493 -0.269 1
1 499 . 3 1 1 A 46 46 LEU CB C 46 42.929 42.040 0.889 1
1 512 . 3 1 1 A 46 46 LEU C C 46 174.895 175.436 -0.541 1
1 513 . 3 1 1 A 47 47 LEU N N 47 127.172 128.830 -1.658 1
1 514 . 3 1 1 A 47 47 LEU H H 47 8.780 9.076 -0.296 1
1 515 . 3 1 1 A 47 47 LEU CA C 47 55.322 56.773 -1.451 1
1 516 . 3 1 1 A 47 47 LEU HA H 47 4.478 4.258 0.220 1
1 517 . 3 1 1 A 47 47 LEU CB C 47 42.904 42.547 0.357 1
1 530 . 3 1 1 A 47 47 LEU C C 47 177.543 176.617 0.926 1
1 531 . 3 1 1 A 48 48 ASP N N 48 115.262 117.038 -1.776 1
1 532 . 3 1 1 A 48 48 ASP H H 48 7.516 7.568 -0.052 1
1 533 . 3 1 1 A 48 48 ASP CA C 48 54.649 53.166 1.483 1
1 534 . 3 1 1 A 48 48 ASP HA H 48 4.754 4.866 -0.112 1
1 535 . 3 1 1 A 48 48 ASP CB C 48 43.524 44.379 -0.855 1
1 538 . 3 1 1 A 48 48 ASP C C 48 175.044 174.959 0.085 1
1 539 . 3 1 1 A 49 49 SER N N 49 123.571 121.649 1.922 1
1 540 . 3 1 1 A 49 49 SER H H 49 8.911 8.803 0.108 1
1 541 . 3 1 1 A 49 49 SER CA C 49 56.641 57.356 -0.715 1
1 542 . 3 1 1 A 49 49 SER HA H 49 4.019 4.560 -0.541 1
1 543 . 3 1 1 A 49 49 SER CB C 49 62.018 62.782 -0.764 1
1 546 . 3 1 1 A 49 49 SER C C 49 173.953 174.728 -0.775 1
1 547 . 3 1 1 A 50 50 SER N N 50 118.555 117.248 1.307 1
1 548 . 3 1 1 A 50 50 SER H H 50 8.528 8.017 0.511 1
1 549 . 3 1 1 A 50 50 SER CA C 50 61.824 61.679 0.145 1
1 550 . 3 1 1 A 50 50 SER HA H 50 4.050 4.103 -0.053 1
1 551 . 3 1 1 A 50 50 SER CB C 50 63.334 63.338 -0.004 1
1 554 . 3 1 1 A 50 50 SER C C 50 175.507 174.473 1.034 1
1 555 . 3 1 1 A 51 51 GLU N N 51 123.653 118.808 4.845 1
1 556 . 3 1 1 A 51 51 GLU H H 51 8.756 8.182 0.574 1
1 557 . 3 1 1 A 51 51 GLU CA C 51 55.391 55.527 -0.136 1
1 558 . 3 1 1 A 51 51 GLU HA H 51 4.690 4.591 0.099 1
1 559 . 3 1 1 A 51 51 GLU CB C 51 30.112 30.948 -0.836 1
1 565 . 3 1 1 A 51 51 GLU C C 51 176.574 176.835 -0.261 1
1 566 . 3 1 1 A 52 52 ILE N N 52 117.495 124.108 -6.613 1
1 567 . 3 1 1 A 52 52 ILE H H 52 8.223 8.775 -0.552 1
1 568 . 3 1 1 A 52 52 ILE CA C 52 64.478 63.771 0.707 1
1 569 . 3 1 1 A 52 52 ILE HA H 52 3.946 3.982 -0.036 1
1 570 . 3 1 1 A 52 52 ILE CB C 52 38.365 37.806 0.559 1
1 583 . 3 1 1 A 52 52 ILE C C 52 178.681 177.315 1.366 1
1 584 . 3 1 1 A 53 53 HIS N N 53 116.338 116.790 -0.452 1
1 585 . 3 1 1 A 53 53 HIS H H 53 8.529 7.436 1.093 1
1 586 . 3 1 1 A 53 53 HIS CA C 53 57.974 58.833 -0.859 1
1 587 . 3 1 1 A 53 53 HIS HA H 53 4.332 4.016 0.316 1
1 588 . 3 1 1 A 53 53 HIS CB C 53 31.646 30.253 1.393 1
1 595 . 3 1 1 A 53 53 HIS C C 53 175.678 174.583 1.095 1
1 596 . 3 1 1 A 54 54 TRP N N 54 120.664 116.711 3.953 1
1 597 . 3 1 1 A 54 54 TRP H H 54 7.298 7.929 -0.631 1
1 598 . 3 1 1 A 54 54 TRP CA C 54 55.972 55.468 0.504 1
1 599 . 3 1 1 A 54 54 TRP HA H 54 5.142 5.280 -0.138 1
1 600 . 3 1 1 A 54 54 TRP CB C 54 31.957 31.562 0.395 1
1 615 . 3 1 1 A 54 54 TRP C C 54 174.289 175.535 -1.246 1
1 616 . 3 1 1 A 55 55 TRP N N 55 124.636 123.952 0.684 1
1 617 . 3 1 1 A 55 55 TRP H H 55 9.260 9.457 -0.197 1
1 618 . 3 1 1 A 55 55 TRP CA C 55 53.365 55.730 -2.365 1
1 619 . 3 1 1 A 55 55 TRP HA H 55 5.503 5.308 0.195 1
1 620 . 3 1 1 A 55 55 TRP CB C 55 32.591 32.426 0.165 1
1 635 . 3 1 1 A 55 55 TRP C C 55 174.620 175.459 -0.839 1
1 636 . 3 1 1 A 56 56 ARG N N 56 122.963 124.791 -1.828 1
1 637 . 3 1 1 A 56 56 ARG H H 56 8.876 9.138 -0.262 1
1 638 . 3 1 1 A 56 56 ARG CA C 56 55.250 55.482 -0.232 1
1 639 . 3 1 1 A 56 56 ARG HA H 56 4.716 4.923 -0.207 1
1 640 . 3 1 1 A 56 56 ARG CB C 56 32.705 31.513 1.192 1
1 651 . 3 1 1 A 56 56 ARG C C 56 175.777 176.047 -0.270 1
1 652 . 3 1 1 A 57 57 VAL N N 57 119.683 120.032 -0.349 1
1 653 . 3 1 1 A 57 57 VAL H H 57 8.784 9.024 -0.240 1
1 654 . 3 1 1 A 57 57 VAL CA C 57 58.632 58.751 -0.119 1
1 655 . 3 1 1 A 57 57 VAL HA H 57 5.356 5.507 -0.151 1
1 656 . 3 1 1 A 57 57 VAL CB C 57 36.354 36.305 0.049 1
1 666 . 3 1 1 A 57 57 VAL C C 57 172.758 173.513 -0.755 1
1 667 . 3 1 1 A 58 58 GLN N N 58 118.904 120.709 -1.805 1
1 668 . 3 1 1 A 58 58 GLN H H 58 8.911 9.111 -0.200 1
1 669 . 3 1 1 A 58 58 GLN CA C 58 53.324 54.324 -1.000 1
1 670 . 3 1 1 A 58 58 GLN HA H 58 5.677 5.038 0.639 1
1 671 . 3 1 1 A 58 58 GLN CB C 58 35.149 32.579 2.570 1
1 680 . 3 1 1 A 58 58 GLN C C 58 175.711 174.261 1.450 1
1 681 . 3 1 1 A 59 59 ASP N N 59 125.232 126.972 -1.740 1
1 682 . 3 1 1 A 59 59 ASP H H 59 9.274 8.960 0.314 1
1 683 . 3 1 1 A 59 59 ASP CA C 59 52.577 54.062 -1.485 1
1 684 . 3 1 1 A 59 59 ASP HA H 59 5.257 4.883 0.374 1
1 685 . 3 1 1 A 59 59 ASP CB C 59 43.563 42.223 1.340 1
1 688 . 3 1 1 A 59 59 ASP C C 59 178.615 177.332 1.283 1
1 689 . 3 1 1 A 60 60 ARG N N 60 117.439 125.742 -8.303 1
1 690 . 3 1 1 A 60 60 ARG H H 60 9.177 8.961 0.216 1
1 691 . 3 1 1 A 60 60 ARG CA C 60 57.908 59.306 -1.398 1
1 692 . 3 1 1 A 60 60 ARG HA H 60 3.987 3.956 0.031 1
1 693 . 3 1 1 A 60 60 ARG CB C 60 29.590 29.679 -0.089 1
1 702 . 3 1 1 A 60 60 ARG C C 60 176.395 177.889 -1.494 1
1 703 . 3 1 1 A 61 61 ASN N N 61 117.081 113.976 3.105 1
1 704 . 3 1 1 A 61 61 ASN H H 61 8.294 8.012 0.282 1
1 705 . 3 1 1 A 61 61 ASN CA C 61 53.024 54.007 -0.983 1
1 706 . 3 1 1 A 61 61 ASN HA H 61 4.852 4.472 0.380 1
1 707 . 3 1 1 A 61 61 ASN CB C 61 39.662 38.759 0.903 1
1 713 . 3 1 1 A 61 61 ASN C C 61 175.197 175.368 -0.171 1
1 714 . 3 1 1 A 62 62 GLY N N 62 107.804 105.877 1.927 1
1 715 . 3 1 1 A 62 62 GLY H H 62 8.195 7.562 0.633 1
1 716 . 3 1 1 A 62 62 GLY CA C 62 45.423 44.981 0.442 1
1 717 . 3 1 1 A 62 62 GLY HA2 H 62 3.551 4.060 -0.509 1
1 718 . 3 1 1 A 62 62 GLY HA3 H 62 4.225 4.070 0.155 1
1 719 . 3 1 1 A 62 62 GLY C C 62 174.475 174.420 0.055 1
1 720 . 3 1 1 A 63 63 HIS N N 63 122.780 118.025 4.755 1
1 721 . 3 1 1 A 63 63 HIS H H 63 8.615 7.738 0.877 1
1 722 . 3 1 1 A 63 63 HIS CA C 63 55.653 55.665 -0.012 1
1 723 . 3 1 1 A 63 63 HIS HA H 63 4.784 4.656 0.128 1
1 724 . 3 1 1 A 63 63 HIS CB C 63 29.357 30.614 -1.257 1
1 731 . 3 1 1 A 63 63 HIS C C 63 173.926 174.666 -0.740 1
1 732 . 3 1 1 A 64 64 GLU N N 64 119.741 124.106 -4.365 1
1 733 . 3 1 1 A 64 64 GLU H H 64 8.681 8.697 -0.016 1
1 734 . 3 1 1 A 64 64 GLU CA C 64 53.989 55.099 -1.110 1
1 735 . 3 1 1 A 64 64 GLU HA H 64 5.835 5.499 0.336 1
1 736 . 3 1 1 A 64 64 GLU CB C 64 34.417 32.567 1.850 1
1 742 . 3 1 1 A 64 64 GLU C C 64 176.358 175.992 0.366 1
1 743 . 3 1 1 A 65 65 GLY N N 65 105.646 108.728 -3.082 1
1 744 . 3 1 1 A 65 65 GLY H H 65 8.399 8.295 0.104 1
1 745 . 3 1 1 A 65 65 GLY CA C 65 45.368 45.459 -0.091 1
1 746 . 3 1 1 A 65 65 GLY HA2 H 65 3.959 3.981 -0.022 1
1 747 . 3 1 1 A 65 65 GLY HA3 H 65 3.835 4.125 -0.290 1
1 748 . 3 1 1 A 65 65 GLY C C 65 170.819 171.594 -0.775 1
1 749 . 3 1 1 A 66 66 TYR N N 66 119.001 120.487 -1.486 1
1 750 . 3 1 1 A 66 66 TYR H H 66 8.863 8.449 0.414 1
1 751 . 3 1 1 A 66 66 TYR CA C 66 59.140 59.481 -0.341 1
1 752 . 3 1 1 A 66 66 TYR HA H 66 5.317 4.767 0.550 1
1 753 . 3 1 1 A 66 66 TYR CB C 66 40.974 38.650 2.324 1
1 764 . 3 1 1 A 66 66 TYR C C 66 176.158 175.986 0.172 1
1 765 . 3 1 1 A 67 67 VAL N N 67 112.145 118.762 -6.617 1
1 766 . 3 1 1 A 67 67 VAL H H 67 9.180 8.833 0.347 1
1 767 . 3 1 1 A 67 67 VAL CA C 67 57.686 58.212 -0.526 1
1 768 . 3 1 1 A 67 67 VAL HA H 67 4.803 5.033 -0.230 1
1 769 . 3 1 1 A 67 67 VAL CB C 67 33.564 33.662 -0.098 1
1 779 . 3 1 1 A 67 67 VAL C C 67 172.139 173.486 -1.347 1
1 780 . 3 1 1 A 68 68 PRO CA C 68 61.422 62.450 -1.028 1
1 781 . 3 1 1 A 68 68 PRO HA H 68 3.745 4.564 -0.819 1
1 782 . 3 1 1 A 68 68 PRO CB C 68 30.557 31.070 -0.513 1
1 791 . 3 1 1 A 68 68 PRO C C 68 178.674 177.273 1.401 1
1 792 . 3 1 1 A 69 69 SER N N 69 122.331 121.286 1.045 1
1 793 . 3 1 1 A 69 69 SER H H 69 7.791 8.308 -0.517 1
1 794 . 3 1 1 A 69 69 SER CA C 69 60.162 61.077 -0.915 1
1 795 . 3 1 1 A 69 69 SER HA H 69 2.790 3.878 -1.088 1
1 796 . 3 1 1 A 69 69 SER CB C 69 60.021 61.799 -1.778 1
1 799 . 3 1 1 A 69 69 SER C C 69 176.238 176.068 0.170 1
1 800 . 3 1 1 A 70 70 SER N N 70 114.849 116.137 -1.288 1
1 801 . 3 1 1 A 70 70 SER H H 70 7.812 7.855 -0.043 1
1 802 . 3 1 1 A 70 70 SER CA C 70 59.590 62.319 -2.729 1
1 803 . 3 1 1 A 70 70 SER HA H 70 4.095 4.017 0.078 1
1 804 . 3 1 1 A 70 70 SER CB C 70 62.885 62.946 -0.061 1
1 807 . 3 1 1 A 70 70 SER C C 70 175.286 176.596 -1.310 1
1 808 . 3 1 1 A 71 71 TYR N N 71 122.244 119.246 2.998 1
1 809 . 3 1 1 A 71 71 TYR H H 71 7.593 8.176 -0.583 1
1 810 . 3 1 1 A 71 71 TYR CA C 71 58.102 60.367 -2.265 1
1 811 . 3 1 1 A 71 71 TYR HA H 71 4.496 4.365 0.131 1
1 812 . 3 1 1 A 71 71 TYR CB C 71 37.631 38.851 -1.220 1
1 823 . 3 1 1 A 71 71 TYR C C 71 174.002 176.502 -2.500 1
1 824 . 3 1 1 A 72 72 LEU N N 72 119.079 119.351 -0.272 1
1 825 . 3 1 1 A 72 72 LEU H H 72 7.270 7.189 0.081 1
1 826 . 3 1 1 A 72 72 LEU CA C 72 53.625 55.770 -2.145 1
1 827 . 3 1 1 A 72 72 LEU HA H 72 5.388 4.432 0.956 1
1 828 . 3 1 1 A 72 72 LEU CB C 72 46.623 42.726 3.897 1
1 841 . 3 1 1 A 72 72 LEU C C 72 175.893 176.333 -0.440 1
1 842 . 3 1 1 A 73 73 VAL N N 73 116.343 118.416 -2.073 1
1 843 . 3 1 1 A 73 73 VAL H H 73 8.610 8.600 0.010 1
1 844 . 3 1 1 A 73 73 VAL CA C 73 59.707 59.249 0.458 1
1 845 . 3 1 1 A 73 73 VAL HA H 73 4.601 4.754 -0.153 1
1 846 . 3 1 1 A 73 73 VAL CB C 73 35.811 35.605 0.206 1
1 856 . 3 1 1 A 73 73 VAL C C 73 174.186 174.611 -0.425 1
1 857 . 3 1 1 A 74 74 GLU N N 74 124.925 125.661 -0.736 1
1 858 . 3 1 1 A 74 74 GLU H H 74 8.845 8.657 0.188 1
1 859 . 3 1 1 A 74 74 GLU CA C 74 57.745 57.072 0.673 1
1 860 . 3 1 1 A 74 74 GLU HA H 74 4.363 4.262 0.101 1
1 861 . 3 1 1 A 74 74 GLU CB C 74 30.164 30.385 -0.221 1
1 867 . 3 1 1 A 74 74 GLU C C 74 176.322 176.389 -0.067 1
1 868 . 3 1 1 A 75 75 LYS N N 75 125.959 129.360 -3.401 1
1 869 . 3 1 1 A 75 75 LYS H H 75 8.556 8.015 0.541 1
1 870 . 3 1 1 A 75 75 LYS CA C 75 57.115 57.487 -0.372 1
1 871 . 3 1 1 A 75 75 LYS HA H 75 4.157 4.144 0.013 1
1 872 . 3 1 1 A 75 75 LYS CB C 75 33.626 33.049 0.577 1
1 884 . 3 1 1 A 75 75 LYS C C 75 175.944 175.961 -0.017 1
1 885 . 3 1 1 A 76 76 SER N N 76 121.519 120.972 0.547 1
1 886 . 3 1 1 A 76 76 SER H H 76 8.576 8.551 0.025 1
1 887 . 3 1 1 A 76 76 SER CA C 76 56.205 57.006 -0.801 1
1 888 . 3 1 1 A 76 76 SER HA H 76 4.809 4.536 0.273 1
1 889 . 3 1 1 A 76 76 SER CB C 76 63.582 63.254 0.328 1
1 891 . 3 1 1 A 76 76 SER C C 76 172.875 174.841 -1.966 1
1 892 . 3 1 1 A 77 77 PRO CA C 77 63.453 64.484 -1.031 1
1 893 . 3 1 1 A 77 77 PRO HA H 77 4.434 4.449 -0.015 1
1 894 . 3 1 1 A 77 77 PRO CB C 77 32.104 32.058 0.046 1
1 903 . 3 1 1 A 77 77 PRO C C 77 176.734 176.328 0.406 1
1 904 . 3 1 1 A 78 78 ASN N N 78 118.087 117.299 0.788 1
1 905 . 3 1 1 A 78 78 ASN H H 78 8.434 8.214 0.220 1
1 906 . 3 1 1 A 78 78 ASN CA C 78 53.314 53.408 -0.094 1
1 907 . 3 1 1 A 78 78 ASN HA H 78 4.653 4.781 -0.128 1
1 908 . 3 1 1 A 78 78 ASN CB C 78 38.823 39.384 -0.561 1
1 914 . 3 1 1 A 78 78 ASN C C 78 174.985 175.128 -0.143 1
1 915 . 3 1 1 A 79 79 ASN N N 79 119.198 122.716 -3.518 1
1 916 . 3 1 1 A 79 79 ASN H H 79 8.312 8.775 -0.463 1
1 917 . 3 1 1 A 79 79 ASN CA C 79 53.379 52.228 1.151 1
1 918 . 3 1 1 A 79 79 ASN HA H 79 4.696 5.088 -0.392 1
1 919 . 3 1 1 A 79 79 ASN CB C 79 38.827 38.859 -0.032 1
1 925 . 3 1 1 A 79 79 ASN C C 79 175.132 174.323 0.809 1
1 926 . 3 1 1 A 80 80 LEU N N 80 122.154 126.588 -4.434 1
1 927 . 3 1 1 A 80 80 LEU H H 80 8.195 8.808 -0.613 1
1 928 . 3 1 1 A 80 80 LEU CA C 80 55.523 54.613 0.910 1
1 929 . 3 1 1 A 80 80 LEU HA H 80 4.305 4.722 -0.417 1
1 930 . 3 1 1 A 80 80 LEU CB C 80 42.304 43.917 -1.613 1
1 943 . 3 1 1 A 80 80 LEU C C 80 177.461 176.269 1.192 1
1 944 . 3 1 1 A 81 81 GLU N N 81 121.156 126.354 -5.198 1
1 945 . 3 1 1 A 81 81 GLU H H 81 8.341 8.600 -0.259 1
1 946 . 3 1 1 A 81 81 GLU CA C 81 56.665 55.679 0.986 1
1 947 . 3 1 1 A 81 81 GLU HA H 81 4.253 4.473 -0.220 1
1 948 . 3 1 1 A 81 81 GLU CB C 81 30.219 29.454 0.765 1
1 954 . 3 1 1 A 81 81 GLU C C 81 176.365 175.841 0.524 1
1 955 . 3 1 1 A 82 82 THR N N 82 114.319 117.904 -3.585 1
1 956 . 3 1 1 A 82 82 THR H H 82 7.970 8.016 -0.046 1
1 957 . 3 1 1 A 82 82 THR CA C 82 61.517 60.358 1.159 1
1 958 . 3 1 1 A 82 82 THR HA H 82 4.211 4.473 -0.262 1
1 959 . 3 1 1 A 82 82 THR CB C 82 69.881 70.480 -0.599 1
1 965 . 3 1 1 A 82 82 THR C C 82 173.812 173.992 -0.180 1
1 966 . 3 1 1 A 83 83 TYR N N 83 122.614 123.050 -0.436 1
1 967 . 3 1 1 A 83 83 TYR H H 83 8.076 8.579 -0.503 1
1 968 . 3 1 1 A 83 83 TYR CA C 83 57.640 59.225 -1.585 1
1 969 . 3 1 1 A 83 83 TYR HA H 83 4.444 4.725 -0.281 1
1 970 . 3 1 1 A 83 83 TYR CB C 83 38.964 38.732 0.232 1
1 981 . 3 1 1 A 83 83 TYR C C 83 175.115 176.871 -1.756 1
1 982 . 3 1 1 A 84 84 GLU N N 84 122.790 120.260 2.530 1
1 983 . 3 1 1 A 84 84 GLU H H 84 7.995 8.694 -0.699 1
1 984 . 3 1 1 A 84 84 GLU CA C 84 56.097 55.371 0.726 1
1 985 . 3 1 1 A 84 84 GLU HA H 84 4.227 4.751 -0.524 1
1 986 . 3 1 1 A 84 84 GLU CB C 84 30.506 29.103 1.403 1
1 992 . 3 1 1 A 84 84 GLU C C 84 174.707 177.288 -2.581 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.365 46.417 -1.052 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.970 3.930 0.040 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.824 3.930 -0.106 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.351 175.030 -0.679 1
1 5 . 4 1 1 A 8 8 GLU N N 8 120.458 119.409 1.049 1
1 6 . 4 1 1 A 8 8 GLU H H 8 8.288 8.047 0.241 1
1 7 . 4 1 1 A 8 8 GLU CA C 8 56.663 56.431 0.232 1
1 8 . 4 1 1 A 8 8 GLU HA H 8 4.254 4.382 -0.128 1
1 9 . 4 1 1 A 8 8 GLU CB C 8 30.248 31.092 -0.844 1
1 15 . 4 1 1 A 8 8 GLU C C 8 176.364 174.776 1.588 1
1 16 . 4 1 1 A 9 9 ASP N N 9 120.849 118.579 2.270 1
1 17 . 4 1 1 A 9 9 ASP H H 9 8.379 8.768 -0.389 1
1 18 . 4 1 1 A 9 9 ASP CA C 9 54.402 53.293 1.109 1
1 19 . 4 1 1 A 9 9 ASP HA H 9 4.543 5.066 -0.523 1
1 20 . 4 1 1 A 9 9 ASP CB C 9 41.035 44.943 -3.908 1
1 23 . 4 1 1 A 9 9 ASP C C 9 176.003 174.997 1.006 1
1 24 . 4 1 1 A 10 10 ASN N N 10 119.270 120.640 -1.370 1
1 25 . 4 1 1 A 10 10 ASN H H 10 8.303 8.643 -0.340 1
1 26 . 4 1 1 A 10 10 ASN CA C 10 53.233 52.837 0.396 1
1 27 . 4 1 1 A 10 10 ASN HA H 10 4.654 4.872 -0.218 1
1 28 . 4 1 1 A 10 10 ASN CB C 10 38.832 38.929 -0.097 1
1 34 . 4 1 1 A 10 10 ASN C C 10 175.079 174.773 0.306 1
1 35 . 4 1 1 A 11 11 ARG N N 11 120.795 123.878 -3.083 1
1 36 . 4 1 1 A 11 11 ARG H H 11 8.132 8.217 -0.085 1
1 37 . 4 1 1 A 11 11 ARG CA C 11 56.092 56.542 -0.450 1
1 38 . 4 1 1 A 11 11 ARG HA H 11 4.257 4.273 -0.016 1
1 39 . 4 1 1 A 11 11 ARG CB C 11 30.721 30.737 -0.016 1
1 48 . 4 1 1 A 11 11 ARG C C 11 176.045 175.911 0.134 1
1 49 . 4 1 1 A 12 12 ARG N N 12 123.167 125.463 -2.296 1
1 50 . 4 1 1 A 12 12 ARG H H 12 8.222 8.479 -0.257 1
1 51 . 4 1 1 A 12 12 ARG CA C 12 53.918 53.204 0.714 1
1 52 . 4 1 1 A 12 12 ARG HA H 12 4.506 4.736 -0.230 1
1 53 . 4 1 1 A 12 12 ARG CB C 12 29.923 30.262 -0.339 1
1 62 . 4 1 1 A 12 12 ARG C C 12 174.073 173.921 0.152 1
1 63 . 4 1 1 A 13 13 PRO CA C 13 62.815 62.462 0.353 1
1 64 . 4 1 1 A 13 13 PRO HA H 13 4.255 4.637 -0.382 1
1 65 . 4 1 1 A 13 13 PRO CB C 13 31.903 33.484 -1.581 1
1 74 . 4 1 1 A 13 13 PRO C C 13 176.315 176.613 -0.298 1
1 75 . 4 1 1 A 14 14 LEU N N 14 122.009 119.797 2.212 1
1 76 . 4 1 1 A 14 14 LEU H H 14 8.090 8.691 -0.601 1
1 77 . 4 1 1 A 14 14 LEU CA C 14 55.286 55.542 -0.256 1
1 78 . 4 1 1 A 14 14 LEU HA H 14 4.065 4.159 -0.094 1
1 79 . 4 1 1 A 14 14 LEU CB C 14 42.258 42.247 0.011 1
1 92 . 4 1 1 A 14 14 LEU C C 14 176.610 176.647 -0.037 1
1 93 . 4 1 1 A 15 15 TRP N N 15 120.219 117.629 2.590 1
1 94 . 4 1 1 A 15 15 TRP H H 15 7.582 7.574 0.008 1
1 95 . 4 1 1 A 15 15 TRP CA C 15 56.114 57.304 -1.190 1
1 96 . 4 1 1 A 15 15 TRP HA H 15 4.803 4.884 -0.081 1
1 97 . 4 1 1 A 15 15 TRP CB C 15 29.845 30.789 -0.944 1
1 112 . 4 1 1 A 15 15 TRP C C 15 176.093 176.008 0.085 1
1 113 . 4 1 1 A 16 16 GLU N N 16 124.270 119.560 4.710 1
1 114 . 4 1 1 A 16 16 GLU H H 16 8.901 8.692 0.209 1
1 115 . 4 1 1 A 16 16 GLU CA C 16 54.729 53.430 1.299 1
1 116 . 4 1 1 A 16 16 GLU HA H 16 4.471 4.850 -0.379 1
1 117 . 4 1 1 A 16 16 GLU CB C 16 29.173 30.793 -1.620 1
1 123 . 4 1 1 A 16 16 GLU C C 16 175.525 176.258 -0.733 1
1 124 . 4 1 1 A 17 17 PRO CA C 17 64.535 65.121 -0.586 1
1 125 . 4 1 1 A 17 17 PRO HA H 17 4.306 4.342 -0.036 1
1 126 . 4 1 1 A 17 17 PRO CB C 17 32.105 31.986 0.119 1
1 135 . 4 1 1 A 17 17 PRO C C 17 177.261 178.027 -0.766 1
1 136 . 4 1 1 A 18 18 GLU N N 18 116.089 118.064 -1.975 1
1 137 . 4 1 1 A 18 18 GLU H H 18 8.459 8.259 0.200 1
1 138 . 4 1 1 A 18 18 GLU CA C 18 57.215 59.627 -2.412 1
1 139 . 4 1 1 A 18 18 GLU HA H 18 4.203 4.102 0.101 1
1 140 . 4 1 1 A 18 18 GLU CB C 18 29.321 29.329 -0.008 1
1 146 . 4 1 1 A 18 18 GLU C C 18 176.941 177.296 -0.355 1
1 147 . 4 1 1 A 19 19 GLU N N 19 120.173 119.091 1.082 1
1 148 . 4 1 1 A 19 19 GLU H H 19 7.861 7.893 -0.032 1
1 149 . 4 1 1 A 19 19 GLU CA C 19 56.170 57.062 -0.892 1
1 150 . 4 1 1 A 19 19 GLU HA H 19 4.257 4.401 -0.144 1
1 151 . 4 1 1 A 19 19 GLU CB C 19 30.012 30.741 -0.729 1
1 157 . 4 1 1 A 19 19 GLU C C 19 176.182 176.175 0.007 1
1 158 . 4 1 1 A 20 20 THR N N 20 120.847 118.129 2.718 1
1 159 . 4 1 1 A 20 20 THR H H 20 9.010 8.514 0.496 1
1 160 . 4 1 1 A 20 20 THR CA C 20 63.200 62.207 0.993 1
1 161 . 4 1 1 A 20 20 THR HA H 20 4.188 4.752 -0.564 1
1 162 . 4 1 1 A 20 20 THR CB C 20 69.394 69.300 0.094 1
1 168 . 4 1 1 A 20 20 THR C C 20 172.501 173.941 -1.440 1
1 169 . 4 1 1 A 21 21 VAL N N 21 128.753 128.507 0.246 1
1 170 . 4 1 1 A 21 21 VAL H H 21 8.497 9.023 -0.526 1
1 171 . 4 1 1 A 21 21 VAL CA C 21 61.422 61.491 -0.069 1
1 172 . 4 1 1 A 21 21 VAL HA H 21 4.546 4.352 0.194 1
1 173 . 4 1 1 A 21 21 VAL CB C 21 33.236 32.811 0.425 1
1 183 . 4 1 1 A 21 21 VAL C C 21 175.700 175.650 0.050 1
1 184 . 4 1 1 A 22 22 VAL N N 22 119.061 121.174 -2.113 1
1 185 . 4 1 1 A 22 22 VAL H H 22 9.159 8.855 0.304 1
1 186 . 4 1 1 A 22 22 VAL CA C 22 57.799 58.969 -1.170 1
1 187 . 4 1 1 A 22 22 VAL HA H 22 5.187 5.242 -0.055 1
1 188 . 4 1 1 A 22 22 VAL CB C 22 35.307 35.611 -0.304 1
1 198 . 4 1 1 A 22 22 VAL C C 22 173.461 174.493 -1.032 1
1 199 . 4 1 1 A 23 23 ILE N N 23 120.660 122.785 -2.125 1
1 200 . 4 1 1 A 23 23 ILE H H 23 9.354 8.725 0.629 1
1 201 . 4 1 1 A 23 23 ILE CA C 23 58.793 59.887 -1.094 1
1 202 . 4 1 1 A 23 23 ILE HA H 23 5.082 5.152 -0.070 1
1 203 . 4 1 1 A 23 23 ILE CB C 23 41.289 41.257 0.032 1
1 216 . 4 1 1 A 23 23 ILE C C 23 176.270 174.405 1.865 1
1 217 . 4 1 1 A 24 24 ALA N N 24 125.421 127.776 -2.355 1
1 218 . 4 1 1 A 24 24 ALA H H 24 8.184 8.364 -0.180 1
1 219 . 4 1 1 A 24 24 ALA CA C 24 51.461 51.070 0.391 1
1 220 . 4 1 1 A 24 24 ALA HA H 24 4.982 5.009 -0.027 1
1 221 . 4 1 1 A 24 24 ALA CB C 24 20.231 20.043 0.188 1
1 225 . 4 1 1 A 24 24 ALA C C 24 178.664 177.501 1.163 1
1 226 . 4 1 1 A 25 25 LEU N N 25 126.185 124.598 1.587 1
1 227 . 4 1 1 A 25 25 LEU H H 25 9.388 8.966 0.422 1
1 228 . 4 1 1 A 25 25 LEU CA C 25 55.799 55.494 0.305 1
1 229 . 4 1 1 A 25 25 LEU HA H 25 3.875 4.075 -0.200 1
1 230 . 4 1 1 A 25 25 LEU CB C 25 43.786 42.082 1.704 1
1 243 . 4 1 1 A 25 25 LEU C C 25 175.686 176.196 -0.510 1
1 244 . 4 1 1 A 26 26 TYR N N 26 110.488 116.210 -5.722 1
1 245 . 4 1 1 A 26 26 TYR H H 26 6.878 7.688 -0.810 1
1 246 . 4 1 1 A 26 26 TYR CA C 26 53.575 56.497 -2.922 1
1 247 . 4 1 1 A 26 26 TYR HA H 26 4.744 5.148 -0.404 1
1 248 . 4 1 1 A 26 26 TYR CB C 26 42.393 42.457 -0.064 1
1 259 . 4 1 1 A 26 26 TYR C C 26 173.800 174.782 -0.982 1
1 260 . 4 1 1 A 27 27 ASP N N 27 117.327 122.424 -5.097 1
1 261 . 4 1 1 A 27 27 ASP H H 27 8.278 8.860 -0.582 1
1 262 . 4 1 1 A 27 27 ASP CA C 27 54.522 54.420 0.102 1
1 263 . 4 1 1 A 27 27 ASP HA H 27 4.639 5.052 -0.413 1
1 264 . 4 1 1 A 27 27 ASP CB C 27 41.944 40.778 1.166 1
1 267 . 4 1 1 A 27 27 ASP C C 27 176.000 174.888 1.112 1
1 268 . 4 1 1 A 28 28 TYR N N 28 121.747 126.992 -5.245 1
1 269 . 4 1 1 A 28 28 TYR H H 28 8.724 8.741 -0.017 1
1 270 . 4 1 1 A 28 28 TYR CA C 28 57.938 58.260 -0.322 1
1 271 . 4 1 1 A 28 28 TYR HA H 28 4.934 4.794 0.140 1
1 272 . 4 1 1 A 28 28 TYR CB C 28 42.161 38.915 3.246 1
1 283 . 4 1 1 A 28 28 TYR C C 28 173.834 174.341 -0.507 1
1 284 . 4 1 1 A 29 29 GLN N N 29 126.180 125.595 0.585 1
1 285 . 4 1 1 A 29 29 GLN H H 29 7.959 8.503 -0.544 1
1 286 . 4 1 1 A 29 29 GLN CA C 29 54.153 54.196 -0.043 1
1 287 . 4 1 1 A 29 29 GLN HA H 29 4.507 5.028 -0.521 1
1 288 . 4 1 1 A 29 29 GLN CB C 29 29.854 31.562 -1.708 1
1 297 . 4 1 1 A 29 29 GLN C C 29 173.966 174.493 -0.527 1
1 298 . 4 1 1 A 30 30 THR N N 30 115.009 114.733 0.276 1
1 299 . 4 1 1 A 30 30 THR H H 30 7.982 8.458 -0.476 1
1 300 . 4 1 1 A 30 30 THR CA C 30 59.769 59.605 0.164 1
1 301 . 4 1 1 A 30 30 THR HA H 30 4.319 4.895 -0.576 1
1 302 . 4 1 1 A 30 30 THR CB C 30 69.002 71.093 -2.091 1
1 308 . 4 1 1 A 30 30 THR C C 30 172.388 173.464 -1.076 1
1 309 . 4 1 1 A 31 31 ASN N N 31 121.715 122.315 -0.600 1
1 310 . 4 1 1 A 31 31 ASN H H 31 8.702 8.628 0.074 1
1 311 . 4 1 1 A 31 31 ASN CA C 31 52.449 54.541 -2.092 1
1 312 . 4 1 1 A 31 31 ASN HA H 31 4.787 4.787 0.000 1
1 313 . 4 1 1 A 31 31 ASN CB C 31 39.822 39.671 0.151 1
1 319 . 4 1 1 A 31 31 ASN C C 31 174.579 175.115 -0.536 1
1 320 . 4 1 1 A 32 32 ASP N N 32 124.854 119.963 4.891 1
1 321 . 4 1 1 A 32 32 ASP H H 32 8.333 7.149 1.184 1
1 322 . 4 1 1 A 32 32 ASP CA C 32 51.996 52.105 -0.109 1
1 323 . 4 1 1 A 32 32 ASP HA H 32 4.827 4.680 0.147 1
1 324 . 4 1 1 A 32 32 ASP CB C 32 43.075 42.287 0.788 1
1 327 . 4 1 1 A 32 32 ASP C C 32 176.135 176.442 -0.307 1
1 328 . 4 1 1 A 33 33 PRO CA C 33 64.451 64.759 -0.308 1
1 329 . 4 1 1 A 33 33 PRO HA H 33 4.490 4.334 0.156 1
1 330 . 4 1 1 A 33 33 PRO CB C 33 32.425 32.176 0.249 1
1 339 . 4 1 1 A 33 33 PRO C C 33 177.612 178.587 -0.975 1
1 340 . 4 1 1 A 34 34 GLN N N 34 116.032 117.144 -1.112 1
1 341 . 4 1 1 A 34 34 GLN H H 34 8.906 8.561 0.345 1
1 342 . 4 1 1 A 34 34 GLN CA C 34 56.080 59.145 -3.065 1
1 343 . 4 1 1 A 34 34 GLN HA H 34 4.559 4.049 0.510 1
1 344 . 4 1 1 A 34 34 GLN CB C 34 29.488 28.641 0.847 1
1 353 . 4 1 1 A 34 34 GLN C C 34 176.811 176.850 -0.039 1
1 354 . 4 1 1 A 35 35 GLU N N 35 120.585 118.319 2.266 1
1 355 . 4 1 1 A 35 35 GLU H H 35 7.905 7.906 -0.001 1
1 356 . 4 1 1 A 35 35 GLU CA C 35 55.147 57.170 -2.023 1
1 357 . 4 1 1 A 35 35 GLU HA H 35 5.370 4.482 0.888 1
1 358 . 4 1 1 A 35 35 GLU CB C 35 33.394 30.268 3.126 1
1 364 . 4 1 1 A 35 35 GLU C C 35 174.508 175.423 -0.915 1
1 365 . 4 1 1 A 36 36 LEU N N 36 122.127 125.210 -3.083 1
1 366 . 4 1 1 A 36 36 LEU H H 36 7.553 8.788 -1.235 1
1 367 . 4 1 1 A 36 36 LEU CA C 36 53.375 53.436 -0.061 1
1 368 . 4 1 1 A 36 36 LEU HA H 36 4.415 5.132 -0.717 1
1 369 . 4 1 1 A 36 36 LEU CB C 36 45.685 45.355 0.330 1
1 382 . 4 1 1 A 36 36 LEU C C 36 173.533 175.122 -1.589 1
1 383 . 4 1 1 A 37 37 ALA N N 37 124.419 128.284 -3.865 1
1 384 . 4 1 1 A 37 37 ALA H H 37 7.813 8.780 -0.967 1
1 385 . 4 1 1 A 37 37 ALA CA C 37 51.854 50.895 0.959 1
1 386 . 4 1 1 A 37 37 ALA HA H 37 4.581 5.073 -0.492 1
1 387 . 4 1 1 A 37 37 ALA CB C 37 19.371 19.985 -0.614 1
1 391 . 4 1 1 A 37 37 ALA C C 37 177.822 177.318 0.504 1
1 392 . 4 1 1 A 38 38 LEU N N 38 116.787 124.085 -7.298 1
1 393 . 4 1 1 A 38 38 LEU H H 38 8.656 8.872 -0.216 1
1 394 . 4 1 1 A 38 38 LEU CA C 38 52.952 55.287 -2.335 1
1 395 . 4 1 1 A 38 38 LEU HA H 38 5.026 4.200 0.826 1
1 396 . 4 1 1 A 38 38 LEU CB C 38 45.223 42.484 2.739 1
1 409 . 4 1 1 A 38 38 LEU C C 38 177.842 176.398 1.444 1
1 410 . 4 1 1 A 39 39 ARG N N 39 123.462 122.557 0.905 1
1 411 . 4 1 1 A 39 39 ARG H H 39 8.333 8.907 -0.574 1
1 412 . 4 1 1 A 39 39 ARG CA C 39 53.731 54.368 -0.637 1
1 413 . 4 1 1 A 39 39 ARG HA H 39 4.977 5.248 -0.271 1
1 414 . 4 1 1 A 39 39 ARG CB C 39 32.431 33.975 -1.544 1
1 423 . 4 1 1 A 39 39 ARG C C 39 174.595 175.386 -0.791 1
1 424 . 4 1 1 A 40 40 ARG N N 40 123.974 127.934 -3.960 1
1 425 . 4 1 1 A 40 40 ARG H H 40 8.899 9.125 -0.226 1
1 426 . 4 1 1 A 40 40 ARG CA C 40 58.302 58.069 0.233 1
1 427 . 4 1 1 A 40 40 ARG HA H 40 3.350 3.994 -0.644 1
1 428 . 4 1 1 A 40 40 ARG CB C 40 30.480 29.982 0.498 1
1 437 . 4 1 1 A 40 40 ARG C C 40 176.432 177.005 -0.573 1
1 438 . 4 1 1 A 41 41 ASN N N 41 117.655 119.162 -1.507 1
1 439 . 4 1 1 A 41 41 ASN H H 41 9.246 8.563 0.683 1
1 440 . 4 1 1 A 41 41 ASN CA C 41 55.859 54.457 1.402 1
1 441 . 4 1 1 A 41 41 ASN HA H 41 4.227 4.315 -0.088 1
1 442 . 4 1 1 A 41 41 ASN CB C 41 37.555 36.738 0.817 1
1 448 . 4 1 1 A 41 41 ASN C C 41 174.318 173.905 0.413 1
1 449 . 4 1 1 A 42 42 GLU N N 42 122.758 117.137 5.621 1
1 450 . 4 1 1 A 42 42 GLU H H 42 8.419 7.688 0.731 1
1 451 . 4 1 1 A 42 42 GLU CA C 42 56.625 55.238 1.387 1
1 452 . 4 1 1 A 42 42 GLU HA H 42 4.445 4.801 -0.356 1
1 453 . 4 1 1 A 42 42 GLU CB C 42 29.887 33.581 -3.694 1
1 459 . 4 1 1 A 42 42 GLU C C 42 173.885 175.255 -1.370 1
1 460 . 4 1 1 A 43 43 GLU N N 43 119.431 122.237 -2.806 1
1 461 . 4 1 1 A 43 43 GLU H H 43 7.901 8.617 -0.716 1
1 462 . 4 1 1 A 43 43 GLU CA C 43 54.997 55.813 -0.816 1
1 463 . 4 1 1 A 43 43 GLU HA H 43 5.106 5.105 0.001 1
1 464 . 4 1 1 A 43 43 GLU CB C 43 32.392 31.359 1.033 1
1 470 . 4 1 1 A 43 43 GLU C C 43 175.285 175.363 -0.078 1
1 471 . 4 1 1 A 44 44 TYR N N 44 118.011 119.368 -1.357 1
1 472 . 4 1 1 A 44 44 TYR H H 44 9.196 8.877 0.319 1
1 473 . 4 1 1 A 44 44 TYR CA C 44 56.847 56.339 0.508 1
1 474 . 4 1 1 A 44 44 TYR HA H 44 4.708 4.823 -0.115 1
1 475 . 4 1 1 A 44 44 TYR CB C 44 42.218 42.288 -0.070 1
1 486 . 4 1 1 A 44 44 TYR C C 44 173.315 174.395 -1.080 1
1 487 . 4 1 1 A 45 45 CYS N N 45 120.674 124.162 -3.488 1
1 488 . 4 1 1 A 45 45 CYS H H 45 8.803 8.913 -0.110 1
1 489 . 4 1 1 A 45 45 CYS CA C 45 57.318 59.326 -2.008 1
1 490 . 4 1 1 A 45 45 CYS HA H 45 4.425 4.366 0.059 1
1 491 . 4 1 1 A 45 45 CYS CB C 45 27.610 28.296 -0.686 1
1 494 . 4 1 1 A 45 45 CYS C C 45 174.817 174.334 0.483 1
1 495 . 4 1 1 A 46 46 LEU N N 46 129.242 127.618 1.624 1
1 496 . 4 1 1 A 46 46 LEU H H 46 8.803 8.312 0.491 1
1 497 . 4 1 1 A 46 46 LEU CA C 46 55.404 54.905 0.499 1
1 498 . 4 1 1 A 46 46 LEU HA H 46 4.224 4.454 -0.230 1
1 499 . 4 1 1 A 46 46 LEU CB C 46 42.929 41.787 1.142 1
1 512 . 4 1 1 A 46 46 LEU C C 46 174.895 175.994 -1.099 1
1 513 . 4 1 1 A 47 47 LEU N N 47 127.172 128.715 -1.543 1
1 514 . 4 1 1 A 47 47 LEU H H 47 8.780 8.717 0.063 1
1 515 . 4 1 1 A 47 47 LEU CA C 47 55.322 57.344 -2.022 1
1 516 . 4 1 1 A 47 47 LEU HA H 47 4.478 4.119 0.359 1
1 517 . 4 1 1 A 47 47 LEU CB C 47 42.904 42.470 0.434 1
1 530 . 4 1 1 A 47 47 LEU C C 47 177.543 176.360 1.183 1
1 531 . 4 1 1 A 48 48 ASP N N 48 115.262 115.510 -0.248 1
1 532 . 4 1 1 A 48 48 ASP H H 48 7.516 7.607 -0.091 1
1 533 . 4 1 1 A 48 48 ASP CA C 48 54.649 53.635 1.014 1
1 534 . 4 1 1 A 48 48 ASP HA H 48 4.754 4.869 -0.115 1
1 535 . 4 1 1 A 48 48 ASP CB C 48 43.524 44.683 -1.159 1
1 538 . 4 1 1 A 48 48 ASP C C 48 175.044 174.653 0.391 1
1 539 . 4 1 1 A 49 49 SER N N 49 123.571 118.795 4.776 1
1 540 . 4 1 1 A 49 49 SER H H 49 8.911 8.308 0.603 1
1 541 . 4 1 1 A 49 49 SER CA C 49 56.641 56.492 0.149 1
1 542 . 4 1 1 A 49 49 SER HA H 49 4.019 4.438 -0.419 1
1 543 . 4 1 1 A 49 49 SER CB C 49 62.018 62.301 -0.283 1
1 546 . 4 1 1 A 49 49 SER C C 49 173.953 175.425 -1.472 1
1 547 . 4 1 1 A 50 50 SER N N 50 118.555 117.366 1.189 1
1 548 . 4 1 1 A 50 50 SER H H 50 8.528 7.987 0.541 1
1 549 . 4 1 1 A 50 50 SER CA C 50 61.824 61.491 0.333 1
1 550 . 4 1 1 A 50 50 SER HA H 50 4.050 4.099 -0.049 1
1 551 . 4 1 1 A 50 50 SER CB C 50 63.334 63.453 -0.119 1
1 554 . 4 1 1 A 50 50 SER C C 50 175.507 173.928 1.579 1
1 555 . 4 1 1 A 51 51 GLU N N 51 123.653 117.400 6.253 1
1 556 . 4 1 1 A 51 51 GLU H H 51 8.756 8.221 0.535 1
1 557 . 4 1 1 A 51 51 GLU CA C 51 55.391 54.717 0.674 1
1 558 . 4 1 1 A 51 51 GLU HA H 51 4.690 4.828 -0.138 1
1 559 . 4 1 1 A 51 51 GLU CB C 51 30.112 32.600 -2.488 1
1 565 . 4 1 1 A 51 51 GLU C C 51 176.574 176.203 0.371 1
1 566 . 4 1 1 A 52 52 ILE N N 52 117.495 121.194 -3.699 1
1 567 . 4 1 1 A 52 52 ILE H H 52 8.223 8.390 -0.167 1
1 568 . 4 1 1 A 52 52 ILE CA C 52 64.478 62.991 1.487 1
1 569 . 4 1 1 A 52 52 ILE HA H 52 3.946 4.311 -0.365 1
1 570 . 4 1 1 A 52 52 ILE CB C 52 38.365 38.572 -0.207 1
1 583 . 4 1 1 A 52 52 ILE C C 52 178.681 177.325 1.356 1
1 584 . 4 1 1 A 53 53 HIS N N 53 116.338 116.808 -0.470 1
1 585 . 4 1 1 A 53 53 HIS H H 53 8.529 7.566 0.963 1
1 586 . 4 1 1 A 53 53 HIS CA C 53 57.974 58.529 -0.555 1
1 587 . 4 1 1 A 53 53 HIS HA H 53 4.332 3.977 0.355 1
1 588 . 4 1 1 A 53 53 HIS CB C 53 31.646 30.374 1.272 1
1 595 . 4 1 1 A 53 53 HIS C C 53 175.678 174.560 1.118 1
1 596 . 4 1 1 A 54 54 TRP N N 54 120.664 116.490 4.174 1
1 597 . 4 1 1 A 54 54 TRP H H 54 7.298 7.898 -0.600 1
1 598 . 4 1 1 A 54 54 TRP CA C 54 55.972 55.376 0.596 1
1 599 . 4 1 1 A 54 54 TRP HA H 54 5.142 5.462 -0.320 1
1 600 . 4 1 1 A 54 54 TRP CB C 54 31.957 31.636 0.321 1
1 615 . 4 1 1 A 54 54 TRP C C 54 174.289 175.722 -1.433 1
1 616 . 4 1 1 A 55 55 TRP N N 55 124.636 123.814 0.822 1
1 617 . 4 1 1 A 55 55 TRP H H 55 9.260 9.377 -0.117 1
1 618 . 4 1 1 A 55 55 TRP CA C 55 53.365 55.851 -2.486 1
1 619 . 4 1 1 A 55 55 TRP HA H 55 5.503 5.466 0.037 1
1 620 . 4 1 1 A 55 55 TRP CB C 55 32.591 32.487 0.104 1
1 635 . 4 1 1 A 55 55 TRP C C 55 174.620 175.204 -0.584 1
1 636 . 4 1 1 A 56 56 ARG N N 56 122.963 124.152 -1.189 1
1 637 . 4 1 1 A 56 56 ARG H H 56 8.876 8.881 -0.005 1
1 638 . 4 1 1 A 56 56 ARG CA C 56 55.250 55.187 0.063 1
1 639 . 4 1 1 A 56 56 ARG HA H 56 4.716 5.080 -0.364 1
1 640 . 4 1 1 A 56 56 ARG CB C 56 32.705 31.781 0.924 1
1 651 . 4 1 1 A 56 56 ARG C C 56 175.777 175.750 0.027 1
1 652 . 4 1 1 A 57 57 VAL N N 57 119.683 119.941 -0.258 1
1 653 . 4 1 1 A 57 57 VAL H H 57 8.784 8.522 0.262 1
1 654 . 4 1 1 A 57 57 VAL CA C 57 58.632 58.759 -0.127 1
1 655 . 4 1 1 A 57 57 VAL HA H 57 5.356 5.198 0.158 1
1 656 . 4 1 1 A 57 57 VAL CB C 57 36.354 36.190 0.164 1
1 666 . 4 1 1 A 57 57 VAL C C 57 172.758 173.574 -0.816 1
1 667 . 4 1 1 A 58 58 GLN N N 58 118.904 120.671 -1.767 1
1 668 . 4 1 1 A 58 58 GLN H H 58 8.911 8.483 0.428 1
1 669 . 4 1 1 A 58 58 GLN CA C 58 53.324 54.152 -0.828 1
1 670 . 4 1 1 A 58 58 GLN HA H 58 5.677 5.406 0.271 1
1 671 . 4 1 1 A 58 58 GLN CB C 58 35.149 32.466 2.683 1
1 680 . 4 1 1 A 58 58 GLN C C 58 175.711 174.104 1.607 1
1 681 . 4 1 1 A 59 59 ASP N N 59 125.232 125.863 -0.631 1
1 682 . 4 1 1 A 59 59 ASP H H 59 9.274 9.248 0.026 1
1 683 . 4 1 1 A 59 59 ASP CA C 59 52.577 53.702 -1.125 1
1 684 . 4 1 1 A 59 59 ASP HA H 59 5.257 4.785 0.472 1
1 685 . 4 1 1 A 59 59 ASP CB C 59 43.563 42.007 1.556 1
1 688 . 4 1 1 A 59 59 ASP C C 59 178.615 177.081 1.534 1
1 689 . 4 1 1 A 60 60 ARG N N 60 117.439 125.793 -8.354 1
1 690 . 4 1 1 A 60 60 ARG H H 60 9.177 8.836 0.341 1
1 691 . 4 1 1 A 60 60 ARG CA C 60 57.908 59.299 -1.391 1
1 692 . 4 1 1 A 60 60 ARG HA H 60 3.987 3.892 0.095 1
1 693 . 4 1 1 A 60 60 ARG CB C 60 29.590 29.705 -0.115 1
1 702 . 4 1 1 A 60 60 ARG C C 60 176.395 177.788 -1.393 1
1 703 . 4 1 1 A 61 61 ASN N N 61 117.081 114.331 2.750 1
1 704 . 4 1 1 A 61 61 ASN H H 61 8.294 7.743 0.551 1
1 705 . 4 1 1 A 61 61 ASN CA C 61 53.024 54.484 -1.460 1
1 706 . 4 1 1 A 61 61 ASN HA H 61 4.852 4.434 0.418 1
1 707 . 4 1 1 A 61 61 ASN CB C 61 39.662 38.716 0.946 1
1 713 . 4 1 1 A 61 61 ASN C C 61 175.197 175.365 -0.168 1
1 714 . 4 1 1 A 62 62 GLY N N 62 107.804 106.017 1.787 1
1 715 . 4 1 1 A 62 62 GLY H H 62 8.195 7.443 0.752 1
1 716 . 4 1 1 A 62 62 GLY CA C 62 45.423 45.055 0.368 1
1 717 . 4 1 1 A 62 62 GLY HA2 H 62 3.551 4.075 -0.524 1
1 718 . 4 1 1 A 62 62 GLY HA3 H 62 4.225 4.095 0.130 1
1 719 . 4 1 1 A 62 62 GLY C C 62 174.475 174.441 0.034 1
1 720 . 4 1 1 A 63 63 HIS N N 63 122.780 118.064 4.716 1
1 721 . 4 1 1 A 63 63 HIS H H 63 8.615 7.807 0.808 1
1 722 . 4 1 1 A 63 63 HIS CA C 63 55.653 55.303 0.350 1
1 723 . 4 1 1 A 63 63 HIS HA H 63 4.784 4.889 -0.105 1
1 724 . 4 1 1 A 63 63 HIS CB C 63 29.357 31.666 -2.309 1
1 731 . 4 1 1 A 63 63 HIS C C 63 173.926 175.047 -1.121 1
1 732 . 4 1 1 A 64 64 GLU N N 64 119.741 121.396 -1.655 1
1 733 . 4 1 1 A 64 64 GLU H H 64 8.681 8.922 -0.241 1
1 734 . 4 1 1 A 64 64 GLU CA C 64 53.989 54.463 -0.474 1
1 735 . 4 1 1 A 64 64 GLU HA H 64 5.835 5.564 0.271 1
1 736 . 4 1 1 A 64 64 GLU CB C 64 34.417 33.561 0.856 1
1 742 . 4 1 1 A 64 64 GLU C C 64 176.358 175.291 1.067 1
1 743 . 4 1 1 A 65 65 GLY N N 65 105.646 106.375 -0.729 1
1 744 . 4 1 1 A 65 65 GLY H H 65 8.399 7.930 0.469 1
1 745 . 4 1 1 A 65 65 GLY CA C 65 45.368 45.639 -0.271 1
1 746 . 4 1 1 A 65 65 GLY HA2 H 65 3.959 3.987 -0.028 1
1 747 . 4 1 1 A 65 65 GLY HA3 H 65 3.835 4.138 -0.303 1
1 748 . 4 1 1 A 65 65 GLY C C 65 170.819 171.044 -0.225 1
1 749 . 4 1 1 A 66 66 TYR N N 66 119.001 120.409 -1.408 1
1 750 . 4 1 1 A 66 66 TYR H H 66 8.863 7.968 0.895 1
1 751 . 4 1 1 A 66 66 TYR CA C 66 59.140 58.052 1.088 1
1 752 . 4 1 1 A 66 66 TYR HA H 66 5.317 5.233 0.084 1
1 753 . 4 1 1 A 66 66 TYR CB C 66 40.974 39.546 1.428 1
1 764 . 4 1 1 A 66 66 TYR C C 66 176.158 176.247 -0.089 1
1 765 . 4 1 1 A 67 67 VAL N N 67 112.145 118.373 -6.228 1
1 766 . 4 1 1 A 67 67 VAL H H 67 9.180 8.644 0.536 1
1 767 . 4 1 1 A 67 67 VAL CA C 67 57.686 58.246 -0.560 1
1 768 . 4 1 1 A 67 67 VAL HA H 67 4.803 5.044 -0.241 1
1 769 . 4 1 1 A 67 67 VAL CB C 67 33.564 33.645 -0.081 1
1 779 . 4 1 1 A 67 67 VAL C C 67 172.139 173.521 -1.382 1
1 780 . 4 1 1 A 68 68 PRO CA C 68 61.422 62.432 -1.010 1
1 781 . 4 1 1 A 68 68 PRO HA H 68 3.745 4.564 -0.819 1
1 782 . 4 1 1 A 68 68 PRO CB C 68 30.557 31.227 -0.670 1
1 791 . 4 1 1 A 68 68 PRO C C 68 178.674 177.271 1.403 1
1 792 . 4 1 1 A 69 69 SER N N 69 122.331 121.557 0.774 1
1 793 . 4 1 1 A 69 69 SER H H 69 7.791 8.699 -0.908 1
1 794 . 4 1 1 A 69 69 SER CA C 69 60.162 61.149 -0.987 1
1 795 . 4 1 1 A 69 69 SER HA H 69 2.790 3.829 -1.039 1
1 796 . 4 1 1 A 69 69 SER CB C 69 60.021 61.905 -1.884 1
1 799 . 4 1 1 A 69 69 SER C C 69 176.238 176.144 0.094 1
1 800 . 4 1 1 A 70 70 SER N N 70 114.849 116.531 -1.682 1
1 801 . 4 1 1 A 70 70 SER H H 70 7.812 7.880 -0.068 1
1 802 . 4 1 1 A 70 70 SER CA C 70 59.590 62.279 -2.689 1
1 803 . 4 1 1 A 70 70 SER HA H 70 4.095 3.979 0.116 1
1 804 . 4 1 1 A 70 70 SER CB C 70 62.885 62.511 0.374 1
1 807 . 4 1 1 A 70 70 SER C C 70 175.286 176.605 -1.319 1
1 808 . 4 1 1 A 71 71 TYR N N 71 122.244 119.257 2.987 1
1 809 . 4 1 1 A 71 71 TYR H H 71 7.593 8.056 -0.463 1
1 810 . 4 1 1 A 71 71 TYR CA C 71 58.102 60.241 -2.139 1
1 811 . 4 1 1 A 71 71 TYR HA H 71 4.496 4.467 0.029 1
1 812 . 4 1 1 A 71 71 TYR CB C 71 37.631 38.592 -0.961 1
1 823 . 4 1 1 A 71 71 TYR C C 71 174.002 176.526 -2.524 1
1 824 . 4 1 1 A 72 72 LEU N N 72 119.079 118.834 0.245 1
1 825 . 4 1 1 A 72 72 LEU H H 72 7.270 7.631 -0.361 1
1 826 . 4 1 1 A 72 72 LEU CA C 72 53.625 55.123 -1.498 1
1 827 . 4 1 1 A 72 72 LEU HA H 72 5.388 4.648 0.740 1
1 828 . 4 1 1 A 72 72 LEU CB C 72 46.623 42.494 4.129 1
1 841 . 4 1 1 A 72 72 LEU C C 72 175.893 176.439 -0.546 1
1 842 . 4 1 1 A 73 73 VAL N N 73 116.343 118.141 -1.798 1
1 843 . 4 1 1 A 73 73 VAL H H 73 8.610 8.808 -0.198 1
1 844 . 4 1 1 A 73 73 VAL CA C 73 59.707 59.054 0.653 1
1 845 . 4 1 1 A 73 73 VAL HA H 73 4.601 4.841 -0.240 1
1 846 . 4 1 1 A 73 73 VAL CB C 73 35.811 35.607 0.204 1
1 856 . 4 1 1 A 73 73 VAL C C 73 174.186 174.364 -0.178 1
1 857 . 4 1 1 A 74 74 GLU N N 74 124.925 125.143 -0.218 1
1 858 . 4 1 1 A 74 74 GLU H H 74 8.845 8.517 0.328 1
1 859 . 4 1 1 A 74 74 GLU CA C 74 57.745 56.869 0.876 1
1 860 . 4 1 1 A 74 74 GLU HA H 74 4.363 4.476 -0.113 1
1 861 . 4 1 1 A 74 74 GLU CB C 74 30.164 30.263 -0.099 1
1 867 . 4 1 1 A 74 74 GLU C C 74 176.322 176.361 -0.039 1
1 868 . 4 1 1 A 75 75 LYS N N 75 125.959 129.394 -3.435 1
1 869 . 4 1 1 A 75 75 LYS H H 75 8.556 7.829 0.727 1
1 870 . 4 1 1 A 75 75 LYS CA C 75 57.115 57.258 -0.143 1
1 871 . 4 1 1 A 75 75 LYS HA H 75 4.157 4.153 0.004 1
1 872 . 4 1 1 A 75 75 LYS CB C 75 33.626 32.830 0.796 1
1 884 . 4 1 1 A 75 75 LYS C C 75 175.944 176.356 -0.412 1
1 885 . 4 1 1 A 76 76 SER N N 76 121.519 121.346 0.173 1
1 886 . 4 1 1 A 76 76 SER H H 76 8.576 8.616 -0.040 1
1 887 . 4 1 1 A 76 76 SER CA C 76 56.205 56.423 -0.218 1
1 888 . 4 1 1 A 76 76 SER HA H 76 4.809 4.359 0.450 1
1 889 . 4 1 1 A 76 76 SER CB C 76 63.582 63.167 0.415 1
1 891 . 4 1 1 A 76 76 SER C C 76 172.875 174.780 -1.905 1
1 892 . 4 1 1 A 77 77 PRO CA C 77 63.453 63.758 -0.305 1
1 893 . 4 1 1 A 77 77 PRO HA H 77 4.434 4.607 -0.173 1
1 894 . 4 1 1 A 77 77 PRO CB C 77 32.104 31.971 0.133 1
1 903 . 4 1 1 A 77 77 PRO C C 77 176.734 176.405 0.329 1
1 904 . 4 1 1 A 78 78 ASN N N 78 118.087 118.755 -0.668 1
1 905 . 4 1 1 A 78 78 ASN H H 78 8.434 7.865 0.569 1
1 906 . 4 1 1 A 78 78 ASN CA C 78 53.314 53.629 -0.315 1
1 907 . 4 1 1 A 78 78 ASN HA H 78 4.653 4.541 0.112 1
1 908 . 4 1 1 A 78 78 ASN CB C 78 38.823 39.253 -0.430 1
1 914 . 4 1 1 A 78 78 ASN C C 78 174.985 175.650 -0.665 1
1 915 . 4 1 1 A 79 79 ASN N N 79 119.198 121.516 -2.318 1
1 916 . 4 1 1 A 79 79 ASN H H 79 8.312 8.825 -0.513 1
1 917 . 4 1 1 A 79 79 ASN CA C 79 53.379 53.244 0.135 1
1 918 . 4 1 1 A 79 79 ASN HA H 79 4.696 4.951 -0.255 1
1 919 . 4 1 1 A 79 79 ASN CB C 79 38.827 39.951 -1.124 1
1 925 . 4 1 1 A 79 79 ASN C C 79 175.132 176.280 -1.148 1
1 926 . 4 1 1 A 80 80 LEU N N 80 122.154 118.481 3.673 1
1 927 . 4 1 1 A 80 80 LEU H H 80 8.195 8.495 -0.300 1
1 928 . 4 1 1 A 80 80 LEU CA C 80 55.523 54.320 1.203 1
1 929 . 4 1 1 A 80 80 LEU HA H 80 4.305 4.728 -0.423 1
1 930 . 4 1 1 A 80 80 LEU CB C 80 42.304 42.452 -0.148 1
1 943 . 4 1 1 A 80 80 LEU C C 80 177.461 176.988 0.473 1
1 944 . 4 1 1 A 81 81 GLU N N 81 121.156 121.848 -0.692 1
1 945 . 4 1 1 A 81 81 GLU H H 81 8.341 7.695 0.646 1
1 946 . 4 1 1 A 81 81 GLU CA C 81 56.665 56.498 0.167 1
1 947 . 4 1 1 A 81 81 GLU HA H 81 4.253 4.284 -0.031 1
1 948 . 4 1 1 A 81 81 GLU CB C 81 30.219 29.586 0.633 1
1 954 . 4 1 1 A 81 81 GLU C C 81 176.365 175.754 0.611 1
1 955 . 4 1 1 A 82 82 THR N N 82 114.319 117.026 -2.707 1
1 956 . 4 1 1 A 82 82 THR H H 82 7.970 8.236 -0.266 1
1 957 . 4 1 1 A 82 82 THR CA C 82 61.517 60.141 1.376 1
1 958 . 4 1 1 A 82 82 THR HA H 82 4.211 4.772 -0.561 1
1 959 . 4 1 1 A 82 82 THR CB C 82 69.881 71.112 -1.231 1
1 965 . 4 1 1 A 82 82 THR C C 82 173.812 173.673 0.139 1
1 966 . 4 1 1 A 83 83 TYR N N 83 122.614 117.787 4.827 1
1 967 . 4 1 1 A 83 83 TYR H H 83 8.076 8.262 -0.186 1
1 968 . 4 1 1 A 83 83 TYR CA C 83 57.640 58.596 -0.956 1
1 969 . 4 1 1 A 83 83 TYR HA H 83 4.444 3.927 0.517 1
1 970 . 4 1 1 A 83 83 TYR CB C 83 38.964 35.472 3.492 1
1 981 . 4 1 1 A 83 83 TYR C C 83 175.115 174.033 1.082 1
1 982 . 4 1 1 A 84 84 GLU N N 84 122.790 118.688 4.102 1
1 983 . 4 1 1 A 84 84 GLU H H 84 7.995 7.570 0.425 1
1 984 . 4 1 1 A 84 84 GLU CA C 84 56.097 54.484 1.613 1
1 985 . 4 1 1 A 84 84 GLU HA H 84 4.227 4.577 -0.350 1
1 986 . 4 1 1 A 84 84 GLU CB C 84 30.506 29.251 1.255 1
1 992 . 4 1 1 A 84 84 GLU C C 84 174.707 174.810 -0.103 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.365 44.812 0.553 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.970 4.142 -0.172 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.824 4.142 -0.318 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.351 174.968 -0.617 1
1 5 . 5 1 1 A 8 8 GLU N N 8 120.458 122.255 -1.797 1
1 6 . 5 1 1 A 8 8 GLU H H 8 8.288 8.886 -0.598 1
1 7 . 5 1 1 A 8 8 GLU CA C 8 56.663 59.276 -2.613 1
1 8 . 5 1 1 A 8 8 GLU HA H 8 4.254 4.078 0.176 1
1 9 . 5 1 1 A 8 8 GLU CB C 8 30.248 30.102 0.146 1
1 15 . 5 1 1 A 8 8 GLU C C 8 176.364 176.517 -0.153 1
1 16 . 5 1 1 A 9 9 ASP N N 9 120.849 117.664 3.185 1
1 17 . 5 1 1 A 9 9 ASP H H 9 8.379 7.892 0.487 1
1 18 . 5 1 1 A 9 9 ASP CA C 9 54.402 52.977 1.425 1
1 19 . 5 1 1 A 9 9 ASP HA H 9 4.543 5.087 -0.544 1
1 20 . 5 1 1 A 9 9 ASP CB C 9 41.035 45.251 -4.216 1
1 23 . 5 1 1 A 9 9 ASP C C 9 176.003 173.971 2.032 1
1 24 . 5 1 1 A 10 10 ASN N N 10 119.270 118.966 0.304 1
1 25 . 5 1 1 A 10 10 ASN H H 10 8.303 8.805 -0.502 1
1 26 . 5 1 1 A 10 10 ASN CA C 10 53.233 51.911 1.322 1
1 27 . 5 1 1 A 10 10 ASN HA H 10 4.654 5.386 -0.732 1
1 28 . 5 1 1 A 10 10 ASN CB C 10 38.832 42.134 -3.302 1
1 34 . 5 1 1 A 10 10 ASN C C 10 175.079 174.210 0.869 1
1 35 . 5 1 1 A 11 11 ARG N N 11 120.795 119.442 1.353 1
1 36 . 5 1 1 A 11 11 ARG H H 11 8.132 8.548 -0.416 1
1 37 . 5 1 1 A 11 11 ARG CA C 11 56.092 54.365 1.727 1
1 38 . 5 1 1 A 11 11 ARG HA H 11 4.257 5.223 -0.966 1
1 39 . 5 1 1 A 11 11 ARG CB C 11 30.721 32.862 -2.141 1
1 48 . 5 1 1 A 11 11 ARG C C 11 176.045 174.862 1.183 1
1 49 . 5 1 1 A 12 12 ARG N N 12 123.167 123.306 -0.139 1
1 50 . 5 1 1 A 12 12 ARG H H 12 8.222 8.625 -0.403 1
1 51 . 5 1 1 A 12 12 ARG CA C 12 53.918 52.665 1.253 1
1 52 . 5 1 1 A 12 12 ARG HA H 12 4.506 4.817 -0.311 1
1 53 . 5 1 1 A 12 12 ARG CB C 12 29.923 32.408 -2.485 1
1 62 . 5 1 1 A 12 12 ARG C C 12 174.073 173.825 0.248 1
1 63 . 5 1 1 A 13 13 PRO CA C 13 62.815 62.419 0.396 1
1 64 . 5 1 1 A 13 13 PRO HA H 13 4.255 4.737 -0.482 1
1 65 . 5 1 1 A 13 13 PRO CB C 13 31.903 33.569 -1.666 1
1 74 . 5 1 1 A 13 13 PRO C C 13 176.315 176.012 0.303 1
1 75 . 5 1 1 A 14 14 LEU N N 14 122.009 117.206 4.803 1
1 76 . 5 1 1 A 14 14 LEU H H 14 8.090 8.267 -0.177 1
1 77 . 5 1 1 A 14 14 LEU CA C 14 55.286 55.157 0.129 1
1 78 . 5 1 1 A 14 14 LEU HA H 14 4.065 4.525 -0.460 1
1 79 . 5 1 1 A 14 14 LEU CB C 14 42.258 43.186 -0.928 1
1 92 . 5 1 1 A 14 14 LEU C C 14 176.610 178.057 -1.447 1
1 93 . 5 1 1 A 15 15 TRP N N 15 120.219 119.289 0.930 1
1 94 . 5 1 1 A 15 15 TRP H H 15 7.582 7.982 -0.400 1
1 95 . 5 1 1 A 15 15 TRP CA C 15 56.114 58.579 -2.465 1
1 96 . 5 1 1 A 15 15 TRP HA H 15 4.803 4.716 0.087 1
1 97 . 5 1 1 A 15 15 TRP CB C 15 29.845 31.008 -1.163 1
1 112 . 5 1 1 A 15 15 TRP C C 15 176.093 176.124 -0.031 1
1 113 . 5 1 1 A 16 16 GLU N N 16 124.270 117.759 6.511 1
1 114 . 5 1 1 A 16 16 GLU H H 16 8.901 8.104 0.797 1
1 115 . 5 1 1 A 16 16 GLU CA C 16 54.729 53.338 1.391 1
1 116 . 5 1 1 A 16 16 GLU HA H 16 4.471 4.863 -0.392 1
1 117 . 5 1 1 A 16 16 GLU CB C 16 29.173 33.053 -3.880 1
1 123 . 5 1 1 A 16 16 GLU C C 16 175.525 176.121 -0.596 1
1 124 . 5 1 1 A 17 17 PRO CA C 17 64.535 65.350 -0.815 1
1 125 . 5 1 1 A 17 17 PRO HA H 17 4.306 4.337 -0.031 1
1 126 . 5 1 1 A 17 17 PRO CB C 17 32.105 31.968 0.137 1
1 135 . 5 1 1 A 17 17 PRO C C 17 177.261 177.668 -0.407 1
1 136 . 5 1 1 A 18 18 GLU N N 18 116.089 115.584 0.505 1
1 137 . 5 1 1 A 18 18 GLU H H 18 8.459 8.623 -0.164 1
1 138 . 5 1 1 A 18 18 GLU CA C 18 57.215 56.289 0.926 1
1 139 . 5 1 1 A 18 18 GLU HA H 18 4.203 4.356 -0.153 1
1 140 . 5 1 1 A 18 18 GLU CB C 18 29.321 29.152 0.169 1
1 146 . 5 1 1 A 18 18 GLU C C 18 176.941 175.569 1.372 1
1 147 . 5 1 1 A 19 19 GLU N N 19 120.173 120.103 0.070 1
1 148 . 5 1 1 A 19 19 GLU H H 19 7.861 7.779 0.082 1
1 149 . 5 1 1 A 19 19 GLU CA C 19 56.170 54.514 1.656 1
1 150 . 5 1 1 A 19 19 GLU HA H 19 4.257 4.832 -0.575 1
1 151 . 5 1 1 A 19 19 GLU CB C 19 30.012 33.969 -3.957 1
1 157 . 5 1 1 A 19 19 GLU C C 19 176.182 175.272 0.910 1
1 158 . 5 1 1 A 20 20 THR N N 20 120.847 118.865 1.982 1
1 159 . 5 1 1 A 20 20 THR H H 20 9.010 8.687 0.323 1
1 160 . 5 1 1 A 20 20 THR CA C 20 63.200 62.147 1.053 1
1 161 . 5 1 1 A 20 20 THR HA H 20 4.188 4.817 -0.629 1
1 162 . 5 1 1 A 20 20 THR CB C 20 69.394 69.088 0.306 1
1 168 . 5 1 1 A 20 20 THR C C 20 172.501 173.932 -1.431 1
1 169 . 5 1 1 A 21 21 VAL N N 21 128.753 128.458 0.295 1
1 170 . 5 1 1 A 21 21 VAL H H 21 8.497 8.843 -0.346 1
1 171 . 5 1 1 A 21 21 VAL CA C 21 61.422 61.794 -0.372 1
1 172 . 5 1 1 A 21 21 VAL HA H 21 4.546 4.382 0.164 1
1 173 . 5 1 1 A 21 21 VAL CB C 21 33.236 32.289 0.947 1
1 183 . 5 1 1 A 21 21 VAL C C 21 175.700 175.944 -0.244 1
1 184 . 5 1 1 A 22 22 VAL N N 22 119.061 121.528 -2.467 1
1 185 . 5 1 1 A 22 22 VAL H H 22 9.159 8.944 0.215 1
1 186 . 5 1 1 A 22 22 VAL CA C 22 57.799 58.910 -1.111 1
1 187 . 5 1 1 A 22 22 VAL HA H 22 5.187 5.273 -0.086 1
1 188 . 5 1 1 A 22 22 VAL CB C 22 35.307 35.518 -0.211 1
1 198 . 5 1 1 A 22 22 VAL C C 22 173.461 174.346 -0.885 1
1 199 . 5 1 1 A 23 23 ILE N N 23 120.660 123.050 -2.390 1
1 200 . 5 1 1 A 23 23 ILE H H 23 9.354 9.031 0.323 1
1 201 . 5 1 1 A 23 23 ILE CA C 23 58.793 59.425 -0.632 1
1 202 . 5 1 1 A 23 23 ILE HA H 23 5.082 4.882 0.200 1
1 203 . 5 1 1 A 23 23 ILE CB C 23 41.289 41.678 -0.389 1
1 216 . 5 1 1 A 23 23 ILE C C 23 176.270 174.637 1.633 1
1 217 . 5 1 1 A 24 24 ALA N N 24 125.421 128.296 -2.875 1
1 218 . 5 1 1 A 24 24 ALA H H 24 8.184 8.435 -0.251 1
1 219 . 5 1 1 A 24 24 ALA CA C 24 51.461 51.524 -0.063 1
1 220 . 5 1 1 A 24 24 ALA HA H 24 4.982 4.869 0.113 1
1 221 . 5 1 1 A 24 24 ALA CB C 24 20.231 19.568 0.663 1
1 225 . 5 1 1 A 24 24 ALA C C 24 178.664 178.045 0.619 1
1 226 . 5 1 1 A 25 25 LEU N N 25 126.185 125.400 0.785 1
1 227 . 5 1 1 A 25 25 LEU H H 25 9.388 8.726 0.662 1
1 228 . 5 1 1 A 25 25 LEU CA C 25 55.799 56.944 -1.145 1
1 229 . 5 1 1 A 25 25 LEU HA H 25 3.875 3.910 -0.035 1
1 230 . 5 1 1 A 25 25 LEU CB C 25 43.786 41.829 1.957 1
1 243 . 5 1 1 A 25 25 LEU C C 25 175.686 176.385 -0.699 1
1 244 . 5 1 1 A 26 26 TYR N N 26 110.488 115.125 -4.637 1
1 245 . 5 1 1 A 26 26 TYR H H 26 6.878 7.699 -0.821 1
1 246 . 5 1 1 A 26 26 TYR CA C 26 53.575 56.770 -3.195 1
1 247 . 5 1 1 A 26 26 TYR HA H 26 4.744 5.117 -0.373 1
1 248 . 5 1 1 A 26 26 TYR CB C 26 42.393 41.761 0.632 1
1 259 . 5 1 1 A 26 26 TYR C C 26 173.800 174.576 -0.776 1
1 260 . 5 1 1 A 27 27 ASP N N 27 117.327 122.042 -4.715 1
1 261 . 5 1 1 A 27 27 ASP H H 27 8.278 8.788 -0.510 1
1 262 . 5 1 1 A 27 27 ASP CA C 27 54.522 52.973 1.549 1
1 263 . 5 1 1 A 27 27 ASP HA H 27 4.639 4.959 -0.320 1
1 264 . 5 1 1 A 27 27 ASP CB C 27 41.944 41.187 0.757 1
1 267 . 5 1 1 A 27 27 ASP C C 27 176.000 174.994 1.006 1
1 268 . 5 1 1 A 28 28 TYR N N 28 121.747 128.765 -7.018 1
1 269 . 5 1 1 A 28 28 TYR H H 28 8.724 9.219 -0.495 1
1 270 . 5 1 1 A 28 28 TYR CA C 28 57.938 59.194 -1.256 1
1 271 . 5 1 1 A 28 28 TYR HA H 28 4.934 4.775 0.159 1
1 272 . 5 1 1 A 28 28 TYR CB C 28 42.161 39.254 2.907 1
1 283 . 5 1 1 A 28 28 TYR C C 28 173.834 174.376 -0.542 1
1 284 . 5 1 1 A 29 29 GLN N N 29 126.180 125.473 0.707 1
1 285 . 5 1 1 A 29 29 GLN H H 29 7.959 8.220 -0.261 1
1 286 . 5 1 1 A 29 29 GLN CA C 29 54.153 54.136 0.017 1
1 287 . 5 1 1 A 29 29 GLN HA H 29 4.507 5.053 -0.546 1
1 288 . 5 1 1 A 29 29 GLN CB C 29 29.854 31.672 -1.818 1
1 297 . 5 1 1 A 29 29 GLN C C 29 173.966 174.402 -0.436 1
1 298 . 5 1 1 A 30 30 THR N N 30 115.009 115.749 -0.740 1
1 299 . 5 1 1 A 30 30 THR H H 30 7.982 8.473 -0.491 1
1 300 . 5 1 1 A 30 30 THR CA C 30 59.769 59.839 -0.070 1
1 301 . 5 1 1 A 30 30 THR HA H 30 4.319 4.866 -0.547 1
1 302 . 5 1 1 A 30 30 THR CB C 30 69.002 71.381 -2.379 1
1 308 . 5 1 1 A 30 30 THR C C 30 172.388 172.981 -0.593 1
1 309 . 5 1 1 A 31 31 ASN N N 31 121.715 123.064 -1.349 1
1 310 . 5 1 1 A 31 31 ASN H H 31 8.702 8.772 -0.070 1
1 311 . 5 1 1 A 31 31 ASN CA C 31 52.449 52.749 -0.300 1
1 312 . 5 1 1 A 31 31 ASN HA H 31 4.787 5.047 -0.260 1
1 313 . 5 1 1 A 31 31 ASN CB C 31 39.822 39.080 0.742 1
1 319 . 5 1 1 A 31 31 ASN C C 31 174.579 172.909 1.670 1
1 320 . 5 1 1 A 32 32 ASP N N 32 124.854 118.445 6.409 1
1 321 . 5 1 1 A 32 32 ASP H H 32 8.333 7.503 0.830 1
1 322 . 5 1 1 A 32 32 ASP CA C 32 51.996 50.540 1.456 1
1 323 . 5 1 1 A 32 32 ASP HA H 32 4.827 5.069 -0.242 1
1 324 . 5 1 1 A 32 32 ASP CB C 32 43.075 42.459 0.616 1
1 327 . 5 1 1 A 32 32 ASP C C 32 176.135 176.036 0.099 1
1 328 . 5 1 1 A 33 33 PRO CA C 33 64.451 64.617 -0.166 1
1 329 . 5 1 1 A 33 33 PRO HA H 33 4.490 4.360 0.130 1
1 330 . 5 1 1 A 33 33 PRO CB C 33 32.425 32.002 0.423 1
1 339 . 5 1 1 A 33 33 PRO C C 33 177.612 177.968 -0.356 1
1 340 . 5 1 1 A 34 34 GLN N N 34 116.032 117.566 -1.534 1
1 341 . 5 1 1 A 34 34 GLN H H 34 8.906 8.757 0.149 1
1 342 . 5 1 1 A 34 34 GLN CA C 34 56.080 57.960 -1.880 1
1 343 . 5 1 1 A 34 34 GLN HA H 34 4.559 4.042 0.517 1
1 344 . 5 1 1 A 34 34 GLN CB C 34 29.488 29.062 0.426 1
1 353 . 5 1 1 A 34 34 GLN C C 34 176.811 176.039 0.772 1
1 354 . 5 1 1 A 35 35 GLU N N 35 120.585 117.411 3.174 1
1 355 . 5 1 1 A 35 35 GLU H H 35 7.905 7.831 0.074 1
1 356 . 5 1 1 A 35 35 GLU CA C 35 55.147 54.686 0.461 1
1 357 . 5 1 1 A 35 35 GLU HA H 35 5.370 4.825 0.545 1
1 358 . 5 1 1 A 35 35 GLU CB C 35 33.394 31.945 1.449 1
1 364 . 5 1 1 A 35 35 GLU C C 35 174.508 174.925 -0.417 1
1 365 . 5 1 1 A 36 36 LEU N N 36 122.127 123.894 -1.767 1
1 366 . 5 1 1 A 36 36 LEU H H 36 7.553 8.873 -1.320 1
1 367 . 5 1 1 A 36 36 LEU CA C 36 53.375 53.342 0.033 1
1 368 . 5 1 1 A 36 36 LEU HA H 36 4.415 5.110 -0.695 1
1 369 . 5 1 1 A 36 36 LEU CB C 36 45.685 46.679 -0.994 1
1 382 . 5 1 1 A 36 36 LEU C C 36 173.533 174.228 -0.695 1
1 383 . 5 1 1 A 37 37 ALA N N 37 124.419 128.058 -3.639 1
1 384 . 5 1 1 A 37 37 ALA H H 37 7.813 8.668 -0.855 1
1 385 . 5 1 1 A 37 37 ALA CA C 37 51.854 50.648 1.206 1
1 386 . 5 1 1 A 37 37 ALA HA H 37 4.581 4.891 -0.310 1
1 387 . 5 1 1 A 37 37 ALA CB C 37 19.371 20.190 -0.819 1
1 391 . 5 1 1 A 37 37 ALA C C 37 177.822 177.435 0.387 1
1 392 . 5 1 1 A 38 38 LEU N N 38 116.787 123.652 -6.865 1
1 393 . 5 1 1 A 38 38 LEU H H 38 8.656 8.934 -0.278 1
1 394 . 5 1 1 A 38 38 LEU CA C 38 52.952 54.504 -1.552 1
1 395 . 5 1 1 A 38 38 LEU HA H 38 5.026 4.526 0.500 1
1 396 . 5 1 1 A 38 38 LEU CB C 38 45.223 42.352 2.871 1
1 409 . 5 1 1 A 38 38 LEU C C 38 177.842 176.480 1.362 1
1 410 . 5 1 1 A 39 39 ARG N N 39 123.462 121.566 1.896 1
1 411 . 5 1 1 A 39 39 ARG H H 39 8.333 8.853 -0.520 1
1 412 . 5 1 1 A 39 39 ARG CA C 39 53.731 54.186 -0.455 1
1 413 . 5 1 1 A 39 39 ARG HA H 39 4.977 5.310 -0.333 1
1 414 . 5 1 1 A 39 39 ARG CB C 39 32.431 34.183 -1.752 1
1 423 . 5 1 1 A 39 39 ARG C C 39 174.595 174.917 -0.322 1
1 424 . 5 1 1 A 40 40 ARG N N 40 123.974 126.688 -2.714 1
1 425 . 5 1 1 A 40 40 ARG H H 40 8.899 8.616 0.283 1
1 426 . 5 1 1 A 40 40 ARG CA C 40 58.302 57.458 0.844 1
1 427 . 5 1 1 A 40 40 ARG HA H 40 3.350 3.996 -0.646 1
1 428 . 5 1 1 A 40 40 ARG CB C 40 30.480 30.230 0.250 1
1 437 . 5 1 1 A 40 40 ARG C C 40 176.432 176.993 -0.561 1
1 438 . 5 1 1 A 41 41 ASN N N 41 117.655 119.174 -1.519 1
1 439 . 5 1 1 A 41 41 ASN H H 41 9.246 8.592 0.654 1
1 440 . 5 1 1 A 41 41 ASN CA C 41 55.859 54.326 1.533 1
1 441 . 5 1 1 A 41 41 ASN HA H 41 4.227 4.335 -0.108 1
1 442 . 5 1 1 A 41 41 ASN CB C 41 37.555 37.073 0.482 1
1 448 . 5 1 1 A 41 41 ASN C C 41 174.318 173.983 0.335 1
1 449 . 5 1 1 A 42 42 GLU N N 42 122.758 117.271 5.487 1
1 450 . 5 1 1 A 42 42 GLU H H 42 8.419 7.782 0.637 1
1 451 . 5 1 1 A 42 42 GLU CA C 42 56.625 54.883 1.742 1
1 452 . 5 1 1 A 42 42 GLU HA H 42 4.445 4.775 -0.330 1
1 453 . 5 1 1 A 42 42 GLU CB C 42 29.887 31.886 -1.999 1
1 459 . 5 1 1 A 42 42 GLU C C 42 173.885 175.339 -1.454 1
1 460 . 5 1 1 A 43 43 GLU N N 43 119.431 124.506 -5.075 1
1 461 . 5 1 1 A 43 43 GLU H H 43 7.901 8.825 -0.924 1
1 462 . 5 1 1 A 43 43 GLU CA C 43 54.997 56.551 -1.554 1
1 463 . 5 1 1 A 43 43 GLU HA H 43 5.106 4.906 0.200 1
1 464 . 5 1 1 A 43 43 GLU CB C 43 32.392 30.523 1.869 1
1 470 . 5 1 1 A 43 43 GLU C C 43 175.285 175.818 -0.533 1
1 471 . 5 1 1 A 44 44 TYR N N 44 118.011 119.717 -1.706 1
1 472 . 5 1 1 A 44 44 TYR H H 44 9.196 8.965 0.231 1
1 473 . 5 1 1 A 44 44 TYR CA C 44 56.847 56.225 0.622 1
1 474 . 5 1 1 A 44 44 TYR HA H 44 4.708 4.818 -0.110 1
1 475 . 5 1 1 A 44 44 TYR CB C 44 42.218 42.112 0.106 1
1 486 . 5 1 1 A 44 44 TYR C C 44 173.315 174.387 -1.072 1
1 487 . 5 1 1 A 45 45 CYS N N 45 120.674 124.450 -3.776 1
1 488 . 5 1 1 A 45 45 CYS H H 45 8.803 8.721 0.082 1
1 489 . 5 1 1 A 45 45 CYS CA C 45 57.318 59.264 -1.946 1
1 490 . 5 1 1 A 45 45 CYS HA H 45 4.425 4.308 0.117 1
1 491 . 5 1 1 A 45 45 CYS CB C 45 27.610 28.243 -0.633 1
1 494 . 5 1 1 A 45 45 CYS C C 45 174.817 174.143 0.674 1
1 495 . 5 1 1 A 46 46 LEU N N 46 129.242 128.430 0.812 1
1 496 . 5 1 1 A 46 46 LEU H H 46 8.803 8.498 0.305 1
1 497 . 5 1 1 A 46 46 LEU CA C 46 55.404 55.797 -0.393 1
1 498 . 5 1 1 A 46 46 LEU HA H 46 4.224 4.380 -0.156 1
1 499 . 5 1 1 A 46 46 LEU CB C 46 42.929 42.708 0.221 1
1 512 . 5 1 1 A 46 46 LEU C C 46 174.895 176.036 -1.141 1
1 513 . 5 1 1 A 47 47 LEU N N 47 127.172 128.762 -1.590 1
1 514 . 5 1 1 A 47 47 LEU H H 47 8.780 9.273 -0.493 1
1 515 . 5 1 1 A 47 47 LEU CA C 47 55.322 56.849 -1.527 1
1 516 . 5 1 1 A 47 47 LEU HA H 47 4.478 4.269 0.209 1
1 517 . 5 1 1 A 47 47 LEU CB C 47 42.904 42.448 0.456 1
1 530 . 5 1 1 A 47 47 LEU C C 47 177.543 176.584 0.959 1
1 531 . 5 1 1 A 48 48 ASP N N 48 115.262 116.986 -1.724 1
1 532 . 5 1 1 A 48 48 ASP H H 48 7.516 7.589 -0.073 1
1 533 . 5 1 1 A 48 48 ASP CA C 48 54.649 53.026 1.623 1
1 534 . 5 1 1 A 48 48 ASP HA H 48 4.754 4.916 -0.162 1
1 535 . 5 1 1 A 48 48 ASP CB C 48 43.524 44.944 -1.420 1
1 538 . 5 1 1 A 48 48 ASP C C 48 175.044 174.594 0.450 1
1 539 . 5 1 1 A 49 49 SER N N 49 123.571 114.926 8.645 1
1 540 . 5 1 1 A 49 49 SER H H 49 8.911 8.188 0.723 1
1 541 . 5 1 1 A 49 49 SER CA C 49 56.641 56.052 0.589 1
1 542 . 5 1 1 A 49 49 SER HA H 49 4.019 4.217 -0.198 1
1 543 . 5 1 1 A 49 49 SER CB C 49 62.018 61.936 0.082 1
1 546 . 5 1 1 A 49 49 SER C C 49 173.953 175.268 -1.315 1
1 547 . 5 1 1 A 50 50 SER N N 50 118.555 117.227 1.328 1
1 548 . 5 1 1 A 50 50 SER H H 50 8.528 7.972 0.556 1
1 549 . 5 1 1 A 50 50 SER CA C 50 61.824 61.680 0.144 1
1 550 . 5 1 1 A 50 50 SER HA H 50 4.050 4.028 0.022 1
1 551 . 5 1 1 A 50 50 SER CB C 50 63.334 62.982 0.352 1
1 554 . 5 1 1 A 50 50 SER C C 50 175.507 174.387 1.120 1
1 555 . 5 1 1 A 51 51 GLU N N 51 123.653 118.808 4.845 1
1 556 . 5 1 1 A 51 51 GLU H H 51 8.756 8.237 0.519 1
1 557 . 5 1 1 A 51 51 GLU CA C 51 55.391 55.362 0.029 1
1 558 . 5 1 1 A 51 51 GLU HA H 51 4.690 4.647 0.043 1
1 559 . 5 1 1 A 51 51 GLU CB C 51 30.112 31.772 -1.660 1
1 565 . 5 1 1 A 51 51 GLU C C 51 176.574 176.444 0.130 1
1 566 . 5 1 1 A 52 52 ILE N N 52 117.495 121.635 -4.140 1
1 567 . 5 1 1 A 52 52 ILE H H 52 8.223 8.515 -0.292 1
1 568 . 5 1 1 A 52 52 ILE CA C 52 64.478 62.848 1.630 1
1 569 . 5 1 1 A 52 52 ILE HA H 52 3.946 4.317 -0.371 1
1 570 . 5 1 1 A 52 52 ILE CB C 52 38.365 38.196 0.169 1
1 583 . 5 1 1 A 52 52 ILE C C 52 178.681 177.685 0.996 1
1 584 . 5 1 1 A 53 53 HIS N N 53 116.338 116.915 -0.577 1
1 585 . 5 1 1 A 53 53 HIS H H 53 8.529 7.507 1.022 1
1 586 . 5 1 1 A 53 53 HIS CA C 53 57.974 58.409 -0.435 1
1 587 . 5 1 1 A 53 53 HIS HA H 53 4.332 4.005 0.327 1
1 588 . 5 1 1 A 53 53 HIS CB C 53 31.646 29.048 2.598 1
1 595 . 5 1 1 A 53 53 HIS C C 53 175.678 174.665 1.013 1
1 596 . 5 1 1 A 54 54 TRP N N 54 120.664 116.612 4.052 1
1 597 . 5 1 1 A 54 54 TRP H H 54 7.298 7.865 -0.567 1
1 598 . 5 1 1 A 54 54 TRP CA C 54 55.972 55.565 0.407 1
1 599 . 5 1 1 A 54 54 TRP HA H 54 5.142 5.575 -0.433 1
1 600 . 5 1 1 A 54 54 TRP CB C 54 31.957 31.716 0.241 1
1 615 . 5 1 1 A 54 54 TRP C C 54 174.289 175.758 -1.469 1
1 616 . 5 1 1 A 55 55 TRP N N 55 124.636 123.808 0.828 1
1 617 . 5 1 1 A 55 55 TRP H H 55 9.260 9.230 0.030 1
1 618 . 5 1 1 A 55 55 TRP CA C 55 53.365 55.830 -2.465 1
1 619 . 5 1 1 A 55 55 TRP HA H 55 5.503 5.381 0.122 1
1 620 . 5 1 1 A 55 55 TRP CB C 55 32.591 32.393 0.198 1
1 635 . 5 1 1 A 55 55 TRP C C 55 174.620 175.365 -0.745 1
1 636 . 5 1 1 A 56 56 ARG N N 56 122.963 124.570 -1.607 1
1 637 . 5 1 1 A 56 56 ARG H H 56 8.876 8.942 -0.066 1
1 638 . 5 1 1 A 56 56 ARG CA C 56 55.250 55.548 -0.298 1
1 639 . 5 1 1 A 56 56 ARG HA H 56 4.716 4.952 -0.236 1
1 640 . 5 1 1 A 56 56 ARG CB C 56 32.705 31.380 1.325 1
1 651 . 5 1 1 A 56 56 ARG C C 56 175.777 176.038 -0.261 1
1 652 . 5 1 1 A 57 57 VAL N N 57 119.683 120.330 -0.647 1
1 653 . 5 1 1 A 57 57 VAL H H 57 8.784 8.495 0.289 1
1 654 . 5 1 1 A 57 57 VAL CA C 57 58.632 58.892 -0.260 1
1 655 . 5 1 1 A 57 57 VAL HA H 57 5.356 5.261 0.095 1
1 656 . 5 1 1 A 57 57 VAL CB C 57 36.354 36.291 0.063 1
1 666 . 5 1 1 A 57 57 VAL C C 57 172.758 173.644 -0.886 1
1 667 . 5 1 1 A 58 58 GLN N N 58 118.904 120.519 -1.615 1
1 668 . 5 1 1 A 58 58 GLN H H 58 8.911 8.739 0.172 1
1 669 . 5 1 1 A 58 58 GLN CA C 58 53.324 54.488 -1.164 1
1 670 . 5 1 1 A 58 58 GLN HA H 58 5.677 5.191 0.486 1
1 671 . 5 1 1 A 58 58 GLN CB C 58 35.149 32.703 2.446 1
1 680 . 5 1 1 A 58 58 GLN C C 58 175.711 174.360 1.351 1
1 681 . 5 1 1 A 59 59 ASP N N 59 125.232 126.751 -1.519 1
1 682 . 5 1 1 A 59 59 ASP H H 59 9.274 9.255 0.019 1
1 683 . 5 1 1 A 59 59 ASP CA C 59 52.577 53.938 -1.361 1
1 684 . 5 1 1 A 59 59 ASP HA H 59 5.257 4.767 0.490 1
1 685 . 5 1 1 A 59 59 ASP CB C 59 43.563 41.899 1.664 1
1 688 . 5 1 1 A 59 59 ASP C C 59 178.615 177.518 1.097 1
1 689 . 5 1 1 A 60 60 ARG N N 60 117.439 123.489 -6.050 1
1 690 . 5 1 1 A 60 60 ARG H H 60 9.177 8.930 0.247 1
1 691 . 5 1 1 A 60 60 ARG CA C 60 57.908 58.000 -0.092 1
1 692 . 5 1 1 A 60 60 ARG HA H 60 3.987 4.011 -0.024 1
1 693 . 5 1 1 A 60 60 ARG CB C 60 29.590 29.546 0.044 1
1 702 . 5 1 1 A 60 60 ARG C C 60 176.395 177.356 -0.961 1
1 703 . 5 1 1 A 61 61 ASN N N 61 117.081 116.439 0.642 1
1 704 . 5 1 1 A 61 61 ASN H H 61 8.294 7.653 0.641 1
1 705 . 5 1 1 A 61 61 ASN CA C 61 53.024 53.875 -0.851 1
1 706 . 5 1 1 A 61 61 ASN HA H 61 4.852 4.608 0.244 1
1 707 . 5 1 1 A 61 61 ASN CB C 61 39.662 39.458 0.204 1
1 713 . 5 1 1 A 61 61 ASN C C 61 175.197 175.335 -0.138 1
1 714 . 5 1 1 A 62 62 GLY N N 62 107.804 105.881 1.923 1
1 715 . 5 1 1 A 62 62 GLY H H 62 8.195 7.548 0.647 1
1 716 . 5 1 1 A 62 62 GLY CA C 62 45.423 45.082 0.341 1
1 717 . 5 1 1 A 62 62 GLY HA2 H 62 3.551 4.081 -0.530 1
1 718 . 5 1 1 A 62 62 GLY HA3 H 62 4.225 4.092 0.133 1
1 719 . 5 1 1 A 62 62 GLY C C 62 174.475 174.152 0.323 1
1 720 . 5 1 1 A 63 63 HIS N N 63 122.780 117.900 4.880 1
1 721 . 5 1 1 A 63 63 HIS H H 63 8.615 7.834 0.781 1
1 722 . 5 1 1 A 63 63 HIS CA C 63 55.653 54.950 0.703 1
1 723 . 5 1 1 A 63 63 HIS HA H 63 4.784 4.972 -0.188 1
1 724 . 5 1 1 A 63 63 HIS CB C 63 29.357 32.472 -3.115 1
1 731 . 5 1 1 A 63 63 HIS C C 63 173.926 174.470 -0.544 1
1 732 . 5 1 1 A 64 64 GLU N N 64 119.741 121.313 -1.572 1
1 733 . 5 1 1 A 64 64 GLU H H 64 8.681 8.980 -0.299 1
1 734 . 5 1 1 A 64 64 GLU CA C 64 53.989 54.606 -0.617 1
1 735 . 5 1 1 A 64 64 GLU HA H 64 5.835 5.505 0.330 1
1 736 . 5 1 1 A 64 64 GLU CB C 64 34.417 33.531 0.886 1
1 742 . 5 1 1 A 64 64 GLU C C 64 176.358 175.348 1.010 1
1 743 . 5 1 1 A 65 65 GLY N N 65 105.646 106.708 -1.062 1
1 744 . 5 1 1 A 65 65 GLY H H 65 8.399 7.914 0.485 1
1 745 . 5 1 1 A 65 65 GLY CA C 65 45.368 46.066 -0.698 1
1 746 . 5 1 1 A 65 65 GLY HA2 H 65 3.959 3.963 -0.004 1
1 747 . 5 1 1 A 65 65 GLY HA3 H 65 3.835 4.122 -0.287 1
1 748 . 5 1 1 A 65 65 GLY C C 65 170.819 170.970 -0.151 1
1 749 . 5 1 1 A 66 66 TYR N N 66 119.001 119.991 -0.990 1
1 750 . 5 1 1 A 66 66 TYR H H 66 8.863 7.989 0.874 1
1 751 . 5 1 1 A 66 66 TYR CA C 66 59.140 57.495 1.645 1
1 752 . 5 1 1 A 66 66 TYR HA H 66 5.317 5.253 0.064 1
1 753 . 5 1 1 A 66 66 TYR CB C 66 40.974 39.388 1.586 1
1 764 . 5 1 1 A 66 66 TYR C C 66 176.158 176.135 0.023 1
1 765 . 5 1 1 A 67 67 VAL N N 67 112.145 118.281 -6.136 1
1 766 . 5 1 1 A 67 67 VAL H H 67 9.180 8.572 0.608 1
1 767 . 5 1 1 A 67 67 VAL CA C 67 57.686 58.210 -0.524 1
1 768 . 5 1 1 A 67 67 VAL HA H 67 4.803 5.032 -0.229 1
1 769 . 5 1 1 A 67 67 VAL CB C 67 33.564 33.592 -0.028 1
1 779 . 5 1 1 A 67 67 VAL C C 67 172.139 173.625 -1.486 1
1 780 . 5 1 1 A 68 68 PRO CA C 68 61.422 62.454 -1.032 1
1 781 . 5 1 1 A 68 68 PRO HA H 68 3.745 4.612 -0.867 1
1 782 . 5 1 1 A 68 68 PRO CB C 68 30.557 31.207 -0.650 1
1 791 . 5 1 1 A 68 68 PRO C C 68 178.674 177.302 1.372 1
1 792 . 5 1 1 A 69 69 SER N N 69 122.331 121.780 0.551 1
1 793 . 5 1 1 A 69 69 SER H H 69 7.791 8.659 -0.868 1
1 794 . 5 1 1 A 69 69 SER CA C 69 60.162 61.087 -0.925 1
1 795 . 5 1 1 A 69 69 SER HA H 69 2.790 3.854 -1.064 1
1 796 . 5 1 1 A 69 69 SER CB C 69 60.021 62.108 -2.087 1
1 799 . 5 1 1 A 69 69 SER C C 69 176.238 176.101 0.137 1
1 800 . 5 1 1 A 70 70 SER N N 70 114.849 116.139 -1.290 1
1 801 . 5 1 1 A 70 70 SER H H 70 7.812 7.823 -0.011 1
1 802 . 5 1 1 A 70 70 SER CA C 70 59.590 62.223 -2.633 1
1 803 . 5 1 1 A 70 70 SER HA H 70 4.095 4.003 0.092 1
1 804 . 5 1 1 A 70 70 SER CB C 70 62.885 63.241 -0.356 1
1 807 . 5 1 1 A 70 70 SER C C 70 175.286 176.109 -0.823 1
1 808 . 5 1 1 A 71 71 TYR N N 71 122.244 118.481 3.763 1
1 809 . 5 1 1 A 71 71 TYR H H 71 7.593 8.199 -0.606 1
1 810 . 5 1 1 A 71 71 TYR CA C 71 58.102 60.359 -2.257 1
1 811 . 5 1 1 A 71 71 TYR HA H 71 4.496 4.350 0.146 1
1 812 . 5 1 1 A 71 71 TYR CB C 71 37.631 39.257 -1.626 1
1 823 . 5 1 1 A 71 71 TYR C C 71 174.002 176.421 -2.419 1
1 824 . 5 1 1 A 72 72 LEU N N 72 119.079 119.335 -0.256 1
1 825 . 5 1 1 A 72 72 LEU H H 72 7.270 7.152 0.118 1
1 826 . 5 1 1 A 72 72 LEU CA C 72 53.625 55.758 -2.133 1
1 827 . 5 1 1 A 72 72 LEU HA H 72 5.388 4.366 1.022 1
1 828 . 5 1 1 A 72 72 LEU CB C 72 46.623 42.587 4.036 1
1 841 . 5 1 1 A 72 72 LEU C C 72 175.893 176.280 -0.387 1
1 842 . 5 1 1 A 73 73 VAL N N 73 116.343 118.533 -2.190 1
1 843 . 5 1 1 A 73 73 VAL H H 73 8.610 8.802 -0.192 1
1 844 . 5 1 1 A 73 73 VAL CA C 73 59.707 59.040 0.667 1
1 845 . 5 1 1 A 73 73 VAL HA H 73 4.601 4.806 -0.205 1
1 846 . 5 1 1 A 73 73 VAL CB C 73 35.811 35.594 0.217 1
1 856 . 5 1 1 A 73 73 VAL C C 73 174.186 174.043 0.143 1
1 857 . 5 1 1 A 74 74 GLU N N 74 124.925 124.644 0.281 1
1 858 . 5 1 1 A 74 74 GLU H H 74 8.845 8.420 0.425 1
1 859 . 5 1 1 A 74 74 GLU CA C 74 57.745 56.544 1.201 1
1 860 . 5 1 1 A 74 74 GLU HA H 74 4.363 4.551 -0.188 1
1 861 . 5 1 1 A 74 74 GLU CB C 74 30.164 30.182 -0.018 1
1 867 . 5 1 1 A 74 74 GLU C C 74 176.322 176.241 0.081 1
1 868 . 5 1 1 A 75 75 LYS N N 75 125.959 129.529 -3.570 1
1 869 . 5 1 1 A 75 75 LYS H H 75 8.556 8.003 0.553 1
1 870 . 5 1 1 A 75 75 LYS CA C 75 57.115 56.898 0.217 1
1 871 . 5 1 1 A 75 75 LYS HA H 75 4.157 4.346 -0.189 1
1 872 . 5 1 1 A 75 75 LYS CB C 75 33.626 32.806 0.820 1
1 884 . 5 1 1 A 75 75 LYS C C 75 175.944 175.837 0.107 1
1 885 . 5 1 1 A 76 76 SER N N 76 121.519 120.473 1.046 1
1 886 . 5 1 1 A 76 76 SER H H 76 8.576 8.827 -0.251 1
1 887 . 5 1 1 A 76 76 SER CA C 76 56.205 56.447 -0.242 1
1 888 . 5 1 1 A 76 76 SER HA H 76 4.809 4.990 -0.181 1
1 889 . 5 1 1 A 76 76 SER CB C 76 63.582 63.074 0.508 1
1 891 . 5 1 1 A 76 76 SER C C 76 172.875 174.671 -1.796 1
1 892 . 5 1 1 A 77 77 PRO CA C 77 63.453 63.835 -0.382 1
1 893 . 5 1 1 A 77 77 PRO HA H 77 4.434 4.566 -0.132 1
1 894 . 5 1 1 A 77 77 PRO CB C 77 32.104 31.997 0.107 1
1 903 . 5 1 1 A 77 77 PRO C C 77 176.734 176.377 0.357 1
1 904 . 5 1 1 A 78 78 ASN N N 78 118.087 118.522 -0.435 1
1 905 . 5 1 1 A 78 78 ASN H H 78 8.434 8.020 0.414 1
1 906 . 5 1 1 A 78 78 ASN CA C 78 53.314 52.258 1.056 1
1 907 . 5 1 1 A 78 78 ASN HA H 78 4.653 4.841 -0.188 1
1 908 . 5 1 1 A 78 78 ASN CB C 78 38.823 36.554 2.269 1
1 914 . 5 1 1 A 78 78 ASN C C 78 174.985 175.262 -0.277 1
1 915 . 5 1 1 A 79 79 ASN N N 79 119.198 115.410 3.788 1
1 916 . 5 1 1 A 79 79 ASN H H 79 8.312 8.587 -0.275 1
1 917 . 5 1 1 A 79 79 ASN CA C 79 53.379 53.913 -0.534 1
1 918 . 5 1 1 A 79 79 ASN HA H 79 4.696 4.407 0.289 1
1 919 . 5 1 1 A 79 79 ASN CB C 79 38.827 36.281 2.546 1
1 925 . 5 1 1 A 79 79 ASN C C 79 175.132 175.288 -0.156 1
1 926 . 5 1 1 A 80 80 LEU N N 80 122.154 122.954 -0.800 1
1 927 . 5 1 1 A 80 80 LEU H H 80 8.195 7.863 0.332 1
1 928 . 5 1 1 A 80 80 LEU CA C 80 55.523 55.363 0.160 1
1 929 . 5 1 1 A 80 80 LEU HA H 80 4.305 4.360 -0.055 1
1 930 . 5 1 1 A 80 80 LEU CB C 80 42.304 42.353 -0.049 1
1 943 . 5 1 1 A 80 80 LEU C C 80 177.461 175.220 2.241 1
1 944 . 5 1 1 A 81 81 GLU N N 81 121.156 126.516 -5.360 1
1 945 . 5 1 1 A 81 81 GLU H H 81 8.341 9.015 -0.674 1
1 946 . 5 1 1 A 81 81 GLU CA C 81 56.665 55.302 1.363 1
1 947 . 5 1 1 A 81 81 GLU HA H 81 4.253 4.873 -0.620 1
1 948 . 5 1 1 A 81 81 GLU CB C 81 30.219 30.579 -0.360 1
1 954 . 5 1 1 A 81 81 GLU C C 81 176.365 175.169 1.196 1
1 955 . 5 1 1 A 82 82 THR N N 82 114.319 118.921 -4.602 1
1 956 . 5 1 1 A 82 82 THR H H 82 7.970 8.751 -0.781 1
1 957 . 5 1 1 A 82 82 THR CA C 82 61.517 58.883 2.634 1
1 958 . 5 1 1 A 82 82 THR HA H 82 4.211 4.966 -0.755 1
1 959 . 5 1 1 A 82 82 THR CB C 82 69.881 71.463 -1.582 1
1 965 . 5 1 1 A 82 82 THR C C 82 173.812 173.039 0.773 1
1 966 . 5 1 1 A 83 83 TYR N N 83 122.614 122.925 -0.311 1
1 967 . 5 1 1 A 83 83 TYR H H 83 8.076 8.679 -0.603 1
1 968 . 5 1 1 A 83 83 TYR CA C 83 57.640 58.686 -1.046 1
1 969 . 5 1 1 A 83 83 TYR HA H 83 4.444 4.751 -0.307 1
1 970 . 5 1 1 A 83 83 TYR CB C 83 38.964 38.447 0.517 1
1 981 . 5 1 1 A 83 83 TYR C C 83 175.115 175.402 -0.287 1
1 982 . 5 1 1 A 84 84 GLU N N 84 122.790 125.592 -2.802 1
1 983 . 5 1 1 A 84 84 GLU H H 84 7.995 9.099 -1.104 1
1 984 . 5 1 1 A 84 84 GLU CA C 84 56.097 55.745 0.352 1
1 985 . 5 1 1 A 84 84 GLU HA H 84 4.227 4.727 -0.500 1
1 986 . 5 1 1 A 84 84 GLU CB C 84 30.506 28.572 1.934 1
1 992 . 5 1 1 A 84 84 GLU C C 84 174.707 175.598 -0.891 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.365 45.742 -0.377 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.970 4.142 -0.172 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.824 4.143 -0.319 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.351 172.243 2.108 1
1 5 . 6 1 1 A 8 8 GLU N N 8 120.458 125.633 -5.175 1
1 6 . 6 1 1 A 8 8 GLU H H 8 8.288 9.120 -0.832 1
1 7 . 6 1 1 A 8 8 GLU CA C 8 56.663 54.774 1.889 1
1 8 . 6 1 1 A 8 8 GLU HA H 8 4.254 5.148 -0.894 1
1 9 . 6 1 1 A 8 8 GLU CB C 8 30.248 33.299 -3.051 1
1 15 . 6 1 1 A 8 8 GLU C C 8 176.364 175.078 1.286 1
1 16 . 6 1 1 A 9 9 ASP N N 9 120.849 125.985 -5.136 1
1 17 . 6 1 1 A 9 9 ASP H H 9 8.379 8.656 -0.277 1
1 18 . 6 1 1 A 9 9 ASP CA C 9 54.402 54.583 -0.181 1
1 19 . 6 1 1 A 9 9 ASP HA H 9 4.543 4.649 -0.106 1
1 20 . 6 1 1 A 9 9 ASP CB C 9 41.035 41.366 -0.331 1
1 23 . 6 1 1 A 9 9 ASP C C 9 176.003 176.018 -0.015 1
1 24 . 6 1 1 A 10 10 ASN N N 10 119.270 120.449 -1.179 1
1 25 . 6 1 1 A 10 10 ASN H H 10 8.303 8.120 0.183 1
1 26 . 6 1 1 A 10 10 ASN CA C 10 53.233 53.460 -0.227 1
1 27 . 6 1 1 A 10 10 ASN HA H 10 4.654 4.721 -0.067 1
1 28 . 6 1 1 A 10 10 ASN CB C 10 38.832 39.455 -0.623 1
1 34 . 6 1 1 A 10 10 ASN C C 10 175.079 175.039 0.040 1
1 35 . 6 1 1 A 11 11 ARG N N 11 120.795 126.812 -6.017 1
1 36 . 6 1 1 A 11 11 ARG H H 11 8.132 8.597 -0.465 1
1 37 . 6 1 1 A 11 11 ARG CA C 11 56.092 56.911 -0.819 1
1 38 . 6 1 1 A 11 11 ARG HA H 11 4.257 4.376 -0.119 1
1 39 . 6 1 1 A 11 11 ARG CB C 11 30.721 30.703 0.018 1
1 48 . 6 1 1 A 11 11 ARG C C 11 176.045 175.092 0.953 1
1 49 . 6 1 1 A 12 12 ARG N N 12 123.167 126.031 -2.864 1
1 50 . 6 1 1 A 12 12 ARG H H 12 8.222 8.397 -0.175 1
1 51 . 6 1 1 A 12 12 ARG CA C 12 53.918 54.087 -0.169 1
1 52 . 6 1 1 A 12 12 ARG HA H 12 4.506 4.710 -0.204 1
1 53 . 6 1 1 A 12 12 ARG CB C 12 29.923 33.748 -3.825 1
1 62 . 6 1 1 A 12 12 ARG C C 12 174.073 173.511 0.562 1
1 63 . 6 1 1 A 13 13 PRO CA C 13 62.815 62.773 0.042 1
1 64 . 6 1 1 A 13 13 PRO HA H 13 4.255 4.752 -0.497 1
1 65 . 6 1 1 A 13 13 PRO CB C 13 31.903 32.930 -1.027 1
1 74 . 6 1 1 A 13 13 PRO C C 13 176.315 176.460 -0.145 1
1 75 . 6 1 1 A 14 14 LEU N N 14 122.009 119.399 2.610 1
1 76 . 6 1 1 A 14 14 LEU H H 14 8.090 8.841 -0.751 1
1 77 . 6 1 1 A 14 14 LEU CA C 14 55.286 55.785 -0.499 1
1 78 . 6 1 1 A 14 14 LEU HA H 14 4.065 4.271 -0.206 1
1 79 . 6 1 1 A 14 14 LEU CB C 14 42.258 42.191 0.067 1
1 92 . 6 1 1 A 14 14 LEU C C 14 176.610 176.941 -0.331 1
1 93 . 6 1 1 A 15 15 TRP N N 15 120.219 118.305 1.914 1
1 94 . 6 1 1 A 15 15 TRP H H 15 7.582 7.695 -0.113 1
1 95 . 6 1 1 A 15 15 TRP CA C 15 56.114 57.501 -1.387 1
1 96 . 6 1 1 A 15 15 TRP HA H 15 4.803 4.754 0.049 1
1 97 . 6 1 1 A 15 15 TRP CB C 15 29.845 29.806 0.039 1
1 112 . 6 1 1 A 15 15 TRP C C 15 176.093 176.301 -0.208 1
1 113 . 6 1 1 A 16 16 GLU N N 16 124.270 119.875 4.395 1
1 114 . 6 1 1 A 16 16 GLU H H 16 8.901 8.222 0.679 1
1 115 . 6 1 1 A 16 16 GLU CA C 16 54.729 53.504 1.225 1
1 116 . 6 1 1 A 16 16 GLU HA H 16 4.471 4.831 -0.360 1
1 117 . 6 1 1 A 16 16 GLU CB C 16 29.173 30.737 -1.564 1
1 123 . 6 1 1 A 16 16 GLU C C 16 175.525 176.356 -0.831 1
1 124 . 6 1 1 A 17 17 PRO CA C 17 64.535 65.638 -1.103 1
1 125 . 6 1 1 A 17 17 PRO HA H 17 4.306 4.319 -0.013 1
1 126 . 6 1 1 A 17 17 PRO CB C 17 32.105 31.920 0.185 1
1 135 . 6 1 1 A 17 17 PRO C C 17 177.261 177.963 -0.702 1
1 136 . 6 1 1 A 18 18 GLU N N 18 116.089 117.912 -1.823 1
1 137 . 6 1 1 A 18 18 GLU H H 18 8.459 8.419 0.040 1
1 138 . 6 1 1 A 18 18 GLU CA C 18 57.215 59.627 -2.412 1
1 139 . 6 1 1 A 18 18 GLU HA H 18 4.203 4.103 0.100 1
1 140 . 6 1 1 A 18 18 GLU CB C 18 29.321 29.115 0.206 1
1 146 . 6 1 1 A 18 18 GLU C C 18 176.941 177.256 -0.315 1
1 147 . 6 1 1 A 19 19 GLU N N 19 120.173 119.013 1.160 1
1 148 . 6 1 1 A 19 19 GLU H H 19 7.861 7.970 -0.109 1
1 149 . 6 1 1 A 19 19 GLU CA C 19 56.170 56.846 -0.676 1
1 150 . 6 1 1 A 19 19 GLU HA H 19 4.257 4.442 -0.185 1
1 151 . 6 1 1 A 19 19 GLU CB C 19 30.012 30.347 -0.335 1
1 157 . 6 1 1 A 19 19 GLU C C 19 176.182 176.137 0.045 1
1 158 . 6 1 1 A 20 20 THR N N 20 120.847 118.105 2.742 1
1 159 . 6 1 1 A 20 20 THR H H 20 9.010 8.635 0.375 1
1 160 . 6 1 1 A 20 20 THR CA C 20 63.200 62.451 0.749 1
1 161 . 6 1 1 A 20 20 THR HA H 20 4.188 4.626 -0.438 1
1 162 . 6 1 1 A 20 20 THR CB C 20 69.394 69.083 0.311 1
1 168 . 6 1 1 A 20 20 THR C C 20 172.501 173.978 -1.477 1
1 169 . 6 1 1 A 21 21 VAL N N 21 128.753 127.985 0.768 1
1 170 . 6 1 1 A 21 21 VAL H H 21 8.497 8.984 -0.487 1
1 171 . 6 1 1 A 21 21 VAL CA C 21 61.422 60.777 0.645 1
1 172 . 6 1 1 A 21 21 VAL HA H 21 4.546 4.633 -0.087 1
1 173 . 6 1 1 A 21 21 VAL CB C 21 33.236 34.084 -0.848 1
1 183 . 6 1 1 A 21 21 VAL C C 21 175.700 175.269 0.431 1
1 184 . 6 1 1 A 22 22 VAL N N 22 119.061 120.817 -1.756 1
1 185 . 6 1 1 A 22 22 VAL H H 22 9.159 9.314 -0.155 1
1 186 . 6 1 1 A 22 22 VAL CA C 22 57.799 59.378 -1.579 1
1 187 . 6 1 1 A 22 22 VAL HA H 22 5.187 5.362 -0.175 1
1 188 . 6 1 1 A 22 22 VAL CB C 22 35.307 36.054 -0.747 1
1 198 . 6 1 1 A 22 22 VAL C C 22 173.461 174.753 -1.292 1
1 199 . 6 1 1 A 23 23 ILE N N 23 120.660 121.515 -0.855 1
1 200 . 6 1 1 A 23 23 ILE H H 23 9.354 8.432 0.922 1
1 201 . 6 1 1 A 23 23 ILE CA C 23 58.793 59.874 -1.081 1
1 202 . 6 1 1 A 23 23 ILE HA H 23 5.082 5.039 0.043 1
1 203 . 6 1 1 A 23 23 ILE CB C 23 41.289 41.726 -0.437 1
1 216 . 6 1 1 A 23 23 ILE C C 23 176.270 174.575 1.695 1
1 217 . 6 1 1 A 24 24 ALA N N 24 125.421 127.843 -2.422 1
1 218 . 6 1 1 A 24 24 ALA H H 24 8.184 8.329 -0.145 1
1 219 . 6 1 1 A 24 24 ALA CA C 24 51.461 51.268 0.193 1
1 220 . 6 1 1 A 24 24 ALA HA H 24 4.982 4.655 0.327 1
1 221 . 6 1 1 A 24 24 ALA CB C 24 20.231 19.853 0.378 1
1 225 . 6 1 1 A 24 24 ALA C C 24 178.664 178.186 0.478 1
1 226 . 6 1 1 A 25 25 LEU N N 25 126.185 125.694 0.491 1
1 227 . 6 1 1 A 25 25 LEU H H 25 9.388 8.424 0.964 1
1 228 . 6 1 1 A 25 25 LEU CA C 25 55.799 56.628 -0.829 1
1 229 . 6 1 1 A 25 25 LEU HA H 25 3.875 3.890 -0.015 1
1 230 . 6 1 1 A 25 25 LEU CB C 25 43.786 41.949 1.837 1
1 243 . 6 1 1 A 25 25 LEU C C 25 175.686 176.611 -0.925 1
1 244 . 6 1 1 A 26 26 TYR N N 26 110.488 115.304 -4.816 1
1 245 . 6 1 1 A 26 26 TYR H H 26 6.878 7.721 -0.843 1
1 246 . 6 1 1 A 26 26 TYR CA C 26 53.575 56.457 -2.882 1
1 247 . 6 1 1 A 26 26 TYR HA H 26 4.744 5.251 -0.507 1
1 248 . 6 1 1 A 26 26 TYR CB C 26 42.393 42.459 -0.066 1
1 259 . 6 1 1 A 26 26 TYR C C 26 173.800 174.819 -1.019 1
1 260 . 6 1 1 A 27 27 ASP N N 27 117.327 122.681 -5.354 1
1 261 . 6 1 1 A 27 27 ASP H H 27 8.278 8.617 -0.339 1
1 262 . 6 1 1 A 27 27 ASP CA C 27 54.522 53.648 0.874 1
1 263 . 6 1 1 A 27 27 ASP HA H 27 4.639 4.982 -0.343 1
1 264 . 6 1 1 A 27 27 ASP CB C 27 41.944 40.311 1.633 1
1 267 . 6 1 1 A 27 27 ASP C C 27 176.000 175.042 0.958 1
1 268 . 6 1 1 A 28 28 TYR N N 28 121.747 126.554 -4.807 1
1 269 . 6 1 1 A 28 28 TYR H H 28 8.724 8.797 -0.073 1
1 270 . 6 1 1 A 28 28 TYR CA C 28 57.938 59.124 -1.186 1
1 271 . 6 1 1 A 28 28 TYR HA H 28 4.934 4.808 0.126 1
1 272 . 6 1 1 A 28 28 TYR CB C 28 42.161 39.213 2.948 1
1 283 . 6 1 1 A 28 28 TYR C C 28 173.834 174.444 -0.610 1
1 284 . 6 1 1 A 29 29 GLN N N 29 126.180 125.494 0.686 1
1 285 . 6 1 1 A 29 29 GLN H H 29 7.959 8.083 -0.124 1
1 286 . 6 1 1 A 29 29 GLN CA C 29 54.153 53.904 0.249 1
1 287 . 6 1 1 A 29 29 GLN HA H 29 4.507 5.108 -0.601 1
1 288 . 6 1 1 A 29 29 GLN CB C 29 29.854 31.921 -2.067 1
1 297 . 6 1 1 A 29 29 GLN C C 29 173.966 174.900 -0.934 1
1 298 . 6 1 1 A 30 30 THR N N 30 115.009 115.344 -0.335 1
1 299 . 6 1 1 A 30 30 THR H H 30 7.982 8.524 -0.542 1
1 300 . 6 1 1 A 30 30 THR CA C 30 59.769 61.163 -1.394 1
1 301 . 6 1 1 A 30 30 THR HA H 30 4.319 4.588 -0.269 1
1 302 . 6 1 1 A 30 30 THR CB C 30 69.002 71.721 -2.719 1
1 308 . 6 1 1 A 30 30 THR C C 30 172.388 172.606 -0.218 1
1 309 . 6 1 1 A 31 31 ASN N N 31 121.715 127.442 -5.727 1
1 310 . 6 1 1 A 31 31 ASN H H 31 8.702 8.910 -0.208 1
1 311 . 6 1 1 A 31 31 ASN CA C 31 52.449 52.173 0.276 1
1 312 . 6 1 1 A 31 31 ASN HA H 31 4.787 4.812 -0.025 1
1 313 . 6 1 1 A 31 31 ASN CB C 31 39.822 37.651 2.171 1
1 319 . 6 1 1 A 31 31 ASN C C 31 174.579 173.750 0.829 1
1 320 . 6 1 1 A 32 32 ASP N N 32 124.854 121.093 3.761 1
1 321 . 6 1 1 A 32 32 ASP H H 32 8.333 7.503 0.830 1
1 322 . 6 1 1 A 32 32 ASP CA C 32 51.996 50.498 1.498 1
1 323 . 6 1 1 A 32 32 ASP HA H 32 4.827 5.028 -0.201 1
1 324 . 6 1 1 A 32 32 ASP CB C 32 43.075 42.364 0.711 1
1 327 . 6 1 1 A 32 32 ASP C C 32 176.135 175.890 0.245 1
1 328 . 6 1 1 A 33 33 PRO CA C 33 64.451 65.482 -1.031 1
1 329 . 6 1 1 A 33 33 PRO HA H 33 4.490 4.291 0.199 1
1 330 . 6 1 1 A 33 33 PRO CB C 33 32.425 31.812 0.613 1
1 339 . 6 1 1 A 33 33 PRO C C 33 177.612 178.253 -0.641 1
1 340 . 6 1 1 A 34 34 GLN N N 34 116.032 115.143 0.889 1
1 341 . 6 1 1 A 34 34 GLN H H 34 8.906 8.630 0.276 1
1 342 . 6 1 1 A 34 34 GLN CA C 34 56.080 56.615 -0.535 1
1 343 . 6 1 1 A 34 34 GLN HA H 34 4.559 4.195 0.364 1
1 344 . 6 1 1 A 34 34 GLN CB C 34 29.488 27.887 1.601 1
1 353 . 6 1 1 A 34 34 GLN C C 34 176.811 175.143 1.668 1
1 354 . 6 1 1 A 35 35 GLU N N 35 120.585 119.353 1.232 1
1 355 . 6 1 1 A 35 35 GLU H H 35 7.905 7.685 0.220 1
1 356 . 6 1 1 A 35 35 GLU CA C 35 55.147 54.829 0.318 1
1 357 . 6 1 1 A 35 35 GLU HA H 35 5.370 4.960 0.410 1
1 358 . 6 1 1 A 35 35 GLU CB C 35 33.394 33.334 0.060 1
1 364 . 6 1 1 A 35 35 GLU C C 35 174.508 174.433 0.075 1
1 365 . 6 1 1 A 36 36 LEU N N 36 122.127 125.129 -3.002 1
1 366 . 6 1 1 A 36 36 LEU H H 36 7.553 8.561 -1.008 1
1 367 . 6 1 1 A 36 36 LEU CA C 36 53.375 53.339 0.036 1
1 368 . 6 1 1 A 36 36 LEU HA H 36 4.415 5.261 -0.846 1
1 369 . 6 1 1 A 36 36 LEU CB C 36 45.685 45.926 -0.241 1
1 382 . 6 1 1 A 36 36 LEU C C 36 173.533 174.777 -1.244 1
1 383 . 6 1 1 A 37 37 ALA N N 37 124.419 128.461 -4.042 1
1 384 . 6 1 1 A 37 37 ALA H H 37 7.813 8.788 -0.975 1
1 385 . 6 1 1 A 37 37 ALA CA C 37 51.854 50.867 0.987 1
1 386 . 6 1 1 A 37 37 ALA HA H 37 4.581 4.920 -0.339 1
1 387 . 6 1 1 A 37 37 ALA CB C 37 19.371 19.863 -0.492 1
1 391 . 6 1 1 A 37 37 ALA C C 37 177.822 177.375 0.447 1
1 392 . 6 1 1 A 38 38 LEU N N 38 116.787 124.490 -7.703 1
1 393 . 6 1 1 A 38 38 LEU H H 38 8.656 8.713 -0.057 1
1 394 . 6 1 1 A 38 38 LEU CA C 38 52.952 55.454 -2.502 1
1 395 . 6 1 1 A 38 38 LEU HA H 38 5.026 4.121 0.905 1
1 396 . 6 1 1 A 38 38 LEU CB C 38 45.223 42.479 2.744 1
1 409 . 6 1 1 A 38 38 LEU C C 38 177.842 176.489 1.353 1
1 410 . 6 1 1 A 39 39 ARG N N 39 123.462 122.268 1.194 1
1 411 . 6 1 1 A 39 39 ARG H H 39 8.333 8.753 -0.420 1
1 412 . 6 1 1 A 39 39 ARG CA C 39 53.731 54.438 -0.707 1
1 413 . 6 1 1 A 39 39 ARG HA H 39 4.977 5.147 -0.170 1
1 414 . 6 1 1 A 39 39 ARG CB C 39 32.431 34.080 -1.649 1
1 423 . 6 1 1 A 39 39 ARG C C 39 174.595 175.424 -0.829 1
1 424 . 6 1 1 A 40 40 ARG N N 40 123.974 127.767 -3.793 1
1 425 . 6 1 1 A 40 40 ARG H H 40 8.899 8.768 0.131 1
1 426 . 6 1 1 A 40 40 ARG CA C 40 58.302 57.870 0.432 1
1 427 . 6 1 1 A 40 40 ARG HA H 40 3.350 3.999 -0.649 1
1 428 . 6 1 1 A 40 40 ARG CB C 40 30.480 30.084 0.396 1
1 437 . 6 1 1 A 40 40 ARG C C 40 176.432 177.034 -0.602 1
1 438 . 6 1 1 A 41 41 ASN N N 41 117.655 119.296 -1.641 1
1 439 . 6 1 1 A 41 41 ASN H H 41 9.246 8.758 0.488 1
1 440 . 6 1 1 A 41 41 ASN CA C 41 55.859 54.420 1.439 1
1 441 . 6 1 1 A 41 41 ASN HA H 41 4.227 4.309 -0.082 1
1 442 . 6 1 1 A 41 41 ASN CB C 41 37.555 36.935 0.620 1
1 448 . 6 1 1 A 41 41 ASN C C 41 174.318 173.927 0.391 1
1 449 . 6 1 1 A 42 42 GLU N N 42 122.758 117.035 5.723 1
1 450 . 6 1 1 A 42 42 GLU H H 42 8.419 7.764 0.655 1
1 451 . 6 1 1 A 42 42 GLU CA C 42 56.625 55.306 1.319 1
1 452 . 6 1 1 A 42 42 GLU HA H 42 4.445 4.821 -0.376 1
1 453 . 6 1 1 A 42 42 GLU CB C 42 29.887 33.438 -3.551 1
1 459 . 6 1 1 A 42 42 GLU C C 42 173.885 175.376 -1.491 1
1 460 . 6 1 1 A 43 43 GLU N N 43 119.431 122.794 -3.363 1
1 461 . 6 1 1 A 43 43 GLU H H 43 7.901 8.689 -0.788 1
1 462 . 6 1 1 A 43 43 GLU CA C 43 54.997 56.369 -1.372 1
1 463 . 6 1 1 A 43 43 GLU HA H 43 5.106 4.952 0.154 1
1 464 . 6 1 1 A 43 43 GLU CB C 43 32.392 30.572 1.820 1
1 470 . 6 1 1 A 43 43 GLU C C 43 175.285 175.603 -0.318 1
1 471 . 6 1 1 A 44 44 TYR N N 44 118.011 119.381 -1.370 1
1 472 . 6 1 1 A 44 44 TYR H H 44 9.196 9.054 0.142 1
1 473 . 6 1 1 A 44 44 TYR CA C 44 56.847 56.318 0.529 1
1 474 . 6 1 1 A 44 44 TYR HA H 44 4.708 4.793 -0.085 1
1 475 . 6 1 1 A 44 44 TYR CB C 44 42.218 42.186 0.032 1
1 486 . 6 1 1 A 44 44 TYR C C 44 173.315 174.322 -1.007 1
1 487 . 6 1 1 A 45 45 CYS N N 45 120.674 123.938 -3.264 1
1 488 . 6 1 1 A 45 45 CYS H H 45 8.803 8.747 0.056 1
1 489 . 6 1 1 A 45 45 CYS CA C 45 57.318 58.895 -1.577 1
1 490 . 6 1 1 A 45 45 CYS HA H 45 4.425 4.387 0.038 1
1 491 . 6 1 1 A 45 45 CYS CB C 45 27.610 28.298 -0.688 1
1 494 . 6 1 1 A 45 45 CYS C C 45 174.817 174.149 0.668 1
1 495 . 6 1 1 A 46 46 LEU N N 46 129.242 127.169 2.073 1
1 496 . 6 1 1 A 46 46 LEU H H 46 8.803 8.582 0.221 1
1 497 . 6 1 1 A 46 46 LEU CA C 46 55.404 54.633 0.771 1
1 498 . 6 1 1 A 46 46 LEU HA H 46 4.224 4.468 -0.244 1
1 499 . 6 1 1 A 46 46 LEU CB C 46 42.929 42.042 0.887 1
1 512 . 6 1 1 A 46 46 LEU C C 46 174.895 175.784 -0.889 1
1 513 . 6 1 1 A 47 47 LEU N N 47 127.172 128.862 -1.690 1
1 514 . 6 1 1 A 47 47 LEU H H 47 8.780 8.966 -0.186 1
1 515 . 6 1 1 A 47 47 LEU CA C 47 55.322 57.130 -1.808 1
1 516 . 6 1 1 A 47 47 LEU HA H 47 4.478 4.129 0.349 1
1 517 . 6 1 1 A 47 47 LEU CB C 47 42.904 42.410 0.494 1
1 530 . 6 1 1 A 47 47 LEU C C 47 177.543 176.512 1.031 1
1 531 . 6 1 1 A 48 48 ASP N N 48 115.262 114.760 0.502 1
1 532 . 6 1 1 A 48 48 ASP H H 48 7.516 7.456 0.060 1
1 533 . 6 1 1 A 48 48 ASP CA C 48 54.649 54.128 0.521 1
1 534 . 6 1 1 A 48 48 ASP HA H 48 4.754 4.849 -0.095 1
1 535 . 6 1 1 A 48 48 ASP CB C 48 43.524 44.755 -1.231 1
1 538 . 6 1 1 A 48 48 ASP C C 48 175.044 174.998 0.046 1
1 539 . 6 1 1 A 49 49 SER N N 49 123.571 118.854 4.717 1
1 540 . 6 1 1 A 49 49 SER H H 49 8.911 8.410 0.501 1
1 541 . 6 1 1 A 49 49 SER CA C 49 56.641 56.839 -0.198 1
1 542 . 6 1 1 A 49 49 SER HA H 49 4.019 4.287 -0.268 1
1 543 . 6 1 1 A 49 49 SER CB C 49 62.018 62.355 -0.337 1
1 546 . 6 1 1 A 49 49 SER C C 49 173.953 175.510 -1.557 1
1 547 . 6 1 1 A 50 50 SER N N 50 118.555 117.048 1.507 1
1 548 . 6 1 1 A 50 50 SER H H 50 8.528 8.255 0.273 1
1 549 . 6 1 1 A 50 50 SER CA C 50 61.824 61.681 0.143 1
1 550 . 6 1 1 A 50 50 SER HA H 50 4.050 4.153 -0.103 1
1 551 . 6 1 1 A 50 50 SER CB C 50 63.334 63.044 0.290 1
1 554 . 6 1 1 A 50 50 SER C C 50 175.507 174.954 0.553 1
1 555 . 6 1 1 A 51 51 GLU N N 51 123.653 119.659 3.994 1
1 556 . 6 1 1 A 51 51 GLU H H 51 8.756 8.150 0.606 1
1 557 . 6 1 1 A 51 51 GLU CA C 51 55.391 54.691 0.700 1
1 558 . 6 1 1 A 51 51 GLU HA H 51 4.690 4.811 -0.121 1
1 559 . 6 1 1 A 51 51 GLU CB C 51 30.112 32.020 -1.908 1
1 565 . 6 1 1 A 51 51 GLU C C 51 176.574 176.312 0.262 1
1 566 . 6 1 1 A 52 52 ILE N N 52 117.495 121.300 -3.805 1
1 567 . 6 1 1 A 52 52 ILE H H 52 8.223 8.452 -0.229 1
1 568 . 6 1 1 A 52 52 ILE CA C 52 64.478 62.993 1.485 1
1 569 . 6 1 1 A 52 52 ILE HA H 52 3.946 4.322 -0.376 1
1 570 . 6 1 1 A 52 52 ILE CB C 52 38.365 38.570 -0.205 1
1 583 . 6 1 1 A 52 52 ILE C C 52 178.681 177.462 1.219 1
1 584 . 6 1 1 A 53 53 HIS N N 53 116.338 116.924 -0.586 1
1 585 . 6 1 1 A 53 53 HIS H H 53 8.529 7.700 0.829 1
1 586 . 6 1 1 A 53 53 HIS CA C 53 57.974 58.830 -0.856 1
1 587 . 6 1 1 A 53 53 HIS HA H 53 4.332 3.992 0.340 1
1 588 . 6 1 1 A 53 53 HIS CB C 53 31.646 30.237 1.409 1
1 595 . 6 1 1 A 53 53 HIS C C 53 175.678 174.613 1.065 1
1 596 . 6 1 1 A 54 54 TRP N N 54 120.664 116.286 4.378 1
1 597 . 6 1 1 A 54 54 TRP H H 54 7.298 7.888 -0.590 1
1 598 . 6 1 1 A 54 54 TRP CA C 54 55.972 55.575 0.397 1
1 599 . 6 1 1 A 54 54 TRP HA H 54 5.142 5.420 -0.278 1
1 600 . 6 1 1 A 54 54 TRP CB C 54 31.957 31.037 0.920 1
1 615 . 6 1 1 A 54 54 TRP C C 54 174.289 175.536 -1.247 1
1 616 . 6 1 1 A 55 55 TRP N N 55 124.636 124.273 0.363 1
1 617 . 6 1 1 A 55 55 TRP H H 55 9.260 9.211 0.049 1
1 618 . 6 1 1 A 55 55 TRP CA C 55 53.365 55.978 -2.613 1
1 619 . 6 1 1 A 55 55 TRP HA H 55 5.503 5.381 0.122 1
1 620 . 6 1 1 A 55 55 TRP CB C 55 32.591 32.423 0.168 1
1 635 . 6 1 1 A 55 55 TRP C C 55 174.620 175.309 -0.689 1
1 636 . 6 1 1 A 56 56 ARG N N 56 122.963 123.821 -0.858 1
1 637 . 6 1 1 A 56 56 ARG H H 56 8.876 8.703 0.173 1
1 638 . 6 1 1 A 56 56 ARG CA C 56 55.250 55.271 -0.021 1
1 639 . 6 1 1 A 56 56 ARG HA H 56 4.716 5.129 -0.413 1
1 640 . 6 1 1 A 56 56 ARG CB C 56 32.705 31.828 0.877 1
1 651 . 6 1 1 A 56 56 ARG C C 56 175.777 175.656 0.121 1
1 652 . 6 1 1 A 57 57 VAL N N 57 119.683 120.196 -0.513 1
1 653 . 6 1 1 A 57 57 VAL H H 57 8.784 9.070 -0.286 1
1 654 . 6 1 1 A 57 57 VAL CA C 57 58.632 58.734 -0.102 1
1 655 . 6 1 1 A 57 57 VAL HA H 57 5.356 5.315 0.041 1
1 656 . 6 1 1 A 57 57 VAL CB C 57 36.354 36.366 -0.012 1
1 666 . 6 1 1 A 57 57 VAL C C 57 172.758 173.580 -0.822 1
1 667 . 6 1 1 A 58 58 GLN N N 58 118.904 120.544 -1.640 1
1 668 . 6 1 1 A 58 58 GLN H H 58 8.911 8.486 0.425 1
1 669 . 6 1 1 A 58 58 GLN CA C 58 53.324 54.376 -1.052 1
1 670 . 6 1 1 A 58 58 GLN HA H 58 5.677 5.202 0.475 1
1 671 . 6 1 1 A 58 58 GLN CB C 58 35.149 32.348 2.801 1
1 680 . 6 1 1 A 58 58 GLN C C 58 175.711 173.873 1.838 1
1 681 . 6 1 1 A 59 59 ASP N N 59 125.232 125.967 -0.735 1
1 682 . 6 1 1 A 59 59 ASP H H 59 9.274 9.129 0.145 1
1 683 . 6 1 1 A 59 59 ASP CA C 59 52.577 53.731 -1.154 1
1 684 . 6 1 1 A 59 59 ASP HA H 59 5.257 4.653 0.604 1
1 685 . 6 1 1 A 59 59 ASP CB C 59 43.563 41.748 1.815 1
1 688 . 6 1 1 A 59 59 ASP C C 59 178.615 177.325 1.290 1
1 689 . 6 1 1 A 60 60 ARG N N 60 117.439 123.178 -5.739 1
1 690 . 6 1 1 A 60 60 ARG H H 60 9.177 8.870 0.307 1
1 691 . 6 1 1 A 60 60 ARG CA C 60 57.908 58.792 -0.884 1
1 692 . 6 1 1 A 60 60 ARG HA H 60 3.987 4.103 -0.116 1
1 693 . 6 1 1 A 60 60 ARG CB C 60 29.590 29.872 -0.282 1
1 702 . 6 1 1 A 60 60 ARG C C 60 176.395 178.208 -1.813 1
1 703 . 6 1 1 A 61 61 ASN N N 61 117.081 116.121 0.960 1
1 704 . 6 1 1 A 61 61 ASN H H 61 8.294 7.896 0.398 1
1 705 . 6 1 1 A 61 61 ASN CA C 61 53.024 54.414 -1.390 1
1 706 . 6 1 1 A 61 61 ASN HA H 61 4.852 4.451 0.401 1
1 707 . 6 1 1 A 61 61 ASN CB C 61 39.662 38.763 0.899 1
1 713 . 6 1 1 A 61 61 ASN C C 61 175.197 175.346 -0.149 1
1 714 . 6 1 1 A 62 62 GLY N N 62 107.804 105.835 1.969 1
1 715 . 6 1 1 A 62 62 GLY H H 62 8.195 7.461 0.734 1
1 716 . 6 1 1 A 62 62 GLY CA C 62 45.423 45.069 0.354 1
1 717 . 6 1 1 A 62 62 GLY HA2 H 62 3.551 4.066 -0.515 1
1 718 . 6 1 1 A 62 62 GLY HA3 H 62 4.225 4.077 0.148 1
1 719 . 6 1 1 A 62 62 GLY C C 62 174.475 174.184 0.291 1
1 720 . 6 1 1 A 63 63 HIS N N 63 122.780 117.694 5.086 1
1 721 . 6 1 1 A 63 63 HIS H H 63 8.615 7.836 0.779 1
1 722 . 6 1 1 A 63 63 HIS CA C 63 55.653 55.078 0.575 1
1 723 . 6 1 1 A 63 63 HIS HA H 63 4.784 4.936 -0.152 1
1 724 . 6 1 1 A 63 63 HIS CB C 63 29.357 32.546 -3.189 1
1 731 . 6 1 1 A 63 63 HIS C C 63 173.926 174.790 -0.864 1
1 732 . 6 1 1 A 64 64 GLU N N 64 119.741 120.860 -1.119 1
1 733 . 6 1 1 A 64 64 GLU H H 64 8.681 9.005 -0.324 1
1 734 . 6 1 1 A 64 64 GLU CA C 64 53.989 54.426 -0.437 1
1 735 . 6 1 1 A 64 64 GLU HA H 64 5.835 5.269 0.566 1
1 736 . 6 1 1 A 64 64 GLU CB C 64 34.417 33.058 1.359 1
1 742 . 6 1 1 A 64 64 GLU C C 64 176.358 175.313 1.045 1
1 743 . 6 1 1 A 65 65 GLY N N 65 105.646 106.539 -0.893 1
1 744 . 6 1 1 A 65 65 GLY H H 65 8.399 7.826 0.573 1
1 745 . 6 1 1 A 65 65 GLY CA C 65 45.368 45.767 -0.399 1
1 746 . 6 1 1 A 65 65 GLY HA2 H 65 3.959 4.019 -0.060 1
1 747 . 6 1 1 A 65 65 GLY HA3 H 65 3.835 4.188 -0.353 1
1 748 . 6 1 1 A 65 65 GLY C C 65 170.819 171.324 -0.505 1
1 749 . 6 1 1 A 66 66 TYR N N 66 119.001 120.550 -1.549 1
1 750 . 6 1 1 A 66 66 TYR H H 66 8.863 8.477 0.386 1
1 751 . 6 1 1 A 66 66 TYR CA C 66 59.140 56.669 2.471 1
1 752 . 6 1 1 A 66 66 TYR HA H 66 5.317 5.577 -0.260 1
1 753 . 6 1 1 A 66 66 TYR CB C 66 40.974 41.275 -0.301 1
1 764 . 6 1 1 A 66 66 TYR C C 66 176.158 175.419 0.739 1
1 765 . 6 1 1 A 67 67 VAL N N 67 112.145 117.531 -5.386 1
1 766 . 6 1 1 A 67 67 VAL H H 67 9.180 8.595 0.585 1
1 767 . 6 1 1 A 67 67 VAL CA C 67 57.686 58.194 -0.508 1
1 768 . 6 1 1 A 67 67 VAL HA H 67 4.803 4.984 -0.181 1
1 769 . 6 1 1 A 67 67 VAL CB C 67 33.564 34.408 -0.844 1
1 779 . 6 1 1 A 67 67 VAL C C 67 172.139 173.153 -1.014 1
1 780 . 6 1 1 A 68 68 PRO CA C 68 61.422 62.405 -0.983 1
1 781 . 6 1 1 A 68 68 PRO HA H 68 3.745 4.554 -0.809 1
1 782 . 6 1 1 A 68 68 PRO CB C 68 30.557 31.208 -0.651 1
1 791 . 6 1 1 A 68 68 PRO C C 68 178.674 177.204 1.470 1
1 792 . 6 1 1 A 69 69 SER N N 69 122.331 121.782 0.549 1
1 793 . 6 1 1 A 69 69 SER H H 69 7.791 8.355 -0.564 1
1 794 . 6 1 1 A 69 69 SER CA C 69 60.162 61.047 -0.885 1
1 795 . 6 1 1 A 69 69 SER HA H 69 2.790 3.808 -1.018 1
1 796 . 6 1 1 A 69 69 SER CB C 69 60.021 61.872 -1.851 1
1 799 . 6 1 1 A 69 69 SER C C 69 176.238 176.097 0.141 1
1 800 . 6 1 1 A 70 70 SER N N 70 114.849 116.110 -1.261 1
1 801 . 6 1 1 A 70 70 SER H H 70 7.812 7.880 -0.068 1
1 802 . 6 1 1 A 70 70 SER CA C 70 59.590 62.446 -2.856 1
1 803 . 6 1 1 A 70 70 SER HA H 70 4.095 3.989 0.106 1
1 804 . 6 1 1 A 70 70 SER CB C 70 62.885 63.158 -0.273 1
1 807 . 6 1 1 A 70 70 SER C C 70 175.286 176.326 -1.040 1
1 808 . 6 1 1 A 71 71 TYR N N 71 122.244 118.604 3.640 1
1 809 . 6 1 1 A 71 71 TYR H H 71 7.593 8.102 -0.509 1
1 810 . 6 1 1 A 71 71 TYR CA C 71 58.102 60.239 -2.137 1
1 811 . 6 1 1 A 71 71 TYR HA H 71 4.496 4.343 0.153 1
1 812 . 6 1 1 A 71 71 TYR CB C 71 37.631 39.235 -1.604 1
1 823 . 6 1 1 A 71 71 TYR C C 71 174.002 176.235 -2.233 1
1 824 . 6 1 1 A 72 72 LEU N N 72 119.079 119.686 -0.607 1
1 825 . 6 1 1 A 72 72 LEU H H 72 7.270 7.561 -0.291 1
1 826 . 6 1 1 A 72 72 LEU CA C 72 53.625 55.690 -2.065 1
1 827 . 6 1 1 A 72 72 LEU HA H 72 5.388 4.410 0.978 1
1 828 . 6 1 1 A 72 72 LEU CB C 72 46.623 42.206 4.417 1
1 841 . 6 1 1 A 72 72 LEU C C 72 175.893 176.379 -0.486 1
1 842 . 6 1 1 A 73 73 VAL N N 73 116.343 118.937 -2.594 1
1 843 . 6 1 1 A 73 73 VAL H H 73 8.610 8.750 -0.140 1
1 844 . 6 1 1 A 73 73 VAL CA C 73 59.707 59.578 0.129 1
1 845 . 6 1 1 A 73 73 VAL HA H 73 4.601 4.814 -0.213 1
1 846 . 6 1 1 A 73 73 VAL CB C 73 35.811 34.942 0.869 1
1 856 . 6 1 1 A 73 73 VAL C C 73 174.186 174.410 -0.224 1
1 857 . 6 1 1 A 74 74 GLU N N 74 124.925 125.922 -0.997 1
1 858 . 6 1 1 A 74 74 GLU H H 74 8.845 8.553 0.292 1
1 859 . 6 1 1 A 74 74 GLU CA C 74 57.745 56.731 1.014 1
1 860 . 6 1 1 A 74 74 GLU HA H 74 4.363 4.426 -0.063 1
1 861 . 6 1 1 A 74 74 GLU CB C 74 30.164 30.108 0.056 1
1 867 . 6 1 1 A 74 74 GLU C C 74 176.322 176.274 0.048 1
1 868 . 6 1 1 A 75 75 LYS N N 75 125.959 129.669 -3.710 1
1 869 . 6 1 1 A 75 75 LYS H H 75 8.556 7.891 0.665 1
1 870 . 6 1 1 A 75 75 LYS CA C 75 57.115 57.068 0.047 1
1 871 . 6 1 1 A 75 75 LYS HA H 75 4.157 4.297 -0.140 1
1 872 . 6 1 1 A 75 75 LYS CB C 75 33.626 32.877 0.749 1
1 884 . 6 1 1 A 75 75 LYS C C 75 175.944 176.454 -0.510 1
1 885 . 6 1 1 A 76 76 SER N N 76 121.519 122.198 -0.679 1
1 886 . 6 1 1 A 76 76 SER H H 76 8.576 8.501 0.075 1
1 887 . 6 1 1 A 76 76 SER CA C 76 56.205 57.881 -1.676 1
1 888 . 6 1 1 A 76 76 SER HA H 76 4.809 4.456 0.353 1
1 889 . 6 1 1 A 76 76 SER CB C 76 63.582 63.572 0.010 1
1 891 . 6 1 1 A 76 76 SER C C 76 172.875 172.885 -0.010 1
1 892 . 6 1 1 A 77 77 PRO CA C 77 63.453 62.392 1.061 1
1 893 . 6 1 1 A 77 77 PRO HA H 77 4.434 4.626 -0.192 1
1 894 . 6 1 1 A 77 77 PRO CB C 77 32.104 33.256 -1.152 1
1 903 . 6 1 1 A 77 77 PRO C C 77 176.734 176.437 0.297 1
1 904 . 6 1 1 A 78 78 ASN N N 78 118.087 118.315 -0.228 1
1 905 . 6 1 1 A 78 78 ASN H H 78 8.434 8.913 -0.479 1
1 906 . 6 1 1 A 78 78 ASN CA C 78 53.314 53.408 -0.094 1
1 907 . 6 1 1 A 78 78 ASN HA H 78 4.653 4.888 -0.235 1
1 908 . 6 1 1 A 78 78 ASN CB C 78 38.823 40.492 -1.669 1
1 914 . 6 1 1 A 78 78 ASN C C 78 174.985 175.657 -0.672 1
1 915 . 6 1 1 A 79 79 ASN N N 79 119.198 117.304 1.894 1
1 916 . 6 1 1 A 79 79 ASN H H 79 8.312 8.234 0.078 1
1 917 . 6 1 1 A 79 79 ASN CA C 79 53.379 54.097 -0.718 1
1 918 . 6 1 1 A 79 79 ASN HA H 79 4.696 4.349 0.347 1
1 919 . 6 1 1 A 79 79 ASN CB C 79 38.827 37.185 1.642 1
1 925 . 6 1 1 A 79 79 ASN C C 79 175.132 175.154 -0.022 1
1 926 . 6 1 1 A 80 80 LEU N N 80 122.154 120.033 2.121 1
1 927 . 6 1 1 A 80 80 LEU H H 80 8.195 7.769 0.426 1
1 928 . 6 1 1 A 80 80 LEU CA C 80 55.523 54.104 1.419 1
1 929 . 6 1 1 A 80 80 LEU HA H 80 4.305 4.794 -0.489 1
1 930 . 6 1 1 A 80 80 LEU CB C 80 42.304 43.581 -1.277 1
1 943 . 6 1 1 A 80 80 LEU C C 80 177.461 175.342 2.119 1
1 944 . 6 1 1 A 81 81 GLU N N 81 121.156 127.275 -6.119 1
1 945 . 6 1 1 A 81 81 GLU H H 81 8.341 8.959 -0.618 1
1 946 . 6 1 1 A 81 81 GLU CA C 81 56.665 56.334 0.331 1
1 947 . 6 1 1 A 81 81 GLU HA H 81 4.253 4.546 -0.293 1
1 948 . 6 1 1 A 81 81 GLU CB C 81 30.219 29.203 1.016 1
1 954 . 6 1 1 A 81 81 GLU C C 81 176.365 176.606 -0.241 1
1 955 . 6 1 1 A 82 82 THR N N 82 114.319 120.358 -6.039 1
1 956 . 6 1 1 A 82 82 THR H H 82 7.970 8.520 -0.550 1
1 957 . 6 1 1 A 82 82 THR CA C 82 61.517 61.611 -0.094 1
1 958 . 6 1 1 A 82 82 THR HA H 82 4.211 4.589 -0.378 1
1 959 . 6 1 1 A 82 82 THR CB C 82 69.881 68.311 1.570 1
1 965 . 6 1 1 A 82 82 THR C C 82 173.812 173.461 0.351 1
1 966 . 6 1 1 A 83 83 TYR N N 83 122.614 121.676 0.938 1
1 967 . 6 1 1 A 83 83 TYR H H 83 8.076 7.918 0.158 1
1 968 . 6 1 1 A 83 83 TYR CA C 83 57.640 57.013 0.627 1
1 969 . 6 1 1 A 83 83 TYR HA H 83 4.444 5.123 -0.679 1
1 970 . 6 1 1 A 83 83 TYR CB C 83 38.964 40.791 -1.827 1
1 981 . 6 1 1 A 83 83 TYR C C 83 175.115 174.779 0.336 1
1 982 . 6 1 1 A 84 84 GLU N N 84 122.790 124.978 -2.188 1
1 983 . 6 1 1 A 84 84 GLU H H 84 7.995 8.834 -0.839 1
1 984 . 6 1 1 A 84 84 GLU CA C 84 56.097 54.647 1.450 1
1 985 . 6 1 1 A 84 84 GLU HA H 84 4.227 4.718 -0.491 1
1 986 . 6 1 1 A 84 84 GLU CB C 84 30.506 30.086 0.420 1
1 992 . 6 1 1 A 84 84 GLU C C 84 174.707 176.068 -1.361 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.365 46.984 -1.619 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.970 3.885 0.085 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.824 3.885 -0.061 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.351 174.776 -0.425 1
1 5 . 7 1 1 A 8 8 GLU N N 8 120.458 120.859 -0.401 1
1 6 . 7 1 1 A 8 8 GLU H H 8 8.288 8.292 -0.004 1
1 7 . 7 1 1 A 8 8 GLU CA C 8 56.663 57.039 -0.376 1
1 8 . 7 1 1 A 8 8 GLU HA H 8 4.254 4.298 -0.044 1
1 9 . 7 1 1 A 8 8 GLU CB C 8 30.248 30.434 -0.186 1
1 15 . 7 1 1 A 8 8 GLU C C 8 176.364 175.426 0.938 1
1 16 . 7 1 1 A 9 9 ASP N N 9 120.849 124.706 -3.857 1
1 17 . 7 1 1 A 9 9 ASP H H 9 8.379 8.938 -0.559 1
1 18 . 7 1 1 A 9 9 ASP CA C 9 54.402 53.164 1.238 1
1 19 . 7 1 1 A 9 9 ASP HA H 9 4.543 5.147 -0.604 1
1 20 . 7 1 1 A 9 9 ASP CB C 9 41.035 42.284 -1.249 1
1 23 . 7 1 1 A 9 9 ASP C C 9 176.003 175.125 0.878 1
1 24 . 7 1 1 A 10 10 ASN N N 10 119.270 122.944 -3.674 1
1 25 . 7 1 1 A 10 10 ASN H H 10 8.303 8.967 -0.664 1
1 26 . 7 1 1 A 10 10 ASN CA C 10 53.233 51.830 1.403 1
1 27 . 7 1 1 A 10 10 ASN HA H 10 4.654 5.094 -0.440 1
1 28 . 7 1 1 A 10 10 ASN CB C 10 38.832 38.479 0.353 1
1 34 . 7 1 1 A 10 10 ASN C C 10 175.079 174.412 0.667 1
1 35 . 7 1 1 A 11 11 ARG N N 11 120.795 126.343 -5.548 1
1 36 . 7 1 1 A 11 11 ARG H H 11 8.132 8.776 -0.644 1
1 37 . 7 1 1 A 11 11 ARG CA C 11 56.092 56.717 -0.625 1
1 38 . 7 1 1 A 11 11 ARG HA H 11 4.257 4.492 -0.235 1
1 39 . 7 1 1 A 11 11 ARG CB C 11 30.721 31.060 -0.339 1
1 48 . 7 1 1 A 11 11 ARG C C 11 176.045 175.330 0.715 1
1 49 . 7 1 1 A 12 12 ARG N N 12 123.167 126.092 -2.925 1
1 50 . 7 1 1 A 12 12 ARG H H 12 8.222 8.356 -0.134 1
1 51 . 7 1 1 A 12 12 ARG CA C 12 53.918 53.714 0.204 1
1 52 . 7 1 1 A 12 12 ARG HA H 12 4.506 4.709 -0.203 1
1 53 . 7 1 1 A 12 12 ARG CB C 12 29.923 33.565 -3.642 1
1 62 . 7 1 1 A 12 12 ARG C C 12 174.073 173.924 0.149 1
1 63 . 7 1 1 A 13 13 PRO CA C 13 62.815 62.592 0.223 1
1 64 . 7 1 1 A 13 13 PRO HA H 13 4.255 4.778 -0.523 1
1 65 . 7 1 1 A 13 13 PRO CB C 13 31.903 33.684 -1.781 1
1 74 . 7 1 1 A 13 13 PRO C C 13 176.315 176.586 -0.271 1
1 75 . 7 1 1 A 14 14 LEU N N 14 122.009 119.438 2.571 1
1 76 . 7 1 1 A 14 14 LEU H H 14 8.090 8.864 -0.774 1
1 77 . 7 1 1 A 14 14 LEU CA C 14 55.286 55.618 -0.332 1
1 78 . 7 1 1 A 14 14 LEU HA H 14 4.065 4.306 -0.241 1
1 79 . 7 1 1 A 14 14 LEU CB C 14 42.258 42.761 -0.503 1
1 92 . 7 1 1 A 14 14 LEU C C 14 176.610 176.684 -0.074 1
1 93 . 7 1 1 A 15 15 TRP N N 15 120.219 117.767 2.452 1
1 94 . 7 1 1 A 15 15 TRP H H 15 7.582 7.865 -0.283 1
1 95 . 7 1 1 A 15 15 TRP CA C 15 56.114 57.127 -1.013 1
1 96 . 7 1 1 A 15 15 TRP HA H 15 4.803 4.924 -0.121 1
1 97 . 7 1 1 A 15 15 TRP CB C 15 29.845 30.994 -1.149 1
1 112 . 7 1 1 A 15 15 TRP C C 15 176.093 176.264 -0.171 1
1 113 . 7 1 1 A 16 16 GLU N N 16 124.270 120.255 4.015 1
1 114 . 7 1 1 A 16 16 GLU H H 16 8.901 8.963 -0.062 1
1 115 . 7 1 1 A 16 16 GLU CA C 16 54.729 54.366 0.363 1
1 116 . 7 1 1 A 16 16 GLU HA H 16 4.471 4.630 -0.159 1
1 117 . 7 1 1 A 16 16 GLU CB C 16 29.173 29.417 -0.244 1
1 123 . 7 1 1 A 16 16 GLU C C 16 175.525 176.414 -0.889 1
1 124 . 7 1 1 A 17 17 PRO CA C 17 64.535 64.480 0.055 1
1 125 . 7 1 1 A 17 17 PRO HA H 17 4.306 4.513 -0.207 1
1 126 . 7 1 1 A 17 17 PRO CB C 17 32.105 31.962 0.143 1
1 135 . 7 1 1 A 17 17 PRO C C 17 177.261 177.489 -0.228 1
1 136 . 7 1 1 A 18 18 GLU N N 18 116.089 115.361 0.728 1
1 137 . 7 1 1 A 18 18 GLU H H 18 8.459 8.617 -0.158 1
1 138 . 7 1 1 A 18 18 GLU CA C 18 57.215 55.600 1.615 1
1 139 . 7 1 1 A 18 18 GLU HA H 18 4.203 4.413 -0.210 1
1 140 . 7 1 1 A 18 18 GLU CB C 18 29.321 29.182 0.139 1
1 146 . 7 1 1 A 18 18 GLU C C 18 176.941 175.820 1.121 1
1 147 . 7 1 1 A 19 19 GLU N N 19 120.173 120.760 -0.587 1
1 148 . 7 1 1 A 19 19 GLU H H 19 7.861 7.799 0.062 1
1 149 . 7 1 1 A 19 19 GLU CA C 19 56.170 54.898 1.272 1
1 150 . 7 1 1 A 19 19 GLU HA H 19 4.257 4.845 -0.588 1
1 151 . 7 1 1 A 19 19 GLU CB C 19 30.012 32.754 -2.742 1
1 157 . 7 1 1 A 19 19 GLU C C 19 176.182 175.760 0.422 1
1 158 . 7 1 1 A 20 20 THR N N 20 120.847 119.320 1.527 1
1 159 . 7 1 1 A 20 20 THR H H 20 9.010 8.690 0.320 1
1 160 . 7 1 1 A 20 20 THR CA C 20 63.200 64.086 -0.886 1
1 161 . 7 1 1 A 20 20 THR HA H 20 4.188 4.197 -0.009 1
1 162 . 7 1 1 A 20 20 THR CB C 20 69.394 68.577 0.817 1
1 168 . 7 1 1 A 20 20 THR C C 20 172.501 173.938 -1.437 1
1 169 . 7 1 1 A 21 21 VAL N N 21 128.753 127.827 0.926 1
1 170 . 7 1 1 A 21 21 VAL H H 21 8.497 8.629 -0.132 1
1 171 . 7 1 1 A 21 21 VAL CA C 21 61.422 60.700 0.722 1
1 172 . 7 1 1 A 21 21 VAL HA H 21 4.546 5.100 -0.554 1
1 173 . 7 1 1 A 21 21 VAL CB C 21 33.236 34.566 -1.330 1
1 183 . 7 1 1 A 21 21 VAL C C 21 175.700 175.422 0.278 1
1 184 . 7 1 1 A 22 22 VAL N N 22 119.061 120.878 -1.817 1
1 185 . 7 1 1 A 22 22 VAL H H 22 9.159 9.078 0.081 1
1 186 . 7 1 1 A 22 22 VAL CA C 22 57.799 59.029 -1.230 1
1 187 . 7 1 1 A 22 22 VAL HA H 22 5.187 5.289 -0.102 1
1 188 . 7 1 1 A 22 22 VAL CB C 22 35.307 35.577 -0.270 1
1 198 . 7 1 1 A 22 22 VAL C C 22 173.461 174.624 -1.163 1
1 199 . 7 1 1 A 23 23 ILE N N 23 120.660 122.282 -1.622 1
1 200 . 7 1 1 A 23 23 ILE H H 23 9.354 8.637 0.717 1
1 201 . 7 1 1 A 23 23 ILE CA C 23 58.793 59.436 -0.643 1
1 202 . 7 1 1 A 23 23 ILE HA H 23 5.082 5.076 0.006 1
1 203 . 7 1 1 A 23 23 ILE CB C 23 41.289 41.808 -0.519 1
1 216 . 7 1 1 A 23 23 ILE C C 23 176.270 174.664 1.606 1
1 217 . 7 1 1 A 24 24 ALA N N 24 125.421 128.307 -2.886 1
1 218 . 7 1 1 A 24 24 ALA H H 24 8.184 8.491 -0.307 1
1 219 . 7 1 1 A 24 24 ALA CA C 24 51.461 51.720 -0.259 1
1 220 . 7 1 1 A 24 24 ALA HA H 24 4.982 4.814 0.168 1
1 221 . 7 1 1 A 24 24 ALA CB C 24 20.231 19.225 1.006 1
1 225 . 7 1 1 A 24 24 ALA C C 24 178.664 177.845 0.819 1
1 226 . 7 1 1 A 25 25 LEU N N 25 126.185 125.211 0.974 1
1 227 . 7 1 1 A 25 25 LEU H H 25 9.388 8.958 0.430 1
1 228 . 7 1 1 A 25 25 LEU CA C 25 55.799 56.045 -0.246 1
1 229 . 7 1 1 A 25 25 LEU HA H 25 3.875 3.983 -0.108 1
1 230 . 7 1 1 A 25 25 LEU CB C 25 43.786 42.237 1.549 1
1 243 . 7 1 1 A 25 25 LEU C C 25 175.686 176.608 -0.922 1
1 244 . 7 1 1 A 26 26 TYR N N 26 110.488 115.495 -5.007 1
1 245 . 7 1 1 A 26 26 TYR H H 26 6.878 7.620 -0.742 1
1 246 . 7 1 1 A 26 26 TYR CA C 26 53.575 56.290 -2.715 1
1 247 . 7 1 1 A 26 26 TYR HA H 26 4.744 5.223 -0.479 1
1 248 . 7 1 1 A 26 26 TYR CB C 26 42.393 41.710 0.683 1
1 259 . 7 1 1 A 26 26 TYR C C 26 173.800 174.909 -1.109 1
1 260 . 7 1 1 A 27 27 ASP N N 27 117.327 123.061 -5.734 1
1 261 . 7 1 1 A 27 27 ASP H H 27 8.278 8.763 -0.485 1
1 262 . 7 1 1 A 27 27 ASP CA C 27 54.522 53.947 0.575 1
1 263 . 7 1 1 A 27 27 ASP HA H 27 4.639 4.860 -0.221 1
1 264 . 7 1 1 A 27 27 ASP CB C 27 41.944 39.964 1.980 1
1 267 . 7 1 1 A 27 27 ASP C C 27 176.000 175.161 0.839 1
1 268 . 7 1 1 A 28 28 TYR N N 28 121.747 126.520 -4.773 1
1 269 . 7 1 1 A 28 28 TYR H H 28 8.724 8.995 -0.271 1
1 270 . 7 1 1 A 28 28 TYR CA C 28 57.938 59.356 -1.418 1
1 271 . 7 1 1 A 28 28 TYR HA H 28 4.934 4.869 0.065 1
1 272 . 7 1 1 A 28 28 TYR CB C 28 42.161 39.550 2.611 1
1 283 . 7 1 1 A 28 28 TYR C C 28 173.834 174.912 -1.078 1
1 284 . 7 1 1 A 29 29 GLN N N 29 126.180 122.560 3.620 1
1 285 . 7 1 1 A 29 29 GLN H H 29 7.959 8.081 -0.122 1
1 286 . 7 1 1 A 29 29 GLN CA C 29 54.153 53.758 0.395 1
1 287 . 7 1 1 A 29 29 GLN HA H 29 4.507 5.170 -0.663 1
1 288 . 7 1 1 A 29 29 GLN CB C 29 29.854 33.116 -3.262 1
1 297 . 7 1 1 A 29 29 GLN C C 29 173.966 173.893 0.073 1
1 298 . 7 1 1 A 30 30 THR N N 30 115.009 114.350 0.659 1
1 299 . 7 1 1 A 30 30 THR H H 30 7.982 8.443 -0.461 1
1 300 . 7 1 1 A 30 30 THR CA C 30 59.769 60.846 -1.077 1
1 301 . 7 1 1 A 30 30 THR HA H 30 4.319 4.757 -0.438 1
1 302 . 7 1 1 A 30 30 THR CB C 30 69.002 71.074 -2.072 1
1 308 . 7 1 1 A 30 30 THR C C 30 172.388 172.825 -0.437 1
1 309 . 7 1 1 A 31 31 ASN N N 31 121.715 123.746 -2.031 1
1 310 . 7 1 1 A 31 31 ASN H H 31 8.702 8.748 -0.046 1
1 311 . 7 1 1 A 31 31 ASN CA C 31 52.449 52.721 -0.272 1
1 312 . 7 1 1 A 31 31 ASN HA H 31 4.787 4.836 -0.049 1
1 313 . 7 1 1 A 31 31 ASN CB C 31 39.822 38.301 1.521 1
1 319 . 7 1 1 A 31 31 ASN C C 31 174.579 174.499 0.080 1
1 320 . 7 1 1 A 32 32 ASP N N 32 124.854 120.961 3.893 1
1 321 . 7 1 1 A 32 32 ASP H H 32 8.333 7.186 1.147 1
1 322 . 7 1 1 A 32 32 ASP CA C 32 51.996 51.464 0.532 1
1 323 . 7 1 1 A 32 32 ASP HA H 32 4.827 4.916 -0.089 1
1 324 . 7 1 1 A 32 32 ASP CB C 32 43.075 41.214 1.861 1
1 327 . 7 1 1 A 32 32 ASP C C 32 176.135 175.833 0.302 1
1 328 . 7 1 1 A 33 33 PRO CA C 33 64.451 64.861 -0.410 1
1 329 . 7 1 1 A 33 33 PRO HA H 33 4.490 4.296 0.194 1
1 330 . 7 1 1 A 33 33 PRO CB C 33 32.425 32.071 0.354 1
1 339 . 7 1 1 A 33 33 PRO C C 33 177.612 178.312 -0.700 1
1 340 . 7 1 1 A 34 34 GLN N N 34 116.032 115.365 0.667 1
1 341 . 7 1 1 A 34 34 GLN H H 34 8.906 8.558 0.348 1
1 342 . 7 1 1 A 34 34 GLN CA C 34 56.080 57.721 -1.641 1
1 343 . 7 1 1 A 34 34 GLN HA H 34 4.559 4.118 0.441 1
1 344 . 7 1 1 A 34 34 GLN CB C 34 29.488 27.753 1.735 1
1 353 . 7 1 1 A 34 34 GLN C C 34 176.811 175.914 0.897 1
1 354 . 7 1 1 A 35 35 GLU N N 35 120.585 119.406 1.179 1
1 355 . 7 1 1 A 35 35 GLU H H 35 7.905 7.803 0.102 1
1 356 . 7 1 1 A 35 35 GLU CA C 35 55.147 54.686 0.461 1
1 357 . 7 1 1 A 35 35 GLU HA H 35 5.370 4.953 0.417 1
1 358 . 7 1 1 A 35 35 GLU CB C 35 33.394 32.920 0.474 1
1 364 . 7 1 1 A 35 35 GLU C C 35 174.508 174.460 0.048 1
1 365 . 7 1 1 A 36 36 LEU N N 36 122.127 124.195 -2.068 1
1 366 . 7 1 1 A 36 36 LEU H H 36 7.553 8.502 -0.949 1
1 367 . 7 1 1 A 36 36 LEU CA C 36 53.375 53.457 -0.082 1
1 368 . 7 1 1 A 36 36 LEU HA H 36 4.415 5.313 -0.898 1
1 369 . 7 1 1 A 36 36 LEU CB C 36 45.685 46.932 -1.247 1
1 382 . 7 1 1 A 36 36 LEU C C 36 173.533 174.462 -0.929 1
1 383 . 7 1 1 A 37 37 ALA N N 37 124.419 127.813 -3.394 1
1 384 . 7 1 1 A 37 37 ALA H H 37 7.813 8.736 -0.923 1
1 385 . 7 1 1 A 37 37 ALA CA C 37 51.854 50.970 0.884 1
1 386 . 7 1 1 A 37 37 ALA HA H 37 4.581 5.051 -0.470 1
1 387 . 7 1 1 A 37 37 ALA CB C 37 19.371 20.166 -0.795 1
1 391 . 7 1 1 A 37 37 ALA C C 37 177.822 177.457 0.365 1
1 392 . 7 1 1 A 38 38 LEU N N 38 116.787 124.080 -7.293 1
1 393 . 7 1 1 A 38 38 LEU H H 38 8.656 8.990 -0.334 1
1 394 . 7 1 1 A 38 38 LEU CA C 38 52.952 54.971 -2.019 1
1 395 . 7 1 1 A 38 38 LEU HA H 38 5.026 4.295 0.731 1
1 396 . 7 1 1 A 38 38 LEU CB C 38 45.223 42.301 2.922 1
1 409 . 7 1 1 A 38 38 LEU C C 38 177.842 176.507 1.335 1
1 410 . 7 1 1 A 39 39 ARG N N 39 123.462 122.487 0.975 1
1 411 . 7 1 1 A 39 39 ARG H H 39 8.333 8.604 -0.271 1
1 412 . 7 1 1 A 39 39 ARG CA C 39 53.731 54.303 -0.572 1
1 413 . 7 1 1 A 39 39 ARG HA H 39 4.977 5.159 -0.182 1
1 414 . 7 1 1 A 39 39 ARG CB C 39 32.431 34.031 -1.600 1
1 423 . 7 1 1 A 39 39 ARG C C 39 174.595 175.492 -0.897 1
1 424 . 7 1 1 A 40 40 ARG N N 40 123.974 127.668 -3.694 1
1 425 . 7 1 1 A 40 40 ARG H H 40 8.899 8.753 0.146 1
1 426 . 7 1 1 A 40 40 ARG CA C 40 58.302 57.978 0.324 1
1 427 . 7 1 1 A 40 40 ARG HA H 40 3.350 4.013 -0.663 1
1 428 . 7 1 1 A 40 40 ARG CB C 40 30.480 30.055 0.425 1
1 437 . 7 1 1 A 40 40 ARG C C 40 176.432 177.033 -0.601 1
1 438 . 7 1 1 A 41 41 ASN N N 41 117.655 119.388 -1.733 1
1 439 . 7 1 1 A 41 41 ASN H H 41 9.246 8.756 0.490 1
1 440 . 7 1 1 A 41 41 ASN CA C 41 55.859 54.409 1.450 1
1 441 . 7 1 1 A 41 41 ASN HA H 41 4.227 4.307 -0.080 1
1 442 . 7 1 1 A 41 41 ASN CB C 41 37.555 36.955 0.600 1
1 448 . 7 1 1 A 41 41 ASN C C 41 174.318 173.948 0.370 1
1 449 . 7 1 1 A 42 42 GLU N N 42 122.758 117.354 5.404 1
1 450 . 7 1 1 A 42 42 GLU H H 42 8.419 7.771 0.648 1
1 451 . 7 1 1 A 42 42 GLU CA C 42 56.625 55.324 1.301 1
1 452 . 7 1 1 A 42 42 GLU HA H 42 4.445 4.855 -0.410 1
1 453 . 7 1 1 A 42 42 GLU CB C 42 29.887 33.399 -3.512 1
1 459 . 7 1 1 A 42 42 GLU C C 42 173.885 175.315 -1.430 1
1 460 . 7 1 1 A 43 43 GLU N N 43 119.431 123.191 -3.760 1
1 461 . 7 1 1 A 43 43 GLU H H 43 7.901 8.833 -0.932 1
1 462 . 7 1 1 A 43 43 GLU CA C 43 54.997 56.465 -1.468 1
1 463 . 7 1 1 A 43 43 GLU HA H 43 5.106 5.053 0.053 1
1 464 . 7 1 1 A 43 43 GLU CB C 43 32.392 31.334 1.058 1
1 470 . 7 1 1 A 43 43 GLU C C 43 175.285 175.451 -0.166 1
1 471 . 7 1 1 A 44 44 TYR N N 44 118.011 118.860 -0.849 1
1 472 . 7 1 1 A 44 44 TYR H H 44 9.196 8.668 0.528 1
1 473 . 7 1 1 A 44 44 TYR CA C 44 56.847 56.374 0.473 1
1 474 . 7 1 1 A 44 44 TYR HA H 44 4.708 4.761 -0.053 1
1 475 . 7 1 1 A 44 44 TYR CB C 44 42.218 42.818 -0.600 1
1 486 . 7 1 1 A 44 44 TYR C C 44 173.315 173.553 -0.238 1
1 487 . 7 1 1 A 45 45 CYS N N 45 120.674 121.425 -0.751 1
1 488 . 7 1 1 A 45 45 CYS H H 45 8.803 8.428 0.375 1
1 489 . 7 1 1 A 45 45 CYS CA C 45 57.318 57.608 -0.290 1
1 490 . 7 1 1 A 45 45 CYS HA H 45 4.425 4.967 -0.542 1
1 491 . 7 1 1 A 45 45 CYS CB C 45 27.610 28.732 -1.122 1
1 494 . 7 1 1 A 45 45 CYS C C 45 174.817 173.520 1.297 1
1 495 . 7 1 1 A 46 46 LEU N N 46 129.242 128.079 1.163 1
1 496 . 7 1 1 A 46 46 LEU H H 46 8.803 8.021 0.782 1
1 497 . 7 1 1 A 46 46 LEU CA C 46 55.404 56.629 -1.225 1
1 498 . 7 1 1 A 46 46 LEU HA H 46 4.224 4.180 0.044 1
1 499 . 7 1 1 A 46 46 LEU CB C 46 42.929 42.398 0.531 1
1 512 . 7 1 1 A 46 46 LEU C C 46 174.895 176.207 -1.312 1
1 513 . 7 1 1 A 47 47 LEU N N 47 127.172 127.919 -0.747 1
1 514 . 7 1 1 A 47 47 LEU H H 47 8.780 9.134 -0.354 1
1 515 . 7 1 1 A 47 47 LEU CA C 47 55.322 56.305 -0.983 1
1 516 . 7 1 1 A 47 47 LEU HA H 47 4.478 4.378 0.100 1
1 517 . 7 1 1 A 47 47 LEU CB C 47 42.904 42.442 0.462 1
1 530 . 7 1 1 A 47 47 LEU C C 47 177.543 176.383 1.160 1
1 531 . 7 1 1 A 48 48 ASP N N 48 115.262 115.134 0.128 1
1 532 . 7 1 1 A 48 48 ASP H H 48 7.516 7.812 -0.296 1
1 533 . 7 1 1 A 48 48 ASP CA C 48 54.649 53.612 1.037 1
1 534 . 7 1 1 A 48 48 ASP HA H 48 4.754 4.889 -0.135 1
1 535 . 7 1 1 A 48 48 ASP CB C 48 43.524 44.481 -0.957 1
1 538 . 7 1 1 A 48 48 ASP C C 48 175.044 174.409 0.635 1
1 539 . 7 1 1 A 49 49 SER N N 49 123.571 118.183 5.388 1
1 540 . 7 1 1 A 49 49 SER H H 49 8.911 8.275 0.636 1
1 541 . 7 1 1 A 49 49 SER CA C 49 56.641 56.292 0.349 1
1 542 . 7 1 1 A 49 49 SER HA H 49 4.019 4.522 -0.503 1
1 543 . 7 1 1 A 49 49 SER CB C 49 62.018 62.393 -0.375 1
1 546 . 7 1 1 A 49 49 SER C C 49 173.953 175.491 -1.538 1
1 547 . 7 1 1 A 50 50 SER N N 50 118.555 117.125 1.430 1
1 548 . 7 1 1 A 50 50 SER H H 50 8.528 7.964 0.564 1
1 549 . 7 1 1 A 50 50 SER CA C 50 61.824 61.584 0.240 1
1 550 . 7 1 1 A 50 50 SER HA H 50 4.050 4.087 -0.037 1
1 551 . 7 1 1 A 50 50 SER CB C 50 63.334 63.094 0.240 1
1 554 . 7 1 1 A 50 50 SER C C 50 175.507 174.343 1.164 1
1 555 . 7 1 1 A 51 51 GLU N N 51 123.653 118.572 5.081 1
1 556 . 7 1 1 A 51 51 GLU H H 51 8.756 8.210 0.546 1
1 557 . 7 1 1 A 51 51 GLU CA C 51 55.391 54.873 0.518 1
1 558 . 7 1 1 A 51 51 GLU HA H 51 4.690 4.735 -0.045 1
1 559 . 7 1 1 A 51 51 GLU CB C 51 30.112 31.287 -1.175 1
1 565 . 7 1 1 A 51 51 GLU C C 51 176.574 176.569 0.005 1
1 566 . 7 1 1 A 52 52 ILE N N 52 117.495 123.449 -5.954 1
1 567 . 7 1 1 A 52 52 ILE H H 52 8.223 8.604 -0.381 1
1 568 . 7 1 1 A 52 52 ILE CA C 52 64.478 63.378 1.100 1
1 569 . 7 1 1 A 52 52 ILE HA H 52 3.946 4.159 -0.213 1
1 570 . 7 1 1 A 52 52 ILE CB C 52 38.365 38.064 0.301 1
1 583 . 7 1 1 A 52 52 ILE C C 52 178.681 177.597 1.084 1
1 584 . 7 1 1 A 53 53 HIS N N 53 116.338 116.823 -0.485 1
1 585 . 7 1 1 A 53 53 HIS H H 53 8.529 7.643 0.886 1
1 586 . 7 1 1 A 53 53 HIS CA C 53 57.974 58.741 -0.767 1
1 587 . 7 1 1 A 53 53 HIS HA H 53 4.332 4.052 0.280 1
1 588 . 7 1 1 A 53 53 HIS CB C 53 31.646 29.707 1.939 1
1 595 . 7 1 1 A 53 53 HIS C C 53 175.678 174.748 0.930 1
1 596 . 7 1 1 A 54 54 TRP N N 54 120.664 116.676 3.988 1
1 597 . 7 1 1 A 54 54 TRP H H 54 7.298 7.950 -0.652 1
1 598 . 7 1 1 A 54 54 TRP CA C 54 55.972 55.420 0.552 1
1 599 . 7 1 1 A 54 54 TRP HA H 54 5.142 5.342 -0.200 1
1 600 . 7 1 1 A 54 54 TRP CB C 54 31.957 31.543 0.414 1
1 615 . 7 1 1 A 54 54 TRP C C 54 174.289 175.565 -1.276 1
1 616 . 7 1 1 A 55 55 TRP N N 55 124.636 123.916 0.720 1
1 617 . 7 1 1 A 55 55 TRP H H 55 9.260 9.640 -0.380 1
1 618 . 7 1 1 A 55 55 TRP CA C 55 53.365 55.720 -2.355 1
1 619 . 7 1 1 A 55 55 TRP HA H 55 5.503 5.299 0.204 1
1 620 . 7 1 1 A 55 55 TRP CB C 55 32.591 32.517 0.074 1
1 635 . 7 1 1 A 55 55 TRP C C 55 174.620 175.243 -0.623 1
1 636 . 7 1 1 A 56 56 ARG N N 56 122.963 124.573 -1.610 1
1 637 . 7 1 1 A 56 56 ARG H H 56 8.876 8.840 0.036 1
1 638 . 7 1 1 A 56 56 ARG CA C 56 55.250 55.288 -0.038 1
1 639 . 7 1 1 A 56 56 ARG HA H 56 4.716 4.916 -0.200 1
1 640 . 7 1 1 A 56 56 ARG CB C 56 32.705 31.580 1.125 1
1 651 . 7 1 1 A 56 56 ARG C C 56 175.777 175.561 0.216 1
1 652 . 7 1 1 A 57 57 VAL N N 57 119.683 120.697 -1.014 1
1 653 . 7 1 1 A 57 57 VAL H H 57 8.784 9.087 -0.303 1
1 654 . 7 1 1 A 57 57 VAL CA C 57 58.632 58.842 -0.210 1
1 655 . 7 1 1 A 57 57 VAL HA H 57 5.356 5.158 0.198 1
1 656 . 7 1 1 A 57 57 VAL CB C 57 36.354 35.321 1.033 1
1 666 . 7 1 1 A 57 57 VAL C C 57 172.758 173.494 -0.736 1
1 667 . 7 1 1 A 58 58 GLN N N 58 118.904 121.666 -2.762 1
1 668 . 7 1 1 A 58 58 GLN H H 58 8.911 8.804 0.107 1
1 669 . 7 1 1 A 58 58 GLN CA C 58 53.324 53.972 -0.648 1
1 670 . 7 1 1 A 58 58 GLN HA H 58 5.677 5.527 0.150 1
1 671 . 7 1 1 A 58 58 GLN CB C 58 35.149 32.324 2.825 1
1 680 . 7 1 1 A 58 58 GLN C C 58 175.711 175.077 0.634 1
1 681 . 7 1 1 A 59 59 ASP N N 59 125.232 126.568 -1.336 1
1 682 . 7 1 1 A 59 59 ASP H H 59 9.274 8.959 0.315 1
1 683 . 7 1 1 A 59 59 ASP CA C 59 52.577 53.869 -1.292 1
1 684 . 7 1 1 A 59 59 ASP HA H 59 5.257 4.809 0.448 1
1 685 . 7 1 1 A 59 59 ASP CB C 59 43.563 41.915 1.648 1
1 688 . 7 1 1 A 59 59 ASP C C 59 178.615 177.681 0.934 1
1 689 . 7 1 1 A 60 60 ARG N N 60 117.439 123.153 -5.714 1
1 690 . 7 1 1 A 60 60 ARG H H 60 9.177 8.757 0.420 1
1 691 . 7 1 1 A 60 60 ARG CA C 60 57.908 58.991 -1.083 1
1 692 . 7 1 1 A 60 60 ARG HA H 60 3.987 4.080 -0.093 1
1 693 . 7 1 1 A 60 60 ARG CB C 60 29.590 29.897 -0.307 1
1 702 . 7 1 1 A 60 60 ARG C C 60 176.395 178.477 -2.082 1
1 703 . 7 1 1 A 61 61 ASN N N 61 117.081 115.805 1.276 1
1 704 . 7 1 1 A 61 61 ASN H H 61 8.294 7.968 0.326 1
1 705 . 7 1 1 A 61 61 ASN CA C 61 53.024 54.732 -1.708 1
1 706 . 7 1 1 A 61 61 ASN HA H 61 4.852 4.428 0.424 1
1 707 . 7 1 1 A 61 61 ASN CB C 61 39.662 38.708 0.954 1
1 713 . 7 1 1 A 61 61 ASN C C 61 175.197 175.349 -0.152 1
1 714 . 7 1 1 A 62 62 GLY N N 62 107.804 105.975 1.829 1
1 715 . 7 1 1 A 62 62 GLY H H 62 8.195 7.418 0.777 1
1 716 . 7 1 1 A 62 62 GLY CA C 62 45.423 45.047 0.376 1
1 717 . 7 1 1 A 62 62 GLY HA2 H 62 3.551 4.051 -0.500 1
1 718 . 7 1 1 A 62 62 GLY HA3 H 62 4.225 4.061 0.164 1
1 719 . 7 1 1 A 62 62 GLY C C 62 174.475 174.253 0.222 1
1 720 . 7 1 1 A 63 63 HIS N N 63 122.780 117.718 5.062 1
1 721 . 7 1 1 A 63 63 HIS H H 63 8.615 7.798 0.817 1
1 722 . 7 1 1 A 63 63 HIS CA C 63 55.653 55.806 -0.153 1
1 723 . 7 1 1 A 63 63 HIS HA H 63 4.784 5.027 -0.243 1
1 724 . 7 1 1 A 63 63 HIS CB C 63 29.357 34.162 -4.805 1
1 731 . 7 1 1 A 63 63 HIS C C 63 173.926 173.998 -0.072 1
1 732 . 7 1 1 A 64 64 GLU N N 64 119.741 118.564 1.177 1
1 733 . 7 1 1 A 64 64 GLU H H 64 8.681 8.741 -0.060 1
1 734 . 7 1 1 A 64 64 GLU CA C 64 53.989 55.303 -1.314 1
1 735 . 7 1 1 A 64 64 GLU HA H 64 5.835 5.136 0.699 1
1 736 . 7 1 1 A 64 64 GLU CB C 64 34.417 33.654 0.763 1
1 742 . 7 1 1 A 64 64 GLU C C 64 176.358 175.234 1.124 1
1 743 . 7 1 1 A 65 65 GLY N N 65 105.646 108.409 -2.763 1
1 744 . 7 1 1 A 65 65 GLY H H 65 8.399 8.342 0.057 1
1 745 . 7 1 1 A 65 65 GLY CA C 65 45.368 45.415 -0.047 1
1 746 . 7 1 1 A 65 65 GLY HA2 H 65 3.959 3.961 -0.002 1
1 747 . 7 1 1 A 65 65 GLY HA3 H 65 3.835 4.120 -0.285 1
1 748 . 7 1 1 A 65 65 GLY C C 65 170.819 171.620 -0.801 1
1 749 . 7 1 1 A 66 66 TYR N N 66 119.001 120.446 -1.445 1
1 750 . 7 1 1 A 66 66 TYR H H 66 8.863 8.665 0.198 1
1 751 . 7 1 1 A 66 66 TYR CA C 66 59.140 59.220 -0.080 1
1 752 . 7 1 1 A 66 66 TYR HA H 66 5.317 4.835 0.482 1
1 753 . 7 1 1 A 66 66 TYR CB C 66 40.974 39.154 1.820 1
1 764 . 7 1 1 A 66 66 TYR C C 66 176.158 175.994 0.164 1
1 765 . 7 1 1 A 67 67 VAL N N 67 112.145 117.952 -5.807 1
1 766 . 7 1 1 A 67 67 VAL H H 67 9.180 8.999 0.181 1
1 767 . 7 1 1 A 67 67 VAL CA C 67 57.686 58.244 -0.558 1
1 768 . 7 1 1 A 67 67 VAL HA H 67 4.803 4.956 -0.153 1
1 769 . 7 1 1 A 67 67 VAL CB C 67 33.564 34.242 -0.678 1
1 779 . 7 1 1 A 67 67 VAL C C 67 172.139 173.327 -1.188 1
1 780 . 7 1 1 A 68 68 PRO CA C 68 61.422 62.487 -1.065 1
1 781 . 7 1 1 A 68 68 PRO HA H 68 3.745 4.651 -0.906 1
1 782 . 7 1 1 A 68 68 PRO CB C 68 30.557 31.270 -0.713 1
1 791 . 7 1 1 A 68 68 PRO C C 68 178.674 177.316 1.358 1
1 792 . 7 1 1 A 69 69 SER N N 69 122.331 121.712 0.619 1
1 793 . 7 1 1 A 69 69 SER H H 69 7.791 8.424 -0.633 1
1 794 . 7 1 1 A 69 69 SER CA C 69 60.162 61.064 -0.902 1
1 795 . 7 1 1 A 69 69 SER HA H 69 2.790 3.837 -1.047 1
1 796 . 7 1 1 A 69 69 SER CB C 69 60.021 61.754 -1.733 1
1 799 . 7 1 1 A 69 69 SER C C 69 176.238 176.054 0.184 1
1 800 . 7 1 1 A 70 70 SER N N 70 114.849 116.376 -1.527 1
1 801 . 7 1 1 A 70 70 SER H H 70 7.812 7.842 -0.030 1
1 802 . 7 1 1 A 70 70 SER CA C 70 59.590 62.428 -2.838 1
1 803 . 7 1 1 A 70 70 SER HA H 70 4.095 4.029 0.066 1
1 804 . 7 1 1 A 70 70 SER CB C 70 62.885 62.861 0.024 1
1 807 . 7 1 1 A 70 70 SER C C 70 175.286 176.565 -1.279 1
1 808 . 7 1 1 A 71 71 TYR N N 71 122.244 119.228 3.016 1
1 809 . 7 1 1 A 71 71 TYR H H 71 7.593 8.171 -0.578 1
1 810 . 7 1 1 A 71 71 TYR CA C 71 58.102 60.349 -2.247 1
1 811 . 7 1 1 A 71 71 TYR HA H 71 4.496 4.390 0.106 1
1 812 . 7 1 1 A 71 71 TYR CB C 71 37.631 38.562 -0.931 1
1 823 . 7 1 1 A 71 71 TYR C C 71 174.002 176.557 -2.555 1
1 824 . 7 1 1 A 72 72 LEU N N 72 119.079 119.013 0.066 1
1 825 . 7 1 1 A 72 72 LEU H H 72 7.270 7.063 0.207 1
1 826 . 7 1 1 A 72 72 LEU CA C 72 53.625 55.423 -1.798 1
1 827 . 7 1 1 A 72 72 LEU HA H 72 5.388 4.458 0.930 1
1 828 . 7 1 1 A 72 72 LEU CB C 72 46.623 42.603 4.020 1
1 841 . 7 1 1 A 72 72 LEU C C 72 175.893 176.077 -0.184 1
1 842 . 7 1 1 A 73 73 VAL N N 73 116.343 118.792 -2.449 1
1 843 . 7 1 1 A 73 73 VAL H H 73 8.610 8.731 -0.121 1
1 844 . 7 1 1 A 73 73 VAL CA C 73 59.707 59.269 0.438 1
1 845 . 7 1 1 A 73 73 VAL HA H 73 4.601 4.774 -0.173 1
1 846 . 7 1 1 A 73 73 VAL CB C 73 35.811 35.270 0.541 1
1 856 . 7 1 1 A 73 73 VAL C C 73 174.186 174.438 -0.252 1
1 857 . 7 1 1 A 74 74 GLU N N 74 124.925 125.837 -0.912 1
1 858 . 7 1 1 A 74 74 GLU H H 74 8.845 8.500 0.345 1
1 859 . 7 1 1 A 74 74 GLU CA C 74 57.745 56.634 1.111 1
1 860 . 7 1 1 A 74 74 GLU HA H 74 4.363 4.419 -0.056 1
1 861 . 7 1 1 A 74 74 GLU CB C 74 30.164 30.191 -0.027 1
1 867 . 7 1 1 A 74 74 GLU C C 74 176.322 176.332 -0.010 1
1 868 . 7 1 1 A 75 75 LYS N N 75 125.959 129.776 -3.817 1
1 869 . 7 1 1 A 75 75 LYS H H 75 8.556 7.934 0.622 1
1 870 . 7 1 1 A 75 75 LYS CA C 75 57.115 57.370 -0.255 1
1 871 . 7 1 1 A 75 75 LYS HA H 75 4.157 4.266 -0.109 1
1 872 . 7 1 1 A 75 75 LYS CB C 75 33.626 33.049 0.577 1
1 884 . 7 1 1 A 75 75 LYS C C 75 175.944 176.356 -0.412 1
1 885 . 7 1 1 A 76 76 SER N N 76 121.519 123.369 -1.850 1
1 886 . 7 1 1 A 76 76 SER H H 76 8.576 8.696 -0.120 1
1 887 . 7 1 1 A 76 76 SER CA C 76 56.205 57.540 -1.335 1
1 888 . 7 1 1 A 76 76 SER HA H 76 4.809 4.568 0.241 1
1 889 . 7 1 1 A 76 76 SER CB C 76 63.582 62.513 1.069 1
1 891 . 7 1 1 A 76 76 SER C C 76 172.875 174.541 -1.666 1
1 892 . 7 1 1 A 77 77 PRO CA C 77 63.453 64.877 -1.424 1
1 893 . 7 1 1 A 77 77 PRO HA H 77 4.434 4.454 -0.020 1
1 894 . 7 1 1 A 77 77 PRO CB C 77 32.104 32.090 0.014 1
1 903 . 7 1 1 A 77 77 PRO C C 77 176.734 178.876 -2.142 1
1 904 . 7 1 1 A 78 78 ASN N N 78 118.087 115.558 2.529 1
1 905 . 7 1 1 A 78 78 ASN H H 78 8.434 8.125 0.309 1
1 906 . 7 1 1 A 78 78 ASN CA C 78 53.314 56.406 -3.092 1
1 907 . 7 1 1 A 78 78 ASN HA H 78 4.653 4.471 0.182 1
1 908 . 7 1 1 A 78 78 ASN CB C 78 38.823 38.366 0.457 1
1 914 . 7 1 1 A 78 78 ASN C C 78 174.985 175.651 -0.666 1
1 915 . 7 1 1 A 79 79 ASN N N 79 119.198 117.101 2.097 1
1 916 . 7 1 1 A 79 79 ASN H H 79 8.312 8.217 0.095 1
1 917 . 7 1 1 A 79 79 ASN CA C 79 53.379 53.954 -0.575 1
1 918 . 7 1 1 A 79 79 ASN HA H 79 4.696 4.378 0.318 1
1 919 . 7 1 1 A 79 79 ASN CB C 79 38.827 37.056 1.771 1
1 925 . 7 1 1 A 79 79 ASN C C 79 175.132 175.974 -0.842 1
1 926 . 7 1 1 A 80 80 LEU N N 80 122.154 116.413 5.741 1
1 927 . 7 1 1 A 80 80 LEU H H 80 8.195 8.070 0.125 1
1 928 . 7 1 1 A 80 80 LEU CA C 80 55.523 53.452 2.071 1
1 929 . 7 1 1 A 80 80 LEU HA H 80 4.305 4.640 -0.335 1
1 930 . 7 1 1 A 80 80 LEU CB C 80 42.304 41.473 0.831 1
1 943 . 7 1 1 A 80 80 LEU C C 80 177.461 176.076 1.385 1
1 944 . 7 1 1 A 81 81 GLU N N 81 121.156 120.283 0.873 1
1 945 . 7 1 1 A 81 81 GLU H H 81 8.341 7.726 0.615 1
1 946 . 7 1 1 A 81 81 GLU CA C 81 56.665 55.301 1.364 1
1 947 . 7 1 1 A 81 81 GLU HA H 81 4.253 4.570 -0.317 1
1 948 . 7 1 1 A 81 81 GLU CB C 81 30.219 29.934 0.285 1
1 954 . 7 1 1 A 81 81 GLU C C 81 176.365 174.492 1.873 1
1 955 . 7 1 1 A 82 82 THR N N 82 114.319 113.760 0.559 1
1 956 . 7 1 1 A 82 82 THR H H 82 7.970 7.908 0.062 1
1 957 . 7 1 1 A 82 82 THR CA C 82 61.517 60.776 0.741 1
1 958 . 7 1 1 A 82 82 THR HA H 82 4.211 4.375 -0.164 1
1 959 . 7 1 1 A 82 82 THR CB C 82 69.881 70.707 -0.826 1
1 965 . 7 1 1 A 82 82 THR C C 82 173.812 173.990 -0.178 1
1 966 . 7 1 1 A 83 83 TYR N N 83 122.614 121.202 1.412 1
1 967 . 7 1 1 A 83 83 TYR H H 83 8.076 8.799 -0.723 1
1 968 . 7 1 1 A 83 83 TYR CA C 83 57.640 58.140 -0.500 1
1 969 . 7 1 1 A 83 83 TYR HA H 83 4.444 4.914 -0.470 1
1 970 . 7 1 1 A 83 83 TYR CB C 83 38.964 39.871 -0.907 1
1 981 . 7 1 1 A 83 83 TYR C C 83 175.115 175.722 -0.607 1
1 982 . 7 1 1 A 84 84 GLU N N 84 122.790 122.808 -0.018 1
1 983 . 7 1 1 A 84 84 GLU H H 84 7.995 8.730 -0.735 1
1 984 . 7 1 1 A 84 84 GLU CA C 84 56.097 54.886 1.211 1
1 985 . 7 1 1 A 84 84 GLU HA H 84 4.227 4.728 -0.501 1
1 986 . 7 1 1 A 84 84 GLU CB C 84 30.506 30.022 0.484 1
1 992 . 7 1 1 A 84 84 GLU C C 84 174.707 176.263 -1.556 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.365 44.577 0.788 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.970 4.292 -0.322 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.824 4.295 -0.471 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.351 174.271 0.080 1
1 5 . 8 1 1 A 8 8 GLU N N 8 120.458 122.873 -2.415 1
1 6 . 8 1 1 A 8 8 GLU H H 8 8.288 8.772 -0.484 1
1 7 . 8 1 1 A 8 8 GLU CA C 8 56.663 57.339 -0.676 1
1 8 . 8 1 1 A 8 8 GLU HA H 8 4.254 4.561 -0.307 1
1 9 . 8 1 1 A 8 8 GLU CB C 8 30.248 31.064 -0.816 1
1 15 . 8 1 1 A 8 8 GLU C C 8 176.364 176.243 0.121 1
1 16 . 8 1 1 A 9 9 ASP N N 9 120.849 119.010 1.839 1
1 17 . 8 1 1 A 9 9 ASP H H 9 8.379 7.955 0.424 1
1 18 . 8 1 1 A 9 9 ASP CA C 9 54.402 52.964 1.438 1
1 19 . 8 1 1 A 9 9 ASP HA H 9 4.543 4.830 -0.287 1
1 20 . 8 1 1 A 9 9 ASP CB C 9 41.035 41.358 -0.323 1
1 23 . 8 1 1 A 9 9 ASP C C 9 176.003 176.897 -0.894 1
1 24 . 8 1 1 A 10 10 ASN N N 10 119.270 119.715 -0.445 1
1 25 . 8 1 1 A 10 10 ASN H H 10 8.303 8.040 0.263 1
1 26 . 8 1 1 A 10 10 ASN CA C 10 53.233 54.343 -1.110 1
1 27 . 8 1 1 A 10 10 ASN HA H 10 4.654 4.859 -0.205 1
1 28 . 8 1 1 A 10 10 ASN CB C 10 38.832 39.946 -1.114 1
1 34 . 8 1 1 A 10 10 ASN C C 10 175.079 174.916 0.163 1
1 35 . 8 1 1 A 11 11 ARG N N 11 120.795 117.364 3.431 1
1 36 . 8 1 1 A 11 11 ARG H H 11 8.132 7.754 0.378 1
1 37 . 8 1 1 A 11 11 ARG CA C 11 56.092 54.484 1.608 1
1 38 . 8 1 1 A 11 11 ARG HA H 11 4.257 4.780 -0.523 1
1 39 . 8 1 1 A 11 11 ARG CB C 11 30.721 32.313 -1.592 1
1 48 . 8 1 1 A 11 11 ARG C C 11 176.045 174.893 1.152 1
1 49 . 8 1 1 A 12 12 ARG N N 12 123.167 122.646 0.521 1
1 50 . 8 1 1 A 12 12 ARG H H 12 8.222 8.743 -0.521 1
1 51 . 8 1 1 A 12 12 ARG CA C 12 53.918 52.992 0.926 1
1 52 . 8 1 1 A 12 12 ARG HA H 12 4.506 4.937 -0.431 1
1 53 . 8 1 1 A 12 12 ARG CB C 12 29.923 33.996 -4.073 1
1 62 . 8 1 1 A 12 12 ARG C C 12 174.073 174.719 -0.646 1
1 63 . 8 1 1 A 13 13 PRO CA C 13 62.815 62.519 0.296 1
1 64 . 8 1 1 A 13 13 PRO HA H 13 4.255 4.729 -0.474 1
1 65 . 8 1 1 A 13 13 PRO CB C 13 31.903 33.532 -1.629 1
1 74 . 8 1 1 A 13 13 PRO C C 13 176.315 176.559 -0.244 1
1 75 . 8 1 1 A 14 14 LEU N N 14 122.009 119.698 2.311 1
1 76 . 8 1 1 A 14 14 LEU H H 14 8.090 8.858 -0.768 1
1 77 . 8 1 1 A 14 14 LEU CA C 14 55.286 55.639 -0.353 1
1 78 . 8 1 1 A 14 14 LEU HA H 14 4.065 4.261 -0.196 1
1 79 . 8 1 1 A 14 14 LEU CB C 14 42.258 42.626 -0.368 1
1 92 . 8 1 1 A 14 14 LEU C C 14 176.610 176.564 0.046 1
1 93 . 8 1 1 A 15 15 TRP N N 15 120.219 116.893 3.326 1
1 94 . 8 1 1 A 15 15 TRP H H 15 7.582 8.092 -0.510 1
1 95 . 8 1 1 A 15 15 TRP CA C 15 56.114 56.213 -0.099 1
1 96 . 8 1 1 A 15 15 TRP HA H 15 4.803 5.000 -0.197 1
1 97 . 8 1 1 A 15 15 TRP CB C 15 29.845 32.741 -2.896 1
1 112 . 8 1 1 A 15 15 TRP C C 15 176.093 176.183 -0.090 1
1 113 . 8 1 1 A 16 16 GLU N N 16 124.270 120.119 4.151 1
1 114 . 8 1 1 A 16 16 GLU H H 16 8.901 8.829 0.072 1
1 115 . 8 1 1 A 16 16 GLU CA C 16 54.729 54.225 0.504 1
1 116 . 8 1 1 A 16 16 GLU HA H 16 4.471 4.757 -0.286 1
1 117 . 8 1 1 A 16 16 GLU CB C 16 29.173 29.487 -0.314 1
1 123 . 8 1 1 A 16 16 GLU C C 16 175.525 176.428 -0.903 1
1 124 . 8 1 1 A 17 17 PRO CA C 17 64.535 65.533 -0.998 1
1 125 . 8 1 1 A 17 17 PRO HA H 17 4.306 4.323 -0.017 1
1 126 . 8 1 1 A 17 17 PRO CB C 17 32.105 31.917 0.188 1
1 135 . 8 1 1 A 17 17 PRO C C 17 177.261 178.012 -0.751 1
1 136 . 8 1 1 A 18 18 GLU N N 18 116.089 117.868 -1.779 1
1 137 . 8 1 1 A 18 18 GLU H H 18 8.459 8.320 0.139 1
1 138 . 8 1 1 A 18 18 GLU CA C 18 57.215 59.620 -2.405 1
1 139 . 8 1 1 A 18 18 GLU HA H 18 4.203 4.095 0.108 1
1 140 . 8 1 1 A 18 18 GLU CB C 18 29.321 29.214 0.107 1
1 146 . 8 1 1 A 18 18 GLU C C 18 176.941 177.308 -0.367 1
1 147 . 8 1 1 A 19 19 GLU N N 19 120.173 119.196 0.977 1
1 148 . 8 1 1 A 19 19 GLU H H 19 7.861 7.931 -0.070 1
1 149 . 8 1 1 A 19 19 GLU CA C 19 56.170 56.723 -0.553 1
1 150 . 8 1 1 A 19 19 GLU HA H 19 4.257 4.426 -0.169 1
1 151 . 8 1 1 A 19 19 GLU CB C 19 30.012 30.138 -0.126 1
1 157 . 8 1 1 A 19 19 GLU C C 19 176.182 176.215 -0.033 1
1 158 . 8 1 1 A 20 20 THR N N 20 120.847 117.123 3.724 1
1 159 . 8 1 1 A 20 20 THR H H 20 9.010 8.559 0.451 1
1 160 . 8 1 1 A 20 20 THR CA C 20 63.200 62.844 0.356 1
1 161 . 8 1 1 A 20 20 THR HA H 20 4.188 4.564 -0.376 1
1 162 . 8 1 1 A 20 20 THR CB C 20 69.394 68.931 0.463 1
1 168 . 8 1 1 A 20 20 THR C C 20 172.501 174.123 -1.622 1
1 169 . 8 1 1 A 21 21 VAL N N 21 128.753 127.583 1.170 1
1 170 . 8 1 1 A 21 21 VAL H H 21 8.497 8.683 -0.186 1
1 171 . 8 1 1 A 21 21 VAL CA C 21 61.422 60.680 0.742 1
1 172 . 8 1 1 A 21 21 VAL HA H 21 4.546 4.666 -0.120 1
1 173 . 8 1 1 A 21 21 VAL CB C 21 33.236 33.897 -0.661 1
1 183 . 8 1 1 A 21 21 VAL C C 21 175.700 175.486 0.214 1
1 184 . 8 1 1 A 22 22 VAL N N 22 119.061 121.560 -2.499 1
1 185 . 8 1 1 A 22 22 VAL H H 22 9.159 9.146 0.013 1
1 186 . 8 1 1 A 22 22 VAL CA C 22 57.799 59.008 -1.209 1
1 187 . 8 1 1 A 22 22 VAL HA H 22 5.187 5.394 -0.207 1
1 188 . 8 1 1 A 22 22 VAL CB C 22 35.307 34.817 0.490 1
1 198 . 8 1 1 A 22 22 VAL C C 22 173.461 174.430 -0.969 1
1 199 . 8 1 1 A 23 23 ILE N N 23 120.660 122.855 -2.195 1
1 200 . 8 1 1 A 23 23 ILE H H 23 9.354 9.248 0.106 1
1 201 . 8 1 1 A 23 23 ILE CA C 23 58.793 59.654 -0.861 1
1 202 . 8 1 1 A 23 23 ILE HA H 23 5.082 5.062 0.020 1
1 203 . 8 1 1 A 23 23 ILE CB C 23 41.289 41.393 -0.104 1
1 216 . 8 1 1 A 23 23 ILE C C 23 176.270 174.644 1.626 1
1 217 . 8 1 1 A 24 24 ALA N N 24 125.421 128.343 -2.922 1
1 218 . 8 1 1 A 24 24 ALA H H 24 8.184 8.354 -0.170 1
1 219 . 8 1 1 A 24 24 ALA CA C 24 51.461 51.273 0.188 1
1 220 . 8 1 1 A 24 24 ALA HA H 24 4.982 4.932 0.050 1
1 221 . 8 1 1 A 24 24 ALA CB C 24 20.231 20.048 0.183 1
1 225 . 8 1 1 A 24 24 ALA C C 24 178.664 178.369 0.295 1
1 226 . 8 1 1 A 25 25 LEU N N 25 126.185 125.487 0.698 1
1 227 . 8 1 1 A 25 25 LEU H H 25 9.388 8.900 0.488 1
1 228 . 8 1 1 A 25 25 LEU CA C 25 55.799 56.471 -0.672 1
1 229 . 8 1 1 A 25 25 LEU HA H 25 3.875 3.862 0.013 1
1 230 . 8 1 1 A 25 25 LEU CB C 25 43.786 41.763 2.023 1
1 243 . 8 1 1 A 25 25 LEU C C 25 175.686 176.400 -0.714 1
1 244 . 8 1 1 A 26 26 TYR N N 26 110.488 115.757 -5.269 1
1 245 . 8 1 1 A 26 26 TYR H H 26 6.878 7.731 -0.853 1
1 246 . 8 1 1 A 26 26 TYR CA C 26 53.575 56.403 -2.828 1
1 247 . 8 1 1 A 26 26 TYR HA H 26 4.744 5.143 -0.399 1
1 248 . 8 1 1 A 26 26 TYR CB C 26 42.393 42.745 -0.352 1
1 259 . 8 1 1 A 26 26 TYR C C 26 173.800 173.780 0.020 1
1 260 . 8 1 1 A 27 27 ASP N N 27 117.327 121.339 -4.012 1
1 261 . 8 1 1 A 27 27 ASP H H 27 8.278 8.992 -0.714 1
1 262 . 8 1 1 A 27 27 ASP CA C 27 54.522 53.101 1.421 1
1 263 . 8 1 1 A 27 27 ASP HA H 27 4.639 5.293 -0.654 1
1 264 . 8 1 1 A 27 27 ASP CB C 27 41.944 40.653 1.291 1
1 267 . 8 1 1 A 27 27 ASP C C 27 176.000 174.708 1.292 1
1 268 . 8 1 1 A 28 28 TYR N N 28 121.747 126.421 -4.674 1
1 269 . 8 1 1 A 28 28 TYR H H 28 8.724 9.283 -0.559 1
1 270 . 8 1 1 A 28 28 TYR CA C 28 57.938 59.451 -1.513 1
1 271 . 8 1 1 A 28 28 TYR HA H 28 4.934 4.767 0.167 1
1 272 . 8 1 1 A 28 28 TYR CB C 28 42.161 39.198 2.963 1
1 283 . 8 1 1 A 28 28 TYR C C 28 173.834 174.890 -1.056 1
1 284 . 8 1 1 A 29 29 GLN N N 29 126.180 121.590 4.590 1
1 285 . 8 1 1 A 29 29 GLN H H 29 7.959 7.926 0.033 1
1 286 . 8 1 1 A 29 29 GLN CA C 29 54.153 53.668 0.485 1
1 287 . 8 1 1 A 29 29 GLN HA H 29 4.507 4.939 -0.432 1
1 288 . 8 1 1 A 29 29 GLN CB C 29 29.854 32.651 -2.797 1
1 297 . 8 1 1 A 29 29 GLN C C 29 173.966 173.380 0.586 1
1 298 . 8 1 1 A 30 30 THR N N 30 115.009 113.905 1.104 1
1 299 . 8 1 1 A 30 30 THR H H 30 7.982 8.414 -0.432 1
1 300 . 8 1 1 A 30 30 THR CA C 30 59.769 59.775 -0.006 1
1 301 . 8 1 1 A 30 30 THR HA H 30 4.319 4.915 -0.596 1
1 302 . 8 1 1 A 30 30 THR CB C 30 69.002 71.003 -2.001 1
1 308 . 8 1 1 A 30 30 THR C C 30 172.388 173.922 -1.534 1
1 309 . 8 1 1 A 31 31 ASN N N 31 121.715 123.381 -1.666 1
1 310 . 8 1 1 A 31 31 ASN H H 31 8.702 8.783 -0.081 1
1 311 . 8 1 1 A 31 31 ASN CA C 31 52.449 54.144 -1.695 1
1 312 . 8 1 1 A 31 31 ASN HA H 31 4.787 4.673 0.114 1
1 313 . 8 1 1 A 31 31 ASN CB C 31 39.822 39.541 0.281 1
1 319 . 8 1 1 A 31 31 ASN C C 31 174.579 174.776 -0.197 1
1 320 . 8 1 1 A 32 32 ASP N N 32 124.854 119.475 5.379 1
1 321 . 8 1 1 A 32 32 ASP H H 32 8.333 7.299 1.034 1
1 322 . 8 1 1 A 32 32 ASP CA C 32 51.996 52.353 -0.357 1
1 323 . 8 1 1 A 32 32 ASP HA H 32 4.827 4.814 0.013 1
1 324 . 8 1 1 A 32 32 ASP CB C 32 43.075 40.477 2.598 1
1 327 . 8 1 1 A 32 32 ASP C C 32 176.135 175.703 0.432 1
1 328 . 8 1 1 A 33 33 PRO CA C 33 64.451 65.115 -0.664 1
1 329 . 8 1 1 A 33 33 PRO HA H 33 4.490 4.287 0.203 1
1 330 . 8 1 1 A 33 33 PRO CB C 33 32.425 31.900 0.525 1
1 339 . 8 1 1 A 33 33 PRO C C 33 177.612 178.874 -1.262 1
1 340 . 8 1 1 A 34 34 GLN N N 34 116.032 117.676 -1.644 1
1 341 . 8 1 1 A 34 34 GLN H H 34 8.906 8.796 0.110 1
1 342 . 8 1 1 A 34 34 GLN CA C 34 56.080 59.336 -3.256 1
1 343 . 8 1 1 A 34 34 GLN HA H 34 4.559 4.013 0.546 1
1 344 . 8 1 1 A 34 34 GLN CB C 34 29.488 28.292 1.196 1
1 353 . 8 1 1 A 34 34 GLN C C 34 176.811 176.922 -0.111 1
1 354 . 8 1 1 A 35 35 GLU N N 35 120.585 117.376 3.209 1
1 355 . 8 1 1 A 35 35 GLU H H 35 7.905 7.874 0.031 1
1 356 . 8 1 1 A 35 35 GLU CA C 35 55.147 55.891 -0.744 1
1 357 . 8 1 1 A 35 35 GLU HA H 35 5.370 4.570 0.800 1
1 358 . 8 1 1 A 35 35 GLU CB C 35 33.394 30.476 2.918 1
1 364 . 8 1 1 A 35 35 GLU C C 35 174.508 175.081 -0.573 1
1 365 . 8 1 1 A 36 36 LEU N N 36 122.127 124.390 -2.263 1
1 366 . 8 1 1 A 36 36 LEU H H 36 7.553 8.514 -0.961 1
1 367 . 8 1 1 A 36 36 LEU CA C 36 53.375 53.557 -0.182 1
1 368 . 8 1 1 A 36 36 LEU HA H 36 4.415 5.272 -0.857 1
1 369 . 8 1 1 A 36 36 LEU CB C 36 45.685 45.860 -0.175 1
1 382 . 8 1 1 A 36 36 LEU C C 36 173.533 174.939 -1.406 1
1 383 . 8 1 1 A 37 37 ALA N N 37 124.419 128.803 -4.384 1
1 384 . 8 1 1 A 37 37 ALA H H 37 7.813 8.738 -0.925 1
1 385 . 8 1 1 A 37 37 ALA CA C 37 51.854 50.887 0.967 1
1 386 . 8 1 1 A 37 37 ALA HA H 37 4.581 4.815 -0.234 1
1 387 . 8 1 1 A 37 37 ALA CB C 37 19.371 19.800 -0.429 1
1 391 . 8 1 1 A 37 37 ALA C C 37 177.822 177.399 0.423 1
1 392 . 8 1 1 A 38 38 LEU N N 38 116.787 124.171 -7.384 1
1 393 . 8 1 1 A 38 38 LEU H H 38 8.656 8.781 -0.125 1
1 394 . 8 1 1 A 38 38 LEU CA C 38 52.952 55.330 -2.378 1
1 395 . 8 1 1 A 38 38 LEU HA H 38 5.026 4.199 0.827 1
1 396 . 8 1 1 A 38 38 LEU CB C 38 45.223 42.387 2.836 1
1 409 . 8 1 1 A 38 38 LEU C C 38 177.842 176.420 1.422 1
1 410 . 8 1 1 A 39 39 ARG N N 39 123.462 121.982 1.480 1
1 411 . 8 1 1 A 39 39 ARG H H 39 8.333 8.883 -0.550 1
1 412 . 8 1 1 A 39 39 ARG CA C 39 53.731 54.241 -0.510 1
1 413 . 8 1 1 A 39 39 ARG HA H 39 4.977 5.217 -0.240 1
1 414 . 8 1 1 A 39 39 ARG CB C 39 32.431 34.055 -1.624 1
1 423 . 8 1 1 A 39 39 ARG C C 39 174.595 175.275 -0.680 1
1 424 . 8 1 1 A 40 40 ARG N N 40 123.974 126.915 -2.941 1
1 425 . 8 1 1 A 40 40 ARG H H 40 8.899 8.762 0.137 1
1 426 . 8 1 1 A 40 40 ARG CA C 40 58.302 57.567 0.735 1
1 427 . 8 1 1 A 40 40 ARG HA H 40 3.350 4.052 -0.702 1
1 428 . 8 1 1 A 40 40 ARG CB C 40 30.480 30.285 0.195 1
1 437 . 8 1 1 A 40 40 ARG C C 40 176.432 177.038 -0.606 1
1 438 . 8 1 1 A 41 41 ASN N N 41 117.655 119.706 -2.051 1
1 439 . 8 1 1 A 41 41 ASN H H 41 9.246 8.702 0.544 1
1 440 . 8 1 1 A 41 41 ASN CA C 41 55.859 54.300 1.559 1
1 441 . 8 1 1 A 41 41 ASN HA H 41 4.227 4.328 -0.101 1
1 442 . 8 1 1 A 41 41 ASN CB C 41 37.555 37.113 0.442 1
1 448 . 8 1 1 A 41 41 ASN C C 41 174.318 173.941 0.377 1
1 449 . 8 1 1 A 42 42 GLU N N 42 122.758 117.198 5.560 1
1 450 . 8 1 1 A 42 42 GLU H H 42 8.419 7.828 0.591 1
1 451 . 8 1 1 A 42 42 GLU CA C 42 56.625 55.044 1.581 1
1 452 . 8 1 1 A 42 42 GLU HA H 42 4.445 4.762 -0.317 1
1 453 . 8 1 1 A 42 42 GLU CB C 42 29.887 32.831 -2.944 1
1 459 . 8 1 1 A 42 42 GLU C C 42 173.885 175.301 -1.416 1
1 460 . 8 1 1 A 43 43 GLU N N 43 119.431 123.874 -4.443 1
1 461 . 8 1 1 A 43 43 GLU H H 43 7.901 8.851 -0.950 1
1 462 . 8 1 1 A 43 43 GLU CA C 43 54.997 56.458 -1.461 1
1 463 . 8 1 1 A 43 43 GLU HA H 43 5.106 4.690 0.416 1
1 464 . 8 1 1 A 43 43 GLU CB C 43 32.392 30.451 1.941 1
1 470 . 8 1 1 A 43 43 GLU C C 43 175.285 175.611 -0.326 1
1 471 . 8 1 1 A 44 44 TYR N N 44 118.011 119.434 -1.423 1
1 472 . 8 1 1 A 44 44 TYR H H 44 9.196 8.928 0.268 1
1 473 . 8 1 1 A 44 44 TYR CA C 44 56.847 56.473 0.374 1
1 474 . 8 1 1 A 44 44 TYR HA H 44 4.708 4.690 0.018 1
1 475 . 8 1 1 A 44 44 TYR CB C 44 42.218 42.446 -0.228 1
1 486 . 8 1 1 A 44 44 TYR C C 44 173.315 174.630 -1.315 1
1 487 . 8 1 1 A 45 45 CYS N N 45 120.674 122.384 -1.710 1
1 488 . 8 1 1 A 45 45 CYS H H 45 8.803 8.180 0.623 1
1 489 . 8 1 1 A 45 45 CYS CA C 45 57.318 58.500 -1.182 1
1 490 . 8 1 1 A 45 45 CYS HA H 45 4.425 4.756 -0.331 1
1 491 . 8 1 1 A 45 45 CYS CB C 45 27.610 28.146 -0.536 1
1 494 . 8 1 1 A 45 45 CYS C C 45 174.817 174.124 0.693 1
1 495 . 8 1 1 A 46 46 LEU N N 46 129.242 126.629 2.613 1
1 496 . 8 1 1 A 46 46 LEU H H 46 8.803 8.128 0.675 1
1 497 . 8 1 1 A 46 46 LEU CA C 46 55.404 54.336 1.068 1
1 498 . 8 1 1 A 46 46 LEU HA H 46 4.224 4.517 -0.293 1
1 499 . 8 1 1 A 46 46 LEU CB C 46 42.929 41.959 0.970 1
1 512 . 8 1 1 A 46 46 LEU C C 46 174.895 175.699 -0.804 1
1 513 . 8 1 1 A 47 47 LEU N N 47 127.172 128.805 -1.633 1
1 514 . 8 1 1 A 47 47 LEU H H 47 8.780 8.763 0.017 1
1 515 . 8 1 1 A 47 47 LEU CA C 47 55.322 57.326 -2.004 1
1 516 . 8 1 1 A 47 47 LEU HA H 47 4.478 4.120 0.358 1
1 517 . 8 1 1 A 47 47 LEU CB C 47 42.904 42.469 0.435 1
1 530 . 8 1 1 A 47 47 LEU C C 47 177.543 176.387 1.156 1
1 531 . 8 1 1 A 48 48 ASP N N 48 115.262 116.299 -1.037 1
1 532 . 8 1 1 A 48 48 ASP H H 48 7.516 7.854 -0.338 1
1 533 . 8 1 1 A 48 48 ASP CA C 48 54.649 53.014 1.635 1
1 534 . 8 1 1 A 48 48 ASP HA H 48 4.754 4.862 -0.108 1
1 535 . 8 1 1 A 48 48 ASP CB C 48 43.524 44.177 -0.653 1
1 538 . 8 1 1 A 48 48 ASP C C 48 175.044 175.364 -0.320 1
1 539 . 8 1 1 A 49 49 SER N N 49 123.571 119.492 4.079 1
1 540 . 8 1 1 A 49 49 SER H H 49 8.911 8.244 0.667 1
1 541 . 8 1 1 A 49 49 SER CA C 49 56.641 56.837 -0.196 1
1 542 . 8 1 1 A 49 49 SER HA H 49 4.019 4.252 -0.233 1
1 543 . 8 1 1 A 49 49 SER CB C 49 62.018 62.187 -0.169 1
1 546 . 8 1 1 A 49 49 SER C C 49 173.953 175.563 -1.610 1
1 547 . 8 1 1 A 50 50 SER N N 50 118.555 117.446 1.109 1
1 548 . 8 1 1 A 50 50 SER H H 50 8.528 7.991 0.537 1
1 549 . 8 1 1 A 50 50 SER CA C 50 61.824 61.717 0.107 1
1 550 . 8 1 1 A 50 50 SER HA H 50 4.050 4.045 0.005 1
1 551 . 8 1 1 A 50 50 SER CB C 50 63.334 63.081 0.253 1
1 554 . 8 1 1 A 50 50 SER C C 50 175.507 174.767 0.740 1
1 555 . 8 1 1 A 51 51 GLU N N 51 123.653 120.336 3.317 1
1 556 . 8 1 1 A 51 51 GLU H H 51 8.756 8.159 0.597 1
1 557 . 8 1 1 A 51 51 GLU CA C 51 55.391 56.218 -0.827 1
1 558 . 8 1 1 A 51 51 GLU HA H 51 4.690 4.581 0.109 1
1 559 . 8 1 1 A 51 51 GLU CB C 51 30.112 31.300 -1.188 1
1 565 . 8 1 1 A 51 51 GLU C C 51 176.574 176.300 0.274 1
1 566 . 8 1 1 A 52 52 ILE N N 52 117.495 121.552 -4.057 1
1 567 . 8 1 1 A 52 52 ILE H H 52 8.223 8.690 -0.467 1
1 568 . 8 1 1 A 52 52 ILE CA C 52 64.478 62.988 1.490 1
1 569 . 8 1 1 A 52 52 ILE HA H 52 3.946 4.355 -0.409 1
1 570 . 8 1 1 A 52 52 ILE CB C 52 38.365 38.537 -0.172 1
1 583 . 8 1 1 A 52 52 ILE C C 52 178.681 177.490 1.191 1
1 584 . 8 1 1 A 53 53 HIS N N 53 116.338 116.667 -0.329 1
1 585 . 8 1 1 A 53 53 HIS H H 53 8.529 7.630 0.899 1
1 586 . 8 1 1 A 53 53 HIS CA C 53 57.974 58.793 -0.819 1
1 587 . 8 1 1 A 53 53 HIS HA H 53 4.332 4.009 0.323 1
1 588 . 8 1 1 A 53 53 HIS CB C 53 31.646 30.237 1.409 1
1 595 . 8 1 1 A 53 53 HIS C C 53 175.678 174.524 1.154 1
1 596 . 8 1 1 A 54 54 TRP N N 54 120.664 117.086 3.578 1
1 597 . 8 1 1 A 54 54 TRP H H 54 7.298 7.802 -0.504 1
1 598 . 8 1 1 A 54 54 TRP CA C 54 55.972 55.517 0.455 1
1 599 . 8 1 1 A 54 54 TRP HA H 54 5.142 5.412 -0.270 1
1 600 . 8 1 1 A 54 54 TRP CB C 54 31.957 31.610 0.347 1
1 615 . 8 1 1 A 54 54 TRP C C 54 174.289 175.516 -1.227 1
1 616 . 8 1 1 A 55 55 TRP N N 55 124.636 123.917 0.719 1
1 617 . 8 1 1 A 55 55 TRP H H 55 9.260 9.168 0.092 1
1 618 . 8 1 1 A 55 55 TRP CA C 55 53.365 55.484 -2.119 1
1 619 . 8 1 1 A 55 55 TRP HA H 55 5.503 5.252 0.251 1
1 620 . 8 1 1 A 55 55 TRP CB C 55 32.591 32.522 0.069 1
1 635 . 8 1 1 A 55 55 TRP C C 55 174.620 175.631 -1.011 1
1 636 . 8 1 1 A 56 56 ARG N N 56 122.963 124.705 -1.742 1
1 637 . 8 1 1 A 56 56 ARG H H 56 8.876 9.066 -0.190 1
1 638 . 8 1 1 A 56 56 ARG CA C 56 55.250 55.762 -0.512 1
1 639 . 8 1 1 A 56 56 ARG HA H 56 4.716 5.008 -0.292 1
1 640 . 8 1 1 A 56 56 ARG CB C 56 32.705 31.306 1.399 1
1 651 . 8 1 1 A 56 56 ARG C C 56 175.777 176.179 -0.402 1
1 652 . 8 1 1 A 57 57 VAL N N 57 119.683 120.502 -0.819 1
1 653 . 8 1 1 A 57 57 VAL H H 57 8.784 8.656 0.128 1
1 654 . 8 1 1 A 57 57 VAL CA C 57 58.632 59.083 -0.451 1
1 655 . 8 1 1 A 57 57 VAL HA H 57 5.356 5.482 -0.126 1
1 656 . 8 1 1 A 57 57 VAL CB C 57 36.354 35.850 0.504 1
1 666 . 8 1 1 A 57 57 VAL C C 57 172.758 173.776 -1.018 1
1 667 . 8 1 1 A 58 58 GLN N N 58 118.904 120.729 -1.825 1
1 668 . 8 1 1 A 58 58 GLN H H 58 8.911 8.787 0.124 1
1 669 . 8 1 1 A 58 58 GLN CA C 58 53.324 54.308 -0.984 1
1 670 . 8 1 1 A 58 58 GLN HA H 58 5.677 5.209 0.468 1
1 671 . 8 1 1 A 58 58 GLN CB C 58 35.149 32.643 2.506 1
1 680 . 8 1 1 A 58 58 GLN C C 58 175.711 174.453 1.258 1
1 681 . 8 1 1 A 59 59 ASP N N 59 125.232 126.841 -1.609 1
1 682 . 8 1 1 A 59 59 ASP H H 59 9.274 9.261 0.013 1
1 683 . 8 1 1 A 59 59 ASP CA C 59 52.577 54.003 -1.426 1
1 684 . 8 1 1 A 59 59 ASP HA H 59 5.257 4.819 0.438 1
1 685 . 8 1 1 A 59 59 ASP CB C 59 43.563 42.148 1.415 1
1 688 . 8 1 1 A 59 59 ASP C C 59 178.615 177.214 1.401 1
1 689 . 8 1 1 A 60 60 ARG N N 60 117.439 125.668 -8.229 1
1 690 . 8 1 1 A 60 60 ARG H H 60 9.177 8.905 0.272 1
1 691 . 8 1 1 A 60 60 ARG CA C 60 57.908 59.658 -1.750 1
1 692 . 8 1 1 A 60 60 ARG HA H 60 3.987 3.951 0.036 1
1 693 . 8 1 1 A 60 60 ARG CB C 60 29.590 29.684 -0.094 1
1 702 . 8 1 1 A 60 60 ARG C C 60 176.395 177.871 -1.476 1
1 703 . 8 1 1 A 61 61 ASN N N 61 117.081 114.886 2.195 1
1 704 . 8 1 1 A 61 61 ASN H H 61 8.294 7.961 0.333 1
1 705 . 8 1 1 A 61 61 ASN CA C 61 53.024 54.615 -1.591 1
1 706 . 8 1 1 A 61 61 ASN HA H 61 4.852 4.452 0.400 1
1 707 . 8 1 1 A 61 61 ASN CB C 61 39.662 38.623 1.039 1
1 713 . 8 1 1 A 61 61 ASN C C 61 175.197 175.379 -0.182 1
1 714 . 8 1 1 A 62 62 GLY N N 62 107.804 106.020 1.784 1
1 715 . 8 1 1 A 62 62 GLY H H 62 8.195 7.091 1.104 1
1 716 . 8 1 1 A 62 62 GLY CA C 62 45.423 45.056 0.367 1
1 717 . 8 1 1 A 62 62 GLY HA2 H 62 3.551 4.079 -0.528 1
1 718 . 8 1 1 A 62 62 GLY HA3 H 62 4.225 4.097 0.128 1
1 719 . 8 1 1 A 62 62 GLY C C 62 174.475 174.383 0.092 1
1 720 . 8 1 1 A 63 63 HIS N N 63 122.780 118.195 4.585 1
1 721 . 8 1 1 A 63 63 HIS H H 63 8.615 7.760 0.855 1
1 722 . 8 1 1 A 63 63 HIS CA C 63 55.653 55.585 0.068 1
1 723 . 8 1 1 A 63 63 HIS HA H 63 4.784 4.729 0.055 1
1 724 . 8 1 1 A 63 63 HIS CB C 63 29.357 31.071 -1.714 1
1 731 . 8 1 1 A 63 63 HIS C C 63 173.926 174.632 -0.706 1
1 732 . 8 1 1 A 64 64 GLU N N 64 119.741 123.169 -3.428 1
1 733 . 8 1 1 A 64 64 GLU H H 64 8.681 8.755 -0.074 1
1 734 . 8 1 1 A 64 64 GLU CA C 64 53.989 55.069 -1.080 1
1 735 . 8 1 1 A 64 64 GLU HA H 64 5.835 5.299 0.536 1
1 736 . 8 1 1 A 64 64 GLU CB C 64 34.417 32.538 1.879 1
1 742 . 8 1 1 A 64 64 GLU C C 64 176.358 175.587 0.771 1
1 743 . 8 1 1 A 65 65 GLY N N 65 105.646 108.588 -2.942 1
1 744 . 8 1 1 A 65 65 GLY H H 65 8.399 8.275 0.124 1
1 745 . 8 1 1 A 65 65 GLY CA C 65 45.368 44.928 0.440 1
1 746 . 8 1 1 A 65 65 GLY HA2 H 65 3.959 3.923 0.036 1
1 747 . 8 1 1 A 65 65 GLY HA3 H 65 3.835 4.102 -0.267 1
1 748 . 8 1 1 A 65 65 GLY C C 65 170.819 171.191 -0.372 1
1 749 . 8 1 1 A 66 66 TYR N N 66 119.001 120.201 -1.200 1
1 750 . 8 1 1 A 66 66 TYR H H 66 8.863 7.815 1.048 1
1 751 . 8 1 1 A 66 66 TYR CA C 66 59.140 58.104 1.036 1
1 752 . 8 1 1 A 66 66 TYR HA H 66 5.317 5.088 0.229 1
1 753 . 8 1 1 A 66 66 TYR CB C 66 40.974 40.121 0.853 1
1 764 . 8 1 1 A 66 66 TYR C C 66 176.158 175.922 0.236 1
1 765 . 8 1 1 A 67 67 VAL N N 67 112.145 117.646 -5.501 1
1 766 . 8 1 1 A 67 67 VAL H H 67 9.180 8.706 0.474 1
1 767 . 8 1 1 A 67 67 VAL CA C 67 57.686 58.169 -0.483 1
1 768 . 8 1 1 A 67 67 VAL HA H 67 4.803 4.969 -0.166 1
1 769 . 8 1 1 A 67 67 VAL CB C 67 33.564 34.445 -0.881 1
1 779 . 8 1 1 A 67 67 VAL C C 67 172.139 173.197 -1.058 1
1 780 . 8 1 1 A 68 68 PRO CA C 68 61.422 62.421 -0.999 1
1 781 . 8 1 1 A 68 68 PRO HA H 68 3.745 4.478 -0.733 1
1 782 . 8 1 1 A 68 68 PRO CB C 68 30.557 31.190 -0.633 1
1 791 . 8 1 1 A 68 68 PRO C C 68 178.674 177.271 1.403 1
1 792 . 8 1 1 A 69 69 SER N N 69 122.331 121.413 0.918 1
1 793 . 8 1 1 A 69 69 SER H H 69 7.791 8.353 -0.562 1
1 794 . 8 1 1 A 69 69 SER CA C 69 60.162 61.127 -0.965 1
1 795 . 8 1 1 A 69 69 SER HA H 69 2.790 3.886 -1.096 1
1 796 . 8 1 1 A 69 69 SER CB C 69 60.021 61.891 -1.870 1
1 799 . 8 1 1 A 69 69 SER C C 69 176.238 176.024 0.214 1
1 800 . 8 1 1 A 70 70 SER N N 70 114.849 117.067 -2.218 1
1 801 . 8 1 1 A 70 70 SER H H 70 7.812 8.071 -0.259 1
1 802 . 8 1 1 A 70 70 SER CA C 70 59.590 61.378 -1.788 1
1 803 . 8 1 1 A 70 70 SER HA H 70 4.095 3.916 0.179 1
1 804 . 8 1 1 A 70 70 SER CB C 70 62.885 63.163 -0.278 1
1 807 . 8 1 1 A 70 70 SER C C 70 175.286 176.882 -1.596 1
1 808 . 8 1 1 A 71 71 TYR N N 71 122.244 117.844 4.400 1
1 809 . 8 1 1 A 71 71 TYR H H 71 7.593 8.232 -0.639 1
1 810 . 8 1 1 A 71 71 TYR CA C 71 58.102 60.303 -2.201 1
1 811 . 8 1 1 A 71 71 TYR HA H 71 4.496 4.398 0.098 1
1 812 . 8 1 1 A 71 71 TYR CB C 71 37.631 38.889 -1.258 1
1 823 . 8 1 1 A 71 71 TYR C C 71 174.002 176.474 -2.472 1
1 824 . 8 1 1 A 72 72 LEU N N 72 119.079 119.705 -0.626 1
1 825 . 8 1 1 A 72 72 LEU H H 72 7.270 7.160 0.110 1
1 826 . 8 1 1 A 72 72 LEU CA C 72 53.625 56.002 -2.377 1
1 827 . 8 1 1 A 72 72 LEU HA H 72 5.388 4.579 0.809 1
1 828 . 8 1 1 A 72 72 LEU CB C 72 46.623 42.686 3.937 1
1 841 . 8 1 1 A 72 72 LEU C C 72 175.893 176.378 -0.485 1
1 842 . 8 1 1 A 73 73 VAL N N 73 116.343 118.503 -2.160 1
1 843 . 8 1 1 A 73 73 VAL H H 73 8.610 8.819 -0.209 1
1 844 . 8 1 1 A 73 73 VAL CA C 73 59.707 59.296 0.411 1
1 845 . 8 1 1 A 73 73 VAL HA H 73 4.601 4.777 -0.176 1
1 846 . 8 1 1 A 73 73 VAL CB C 73 35.811 35.574 0.237 1
1 856 . 8 1 1 A 73 73 VAL C C 73 174.186 174.356 -0.170 1
1 857 . 8 1 1 A 74 74 GLU N N 74 124.925 125.588 -0.663 1
1 858 . 8 1 1 A 74 74 GLU H H 74 8.845 8.548 0.297 1
1 859 . 8 1 1 A 74 74 GLU CA C 74 57.745 56.890 0.855 1
1 860 . 8 1 1 A 74 74 GLU HA H 74 4.363 4.404 -0.041 1
1 861 . 8 1 1 A 74 74 GLU CB C 74 30.164 29.856 0.308 1
1 867 . 8 1 1 A 74 74 GLU C C 74 176.322 176.358 -0.036 1
1 868 . 8 1 1 A 75 75 LYS N N 75 125.959 129.355 -3.396 1
1 869 . 8 1 1 A 75 75 LYS H H 75 8.556 8.077 0.479 1
1 870 . 8 1 1 A 75 75 LYS CA C 75 57.115 57.019 0.096 1
1 871 . 8 1 1 A 75 75 LYS HA H 75 4.157 4.335 -0.178 1
1 872 . 8 1 1 A 75 75 LYS CB C 75 33.626 32.644 0.982 1
1 884 . 8 1 1 A 75 75 LYS C C 75 175.944 176.408 -0.464 1
1 885 . 8 1 1 A 76 76 SER N N 76 121.519 122.012 -0.493 1
1 886 . 8 1 1 A 76 76 SER H H 76 8.576 8.706 -0.130 1
1 887 . 8 1 1 A 76 76 SER CA C 76 56.205 56.102 0.103 1
1 888 . 8 1 1 A 76 76 SER HA H 76 4.809 4.629 0.180 1
1 889 . 8 1 1 A 76 76 SER CB C 76 63.582 63.525 0.057 1
1 891 . 8 1 1 A 76 76 SER C C 76 172.875 174.666 -1.791 1
1 892 . 8 1 1 A 77 77 PRO CA C 77 63.453 64.438 -0.985 1
1 893 . 8 1 1 A 77 77 PRO HA H 77 4.434 4.423 0.011 1
1 894 . 8 1 1 A 77 77 PRO CB C 77 32.104 32.303 -0.199 1
1 903 . 8 1 1 A 77 77 PRO C C 77 176.734 175.933 0.801 1
1 904 . 8 1 1 A 78 78 ASN N N 78 118.087 111.458 6.629 1
1 905 . 8 1 1 A 78 78 ASN H H 78 8.434 7.799 0.635 1
1 906 . 8 1 1 A 78 78 ASN CA C 78 53.314 51.749 1.565 1
1 907 . 8 1 1 A 78 78 ASN HA H 78 4.653 5.028 -0.375 1
1 908 . 8 1 1 A 78 78 ASN CB C 78 38.823 40.466 -1.643 1
1 914 . 8 1 1 A 78 78 ASN C C 78 174.985 175.097 -0.112 1
1 915 . 8 1 1 A 79 79 ASN N N 79 119.198 118.166 1.032 1
1 916 . 8 1 1 A 79 79 ASN H H 79 8.312 9.069 -0.757 1
1 917 . 8 1 1 A 79 79 ASN CA C 79 53.379 53.978 -0.599 1
1 918 . 8 1 1 A 79 79 ASN HA H 79 4.696 4.346 0.350 1
1 919 . 8 1 1 A 79 79 ASN CB C 79 38.827 37.296 1.531 1
1 925 . 8 1 1 A 79 79 ASN C C 79 175.132 174.494 0.638 1
1 926 . 8 1 1 A 80 80 LEU N N 80 122.154 120.220 1.934 1
1 927 . 8 1 1 A 80 80 LEU H H 80 8.195 8.006 0.189 1
1 928 . 8 1 1 A 80 80 LEU CA C 80 55.523 55.856 -0.333 1
1 929 . 8 1 1 A 80 80 LEU HA H 80 4.305 4.221 0.084 1
1 930 . 8 1 1 A 80 80 LEU CB C 80 42.304 41.936 0.368 1
1 943 . 8 1 1 A 80 80 LEU C C 80 177.461 177.487 -0.026 1
1 944 . 8 1 1 A 81 81 GLU N N 81 121.156 124.717 -3.561 1
1 945 . 8 1 1 A 81 81 GLU H H 81 8.341 8.526 -0.185 1
1 946 . 8 1 1 A 81 81 GLU CA C 81 56.665 56.289 0.376 1
1 947 . 8 1 1 A 81 81 GLU HA H 81 4.253 4.699 -0.446 1
1 948 . 8 1 1 A 81 81 GLU CB C 81 30.219 29.139 1.080 1
1 954 . 8 1 1 A 81 81 GLU C C 81 176.365 176.560 -0.195 1
1 955 . 8 1 1 A 82 82 THR N N 82 114.319 117.556 -3.237 1
1 956 . 8 1 1 A 82 82 THR H H 82 7.970 8.051 -0.081 1
1 957 . 8 1 1 A 82 82 THR CA C 82 61.517 61.901 -0.384 1
1 958 . 8 1 1 A 82 82 THR HA H 82 4.211 4.621 -0.410 1
1 959 . 8 1 1 A 82 82 THR CB C 82 69.881 68.660 1.221 1
1 965 . 8 1 1 A 82 82 THR C C 82 173.812 174.331 -0.519 1
1 966 . 8 1 1 A 83 83 TYR N N 83 122.614 122.631 -0.017 1
1 967 . 8 1 1 A 83 83 TYR H H 83 8.076 8.094 -0.018 1
1 968 . 8 1 1 A 83 83 TYR CA C 83 57.640 59.625 -1.985 1
1 969 . 8 1 1 A 83 83 TYR HA H 83 4.444 4.568 -0.124 1
1 970 . 8 1 1 A 83 83 TYR CB C 83 38.964 39.495 -0.531 1
1 981 . 8 1 1 A 83 83 TYR C C 83 175.115 175.512 -0.397 1
1 982 . 8 1 1 A 84 84 GLU N N 84 122.790 120.743 2.047 1
1 983 . 8 1 1 A 84 84 GLU H H 84 7.995 9.078 -1.083 1
1 984 . 8 1 1 A 84 84 GLU CA C 84 56.097 54.806 1.291 1
1 985 . 8 1 1 A 84 84 GLU HA H 84 4.227 5.110 -0.883 1
1 986 . 8 1 1 A 84 84 GLU CB C 84 30.506 31.483 -0.977 1
1 992 . 8 1 1 A 84 84 GLU C C 84 174.707 175.625 -0.918 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.365 45.587 -0.222 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.970 4.243 -0.273 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.824 4.244 -0.420 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.351 174.195 0.156 1
1 5 . 9 1 1 A 8 8 GLU N N 8 120.458 117.739 2.719 1
1 6 . 9 1 1 A 8 8 GLU H H 8 8.288 8.217 0.071 1
1 7 . 9 1 1 A 8 8 GLU CA C 8 56.663 57.413 -0.750 1
1 8 . 9 1 1 A 8 8 GLU HA H 8 4.254 4.023 0.231 1
1 9 . 9 1 1 A 8 8 GLU CB C 8 30.248 28.343 1.905 1
1 15 . 9 1 1 A 8 8 GLU C C 8 176.364 176.097 0.267 1
1 16 . 9 1 1 A 9 9 ASP N N 9 120.849 120.209 0.640 1
1 17 . 9 1 1 A 9 9 ASP H H 9 8.379 7.851 0.528 1
1 18 . 9 1 1 A 9 9 ASP CA C 9 54.402 54.567 -0.165 1
1 19 . 9 1 1 A 9 9 ASP HA H 9 4.543 4.501 0.042 1
1 20 . 9 1 1 A 9 9 ASP CB C 9 41.035 41.967 -0.932 1
1 23 . 9 1 1 A 9 9 ASP C C 9 176.003 177.076 -1.073 1
1 24 . 9 1 1 A 10 10 ASN N N 10 119.270 122.341 -3.071 1
1 25 . 9 1 1 A 10 10 ASN H H 10 8.303 8.934 -0.631 1
1 26 . 9 1 1 A 10 10 ASN CA C 10 53.233 55.568 -2.335 1
1 27 . 9 1 1 A 10 10 ASN HA H 10 4.654 4.673 -0.019 1
1 28 . 9 1 1 A 10 10 ASN CB C 10 38.832 38.565 0.267 1
1 34 . 9 1 1 A 10 10 ASN C C 10 175.079 175.896 -0.817 1
1 35 . 9 1 1 A 11 11 ARG N N 11 120.795 118.156 2.639 1
1 36 . 9 1 1 A 11 11 ARG H H 11 8.132 7.509 0.623 1
1 37 . 9 1 1 A 11 11 ARG CA C 11 56.092 56.061 0.031 1
1 38 . 9 1 1 A 11 11 ARG HA H 11 4.257 4.436 -0.179 1
1 39 . 9 1 1 A 11 11 ARG CB C 11 30.721 31.309 -0.588 1
1 48 . 9 1 1 A 11 11 ARG C C 11 176.045 175.274 0.771 1
1 49 . 9 1 1 A 12 12 ARG N N 12 123.167 119.213 3.954 1
1 50 . 9 1 1 A 12 12 ARG H H 12 8.222 8.321 -0.099 1
1 51 . 9 1 1 A 12 12 ARG CA C 12 53.918 54.251 -0.333 1
1 52 . 9 1 1 A 12 12 ARG HA H 12 4.506 4.719 -0.213 1
1 53 . 9 1 1 A 12 12 ARG CB C 12 29.923 33.481 -3.558 1
1 62 . 9 1 1 A 12 12 ARG C C 12 174.073 173.682 0.391 1
1 63 . 9 1 1 A 13 13 PRO CA C 13 62.815 62.524 0.291 1
1 64 . 9 1 1 A 13 13 PRO HA H 13 4.255 4.790 -0.535 1
1 65 . 9 1 1 A 13 13 PRO CB C 13 31.903 33.226 -1.323 1
1 74 . 9 1 1 A 13 13 PRO C C 13 176.315 176.397 -0.082 1
1 75 . 9 1 1 A 14 14 LEU N N 14 122.009 120.555 1.454 1
1 76 . 9 1 1 A 14 14 LEU H H 14 8.090 8.732 -0.642 1
1 77 . 9 1 1 A 14 14 LEU CA C 14 55.286 56.326 -1.040 1
1 78 . 9 1 1 A 14 14 LEU HA H 14 4.065 4.447 -0.382 1
1 79 . 9 1 1 A 14 14 LEU CB C 14 42.258 42.592 -0.334 1
1 92 . 9 1 1 A 14 14 LEU C C 14 176.610 178.390 -1.780 1
1 93 . 9 1 1 A 15 15 TRP N N 15 120.219 116.226 3.993 1
1 94 . 9 1 1 A 15 15 TRP H H 15 7.582 8.209 -0.627 1
1 95 . 9 1 1 A 15 15 TRP CA C 15 56.114 58.962 -2.848 1
1 96 . 9 1 1 A 15 15 TRP HA H 15 4.803 4.532 0.271 1
1 97 . 9 1 1 A 15 15 TRP CB C 15 29.845 30.314 -0.469 1
1 112 . 9 1 1 A 15 15 TRP C C 15 176.093 176.276 -0.183 1
1 113 . 9 1 1 A 16 16 GLU N N 16 124.270 117.283 6.987 1
1 114 . 9 1 1 A 16 16 GLU H H 16 8.901 8.025 0.876 1
1 115 . 9 1 1 A 16 16 GLU CA C 16 54.729 53.429 1.300 1
1 116 . 9 1 1 A 16 16 GLU HA H 16 4.471 4.844 -0.373 1
1 117 . 9 1 1 A 16 16 GLU CB C 16 29.173 33.397 -4.224 1
1 123 . 9 1 1 A 16 16 GLU C C 16 175.525 176.113 -0.588 1
1 124 . 9 1 1 A 17 17 PRO CA C 17 64.535 65.480 -0.945 1
1 125 . 9 1 1 A 17 17 PRO HA H 17 4.306 4.320 -0.014 1
1 126 . 9 1 1 A 17 17 PRO CB C 17 32.105 31.940 0.165 1
1 135 . 9 1 1 A 17 17 PRO C C 17 177.261 178.042 -0.781 1
1 136 . 9 1 1 A 18 18 GLU N N 18 116.089 117.863 -1.774 1
1 137 . 9 1 1 A 18 18 GLU H H 18 8.459 8.300 0.159 1
1 138 . 9 1 1 A 18 18 GLU CA C 18 57.215 59.537 -2.322 1
1 139 . 9 1 1 A 18 18 GLU HA H 18 4.203 4.109 0.094 1
1 140 . 9 1 1 A 18 18 GLU CB C 18 29.321 29.466 -0.145 1
1 146 . 9 1 1 A 18 18 GLU C C 18 176.941 177.319 -0.378 1
1 147 . 9 1 1 A 19 19 GLU N N 19 120.173 119.170 1.003 1
1 148 . 9 1 1 A 19 19 GLU H H 19 7.861 7.887 -0.026 1
1 149 . 9 1 1 A 19 19 GLU CA C 19 56.170 56.804 -0.634 1
1 150 . 9 1 1 A 19 19 GLU HA H 19 4.257 4.427 -0.170 1
1 151 . 9 1 1 A 19 19 GLU CB C 19 30.012 30.151 -0.139 1
1 157 . 9 1 1 A 19 19 GLU C C 19 176.182 176.072 0.110 1
1 158 . 9 1 1 A 20 20 THR N N 20 120.847 118.238 2.609 1
1 159 . 9 1 1 A 20 20 THR H H 20 9.010 8.653 0.357 1
1 160 . 9 1 1 A 20 20 THR CA C 20 63.200 62.164 1.036 1
1 161 . 9 1 1 A 20 20 THR HA H 20 4.188 4.679 -0.491 1
1 162 . 9 1 1 A 20 20 THR CB C 20 69.394 69.209 0.185 1
1 168 . 9 1 1 A 20 20 THR C C 20 172.501 173.901 -1.400 1
1 169 . 9 1 1 A 21 21 VAL N N 21 128.753 128.125 0.628 1
1 170 . 9 1 1 A 21 21 VAL H H 21 8.497 8.845 -0.348 1
1 171 . 9 1 1 A 21 21 VAL CA C 21 61.422 62.063 -0.641 1
1 172 . 9 1 1 A 21 21 VAL HA H 21 4.546 4.674 -0.128 1
1 173 . 9 1 1 A 21 21 VAL CB C 21 33.236 31.737 1.499 1
1 183 . 9 1 1 A 21 21 VAL C C 21 175.700 175.998 -0.298 1
1 184 . 9 1 1 A 22 22 VAL N N 22 119.061 122.861 -3.800 1
1 185 . 9 1 1 A 22 22 VAL H H 22 9.159 9.288 -0.129 1
1 186 . 9 1 1 A 22 22 VAL CA C 22 57.799 59.174 -1.375 1
1 187 . 9 1 1 A 22 22 VAL HA H 22 5.187 5.343 -0.156 1
1 188 . 9 1 1 A 22 22 VAL CB C 22 35.307 34.644 0.663 1
1 198 . 9 1 1 A 22 22 VAL C C 22 173.461 174.327 -0.866 1
1 199 . 9 1 1 A 23 23 ILE N N 23 120.660 122.418 -1.758 1
1 200 . 9 1 1 A 23 23 ILE H H 23 9.354 9.033 0.321 1
1 201 . 9 1 1 A 23 23 ILE CA C 23 58.793 59.426 -0.633 1
1 202 . 9 1 1 A 23 23 ILE HA H 23 5.082 5.244 -0.162 1
1 203 . 9 1 1 A 23 23 ILE CB C 23 41.289 41.470 -0.181 1
1 216 . 9 1 1 A 23 23 ILE C C 23 176.270 174.818 1.452 1
1 217 . 9 1 1 A 24 24 ALA N N 24 125.421 128.048 -2.627 1
1 218 . 9 1 1 A 24 24 ALA H H 24 8.184 8.506 -0.322 1
1 219 . 9 1 1 A 24 24 ALA CA C 24 51.461 51.640 -0.179 1
1 220 . 9 1 1 A 24 24 ALA HA H 24 4.982 4.884 0.098 1
1 221 . 9 1 1 A 24 24 ALA CB C 24 20.231 19.713 0.518 1
1 225 . 9 1 1 A 24 24 ALA C C 24 178.664 177.046 1.618 1
1 226 . 9 1 1 A 25 25 LEU N N 25 126.185 122.840 3.345 1
1 227 . 9 1 1 A 25 25 LEU H H 25 9.388 8.865 0.523 1
1 228 . 9 1 1 A 25 25 LEU CA C 25 55.799 55.575 0.224 1
1 229 . 9 1 1 A 25 25 LEU HA H 25 3.875 4.180 -0.305 1
1 230 . 9 1 1 A 25 25 LEU CB C 25 43.786 42.293 1.493 1
1 243 . 9 1 1 A 25 25 LEU C C 25 175.686 176.074 -0.388 1
1 244 . 9 1 1 A 26 26 TYR N N 26 110.488 115.998 -5.510 1
1 245 . 9 1 1 A 26 26 TYR H H 26 6.878 7.795 -0.917 1
1 246 . 9 1 1 A 26 26 TYR CA C 26 53.575 56.250 -2.675 1
1 247 . 9 1 1 A 26 26 TYR HA H 26 4.744 5.191 -0.447 1
1 248 . 9 1 1 A 26 26 TYR CB C 26 42.393 42.331 0.062 1
1 259 . 9 1 1 A 26 26 TYR C C 26 173.800 174.689 -0.889 1
1 260 . 9 1 1 A 27 27 ASP N N 27 117.327 122.885 -5.558 1
1 261 . 9 1 1 A 27 27 ASP H H 27 8.278 8.755 -0.477 1
1 262 . 9 1 1 A 27 27 ASP CA C 27 54.522 53.650 0.872 1
1 263 . 9 1 1 A 27 27 ASP HA H 27 4.639 4.985 -0.346 1
1 264 . 9 1 1 A 27 27 ASP CB C 27 41.944 40.163 1.781 1
1 267 . 9 1 1 A 27 27 ASP C C 27 176.000 175.107 0.893 1
1 268 . 9 1 1 A 28 28 TYR N N 28 121.747 126.521 -4.774 1
1 269 . 9 1 1 A 28 28 TYR H H 28 8.724 8.935 -0.211 1
1 270 . 9 1 1 A 28 28 TYR CA C 28 57.938 59.497 -1.559 1
1 271 . 9 1 1 A 28 28 TYR HA H 28 4.934 4.815 0.119 1
1 272 . 9 1 1 A 28 28 TYR CB C 28 42.161 39.334 2.827 1
1 283 . 9 1 1 A 28 28 TYR C C 28 173.834 174.680 -0.846 1
1 284 . 9 1 1 A 29 29 GLN N N 29 126.180 125.051 1.129 1
1 285 . 9 1 1 A 29 29 GLN H H 29 7.959 7.814 0.145 1
1 286 . 9 1 1 A 29 29 GLN CA C 29 54.153 53.944 0.209 1
1 287 . 9 1 1 A 29 29 GLN HA H 29 4.507 4.817 -0.310 1
1 288 . 9 1 1 A 29 29 GLN CB C 29 29.854 32.056 -2.202 1
1 297 . 9 1 1 A 29 29 GLN C C 29 173.966 174.160 -0.194 1
1 298 . 9 1 1 A 30 30 THR N N 30 115.009 115.221 -0.212 1
1 299 . 9 1 1 A 30 30 THR H H 30 7.982 8.512 -0.530 1
1 300 . 9 1 1 A 30 30 THR CA C 30 59.769 60.472 -0.703 1
1 301 . 9 1 1 A 30 30 THR HA H 30 4.319 4.741 -0.422 1
1 302 . 9 1 1 A 30 30 THR CB C 30 69.002 70.450 -1.448 1
1 308 . 9 1 1 A 30 30 THR C C 30 172.388 172.587 -0.199 1
1 309 . 9 1 1 A 31 31 ASN N N 31 121.715 123.464 -1.749 1
1 310 . 9 1 1 A 31 31 ASN H H 31 8.702 8.739 -0.037 1
1 311 . 9 1 1 A 31 31 ASN CA C 31 52.449 52.873 -0.424 1
1 312 . 9 1 1 A 31 31 ASN HA H 31 4.787 5.011 -0.224 1
1 313 . 9 1 1 A 31 31 ASN CB C 31 39.822 39.191 0.631 1
1 319 . 9 1 1 A 31 31 ASN C C 31 174.579 172.868 1.711 1
1 320 . 9 1 1 A 32 32 ASP N N 32 124.854 118.799 6.055 1
1 321 . 9 1 1 A 32 32 ASP H H 32 8.333 7.536 0.797 1
1 322 . 9 1 1 A 32 32 ASP CA C 32 51.996 50.536 1.460 1
1 323 . 9 1 1 A 32 32 ASP HA H 32 4.827 5.090 -0.263 1
1 324 . 9 1 1 A 32 32 ASP CB C 32 43.075 42.599 0.476 1
1 327 . 9 1 1 A 32 32 ASP C C 32 176.135 176.068 0.067 1
1 328 . 9 1 1 A 33 33 PRO CA C 33 64.451 64.575 -0.124 1
1 329 . 9 1 1 A 33 33 PRO HA H 33 4.490 4.414 0.076 1
1 330 . 9 1 1 A 33 33 PRO CB C 33 32.425 31.884 0.541 1
1 339 . 9 1 1 A 33 33 PRO C C 33 177.612 177.570 0.042 1
1 340 . 9 1 1 A 34 34 GLN N N 34 116.032 117.135 -1.103 1
1 341 . 9 1 1 A 34 34 GLN H H 34 8.906 8.629 0.277 1
1 342 . 9 1 1 A 34 34 GLN CA C 34 56.080 56.828 -0.748 1
1 343 . 9 1 1 A 34 34 GLN HA H 34 4.559 4.191 0.368 1
1 344 . 9 1 1 A 34 34 GLN CB C 34 29.488 29.681 -0.193 1
1 353 . 9 1 1 A 34 34 GLN C C 34 176.811 175.701 1.110 1
1 354 . 9 1 1 A 35 35 GLU N N 35 120.585 117.823 2.762 1
1 355 . 9 1 1 A 35 35 GLU H H 35 7.905 7.490 0.415 1
1 356 . 9 1 1 A 35 35 GLU CA C 35 55.147 54.680 0.467 1
1 357 . 9 1 1 A 35 35 GLU HA H 35 5.370 4.829 0.541 1
1 358 . 9 1 1 A 35 35 GLU CB C 35 33.394 32.605 0.789 1
1 364 . 9 1 1 A 35 35 GLU C C 35 174.508 174.802 -0.294 1
1 365 . 9 1 1 A 36 36 LEU N N 36 122.127 124.231 -2.104 1
1 366 . 9 1 1 A 36 36 LEU H H 36 7.553 9.038 -1.485 1
1 367 . 9 1 1 A 36 36 LEU CA C 36 53.375 53.546 -0.171 1
1 368 . 9 1 1 A 36 36 LEU HA H 36 4.415 5.301 -0.886 1
1 369 . 9 1 1 A 36 36 LEU CB C 36 45.685 46.833 -1.148 1
1 382 . 9 1 1 A 36 36 LEU C C 36 173.533 174.571 -1.038 1
1 383 . 9 1 1 A 37 37 ALA N N 37 124.419 127.774 -3.355 1
1 384 . 9 1 1 A 37 37 ALA H H 37 7.813 8.783 -0.970 1
1 385 . 9 1 1 A 37 37 ALA CA C 37 51.854 50.681 1.173 1
1 386 . 9 1 1 A 37 37 ALA HA H 37 4.581 5.006 -0.425 1
1 387 . 9 1 1 A 37 37 ALA CB C 37 19.371 20.276 -0.905 1
1 391 . 9 1 1 A 37 37 ALA C C 37 177.822 176.810 1.012 1
1 392 . 9 1 1 A 38 38 LEU N N 38 116.787 124.177 -7.390 1
1 393 . 9 1 1 A 38 38 LEU H H 38 8.656 8.867 -0.211 1
1 394 . 9 1 1 A 38 38 LEU CA C 38 52.952 55.341 -2.389 1
1 395 . 9 1 1 A 38 38 LEU HA H 38 5.026 4.284 0.742 1
1 396 . 9 1 1 A 38 38 LEU CB C 38 45.223 42.302 2.921 1
1 409 . 9 1 1 A 38 38 LEU C C 38 177.842 176.425 1.417 1
1 410 . 9 1 1 A 39 39 ARG N N 39 123.462 122.874 0.588 1
1 411 . 9 1 1 A 39 39 ARG H H 39 8.333 9.070 -0.737 1
1 412 . 9 1 1 A 39 39 ARG CA C 39 53.731 54.240 -0.509 1
1 413 . 9 1 1 A 39 39 ARG HA H 39 4.977 5.153 -0.176 1
1 414 . 9 1 1 A 39 39 ARG CB C 39 32.431 33.697 -1.266 1
1 423 . 9 1 1 A 39 39 ARG C C 39 174.595 175.723 -1.128 1
1 424 . 9 1 1 A 40 40 ARG N N 40 123.974 127.605 -3.631 1
1 425 . 9 1 1 A 40 40 ARG H H 40 8.899 8.730 0.169 1
1 426 . 9 1 1 A 40 40 ARG CA C 40 58.302 57.736 0.566 1
1 427 . 9 1 1 A 40 40 ARG HA H 40 3.350 3.987 -0.637 1
1 428 . 9 1 1 A 40 40 ARG CB C 40 30.480 30.013 0.467 1
1 437 . 9 1 1 A 40 40 ARG C C 40 176.432 176.981 -0.549 1
1 438 . 9 1 1 A 41 41 ASN N N 41 117.655 119.405 -1.750 1
1 439 . 9 1 1 A 41 41 ASN H H 41 9.246 8.620 0.626 1
1 440 . 9 1 1 A 41 41 ASN CA C 41 55.859 54.353 1.506 1
1 441 . 9 1 1 A 41 41 ASN HA H 41 4.227 4.267 -0.040 1
1 442 . 9 1 1 A 41 41 ASN CB C 41 37.555 36.968 0.587 1
1 448 . 9 1 1 A 41 41 ASN C C 41 174.318 173.943 0.375 1
1 449 . 9 1 1 A 42 42 GLU N N 42 122.758 117.228 5.530 1
1 450 . 9 1 1 A 42 42 GLU H H 42 8.419 7.799 0.620 1
1 451 . 9 1 1 A 42 42 GLU CA C 42 56.625 54.998 1.627 1
1 452 . 9 1 1 A 42 42 GLU HA H 42 4.445 4.875 -0.430 1
1 453 . 9 1 1 A 42 42 GLU CB C 42 29.887 32.849 -2.962 1
1 459 . 9 1 1 A 42 42 GLU C C 42 173.885 175.268 -1.383 1
1 460 . 9 1 1 A 43 43 GLU N N 43 119.431 122.418 -2.987 1
1 461 . 9 1 1 A 43 43 GLU H H 43 7.901 8.703 -0.802 1
1 462 . 9 1 1 A 43 43 GLU CA C 43 54.997 56.528 -1.531 1
1 463 . 9 1 1 A 43 43 GLU HA H 43 5.106 4.937 0.169 1
1 464 . 9 1 1 A 43 43 GLU CB C 43 32.392 31.018 1.374 1
1 470 . 9 1 1 A 43 43 GLU C C 43 175.285 175.457 -0.172 1
1 471 . 9 1 1 A 44 44 TYR N N 44 118.011 119.224 -1.213 1
1 472 . 9 1 1 A 44 44 TYR H H 44 9.196 8.854 0.342 1
1 473 . 9 1 1 A 44 44 TYR CA C 44 56.847 56.438 0.409 1
1 474 . 9 1 1 A 44 44 TYR HA H 44 4.708 4.751 -0.043 1
1 475 . 9 1 1 A 44 44 TYR CB C 44 42.218 42.674 -0.456 1
1 486 . 9 1 1 A 44 44 TYR C C 44 173.315 173.908 -0.593 1
1 487 . 9 1 1 A 45 45 CYS N N 45 120.674 122.595 -1.921 1
1 488 . 9 1 1 A 45 45 CYS H H 45 8.803 8.311 0.492 1
1 489 . 9 1 1 A 45 45 CYS CA C 45 57.318 57.536 -0.218 1
1 490 . 9 1 1 A 45 45 CYS HA H 45 4.425 4.835 -0.410 1
1 491 . 9 1 1 A 45 45 CYS CB C 45 27.610 30.089 -2.479 1
1 494 . 9 1 1 A 45 45 CYS C C 45 174.817 173.628 1.189 1
1 495 . 9 1 1 A 46 46 LEU N N 46 129.242 128.393 0.849 1
1 496 . 9 1 1 A 46 46 LEU H H 46 8.803 8.457 0.346 1
1 497 . 9 1 1 A 46 46 LEU CA C 46 55.404 54.692 0.712 1
1 498 . 9 1 1 A 46 46 LEU HA H 46 4.224 4.407 -0.183 1
1 499 . 9 1 1 A 46 46 LEU CB C 46 42.929 41.586 1.343 1
1 512 . 9 1 1 A 46 46 LEU C C 46 174.895 175.842 -0.947 1
1 513 . 9 1 1 A 47 47 LEU N N 47 127.172 128.732 -1.560 1
1 514 . 9 1 1 A 47 47 LEU H H 47 8.780 8.543 0.237 1
1 515 . 9 1 1 A 47 47 LEU CA C 47 55.322 57.436 -2.114 1
1 516 . 9 1 1 A 47 47 LEU HA H 47 4.478 4.101 0.377 1
1 517 . 9 1 1 A 47 47 LEU CB C 47 42.904 42.393 0.511 1
1 530 . 9 1 1 A 47 47 LEU C C 47 177.543 176.938 0.605 1
1 531 . 9 1 1 A 48 48 ASP N N 48 115.262 116.777 -1.515 1
1 532 . 9 1 1 A 48 48 ASP H H 48 7.516 7.509 0.007 1
1 533 . 9 1 1 A 48 48 ASP CA C 48 54.649 52.777 1.872 1
1 534 . 9 1 1 A 48 48 ASP HA H 48 4.754 4.922 -0.168 1
1 535 . 9 1 1 A 48 48 ASP CB C 48 43.524 45.104 -1.580 1
1 538 . 9 1 1 A 48 48 ASP C C 48 175.044 174.484 0.560 1
1 539 . 9 1 1 A 49 49 SER N N 49 123.571 114.889 8.682 1
1 540 . 9 1 1 A 49 49 SER H H 49 8.911 8.278 0.633 1
1 541 . 9 1 1 A 49 49 SER CA C 49 56.641 56.325 0.316 1
1 542 . 9 1 1 A 49 49 SER HA H 49 4.019 4.547 -0.528 1
1 543 . 9 1 1 A 49 49 SER CB C 49 62.018 62.402 -0.384 1
1 546 . 9 1 1 A 49 49 SER C C 49 173.953 175.404 -1.451 1
1 547 . 9 1 1 A 50 50 SER N N 50 118.555 117.364 1.191 1
1 548 . 9 1 1 A 50 50 SER H H 50 8.528 8.043 0.485 1
1 549 . 9 1 1 A 50 50 SER CA C 50 61.824 61.682 0.142 1
1 550 . 9 1 1 A 50 50 SER HA H 50 4.050 4.055 -0.005 1
1 551 . 9 1 1 A 50 50 SER CB C 50 63.334 63.130 0.204 1
1 554 . 9 1 1 A 50 50 SER C C 50 175.507 174.432 1.075 1
1 555 . 9 1 1 A 51 51 GLU N N 51 123.653 118.511 5.142 1
1 556 . 9 1 1 A 51 51 GLU H H 51 8.756 8.275 0.481 1
1 557 . 9 1 1 A 51 51 GLU CA C 51 55.391 55.104 0.287 1
1 558 . 9 1 1 A 51 51 GLU HA H 51 4.690 4.698 -0.008 1
1 559 . 9 1 1 A 51 51 GLU CB C 51 30.112 31.506 -1.394 1
1 565 . 9 1 1 A 51 51 GLU C C 51 176.574 176.332 0.242 1
1 566 . 9 1 1 A 52 52 ILE N N 52 117.495 121.504 -4.009 1
1 567 . 9 1 1 A 52 52 ILE H H 52 8.223 8.480 -0.257 1
1 568 . 9 1 1 A 52 52 ILE CA C 52 64.478 62.789 1.689 1
1 569 . 9 1 1 A 52 52 ILE HA H 52 3.946 4.291 -0.345 1
1 570 . 9 1 1 A 52 52 ILE CB C 52 38.365 38.599 -0.234 1
1 583 . 9 1 1 A 52 52 ILE C C 52 178.681 177.508 1.173 1
1 584 . 9 1 1 A 53 53 HIS N N 53 116.338 116.893 -0.555 1
1 585 . 9 1 1 A 53 53 HIS H H 53 8.529 7.686 0.843 1
1 586 . 9 1 1 A 53 53 HIS CA C 53 57.974 58.634 -0.660 1
1 587 . 9 1 1 A 53 53 HIS HA H 53 4.332 4.049 0.283 1
1 588 . 9 1 1 A 53 53 HIS CB C 53 31.646 30.255 1.391 1
1 595 . 9 1 1 A 53 53 HIS C C 53 175.678 174.544 1.134 1
1 596 . 9 1 1 A 54 54 TRP N N 54 120.664 117.087 3.577 1
1 597 . 9 1 1 A 54 54 TRP H H 54 7.298 7.746 -0.448 1
1 598 . 9 1 1 A 54 54 TRP CA C 54 55.972 55.533 0.439 1
1 599 . 9 1 1 A 54 54 TRP HA H 54 5.142 5.500 -0.358 1
1 600 . 9 1 1 A 54 54 TRP CB C 54 31.957 31.827 0.130 1
1 615 . 9 1 1 A 54 54 TRP C C 54 174.289 175.148 -0.859 1
1 616 . 9 1 1 A 55 55 TRP N N 55 124.636 124.309 0.327 1
1 617 . 9 1 1 A 55 55 TRP H H 55 9.260 9.484 -0.224 1
1 618 . 9 1 1 A 55 55 TRP CA C 55 53.365 55.929 -2.564 1
1 619 . 9 1 1 A 55 55 TRP HA H 55 5.503 5.301 0.202 1
1 620 . 9 1 1 A 55 55 TRP CB C 55 32.591 32.126 0.465 1
1 635 . 9 1 1 A 55 55 TRP C C 55 174.620 175.245 -0.625 1
1 636 . 9 1 1 A 56 56 ARG N N 56 122.963 124.426 -1.463 1
1 637 . 9 1 1 A 56 56 ARG H H 56 8.876 8.858 0.018 1
1 638 . 9 1 1 A 56 56 ARG CA C 56 55.250 55.273 -0.023 1
1 639 . 9 1 1 A 56 56 ARG HA H 56 4.716 4.943 -0.227 1
1 640 . 9 1 1 A 56 56 ARG CB C 56 32.705 31.629 1.076 1
1 651 . 9 1 1 A 56 56 ARG C C 56 175.777 175.639 0.138 1
1 652 . 9 1 1 A 57 57 VAL N N 57 119.683 120.268 -0.585 1
1 653 . 9 1 1 A 57 57 VAL H H 57 8.784 9.069 -0.285 1
1 654 . 9 1 1 A 57 57 VAL CA C 57 58.632 58.839 -0.207 1
1 655 . 9 1 1 A 57 57 VAL HA H 57 5.356 5.385 -0.029 1
1 656 . 9 1 1 A 57 57 VAL CB C 57 36.354 35.965 0.389 1
1 666 . 9 1 1 A 57 57 VAL C C 57 172.758 173.585 -0.827 1
1 667 . 9 1 1 A 58 58 GLN N N 58 118.904 121.074 -2.170 1
1 668 . 9 1 1 A 58 58 GLN H H 58 8.911 8.955 -0.044 1
1 669 . 9 1 1 A 58 58 GLN CA C 58 53.324 54.225 -0.901 1
1 670 . 9 1 1 A 58 58 GLN HA H 58 5.677 5.481 0.196 1
1 671 . 9 1 1 A 58 58 GLN CB C 58 35.149 31.665 3.484 1
1 680 . 9 1 1 A 58 58 GLN C C 58 175.711 175.081 0.630 1
1 681 . 9 1 1 A 59 59 ASP N N 59 125.232 126.570 -1.338 1
1 682 . 9 1 1 A 59 59 ASP H H 59 9.274 8.950 0.324 1
1 683 . 9 1 1 A 59 59 ASP CA C 59 52.577 53.555 -0.978 1
1 684 . 9 1 1 A 59 59 ASP HA H 59 5.257 4.680 0.577 1
1 685 . 9 1 1 A 59 59 ASP CB C 59 43.563 41.892 1.671 1
1 688 . 9 1 1 A 59 59 ASP C C 59 178.615 177.874 0.741 1
1 689 . 9 1 1 A 60 60 ARG N N 60 117.439 118.710 -1.271 1
1 690 . 9 1 1 A 60 60 ARG H H 60 9.177 8.805 0.372 1
1 691 . 9 1 1 A 60 60 ARG CA C 60 57.908 58.282 -0.374 1
1 692 . 9 1 1 A 60 60 ARG HA H 60 3.987 3.865 0.122 1
1 693 . 9 1 1 A 60 60 ARG CB C 60 29.590 29.738 -0.148 1
1 702 . 9 1 1 A 60 60 ARG C C 60 176.395 178.397 -2.002 1
1 703 . 9 1 1 A 61 61 ASN N N 61 117.081 115.992 1.089 1
1 704 . 9 1 1 A 61 61 ASN H H 61 8.294 7.723 0.571 1
1 705 . 9 1 1 A 61 61 ASN CA C 61 53.024 53.618 -0.594 1
1 706 . 9 1 1 A 61 61 ASN HA H 61 4.852 4.520 0.332 1
1 707 . 9 1 1 A 61 61 ASN CB C 61 39.662 38.406 1.256 1
1 713 . 9 1 1 A 61 61 ASN C C 61 175.197 175.178 0.019 1
1 714 . 9 1 1 A 62 62 GLY N N 62 107.804 105.946 1.858 1
1 715 . 9 1 1 A 62 62 GLY H H 62 8.195 7.344 0.851 1
1 716 . 9 1 1 A 62 62 GLY CA C 62 45.423 45.044 0.379 1
1 717 . 9 1 1 A 62 62 GLY HA2 H 62 3.551 4.012 -0.461 1
1 718 . 9 1 1 A 62 62 GLY HA3 H 62 4.225 4.017 0.208 1
1 719 . 9 1 1 A 62 62 GLY C C 62 174.475 174.802 -0.327 1
1 720 . 9 1 1 A 63 63 HIS N N 63 122.780 119.190 3.590 1
1 721 . 9 1 1 A 63 63 HIS H H 63 8.615 7.930 0.685 1
1 722 . 9 1 1 A 63 63 HIS CA C 63 55.653 56.205 -0.552 1
1 723 . 9 1 1 A 63 63 HIS HA H 63 4.784 4.651 0.133 1
1 724 . 9 1 1 A 63 63 HIS CB C 63 29.357 30.861 -1.504 1
1 731 . 9 1 1 A 63 63 HIS C C 63 173.926 174.480 -0.554 1
1 732 . 9 1 1 A 64 64 GLU N N 64 119.741 119.000 0.741 1
1 733 . 9 1 1 A 64 64 GLU H H 64 8.681 8.705 -0.024 1
1 734 . 9 1 1 A 64 64 GLU CA C 64 53.989 55.170 -1.181 1
1 735 . 9 1 1 A 64 64 GLU HA H 64 5.835 5.241 0.594 1
1 736 . 9 1 1 A 64 64 GLU CB C 64 34.417 33.308 1.109 1
1 742 . 9 1 1 A 64 64 GLU C C 64 176.358 175.602 0.756 1
1 743 . 9 1 1 A 65 65 GLY N N 65 105.646 108.275 -2.629 1
1 744 . 9 1 1 A 65 65 GLY H H 65 8.399 8.396 0.003 1
1 745 . 9 1 1 A 65 65 GLY CA C 65 45.368 45.507 -0.139 1
1 746 . 9 1 1 A 65 65 GLY HA2 H 65 3.959 4.034 -0.075 1
1 747 . 9 1 1 A 65 65 GLY HA3 H 65 3.835 4.178 -0.343 1
1 748 . 9 1 1 A 65 65 GLY C C 65 170.819 171.293 -0.474 1
1 749 . 9 1 1 A 66 66 TYR N N 66 119.001 119.999 -0.998 1
1 750 . 9 1 1 A 66 66 TYR H H 66 8.863 8.466 0.397 1
1 751 . 9 1 1 A 66 66 TYR CA C 66 59.140 58.027 1.113 1
1 752 . 9 1 1 A 66 66 TYR HA H 66 5.317 4.956 0.361 1
1 753 . 9 1 1 A 66 66 TYR CB C 66 40.974 38.525 2.449 1
1 764 . 9 1 1 A 66 66 TYR C C 66 176.158 176.097 0.061 1
1 765 . 9 1 1 A 67 67 VAL N N 67 112.145 119.177 -7.032 1
1 766 . 9 1 1 A 67 67 VAL H H 67 9.180 8.750 0.430 1
1 767 . 9 1 1 A 67 67 VAL CA C 67 57.686 58.288 -0.602 1
1 768 . 9 1 1 A 67 67 VAL HA H 67 4.803 4.970 -0.167 1
1 769 . 9 1 1 A 67 67 VAL CB C 67 33.564 33.428 0.136 1
1 779 . 9 1 1 A 67 67 VAL C C 67 172.139 173.790 -1.651 1
1 780 . 9 1 1 A 68 68 PRO CA C 68 61.422 62.355 -0.933 1
1 781 . 9 1 1 A 68 68 PRO HA H 68 3.745 4.364 -0.619 1
1 782 . 9 1 1 A 68 68 PRO CB C 68 30.557 31.133 -0.576 1
1 791 . 9 1 1 A 68 68 PRO C C 68 178.674 177.227 1.447 1
1 792 . 9 1 1 A 69 69 SER N N 69 122.331 122.404 -0.073 1
1 793 . 9 1 1 A 69 69 SER H H 69 7.791 8.495 -0.704 1
1 794 . 9 1 1 A 69 69 SER CA C 69 60.162 61.014 -0.852 1
1 795 . 9 1 1 A 69 69 SER HA H 69 2.790 3.757 -0.967 1
1 796 . 9 1 1 A 69 69 SER CB C 69 60.021 61.711 -1.690 1
1 799 . 9 1 1 A 69 69 SER C C 69 176.238 176.341 -0.103 1
1 800 . 9 1 1 A 70 70 SER N N 70 114.849 116.238 -1.389 1
1 801 . 9 1 1 A 70 70 SER H H 70 7.812 7.943 -0.131 1
1 802 . 9 1 1 A 70 70 SER CA C 70 59.590 61.443 -1.853 1
1 803 . 9 1 1 A 70 70 SER HA H 70 4.095 4.193 -0.098 1
1 804 . 9 1 1 A 70 70 SER CB C 70 62.885 62.280 0.605 1
1 807 . 9 1 1 A 70 70 SER C C 70 175.286 176.554 -1.268 1
1 808 . 9 1 1 A 71 71 TYR N N 71 122.244 119.411 2.833 1
1 809 . 9 1 1 A 71 71 TYR H H 71 7.593 7.763 -0.170 1
1 810 . 9 1 1 A 71 71 TYR CA C 71 58.102 60.534 -2.432 1
1 811 . 9 1 1 A 71 71 TYR HA H 71 4.496 4.397 0.099 1
1 812 . 9 1 1 A 71 71 TYR CB C 71 37.631 39.189 -1.558 1
1 823 . 9 1 1 A 71 71 TYR C C 71 174.002 176.438 -2.436 1
1 824 . 9 1 1 A 72 72 LEU N N 72 119.079 119.270 -0.191 1
1 825 . 9 1 1 A 72 72 LEU H H 72 7.270 7.182 0.088 1
1 826 . 9 1 1 A 72 72 LEU CA C 72 53.625 55.959 -2.334 1
1 827 . 9 1 1 A 72 72 LEU HA H 72 5.388 4.377 1.011 1
1 828 . 9 1 1 A 72 72 LEU CB C 72 46.623 42.541 4.082 1
1 841 . 9 1 1 A 72 72 LEU C C 72 175.893 176.422 -0.529 1
1 842 . 9 1 1 A 73 73 VAL N N 73 116.343 118.815 -2.472 1
1 843 . 9 1 1 A 73 73 VAL H H 73 8.610 9.169 -0.559 1
1 844 . 9 1 1 A 73 73 VAL CA C 73 59.707 58.910 0.797 1
1 845 . 9 1 1 A 73 73 VAL HA H 73 4.601 4.824 -0.223 1
1 846 . 9 1 1 A 73 73 VAL CB C 73 35.811 35.296 0.515 1
1 856 . 9 1 1 A 73 73 VAL C C 73 174.186 174.302 -0.116 1
1 857 . 9 1 1 A 74 74 GLU N N 74 124.925 124.625 0.300 1
1 858 . 9 1 1 A 74 74 GLU H H 74 8.845 8.483 0.362 1
1 859 . 9 1 1 A 74 74 GLU CA C 74 57.745 56.711 1.034 1
1 860 . 9 1 1 A 74 74 GLU HA H 74 4.363 4.557 -0.194 1
1 861 . 9 1 1 A 74 74 GLU CB C 74 30.164 30.187 -0.023 1
1 867 . 9 1 1 A 74 74 GLU C C 74 176.322 176.382 -0.060 1
1 868 . 9 1 1 A 75 75 LYS N N 75 125.959 129.490 -3.531 1
1 869 . 9 1 1 A 75 75 LYS H H 75 8.556 7.801 0.755 1
1 870 . 9 1 1 A 75 75 LYS CA C 75 57.115 57.233 -0.118 1
1 871 . 9 1 1 A 75 75 LYS HA H 75 4.157 4.212 -0.055 1
1 872 . 9 1 1 A 75 75 LYS CB C 75 33.626 32.685 0.941 1
1 884 . 9 1 1 A 75 75 LYS C C 75 175.944 176.101 -0.157 1
1 885 . 9 1 1 A 76 76 SER N N 76 121.519 123.283 -1.764 1
1 886 . 9 1 1 A 76 76 SER H H 76 8.576 8.582 -0.006 1
1 887 . 9 1 1 A 76 76 SER CA C 76 56.205 57.889 -1.684 1
1 888 . 9 1 1 A 76 76 SER HA H 76 4.809 4.533 0.276 1
1 889 . 9 1 1 A 76 76 SER CB C 76 63.582 63.246 0.336 1
1 891 . 9 1 1 A 76 76 SER C C 76 172.875 172.565 0.310 1
1 892 . 9 1 1 A 77 77 PRO CA C 77 63.453 62.248 1.205 1
1 893 . 9 1 1 A 77 77 PRO HA H 77 4.434 4.607 -0.173 1
1 894 . 9 1 1 A 77 77 PRO CB C 77 32.104 32.953 -0.849 1
1 903 . 9 1 1 A 77 77 PRO C C 77 176.734 175.324 1.410 1
1 904 . 9 1 1 A 78 78 ASN N N 78 118.087 118.465 -0.378 1
1 905 . 9 1 1 A 78 78 ASN H H 78 8.434 8.527 -0.093 1
1 906 . 9 1 1 A 78 78 ASN CA C 78 53.314 52.300 1.014 1
1 907 . 9 1 1 A 78 78 ASN HA H 78 4.653 5.310 -0.657 1
1 908 . 9 1 1 A 78 78 ASN CB C 78 38.823 40.586 -1.763 1
1 914 . 9 1 1 A 78 78 ASN C C 78 174.985 174.374 0.611 1
1 915 . 9 1 1 A 79 79 ASN N N 79 119.198 121.583 -2.385 1
1 916 . 9 1 1 A 79 79 ASN H H 79 8.312 8.691 -0.379 1
1 917 . 9 1 1 A 79 79 ASN CA C 79 53.379 51.532 1.847 1
1 918 . 9 1 1 A 79 79 ASN HA H 79 4.696 5.308 -0.612 1
1 919 . 9 1 1 A 79 79 ASN CB C 79 38.827 41.801 -2.974 1
1 925 . 9 1 1 A 79 79 ASN C C 79 175.132 174.647 0.485 1
1 926 . 9 1 1 A 80 80 LEU N N 80 122.154 120.565 1.589 1
1 927 . 9 1 1 A 80 80 LEU H H 80 8.195 9.026 -0.831 1
1 928 . 9 1 1 A 80 80 LEU CA C 80 55.523 55.717 -0.194 1
1 929 . 9 1 1 A 80 80 LEU HA H 80 4.305 4.034 0.271 1
1 930 . 9 1 1 A 80 80 LEU CB C 80 42.304 40.801 1.503 1
1 943 . 9 1 1 A 80 80 LEU C C 80 177.461 177.570 -0.109 1
1 944 . 9 1 1 A 81 81 GLU N N 81 121.156 118.300 2.856 1
1 945 . 9 1 1 A 81 81 GLU H H 81 8.341 8.216 0.125 1
1 946 . 9 1 1 A 81 81 GLU CA C 81 56.665 55.981 0.684 1
1 947 . 9 1 1 A 81 81 GLU HA H 81 4.253 4.500 -0.247 1
1 948 . 9 1 1 A 81 81 GLU CB C 81 30.219 29.058 1.161 1
1 954 . 9 1 1 A 81 81 GLU C C 81 176.365 176.723 -0.358 1
1 955 . 9 1 1 A 82 82 THR N N 82 114.319 115.962 -1.643 1
1 956 . 9 1 1 A 82 82 THR H H 82 7.970 7.995 -0.025 1
1 957 . 9 1 1 A 82 82 THR CA C 82 61.517 62.117 -0.600 1
1 958 . 9 1 1 A 82 82 THR HA H 82 4.211 4.426 -0.215 1
1 959 . 9 1 1 A 82 82 THR CB C 82 69.881 68.679 1.202 1
1 965 . 9 1 1 A 82 82 THR C C 82 173.812 173.203 0.609 1
1 966 . 9 1 1 A 83 83 TYR N N 83 122.614 120.726 1.888 1
1 967 . 9 1 1 A 83 83 TYR H H 83 8.076 7.600 0.476 1
1 968 . 9 1 1 A 83 83 TYR CA C 83 57.640 56.668 0.972 1
1 969 . 9 1 1 A 83 83 TYR HA H 83 4.444 5.285 -0.841 1
1 970 . 9 1 1 A 83 83 TYR CB C 83 38.964 41.949 -2.985 1
1 981 . 9 1 1 A 83 83 TYR C C 83 175.115 174.828 0.287 1
1 982 . 9 1 1 A 84 84 GLU N N 84 122.790 121.852 0.938 1
1 983 . 9 1 1 A 84 84 GLU H H 84 7.995 8.902 -0.907 1
1 984 . 9 1 1 A 84 84 GLU CA C 84 56.097 55.158 0.939 1
1 985 . 9 1 1 A 84 84 GLU HA H 84 4.227 5.075 -0.848 1
1 986 . 9 1 1 A 84 84 GLU CB C 84 30.506 31.534 -1.028 1
1 992 . 9 1 1 A 84 84 GLU C C 84 174.707 176.868 -2.161 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.365 46.508 -1.143 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.970 4.061 -0.091 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.824 4.062 -0.238 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.351 172.917 1.434 1
1 5 . 10 1 1 A 8 8 GLU N N 8 120.458 125.254 -4.796 1
1 6 . 10 1 1 A 8 8 GLU H H 8 8.288 8.986 -0.698 1
1 7 . 10 1 1 A 8 8 GLU CA C 8 56.663 55.700 0.963 1
1 8 . 10 1 1 A 8 8 GLU HA H 8 4.254 4.695 -0.441 1
1 9 . 10 1 1 A 8 8 GLU CB C 8 30.248 30.542 -0.294 1
1 15 . 10 1 1 A 8 8 GLU C C 8 176.364 175.930 0.434 1
1 16 . 10 1 1 A 9 9 ASP N N 9 120.849 124.057 -3.208 1
1 17 . 10 1 1 A 9 9 ASP H H 9 8.379 8.690 -0.311 1
1 18 . 10 1 1 A 9 9 ASP CA C 9 54.402 53.417 0.985 1
1 19 . 10 1 1 A 9 9 ASP HA H 9 4.543 5.184 -0.641 1
1 20 . 10 1 1 A 9 9 ASP CB C 9 41.035 45.313 -4.278 1
1 23 . 10 1 1 A 9 9 ASP C C 9 176.003 174.367 1.636 1
1 24 . 10 1 1 A 10 10 ASN N N 10 119.270 121.062 -1.792 1
1 25 . 10 1 1 A 10 10 ASN H H 10 8.303 8.736 -0.433 1
1 26 . 10 1 1 A 10 10 ASN CA C 10 53.233 53.069 0.164 1
1 27 . 10 1 1 A 10 10 ASN HA H 10 4.654 5.198 -0.544 1
1 28 . 10 1 1 A 10 10 ASN CB C 10 38.832 41.678 -2.846 1
1 34 . 10 1 1 A 10 10 ASN C C 10 175.079 174.323 0.756 1
1 35 . 10 1 1 A 11 11 ARG N N 11 120.795 125.219 -4.424 1
1 36 . 10 1 1 A 11 11 ARG H H 11 8.132 8.704 -0.572 1
1 37 . 10 1 1 A 11 11 ARG CA C 11 56.092 55.590 0.502 1
1 38 . 10 1 1 A 11 11 ARG HA H 11 4.257 4.590 -0.333 1
1 39 . 10 1 1 A 11 11 ARG CB C 11 30.721 31.425 -0.704 1
1 48 . 10 1 1 A 11 11 ARG C C 11 176.045 175.361 0.684 1
1 49 . 10 1 1 A 12 12 ARG N N 12 123.167 123.210 -0.043 1
1 50 . 10 1 1 A 12 12 ARG H H 12 8.222 8.523 -0.301 1
1 51 . 10 1 1 A 12 12 ARG CA C 12 53.918 54.019 -0.101 1
1 52 . 10 1 1 A 12 12 ARG HA H 12 4.506 4.516 -0.010 1
1 53 . 10 1 1 A 12 12 ARG CB C 12 29.923 31.337 -1.414 1
1 62 . 10 1 1 A 12 12 ARG C C 12 174.073 175.251 -1.178 1
1 63 . 10 1 1 A 13 13 PRO CA C 13 62.815 62.616 0.199 1
1 64 . 10 1 1 A 13 13 PRO HA H 13 4.255 4.716 -0.461 1
1 65 . 10 1 1 A 13 13 PRO CB C 13 31.903 32.989 -1.086 1
1 74 . 10 1 1 A 13 13 PRO C C 13 176.315 176.678 -0.363 1
1 75 . 10 1 1 A 14 14 LEU N N 14 122.009 119.565 2.444 1
1 76 . 10 1 1 A 14 14 LEU H H 14 8.090 8.690 -0.600 1
1 77 . 10 1 1 A 14 14 LEU CA C 14 55.286 56.168 -0.882 1
1 78 . 10 1 1 A 14 14 LEU HA H 14 4.065 4.227 -0.162 1
1 79 . 10 1 1 A 14 14 LEU CB C 14 42.258 42.267 -0.009 1
1 92 . 10 1 1 A 14 14 LEU C C 14 176.610 177.141 -0.531 1
1 93 . 10 1 1 A 15 15 TRP N N 15 120.219 118.517 1.702 1
1 94 . 10 1 1 A 15 15 TRP H H 15 7.582 7.253 0.329 1
1 95 . 10 1 1 A 15 15 TRP CA C 15 56.114 57.796 -1.682 1
1 96 . 10 1 1 A 15 15 TRP HA H 15 4.803 4.742 0.061 1
1 97 . 10 1 1 A 15 15 TRP CB C 15 29.845 29.924 -0.079 1
1 112 . 10 1 1 A 15 15 TRP C C 15 176.093 176.029 0.064 1
1 113 . 10 1 1 A 16 16 GLU N N 16 124.270 120.261 4.009 1
1 114 . 10 1 1 A 16 16 GLU H H 16 8.901 8.381 0.520 1
1 115 . 10 1 1 A 16 16 GLU CA C 16 54.729 53.580 1.149 1
1 116 . 10 1 1 A 16 16 GLU HA H 16 4.471 4.746 -0.275 1
1 117 . 10 1 1 A 16 16 GLU CB C 16 29.173 30.348 -1.175 1
1 123 . 10 1 1 A 16 16 GLU C C 16 175.525 176.397 -0.872 1
1 124 . 10 1 1 A 17 17 PRO CA C 17 64.535 64.910 -0.375 1
1 125 . 10 1 1 A 17 17 PRO HA H 17 4.306 4.369 -0.063 1
1 126 . 10 1 1 A 17 17 PRO CB C 17 32.105 32.158 -0.053 1
1 135 . 10 1 1 A 17 17 PRO C C 17 177.261 178.588 -1.327 1
1 136 . 10 1 1 A 18 18 GLU N N 18 116.089 115.929 0.160 1
1 137 . 10 1 1 A 18 18 GLU H H 18 8.459 8.737 -0.278 1
1 138 . 10 1 1 A 18 18 GLU CA C 18 57.215 58.776 -1.561 1
1 139 . 10 1 1 A 18 18 GLU HA H 18 4.203 4.156 0.047 1
1 140 . 10 1 1 A 18 18 GLU CB C 18 29.321 29.079 0.242 1
1 146 . 10 1 1 A 18 18 GLU C C 18 176.941 177.032 -0.091 1
1 147 . 10 1 1 A 19 19 GLU N N 19 120.173 121.105 -0.932 1
1 148 . 10 1 1 A 19 19 GLU H H 19 7.861 8.009 -0.148 1
1 149 . 10 1 1 A 19 19 GLU CA C 19 56.170 57.048 -0.878 1
1 150 . 10 1 1 A 19 19 GLU HA H 19 4.257 4.391 -0.134 1
1 151 . 10 1 1 A 19 19 GLU CB C 19 30.012 30.448 -0.436 1
1 157 . 10 1 1 A 19 19 GLU C C 19 176.182 176.122 0.060 1
1 158 . 10 1 1 A 20 20 THR N N 20 120.847 118.093 2.754 1
1 159 . 10 1 1 A 20 20 THR H H 20 9.010 8.649 0.361 1
1 160 . 10 1 1 A 20 20 THR CA C 20 63.200 62.024 1.176 1
1 161 . 10 1 1 A 20 20 THR HA H 20 4.188 4.659 -0.471 1
1 162 . 10 1 1 A 20 20 THR CB C 20 69.394 68.702 0.692 1
1 168 . 10 1 1 A 20 20 THR C C 20 172.501 173.827 -1.326 1
1 169 . 10 1 1 A 21 21 VAL N N 21 128.753 128.088 0.665 1
1 170 . 10 1 1 A 21 21 VAL H H 21 8.497 8.871 -0.374 1
1 171 . 10 1 1 A 21 21 VAL CA C 21 61.422 61.479 -0.057 1
1 172 . 10 1 1 A 21 21 VAL HA H 21 4.546 4.465 0.081 1
1 173 . 10 1 1 A 21 21 VAL CB C 21 33.236 32.876 0.360 1
1 183 . 10 1 1 A 21 21 VAL C C 21 175.700 175.538 0.162 1
1 184 . 10 1 1 A 22 22 VAL N N 22 119.061 121.205 -2.144 1
1 185 . 10 1 1 A 22 22 VAL H H 22 9.159 9.249 -0.090 1
1 186 . 10 1 1 A 22 22 VAL CA C 22 57.799 59.528 -1.729 1
1 187 . 10 1 1 A 22 22 VAL HA H 22 5.187 5.347 -0.160 1
1 188 . 10 1 1 A 22 22 VAL CB C 22 35.307 36.119 -0.812 1
1 198 . 10 1 1 A 22 22 VAL C C 22 173.461 174.928 -1.467 1
1 199 . 10 1 1 A 23 23 ILE N N 23 120.660 121.306 -0.646 1
1 200 . 10 1 1 A 23 23 ILE H H 23 9.354 8.524 0.830 1
1 201 . 10 1 1 A 23 23 ILE CA C 23 58.793 59.838 -1.045 1
1 202 . 10 1 1 A 23 23 ILE HA H 23 5.082 5.161 -0.079 1
1 203 . 10 1 1 A 23 23 ILE CB C 23 41.289 42.249 -0.960 1
1 216 . 10 1 1 A 23 23 ILE C C 23 176.270 174.435 1.835 1
1 217 . 10 1 1 A 24 24 ALA N N 24 125.421 128.194 -2.773 1
1 218 . 10 1 1 A 24 24 ALA H H 24 8.184 8.510 -0.326 1
1 219 . 10 1 1 A 24 24 ALA CA C 24 51.461 51.372 0.089 1
1 220 . 10 1 1 A 24 24 ALA HA H 24 4.982 4.828 0.154 1
1 221 . 10 1 1 A 24 24 ALA CB C 24 20.231 19.835 0.396 1
1 225 . 10 1 1 A 24 24 ALA C C 24 178.664 177.812 0.852 1
1 226 . 10 1 1 A 25 25 LEU N N 25 126.185 125.088 1.097 1
1 227 . 10 1 1 A 25 25 LEU H H 25 9.388 8.862 0.526 1
1 228 . 10 1 1 A 25 25 LEU CA C 25 55.799 55.851 -0.052 1
1 229 . 10 1 1 A 25 25 LEU HA H 25 3.875 3.969 -0.094 1
1 230 . 10 1 1 A 25 25 LEU CB C 25 43.786 42.113 1.673 1
1 243 . 10 1 1 A 25 25 LEU C C 25 175.686 176.431 -0.745 1
1 244 . 10 1 1 A 26 26 TYR N N 26 110.488 116.066 -5.578 1
1 245 . 10 1 1 A 26 26 TYR H H 26 6.878 7.630 -0.752 1
1 246 . 10 1 1 A 26 26 TYR CA C 26 53.575 56.351 -2.776 1
1 247 . 10 1 1 A 26 26 TYR HA H 26 4.744 5.225 -0.481 1
1 248 . 10 1 1 A 26 26 TYR CB C 26 42.393 42.658 -0.265 1
1 259 . 10 1 1 A 26 26 TYR C C 26 173.800 174.329 -0.529 1
1 260 . 10 1 1 A 27 27 ASP N N 27 117.327 122.280 -4.953 1
1 261 . 10 1 1 A 27 27 ASP H H 27 8.278 8.747 -0.469 1
1 262 . 10 1 1 A 27 27 ASP CA C 27 54.522 53.378 1.144 1
1 263 . 10 1 1 A 27 27 ASP HA H 27 4.639 5.245 -0.606 1
1 264 . 10 1 1 A 27 27 ASP CB C 27 41.944 40.313 1.631 1
1 267 . 10 1 1 A 27 27 ASP C C 27 176.000 174.949 1.051 1
1 268 . 10 1 1 A 28 28 TYR N N 28 121.747 126.609 -4.862 1
1 269 . 10 1 1 A 28 28 TYR H H 28 8.724 8.858 -0.134 1
1 270 . 10 1 1 A 28 28 TYR CA C 28 57.938 59.333 -1.395 1
1 271 . 10 1 1 A 28 28 TYR HA H 28 4.934 4.864 0.070 1
1 272 . 10 1 1 A 28 28 TYR CB C 28 42.161 39.284 2.877 1
1 283 . 10 1 1 A 28 28 TYR C C 28 173.834 174.447 -0.613 1
1 284 . 10 1 1 A 29 29 GLN N N 29 126.180 125.439 0.741 1
1 285 . 10 1 1 A 29 29 GLN H H 29 7.959 7.900 0.059 1
1 286 . 10 1 1 A 29 29 GLN CA C 29 54.153 53.828 0.325 1
1 287 . 10 1 1 A 29 29 GLN HA H 29 4.507 5.000 -0.493 1
1 288 . 10 1 1 A 29 29 GLN CB C 29 29.854 32.217 -2.363 1
1 297 . 10 1 1 A 29 29 GLN C C 29 173.966 174.955 -0.989 1
1 298 . 10 1 1 A 30 30 THR N N 30 115.009 115.835 -0.826 1
1 299 . 10 1 1 A 30 30 THR H H 30 7.982 8.567 -0.585 1
1 300 . 10 1 1 A 30 30 THR CA C 30 59.769 61.392 -1.623 1
1 301 . 10 1 1 A 30 30 THR HA H 30 4.319 4.725 -0.406 1
1 302 . 10 1 1 A 30 30 THR CB C 30 69.002 71.974 -2.972 1
1 308 . 10 1 1 A 30 30 THR C C 30 172.388 173.400 -1.012 1
1 309 . 10 1 1 A 31 31 ASN N N 31 121.715 125.307 -3.592 1
1 310 . 10 1 1 A 31 31 ASN H H 31 8.702 8.749 -0.047 1
1 311 . 10 1 1 A 31 31 ASN CA C 31 52.449 52.998 -0.549 1
1 312 . 10 1 1 A 31 31 ASN HA H 31 4.787 4.906 -0.119 1
1 313 . 10 1 1 A 31 31 ASN CB C 31 39.822 38.646 1.176 1
1 319 . 10 1 1 A 31 31 ASN C C 31 174.579 173.117 1.462 1
1 320 . 10 1 1 A 32 32 ASP N N 32 124.854 118.733 6.121 1
1 321 . 10 1 1 A 32 32 ASP H H 32 8.333 7.520 0.813 1
1 322 . 10 1 1 A 32 32 ASP CA C 32 51.996 50.563 1.433 1
1 323 . 10 1 1 A 32 32 ASP HA H 32 4.827 5.056 -0.229 1
1 324 . 10 1 1 A 32 32 ASP CB C 32 43.075 42.477 0.598 1
1 327 . 10 1 1 A 32 32 ASP C C 32 176.135 175.862 0.273 1
1 328 . 10 1 1 A 33 33 PRO CA C 33 64.451 65.059 -0.608 1
1 329 . 10 1 1 A 33 33 PRO HA H 33 4.490 4.300 0.190 1
1 330 . 10 1 1 A 33 33 PRO CB C 33 32.425 31.899 0.526 1
1 339 . 10 1 1 A 33 33 PRO C C 33 177.612 178.650 -1.038 1
1 340 . 10 1 1 A 34 34 GLN N N 34 116.032 115.063 0.969 1
1 341 . 10 1 1 A 34 34 GLN H H 34 8.906 8.547 0.359 1
1 342 . 10 1 1 A 34 34 GLN CA C 34 56.080 57.902 -1.822 1
1 343 . 10 1 1 A 34 34 GLN HA H 34 4.559 4.070 0.489 1
1 344 . 10 1 1 A 34 34 GLN CB C 34 29.488 27.592 1.896 1
1 353 . 10 1 1 A 34 34 GLN C C 34 176.811 176.219 0.592 1
1 354 . 10 1 1 A 35 35 GLU N N 35 120.585 119.908 0.677 1
1 355 . 10 1 1 A 35 35 GLU H H 35 7.905 7.898 0.007 1
1 356 . 10 1 1 A 35 35 GLU CA C 35 55.147 55.060 0.087 1
1 357 . 10 1 1 A 35 35 GLU HA H 35 5.370 4.696 0.674 1
1 358 . 10 1 1 A 35 35 GLU CB C 35 33.394 30.919 2.475 1
1 364 . 10 1 1 A 35 35 GLU C C 35 174.508 175.368 -0.860 1
1 365 . 10 1 1 A 36 36 LEU N N 36 122.127 124.079 -1.952 1
1 366 . 10 1 1 A 36 36 LEU H H 36 7.553 8.839 -1.286 1
1 367 . 10 1 1 A 36 36 LEU CA C 36 53.375 53.471 -0.096 1
1 368 . 10 1 1 A 36 36 LEU HA H 36 4.415 5.077 -0.662 1
1 369 . 10 1 1 A 36 36 LEU CB C 36 45.685 46.408 -0.723 1
1 382 . 10 1 1 A 36 36 LEU C C 36 173.533 174.438 -0.905 1
1 383 . 10 1 1 A 37 37 ALA N N 37 124.419 128.453 -4.034 1
1 384 . 10 1 1 A 37 37 ALA H H 37 7.813 8.650 -0.837 1
1 385 . 10 1 1 A 37 37 ALA CA C 37 51.854 51.309 0.545 1
1 386 . 10 1 1 A 37 37 ALA HA H 37 4.581 4.833 -0.252 1
1 387 . 10 1 1 A 37 37 ALA CB C 37 19.371 19.520 -0.149 1
1 391 . 10 1 1 A 37 37 ALA C C 37 177.822 176.838 0.984 1
1 392 . 10 1 1 A 38 38 LEU N N 38 116.787 124.324 -7.537 1
1 393 . 10 1 1 A 38 38 LEU H H 38 8.656 8.668 -0.012 1
1 394 . 10 1 1 A 38 38 LEU CA C 38 52.952 55.666 -2.714 1
1 395 . 10 1 1 A 38 38 LEU HA H 38 5.026 4.121 0.905 1
1 396 . 10 1 1 A 38 38 LEU CB C 38 45.223 42.118 3.105 1
1 409 . 10 1 1 A 38 38 LEU C C 38 177.842 176.623 1.219 1
1 410 . 10 1 1 A 39 39 ARG N N 39 123.462 124.594 -1.132 1
1 411 . 10 1 1 A 39 39 ARG H H 39 8.333 9.180 -0.847 1
1 412 . 10 1 1 A 39 39 ARG CA C 39 53.731 54.802 -1.071 1
1 413 . 10 1 1 A 39 39 ARG HA H 39 4.977 4.997 -0.020 1
1 414 . 10 1 1 A 39 39 ARG CB C 39 32.431 32.702 -0.271 1
1 423 . 10 1 1 A 39 39 ARG C C 39 174.595 176.295 -1.700 1
1 424 . 10 1 1 A 40 40 ARG N N 40 123.974 127.456 -3.482 1
1 425 . 10 1 1 A 40 40 ARG H H 40 8.899 8.760 0.139 1
1 426 . 10 1 1 A 40 40 ARG CA C 40 58.302 56.852 1.450 1
1 427 . 10 1 1 A 40 40 ARG HA H 40 3.350 4.062 -0.712 1
1 428 . 10 1 1 A 40 40 ARG CB C 40 30.480 30.358 0.122 1
1 437 . 10 1 1 A 40 40 ARG C C 40 176.432 177.091 -0.659 1
1 438 . 10 1 1 A 41 41 ASN N N 41 117.655 123.876 -6.221 1
1 439 . 10 1 1 A 41 41 ASN H H 41 9.246 8.718 0.528 1
1 440 . 10 1 1 A 41 41 ASN CA C 41 55.859 53.987 1.872 1
1 441 . 10 1 1 A 41 41 ASN HA H 41 4.227 4.442 -0.215 1
1 442 . 10 1 1 A 41 41 ASN CB C 41 37.555 36.306 1.249 1
1 448 . 10 1 1 A 41 41 ASN C C 41 174.318 174.201 0.117 1
1 449 . 10 1 1 A 42 42 GLU N N 42 122.758 118.907 3.851 1
1 450 . 10 1 1 A 42 42 GLU H H 42 8.419 7.822 0.597 1
1 451 . 10 1 1 A 42 42 GLU CA C 42 56.625 54.943 1.682 1
1 452 . 10 1 1 A 42 42 GLU HA H 42 4.445 4.818 -0.373 1
1 453 . 10 1 1 A 42 42 GLU CB C 42 29.887 33.013 -3.126 1
1 459 . 10 1 1 A 42 42 GLU C C 42 173.885 175.397 -1.512 1
1 460 . 10 1 1 A 43 43 GLU N N 43 119.431 121.956 -2.525 1
1 461 . 10 1 1 A 43 43 GLU H H 43 7.901 8.594 -0.693 1
1 462 . 10 1 1 A 43 43 GLU CA C 43 54.997 56.561 -1.564 1
1 463 . 10 1 1 A 43 43 GLU HA H 43 5.106 4.936 0.170 1
1 464 . 10 1 1 A 43 43 GLU CB C 43 32.392 31.127 1.265 1
1 470 . 10 1 1 A 43 43 GLU C C 43 175.285 175.511 -0.226 1
1 471 . 10 1 1 A 44 44 TYR N N 44 118.011 118.592 -0.581 1
1 472 . 10 1 1 A 44 44 TYR H H 44 9.196 8.621 0.575 1
1 473 . 10 1 1 A 44 44 TYR CA C 44 56.847 56.343 0.504 1
1 474 . 10 1 1 A 44 44 TYR HA H 44 4.708 4.678 0.030 1
1 475 . 10 1 1 A 44 44 TYR CB C 44 42.218 42.594 -0.376 1
1 486 . 10 1 1 A 44 44 TYR C C 44 173.315 174.336 -1.021 1
1 487 . 10 1 1 A 45 45 CYS N N 45 120.674 124.050 -3.376 1
1 488 . 10 1 1 A 45 45 CYS H H 45 8.803 8.579 0.224 1
1 489 . 10 1 1 A 45 45 CYS CA C 45 57.318 58.467 -1.149 1
1 490 . 10 1 1 A 45 45 CYS HA H 45 4.425 4.552 -0.127 1
1 491 . 10 1 1 A 45 45 CYS CB C 45 27.610 28.494 -0.884 1
1 494 . 10 1 1 A 45 45 CYS C C 45 174.817 174.149 0.668 1
1 495 . 10 1 1 A 46 46 LEU N N 46 129.242 127.610 1.632 1
1 496 . 10 1 1 A 46 46 LEU H H 46 8.803 8.241 0.562 1
1 497 . 10 1 1 A 46 46 LEU CA C 46 55.404 55.930 -0.526 1
1 498 . 10 1 1 A 46 46 LEU HA H 46 4.224 4.273 -0.049 1
1 499 . 10 1 1 A 46 46 LEU CB C 46 42.929 42.394 0.535 1
1 512 . 10 1 1 A 46 46 LEU C C 46 174.895 176.076 -1.181 1
1 513 . 10 1 1 A 47 47 LEU N N 47 127.172 128.501 -1.329 1
1 514 . 10 1 1 A 47 47 LEU H H 47 8.780 9.111 -0.331 1
1 515 . 10 1 1 A 47 47 LEU CA C 47 55.322 56.735 -1.413 1
1 516 . 10 1 1 A 47 47 LEU HA H 47 4.478 4.289 0.189 1
1 517 . 10 1 1 A 47 47 LEU CB C 47 42.904 42.311 0.593 1
1 530 . 10 1 1 A 47 47 LEU C C 47 177.543 176.482 1.061 1
1 531 . 10 1 1 A 48 48 ASP N N 48 115.262 115.914 -0.652 1
1 532 . 10 1 1 A 48 48 ASP H H 48 7.516 7.664 -0.148 1
1 533 . 10 1 1 A 48 48 ASP CA C 48 54.649 53.385 1.264 1
1 534 . 10 1 1 A 48 48 ASP HA H 48 4.754 4.923 -0.169 1
1 535 . 10 1 1 A 48 48 ASP CB C 48 43.524 44.669 -1.145 1
1 538 . 10 1 1 A 48 48 ASP C C 48 175.044 174.490 0.554 1
1 539 . 10 1 1 A 49 49 SER N N 49 123.571 118.702 4.869 1
1 540 . 10 1 1 A 49 49 SER H H 49 8.911 8.286 0.625 1
1 541 . 10 1 1 A 49 49 SER CA C 49 56.641 56.561 0.080 1
1 542 . 10 1 1 A 49 49 SER HA H 49 4.019 4.592 -0.573 1
1 543 . 10 1 1 A 49 49 SER CB C 49 62.018 62.262 -0.244 1
1 546 . 10 1 1 A 49 49 SER C C 49 173.953 175.519 -1.566 1
1 547 . 10 1 1 A 50 50 SER N N 50 118.555 117.008 1.547 1
1 548 . 10 1 1 A 50 50 SER H H 50 8.528 8.391 0.137 1
1 549 . 10 1 1 A 50 50 SER CA C 50 61.824 61.436 0.388 1
1 550 . 10 1 1 A 50 50 SER HA H 50 4.050 4.058 -0.008 1
1 551 . 10 1 1 A 50 50 SER CB C 50 63.334 63.071 0.263 1
1 554 . 10 1 1 A 50 50 SER C C 50 175.507 174.339 1.168 1
1 555 . 10 1 1 A 51 51 GLU N N 51 123.653 118.308 5.345 1
1 556 . 10 1 1 A 51 51 GLU H H 51 8.756 8.095 0.661 1
1 557 . 10 1 1 A 51 51 GLU CA C 51 55.391 54.642 0.749 1
1 558 . 10 1 1 A 51 51 GLU HA H 51 4.690 4.743 -0.053 1
1 559 . 10 1 1 A 51 51 GLU CB C 51 30.112 31.986 -1.874 1
1 565 . 10 1 1 A 51 51 GLU C C 51 176.574 176.167 0.407 1
1 566 . 10 1 1 A 52 52 ILE N N 52 117.495 121.562 -4.067 1
1 567 . 10 1 1 A 52 52 ILE H H 52 8.223 8.444 -0.221 1
1 568 . 10 1 1 A 52 52 ILE CA C 52 64.478 63.014 1.464 1
1 569 . 10 1 1 A 52 52 ILE HA H 52 3.946 4.352 -0.406 1
1 570 . 10 1 1 A 52 52 ILE CB C 52 38.365 38.353 0.012 1
1 583 . 10 1 1 A 52 52 ILE C C 52 178.681 177.628 1.053 1
1 584 . 10 1 1 A 53 53 HIS N N 53 116.338 116.976 -0.638 1
1 585 . 10 1 1 A 53 53 HIS H H 53 8.529 7.747 0.782 1
1 586 . 10 1 1 A 53 53 HIS CA C 53 57.974 58.386 -0.412 1
1 587 . 10 1 1 A 53 53 HIS HA H 53 4.332 3.976 0.356 1
1 588 . 10 1 1 A 53 53 HIS CB C 53 31.646 29.368 2.278 1
1 595 . 10 1 1 A 53 53 HIS C C 53 175.678 175.133 0.545 1
1 596 . 10 1 1 A 54 54 TRP N N 54 120.664 116.613 4.051 1
1 597 . 10 1 1 A 54 54 TRP H H 54 7.298 8.061 -0.763 1
1 598 . 10 1 1 A 54 54 TRP CA C 54 55.972 55.494 0.478 1
1 599 . 10 1 1 A 54 54 TRP HA H 54 5.142 5.377 -0.235 1
1 600 . 10 1 1 A 54 54 TRP CB C 54 31.957 30.148 1.809 1
1 615 . 10 1 1 A 54 54 TRP C C 54 174.289 175.497 -1.208 1
1 616 . 10 1 1 A 55 55 TRP N N 55 124.636 124.442 0.194 1
1 617 . 10 1 1 A 55 55 TRP H H 55 9.260 9.371 -0.111 1
1 618 . 10 1 1 A 55 55 TRP CA C 55 53.365 55.615 -2.250 1
1 619 . 10 1 1 A 55 55 TRP HA H 55 5.503 5.147 0.356 1
1 620 . 10 1 1 A 55 55 TRP CB C 55 32.591 31.683 0.908 1
1 635 . 10 1 1 A 55 55 TRP C C 55 174.620 175.761 -1.141 1
1 636 . 10 1 1 A 56 56 ARG N N 56 122.963 124.817 -1.854 1
1 637 . 10 1 1 A 56 56 ARG H H 56 8.876 8.799 0.077 1
1 638 . 10 1 1 A 56 56 ARG CA C 56 55.250 55.538 -0.288 1
1 639 . 10 1 1 A 56 56 ARG HA H 56 4.716 4.954 -0.238 1
1 640 . 10 1 1 A 56 56 ARG CB C 56 32.705 31.475 1.230 1
1 651 . 10 1 1 A 56 56 ARG C C 56 175.777 176.035 -0.258 1
1 652 . 10 1 1 A 57 57 VAL N N 57 119.683 119.597 0.086 1
1 653 . 10 1 1 A 57 57 VAL H H 57 8.784 9.019 -0.235 1
1 654 . 10 1 1 A 57 57 VAL CA C 57 58.632 58.792 -0.160 1
1 655 . 10 1 1 A 57 57 VAL HA H 57 5.356 5.019 0.337 1
1 656 . 10 1 1 A 57 57 VAL CB C 57 36.354 36.298 0.056 1
1 666 . 10 1 1 A 57 57 VAL C C 57 172.758 173.408 -0.650 1
1 667 . 10 1 1 A 58 58 GLN N N 58 118.904 120.632 -1.728 1
1 668 . 10 1 1 A 58 58 GLN H H 58 8.911 9.146 -0.235 1
1 669 . 10 1 1 A 58 58 GLN CA C 58 53.324 54.234 -0.910 1
1 670 . 10 1 1 A 58 58 GLN HA H 58 5.677 5.675 0.002 1
1 671 . 10 1 1 A 58 58 GLN CB C 58 35.149 32.412 2.737 1
1 680 . 10 1 1 A 58 58 GLN C C 58 175.711 174.094 1.617 1
1 681 . 10 1 1 A 59 59 ASP N N 59 125.232 126.119 -0.887 1
1 682 . 10 1 1 A 59 59 ASP H H 59 9.274 9.242 0.032 1
1 683 . 10 1 1 A 59 59 ASP CA C 59 52.577 53.499 -0.922 1
1 684 . 10 1 1 A 59 59 ASP HA H 59 5.257 4.678 0.579 1
1 685 . 10 1 1 A 59 59 ASP CB C 59 43.563 42.037 1.526 1
1 688 . 10 1 1 A 59 59 ASP C C 59 178.615 177.553 1.062 1
1 689 . 10 1 1 A 60 60 ARG N N 60 117.439 123.147 -5.708 1
1 690 . 10 1 1 A 60 60 ARG H H 60 9.177 8.832 0.345 1
1 691 . 10 1 1 A 60 60 ARG CA C 60 57.908 58.979 -1.071 1
1 692 . 10 1 1 A 60 60 ARG HA H 60 3.987 4.227 -0.240 1
1 693 . 10 1 1 A 60 60 ARG CB C 60 29.590 29.876 -0.286 1
1 702 . 10 1 1 A 60 60 ARG C C 60 176.395 178.428 -2.033 1
1 703 . 10 1 1 A 61 61 ASN N N 61 117.081 115.929 1.152 1
1 704 . 10 1 1 A 61 61 ASN H H 61 8.294 7.420 0.874 1
1 705 . 10 1 1 A 61 61 ASN CA C 61 53.024 53.992 -0.968 1
1 706 . 10 1 1 A 61 61 ASN HA H 61 4.852 4.519 0.333 1
1 707 . 10 1 1 A 61 61 ASN CB C 61 39.662 38.689 0.973 1
1 713 . 10 1 1 A 61 61 ASN C C 61 175.197 175.458 -0.261 1
1 714 . 10 1 1 A 62 62 GLY N N 62 107.804 105.944 1.860 1
1 715 . 10 1 1 A 62 62 GLY H H 62 8.195 7.688 0.507 1
1 716 . 10 1 1 A 62 62 GLY CA C 62 45.423 45.080 0.343 1
1 717 . 10 1 1 A 62 62 GLY HA2 H 62 3.551 4.123 -0.572 1
1 718 . 10 1 1 A 62 62 GLY HA3 H 62 4.225 4.151 0.074 1
1 719 . 10 1 1 A 62 62 GLY C C 62 174.475 174.378 0.097 1
1 720 . 10 1 1 A 63 63 HIS N N 63 122.780 118.058 4.722 1
1 721 . 10 1 1 A 63 63 HIS H H 63 8.615 7.824 0.791 1
1 722 . 10 1 1 A 63 63 HIS CA C 63 55.653 55.867 -0.214 1
1 723 . 10 1 1 A 63 63 HIS HA H 63 4.784 4.943 -0.159 1
1 724 . 10 1 1 A 63 63 HIS CB C 63 29.357 33.774 -4.417 1
1 731 . 10 1 1 A 63 63 HIS C C 63 173.926 174.285 -0.359 1
1 732 . 10 1 1 A 64 64 GLU N N 64 119.741 118.042 1.699 1
1 733 . 10 1 1 A 64 64 GLU H H 64 8.681 9.140 -0.459 1
1 734 . 10 1 1 A 64 64 GLU CA C 64 53.989 55.054 -1.065 1
1 735 . 10 1 1 A 64 64 GLU HA H 64 5.835 5.076 0.759 1
1 736 . 10 1 1 A 64 64 GLU CB C 64 34.417 33.448 0.969 1
1 742 . 10 1 1 A 64 64 GLU C C 64 176.358 174.702 1.656 1
1 743 . 10 1 1 A 65 65 GLY N N 65 105.646 106.213 -0.567 1
1 744 . 10 1 1 A 65 65 GLY H H 65 8.399 8.376 0.023 1
1 745 . 10 1 1 A 65 65 GLY CA C 65 45.368 45.436 -0.068 1
1 746 . 10 1 1 A 65 65 GLY HA2 H 65 3.959 4.026 -0.067 1
1 747 . 10 1 1 A 65 65 GLY HA3 H 65 3.835 4.157 -0.322 1
1 748 . 10 1 1 A 65 65 GLY C C 65 170.819 171.215 -0.396 1
1 749 . 10 1 1 A 66 66 TYR N N 66 119.001 119.992 -0.991 1
1 750 . 10 1 1 A 66 66 TYR H H 66 8.863 8.691 0.172 1
1 751 . 10 1 1 A 66 66 TYR CA C 66 59.140 58.861 0.279 1
1 752 . 10 1 1 A 66 66 TYR HA H 66 5.317 4.904 0.413 1
1 753 . 10 1 1 A 66 66 TYR CB C 66 40.974 38.579 2.395 1
1 764 . 10 1 1 A 66 66 TYR C C 66 176.158 176.063 0.095 1
1 765 . 10 1 1 A 67 67 VAL N N 67 112.145 118.481 -6.336 1
1 766 . 10 1 1 A 67 67 VAL H H 67 9.180 8.372 0.808 1
1 767 . 10 1 1 A 67 67 VAL CA C 67 57.686 58.197 -0.511 1
1 768 . 10 1 1 A 67 67 VAL HA H 67 4.803 4.979 -0.176 1
1 769 . 10 1 1 A 67 67 VAL CB C 67 33.564 33.756 -0.192 1
1 779 . 10 1 1 A 67 67 VAL C C 67 172.139 173.374 -1.235 1
1 780 . 10 1 1 A 68 68 PRO CA C 68 61.422 62.417 -0.995 1
1 781 . 10 1 1 A 68 68 PRO HA H 68 3.745 4.648 -0.903 1
1 782 . 10 1 1 A 68 68 PRO CB C 68 30.557 31.232 -0.675 1
1 791 . 10 1 1 A 68 68 PRO C C 68 178.674 177.309 1.365 1
1 792 . 10 1 1 A 69 69 SER N N 69 122.331 122.233 0.098 1
1 793 . 10 1 1 A 69 69 SER H H 69 7.791 8.745 -0.954 1
1 794 . 10 1 1 A 69 69 SER CA C 69 60.162 60.938 -0.776 1
1 795 . 10 1 1 A 69 69 SER HA H 69 2.790 3.890 -1.100 1
1 796 . 10 1 1 A 69 69 SER CB C 69 60.021 61.851 -1.830 1
1 799 . 10 1 1 A 69 69 SER C C 69 176.238 176.117 0.121 1
1 800 . 10 1 1 A 70 70 SER N N 70 114.849 116.885 -2.036 1
1 801 . 10 1 1 A 70 70 SER H H 70 7.812 7.890 -0.078 1
1 802 . 10 1 1 A 70 70 SER CA C 70 59.590 62.571 -2.981 1
1 803 . 10 1 1 A 70 70 SER HA H 70 4.095 4.006 0.089 1
1 804 . 10 1 1 A 70 70 SER CB C 70 62.885 63.316 -0.431 1
1 807 . 10 1 1 A 70 70 SER C C 70 175.286 176.490 -1.204 1
1 808 . 10 1 1 A 71 71 TYR N N 71 122.244 119.066 3.178 1
1 809 . 10 1 1 A 71 71 TYR H H 71 7.593 7.979 -0.386 1
1 810 . 10 1 1 A 71 71 TYR CA C 71 58.102 60.501 -2.399 1
1 811 . 10 1 1 A 71 71 TYR HA H 71 4.496 4.332 0.164 1
1 812 . 10 1 1 A 71 71 TYR CB C 71 37.631 38.759 -1.128 1
1 823 . 10 1 1 A 71 71 TYR C C 71 174.002 176.458 -2.456 1
1 824 . 10 1 1 A 72 72 LEU N N 72 119.079 119.324 -0.245 1
1 825 . 10 1 1 A 72 72 LEU H H 72 7.270 7.082 0.188 1
1 826 . 10 1 1 A 72 72 LEU CA C 72 53.625 55.508 -1.883 1
1 827 . 10 1 1 A 72 72 LEU HA H 72 5.388 4.540 0.848 1
1 828 . 10 1 1 A 72 72 LEU CB C 72 46.623 42.873 3.750 1
1 841 . 10 1 1 A 72 72 LEU C C 72 175.893 176.325 -0.432 1
1 842 . 10 1 1 A 73 73 VAL N N 73 116.343 118.097 -1.754 1
1 843 . 10 1 1 A 73 73 VAL H H 73 8.610 8.516 0.094 1
1 844 . 10 1 1 A 73 73 VAL CA C 73 59.707 59.305 0.402 1
1 845 . 10 1 1 A 73 73 VAL HA H 73 4.601 4.746 -0.145 1
1 846 . 10 1 1 A 73 73 VAL CB C 73 35.811 35.677 0.134 1
1 856 . 10 1 1 A 73 73 VAL C C 73 174.186 174.396 -0.210 1
1 857 . 10 1 1 A 74 74 GLU N N 74 124.925 125.619 -0.694 1
1 858 . 10 1 1 A 74 74 GLU H H 74 8.845 8.544 0.301 1
1 859 . 10 1 1 A 74 74 GLU CA C 74 57.745 56.787 0.958 1
1 860 . 10 1 1 A 74 74 GLU HA H 74 4.363 4.429 -0.066 1
1 861 . 10 1 1 A 74 74 GLU CB C 74 30.164 30.168 -0.004 1
1 867 . 10 1 1 A 74 74 GLU C C 74 176.322 176.391 -0.069 1
1 868 . 10 1 1 A 75 75 LYS N N 75 125.959 128.798 -2.839 1
1 869 . 10 1 1 A 75 75 LYS H H 75 8.556 7.852 0.704 1
1 870 . 10 1 1 A 75 75 LYS CA C 75 57.115 57.412 -0.297 1
1 871 . 10 1 1 A 75 75 LYS HA H 75 4.157 4.290 -0.133 1
1 872 . 10 1 1 A 75 75 LYS CB C 75 33.626 33.018 0.608 1
1 884 . 10 1 1 A 75 75 LYS C C 75 175.944 175.379 0.565 1
1 885 . 10 1 1 A 76 76 SER N N 76 121.519 124.219 -2.700 1
1 886 . 10 1 1 A 76 76 SER H H 76 8.576 8.531 0.045 1
1 887 . 10 1 1 A 76 76 SER CA C 76 56.205 55.410 0.795 1
1 888 . 10 1 1 A 76 76 SER HA H 76 4.809 5.144 -0.335 1
1 889 . 10 1 1 A 76 76 SER CB C 76 63.582 63.717 -0.135 1
1 891 . 10 1 1 A 76 76 SER C C 76 172.875 172.887 -0.012 1
1 892 . 10 1 1 A 77 77 PRO CA C 77 63.453 64.860 -1.407 1
1 893 . 10 1 1 A 77 77 PRO HA H 77 4.434 4.362 0.072 1
1 894 . 10 1 1 A 77 77 PRO CB C 77 32.104 32.074 0.030 1
1 903 . 10 1 1 A 77 77 PRO C C 77 176.734 177.669 -0.935 1
1 904 . 10 1 1 A 78 78 ASN N N 78 118.087 115.787 2.300 1
1 905 . 10 1 1 A 78 78 ASN H H 78 8.434 8.543 -0.109 1
1 906 . 10 1 1 A 78 78 ASN CA C 78 53.314 56.091 -2.777 1
1 907 . 10 1 1 A 78 78 ASN HA H 78 4.653 4.487 0.166 1
1 908 . 10 1 1 A 78 78 ASN CB C 78 38.823 38.793 0.030 1
1 914 . 10 1 1 A 78 78 ASN C C 78 174.985 174.980 0.005 1
1 915 . 10 1 1 A 79 79 ASN N N 79 119.198 115.868 3.330 1
1 916 . 10 1 1 A 79 79 ASN H H 79 8.312 7.799 0.513 1
1 917 . 10 1 1 A 79 79 ASN CA C 79 53.379 52.599 0.780 1
1 918 . 10 1 1 A 79 79 ASN HA H 79 4.696 5.000 -0.304 1
1 919 . 10 1 1 A 79 79 ASN CB C 79 38.827 41.602 -2.775 1
1 925 . 10 1 1 A 79 79 ASN C C 79 175.132 173.277 1.855 1
1 926 . 10 1 1 A 80 80 LEU N N 80 122.154 123.000 -0.846 1
1 927 . 10 1 1 A 80 80 LEU H H 80 8.195 8.751 -0.556 1
1 928 . 10 1 1 A 80 80 LEU CA C 80 55.523 54.465 1.058 1
1 929 . 10 1 1 A 80 80 LEU HA H 80 4.305 4.526 -0.221 1
1 930 . 10 1 1 A 80 80 LEU CB C 80 42.304 42.285 0.019 1
1 943 . 10 1 1 A 80 80 LEU C C 80 177.461 177.016 0.445 1
1 944 . 10 1 1 A 81 81 GLU N N 81 121.156 124.772 -3.616 1
1 945 . 10 1 1 A 81 81 GLU H H 81 8.341 8.779 -0.438 1
1 946 . 10 1 1 A 81 81 GLU CA C 81 56.665 56.223 0.442 1
1 947 . 10 1 1 A 81 81 GLU HA H 81 4.253 4.514 -0.261 1
1 948 . 10 1 1 A 81 81 GLU CB C 81 30.219 29.330 0.889 1
1 954 . 10 1 1 A 81 81 GLU C C 81 176.365 175.845 0.520 1
1 955 . 10 1 1 A 82 82 THR N N 82 114.319 115.956 -1.637 1
1 956 . 10 1 1 A 82 82 THR H H 82 7.970 7.426 0.544 1
1 957 . 10 1 1 A 82 82 THR CA C 82 61.517 62.443 -0.926 1
1 958 . 10 1 1 A 82 82 THR HA H 82 4.211 4.417 -0.206 1
1 959 . 10 1 1 A 82 82 THR CB C 82 69.881 69.626 0.255 1
1 965 . 10 1 1 A 82 82 THR C C 82 173.812 173.932 -0.120 1
1 966 . 10 1 1 A 83 83 TYR N N 83 122.614 126.437 -3.823 1
1 967 . 10 1 1 A 83 83 TYR H H 83 8.076 8.846 -0.770 1
1 968 . 10 1 1 A 83 83 TYR CA C 83 57.640 59.216 -1.576 1
1 969 . 10 1 1 A 83 83 TYR HA H 83 4.444 4.730 -0.286 1
1 970 . 10 1 1 A 83 83 TYR CB C 83 38.964 39.351 -0.387 1
1 981 . 10 1 1 A 83 83 TYR C C 83 175.115 174.863 0.252 1
1 982 . 10 1 1 A 84 84 GLU N N 84 122.790 120.019 2.771 1
1 983 . 10 1 1 A 84 84 GLU H H 84 7.995 8.388 -0.393 1
1 984 . 10 1 1 A 84 84 GLU CA C 84 56.097 54.891 1.206 1
1 985 . 10 1 1 A 84 84 GLU HA H 84 4.227 5.122 -0.895 1
1 986 . 10 1 1 A 84 84 GLU CB C 84 30.506 31.860 -1.354 1
1 992 . 10 1 1 A 84 84 GLU C C 84 174.707 174.713 -0.006 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.365 45.417 -0.052 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.970 4.199 -0.229 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.824 4.202 -0.378 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.351 172.148 2.203 1
1 5 . 11 1 1 A 8 8 GLU N N 8 120.458 122.325 -1.867 1
1 6 . 11 1 1 A 8 8 GLU H H 8 8.288 9.067 -0.779 1
1 7 . 11 1 1 A 8 8 GLU CA C 8 56.663 54.670 1.993 1
1 8 . 11 1 1 A 8 8 GLU HA H 8 4.254 5.055 -0.801 1
1 9 . 11 1 1 A 8 8 GLU CB C 8 30.248 33.045 -2.797 1
1 15 . 11 1 1 A 8 8 GLU C C 8 176.364 174.675 1.689 1
1 16 . 11 1 1 A 9 9 ASP N N 9 120.849 119.942 0.907 1
1 17 . 11 1 1 A 9 9 ASP H H 9 8.379 8.912 -0.533 1
1 18 . 11 1 1 A 9 9 ASP CA C 9 54.402 55.610 -1.208 1
1 19 . 11 1 1 A 9 9 ASP HA H 9 4.543 4.803 -0.260 1
1 20 . 11 1 1 A 9 9 ASP CB C 9 41.035 41.760 -0.725 1
1 23 . 11 1 1 A 9 9 ASP C C 9 176.003 176.176 -0.173 1
1 24 . 11 1 1 A 10 10 ASN N N 10 119.270 114.319 4.951 1
1 25 . 11 1 1 A 10 10 ASN H H 10 8.303 7.900 0.403 1
1 26 . 11 1 1 A 10 10 ASN CA C 10 53.233 52.640 0.593 1
1 27 . 11 1 1 A 10 10 ASN HA H 10 4.654 5.047 -0.393 1
1 28 . 11 1 1 A 10 10 ASN CB C 10 38.832 42.324 -3.492 1
1 34 . 11 1 1 A 10 10 ASN C C 10 175.079 173.924 1.155 1
1 35 . 11 1 1 A 11 11 ARG N N 11 120.795 122.380 -1.585 1
1 36 . 11 1 1 A 11 11 ARG H H 11 8.132 8.607 -0.475 1
1 37 . 11 1 1 A 11 11 ARG CA C 11 56.092 56.003 0.089 1
1 38 . 11 1 1 A 11 11 ARG HA H 11 4.257 4.425 -0.168 1
1 39 . 11 1 1 A 11 11 ARG CB C 11 30.721 29.185 1.536 1
1 48 . 11 1 1 A 11 11 ARG C C 11 176.045 174.992 1.053 1
1 49 . 11 1 1 A 12 12 ARG N N 12 123.167 120.310 2.857 1
1 50 . 11 1 1 A 12 12 ARG H H 12 8.222 7.366 0.856 1
1 51 . 11 1 1 A 12 12 ARG CA C 12 53.918 53.904 0.014 1
1 52 . 11 1 1 A 12 12 ARG HA H 12 4.506 4.853 -0.347 1
1 53 . 11 1 1 A 12 12 ARG CB C 12 29.923 33.189 -3.266 1
1 62 . 11 1 1 A 12 12 ARG C C 12 174.073 173.582 0.491 1
1 63 . 11 1 1 A 13 13 PRO CA C 13 62.815 62.325 0.490 1
1 64 . 11 1 1 A 13 13 PRO HA H 13 4.255 4.624 -0.369 1
1 65 . 11 1 1 A 13 13 PRO CB C 13 31.903 33.185 -1.282 1
1 74 . 11 1 1 A 13 13 PRO C C 13 176.315 176.726 -0.411 1
1 75 . 11 1 1 A 14 14 LEU N N 14 122.009 119.774 2.235 1
1 76 . 11 1 1 A 14 14 LEU H H 14 8.090 8.841 -0.751 1
1 77 . 11 1 1 A 14 14 LEU CA C 14 55.286 57.446 -2.160 1
1 78 . 11 1 1 A 14 14 LEU HA H 14 4.065 4.036 0.029 1
1 79 . 11 1 1 A 14 14 LEU CB C 14 42.258 42.424 -0.166 1
1 92 . 11 1 1 A 14 14 LEU C C 14 176.610 177.009 -0.399 1
1 93 . 11 1 1 A 15 15 TRP N N 15 120.219 117.218 3.001 1
1 94 . 11 1 1 A 15 15 TRP H H 15 7.582 8.064 -0.482 1
1 95 . 11 1 1 A 15 15 TRP CA C 15 56.114 56.746 -0.632 1
1 96 . 11 1 1 A 15 15 TRP HA H 15 4.803 4.996 -0.193 1
1 97 . 11 1 1 A 15 15 TRP CB C 15 29.845 31.603 -1.758 1
1 112 . 11 1 1 A 15 15 TRP C C 15 176.093 175.974 0.119 1
1 113 . 11 1 1 A 16 16 GLU N N 16 124.270 119.281 4.989 1
1 114 . 11 1 1 A 16 16 GLU H H 16 8.901 8.781 0.120 1
1 115 . 11 1 1 A 16 16 GLU CA C 16 54.729 53.385 1.344 1
1 116 . 11 1 1 A 16 16 GLU HA H 16 4.471 4.867 -0.396 1
1 117 . 11 1 1 A 16 16 GLU CB C 16 29.173 30.862 -1.689 1
1 123 . 11 1 1 A 16 16 GLU C C 16 175.525 176.268 -0.743 1
1 124 . 11 1 1 A 17 17 PRO CA C 17 64.535 64.651 -0.116 1
1 125 . 11 1 1 A 17 17 PRO HA H 17 4.306 4.372 -0.066 1
1 126 . 11 1 1 A 17 17 PRO CB C 17 32.105 32.150 -0.045 1
1 135 . 11 1 1 A 17 17 PRO C C 17 177.261 177.702 -0.441 1
1 136 . 11 1 1 A 18 18 GLU N N 18 116.089 117.561 -1.472 1
1 137 . 11 1 1 A 18 18 GLU H H 18 8.459 8.443 0.016 1
1 138 . 11 1 1 A 18 18 GLU CA C 18 57.215 59.502 -2.287 1
1 139 . 11 1 1 A 18 18 GLU HA H 18 4.203 4.108 0.095 1
1 140 . 11 1 1 A 18 18 GLU CB C 18 29.321 29.532 -0.211 1
1 146 . 11 1 1 A 18 18 GLU C C 18 176.941 176.845 0.096 1
1 147 . 11 1 1 A 19 19 GLU N N 19 120.173 118.918 1.255 1
1 148 . 11 1 1 A 19 19 GLU H H 19 7.861 7.911 -0.050 1
1 149 . 11 1 1 A 19 19 GLU CA C 19 56.170 55.575 0.595 1
1 150 . 11 1 1 A 19 19 GLU HA H 19 4.257 4.541 -0.284 1
1 151 . 11 1 1 A 19 19 GLU CB C 19 30.012 30.283 -0.271 1
1 157 . 11 1 1 A 19 19 GLU C C 19 176.182 176.178 0.004 1
1 158 . 11 1 1 A 20 20 THR N N 20 120.847 118.727 2.120 1
1 159 . 11 1 1 A 20 20 THR H H 20 9.010 8.582 0.428 1
1 160 . 11 1 1 A 20 20 THR CA C 20 63.200 62.626 0.574 1
1 161 . 11 1 1 A 20 20 THR HA H 20 4.188 4.477 -0.289 1
1 162 . 11 1 1 A 20 20 THR CB C 20 69.394 68.125 1.269 1
1 168 . 11 1 1 A 20 20 THR C C 20 172.501 173.980 -1.479 1
1 169 . 11 1 1 A 21 21 VAL N N 21 128.753 127.688 1.065 1
1 170 . 11 1 1 A 21 21 VAL H H 21 8.497 8.420 0.077 1
1 171 . 11 1 1 A 21 21 VAL CA C 21 61.422 61.868 -0.446 1
1 172 . 11 1 1 A 21 21 VAL HA H 21 4.546 4.659 -0.113 1
1 173 . 11 1 1 A 21 21 VAL CB C 21 33.236 32.089 1.147 1
1 183 . 11 1 1 A 21 21 VAL C C 21 175.700 175.974 -0.274 1
1 184 . 11 1 1 A 22 22 VAL N N 22 119.061 122.638 -3.577 1
1 185 . 11 1 1 A 22 22 VAL H H 22 9.159 9.398 -0.239 1
1 186 . 11 1 1 A 22 22 VAL CA C 22 57.799 59.442 -1.643 1
1 187 . 11 1 1 A 22 22 VAL HA H 22 5.187 5.298 -0.111 1
1 188 . 11 1 1 A 22 22 VAL CB C 22 35.307 34.625 0.682 1
1 198 . 11 1 1 A 22 22 VAL C C 22 173.461 174.509 -1.048 1
1 199 . 11 1 1 A 23 23 ILE N N 23 120.660 121.795 -1.135 1
1 200 . 11 1 1 A 23 23 ILE H H 23 9.354 8.740 0.614 1
1 201 . 11 1 1 A 23 23 ILE CA C 23 58.793 59.744 -0.951 1
1 202 . 11 1 1 A 23 23 ILE HA H 23 5.082 5.001 0.081 1
1 203 . 11 1 1 A 23 23 ILE CB C 23 41.289 41.661 -0.372 1
1 216 . 11 1 1 A 23 23 ILE C C 23 176.270 174.395 1.875 1
1 217 . 11 1 1 A 24 24 ALA N N 24 125.421 128.093 -2.672 1
1 218 . 11 1 1 A 24 24 ALA H H 24 8.184 8.438 -0.254 1
1 219 . 11 1 1 A 24 24 ALA CA C 24 51.461 51.006 0.455 1
1 220 . 11 1 1 A 24 24 ALA HA H 24 4.982 4.992 -0.010 1
1 221 . 11 1 1 A 24 24 ALA CB C 24 20.231 19.938 0.293 1
1 225 . 11 1 1 A 24 24 ALA C C 24 178.664 177.631 1.033 1
1 226 . 11 1 1 A 25 25 LEU N N 25 126.185 125.223 0.962 1
1 227 . 11 1 1 A 25 25 LEU H H 25 9.388 8.844 0.544 1
1 228 . 11 1 1 A 25 25 LEU CA C 25 55.799 55.861 -0.062 1
1 229 . 11 1 1 A 25 25 LEU HA H 25 3.875 4.050 -0.175 1
1 230 . 11 1 1 A 25 25 LEU CB C 25 43.786 42.632 1.154 1
1 243 . 11 1 1 A 25 25 LEU C C 25 175.686 176.635 -0.949 1
1 244 . 11 1 1 A 26 26 TYR N N 26 110.488 115.214 -4.726 1
1 245 . 11 1 1 A 26 26 TYR H H 26 6.878 7.724 -0.846 1
1 246 . 11 1 1 A 26 26 TYR CA C 26 53.575 56.416 -2.841 1
1 247 . 11 1 1 A 26 26 TYR HA H 26 4.744 5.184 -0.440 1
1 248 . 11 1 1 A 26 26 TYR CB C 26 42.393 42.195 0.198 1
1 259 . 11 1 1 A 26 26 TYR C C 26 173.800 174.716 -0.916 1
1 260 . 11 1 1 A 27 27 ASP N N 27 117.327 122.274 -4.947 1
1 261 . 11 1 1 A 27 27 ASP H H 27 8.278 8.729 -0.451 1
1 262 . 11 1 1 A 27 27 ASP CA C 27 54.522 53.368 1.154 1
1 263 . 11 1 1 A 27 27 ASP HA H 27 4.639 5.085 -0.446 1
1 264 . 11 1 1 A 27 27 ASP CB C 27 41.944 41.125 0.819 1
1 267 . 11 1 1 A 27 27 ASP C C 27 176.000 175.037 0.963 1
1 268 . 11 1 1 A 28 28 TYR N N 28 121.747 126.432 -4.685 1
1 269 . 11 1 1 A 28 28 TYR H H 28 8.724 9.254 -0.530 1
1 270 . 11 1 1 A 28 28 TYR CA C 28 57.938 58.971 -1.033 1
1 271 . 11 1 1 A 28 28 TYR HA H 28 4.934 5.004 -0.070 1
1 272 . 11 1 1 A 28 28 TYR CB C 28 42.161 39.596 2.565 1
1 283 . 11 1 1 A 28 28 TYR C C 28 173.834 174.745 -0.911 1
1 284 . 11 1 1 A 29 29 GLN N N 29 126.180 121.525 4.655 1
1 285 . 11 1 1 A 29 29 GLN H H 29 7.959 8.055 -0.096 1
1 286 . 11 1 1 A 29 29 GLN CA C 29 54.153 54.124 0.029 1
1 287 . 11 1 1 A 29 29 GLN HA H 29 4.507 4.992 -0.485 1
1 288 . 11 1 1 A 29 29 GLN CB C 29 29.854 32.521 -2.667 1
1 297 . 11 1 1 A 29 29 GLN C C 29 173.966 173.167 0.799 1
1 298 . 11 1 1 A 30 30 THR N N 30 115.009 113.805 1.204 1
1 299 . 11 1 1 A 30 30 THR H H 30 7.982 8.462 -0.480 1
1 300 . 11 1 1 A 30 30 THR CA C 30 59.769 59.833 -0.064 1
1 301 . 11 1 1 A 30 30 THR HA H 30 4.319 4.851 -0.532 1
1 302 . 11 1 1 A 30 30 THR CB C 30 69.002 71.210 -2.208 1
1 308 . 11 1 1 A 30 30 THR C C 30 172.388 173.719 -1.331 1
1 309 . 11 1 1 A 31 31 ASN N N 31 121.715 122.529 -0.814 1
1 310 . 11 1 1 A 31 31 ASN H H 31 8.702 8.879 -0.177 1
1 311 . 11 1 1 A 31 31 ASN CA C 31 52.449 52.971 -0.522 1
1 312 . 11 1 1 A 31 31 ASN HA H 31 4.787 4.787 0.000 1
1 313 . 11 1 1 A 31 31 ASN CB C 31 39.822 39.648 0.174 1
1 319 . 11 1 1 A 31 31 ASN C C 31 174.579 174.771 -0.192 1
1 320 . 11 1 1 A 32 32 ASP N N 32 124.854 120.404 4.450 1
1 321 . 11 1 1 A 32 32 ASP H H 32 8.333 7.784 0.549 1
1 322 . 11 1 1 A 32 32 ASP CA C 32 51.996 51.449 0.547 1
1 323 . 11 1 1 A 32 32 ASP HA H 32 4.827 4.873 -0.046 1
1 324 . 11 1 1 A 32 32 ASP CB C 32 43.075 41.077 1.998 1
1 327 . 11 1 1 A 32 32 ASP C C 32 176.135 175.706 0.429 1
1 328 . 11 1 1 A 33 33 PRO CA C 33 64.451 65.400 -0.949 1
1 329 . 11 1 1 A 33 33 PRO HA H 33 4.490 4.246 0.244 1
1 330 . 11 1 1 A 33 33 PRO CB C 33 32.425 31.855 0.570 1
1 339 . 11 1 1 A 33 33 PRO C C 33 177.612 178.606 -0.994 1
1 340 . 11 1 1 A 34 34 GLN N N 34 116.032 115.894 0.138 1
1 341 . 11 1 1 A 34 34 GLN H H 34 8.906 8.879 0.027 1
1 342 . 11 1 1 A 34 34 GLN CA C 34 56.080 58.436 -2.356 1
1 343 . 11 1 1 A 34 34 GLN HA H 34 4.559 4.034 0.525 1
1 344 . 11 1 1 A 34 34 GLN CB C 34 29.488 28.431 1.057 1
1 353 . 11 1 1 A 34 34 GLN C C 34 176.811 176.578 0.233 1
1 354 . 11 1 1 A 35 35 GLU N N 35 120.585 119.193 1.392 1
1 355 . 11 1 1 A 35 35 GLU H H 35 7.905 7.916 -0.011 1
1 356 . 11 1 1 A 35 35 GLU CA C 35 55.147 56.242 -1.095 1
1 357 . 11 1 1 A 35 35 GLU HA H 35 5.370 4.478 0.892 1
1 358 . 11 1 1 A 35 35 GLU CB C 35 33.394 30.394 3.000 1
1 364 . 11 1 1 A 35 35 GLU C C 35 174.508 175.226 -0.718 1
1 365 . 11 1 1 A 36 36 LEU N N 36 122.127 124.934 -2.807 1
1 366 . 11 1 1 A 36 36 LEU H H 36 7.553 8.444 -0.891 1
1 367 . 11 1 1 A 36 36 LEU CA C 36 53.375 53.346 0.029 1
1 368 . 11 1 1 A 36 36 LEU HA H 36 4.415 5.238 -0.823 1
1 369 . 11 1 1 A 36 36 LEU CB C 36 45.685 45.705 -0.020 1
1 382 . 11 1 1 A 36 36 LEU C C 36 173.533 174.980 -1.447 1
1 383 . 11 1 1 A 37 37 ALA N N 37 124.419 128.408 -3.989 1
1 384 . 11 1 1 A 37 37 ALA H H 37 7.813 8.761 -0.948 1
1 385 . 11 1 1 A 37 37 ALA CA C 37 51.854 50.969 0.885 1
1 386 . 11 1 1 A 37 37 ALA HA H 37 4.581 4.800 -0.219 1
1 387 . 11 1 1 A 37 37 ALA CB C 37 19.371 19.590 -0.219 1
1 391 . 11 1 1 A 37 37 ALA C C 37 177.822 177.068 0.754 1
1 392 . 11 1 1 A 38 38 LEU N N 38 116.787 124.247 -7.460 1
1 393 . 11 1 1 A 38 38 LEU H H 38 8.656 8.716 -0.060 1
1 394 . 11 1 1 A 38 38 LEU CA C 38 52.952 55.593 -2.641 1
1 395 . 11 1 1 A 38 38 LEU HA H 38 5.026 4.233 0.793 1
1 396 . 11 1 1 A 38 38 LEU CB C 38 45.223 42.574 2.649 1
1 409 . 11 1 1 A 38 38 LEU C C 38 177.842 176.272 1.570 1
1 410 . 11 1 1 A 39 39 ARG N N 39 123.462 122.377 1.085 1
1 411 . 11 1 1 A 39 39 ARG H H 39 8.333 8.826 -0.493 1
1 412 . 11 1 1 A 39 39 ARG CA C 39 53.731 54.373 -0.642 1
1 413 . 11 1 1 A 39 39 ARG HA H 39 4.977 5.134 -0.157 1
1 414 . 11 1 1 A 39 39 ARG CB C 39 32.431 33.814 -1.383 1
1 423 . 11 1 1 A 39 39 ARG C C 39 174.595 175.614 -1.019 1
1 424 . 11 1 1 A 40 40 ARG N N 40 123.974 127.994 -4.020 1
1 425 . 11 1 1 A 40 40 ARG H H 40 8.899 8.743 0.156 1
1 426 . 11 1 1 A 40 40 ARG CA C 40 58.302 57.853 0.449 1
1 427 . 11 1 1 A 40 40 ARG HA H 40 3.350 3.996 -0.646 1
1 428 . 11 1 1 A 40 40 ARG CB C 40 30.480 30.074 0.406 1
1 437 . 11 1 1 A 40 40 ARG C C 40 176.432 177.019 -0.587 1
1 438 . 11 1 1 A 41 41 ASN N N 41 117.655 119.378 -1.723 1
1 439 . 11 1 1 A 41 41 ASN H H 41 9.246 8.846 0.400 1
1 440 . 11 1 1 A 41 41 ASN CA C 41 55.859 54.388 1.471 1
1 441 . 11 1 1 A 41 41 ASN HA H 41 4.227 4.280 -0.053 1
1 442 . 11 1 1 A 41 41 ASN CB C 41 37.555 36.914 0.641 1
1 448 . 11 1 1 A 41 41 ASN C C 41 174.318 173.910 0.408 1
1 449 . 11 1 1 A 42 42 GLU N N 42 122.758 117.423 5.335 1
1 450 . 11 1 1 A 42 42 GLU H H 42 8.419 7.768 0.651 1
1 451 . 11 1 1 A 42 42 GLU CA C 42 56.625 55.216 1.409 1
1 452 . 11 1 1 A 42 42 GLU HA H 42 4.445 4.727 -0.282 1
1 453 . 11 1 1 A 42 42 GLU CB C 42 29.887 33.455 -3.568 1
1 459 . 11 1 1 A 42 42 GLU C C 42 173.885 175.325 -1.440 1
1 460 . 11 1 1 A 43 43 GLU N N 43 119.431 123.599 -4.168 1
1 461 . 11 1 1 A 43 43 GLU H H 43 7.901 8.720 -0.819 1
1 462 . 11 1 1 A 43 43 GLU CA C 43 54.997 56.663 -1.666 1
1 463 . 11 1 1 A 43 43 GLU HA H 43 5.106 4.945 0.161 1
1 464 . 11 1 1 A 43 43 GLU CB C 43 32.392 30.951 1.441 1
1 470 . 11 1 1 A 43 43 GLU C C 43 175.285 175.336 -0.051 1
1 471 . 11 1 1 A 44 44 TYR N N 44 118.011 118.429 -0.418 1
1 472 . 11 1 1 A 44 44 TYR H H 44 9.196 8.754 0.442 1
1 473 . 11 1 1 A 44 44 TYR CA C 44 56.847 56.445 0.402 1
1 474 . 11 1 1 A 44 44 TYR HA H 44 4.708 4.722 -0.014 1
1 475 . 11 1 1 A 44 44 TYR CB C 44 42.218 42.729 -0.511 1
1 486 . 11 1 1 A 44 44 TYR C C 44 173.315 174.155 -0.840 1
1 487 . 11 1 1 A 45 45 CYS N N 45 120.674 123.731 -3.057 1
1 488 . 11 1 1 A 45 45 CYS H H 45 8.803 8.531 0.272 1
1 489 . 11 1 1 A 45 45 CYS CA C 45 57.318 57.933 -0.615 1
1 490 . 11 1 1 A 45 45 CYS HA H 45 4.425 4.701 -0.276 1
1 491 . 11 1 1 A 45 45 CYS CB C 45 27.610 28.552 -0.942 1
1 494 . 11 1 1 A 45 45 CYS C C 45 174.817 174.025 0.792 1
1 495 . 11 1 1 A 46 46 LEU N N 46 129.242 128.707 0.535 1
1 496 . 11 1 1 A 46 46 LEU H H 46 8.803 8.426 0.377 1
1 497 . 11 1 1 A 46 46 LEU CA C 46 55.404 56.532 -1.128 1
1 498 . 11 1 1 A 46 46 LEU HA H 46 4.224 4.223 0.001 1
1 499 . 11 1 1 A 46 46 LEU CB C 46 42.929 42.366 0.563 1
1 512 . 11 1 1 A 46 46 LEU C C 46 174.895 176.343 -1.448 1
1 513 . 11 1 1 A 47 47 LEU N N 47 127.172 127.760 -0.588 1
1 514 . 11 1 1 A 47 47 LEU H H 47 8.780 9.310 -0.530 1
1 515 . 11 1 1 A 47 47 LEU CA C 47 55.322 56.411 -1.089 1
1 516 . 11 1 1 A 47 47 LEU HA H 47 4.478 4.325 0.153 1
1 517 . 11 1 1 A 47 47 LEU CB C 47 42.904 42.400 0.504 1
1 530 . 11 1 1 A 47 47 LEU C C 47 177.543 176.402 1.141 1
1 531 . 11 1 1 A 48 48 ASP N N 48 115.262 116.373 -1.111 1
1 532 . 11 1 1 A 48 48 ASP H H 48 7.516 7.608 -0.092 1
1 533 . 11 1 1 A 48 48 ASP CA C 48 54.649 52.743 1.906 1
1 534 . 11 1 1 A 48 48 ASP HA H 48 4.754 4.955 -0.201 1
1 535 . 11 1 1 A 48 48 ASP CB C 48 43.524 45.500 -1.976 1
1 538 . 11 1 1 A 48 48 ASP C C 48 175.044 174.343 0.701 1
1 539 . 11 1 1 A 49 49 SER N N 49 123.571 114.997 8.574 1
1 540 . 11 1 1 A 49 49 SER H H 49 8.911 8.267 0.644 1
1 541 . 11 1 1 A 49 49 SER CA C 49 56.641 56.072 0.569 1
1 542 . 11 1 1 A 49 49 SER HA H 49 4.019 4.513 -0.494 1
1 543 . 11 1 1 A 49 49 SER CB C 49 62.018 62.402 -0.384 1
1 546 . 11 1 1 A 49 49 SER C C 49 173.953 175.435 -1.482 1
1 547 . 11 1 1 A 50 50 SER N N 50 118.555 116.790 1.765 1
1 548 . 11 1 1 A 50 50 SER H H 50 8.528 8.170 0.358 1
1 549 . 11 1 1 A 50 50 SER CA C 50 61.824 61.497 0.327 1
1 550 . 11 1 1 A 50 50 SER HA H 50 4.050 4.195 -0.145 1
1 551 . 11 1 1 A 50 50 SER CB C 50 63.334 63.078 0.256 1
1 554 . 11 1 1 A 50 50 SER C C 50 175.507 174.565 0.942 1
1 555 . 11 1 1 A 51 51 GLU N N 51 123.653 118.817 4.836 1
1 556 . 11 1 1 A 51 51 GLU H H 51 8.756 8.146 0.610 1
1 557 . 11 1 1 A 51 51 GLU CA C 51 55.391 54.978 0.413 1
1 558 . 11 1 1 A 51 51 GLU HA H 51 4.690 4.630 0.060 1
1 559 . 11 1 1 A 51 51 GLU CB C 51 30.112 30.940 -0.828 1
1 565 . 11 1 1 A 51 51 GLU C C 51 176.574 176.583 -0.009 1
1 566 . 11 1 1 A 52 52 ILE N N 52 117.495 123.415 -5.920 1
1 567 . 11 1 1 A 52 52 ILE H H 52 8.223 8.651 -0.428 1
1 568 . 11 1 1 A 52 52 ILE CA C 52 64.478 63.409 1.069 1
1 569 . 11 1 1 A 52 52 ILE HA H 52 3.946 4.199 -0.253 1
1 570 . 11 1 1 A 52 52 ILE CB C 52 38.365 38.045 0.320 1
1 583 . 11 1 1 A 52 52 ILE C C 52 178.681 177.681 1.000 1
1 584 . 11 1 1 A 53 53 HIS N N 53 116.338 116.815 -0.477 1
1 585 . 11 1 1 A 53 53 HIS H H 53 8.529 7.716 0.813 1
1 586 . 11 1 1 A 53 53 HIS CA C 53 57.974 59.025 -1.051 1
1 587 . 11 1 1 A 53 53 HIS HA H 53 4.332 4.082 0.250 1
1 588 . 11 1 1 A 53 53 HIS CB C 53 31.646 29.816 1.830 1
1 595 . 11 1 1 A 53 53 HIS C C 53 175.678 174.621 1.057 1
1 596 . 11 1 1 A 54 54 TRP N N 54 120.664 116.543 4.121 1
1 597 . 11 1 1 A 54 54 TRP H H 54 7.298 7.958 -0.660 1
1 598 . 11 1 1 A 54 54 TRP CA C 54 55.972 55.476 0.496 1
1 599 . 11 1 1 A 54 54 TRP HA H 54 5.142 5.310 -0.168 1
1 600 . 11 1 1 A 54 54 TRP CB C 54 31.957 31.474 0.483 1
1 615 . 11 1 1 A 54 54 TRP C C 54 174.289 175.544 -1.255 1
1 616 . 11 1 1 A 55 55 TRP N N 55 124.636 123.542 1.094 1
1 617 . 11 1 1 A 55 55 TRP H H 55 9.260 9.409 -0.149 1
1 618 . 11 1 1 A 55 55 TRP CA C 55 53.365 55.605 -2.240 1
1 619 . 11 1 1 A 55 55 TRP HA H 55 5.503 5.266 0.237 1
1 620 . 11 1 1 A 55 55 TRP CB C 55 32.591 32.753 -0.162 1
1 635 . 11 1 1 A 55 55 TRP C C 55 174.620 175.542 -0.922 1
1 636 . 11 1 1 A 56 56 ARG N N 56 122.963 124.704 -1.741 1
1 637 . 11 1 1 A 56 56 ARG H H 56 8.876 8.917 -0.041 1
1 638 . 11 1 1 A 56 56 ARG CA C 56 55.250 55.613 -0.363 1
1 639 . 11 1 1 A 56 56 ARG HA H 56 4.716 5.106 -0.390 1
1 640 . 11 1 1 A 56 56 ARG CB C 56 32.705 31.370 1.335 1
1 651 . 11 1 1 A 56 56 ARG C C 56 175.777 176.052 -0.275 1
1 652 . 11 1 1 A 57 57 VAL N N 57 119.683 120.099 -0.416 1
1 653 . 11 1 1 A 57 57 VAL H H 57 8.784 8.558 0.226 1
1 654 . 11 1 1 A 57 57 VAL CA C 57 58.632 58.730 -0.098 1
1 655 . 11 1 1 A 57 57 VAL HA H 57 5.356 5.121 0.235 1
1 656 . 11 1 1 A 57 57 VAL CB C 57 36.354 36.094 0.260 1
1 666 . 11 1 1 A 57 57 VAL C C 57 172.758 173.669 -0.911 1
1 667 . 11 1 1 A 58 58 GLN N N 58 118.904 120.901 -1.997 1
1 668 . 11 1 1 A 58 58 GLN H H 58 8.911 8.869 0.042 1
1 669 . 11 1 1 A 58 58 GLN CA C 58 53.324 53.848 -0.524 1
1 670 . 11 1 1 A 58 58 GLN HA H 58 5.677 5.206 0.471 1
1 671 . 11 1 1 A 58 58 GLN CB C 58 35.149 32.387 2.762 1
1 680 . 11 1 1 A 58 58 GLN C C 58 175.711 173.998 1.713 1
1 681 . 11 1 1 A 59 59 ASP N N 59 125.232 125.259 -0.027 1
1 682 . 11 1 1 A 59 59 ASP H H 59 9.274 9.227 0.047 1
1 683 . 11 1 1 A 59 59 ASP CA C 59 52.577 53.326 -0.749 1
1 684 . 11 1 1 A 59 59 ASP HA H 59 5.257 4.847 0.410 1
1 685 . 11 1 1 A 59 59 ASP CB C 59 43.563 42.332 1.231 1
1 688 . 11 1 1 A 59 59 ASP C C 59 178.615 177.091 1.524 1
1 689 . 11 1 1 A 60 60 ARG N N 60 117.439 125.715 -8.276 1
1 690 . 11 1 1 A 60 60 ARG H H 60 9.177 8.866 0.311 1
1 691 . 11 1 1 A 60 60 ARG CA C 60 57.908 59.394 -1.486 1
1 692 . 11 1 1 A 60 60 ARG HA H 60 3.987 4.087 -0.100 1
1 693 . 11 1 1 A 60 60 ARG CB C 60 29.590 29.808 -0.218 1
1 702 . 11 1 1 A 60 60 ARG C C 60 176.395 177.886 -1.491 1
1 703 . 11 1 1 A 61 61 ASN N N 61 117.081 114.431 2.650 1
1 704 . 11 1 1 A 61 61 ASN H H 61 8.294 7.818 0.476 1
1 705 . 11 1 1 A 61 61 ASN CA C 61 53.024 54.147 -1.123 1
1 706 . 11 1 1 A 61 61 ASN HA H 61 4.852 4.457 0.395 1
1 707 . 11 1 1 A 61 61 ASN CB C 61 39.662 38.627 1.035 1
1 713 . 11 1 1 A 61 61 ASN C C 61 175.197 175.340 -0.143 1
1 714 . 11 1 1 A 62 62 GLY N N 62 107.804 105.848 1.956 1
1 715 . 11 1 1 A 62 62 GLY H H 62 8.195 7.486 0.709 1
1 716 . 11 1 1 A 62 62 GLY CA C 62 45.423 44.975 0.448 1
1 717 . 11 1 1 A 62 62 GLY HA2 H 62 3.551 4.048 -0.497 1
1 718 . 11 1 1 A 62 62 GLY HA3 H 62 4.225 4.051 0.174 1
1 719 . 11 1 1 A 62 62 GLY C C 62 174.475 174.303 0.172 1
1 720 . 11 1 1 A 63 63 HIS N N 63 122.780 118.130 4.650 1
1 721 . 11 1 1 A 63 63 HIS H H 63 8.615 7.856 0.759 1
1 722 . 11 1 1 A 63 63 HIS CA C 63 55.653 55.206 0.447 1
1 723 . 11 1 1 A 63 63 HIS HA H 63 4.784 4.883 -0.099 1
1 724 . 11 1 1 A 63 63 HIS CB C 63 29.357 32.032 -2.675 1
1 731 . 11 1 1 A 63 63 HIS C C 63 173.926 174.916 -0.990 1
1 732 . 11 1 1 A 64 64 GLU N N 64 119.741 121.163 -1.422 1
1 733 . 11 1 1 A 64 64 GLU H H 64 8.681 8.882 -0.201 1
1 734 . 11 1 1 A 64 64 GLU CA C 64 53.989 54.272 -0.283 1
1 735 . 11 1 1 A 64 64 GLU HA H 64 5.835 5.493 0.342 1
1 736 . 11 1 1 A 64 64 GLU CB C 64 34.417 33.044 1.373 1
1 742 . 11 1 1 A 64 64 GLU C C 64 176.358 175.405 0.953 1
1 743 . 11 1 1 A 65 65 GLY N N 65 105.646 106.389 -0.743 1
1 744 . 11 1 1 A 65 65 GLY H H 65 8.399 7.996 0.403 1
1 745 . 11 1 1 A 65 65 GLY CA C 65 45.368 45.881 -0.513 1
1 746 . 11 1 1 A 65 65 GLY HA2 H 65 3.959 3.993 -0.034 1
1 747 . 11 1 1 A 65 65 GLY HA3 H 65 3.835 4.150 -0.315 1
1 748 . 11 1 1 A 65 65 GLY C C 65 170.819 170.981 -0.162 1
1 749 . 11 1 1 A 66 66 TYR N N 66 119.001 120.095 -1.094 1
1 750 . 11 1 1 A 66 66 TYR H H 66 8.863 8.076 0.787 1
1 751 . 11 1 1 A 66 66 TYR CA C 66 59.140 57.469 1.671 1
1 752 . 11 1 1 A 66 66 TYR HA H 66 5.317 5.249 0.068 1
1 753 . 11 1 1 A 66 66 TYR CB C 66 40.974 40.230 0.744 1
1 764 . 11 1 1 A 66 66 TYR C C 66 176.158 175.820 0.338 1
1 765 . 11 1 1 A 67 67 VAL N N 67 112.145 117.659 -5.514 1
1 766 . 11 1 1 A 67 67 VAL H H 67 9.180 8.648 0.532 1
1 767 . 11 1 1 A 67 67 VAL CA C 67 57.686 58.202 -0.516 1
1 768 . 11 1 1 A 67 67 VAL HA H 67 4.803 5.056 -0.253 1
1 769 . 11 1 1 A 67 67 VAL CB C 67 33.564 34.406 -0.842 1
1 779 . 11 1 1 A 67 67 VAL C C 67 172.139 173.238 -1.099 1
1 780 . 11 1 1 A 68 68 PRO CA C 68 61.422 62.400 -0.978 1
1 781 . 11 1 1 A 68 68 PRO HA H 68 3.745 4.637 -0.892 1
1 782 . 11 1 1 A 68 68 PRO CB C 68 30.557 31.161 -0.604 1
1 791 . 11 1 1 A 68 68 PRO C C 68 178.674 177.296 1.378 1
1 792 . 11 1 1 A 69 69 SER N N 69 122.331 121.976 0.355 1
1 793 . 11 1 1 A 69 69 SER H H 69 7.791 8.347 -0.556 1
1 794 . 11 1 1 A 69 69 SER CA C 69 60.162 61.064 -0.902 1
1 795 . 11 1 1 A 69 69 SER HA H 69 2.790 3.804 -1.014 1
1 796 . 11 1 1 A 69 69 SER CB C 69 60.021 61.919 -1.898 1
1 799 . 11 1 1 A 69 69 SER C C 69 176.238 176.056 0.182 1
1 800 . 11 1 1 A 70 70 SER N N 70 114.849 116.131 -1.282 1
1 801 . 11 1 1 A 70 70 SER H H 70 7.812 7.833 -0.021 1
1 802 . 11 1 1 A 70 70 SER CA C 70 59.590 62.330 -2.740 1
1 803 . 11 1 1 A 70 70 SER HA H 70 4.095 4.013 0.082 1
1 804 . 11 1 1 A 70 70 SER CB C 70 62.885 63.152 -0.267 1
1 807 . 11 1 1 A 70 70 SER C C 70 175.286 176.457 -1.171 1
1 808 . 11 1 1 A 71 71 TYR N N 71 122.244 118.790 3.454 1
1 809 . 11 1 1 A 71 71 TYR H H 71 7.593 7.935 -0.342 1
1 810 . 11 1 1 A 71 71 TYR CA C 71 58.102 60.271 -2.169 1
1 811 . 11 1 1 A 71 71 TYR HA H 71 4.496 4.425 0.071 1
1 812 . 11 1 1 A 71 71 TYR CB C 71 37.631 38.893 -1.262 1
1 823 . 11 1 1 A 71 71 TYR C C 71 174.002 176.462 -2.460 1
1 824 . 11 1 1 A 72 72 LEU N N 72 119.079 119.351 -0.272 1
1 825 . 11 1 1 A 72 72 LEU H H 72 7.270 7.123 0.147 1
1 826 . 11 1 1 A 72 72 LEU CA C 72 53.625 55.916 -2.291 1
1 827 . 11 1 1 A 72 72 LEU HA H 72 5.388 4.547 0.841 1
1 828 . 11 1 1 A 72 72 LEU CB C 72 46.623 42.593 4.030 1
1 841 . 11 1 1 A 72 72 LEU C C 72 175.893 176.238 -0.345 1
1 842 . 11 1 1 A 73 73 VAL N N 73 116.343 118.553 -2.210 1
1 843 . 11 1 1 A 73 73 VAL H H 73 8.610 8.878 -0.268 1
1 844 . 11 1 1 A 73 73 VAL CA C 73 59.707 59.197 0.510 1
1 845 . 11 1 1 A 73 73 VAL HA H 73 4.601 4.796 -0.195 1
1 846 . 11 1 1 A 73 73 VAL CB C 73 35.811 35.497 0.314 1
1 856 . 11 1 1 A 73 73 VAL C C 73 174.186 174.332 -0.146 1
1 857 . 11 1 1 A 74 74 GLU N N 74 124.925 125.562 -0.637 1
1 858 . 11 1 1 A 74 74 GLU H H 74 8.845 8.516 0.329 1
1 859 . 11 1 1 A 74 74 GLU CA C 74 57.745 56.945 0.800 1
1 860 . 11 1 1 A 74 74 GLU HA H 74 4.363 4.490 -0.127 1
1 861 . 11 1 1 A 74 74 GLU CB C 74 30.164 30.140 0.024 1
1 867 . 11 1 1 A 74 74 GLU C C 74 176.322 176.352 -0.030 1
1 868 . 11 1 1 A 75 75 LYS N N 75 125.959 129.333 -3.374 1
1 869 . 11 1 1 A 75 75 LYS H H 75 8.556 8.120 0.436 1
1 870 . 11 1 1 A 75 75 LYS CA C 75 57.115 57.218 -0.103 1
1 871 . 11 1 1 A 75 75 LYS HA H 75 4.157 4.286 -0.129 1
1 872 . 11 1 1 A 75 75 LYS CB C 75 33.626 32.734 0.892 1
1 884 . 11 1 1 A 75 75 LYS C C 75 175.944 175.383 0.561 1
1 885 . 11 1 1 A 76 76 SER N N 76 121.519 123.873 -2.354 1
1 886 . 11 1 1 A 76 76 SER H H 76 8.576 8.520 0.056 1
1 887 . 11 1 1 A 76 76 SER CA C 76 56.205 55.520 0.685 1
1 888 . 11 1 1 A 76 76 SER HA H 76 4.809 5.131 -0.322 1
1 889 . 11 1 1 A 76 76 SER CB C 76 63.582 63.827 -0.245 1
1 891 . 11 1 1 A 76 76 SER C C 76 172.875 172.919 -0.044 1
1 892 . 11 1 1 A 77 77 PRO CA C 77 63.453 64.756 -1.303 1
1 893 . 11 1 1 A 77 77 PRO HA H 77 4.434 4.384 0.050 1
1 894 . 11 1 1 A 77 77 PRO CB C 77 32.104 32.041 0.063 1
1 903 . 11 1 1 A 77 77 PRO C C 77 176.734 178.541 -1.807 1
1 904 . 11 1 1 A 78 78 ASN N N 78 118.087 116.707 1.380 1
1 905 . 11 1 1 A 78 78 ASN H H 78 8.434 8.841 -0.407 1
1 906 . 11 1 1 A 78 78 ASN CA C 78 53.314 56.107 -2.793 1
1 907 . 11 1 1 A 78 78 ASN HA H 78 4.653 4.413 0.240 1
1 908 . 11 1 1 A 78 78 ASN CB C 78 38.823 38.576 0.247 1
1 914 . 11 1 1 A 78 78 ASN C C 78 174.985 175.715 -0.730 1
1 915 . 11 1 1 A 79 79 ASN N N 79 119.198 116.848 2.350 1
1 916 . 11 1 1 A 79 79 ASN H H 79 8.312 8.090 0.222 1
1 917 . 11 1 1 A 79 79 ASN CA C 79 53.379 52.198 1.181 1
1 918 . 11 1 1 A 79 79 ASN HA H 79 4.696 5.251 -0.555 1
1 919 . 11 1 1 A 79 79 ASN CB C 79 38.827 41.644 -2.817 1
1 925 . 11 1 1 A 79 79 ASN C C 79 175.132 173.134 1.998 1
1 926 . 11 1 1 A 80 80 LEU N N 80 122.154 126.765 -4.611 1
1 927 . 11 1 1 A 80 80 LEU H H 80 8.195 8.853 -0.658 1
1 928 . 11 1 1 A 80 80 LEU CA C 80 55.523 53.782 1.741 1
1 929 . 11 1 1 A 80 80 LEU HA H 80 4.305 4.868 -0.563 1
1 930 . 11 1 1 A 80 80 LEU CB C 80 42.304 44.128 -1.824 1
1 943 . 11 1 1 A 80 80 LEU C C 80 177.461 176.755 0.706 1
1 944 . 11 1 1 A 81 81 GLU N N 81 121.156 122.609 -1.453 1
1 945 . 11 1 1 A 81 81 GLU H H 81 8.341 8.720 -0.379 1
1 946 . 11 1 1 A 81 81 GLU CA C 81 56.665 55.674 0.991 1
1 947 . 11 1 1 A 81 81 GLU HA H 81 4.253 4.544 -0.291 1
1 948 . 11 1 1 A 81 81 GLU CB C 81 30.219 29.480 0.739 1
1 954 . 11 1 1 A 81 81 GLU C C 81 176.365 175.641 0.724 1
1 955 . 11 1 1 A 82 82 THR N N 82 114.319 110.357 3.962 1
1 956 . 11 1 1 A 82 82 THR H H 82 7.970 7.451 0.519 1
1 957 . 11 1 1 A 82 82 THR CA C 82 61.517 60.034 1.483 1
1 958 . 11 1 1 A 82 82 THR HA H 82 4.211 5.071 -0.860 1
1 959 . 11 1 1 A 82 82 THR CB C 82 69.881 72.723 -2.842 1
1 965 . 11 1 1 A 82 82 THR C C 82 173.812 172.091 1.721 1
1 966 . 11 1 1 A 83 83 TYR N N 83 122.614 119.128 3.486 1
1 967 . 11 1 1 A 83 83 TYR H H 83 8.076 8.820 -0.744 1
1 968 . 11 1 1 A 83 83 TYR CA C 83 57.640 56.501 1.139 1
1 969 . 11 1 1 A 83 83 TYR HA H 83 4.444 5.066 -0.622 1
1 970 . 11 1 1 A 83 83 TYR CB C 83 38.964 42.906 -3.942 1
1 981 . 11 1 1 A 83 83 TYR C C 83 175.115 174.366 0.749 1
1 982 . 11 1 1 A 84 84 GLU N N 84 122.790 122.986 -0.196 1
1 983 . 11 1 1 A 84 84 GLU H H 84 7.995 9.020 -1.025 1
1 984 . 11 1 1 A 84 84 GLU CA C 84 56.097 54.658 1.439 1
1 985 . 11 1 1 A 84 84 GLU HA H 84 4.227 4.896 -0.669 1
1 986 . 11 1 1 A 84 84 GLU CB C 84 30.506 31.032 -0.526 1
1 992 . 11 1 1 A 84 84 GLU C C 84 174.707 176.238 -1.531 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.365 45.326 0.039 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.970 4.173 -0.203 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.824 4.175 -0.351 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.351 172.192 2.159 1
1 5 . 12 1 1 A 8 8 GLU N N 8 120.458 121.622 -1.164 1
1 6 . 12 1 1 A 8 8 GLU H H 8 8.288 8.866 -0.578 1
1 7 . 12 1 1 A 8 8 GLU CA C 8 56.663 54.942 1.721 1
1 8 . 12 1 1 A 8 8 GLU HA H 8 4.254 4.870 -0.616 1
1 9 . 12 1 1 A 8 8 GLU CB C 8 30.248 33.021 -2.773 1
1 15 . 12 1 1 A 8 8 GLU C C 8 176.364 175.496 0.868 1
1 16 . 12 1 1 A 9 9 ASP N N 9 120.849 125.843 -4.994 1
1 17 . 12 1 1 A 9 9 ASP H H 9 8.379 8.982 -0.603 1
1 18 . 12 1 1 A 9 9 ASP CA C 9 54.402 53.772 0.630 1
1 19 . 12 1 1 A 9 9 ASP HA H 9 4.543 4.730 -0.187 1
1 20 . 12 1 1 A 9 9 ASP CB C 9 41.035 39.663 1.372 1
1 23 . 12 1 1 A 9 9 ASP C C 9 176.003 175.145 0.858 1
1 24 . 12 1 1 A 10 10 ASN N N 10 119.270 124.334 -5.064 1
1 25 . 12 1 1 A 10 10 ASN H H 10 8.303 8.703 -0.400 1
1 26 . 12 1 1 A 10 10 ASN CA C 10 53.233 52.737 0.496 1
1 27 . 12 1 1 A 10 10 ASN HA H 10 4.654 4.800 -0.146 1
1 28 . 12 1 1 A 10 10 ASN CB C 10 38.832 37.609 1.223 1
1 34 . 12 1 1 A 10 10 ASN C C 10 175.079 173.951 1.128 1
1 35 . 12 1 1 A 11 11 ARG N N 11 120.795 125.212 -4.417 1
1 36 . 12 1 1 A 11 11 ARG H H 11 8.132 8.596 -0.464 1
1 37 . 12 1 1 A 11 11 ARG CA C 11 56.092 54.483 1.609 1
1 38 . 12 1 1 A 11 11 ARG HA H 11 4.257 5.000 -0.743 1
1 39 . 12 1 1 A 11 11 ARG CB C 11 30.721 33.189 -2.468 1
1 48 . 12 1 1 A 11 11 ARG C C 11 176.045 174.207 1.838 1
1 49 . 12 1 1 A 12 12 ARG N N 12 123.167 123.492 -0.325 1
1 50 . 12 1 1 A 12 12 ARG H H 12 8.222 8.661 -0.439 1
1 51 . 12 1 1 A 12 12 ARG CA C 12 53.918 53.779 0.139 1
1 52 . 12 1 1 A 12 12 ARG HA H 12 4.506 4.745 -0.239 1
1 53 . 12 1 1 A 12 12 ARG CB C 12 29.923 31.853 -1.930 1
1 62 . 12 1 1 A 12 12 ARG C C 12 174.073 174.914 -0.841 1
1 63 . 12 1 1 A 13 13 PRO CA C 13 62.815 62.546 0.269 1
1 64 . 12 1 1 A 13 13 PRO HA H 13 4.255 4.668 -0.413 1
1 65 . 12 1 1 A 13 13 PRO CB C 13 31.903 32.693 -0.790 1
1 74 . 12 1 1 A 13 13 PRO C C 13 176.315 177.289 -0.974 1
1 75 . 12 1 1 A 14 14 LEU N N 14 122.009 119.801 2.208 1
1 76 . 12 1 1 A 14 14 LEU H H 14 8.090 8.984 -0.894 1
1 77 . 12 1 1 A 14 14 LEU CA C 14 55.286 57.481 -2.195 1
1 78 . 12 1 1 A 14 14 LEU HA H 14 4.065 3.963 0.102 1
1 79 . 12 1 1 A 14 14 LEU CB C 14 42.258 42.438 -0.180 1
1 92 . 12 1 1 A 14 14 LEU C C 14 176.610 176.795 -0.185 1
1 93 . 12 1 1 A 15 15 TRP N N 15 120.219 117.081 3.138 1
1 94 . 12 1 1 A 15 15 TRP H H 15 7.582 8.247 -0.665 1
1 95 . 12 1 1 A 15 15 TRP CA C 15 56.114 56.524 -0.410 1
1 96 . 12 1 1 A 15 15 TRP HA H 15 4.803 5.035 -0.232 1
1 97 . 12 1 1 A 15 15 TRP CB C 15 29.845 32.205 -2.360 1
1 112 . 12 1 1 A 15 15 TRP C C 15 176.093 176.439 -0.346 1
1 113 . 12 1 1 A 16 16 GLU N N 16 124.270 121.289 2.981 1
1 114 . 12 1 1 A 16 16 GLU H H 16 8.901 8.891 0.010 1
1 115 . 12 1 1 A 16 16 GLU CA C 16 54.729 54.836 -0.107 1
1 116 . 12 1 1 A 16 16 GLU HA H 16 4.471 4.634 -0.163 1
1 117 . 12 1 1 A 16 16 GLU CB C 16 29.173 29.409 -0.236 1
1 123 . 12 1 1 A 16 16 GLU C C 16 175.525 176.521 -0.996 1
1 124 . 12 1 1 A 17 17 PRO CA C 17 64.535 64.919 -0.384 1
1 125 . 12 1 1 A 17 17 PRO HA H 17 4.306 4.347 -0.041 1
1 126 . 12 1 1 A 17 17 PRO CB C 17 32.105 32.113 -0.008 1
1 135 . 12 1 1 A 17 17 PRO C C 17 177.261 178.217 -0.956 1
1 136 . 12 1 1 A 18 18 GLU N N 18 116.089 116.090 -0.001 1
1 137 . 12 1 1 A 18 18 GLU H H 18 8.459 8.877 -0.418 1
1 138 . 12 1 1 A 18 18 GLU CA C 18 57.215 57.218 -0.003 1
1 139 . 12 1 1 A 18 18 GLU HA H 18 4.203 4.260 -0.057 1
1 140 . 12 1 1 A 18 18 GLU CB C 18 29.321 28.886 0.435 1
1 146 . 12 1 1 A 18 18 GLU C C 18 176.941 176.793 0.148 1
1 147 . 12 1 1 A 19 19 GLU N N 19 120.173 121.377 -1.204 1
1 148 . 12 1 1 A 19 19 GLU H H 19 7.861 7.894 -0.033 1
1 149 . 12 1 1 A 19 19 GLU CA C 19 56.170 55.720 0.450 1
1 150 . 12 1 1 A 19 19 GLU HA H 19 4.257 4.443 -0.186 1
1 151 . 12 1 1 A 19 19 GLU CB C 19 30.012 30.248 -0.236 1
1 157 . 12 1 1 A 19 19 GLU C C 19 176.182 176.147 0.035 1
1 158 . 12 1 1 A 20 20 THR N N 20 120.847 118.489 2.358 1
1 159 . 12 1 1 A 20 20 THR H H 20 9.010 8.530 0.480 1
1 160 . 12 1 1 A 20 20 THR CA C 20 63.200 62.654 0.546 1
1 161 . 12 1 1 A 20 20 THR HA H 20 4.188 4.513 -0.325 1
1 162 . 12 1 1 A 20 20 THR CB C 20 69.394 68.695 0.699 1
1 168 . 12 1 1 A 20 20 THR C C 20 172.501 174.103 -1.602 1
1 169 . 12 1 1 A 21 21 VAL N N 21 128.753 128.207 0.546 1
1 170 . 12 1 1 A 21 21 VAL H H 21 8.497 8.874 -0.377 1
1 171 . 12 1 1 A 21 21 VAL CA C 21 61.422 62.004 -0.582 1
1 172 . 12 1 1 A 21 21 VAL HA H 21 4.546 4.339 0.207 1
1 173 . 12 1 1 A 21 21 VAL CB C 21 33.236 32.002 1.234 1
1 183 . 12 1 1 A 21 21 VAL C C 21 175.700 175.850 -0.150 1
1 184 . 12 1 1 A 22 22 VAL N N 22 119.061 121.708 -2.647 1
1 185 . 12 1 1 A 22 22 VAL H H 22 9.159 9.213 -0.054 1
1 186 . 12 1 1 A 22 22 VAL CA C 22 57.799 59.093 -1.294 1
1 187 . 12 1 1 A 22 22 VAL HA H 22 5.187 5.261 -0.074 1
1 188 . 12 1 1 A 22 22 VAL CB C 22 35.307 35.335 -0.028 1
1 198 . 12 1 1 A 22 22 VAL C C 22 173.461 174.412 -0.951 1
1 199 . 12 1 1 A 23 23 ILE N N 23 120.660 123.975 -3.315 1
1 200 . 12 1 1 A 23 23 ILE H H 23 9.354 9.003 0.351 1
1 201 . 12 1 1 A 23 23 ILE CA C 23 58.793 59.525 -0.732 1
1 202 . 12 1 1 A 23 23 ILE HA H 23 5.082 5.346 -0.264 1
1 203 . 12 1 1 A 23 23 ILE CB C 23 41.289 41.286 0.003 1
1 216 . 12 1 1 A 23 23 ILE C C 23 176.270 174.740 1.530 1
1 217 . 12 1 1 A 24 24 ALA N N 24 125.421 128.334 -2.913 1
1 218 . 12 1 1 A 24 24 ALA H H 24 8.184 8.502 -0.318 1
1 219 . 12 1 1 A 24 24 ALA CA C 24 51.461 51.355 0.106 1
1 220 . 12 1 1 A 24 24 ALA HA H 24 4.982 4.864 0.118 1
1 221 . 12 1 1 A 24 24 ALA CB C 24 20.231 19.637 0.594 1
1 225 . 12 1 1 A 24 24 ALA C C 24 178.664 177.992 0.672 1
1 226 . 12 1 1 A 25 25 LEU N N 25 126.185 125.439 0.746 1
1 227 . 12 1 1 A 25 25 LEU H H 25 9.388 8.729 0.659 1
1 228 . 12 1 1 A 25 25 LEU CA C 25 55.799 56.603 -0.804 1
1 229 . 12 1 1 A 25 25 LEU HA H 25 3.875 3.955 -0.080 1
1 230 . 12 1 1 A 25 25 LEU CB C 25 43.786 42.291 1.495 1
1 243 . 12 1 1 A 25 25 LEU C C 25 175.686 176.279 -0.593 1
1 244 . 12 1 1 A 26 26 TYR N N 26 110.488 115.197 -4.709 1
1 245 . 12 1 1 A 26 26 TYR H H 26 6.878 7.685 -0.807 1
1 246 . 12 1 1 A 26 26 TYR CA C 26 53.575 56.429 -2.854 1
1 247 . 12 1 1 A 26 26 TYR HA H 26 4.744 5.035 -0.291 1
1 248 . 12 1 1 A 26 26 TYR CB C 26 42.393 41.976 0.417 1
1 259 . 12 1 1 A 26 26 TYR C C 26 173.800 173.795 0.005 1
1 260 . 12 1 1 A 27 27 ASP N N 27 117.327 120.620 -3.293 1
1 261 . 12 1 1 A 27 27 ASP H H 27 8.278 9.034 -0.756 1
1 262 . 12 1 1 A 27 27 ASP CA C 27 54.522 52.650 1.872 1
1 263 . 12 1 1 A 27 27 ASP HA H 27 4.639 5.406 -0.767 1
1 264 . 12 1 1 A 27 27 ASP CB C 27 41.944 42.098 -0.154 1
1 267 . 12 1 1 A 27 27 ASP C C 27 176.000 174.350 1.650 1
1 268 . 12 1 1 A 28 28 TYR N N 28 121.747 126.221 -4.474 1
1 269 . 12 1 1 A 28 28 TYR H H 28 8.724 9.256 -0.532 1
1 270 . 12 1 1 A 28 28 TYR CA C 28 57.938 58.290 -0.352 1
1 271 . 12 1 1 A 28 28 TYR HA H 28 4.934 5.058 -0.124 1
1 272 . 12 1 1 A 28 28 TYR CB C 28 42.161 40.313 1.848 1
1 283 . 12 1 1 A 28 28 TYR C C 28 173.834 174.381 -0.547 1
1 284 . 12 1 1 A 29 29 GLN N N 29 126.180 125.579 0.601 1
1 285 . 12 1 1 A 29 29 GLN H H 29 7.959 8.030 -0.071 1
1 286 . 12 1 1 A 29 29 GLN CA C 29 54.153 53.999 0.154 1
1 287 . 12 1 1 A 29 29 GLN HA H 29 4.507 5.063 -0.556 1
1 288 . 12 1 1 A 29 29 GLN CB C 29 29.854 32.515 -2.661 1
1 297 . 12 1 1 A 29 29 GLN C C 29 173.966 174.131 -0.165 1
1 298 . 12 1 1 A 30 30 THR N N 30 115.009 115.235 -0.226 1
1 299 . 12 1 1 A 30 30 THR H H 30 7.982 8.510 -0.528 1
1 300 . 12 1 1 A 30 30 THR CA C 30 59.769 59.968 -0.199 1
1 301 . 12 1 1 A 30 30 THR HA H 30 4.319 4.813 -0.494 1
1 302 . 12 1 1 A 30 30 THR CB C 30 69.002 70.183 -1.181 1
1 308 . 12 1 1 A 30 30 THR C C 30 172.388 172.901 -0.513 1
1 309 . 12 1 1 A 31 31 ASN N N 31 121.715 121.618 0.097 1
1 310 . 12 1 1 A 31 31 ASN H H 31 8.702 8.668 0.034 1
1 311 . 12 1 1 A 31 31 ASN CA C 31 52.449 53.006 -0.557 1
1 312 . 12 1 1 A 31 31 ASN HA H 31 4.787 5.070 -0.283 1
1 313 . 12 1 1 A 31 31 ASN CB C 31 39.822 39.119 0.703 1
1 319 . 12 1 1 A 31 31 ASN C C 31 174.579 173.027 1.552 1
1 320 . 12 1 1 A 32 32 ASP N N 32 124.854 118.788 6.066 1
1 321 . 12 1 1 A 32 32 ASP H H 32 8.333 7.107 1.226 1
1 322 . 12 1 1 A 32 32 ASP CA C 32 51.996 50.475 1.521 1
1 323 . 12 1 1 A 32 32 ASP HA H 32 4.827 4.989 -0.162 1
1 324 . 12 1 1 A 32 32 ASP CB C 32 43.075 42.694 0.381 1
1 327 . 12 1 1 A 32 32 ASP C C 32 176.135 175.963 0.172 1
1 328 . 12 1 1 A 33 33 PRO CA C 33 64.451 64.742 -0.291 1
1 329 . 12 1 1 A 33 33 PRO HA H 33 4.490 4.351 0.139 1
1 330 . 12 1 1 A 33 33 PRO CB C 33 32.425 32.159 0.266 1
1 339 . 12 1 1 A 33 33 PRO C C 33 177.612 178.262 -0.650 1
1 340 . 12 1 1 A 34 34 GLN N N 34 116.032 115.291 0.741 1
1 341 . 12 1 1 A 34 34 GLN H H 34 8.906 8.523 0.383 1
1 342 . 12 1 1 A 34 34 GLN CA C 34 56.080 57.890 -1.810 1
1 343 . 12 1 1 A 34 34 GLN HA H 34 4.559 4.113 0.446 1
1 344 . 12 1 1 A 34 34 GLN CB C 34 29.488 27.828 1.660 1
1 353 . 12 1 1 A 34 34 GLN C C 34 176.811 176.066 0.745 1
1 354 . 12 1 1 A 35 35 GLU N N 35 120.585 119.563 1.022 1
1 355 . 12 1 1 A 35 35 GLU H H 35 7.905 7.875 0.030 1
1 356 . 12 1 1 A 35 35 GLU CA C 35 55.147 55.418 -0.271 1
1 357 . 12 1 1 A 35 35 GLU HA H 35 5.370 4.654 0.716 1
1 358 . 12 1 1 A 35 35 GLU CB C 35 33.394 30.855 2.539 1
1 364 . 12 1 1 A 35 35 GLU C C 35 174.508 175.470 -0.962 1
1 365 . 12 1 1 A 36 36 LEU N N 36 122.127 126.034 -3.907 1
1 366 . 12 1 1 A 36 36 LEU H H 36 7.553 8.790 -1.237 1
1 367 . 12 1 1 A 36 36 LEU CA C 36 53.375 53.449 -0.074 1
1 368 . 12 1 1 A 36 36 LEU HA H 36 4.415 5.076 -0.661 1
1 369 . 12 1 1 A 36 36 LEU CB C 36 45.685 44.853 0.832 1
1 382 . 12 1 1 A 36 36 LEU C C 36 173.533 175.222 -1.689 1
1 383 . 12 1 1 A 37 37 ALA N N 37 124.419 127.839 -3.420 1
1 384 . 12 1 1 A 37 37 ALA H H 37 7.813 8.973 -1.160 1
1 385 . 12 1 1 A 37 37 ALA CA C 37 51.854 50.636 1.218 1
1 386 . 12 1 1 A 37 37 ALA HA H 37 4.581 5.447 -0.866 1
1 387 . 12 1 1 A 37 37 ALA CB C 37 19.371 20.438 -1.067 1
1 391 . 12 1 1 A 37 37 ALA C C 37 177.822 177.203 0.619 1
1 392 . 12 1 1 A 38 38 LEU N N 38 116.787 123.337 -6.550 1
1 393 . 12 1 1 A 38 38 LEU H H 38 8.656 9.113 -0.457 1
1 394 . 12 1 1 A 38 38 LEU CA C 38 52.952 53.689 -0.737 1
1 395 . 12 1 1 A 38 38 LEU HA H 38 5.026 4.644 0.382 1
1 396 . 12 1 1 A 38 38 LEU CB C 38 45.223 42.629 2.594 1
1 409 . 12 1 1 A 38 38 LEU C C 38 177.842 176.183 1.659 1
1 410 . 12 1 1 A 39 39 ARG N N 39 123.462 121.329 2.133 1
1 411 . 12 1 1 A 39 39 ARG H H 39 8.333 8.755 -0.422 1
1 412 . 12 1 1 A 39 39 ARG CA C 39 53.731 54.388 -0.657 1
1 413 . 12 1 1 A 39 39 ARG HA H 39 4.977 5.051 -0.074 1
1 414 . 12 1 1 A 39 39 ARG CB C 39 32.431 34.224 -1.793 1
1 423 . 12 1 1 A 39 39 ARG C C 39 174.595 175.057 -0.462 1
1 424 . 12 1 1 A 40 40 ARG N N 40 123.974 127.493 -3.519 1
1 425 . 12 1 1 A 40 40 ARG H H 40 8.899 8.684 0.215 1
1 426 . 12 1 1 A 40 40 ARG CA C 40 58.302 58.003 0.299 1
1 427 . 12 1 1 A 40 40 ARG HA H 40 3.350 4.009 -0.659 1
1 428 . 12 1 1 A 40 40 ARG CB C 40 30.480 29.916 0.564 1
1 437 . 12 1 1 A 40 40 ARG C C 40 176.432 177.004 -0.572 1
1 438 . 12 1 1 A 41 41 ASN N N 41 117.655 119.086 -1.431 1
1 439 . 12 1 1 A 41 41 ASN H H 41 9.246 8.792 0.454 1
1 440 . 12 1 1 A 41 41 ASN CA C 41 55.859 54.458 1.401 1
1 441 . 12 1 1 A 41 41 ASN HA H 41 4.227 4.351 -0.124 1
1 442 . 12 1 1 A 41 41 ASN CB C 41 37.555 37.023 0.532 1
1 448 . 12 1 1 A 41 41 ASN C C 41 174.318 173.891 0.427 1
1 449 . 12 1 1 A 42 42 GLU N N 42 122.758 117.146 5.612 1
1 450 . 12 1 1 A 42 42 GLU H H 42 8.419 7.736 0.683 1
1 451 . 12 1 1 A 42 42 GLU CA C 42 56.625 55.063 1.562 1
1 452 . 12 1 1 A 42 42 GLU HA H 42 4.445 4.855 -0.410 1
1 453 . 12 1 1 A 42 42 GLU CB C 42 29.887 33.697 -3.810 1
1 459 . 12 1 1 A 42 42 GLU C C 42 173.885 175.375 -1.490 1
1 460 . 12 1 1 A 43 43 GLU N N 43 119.431 122.040 -2.609 1
1 461 . 12 1 1 A 43 43 GLU H H 43 7.901 8.666 -0.765 1
1 462 . 12 1 1 A 43 43 GLU CA C 43 54.997 56.014 -1.017 1
1 463 . 12 1 1 A 43 43 GLU HA H 43 5.106 4.870 0.236 1
1 464 . 12 1 1 A 43 43 GLU CB C 43 32.392 31.117 1.275 1
1 470 . 12 1 1 A 43 43 GLU C C 43 175.285 175.411 -0.126 1
1 471 . 12 1 1 A 44 44 TYR N N 44 118.011 119.304 -1.293 1
1 472 . 12 1 1 A 44 44 TYR H H 44 9.196 8.931 0.265 1
1 473 . 12 1 1 A 44 44 TYR CA C 44 56.847 56.305 0.542 1
1 474 . 12 1 1 A 44 44 TYR HA H 44 4.708 4.725 -0.017 1
1 475 . 12 1 1 A 44 44 TYR CB C 44 42.218 42.403 -0.185 1
1 486 . 12 1 1 A 44 44 TYR C C 44 173.315 174.341 -1.026 1
1 487 . 12 1 1 A 45 45 CYS N N 45 120.674 123.902 -3.228 1
1 488 . 12 1 1 A 45 45 CYS H H 45 8.803 8.923 -0.120 1
1 489 . 12 1 1 A 45 45 CYS CA C 45 57.318 59.263 -1.945 1
1 490 . 12 1 1 A 45 45 CYS HA H 45 4.425 4.427 -0.002 1
1 491 . 12 1 1 A 45 45 CYS CB C 45 27.610 28.358 -0.748 1
1 494 . 12 1 1 A 45 45 CYS C C 45 174.817 174.261 0.556 1
1 495 . 12 1 1 A 46 46 LEU N N 46 129.242 127.171 2.071 1
1 496 . 12 1 1 A 46 46 LEU H H 46 8.803 8.352 0.451 1
1 497 . 12 1 1 A 46 46 LEU CA C 46 55.404 54.436 0.968 1
1 498 . 12 1 1 A 46 46 LEU HA H 46 4.224 4.563 -0.339 1
1 499 . 12 1 1 A 46 46 LEU CB C 46 42.929 42.089 0.840 1
1 512 . 12 1 1 A 46 46 LEU C C 46 174.895 175.814 -0.919 1
1 513 . 12 1 1 A 47 47 LEU N N 47 127.172 128.854 -1.682 1
1 514 . 12 1 1 A 47 47 LEU H H 47 8.780 8.888 -0.108 1
1 515 . 12 1 1 A 47 47 LEU CA C 47 55.322 57.559 -2.237 1
1 516 . 12 1 1 A 47 47 LEU HA H 47 4.478 4.132 0.346 1
1 517 . 12 1 1 A 47 47 LEU CB C 47 42.904 42.495 0.409 1
1 530 . 12 1 1 A 47 47 LEU C C 47 177.543 176.119 1.424 1
1 531 . 12 1 1 A 48 48 ASP N N 48 115.262 116.592 -1.330 1
1 532 . 12 1 1 A 48 48 ASP H H 48 7.516 7.885 -0.369 1
1 533 . 12 1 1 A 48 48 ASP CA C 48 54.649 52.919 1.730 1
1 534 . 12 1 1 A 48 48 ASP HA H 48 4.754 4.957 -0.203 1
1 535 . 12 1 1 A 48 48 ASP CB C 48 43.524 43.982 -0.458 1
1 538 . 12 1 1 A 48 48 ASP C C 48 175.044 174.305 0.739 1
1 539 . 12 1 1 A 49 49 SER N N 49 123.571 117.832 5.739 1
1 540 . 12 1 1 A 49 49 SER H H 49 8.911 8.320 0.591 1
1 541 . 12 1 1 A 49 49 SER CA C 49 56.641 56.339 0.302 1
1 542 . 12 1 1 A 49 49 SER HA H 49 4.019 4.417 -0.398 1
1 543 . 12 1 1 A 49 49 SER CB C 49 62.018 62.365 -0.347 1
1 546 . 12 1 1 A 49 49 SER C C 49 173.953 175.551 -1.598 1
1 547 . 12 1 1 A 50 50 SER N N 50 118.555 117.149 1.406 1
1 548 . 12 1 1 A 50 50 SER H H 50 8.528 8.278 0.250 1
1 549 . 12 1 1 A 50 50 SER CA C 50 61.824 61.928 -0.104 1
1 550 . 12 1 1 A 50 50 SER HA H 50 4.050 4.174 -0.124 1
1 551 . 12 1 1 A 50 50 SER CB C 50 63.334 62.867 0.467 1
1 554 . 12 1 1 A 50 50 SER C C 50 175.507 174.938 0.569 1
1 555 . 12 1 1 A 51 51 GLU N N 51 123.653 119.967 3.686 1
1 556 . 12 1 1 A 51 51 GLU H H 51 8.756 8.108 0.648 1
1 557 . 12 1 1 A 51 51 GLU CA C 51 55.391 54.684 0.707 1
1 558 . 12 1 1 A 51 51 GLU HA H 51 4.690 4.838 -0.148 1
1 559 . 12 1 1 A 51 51 GLU CB C 51 30.112 32.539 -2.427 1
1 565 . 12 1 1 A 51 51 GLU C C 51 176.574 176.175 0.399 1
1 566 . 12 1 1 A 52 52 ILE N N 52 117.495 121.536 -4.041 1
1 567 . 12 1 1 A 52 52 ILE H H 52 8.223 8.429 -0.206 1
1 568 . 12 1 1 A 52 52 ILE CA C 52 64.478 63.017 1.461 1
1 569 . 12 1 1 A 52 52 ILE HA H 52 3.946 4.287 -0.341 1
1 570 . 12 1 1 A 52 52 ILE CB C 52 38.365 38.528 -0.163 1
1 583 . 12 1 1 A 52 52 ILE C C 52 178.681 177.411 1.270 1
1 584 . 12 1 1 A 53 53 HIS N N 53 116.338 116.869 -0.531 1
1 585 . 12 1 1 A 53 53 HIS H H 53 8.529 7.661 0.868 1
1 586 . 12 1 1 A 53 53 HIS CA C 53 57.974 58.915 -0.941 1
1 587 . 12 1 1 A 53 53 HIS HA H 53 4.332 4.017 0.315 1
1 588 . 12 1 1 A 53 53 HIS CB C 53 31.646 29.779 1.867 1
1 595 . 12 1 1 A 53 53 HIS C C 53 175.678 174.591 1.087 1
1 596 . 12 1 1 A 54 54 TRP N N 54 120.664 116.860 3.804 1
1 597 . 12 1 1 A 54 54 TRP H H 54 7.298 7.935 -0.637 1
1 598 . 12 1 1 A 54 54 TRP CA C 54 55.972 55.674 0.298 1
1 599 . 12 1 1 A 54 54 TRP HA H 54 5.142 5.486 -0.344 1
1 600 . 12 1 1 A 54 54 TRP CB C 54 31.957 30.339 1.618 1
1 615 . 12 1 1 A 54 54 TRP C C 54 174.289 175.425 -1.136 1
1 616 . 12 1 1 A 55 55 TRP N N 55 124.636 124.578 0.058 1
1 617 . 12 1 1 A 55 55 TRP H H 55 9.260 9.113 0.147 1
1 618 . 12 1 1 A 55 55 TRP CA C 55 53.365 56.382 -3.017 1
1 619 . 12 1 1 A 55 55 TRP HA H 55 5.503 5.261 0.242 1
1 620 . 12 1 1 A 55 55 TRP CB C 55 32.591 32.029 0.562 1
1 635 . 12 1 1 A 55 55 TRP C C 55 174.620 175.399 -0.779 1
1 636 . 12 1 1 A 56 56 ARG N N 56 122.963 123.892 -0.929 1
1 637 . 12 1 1 A 56 56 ARG H H 56 8.876 8.736 0.140 1
1 638 . 12 1 1 A 56 56 ARG CA C 56 55.250 55.152 0.098 1
1 639 . 12 1 1 A 56 56 ARG HA H 56 4.716 5.294 -0.578 1
1 640 . 12 1 1 A 56 56 ARG CB C 56 32.705 32.062 0.643 1
1 651 . 12 1 1 A 56 56 ARG C C 56 175.777 175.674 0.103 1
1 652 . 12 1 1 A 57 57 VAL N N 57 119.683 120.070 -0.387 1
1 653 . 12 1 1 A 57 57 VAL H H 57 8.784 9.050 -0.266 1
1 654 . 12 1 1 A 57 57 VAL CA C 57 58.632 58.819 -0.187 1
1 655 . 12 1 1 A 57 57 VAL HA H 57 5.356 5.276 0.080 1
1 656 . 12 1 1 A 57 57 VAL CB C 57 36.354 36.322 0.032 1
1 666 . 12 1 1 A 57 57 VAL C C 57 172.758 173.640 -0.882 1
1 667 . 12 1 1 A 58 58 GLN N N 58 118.904 120.786 -1.882 1
1 668 . 12 1 1 A 58 58 GLN H H 58 8.911 8.628 0.283 1
1 669 . 12 1 1 A 58 58 GLN CA C 58 53.324 54.300 -0.976 1
1 670 . 12 1 1 A 58 58 GLN HA H 58 5.677 5.045 0.632 1
1 671 . 12 1 1 A 58 58 GLN CB C 58 35.149 32.410 2.739 1
1 680 . 12 1 1 A 58 58 GLN C C 58 175.711 174.841 0.870 1
1 681 . 12 1 1 A 59 59 ASP N N 59 125.232 127.821 -2.589 1
1 682 . 12 1 1 A 59 59 ASP H H 59 9.274 8.987 0.287 1
1 683 . 12 1 1 A 59 59 ASP CA C 59 52.577 54.850 -2.273 1
1 684 . 12 1 1 A 59 59 ASP HA H 59 5.257 4.900 0.357 1
1 685 . 12 1 1 A 59 59 ASP CB C 59 43.563 41.569 1.994 1
1 688 . 12 1 1 A 59 59 ASP C C 59 178.615 177.836 0.779 1
1 689 . 12 1 1 A 60 60 ARG N N 60 117.439 122.839 -5.400 1
1 690 . 12 1 1 A 60 60 ARG H H 60 9.177 8.695 0.482 1
1 691 . 12 1 1 A 60 60 ARG CA C 60 57.908 58.598 -0.690 1
1 692 . 12 1 1 A 60 60 ARG HA H 60 3.987 3.930 0.057 1
1 693 . 12 1 1 A 60 60 ARG CB C 60 29.590 29.707 -0.117 1
1 702 . 12 1 1 A 60 60 ARG C C 60 176.395 178.089 -1.694 1
1 703 . 12 1 1 A 61 61 ASN N N 61 117.081 116.218 0.863 1
1 704 . 12 1 1 A 61 61 ASN H H 61 8.294 7.739 0.555 1
1 705 . 12 1 1 A 61 61 ASN CA C 61 53.024 54.065 -1.041 1
1 706 . 12 1 1 A 61 61 ASN HA H 61 4.852 4.528 0.324 1
1 707 . 12 1 1 A 61 61 ASN CB C 61 39.662 38.805 0.857 1
1 713 . 12 1 1 A 61 61 ASN C C 61 175.197 175.335 -0.138 1
1 714 . 12 1 1 A 62 62 GLY N N 62 107.804 105.958 1.846 1
1 715 . 12 1 1 A 62 62 GLY H H 62 8.195 7.360 0.835 1
1 716 . 12 1 1 A 62 62 GLY CA C 62 45.423 44.997 0.426 1
1 717 . 12 1 1 A 62 62 GLY HA2 H 62 3.551 4.056 -0.505 1
1 718 . 12 1 1 A 62 62 GLY HA3 H 62 4.225 4.076 0.149 1
1 719 . 12 1 1 A 62 62 GLY C C 62 174.475 174.129 0.346 1
1 720 . 12 1 1 A 63 63 HIS N N 63 122.780 117.867 4.913 1
1 721 . 12 1 1 A 63 63 HIS H H 63 8.615 7.745 0.870 1
1 722 . 12 1 1 A 63 63 HIS CA C 63 55.653 55.085 0.568 1
1 723 . 12 1 1 A 63 63 HIS HA H 63 4.784 4.890 -0.106 1
1 724 . 12 1 1 A 63 63 HIS CB C 63 29.357 32.505 -3.148 1
1 731 . 12 1 1 A 63 63 HIS C C 63 173.926 174.420 -0.494 1
1 732 . 12 1 1 A 64 64 GLU N N 64 119.741 122.836 -3.095 1
1 733 . 12 1 1 A 64 64 GLU H H 64 8.681 8.614 0.067 1
1 734 . 12 1 1 A 64 64 GLU CA C 64 53.989 55.083 -1.094 1
1 735 . 12 1 1 A 64 64 GLU HA H 64 5.835 5.518 0.317 1
1 736 . 12 1 1 A 64 64 GLU CB C 64 34.417 32.609 1.808 1
1 742 . 12 1 1 A 64 64 GLU C C 64 176.358 176.087 0.271 1
1 743 . 12 1 1 A 65 65 GLY N N 65 105.646 108.587 -2.941 1
1 744 . 12 1 1 A 65 65 GLY H H 65 8.399 8.353 0.046 1
1 745 . 12 1 1 A 65 65 GLY CA C 65 45.368 45.814 -0.446 1
1 746 . 12 1 1 A 65 65 GLY HA2 H 65 3.959 3.980 -0.021 1
1 747 . 12 1 1 A 65 65 GLY HA3 H 65 3.835 4.164 -0.329 1
1 748 . 12 1 1 A 65 65 GLY C C 65 170.819 171.033 -0.214 1
1 749 . 12 1 1 A 66 66 TYR N N 66 119.001 120.072 -1.071 1
1 750 . 12 1 1 A 66 66 TYR H H 66 8.863 8.204 0.659 1
1 751 . 12 1 1 A 66 66 TYR CA C 66 59.140 57.236 1.904 1
1 752 . 12 1 1 A 66 66 TYR HA H 66 5.317 5.460 -0.143 1
1 753 . 12 1 1 A 66 66 TYR CB C 66 40.974 40.381 0.593 1
1 764 . 12 1 1 A 66 66 TYR C C 66 176.158 175.935 0.223 1
1 765 . 12 1 1 A 67 67 VAL N N 67 112.145 117.668 -5.523 1
1 766 . 12 1 1 A 67 67 VAL H H 67 9.180 8.677 0.503 1
1 767 . 12 1 1 A 67 67 VAL CA C 67 57.686 58.172 -0.486 1
1 768 . 12 1 1 A 67 67 VAL HA H 67 4.803 4.942 -0.139 1
1 769 . 12 1 1 A 67 67 VAL CB C 67 33.564 34.115 -0.551 1
1 779 . 12 1 1 A 67 67 VAL C C 67 172.139 173.287 -1.148 1
1 780 . 12 1 1 A 68 68 PRO CA C 68 61.422 62.394 -0.972 1
1 781 . 12 1 1 A 68 68 PRO HA H 68 3.745 4.566 -0.821 1
1 782 . 12 1 1 A 68 68 PRO CB C 68 30.557 31.240 -0.683 1
1 791 . 12 1 1 A 68 68 PRO C C 68 178.674 177.200 1.474 1
1 792 . 12 1 1 A 69 69 SER N N 69 122.331 121.761 0.570 1
1 793 . 12 1 1 A 69 69 SER H H 69 7.791 8.822 -1.031 1
1 794 . 12 1 1 A 69 69 SER CA C 69 60.162 61.083 -0.921 1
1 795 . 12 1 1 A 69 69 SER HA H 69 2.790 3.862 -1.072 1
1 796 . 12 1 1 A 69 69 SER CB C 69 60.021 62.113 -2.092 1
1 799 . 12 1 1 A 69 69 SER C C 69 176.238 176.129 0.109 1
1 800 . 12 1 1 A 70 70 SER N N 70 114.849 116.814 -1.965 1
1 801 . 12 1 1 A 70 70 SER H H 70 7.812 8.041 -0.229 1
1 802 . 12 1 1 A 70 70 SER CA C 70 59.590 61.752 -2.162 1
1 803 . 12 1 1 A 70 70 SER HA H 70 4.095 3.887 0.208 1
1 804 . 12 1 1 A 70 70 SER CB C 70 62.885 63.024 -0.139 1
1 807 . 12 1 1 A 70 70 SER C C 70 175.286 176.747 -1.461 1
1 808 . 12 1 1 A 71 71 TYR N N 71 122.244 119.116 3.128 1
1 809 . 12 1 1 A 71 71 TYR H H 71 7.593 8.000 -0.407 1
1 810 . 12 1 1 A 71 71 TYR CA C 71 58.102 60.320 -2.218 1
1 811 . 12 1 1 A 71 71 TYR HA H 71 4.496 4.463 0.033 1
1 812 . 12 1 1 A 71 71 TYR CB C 71 37.631 38.492 -0.861 1
1 823 . 12 1 1 A 71 71 TYR C C 71 174.002 176.661 -2.659 1
1 824 . 12 1 1 A 72 72 LEU N N 72 119.079 119.354 -0.275 1
1 825 . 12 1 1 A 72 72 LEU H H 72 7.270 7.122 0.148 1
1 826 . 12 1 1 A 72 72 LEU CA C 72 53.625 55.466 -1.841 1
1 827 . 12 1 1 A 72 72 LEU HA H 72 5.388 4.421 0.967 1
1 828 . 12 1 1 A 72 72 LEU CB C 72 46.623 42.879 3.744 1
1 841 . 12 1 1 A 72 72 LEU C C 72 175.893 176.348 -0.455 1
1 842 . 12 1 1 A 73 73 VAL N N 73 116.343 118.033 -1.690 1
1 843 . 12 1 1 A 73 73 VAL H H 73 8.610 8.470 0.140 1
1 844 . 12 1 1 A 73 73 VAL CA C 73 59.707 59.498 0.209 1
1 845 . 12 1 1 A 73 73 VAL HA H 73 4.601 4.717 -0.116 1
1 846 . 12 1 1 A 73 73 VAL CB C 73 35.811 35.492 0.319 1
1 856 . 12 1 1 A 73 73 VAL C C 73 174.186 174.275 -0.089 1
1 857 . 12 1 1 A 74 74 GLU N N 74 124.925 125.718 -0.793 1
1 858 . 12 1 1 A 74 74 GLU H H 74 8.845 8.512 0.333 1
1 859 . 12 1 1 A 74 74 GLU CA C 74 57.745 56.903 0.842 1
1 860 . 12 1 1 A 74 74 GLU HA H 74 4.363 4.531 -0.168 1
1 861 . 12 1 1 A 74 74 GLU CB C 74 30.164 30.368 -0.204 1
1 867 . 12 1 1 A 74 74 GLU C C 74 176.322 176.397 -0.075 1
1 868 . 12 1 1 A 75 75 LYS N N 75 125.959 129.451 -3.492 1
1 869 . 12 1 1 A 75 75 LYS H H 75 8.556 7.848 0.708 1
1 870 . 12 1 1 A 75 75 LYS CA C 75 57.115 57.207 -0.092 1
1 871 . 12 1 1 A 75 75 LYS HA H 75 4.157 4.225 -0.068 1
1 872 . 12 1 1 A 75 75 LYS CB C 75 33.626 32.857 0.769 1
1 884 . 12 1 1 A 75 75 LYS C C 75 175.944 176.076 -0.132 1
1 885 . 12 1 1 A 76 76 SER N N 76 121.519 121.409 0.110 1
1 886 . 12 1 1 A 76 76 SER H H 76 8.576 8.517 0.059 1
1 887 . 12 1 1 A 76 76 SER CA C 76 56.205 56.951 -0.746 1
1 888 . 12 1 1 A 76 76 SER HA H 76 4.809 4.562 0.247 1
1 889 . 12 1 1 A 76 76 SER CB C 76 63.582 63.084 0.498 1
1 891 . 12 1 1 A 76 76 SER C C 76 172.875 174.813 -1.938 1
1 892 . 12 1 1 A 77 77 PRO CA C 77 63.453 64.255 -0.802 1
1 893 . 12 1 1 A 77 77 PRO HA H 77 4.434 4.461 -0.027 1
1 894 . 12 1 1 A 77 77 PRO CB C 77 32.104 32.194 -0.090 1
1 903 . 12 1 1 A 77 77 PRO C C 77 176.734 176.381 0.353 1
1 904 . 12 1 1 A 78 78 ASN N N 78 118.087 115.750 2.337 1
1 905 . 12 1 1 A 78 78 ASN H H 78 8.434 7.621 0.813 1
1 906 . 12 1 1 A 78 78 ASN CA C 78 53.314 52.158 1.156 1
1 907 . 12 1 1 A 78 78 ASN HA H 78 4.653 5.125 -0.472 1
1 908 . 12 1 1 A 78 78 ASN CB C 78 38.823 40.883 -2.060 1
1 914 . 12 1 1 A 78 78 ASN C C 78 174.985 173.812 1.173 1
1 915 . 12 1 1 A 79 79 ASN N N 79 119.198 125.134 -5.936 1
1 916 . 12 1 1 A 79 79 ASN H H 79 8.312 8.867 -0.555 1
1 917 . 12 1 1 A 79 79 ASN CA C 79 53.379 51.990 1.389 1
1 918 . 12 1 1 A 79 79 ASN HA H 79 4.696 5.486 -0.790 1
1 919 . 12 1 1 A 79 79 ASN CB C 79 38.827 42.108 -3.281 1
1 925 . 12 1 1 A 79 79 ASN C C 79 175.132 173.837 1.295 1
1 926 . 12 1 1 A 80 80 LEU N N 80 122.154 125.659 -3.505 1
1 927 . 12 1 1 A 80 80 LEU H H 80 8.195 8.604 -0.409 1
1 928 . 12 1 1 A 80 80 LEU CA C 80 55.523 53.104 2.419 1
1 929 . 12 1 1 A 80 80 LEU HA H 80 4.305 4.726 -0.421 1
1 930 . 12 1 1 A 80 80 LEU CB C 80 42.304 44.584 -2.280 1
1 943 . 12 1 1 A 80 80 LEU C C 80 177.461 176.714 0.747 1
1 944 . 12 1 1 A 81 81 GLU N N 81 121.156 121.962 -0.806 1
1 945 . 12 1 1 A 81 81 GLU H H 81 8.341 8.953 -0.612 1
1 946 . 12 1 1 A 81 81 GLU CA C 81 56.665 57.137 -0.472 1
1 947 . 12 1 1 A 81 81 GLU HA H 81 4.253 3.773 0.480 1
1 948 . 12 1 1 A 81 81 GLU CB C 81 30.219 28.390 1.829 1
1 954 . 12 1 1 A 81 81 GLU C C 81 176.365 175.397 0.968 1
1 955 . 12 1 1 A 82 82 THR N N 82 114.319 114.740 -0.421 1
1 956 . 12 1 1 A 82 82 THR H H 82 7.970 7.812 0.158 1
1 957 . 12 1 1 A 82 82 THR CA C 82 61.517 63.749 -2.232 1
1 958 . 12 1 1 A 82 82 THR HA H 82 4.211 4.179 0.032 1
1 959 . 12 1 1 A 82 82 THR CB C 82 69.881 69.191 0.690 1
1 965 . 12 1 1 A 82 82 THR C C 82 173.812 173.925 -0.113 1
1 966 . 12 1 1 A 83 83 TYR N N 83 122.614 125.999 -3.385 1
1 967 . 12 1 1 A 83 83 TYR H H 83 8.076 9.134 -1.058 1
1 968 . 12 1 1 A 83 83 TYR CA C 83 57.640 56.578 1.062 1
1 969 . 12 1 1 A 83 83 TYR HA H 83 4.444 5.085 -0.641 1
1 970 . 12 1 1 A 83 83 TYR CB C 83 38.964 39.077 -0.113 1
1 981 . 12 1 1 A 83 83 TYR C C 83 175.115 174.344 0.771 1
1 982 . 12 1 1 A 84 84 GLU N N 84 122.790 126.026 -3.236 1
1 983 . 12 1 1 A 84 84 GLU H H 84 7.995 9.132 -1.137 1
1 984 . 12 1 1 A 84 84 GLU CA C 84 56.097 55.531 0.566 1
1 985 . 12 1 1 A 84 84 GLU HA H 84 4.227 5.058 -0.831 1
1 986 . 12 1 1 A 84 84 GLU CB C 84 30.506 31.392 -0.886 1
1 992 . 12 1 1 A 84 84 GLU C C 84 174.707 175.327 -0.620 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.365 45.270 0.095 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.970 4.059 -0.089 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.824 4.059 -0.235 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.351 173.837 0.514 1
1 5 . 13 1 1 A 8 8 GLU N N 8 120.458 121.777 -1.319 1
1 6 . 13 1 1 A 8 8 GLU H H 8 8.288 8.154 0.134 1
1 7 . 13 1 1 A 8 8 GLU CA C 8 56.663 55.565 1.098 1
1 8 . 13 1 1 A 8 8 GLU HA H 8 4.254 4.469 -0.215 1
1 9 . 13 1 1 A 8 8 GLU CB C 8 30.248 30.163 0.085 1
1 15 . 13 1 1 A 8 8 GLU C C 8 176.364 177.127 -0.763 1
1 16 . 13 1 1 A 9 9 ASP N N 9 120.849 124.399 -3.550 1
1 17 . 13 1 1 A 9 9 ASP H H 9 8.379 8.800 -0.421 1
1 18 . 13 1 1 A 9 9 ASP CA C 9 54.402 56.570 -2.168 1
1 19 . 13 1 1 A 9 9 ASP HA H 9 4.543 4.545 -0.002 1
1 20 . 13 1 1 A 9 9 ASP CB C 9 41.035 40.803 0.232 1
1 23 . 13 1 1 A 9 9 ASP C C 9 176.003 176.424 -0.421 1
1 24 . 13 1 1 A 10 10 ASN N N 10 119.270 114.626 4.644 1
1 25 . 13 1 1 A 10 10 ASN H H 10 8.303 7.731 0.572 1
1 26 . 13 1 1 A 10 10 ASN CA C 10 53.233 52.301 0.932 1
1 27 . 13 1 1 A 10 10 ASN HA H 10 4.654 5.186 -0.532 1
1 28 . 13 1 1 A 10 10 ASN CB C 10 38.832 41.452 -2.620 1
1 34 . 13 1 1 A 10 10 ASN C C 10 175.079 172.938 2.141 1
1 35 . 13 1 1 A 11 11 ARG N N 11 120.795 118.997 1.798 1
1 36 . 13 1 1 A 11 11 ARG H H 11 8.132 8.836 -0.704 1
1 37 . 13 1 1 A 11 11 ARG CA C 11 56.092 54.434 1.658 1
1 38 . 13 1 1 A 11 11 ARG HA H 11 4.257 5.105 -0.848 1
1 39 . 13 1 1 A 11 11 ARG CB C 11 30.721 33.753 -3.032 1
1 48 . 13 1 1 A 11 11 ARG C C 11 176.045 174.616 1.429 1
1 49 . 13 1 1 A 12 12 ARG N N 12 123.167 121.136 2.031 1
1 50 . 13 1 1 A 12 12 ARG H H 12 8.222 8.750 -0.528 1
1 51 . 13 1 1 A 12 12 ARG CA C 12 53.918 52.626 1.292 1
1 52 . 13 1 1 A 12 12 ARG HA H 12 4.506 4.830 -0.324 1
1 53 . 13 1 1 A 12 12 ARG CB C 12 29.923 32.383 -2.460 1
1 62 . 13 1 1 A 12 12 ARG C C 12 174.073 173.532 0.541 1
1 63 . 13 1 1 A 13 13 PRO CA C 13 62.815 62.900 -0.085 1
1 64 . 13 1 1 A 13 13 PRO HA H 13 4.255 4.667 -0.412 1
1 65 . 13 1 1 A 13 13 PRO CB C 13 31.903 32.326 -0.423 1
1 74 . 13 1 1 A 13 13 PRO C C 13 176.315 177.468 -1.153 1
1 75 . 13 1 1 A 14 14 LEU N N 14 122.009 123.134 -1.125 1
1 76 . 13 1 1 A 14 14 LEU H H 14 8.090 8.618 -0.528 1
1 77 . 13 1 1 A 14 14 LEU CA C 14 55.286 57.683 -2.397 1
1 78 . 13 1 1 A 14 14 LEU HA H 14 4.065 4.094 -0.029 1
1 79 . 13 1 1 A 14 14 LEU CB C 14 42.258 42.426 -0.168 1
1 92 . 13 1 1 A 14 14 LEU C C 14 176.610 178.247 -1.637 1
1 93 . 13 1 1 A 15 15 TRP N N 15 120.219 115.330 4.889 1
1 94 . 13 1 1 A 15 15 TRP H H 15 7.582 7.945 -0.363 1
1 95 . 13 1 1 A 15 15 TRP CA C 15 56.114 58.450 -2.336 1
1 96 . 13 1 1 A 15 15 TRP HA H 15 4.803 4.662 0.141 1
1 97 . 13 1 1 A 15 15 TRP CB C 15 29.845 31.134 -1.289 1
1 112 . 13 1 1 A 15 15 TRP C C 15 176.093 176.469 -0.376 1
1 113 . 13 1 1 A 16 16 GLU N N 16 124.270 117.463 6.807 1
1 114 . 13 1 1 A 16 16 GLU H H 16 8.901 8.103 0.798 1
1 115 . 13 1 1 A 16 16 GLU CA C 16 54.729 53.350 1.379 1
1 116 . 13 1 1 A 16 16 GLU HA H 16 4.471 4.856 -0.385 1
1 117 . 13 1 1 A 16 16 GLU CB C 16 29.173 32.972 -3.799 1
1 123 . 13 1 1 A 16 16 GLU C C 16 175.525 176.087 -0.562 1
1 124 . 13 1 1 A 17 17 PRO CA C 17 64.535 64.958 -0.423 1
1 125 . 13 1 1 A 17 17 PRO HA H 17 4.306 4.454 -0.148 1
1 126 . 13 1 1 A 17 17 PRO CB C 17 32.105 32.032 0.073 1
1 135 . 13 1 1 A 17 17 PRO C C 17 177.261 177.545 -0.284 1
1 136 . 13 1 1 A 18 18 GLU N N 18 116.089 115.222 0.867 1
1 137 . 13 1 1 A 18 18 GLU H H 18 8.459 8.619 -0.160 1
1 138 . 13 1 1 A 18 18 GLU CA C 18 57.215 55.946 1.269 1
1 139 . 13 1 1 A 18 18 GLU HA H 18 4.203 4.390 -0.187 1
1 140 . 13 1 1 A 18 18 GLU CB C 18 29.321 29.171 0.150 1
1 146 . 13 1 1 A 18 18 GLU C C 18 176.941 175.920 1.021 1
1 147 . 13 1 1 A 19 19 GLU N N 19 120.173 120.479 -0.306 1
1 148 . 13 1 1 A 19 19 GLU H H 19 7.861 7.802 0.059 1
1 149 . 13 1 1 A 19 19 GLU CA C 19 56.170 54.637 1.533 1
1 150 . 13 1 1 A 19 19 GLU HA H 19 4.257 4.893 -0.636 1
1 151 . 13 1 1 A 19 19 GLU CB C 19 30.012 34.829 -4.817 1
1 157 . 13 1 1 A 19 19 GLU C C 19 176.182 174.797 1.385 1
1 158 . 13 1 1 A 20 20 THR N N 20 120.847 117.947 2.900 1
1 159 . 13 1 1 A 20 20 THR H H 20 9.010 8.494 0.516 1
1 160 . 13 1 1 A 20 20 THR CA C 20 63.200 61.917 1.283 1
1 161 . 13 1 1 A 20 20 THR HA H 20 4.188 4.837 -0.649 1
1 162 . 13 1 1 A 20 20 THR CB C 20 69.394 69.519 -0.125 1
1 168 . 13 1 1 A 20 20 THR C C 20 172.501 174.075 -1.574 1
1 169 . 13 1 1 A 21 21 VAL N N 21 128.753 128.346 0.407 1
1 170 . 13 1 1 A 21 21 VAL H H 21 8.497 9.082 -0.585 1
1 171 . 13 1 1 A 21 21 VAL CA C 21 61.422 61.313 0.109 1
1 172 . 13 1 1 A 21 21 VAL HA H 21 4.546 4.391 0.155 1
1 173 . 13 1 1 A 21 21 VAL CB C 21 33.236 32.915 0.321 1
1 183 . 13 1 1 A 21 21 VAL C C 21 175.700 175.641 0.059 1
1 184 . 13 1 1 A 22 22 VAL N N 22 119.061 121.359 -2.298 1
1 185 . 13 1 1 A 22 22 VAL H H 22 9.159 8.979 0.180 1
1 186 . 13 1 1 A 22 22 VAL CA C 22 57.799 59.352 -1.553 1
1 187 . 13 1 1 A 22 22 VAL HA H 22 5.187 5.379 -0.192 1
1 188 . 13 1 1 A 22 22 VAL CB C 22 35.307 35.299 0.008 1
1 198 . 13 1 1 A 22 22 VAL C C 22 173.461 174.518 -1.057 1
1 199 . 13 1 1 A 23 23 ILE N N 23 120.660 121.736 -1.076 1
1 200 . 13 1 1 A 23 23 ILE H H 23 9.354 8.608 0.746 1
1 201 . 13 1 1 A 23 23 ILE CA C 23 58.793 59.832 -1.039 1
1 202 . 13 1 1 A 23 23 ILE HA H 23 5.082 5.241 -0.159 1
1 203 . 13 1 1 A 23 23 ILE CB C 23 41.289 42.157 -0.868 1
1 216 . 13 1 1 A 23 23 ILE C C 23 176.270 174.431 1.839 1
1 217 . 13 1 1 A 24 24 ALA N N 24 125.421 128.281 -2.860 1
1 218 . 13 1 1 A 24 24 ALA H H 24 8.184 8.476 -0.292 1
1 219 . 13 1 1 A 24 24 ALA CA C 24 51.461 51.667 -0.206 1
1 220 . 13 1 1 A 24 24 ALA HA H 24 4.982 4.990 -0.008 1
1 221 . 13 1 1 A 24 24 ALA CB C 24 20.231 19.523 0.708 1
1 225 . 13 1 1 A 24 24 ALA C C 24 178.664 178.001 0.663 1
1 226 . 13 1 1 A 25 25 LEU N N 25 126.185 125.487 0.698 1
1 227 . 13 1 1 A 25 25 LEU H H 25 9.388 8.841 0.547 1
1 228 . 13 1 1 A 25 25 LEU CA C 25 55.799 56.355 -0.556 1
1 229 . 13 1 1 A 25 25 LEU HA H 25 3.875 3.987 -0.112 1
1 230 . 13 1 1 A 25 25 LEU CB C 25 43.786 42.312 1.474 1
1 243 . 13 1 1 A 25 25 LEU C C 25 175.686 176.632 -0.946 1
1 244 . 13 1 1 A 26 26 TYR N N 26 110.488 115.588 -5.100 1
1 245 . 13 1 1 A 26 26 TYR H H 26 6.878 7.886 -1.008 1
1 246 . 13 1 1 A 26 26 TYR CA C 26 53.575 56.479 -2.904 1
1 247 . 13 1 1 A 26 26 TYR HA H 26 4.744 5.254 -0.510 1
1 248 . 13 1 1 A 26 26 TYR CB C 26 42.393 42.099 0.294 1
1 259 . 13 1 1 A 26 26 TYR C C 26 173.800 174.609 -0.809 1
1 260 . 13 1 1 A 27 27 ASP N N 27 117.327 123.206 -5.879 1
1 261 . 13 1 1 A 27 27 ASP H H 27 8.278 8.743 -0.465 1
1 262 . 13 1 1 A 27 27 ASP CA C 27 54.522 53.346 1.176 1
1 263 . 13 1 1 A 27 27 ASP HA H 27 4.639 4.927 -0.288 1
1 264 . 13 1 1 A 27 27 ASP CB C 27 41.944 40.765 1.179 1
1 267 . 13 1 1 A 27 27 ASP C C 27 176.000 175.042 0.958 1
1 268 . 13 1 1 A 28 28 TYR N N 28 121.747 128.640 -6.893 1
1 269 . 13 1 1 A 28 28 TYR H H 28 8.724 8.849 -0.125 1
1 270 . 13 1 1 A 28 28 TYR CA C 28 57.938 58.827 -0.889 1
1 271 . 13 1 1 A 28 28 TYR HA H 28 4.934 4.874 0.060 1
1 272 . 13 1 1 A 28 28 TYR CB C 28 42.161 39.384 2.777 1
1 283 . 13 1 1 A 28 28 TYR C C 28 173.834 174.382 -0.548 1
1 284 . 13 1 1 A 29 29 GLN N N 29 126.180 125.574 0.606 1
1 285 . 13 1 1 A 29 29 GLN H H 29 7.959 8.058 -0.099 1
1 286 . 13 1 1 A 29 29 GLN CA C 29 54.153 54.365 -0.212 1
1 287 . 13 1 1 A 29 29 GLN HA H 29 4.507 5.168 -0.661 1
1 288 . 13 1 1 A 29 29 GLN CB C 29 29.854 31.179 -1.325 1
1 297 . 13 1 1 A 29 29 GLN C C 29 173.966 175.122 -1.156 1
1 298 . 13 1 1 A 30 30 THR N N 30 115.009 115.839 -0.830 1
1 299 . 13 1 1 A 30 30 THR H H 30 7.982 8.592 -0.610 1
1 300 . 13 1 1 A 30 30 THR CA C 30 59.769 61.614 -1.845 1
1 301 . 13 1 1 A 30 30 THR HA H 30 4.319 4.652 -0.333 1
1 302 . 13 1 1 A 30 30 THR CB C 30 69.002 71.361 -2.359 1
1 308 . 13 1 1 A 30 30 THR C C 30 172.388 173.253 -0.865 1
1 309 . 13 1 1 A 31 31 ASN N N 31 121.715 124.267 -2.552 1
1 310 . 13 1 1 A 31 31 ASN H H 31 8.702 8.711 -0.009 1
1 311 . 13 1 1 A 31 31 ASN CA C 31 52.449 52.385 0.064 1
1 312 . 13 1 1 A 31 31 ASN HA H 31 4.787 4.904 -0.117 1
1 313 . 13 1 1 A 31 31 ASN CB C 31 39.822 37.865 1.957 1
1 319 . 13 1 1 A 31 31 ASN C C 31 174.579 174.821 -0.242 1
1 320 . 13 1 1 A 32 32 ASP N N 32 124.854 117.492 7.362 1
1 321 . 13 1 1 A 32 32 ASP H H 32 8.333 7.539 0.794 1
1 322 . 13 1 1 A 32 32 ASP CA C 32 51.996 51.977 0.019 1
1 323 . 13 1 1 A 32 32 ASP HA H 32 4.827 4.932 -0.105 1
1 324 . 13 1 1 A 32 32 ASP CB C 32 43.075 41.370 1.705 1
1 327 . 13 1 1 A 32 32 ASP C C 32 176.135 176.081 0.054 1
1 328 . 13 1 1 A 33 33 PRO CA C 33 64.451 64.323 0.128 1
1 329 . 13 1 1 A 33 33 PRO HA H 33 4.490 4.443 0.047 1
1 330 . 13 1 1 A 33 33 PRO CB C 33 32.425 31.707 0.718 1
1 339 . 13 1 1 A 33 33 PRO C C 33 177.612 177.470 0.142 1
1 340 . 13 1 1 A 34 34 GLN N N 34 116.032 116.725 -0.693 1
1 341 . 13 1 1 A 34 34 GLN H H 34 8.906 8.414 0.492 1
1 342 . 13 1 1 A 34 34 GLN CA C 34 56.080 57.545 -1.465 1
1 343 . 13 1 1 A 34 34 GLN HA H 34 4.559 4.210 0.349 1
1 344 . 13 1 1 A 34 34 GLN CB C 34 29.488 30.105 -0.617 1
1 353 . 13 1 1 A 34 34 GLN C C 34 176.811 175.712 1.099 1
1 354 . 13 1 1 A 35 35 GLU N N 35 120.585 117.568 3.017 1
1 355 . 13 1 1 A 35 35 GLU H H 35 7.905 7.790 0.115 1
1 356 . 13 1 1 A 35 35 GLU CA C 35 55.147 54.679 0.468 1
1 357 . 13 1 1 A 35 35 GLU HA H 35 5.370 5.011 0.359 1
1 358 . 13 1 1 A 35 35 GLU CB C 35 33.394 31.960 1.434 1
1 364 . 13 1 1 A 35 35 GLU C C 35 174.508 174.580 -0.072 1
1 365 . 13 1 1 A 36 36 LEU N N 36 122.127 124.143 -2.016 1
1 366 . 13 1 1 A 36 36 LEU H H 36 7.553 8.563 -1.010 1
1 367 . 13 1 1 A 36 36 LEU CA C 36 53.375 53.344 0.031 1
1 368 . 13 1 1 A 36 36 LEU HA H 36 4.415 5.210 -0.795 1
1 369 . 13 1 1 A 36 36 LEU CB C 36 45.685 46.291 -0.606 1
1 382 . 13 1 1 A 36 36 LEU C C 36 173.533 174.939 -1.406 1
1 383 . 13 1 1 A 37 37 ALA N N 37 124.419 127.982 -3.563 1
1 384 . 13 1 1 A 37 37 ALA H H 37 7.813 8.653 -0.840 1
1 385 . 13 1 1 A 37 37 ALA CA C 37 51.854 51.499 0.355 1
1 386 . 13 1 1 A 37 37 ALA HA H 37 4.581 4.790 -0.209 1
1 387 . 13 1 1 A 37 37 ALA CB C 37 19.371 19.073 0.298 1
1 391 . 13 1 1 A 37 37 ALA C C 37 177.822 176.981 0.841 1
1 392 . 13 1 1 A 38 38 LEU N N 38 116.787 124.148 -7.361 1
1 393 . 13 1 1 A 38 38 LEU H H 38 8.656 8.836 -0.180 1
1 394 . 13 1 1 A 38 38 LEU CA C 38 52.952 55.172 -2.220 1
1 395 . 13 1 1 A 38 38 LEU HA H 38 5.026 4.185 0.841 1
1 396 . 13 1 1 A 38 38 LEU CB C 38 45.223 42.469 2.754 1
1 409 . 13 1 1 A 38 38 LEU C C 38 177.842 176.539 1.303 1
1 410 . 13 1 1 A 39 39 ARG N N 39 123.462 123.244 0.218 1
1 411 . 13 1 1 A 39 39 ARG H H 39 8.333 9.139 -0.806 1
1 412 . 13 1 1 A 39 39 ARG CA C 39 53.731 54.328 -0.597 1
1 413 . 13 1 1 A 39 39 ARG HA H 39 4.977 5.156 -0.179 1
1 414 . 13 1 1 A 39 39 ARG CB C 39 32.431 33.182 -0.751 1
1 423 . 13 1 1 A 39 39 ARG C C 39 174.595 175.966 -1.371 1
1 424 . 13 1 1 A 40 40 ARG N N 40 123.974 126.741 -2.767 1
1 425 . 13 1 1 A 40 40 ARG H H 40 8.899 8.707 0.192 1
1 426 . 13 1 1 A 40 40 ARG CA C 40 58.302 57.069 1.233 1
1 427 . 13 1 1 A 40 40 ARG HA H 40 3.350 4.058 -0.708 1
1 428 . 13 1 1 A 40 40 ARG CB C 40 30.480 30.202 0.278 1
1 437 . 13 1 1 A 40 40 ARG C C 40 176.432 176.911 -0.479 1
1 438 . 13 1 1 A 41 41 ASN N N 41 117.655 119.518 -1.863 1
1 439 . 13 1 1 A 41 41 ASN H H 41 9.246 8.807 0.439 1
1 440 . 13 1 1 A 41 41 ASN CA C 41 55.859 54.291 1.568 1
1 441 . 13 1 1 A 41 41 ASN HA H 41 4.227 4.239 -0.012 1
1 442 . 13 1 1 A 41 41 ASN CB C 41 37.555 37.246 0.309 1
1 448 . 13 1 1 A 41 41 ASN C C 41 174.318 173.832 0.486 1
1 449 . 13 1 1 A 42 42 GLU N N 42 122.758 117.802 4.956 1
1 450 . 13 1 1 A 42 42 GLU H H 42 8.419 7.984 0.435 1
1 451 . 13 1 1 A 42 42 GLU CA C 42 56.625 54.837 1.788 1
1 452 . 13 1 1 A 42 42 GLU HA H 42 4.445 4.882 -0.437 1
1 453 . 13 1 1 A 42 42 GLU CB C 42 29.887 32.791 -2.904 1
1 459 . 13 1 1 A 42 42 GLU C C 42 173.885 174.791 -0.906 1
1 460 . 13 1 1 A 43 43 GLU N N 43 119.431 124.700 -5.269 1
1 461 . 13 1 1 A 43 43 GLU H H 43 7.901 8.556 -0.655 1
1 462 . 13 1 1 A 43 43 GLU CA C 43 54.997 56.155 -1.158 1
1 463 . 13 1 1 A 43 43 GLU HA H 43 5.106 4.740 0.366 1
1 464 . 13 1 1 A 43 43 GLU CB C 43 32.392 31.005 1.387 1
1 470 . 13 1 1 A 43 43 GLU C C 43 175.285 175.492 -0.207 1
1 471 . 13 1 1 A 44 44 TYR N N 44 118.011 119.495 -1.484 1
1 472 . 13 1 1 A 44 44 TYR H H 44 9.196 8.580 0.616 1
1 473 . 13 1 1 A 44 44 TYR CA C 44 56.847 56.358 0.489 1
1 474 . 13 1 1 A 44 44 TYR HA H 44 4.708 4.809 -0.101 1
1 475 . 13 1 1 A 44 44 TYR CB C 44 42.218 42.482 -0.264 1
1 486 . 13 1 1 A 44 44 TYR C C 44 173.315 174.740 -1.425 1
1 487 . 13 1 1 A 45 45 CYS N N 45 120.674 122.686 -2.012 1
1 488 . 13 1 1 A 45 45 CYS H H 45 8.803 8.505 0.298 1
1 489 . 13 1 1 A 45 45 CYS CA C 45 57.318 58.229 -0.911 1
1 490 . 13 1 1 A 45 45 CYS HA H 45 4.425 4.667 -0.242 1
1 491 . 13 1 1 A 45 45 CYS CB C 45 27.610 28.402 -0.792 1
1 494 . 13 1 1 A 45 45 CYS C C 45 174.817 174.123 0.694 1
1 495 . 13 1 1 A 46 46 LEU N N 46 129.242 127.237 2.005 1
1 496 . 13 1 1 A 46 46 LEU H H 46 8.803 8.082 0.721 1
1 497 . 13 1 1 A 46 46 LEU CA C 46 55.404 56.096 -0.692 1
1 498 . 13 1 1 A 46 46 LEU HA H 46 4.224 4.284 -0.060 1
1 499 . 13 1 1 A 46 46 LEU CB C 46 42.929 42.289 0.640 1
1 512 . 13 1 1 A 46 46 LEU C C 46 174.895 176.195 -1.300 1
1 513 . 13 1 1 A 47 47 LEU N N 47 127.172 127.998 -0.826 1
1 514 . 13 1 1 A 47 47 LEU H H 47 8.780 9.317 -0.537 1
1 515 . 13 1 1 A 47 47 LEU CA C 47 55.322 56.728 -1.406 1
1 516 . 13 1 1 A 47 47 LEU HA H 47 4.478 4.305 0.173 1
1 517 . 13 1 1 A 47 47 LEU CB C 47 42.904 42.243 0.661 1
1 530 . 13 1 1 A 47 47 LEU C C 47 177.543 176.581 0.962 1
1 531 . 13 1 1 A 48 48 ASP N N 48 115.262 115.853 -0.591 1
1 532 . 13 1 1 A 48 48 ASP H H 48 7.516 7.734 -0.218 1
1 533 . 13 1 1 A 48 48 ASP CA C 48 54.649 53.872 0.777 1
1 534 . 13 1 1 A 48 48 ASP HA H 48 4.754 4.897 -0.143 1
1 535 . 13 1 1 A 48 48 ASP CB C 48 43.524 44.133 -0.609 1
1 538 . 13 1 1 A 48 48 ASP C C 48 175.044 174.704 0.340 1
1 539 . 13 1 1 A 49 49 SER N N 49 123.571 123.128 0.443 1
1 540 . 13 1 1 A 49 49 SER H H 49 8.911 8.744 0.167 1
1 541 . 13 1 1 A 49 49 SER CA C 49 56.641 57.327 -0.686 1
1 542 . 13 1 1 A 49 49 SER HA H 49 4.019 4.656 -0.637 1
1 543 . 13 1 1 A 49 49 SER CB C 49 62.018 63.086 -1.068 1
1 546 . 13 1 1 A 49 49 SER C C 49 173.953 174.417 -0.464 1
1 547 . 13 1 1 A 50 50 SER N N 50 118.555 117.518 1.037 1
1 548 . 13 1 1 A 50 50 SER H H 50 8.528 8.289 0.239 1
1 549 . 13 1 1 A 50 50 SER CA C 50 61.824 61.920 -0.096 1
1 550 . 13 1 1 A 50 50 SER HA H 50 4.050 4.013 0.037 1
1 551 . 13 1 1 A 50 50 SER CB C 50 63.334 63.178 0.156 1
1 554 . 13 1 1 A 50 50 SER C C 50 175.507 175.206 0.301 1
1 555 . 13 1 1 A 51 51 GLU N N 51 123.653 118.906 4.747 1
1 556 . 13 1 1 A 51 51 GLU H H 51 8.756 8.201 0.555 1
1 557 . 13 1 1 A 51 51 GLU CA C 51 55.391 54.919 0.472 1
1 558 . 13 1 1 A 51 51 GLU HA H 51 4.690 4.698 -0.008 1
1 559 . 13 1 1 A 51 51 GLU CB C 51 30.112 31.733 -1.621 1
1 565 . 13 1 1 A 51 51 GLU C C 51 176.574 176.351 0.223 1
1 566 . 13 1 1 A 52 52 ILE N N 52 117.495 121.460 -3.965 1
1 567 . 13 1 1 A 52 52 ILE H H 52 8.223 8.453 -0.230 1
1 568 . 13 1 1 A 52 52 ILE CA C 52 64.478 62.947 1.531 1
1 569 . 13 1 1 A 52 52 ILE HA H 52 3.946 4.258 -0.312 1
1 570 . 13 1 1 A 52 52 ILE CB C 52 38.365 38.571 -0.206 1
1 583 . 13 1 1 A 52 52 ILE C C 52 178.681 177.400 1.281 1
1 584 . 13 1 1 A 53 53 HIS N N 53 116.338 116.691 -0.353 1
1 585 . 13 1 1 A 53 53 HIS H H 53 8.529 7.634 0.895 1
1 586 . 13 1 1 A 53 53 HIS CA C 53 57.974 59.057 -1.083 1
1 587 . 13 1 1 A 53 53 HIS HA H 53 4.332 3.980 0.352 1
1 588 . 13 1 1 A 53 53 HIS CB C 53 31.646 30.098 1.548 1
1 595 . 13 1 1 A 53 53 HIS C C 53 175.678 174.651 1.027 1
1 596 . 13 1 1 A 54 54 TRP N N 54 120.664 116.695 3.969 1
1 597 . 13 1 1 A 54 54 TRP H H 54 7.298 7.812 -0.514 1
1 598 . 13 1 1 A 54 54 TRP CA C 54 55.972 55.667 0.305 1
1 599 . 13 1 1 A 54 54 TRP HA H 54 5.142 5.379 -0.237 1
1 600 . 13 1 1 A 54 54 TRP CB C 54 31.957 30.637 1.320 1
1 615 . 13 1 1 A 54 54 TRP C C 54 174.289 175.268 -0.979 1
1 616 . 13 1 1 A 55 55 TRP N N 55 124.636 124.475 0.161 1
1 617 . 13 1 1 A 55 55 TRP H H 55 9.260 9.263 -0.003 1
1 618 . 13 1 1 A 55 55 TRP CA C 55 53.365 55.723 -2.358 1
1 619 . 13 1 1 A 55 55 TRP HA H 55 5.503 5.155 0.348 1
1 620 . 13 1 1 A 55 55 TRP CB C 55 32.591 32.162 0.429 1
1 635 . 13 1 1 A 55 55 TRP C C 55 174.620 175.689 -1.069 1
1 636 . 13 1 1 A 56 56 ARG N N 56 122.963 125.131 -2.168 1
1 637 . 13 1 1 A 56 56 ARG H H 56 8.876 8.903 -0.027 1
1 638 . 13 1 1 A 56 56 ARG CA C 56 55.250 56.231 -0.981 1
1 639 . 13 1 1 A 56 56 ARG HA H 56 4.716 4.702 0.014 1
1 640 . 13 1 1 A 56 56 ARG CB C 56 32.705 30.107 2.598 1
1 651 . 13 1 1 A 56 56 ARG C C 56 175.777 176.260 -0.483 1
1 652 . 13 1 1 A 57 57 VAL N N 57 119.683 120.001 -0.318 1
1 653 . 13 1 1 A 57 57 VAL H H 57 8.784 8.501 0.283 1
1 654 . 13 1 1 A 57 57 VAL CA C 57 58.632 58.764 -0.132 1
1 655 . 13 1 1 A 57 57 VAL HA H 57 5.356 5.150 0.206 1
1 656 . 13 1 1 A 57 57 VAL CB C 57 36.354 36.245 0.109 1
1 666 . 13 1 1 A 57 57 VAL C C 57 172.758 173.634 -0.876 1
1 667 . 13 1 1 A 58 58 GLN N N 58 118.904 120.453 -1.549 1
1 668 . 13 1 1 A 58 58 GLN H H 58 8.911 8.985 -0.074 1
1 669 . 13 1 1 A 58 58 GLN CA C 58 53.324 54.279 -0.955 1
1 670 . 13 1 1 A 58 58 GLN HA H 58 5.677 5.249 0.428 1
1 671 . 13 1 1 A 58 58 GLN CB C 58 35.149 32.453 2.696 1
1 680 . 13 1 1 A 58 58 GLN C C 58 175.711 174.063 1.648 1
1 681 . 13 1 1 A 59 59 ASP N N 59 125.232 125.871 -0.639 1
1 682 . 13 1 1 A 59 59 ASP H H 59 9.274 9.242 0.032 1
1 683 . 13 1 1 A 59 59 ASP CA C 59 52.577 54.124 -1.547 1
1 684 . 13 1 1 A 59 59 ASP HA H 59 5.257 4.988 0.269 1
1 685 . 13 1 1 A 59 59 ASP CB C 59 43.563 42.114 1.449 1
1 688 . 13 1 1 A 59 59 ASP C C 59 178.615 177.243 1.372 1
1 689 . 13 1 1 A 60 60 ARG N N 60 117.439 125.932 -8.493 1
1 690 . 13 1 1 A 60 60 ARG H H 60 9.177 8.949 0.228 1
1 691 . 13 1 1 A 60 60 ARG CA C 60 57.908 58.845 -0.937 1
1 692 . 13 1 1 A 60 60 ARG HA H 60 3.987 4.176 -0.189 1
1 693 . 13 1 1 A 60 60 ARG CB C 60 29.590 29.812 -0.222 1
1 702 . 13 1 1 A 60 60 ARG C C 60 176.395 177.838 -1.443 1
1 703 . 13 1 1 A 61 61 ASN N N 61 117.081 113.680 3.401 1
1 704 . 13 1 1 A 61 61 ASN H H 61 8.294 7.616 0.678 1
1 705 . 13 1 1 A 61 61 ASN CA C 61 53.024 54.079 -1.055 1
1 706 . 13 1 1 A 61 61 ASN HA H 61 4.852 4.544 0.308 1
1 707 . 13 1 1 A 61 61 ASN CB C 61 39.662 38.802 0.860 1
1 713 . 13 1 1 A 61 61 ASN C C 61 175.197 175.361 -0.164 1
1 714 . 13 1 1 A 62 62 GLY N N 62 107.804 105.895 1.909 1
1 715 . 13 1 1 A 62 62 GLY H H 62 8.195 7.509 0.686 1
1 716 . 13 1 1 A 62 62 GLY CA C 62 45.423 44.998 0.425 1
1 717 . 13 1 1 A 62 62 GLY HA2 H 62 3.551 4.075 -0.524 1
1 718 . 13 1 1 A 62 62 GLY HA3 H 62 4.225 4.076 0.149 1
1 719 . 13 1 1 A 62 62 GLY C C 62 174.475 174.404 0.071 1
1 720 . 13 1 1 A 63 63 HIS N N 63 122.780 118.107 4.673 1
1 721 . 13 1 1 A 63 63 HIS H H 63 8.615 7.825 0.790 1
1 722 . 13 1 1 A 63 63 HIS CA C 63 55.653 55.380 0.273 1
1 723 . 13 1 1 A 63 63 HIS HA H 63 4.784 4.765 0.019 1
1 724 . 13 1 1 A 63 63 HIS CB C 63 29.357 31.580 -2.223 1
1 731 . 13 1 1 A 63 63 HIS C C 63 173.926 174.465 -0.539 1
1 732 . 13 1 1 A 64 64 GLU N N 64 119.741 122.792 -3.051 1
1 733 . 13 1 1 A 64 64 GLU H H 64 8.681 8.759 -0.078 1
1 734 . 13 1 1 A 64 64 GLU CA C 64 53.989 55.065 -1.076 1
1 735 . 13 1 1 A 64 64 GLU HA H 64 5.835 5.277 0.558 1
1 736 . 13 1 1 A 64 64 GLU CB C 64 34.417 32.436 1.981 1
1 742 . 13 1 1 A 64 64 GLU C C 64 176.358 175.628 0.730 1
1 743 . 13 1 1 A 65 65 GLY N N 65 105.646 108.448 -2.802 1
1 744 . 13 1 1 A 65 65 GLY H H 65 8.399 8.324 0.075 1
1 745 . 13 1 1 A 65 65 GLY CA C 65 45.368 44.561 0.807 1
1 746 . 13 1 1 A 65 65 GLY HA2 H 65 3.959 3.912 0.047 1
1 747 . 13 1 1 A 65 65 GLY HA3 H 65 3.835 4.060 -0.225 1
1 748 . 13 1 1 A 65 65 GLY C C 65 170.819 171.564 -0.745 1
1 749 . 13 1 1 A 66 66 TYR N N 66 119.001 119.518 -0.517 1
1 750 . 13 1 1 A 66 66 TYR H H 66 8.863 8.386 0.477 1
1 751 . 13 1 1 A 66 66 TYR CA C 66 59.140 58.100 1.040 1
1 752 . 13 1 1 A 66 66 TYR HA H 66 5.317 5.024 0.293 1
1 753 . 13 1 1 A 66 66 TYR CB C 66 40.974 39.996 0.978 1
1 764 . 13 1 1 A 66 66 TYR C C 66 176.158 175.806 0.352 1
1 765 . 13 1 1 A 67 67 VAL N N 67 112.145 117.559 -5.414 1
1 766 . 13 1 1 A 67 67 VAL H H 67 9.180 8.475 0.705 1
1 767 . 13 1 1 A 67 67 VAL CA C 67 57.686 58.243 -0.557 1
1 768 . 13 1 1 A 67 67 VAL HA H 67 4.803 4.833 -0.030 1
1 769 . 13 1 1 A 67 67 VAL CB C 67 33.564 34.759 -1.195 1
1 779 . 13 1 1 A 67 67 VAL C C 67 172.139 173.115 -0.976 1
1 780 . 13 1 1 A 68 68 PRO CA C 68 61.422 62.562 -1.140 1
1 781 . 13 1 1 A 68 68 PRO HA H 68 3.745 4.757 -1.012 1
1 782 . 13 1 1 A 68 68 PRO CB C 68 30.557 31.392 -0.835 1
1 791 . 13 1 1 A 68 68 PRO C C 68 178.674 177.303 1.371 1
1 792 . 13 1 1 A 69 69 SER N N 69 122.331 121.809 0.522 1
1 793 . 13 1 1 A 69 69 SER H H 69 7.791 8.398 -0.607 1
1 794 . 13 1 1 A 69 69 SER CA C 69 60.162 61.176 -1.014 1
1 795 . 13 1 1 A 69 69 SER HA H 69 2.790 3.942 -1.152 1
1 796 . 13 1 1 A 69 69 SER CB C 69 60.021 62.045 -2.024 1
1 799 . 13 1 1 A 69 69 SER C C 69 176.238 176.225 0.013 1
1 800 . 13 1 1 A 70 70 SER N N 70 114.849 116.121 -1.272 1
1 801 . 13 1 1 A 70 70 SER H H 70 7.812 8.046 -0.234 1
1 802 . 13 1 1 A 70 70 SER CA C 70 59.590 61.579 -1.989 1
1 803 . 13 1 1 A 70 70 SER HA H 70 4.095 4.199 -0.104 1
1 804 . 13 1 1 A 70 70 SER CB C 70 62.885 62.538 0.347 1
1 807 . 13 1 1 A 70 70 SER C C 70 175.286 176.524 -1.238 1
1 808 . 13 1 1 A 71 71 TYR N N 71 122.244 119.480 2.764 1
1 809 . 13 1 1 A 71 71 TYR H H 71 7.593 8.165 -0.572 1
1 810 . 13 1 1 A 71 71 TYR CA C 71 58.102 60.524 -2.422 1
1 811 . 13 1 1 A 71 71 TYR HA H 71 4.496 4.415 0.081 1
1 812 . 13 1 1 A 71 71 TYR CB C 71 37.631 38.866 -1.235 1
1 823 . 13 1 1 A 71 71 TYR C C 71 174.002 176.532 -2.530 1
1 824 . 13 1 1 A 72 72 LEU N N 72 119.079 119.322 -0.243 1
1 825 . 13 1 1 A 72 72 LEU H H 72 7.270 7.687 -0.417 1
1 826 . 13 1 1 A 72 72 LEU CA C 72 53.625 55.503 -1.878 1
1 827 . 13 1 1 A 72 72 LEU HA H 72 5.388 4.550 0.838 1
1 828 . 13 1 1 A 72 72 LEU CB C 72 46.623 42.893 3.730 1
1 841 . 13 1 1 A 72 72 LEU C C 72 175.893 176.276 -0.383 1
1 842 . 13 1 1 A 73 73 VAL N N 73 116.343 118.370 -2.027 1
1 843 . 13 1 1 A 73 73 VAL H H 73 8.610 8.640 -0.030 1
1 844 . 13 1 1 A 73 73 VAL CA C 73 59.707 59.361 0.346 1
1 845 . 13 1 1 A 73 73 VAL HA H 73 4.601 4.801 -0.200 1
1 846 . 13 1 1 A 73 73 VAL CB C 73 35.811 35.551 0.260 1
1 856 . 13 1 1 A 73 73 VAL C C 73 174.186 174.380 -0.194 1
1 857 . 13 1 1 A 74 74 GLU N N 74 124.925 125.652 -0.727 1
1 858 . 13 1 1 A 74 74 GLU H H 74 8.845 8.548 0.297 1
1 859 . 13 1 1 A 74 74 GLU CA C 74 57.745 57.074 0.671 1
1 860 . 13 1 1 A 74 74 GLU HA H 74 4.363 4.457 -0.094 1
1 861 . 13 1 1 A 74 74 GLU CB C 74 30.164 30.113 0.051 1
1 867 . 13 1 1 A 74 74 GLU C C 74 176.322 176.364 -0.042 1
1 868 . 13 1 1 A 75 75 LYS N N 75 125.959 129.537 -3.578 1
1 869 . 13 1 1 A 75 75 LYS H H 75 8.556 8.033 0.523 1
1 870 . 13 1 1 A 75 75 LYS CA C 75 57.115 57.119 -0.004 1
1 871 . 13 1 1 A 75 75 LYS HA H 75 4.157 4.288 -0.131 1
1 872 . 13 1 1 A 75 75 LYS CB C 75 33.626 32.839 0.787 1
1 884 . 13 1 1 A 75 75 LYS C C 75 175.944 176.572 -0.628 1
1 885 . 13 1 1 A 76 76 SER N N 76 121.519 123.332 -1.813 1
1 886 . 13 1 1 A 76 76 SER H H 76 8.576 8.669 -0.093 1
1 887 . 13 1 1 A 76 76 SER CA C 76 56.205 57.634 -1.429 1
1 888 . 13 1 1 A 76 76 SER HA H 76 4.809 4.552 0.257 1
1 889 . 13 1 1 A 76 76 SER CB C 76 63.582 62.606 0.976 1
1 891 . 13 1 1 A 76 76 SER C C 76 172.875 174.351 -1.476 1
1 892 . 13 1 1 A 77 77 PRO CA C 77 63.453 63.837 -0.384 1
1 893 . 13 1 1 A 77 77 PRO HA H 77 4.434 4.636 -0.202 1
1 894 . 13 1 1 A 77 77 PRO CB C 77 32.104 31.794 0.310 1
1 903 . 13 1 1 A 77 77 PRO C C 77 176.734 176.519 0.215 1
1 904 . 13 1 1 A 78 78 ASN N N 78 118.087 118.724 -0.637 1
1 905 . 13 1 1 A 78 78 ASN H H 78 8.434 7.768 0.666 1
1 906 . 13 1 1 A 78 78 ASN CA C 78 53.314 53.316 -0.002 1
1 907 . 13 1 1 A 78 78 ASN HA H 78 4.653 4.566 0.087 1
1 908 . 13 1 1 A 78 78 ASN CB C 78 38.823 39.300 -0.477 1
1 914 . 13 1 1 A 78 78 ASN C C 78 174.985 174.352 0.633 1
1 915 . 13 1 1 A 79 79 ASN N N 79 119.198 122.631 -3.433 1
1 916 . 13 1 1 A 79 79 ASN H H 79 8.312 8.680 -0.368 1
1 917 . 13 1 1 A 79 79 ASN CA C 79 53.379 51.825 1.554 1
1 918 . 13 1 1 A 79 79 ASN HA H 79 4.696 5.577 -0.881 1
1 919 . 13 1 1 A 79 79 ASN CB C 79 38.827 42.308 -3.481 1
1 925 . 13 1 1 A 79 79 ASN C C 79 175.132 174.303 0.829 1
1 926 . 13 1 1 A 80 80 LEU N N 80 122.154 121.866 0.288 1
1 927 . 13 1 1 A 80 80 LEU H H 80 8.195 8.917 -0.722 1
1 928 . 13 1 1 A 80 80 LEU CA C 80 55.523 52.766 2.757 1
1 929 . 13 1 1 A 80 80 LEU HA H 80 4.305 5.160 -0.855 1
1 930 . 13 1 1 A 80 80 LEU CB C 80 42.304 46.020 -3.716 1
1 943 . 13 1 1 A 80 80 LEU C C 80 177.461 175.486 1.975 1
1 944 . 13 1 1 A 81 81 GLU N N 81 121.156 118.534 2.622 1
1 945 . 13 1 1 A 81 81 GLU H H 81 8.341 8.309 0.032 1
1 946 . 13 1 1 A 81 81 GLU CA C 81 56.665 56.012 0.653 1
1 947 . 13 1 1 A 81 81 GLU HA H 81 4.253 4.441 -0.188 1
1 948 . 13 1 1 A 81 81 GLU CB C 81 30.219 29.301 0.918 1
1 954 . 13 1 1 A 81 81 GLU C C 81 176.365 175.329 1.036 1
1 955 . 13 1 1 A 82 82 THR N N 82 114.319 119.733 -5.414 1
1 956 . 13 1 1 A 82 82 THR H H 82 7.970 8.341 -0.371 1
1 957 . 13 1 1 A 82 82 THR CA C 82 61.517 60.254 1.263 1
1 958 . 13 1 1 A 82 82 THR HA H 82 4.211 4.636 -0.425 1
1 959 . 13 1 1 A 82 82 THR CB C 82 69.881 70.728 -0.847 1
1 965 . 13 1 1 A 82 82 THR C C 82 173.812 173.763 0.049 1
1 966 . 13 1 1 A 83 83 TYR N N 83 122.614 126.110 -3.496 1
1 967 . 13 1 1 A 83 83 TYR H H 83 8.076 8.682 -0.606 1
1 968 . 13 1 1 A 83 83 TYR CA C 83 57.640 58.768 -1.128 1
1 969 . 13 1 1 A 83 83 TYR HA H 83 4.444 4.698 -0.254 1
1 970 . 13 1 1 A 83 83 TYR CB C 83 38.964 39.233 -0.269 1
1 981 . 13 1 1 A 83 83 TYR C C 83 175.115 176.746 -1.631 1
1 982 . 13 1 1 A 84 84 GLU N N 84 122.790 118.816 3.974 1
1 983 . 13 1 1 A 84 84 GLU H H 84 7.995 8.762 -0.767 1
1 984 . 13 1 1 A 84 84 GLU CA C 84 56.097 55.864 0.233 1
1 985 . 13 1 1 A 84 84 GLU HA H 84 4.227 4.652 -0.425 1
1 986 . 13 1 1 A 84 84 GLU CB C 84 30.506 29.146 1.360 1
1 992 . 13 1 1 A 84 84 GLU C C 84 174.707 175.943 -1.236 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.365 46.563 -1.198 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.970 3.944 0.026 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.824 3.945 -0.121 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.351 174.424 -0.073 1
1 5 . 14 1 1 A 8 8 GLU N N 8 120.458 119.439 1.019 1
1 6 . 14 1 1 A 8 8 GLU H H 8 8.288 8.153 0.135 1
1 7 . 14 1 1 A 8 8 GLU CA C 8 56.663 55.315 1.348 1
1 8 . 14 1 1 A 8 8 GLU HA H 8 4.254 4.569 -0.315 1
1 9 . 14 1 1 A 8 8 GLU CB C 8 30.248 29.076 1.172 1
1 15 . 14 1 1 A 8 8 GLU C C 8 176.364 175.277 1.087 1
1 16 . 14 1 1 A 9 9 ASP N N 9 120.849 125.404 -4.555 1
1 17 . 14 1 1 A 9 9 ASP H H 9 8.379 8.661 -0.282 1
1 18 . 14 1 1 A 9 9 ASP CA C 9 54.402 52.832 1.570 1
1 19 . 14 1 1 A 9 9 ASP HA H 9 4.543 5.118 -0.575 1
1 20 . 14 1 1 A 9 9 ASP CB C 9 41.035 41.549 -0.514 1
1 23 . 14 1 1 A 9 9 ASP C C 9 176.003 175.341 0.662 1
1 24 . 14 1 1 A 10 10 ASN N N 10 119.270 122.278 -3.008 1
1 25 . 14 1 1 A 10 10 ASN H H 10 8.303 8.679 -0.376 1
1 26 . 14 1 1 A 10 10 ASN CA C 10 53.233 52.881 0.352 1
1 27 . 14 1 1 A 10 10 ASN HA H 10 4.654 4.988 -0.334 1
1 28 . 14 1 1 A 10 10 ASN CB C 10 38.832 39.030 -0.198 1
1 34 . 14 1 1 A 10 10 ASN C C 10 175.079 174.592 0.487 1
1 35 . 14 1 1 A 11 11 ARG N N 11 120.795 121.858 -1.063 1
1 36 . 14 1 1 A 11 11 ARG H H 11 8.132 7.622 0.510 1
1 37 . 14 1 1 A 11 11 ARG CA C 11 56.092 55.714 0.378 1
1 38 . 14 1 1 A 11 11 ARG HA H 11 4.257 4.356 -0.099 1
1 39 . 14 1 1 A 11 11 ARG CB C 11 30.721 31.248 -0.527 1
1 48 . 14 1 1 A 11 11 ARG C C 11 176.045 175.371 0.674 1
1 49 . 14 1 1 A 12 12 ARG N N 12 123.167 124.981 -1.814 1
1 50 . 14 1 1 A 12 12 ARG H H 12 8.222 8.542 -0.320 1
1 51 . 14 1 1 A 12 12 ARG CA C 12 53.918 52.720 1.198 1
1 52 . 14 1 1 A 12 12 ARG HA H 12 4.506 4.792 -0.286 1
1 53 . 14 1 1 A 12 12 ARG CB C 12 29.923 31.934 -2.011 1
1 62 . 14 1 1 A 12 12 ARG C C 12 174.073 173.497 0.576 1
1 63 . 14 1 1 A 13 13 PRO CA C 13 62.815 62.394 0.421 1
1 64 . 14 1 1 A 13 13 PRO HA H 13 4.255 4.605 -0.350 1
1 65 . 14 1 1 A 13 13 PRO CB C 13 31.903 32.513 -0.610 1
1 74 . 14 1 1 A 13 13 PRO C C 13 176.315 177.240 -0.925 1
1 75 . 14 1 1 A 14 14 LEU N N 14 122.009 119.805 2.204 1
1 76 . 14 1 1 A 14 14 LEU H H 14 8.090 8.795 -0.705 1
1 77 . 14 1 1 A 14 14 LEU CA C 14 55.286 57.447 -2.161 1
1 78 . 14 1 1 A 14 14 LEU HA H 14 4.065 3.912 0.153 1
1 79 . 14 1 1 A 14 14 LEU CB C 14 42.258 41.989 0.269 1
1 92 . 14 1 1 A 14 14 LEU C C 14 176.610 177.225 -0.615 1
1 93 . 14 1 1 A 15 15 TRP N N 15 120.219 118.076 2.143 1
1 94 . 14 1 1 A 15 15 TRP H H 15 7.582 7.904 -0.322 1
1 95 . 14 1 1 A 15 15 TRP CA C 15 56.114 57.570 -1.456 1
1 96 . 14 1 1 A 15 15 TRP HA H 15 4.803 4.827 -0.024 1
1 97 . 14 1 1 A 15 15 TRP CB C 15 29.845 30.553 -0.708 1
1 112 . 14 1 1 A 15 15 TRP C C 15 176.093 176.132 -0.039 1
1 113 . 14 1 1 A 16 16 GLU N N 16 124.270 120.940 3.330 1
1 114 . 14 1 1 A 16 16 GLU H H 16 8.901 9.118 -0.217 1
1 115 . 14 1 1 A 16 16 GLU CA C 16 54.729 53.693 1.036 1
1 116 . 14 1 1 A 16 16 GLU HA H 16 4.471 4.767 -0.296 1
1 117 . 14 1 1 A 16 16 GLU CB C 16 29.173 30.320 -1.147 1
1 123 . 14 1 1 A 16 16 GLU C C 16 175.525 176.359 -0.834 1
1 124 . 14 1 1 A 17 17 PRO CA C 17 64.535 64.406 0.129 1
1 125 . 14 1 1 A 17 17 PRO HA H 17 4.306 4.499 -0.193 1
1 126 . 14 1 1 A 17 17 PRO CB C 17 32.105 31.769 0.336 1
1 135 . 14 1 1 A 17 17 PRO C C 17 177.261 177.500 -0.239 1
1 136 . 14 1 1 A 18 18 GLU N N 18 116.089 115.555 0.534 1
1 137 . 14 1 1 A 18 18 GLU H H 18 8.459 8.512 -0.053 1
1 138 . 14 1 1 A 18 18 GLU CA C 18 57.215 58.691 -1.476 1
1 139 . 14 1 1 A 18 18 GLU HA H 18 4.203 4.184 0.019 1
1 140 . 14 1 1 A 18 18 GLU CB C 18 29.321 29.346 -0.025 1
1 146 . 14 1 1 A 18 18 GLU C C 18 176.941 176.899 0.042 1
1 147 . 14 1 1 A 19 19 GLU N N 19 120.173 119.049 1.124 1
1 148 . 14 1 1 A 19 19 GLU H H 19 7.861 7.701 0.160 1
1 149 . 14 1 1 A 19 19 GLU CA C 19 56.170 56.893 -0.723 1
1 150 . 14 1 1 A 19 19 GLU HA H 19 4.257 4.404 -0.147 1
1 151 . 14 1 1 A 19 19 GLU CB C 19 30.012 30.001 0.011 1
1 157 . 14 1 1 A 19 19 GLU C C 19 176.182 176.343 -0.161 1
1 158 . 14 1 1 A 20 20 THR N N 20 120.847 119.441 1.406 1
1 159 . 14 1 1 A 20 20 THR H H 20 9.010 8.650 0.360 1
1 160 . 14 1 1 A 20 20 THR CA C 20 63.200 62.812 0.388 1
1 161 . 14 1 1 A 20 20 THR HA H 20 4.188 4.364 -0.176 1
1 162 . 14 1 1 A 20 20 THR CB C 20 69.394 68.104 1.290 1
1 168 . 14 1 1 A 20 20 THR C C 20 172.501 174.088 -1.587 1
1 169 . 14 1 1 A 21 21 VAL N N 21 128.753 127.462 1.291 1
1 170 . 14 1 1 A 21 21 VAL H H 21 8.497 8.373 0.124 1
1 171 . 14 1 1 A 21 21 VAL CA C 21 61.422 62.456 -1.034 1
1 172 . 14 1 1 A 21 21 VAL HA H 21 4.546 4.314 0.232 1
1 173 . 14 1 1 A 21 21 VAL CB C 21 33.236 31.541 1.695 1
1 183 . 14 1 1 A 21 21 VAL C C 21 175.700 175.860 -0.160 1
1 184 . 14 1 1 A 22 22 VAL N N 22 119.061 122.927 -3.866 1
1 185 . 14 1 1 A 22 22 VAL H H 22 9.159 9.090 0.069 1
1 186 . 14 1 1 A 22 22 VAL CA C 22 57.799 59.136 -1.337 1
1 187 . 14 1 1 A 22 22 VAL HA H 22 5.187 5.402 -0.215 1
1 188 . 14 1 1 A 22 22 VAL CB C 22 35.307 34.455 0.852 1
1 198 . 14 1 1 A 22 22 VAL C C 22 173.461 174.291 -0.830 1
1 199 . 14 1 1 A 23 23 ILE N N 23 120.660 122.867 -2.207 1
1 200 . 14 1 1 A 23 23 ILE H H 23 9.354 9.028 0.326 1
1 201 . 14 1 1 A 23 23 ILE CA C 23 58.793 59.492 -0.699 1
1 202 . 14 1 1 A 23 23 ILE HA H 23 5.082 5.295 -0.213 1
1 203 . 14 1 1 A 23 23 ILE CB C 23 41.289 41.513 -0.224 1
1 216 . 14 1 1 A 23 23 ILE C C 23 176.270 174.501 1.769 1
1 217 . 14 1 1 A 24 24 ALA N N 24 125.421 128.186 -2.765 1
1 218 . 14 1 1 A 24 24 ALA H H 24 8.184 8.599 -0.415 1
1 219 . 14 1 1 A 24 24 ALA CA C 24 51.461 51.391 0.070 1
1 220 . 14 1 1 A 24 24 ALA HA H 24 4.982 4.873 0.109 1
1 221 . 14 1 1 A 24 24 ALA CB C 24 20.231 19.638 0.593 1
1 225 . 14 1 1 A 24 24 ALA C C 24 178.664 177.620 1.044 1
1 226 . 14 1 1 A 25 25 LEU N N 25 126.185 124.757 1.428 1
1 227 . 14 1 1 A 25 25 LEU H H 25 9.388 8.936 0.452 1
1 228 . 14 1 1 A 25 25 LEU CA C 25 55.799 55.529 0.270 1
1 229 . 14 1 1 A 25 25 LEU HA H 25 3.875 4.040 -0.165 1
1 230 . 14 1 1 A 25 25 LEU CB C 25 43.786 42.200 1.586 1
1 243 . 14 1 1 A 25 25 LEU C C 25 175.686 176.366 -0.680 1
1 244 . 14 1 1 A 26 26 TYR N N 26 110.488 115.816 -5.328 1
1 245 . 14 1 1 A 26 26 TYR H H 26 6.878 7.610 -0.732 1
1 246 . 14 1 1 A 26 26 TYR CA C 26 53.575 56.251 -2.676 1
1 247 . 14 1 1 A 26 26 TYR HA H 26 4.744 5.199 -0.455 1
1 248 . 14 1 1 A 26 26 TYR CB C 26 42.393 42.632 -0.239 1
1 259 . 14 1 1 A 26 26 TYR C C 26 173.800 174.476 -0.676 1
1 260 . 14 1 1 A 27 27 ASP N N 27 117.327 122.970 -5.643 1
1 261 . 14 1 1 A 27 27 ASP H H 27 8.278 8.531 -0.253 1
1 262 . 14 1 1 A 27 27 ASP CA C 27 54.522 53.673 0.849 1
1 263 . 14 1 1 A 27 27 ASP HA H 27 4.639 4.972 -0.333 1
1 264 . 14 1 1 A 27 27 ASP CB C 27 41.944 41.339 0.605 1
1 267 . 14 1 1 A 27 27 ASP C C 27 176.000 175.276 0.724 1
1 268 . 14 1 1 A 28 28 TYR N N 28 121.747 128.446 -6.699 1
1 269 . 14 1 1 A 28 28 TYR H H 28 8.724 9.250 -0.526 1
1 270 . 14 1 1 A 28 28 TYR CA C 28 57.938 58.818 -0.880 1
1 271 . 14 1 1 A 28 28 TYR HA H 28 4.934 5.001 -0.067 1
1 272 . 14 1 1 A 28 28 TYR CB C 28 42.161 39.776 2.385 1
1 283 . 14 1 1 A 28 28 TYR C C 28 173.834 174.578 -0.744 1
1 284 . 14 1 1 A 29 29 GLN N N 29 126.180 124.603 1.577 1
1 285 . 14 1 1 A 29 29 GLN H H 29 7.959 8.634 -0.675 1
1 286 . 14 1 1 A 29 29 GLN CA C 29 54.153 53.818 0.335 1
1 287 . 14 1 1 A 29 29 GLN HA H 29 4.507 4.920 -0.413 1
1 288 . 14 1 1 A 29 29 GLN CB C 29 29.854 31.709 -1.855 1
1 297 . 14 1 1 A 29 29 GLN C C 29 173.966 173.139 0.827 1
1 298 . 14 1 1 A 30 30 THR N N 30 115.009 119.320 -4.311 1
1 299 . 14 1 1 A 30 30 THR H H 30 7.982 8.755 -0.773 1
1 300 . 14 1 1 A 30 30 THR CA C 30 59.769 59.491 0.278 1
1 301 . 14 1 1 A 30 30 THR HA H 30 4.319 4.752 -0.433 1
1 302 . 14 1 1 A 30 30 THR CB C 30 69.002 70.792 -1.790 1
1 308 . 14 1 1 A 30 30 THR C C 30 172.388 174.357 -1.969 1
1 309 . 14 1 1 A 31 31 ASN N N 31 121.715 122.103 -0.388 1
1 310 . 14 1 1 A 31 31 ASN H H 31 8.702 8.567 0.135 1
1 311 . 14 1 1 A 31 31 ASN CA C 31 52.449 53.825 -1.376 1
1 312 . 14 1 1 A 31 31 ASN HA H 31 4.787 4.771 0.016 1
1 313 . 14 1 1 A 31 31 ASN CB C 31 39.822 39.614 0.208 1
1 319 . 14 1 1 A 31 31 ASN C C 31 174.579 175.009 -0.430 1
1 320 . 14 1 1 A 32 32 ASP N N 32 124.854 119.060 5.794 1
1 321 . 14 1 1 A 32 32 ASP H H 32 8.333 7.634 0.699 1
1 322 . 14 1 1 A 32 32 ASP CA C 32 51.996 51.400 0.596 1
1 323 . 14 1 1 A 32 32 ASP HA H 32 4.827 4.912 -0.085 1
1 324 . 14 1 1 A 32 32 ASP CB C 32 43.075 41.251 1.824 1
1 327 . 14 1 1 A 32 32 ASP C C 32 176.135 175.779 0.356 1
1 328 . 14 1 1 A 33 33 PRO CA C 33 64.451 65.052 -0.601 1
1 329 . 14 1 1 A 33 33 PRO HA H 33 4.490 4.281 0.209 1
1 330 . 14 1 1 A 33 33 PRO CB C 33 32.425 31.891 0.534 1
1 339 . 14 1 1 A 33 33 PRO C C 33 177.612 178.830 -1.218 1
1 340 . 14 1 1 A 34 34 GLN N N 34 116.032 117.576 -1.544 1
1 341 . 14 1 1 A 34 34 GLN H H 34 8.906 8.773 0.133 1
1 342 . 14 1 1 A 34 34 GLN CA C 34 56.080 59.276 -3.196 1
1 343 . 14 1 1 A 34 34 GLN HA H 34 4.559 4.011 0.548 1
1 344 . 14 1 1 A 34 34 GLN CB C 34 29.488 28.366 1.122 1
1 353 . 14 1 1 A 34 34 GLN C C 34 176.811 176.933 -0.122 1
1 354 . 14 1 1 A 35 35 GLU N N 35 120.585 117.303 3.282 1
1 355 . 14 1 1 A 35 35 GLU H H 35 7.905 7.862 0.043 1
1 356 . 14 1 1 A 35 35 GLU CA C 35 55.147 55.892 -0.745 1
1 357 . 14 1 1 A 35 35 GLU HA H 35 5.370 4.485 0.885 1
1 358 . 14 1 1 A 35 35 GLU CB C 35 33.394 30.286 3.108 1
1 364 . 14 1 1 A 35 35 GLU C C 35 174.508 175.363 -0.855 1
1 365 . 14 1 1 A 36 36 LEU N N 36 122.127 125.278 -3.151 1
1 366 . 14 1 1 A 36 36 LEU H H 36 7.553 8.740 -1.187 1
1 367 . 14 1 1 A 36 36 LEU CA C 36 53.375 53.432 -0.057 1
1 368 . 14 1 1 A 36 36 LEU HA H 36 4.415 5.025 -0.610 1
1 369 . 14 1 1 A 36 36 LEU CB C 36 45.685 44.939 0.746 1
1 382 . 14 1 1 A 36 36 LEU C C 36 173.533 175.213 -1.680 1
1 383 . 14 1 1 A 37 37 ALA N N 37 124.419 128.130 -3.711 1
1 384 . 14 1 1 A 37 37 ALA H H 37 7.813 8.809 -0.996 1
1 385 . 14 1 1 A 37 37 ALA CA C 37 51.854 50.814 1.040 1
1 386 . 14 1 1 A 37 37 ALA HA H 37 4.581 4.907 -0.326 1
1 387 . 14 1 1 A 37 37 ALA CB C 37 19.371 19.957 -0.586 1
1 391 . 14 1 1 A 37 37 ALA C C 37 177.822 177.292 0.530 1
1 392 . 14 1 1 A 38 38 LEU N N 38 116.787 124.177 -7.390 1
1 393 . 14 1 1 A 38 38 LEU H H 38 8.656 8.782 -0.126 1
1 394 . 14 1 1 A 38 38 LEU CA C 38 52.952 55.359 -2.407 1
1 395 . 14 1 1 A 38 38 LEU HA H 38 5.026 4.313 0.713 1
1 396 . 14 1 1 A 38 38 LEU CB C 38 45.223 42.482 2.741 1
1 409 . 14 1 1 A 38 38 LEU C C 38 177.842 176.396 1.446 1
1 410 . 14 1 1 A 39 39 ARG N N 39 123.462 122.344 1.118 1
1 411 . 14 1 1 A 39 39 ARG H H 39 8.333 9.185 -0.852 1
1 412 . 14 1 1 A 39 39 ARG CA C 39 53.731 54.206 -0.475 1
1 413 . 14 1 1 A 39 39 ARG HA H 39 4.977 5.446 -0.469 1
1 414 . 14 1 1 A 39 39 ARG CB C 39 32.431 34.054 -1.623 1
1 423 . 14 1 1 A 39 39 ARG C C 39 174.595 175.362 -0.767 1
1 424 . 14 1 1 A 40 40 ARG N N 40 123.974 127.349 -3.375 1
1 425 . 14 1 1 A 40 40 ARG H H 40 8.899 8.351 0.548 1
1 426 . 14 1 1 A 40 40 ARG CA C 40 58.302 57.549 0.753 1
1 427 . 14 1 1 A 40 40 ARG HA H 40 3.350 4.034 -0.684 1
1 428 . 14 1 1 A 40 40 ARG CB C 40 30.480 30.268 0.212 1
1 437 . 14 1 1 A 40 40 ARG C C 40 176.432 177.008 -0.576 1
1 438 . 14 1 1 A 41 41 ASN N N 41 117.655 119.392 -1.737 1
1 439 . 14 1 1 A 41 41 ASN H H 41 9.246 8.672 0.574 1
1 440 . 14 1 1 A 41 41 ASN CA C 41 55.859 54.380 1.479 1
1 441 . 14 1 1 A 41 41 ASN HA H 41 4.227 4.320 -0.093 1
1 442 . 14 1 1 A 41 41 ASN CB C 41 37.555 36.964 0.591 1
1 448 . 14 1 1 A 41 41 ASN C C 41 174.318 174.005 0.313 1
1 449 . 14 1 1 A 42 42 GLU N N 42 122.758 116.971 5.787 1
1 450 . 14 1 1 A 42 42 GLU H H 42 8.419 7.826 0.593 1
1 451 . 14 1 1 A 42 42 GLU CA C 42 56.625 55.100 1.525 1
1 452 . 14 1 1 A 42 42 GLU HA H 42 4.445 5.011 -0.566 1
1 453 . 14 1 1 A 42 42 GLU CB C 42 29.887 33.639 -3.752 1
1 459 . 14 1 1 A 42 42 GLU C C 42 173.885 175.398 -1.513 1
1 460 . 14 1 1 A 43 43 GLU N N 43 119.431 122.091 -2.660 1
1 461 . 14 1 1 A 43 43 GLU H H 43 7.901 8.825 -0.924 1
1 462 . 14 1 1 A 43 43 GLU CA C 43 54.997 55.640 -0.643 1
1 463 . 14 1 1 A 43 43 GLU HA H 43 5.106 5.333 -0.227 1
1 464 . 14 1 1 A 43 43 GLU CB C 43 32.392 31.899 0.493 1
1 470 . 14 1 1 A 43 43 GLU C C 43 175.285 175.385 -0.100 1
1 471 . 14 1 1 A 44 44 TYR N N 44 118.011 119.123 -1.112 1
1 472 . 14 1 1 A 44 44 TYR H H 44 9.196 8.853 0.343 1
1 473 . 14 1 1 A 44 44 TYR CA C 44 56.847 56.421 0.426 1
1 474 . 14 1 1 A 44 44 TYR HA H 44 4.708 4.769 -0.061 1
1 475 . 14 1 1 A 44 44 TYR CB C 44 42.218 42.769 -0.551 1
1 486 . 14 1 1 A 44 44 TYR C C 44 173.315 174.110 -0.795 1
1 487 . 14 1 1 A 45 45 CYS N N 45 120.674 123.028 -2.354 1
1 488 . 14 1 1 A 45 45 CYS H H 45 8.803 8.550 0.253 1
1 489 . 14 1 1 A 45 45 CYS CA C 45 57.318 57.692 -0.374 1
1 490 . 14 1 1 A 45 45 CYS HA H 45 4.425 4.739 -0.314 1
1 491 . 14 1 1 A 45 45 CYS CB C 45 27.610 29.622 -2.012 1
1 494 . 14 1 1 A 45 45 CYS C C 45 174.817 173.895 0.922 1
1 495 . 14 1 1 A 46 46 LEU N N 46 129.242 128.335 0.907 1
1 496 . 14 1 1 A 46 46 LEU H H 46 8.803 8.286 0.517 1
1 497 . 14 1 1 A 46 46 LEU CA C 46 55.404 55.525 -0.121 1
1 498 . 14 1 1 A 46 46 LEU HA H 46 4.224 4.386 -0.162 1
1 499 . 14 1 1 A 46 46 LEU CB C 46 42.929 42.212 0.717 1
1 512 . 14 1 1 A 46 46 LEU C C 46 174.895 175.973 -1.078 1
1 513 . 14 1 1 A 47 47 LEU N N 47 127.172 128.402 -1.230 1
1 514 . 14 1 1 A 47 47 LEU H H 47 8.780 8.917 -0.137 1
1 515 . 14 1 1 A 47 47 LEU CA C 47 55.322 56.906 -1.584 1
1 516 . 14 1 1 A 47 47 LEU HA H 47 4.478 4.275 0.203 1
1 517 . 14 1 1 A 47 47 LEU CB C 47 42.904 42.119 0.785 1
1 530 . 14 1 1 A 47 47 LEU C C 47 177.543 176.647 0.896 1
1 531 . 14 1 1 A 48 48 ASP N N 48 115.262 116.418 -1.156 1
1 532 . 14 1 1 A 48 48 ASP H H 48 7.516 7.931 -0.415 1
1 533 . 14 1 1 A 48 48 ASP CA C 48 54.649 52.813 1.836 1
1 534 . 14 1 1 A 48 48 ASP HA H 48 4.754 4.881 -0.127 1
1 535 . 14 1 1 A 48 48 ASP CB C 48 43.524 43.243 0.281 1
1 538 . 14 1 1 A 48 48 ASP C C 48 175.044 175.901 -0.857 1
1 539 . 14 1 1 A 49 49 SER N N 49 123.571 120.028 3.543 1
1 540 . 14 1 1 A 49 49 SER H H 49 8.911 8.430 0.481 1
1 541 . 14 1 1 A 49 49 SER CA C 49 56.641 57.149 -0.508 1
1 542 . 14 1 1 A 49 49 SER HA H 49 4.019 4.399 -0.380 1
1 543 . 14 1 1 A 49 49 SER CB C 49 62.018 62.451 -0.433 1
1 546 . 14 1 1 A 49 49 SER C C 49 173.953 175.749 -1.796 1
1 547 . 14 1 1 A 50 50 SER N N 50 118.555 118.402 0.153 1
1 548 . 14 1 1 A 50 50 SER H H 50 8.528 8.018 0.510 1
1 549 . 14 1 1 A 50 50 SER CA C 50 61.824 62.197 -0.373 1
1 550 . 14 1 1 A 50 50 SER HA H 50 4.050 4.071 -0.021 1
1 551 . 14 1 1 A 50 50 SER CB C 50 63.334 62.790 0.544 1
1 554 . 14 1 1 A 50 50 SER C C 50 175.507 175.558 -0.051 1
1 555 . 14 1 1 A 51 51 GLU N N 51 123.653 118.298 5.355 1
1 556 . 14 1 1 A 51 51 GLU H H 51 8.756 8.195 0.561 1
1 557 . 14 1 1 A 51 51 GLU CA C 51 55.391 55.973 -0.582 1
1 558 . 14 1 1 A 51 51 GLU HA H 51 4.690 4.583 0.107 1
1 559 . 14 1 1 A 51 51 GLU CB C 51 30.112 31.379 -1.267 1
1 565 . 14 1 1 A 51 51 GLU C C 51 176.574 176.227 0.347 1
1 566 . 14 1 1 A 52 52 ILE N N 52 117.495 121.428 -3.933 1
1 567 . 14 1 1 A 52 52 ILE H H 52 8.223 8.621 -0.398 1
1 568 . 14 1 1 A 52 52 ILE CA C 52 64.478 62.857 1.621 1
1 569 . 14 1 1 A 52 52 ILE HA H 52 3.946 4.328 -0.382 1
1 570 . 14 1 1 A 52 52 ILE CB C 52 38.365 38.664 -0.299 1
1 583 . 14 1 1 A 52 52 ILE C C 52 178.681 177.371 1.310 1
1 584 . 14 1 1 A 53 53 HIS N N 53 116.338 116.817 -0.479 1
1 585 . 14 1 1 A 53 53 HIS H H 53 8.529 7.626 0.903 1
1 586 . 14 1 1 A 53 53 HIS CA C 53 57.974 58.529 -0.555 1
1 587 . 14 1 1 A 53 53 HIS HA H 53 4.332 3.997 0.335 1
1 588 . 14 1 1 A 53 53 HIS CB C 53 31.646 30.455 1.191 1
1 595 . 14 1 1 A 53 53 HIS C C 53 175.678 174.393 1.285 1
1 596 . 14 1 1 A 54 54 TRP N N 54 120.664 117.081 3.583 1
1 597 . 14 1 1 A 54 54 TRP H H 54 7.298 7.723 -0.425 1
1 598 . 14 1 1 A 54 54 TRP CA C 54 55.972 55.654 0.318 1
1 599 . 14 1 1 A 54 54 TRP HA H 54 5.142 5.301 -0.159 1
1 600 . 14 1 1 A 54 54 TRP CB C 54 31.957 30.524 1.433 1
1 615 . 14 1 1 A 54 54 TRP C C 54 174.289 175.230 -0.941 1
1 616 . 14 1 1 A 55 55 TRP N N 55 124.636 124.646 -0.010 1
1 617 . 14 1 1 A 55 55 TRP H H 55 9.260 9.353 -0.093 1
1 618 . 14 1 1 A 55 55 TRP CA C 55 53.365 56.171 -2.806 1
1 619 . 14 1 1 A 55 55 TRP HA H 55 5.503 5.226 0.277 1
1 620 . 14 1 1 A 55 55 TRP CB C 55 32.591 31.908 0.683 1
1 635 . 14 1 1 A 55 55 TRP C C 55 174.620 175.460 -0.840 1
1 636 . 14 1 1 A 56 56 ARG N N 56 122.963 124.609 -1.646 1
1 637 . 14 1 1 A 56 56 ARG H H 56 8.876 8.950 -0.074 1
1 638 . 14 1 1 A 56 56 ARG CA C 56 55.250 55.360 -0.110 1
1 639 . 14 1 1 A 56 56 ARG HA H 56 4.716 4.955 -0.239 1
1 640 . 14 1 1 A 56 56 ARG CB C 56 32.705 31.583 1.122 1
1 651 . 14 1 1 A 56 56 ARG C C 56 175.777 175.708 0.069 1
1 652 . 14 1 1 A 57 57 VAL N N 57 119.683 120.115 -0.432 1
1 653 . 14 1 1 A 57 57 VAL H H 57 8.784 9.044 -0.260 1
1 654 . 14 1 1 A 57 57 VAL CA C 57 58.632 58.754 -0.122 1
1 655 . 14 1 1 A 57 57 VAL HA H 57 5.356 5.046 0.310 1
1 656 . 14 1 1 A 57 57 VAL CB C 57 36.354 36.009 0.345 1
1 666 . 14 1 1 A 57 57 VAL C C 57 172.758 173.472 -0.714 1
1 667 . 14 1 1 A 58 58 GLN N N 58 118.904 121.319 -2.415 1
1 668 . 14 1 1 A 58 58 GLN H H 58 8.911 8.837 0.074 1
1 669 . 14 1 1 A 58 58 GLN CA C 58 53.324 53.960 -0.636 1
1 670 . 14 1 1 A 58 58 GLN HA H 58 5.677 5.512 0.165 1
1 671 . 14 1 1 A 58 58 GLN CB C 58 35.149 32.170 2.979 1
1 680 . 14 1 1 A 58 58 GLN C C 58 175.711 175.635 0.076 1
1 681 . 14 1 1 A 59 59 ASP N N 59 125.232 126.159 -0.927 1
1 682 . 14 1 1 A 59 59 ASP H H 59 9.274 8.634 0.640 1
1 683 . 14 1 1 A 59 59 ASP CA C 59 52.577 53.017 -0.440 1
1 684 . 14 1 1 A 59 59 ASP HA H 59 5.257 4.859 0.398 1
1 685 . 14 1 1 A 59 59 ASP CB C 59 43.563 41.425 2.138 1
1 688 . 14 1 1 A 59 59 ASP C C 59 178.615 178.309 0.306 1
1 689 . 14 1 1 A 60 60 ARG N N 60 117.439 118.330 -0.891 1
1 690 . 14 1 1 A 60 60 ARG H H 60 9.177 8.774 0.403 1
1 691 . 14 1 1 A 60 60 ARG CA C 60 57.908 58.657 -0.749 1
1 692 . 14 1 1 A 60 60 ARG HA H 60 3.987 4.022 -0.035 1
1 693 . 14 1 1 A 60 60 ARG CB C 60 29.590 29.909 -0.319 1
1 702 . 14 1 1 A 60 60 ARG C C 60 176.395 178.370 -1.975 1
1 703 . 14 1 1 A 61 61 ASN N N 61 117.081 115.941 1.140 1
1 704 . 14 1 1 A 61 61 ASN H H 61 8.294 7.727 0.567 1
1 705 . 14 1 1 A 61 61 ASN CA C 61 53.024 53.818 -0.794 1
1 706 . 14 1 1 A 61 61 ASN HA H 61 4.852 4.488 0.364 1
1 707 . 14 1 1 A 61 61 ASN CB C 61 39.662 38.388 1.274 1
1 713 . 14 1 1 A 61 61 ASN C C 61 175.197 175.309 -0.112 1
1 714 . 14 1 1 A 62 62 GLY N N 62 107.804 105.944 1.860 1
1 715 . 14 1 1 A 62 62 GLY H H 62 8.195 7.918 0.277 1
1 716 . 14 1 1 A 62 62 GLY CA C 62 45.423 44.836 0.587 1
1 717 . 14 1 1 A 62 62 GLY HA2 H 62 3.551 4.037 -0.486 1
1 718 . 14 1 1 A 62 62 GLY HA3 H 62 4.225 4.048 0.177 1
1 719 . 14 1 1 A 62 62 GLY C C 62 174.475 174.476 -0.001 1
1 720 . 14 1 1 A 63 63 HIS N N 63 122.780 118.942 3.838 1
1 721 . 14 1 1 A 63 63 HIS H H 63 8.615 8.114 0.501 1
1 722 . 14 1 1 A 63 63 HIS CA C 63 55.653 56.068 -0.415 1
1 723 . 14 1 1 A 63 63 HIS HA H 63 4.784 4.729 0.055 1
1 724 . 14 1 1 A 63 63 HIS CB C 63 29.357 32.233 -2.876 1
1 731 . 14 1 1 A 63 63 HIS C C 63 173.926 174.140 -0.214 1
1 732 . 14 1 1 A 64 64 GLU N N 64 119.741 118.816 0.925 1
1 733 . 14 1 1 A 64 64 GLU H H 64 8.681 8.787 -0.106 1
1 734 . 14 1 1 A 64 64 GLU CA C 64 53.989 55.165 -1.176 1
1 735 . 14 1 1 A 64 64 GLU HA H 64 5.835 5.216 0.619 1
1 736 . 14 1 1 A 64 64 GLU CB C 64 34.417 33.596 0.821 1
1 742 . 14 1 1 A 64 64 GLU C C 64 176.358 175.709 0.649 1
1 743 . 14 1 1 A 65 65 GLY N N 65 105.646 108.300 -2.654 1
1 744 . 14 1 1 A 65 65 GLY H H 65 8.399 8.416 -0.017 1
1 745 . 14 1 1 A 65 65 GLY CA C 65 45.368 45.714 -0.346 1
1 746 . 14 1 1 A 65 65 GLY HA2 H 65 3.959 4.037 -0.078 1
1 747 . 14 1 1 A 65 65 GLY HA3 H 65 3.835 4.177 -0.342 1
1 748 . 14 1 1 A 65 65 GLY C C 65 170.819 171.469 -0.650 1
1 749 . 14 1 1 A 66 66 TYR N N 66 119.001 120.454 -1.453 1
1 750 . 14 1 1 A 66 66 TYR H H 66 8.863 8.457 0.406 1
1 751 . 14 1 1 A 66 66 TYR CA C 66 59.140 58.678 0.462 1
1 752 . 14 1 1 A 66 66 TYR HA H 66 5.317 4.796 0.521 1
1 753 . 14 1 1 A 66 66 TYR CB C 66 40.974 37.856 3.118 1
1 764 . 14 1 1 A 66 66 TYR C C 66 176.158 175.799 0.359 1
1 765 . 14 1 1 A 67 67 VAL N N 67 112.145 120.225 -8.080 1
1 766 . 14 1 1 A 67 67 VAL H H 67 9.180 8.780 0.400 1
1 767 . 14 1 1 A 67 67 VAL CA C 67 57.686 58.613 -0.927 1
1 768 . 14 1 1 A 67 67 VAL HA H 67 4.803 4.933 -0.130 1
1 769 . 14 1 1 A 67 67 VAL CB C 67 33.564 33.419 0.145 1
1 779 . 14 1 1 A 67 67 VAL C C 67 172.139 173.994 -1.855 1
1 780 . 14 1 1 A 68 68 PRO CA C 68 61.422 62.298 -0.876 1
1 781 . 14 1 1 A 68 68 PRO HA H 68 3.745 4.571 -0.826 1
1 782 . 14 1 1 A 68 68 PRO CB C 68 30.557 30.887 -0.330 1
1 791 . 14 1 1 A 68 68 PRO C C 68 178.674 177.188 1.486 1
1 792 . 14 1 1 A 69 69 SER N N 69 122.331 121.213 1.118 1
1 793 . 14 1 1 A 69 69 SER H H 69 7.791 8.297 -0.506 1
1 794 . 14 1 1 A 69 69 SER CA C 69 60.162 61.170 -1.008 1
1 795 . 14 1 1 A 69 69 SER HA H 69 2.790 3.875 -1.085 1
1 796 . 14 1 1 A 69 69 SER CB C 69 60.021 61.810 -1.789 1
1 799 . 14 1 1 A 69 69 SER C C 69 176.238 176.146 0.092 1
1 800 . 14 1 1 A 70 70 SER N N 70 114.849 116.747 -1.898 1
1 801 . 14 1 1 A 70 70 SER H H 70 7.812 7.946 -0.134 1
1 802 . 14 1 1 A 70 70 SER CA C 70 59.590 62.288 -2.698 1
1 803 . 14 1 1 A 70 70 SER HA H 70 4.095 3.990 0.105 1
1 804 . 14 1 1 A 70 70 SER CB C 70 62.885 62.709 0.176 1
1 807 . 14 1 1 A 70 70 SER C C 70 175.286 176.473 -1.187 1
1 808 . 14 1 1 A 71 71 TYR N N 71 122.244 119.550 2.694 1
1 809 . 14 1 1 A 71 71 TYR H H 71 7.593 8.083 -0.490 1
1 810 . 14 1 1 A 71 71 TYR CA C 71 58.102 60.375 -2.273 1
1 811 . 14 1 1 A 71 71 TYR HA H 71 4.496 4.400 0.096 1
1 812 . 14 1 1 A 71 71 TYR CB C 71 37.631 38.848 -1.217 1
1 823 . 14 1 1 A 71 71 TYR C C 71 174.002 176.587 -2.585 1
1 824 . 14 1 1 A 72 72 LEU N N 72 119.079 119.251 -0.172 1
1 825 . 14 1 1 A 72 72 LEU H H 72 7.270 7.481 -0.211 1
1 826 . 14 1 1 A 72 72 LEU CA C 72 53.625 55.949 -2.324 1
1 827 . 14 1 1 A 72 72 LEU HA H 72 5.388 4.455 0.933 1
1 828 . 14 1 1 A 72 72 LEU CB C 72 46.623 42.660 3.963 1
1 841 . 14 1 1 A 72 72 LEU C C 72 175.893 176.286 -0.393 1
1 842 . 14 1 1 A 73 73 VAL N N 73 116.343 118.641 -2.298 1
1 843 . 14 1 1 A 73 73 VAL H H 73 8.610 9.024 -0.414 1
1 844 . 14 1 1 A 73 73 VAL CA C 73 59.707 59.184 0.523 1
1 845 . 14 1 1 A 73 73 VAL HA H 73 4.601 4.825 -0.224 1
1 846 . 14 1 1 A 73 73 VAL CB C 73 35.811 35.366 0.445 1
1 856 . 14 1 1 A 73 73 VAL C C 73 174.186 174.390 -0.204 1
1 857 . 14 1 1 A 74 74 GLU N N 74 124.925 125.549 -0.624 1
1 858 . 14 1 1 A 74 74 GLU H H 74 8.845 8.465 0.380 1
1 859 . 14 1 1 A 74 74 GLU CA C 74 57.745 56.940 0.805 1
1 860 . 14 1 1 A 74 74 GLU HA H 74 4.363 4.533 -0.170 1
1 861 . 14 1 1 A 74 74 GLU CB C 74 30.164 30.364 -0.200 1
1 867 . 14 1 1 A 74 74 GLU C C 74 176.322 176.415 -0.093 1
1 868 . 14 1 1 A 75 75 LYS N N 75 125.959 129.469 -3.510 1
1 869 . 14 1 1 A 75 75 LYS H H 75 8.556 7.930 0.626 1
1 870 . 14 1 1 A 75 75 LYS CA C 75 57.115 57.433 -0.318 1
1 871 . 14 1 1 A 75 75 LYS HA H 75 4.157 4.225 -0.068 1
1 872 . 14 1 1 A 75 75 LYS CB C 75 33.626 32.796 0.830 1
1 884 . 14 1 1 A 75 75 LYS C C 75 175.944 175.694 0.250 1
1 885 . 14 1 1 A 76 76 SER N N 76 121.519 120.700 0.819 1
1 886 . 14 1 1 A 76 76 SER H H 76 8.576 8.759 -0.183 1
1 887 . 14 1 1 A 76 76 SER CA C 76 56.205 56.751 -0.546 1
1 888 . 14 1 1 A 76 76 SER HA H 76 4.809 4.724 0.085 1
1 889 . 14 1 1 A 76 76 SER CB C 76 63.582 63.060 0.522 1
1 891 . 14 1 1 A 76 76 SER C C 76 172.875 174.737 -1.862 1
1 892 . 14 1 1 A 77 77 PRO CA C 77 63.453 64.131 -0.678 1
1 893 . 14 1 1 A 77 77 PRO HA H 77 4.434 4.518 -0.084 1
1 894 . 14 1 1 A 77 77 PRO CB C 77 32.104 31.808 0.296 1
1 903 . 14 1 1 A 77 77 PRO C C 77 176.734 178.035 -1.301 1
1 904 . 14 1 1 A 78 78 ASN N N 78 118.087 117.332 0.755 1
1 905 . 14 1 1 A 78 78 ASN H H 78 8.434 8.819 -0.385 1
1 906 . 14 1 1 A 78 78 ASN CA C 78 53.314 56.633 -3.319 1
1 907 . 14 1 1 A 78 78 ASN HA H 78 4.653 4.500 0.153 1
1 908 . 14 1 1 A 78 78 ASN CB C 78 38.823 38.108 0.715 1
1 914 . 14 1 1 A 78 78 ASN C C 78 174.985 175.204 -0.219 1
1 915 . 14 1 1 A 79 79 ASN N N 79 119.198 115.000 4.198 1
1 916 . 14 1 1 A 79 79 ASN H H 79 8.312 8.097 0.215 1
1 917 . 14 1 1 A 79 79 ASN CA C 79 53.379 51.744 1.635 1
1 918 . 14 1 1 A 79 79 ASN HA H 79 4.696 5.143 -0.447 1
1 919 . 14 1 1 A 79 79 ASN CB C 79 38.827 41.631 -2.804 1
1 925 . 14 1 1 A 79 79 ASN C C 79 175.132 173.309 1.823 1
1 926 . 14 1 1 A 80 80 LEU N N 80 122.154 126.839 -4.685 1
1 927 . 14 1 1 A 80 80 LEU H H 80 8.195 8.993 -0.798 1
1 928 . 14 1 1 A 80 80 LEU CA C 80 55.523 54.155 1.368 1
1 929 . 14 1 1 A 80 80 LEU HA H 80 4.305 4.618 -0.313 1
1 930 . 14 1 1 A 80 80 LEU CB C 80 42.304 41.947 0.357 1
1 943 . 14 1 1 A 80 80 LEU C C 80 177.461 175.967 1.494 1
1 944 . 14 1 1 A 81 81 GLU N N 81 121.156 124.464 -3.308 1
1 945 . 14 1 1 A 81 81 GLU H H 81 8.341 8.850 -0.509 1
1 946 . 14 1 1 A 81 81 GLU CA C 81 56.665 55.080 1.585 1
1 947 . 14 1 1 A 81 81 GLU HA H 81 4.253 4.715 -0.462 1
1 948 . 14 1 1 A 81 81 GLU CB C 81 30.219 30.446 -0.227 1
1 954 . 14 1 1 A 81 81 GLU C C 81 176.365 174.938 1.427 1
1 955 . 14 1 1 A 82 82 THR N N 82 114.319 122.128 -7.809 1
1 956 . 14 1 1 A 82 82 THR H H 82 7.970 8.749 -0.779 1
1 957 . 14 1 1 A 82 82 THR CA C 82 61.517 61.644 -0.127 1
1 958 . 14 1 1 A 82 82 THR HA H 82 4.211 4.697 -0.486 1
1 959 . 14 1 1 A 82 82 THR CB C 82 69.881 70.364 -0.483 1
1 965 . 14 1 1 A 82 82 THR C C 82 173.812 172.788 1.024 1
1 966 . 14 1 1 A 83 83 TYR N N 83 122.614 124.158 -1.544 1
1 967 . 14 1 1 A 83 83 TYR H H 83 8.076 8.930 -0.854 1
1 968 . 14 1 1 A 83 83 TYR CA C 83 57.640 55.961 1.679 1
1 969 . 14 1 1 A 83 83 TYR HA H 83 4.444 5.059 -0.615 1
1 970 . 14 1 1 A 83 83 TYR CB C 83 38.964 41.502 -2.538 1
1 981 . 14 1 1 A 83 83 TYR C C 83 175.115 174.557 0.558 1
1 982 . 14 1 1 A 84 84 GLU N N 84 122.790 122.195 0.595 1
1 983 . 14 1 1 A 84 84 GLU H H 84 7.995 8.848 -0.853 1
1 984 . 14 1 1 A 84 84 GLU CA C 84 56.097 55.053 1.044 1
1 985 . 14 1 1 A 84 84 GLU HA H 84 4.227 5.002 -0.775 1
1 986 . 14 1 1 A 84 84 GLU CB C 84 30.506 30.635 -0.129 1
1 992 . 14 1 1 A 84 84 GLU C C 84 174.707 175.420 -0.713 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.365 45.618 -0.253 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.970 4.219 -0.249 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.824 4.280 -0.456 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.351 174.081 0.270 1
1 5 . 15 1 1 A 8 8 GLU N N 8 120.458 119.793 0.665 1
1 6 . 15 1 1 A 8 8 GLU H H 8 8.288 8.153 0.135 1
1 7 . 15 1 1 A 8 8 GLU CA C 8 56.663 55.174 1.489 1
1 8 . 15 1 1 A 8 8 GLU HA H 8 4.254 4.754 -0.500 1
1 9 . 15 1 1 A 8 8 GLU CB C 8 30.248 31.354 -1.106 1
1 15 . 15 1 1 A 8 8 GLU C C 8 176.364 175.425 0.939 1
1 16 . 15 1 1 A 9 9 ASP N N 9 120.849 123.138 -2.289 1
1 17 . 15 1 1 A 9 9 ASP H H 9 8.379 8.562 -0.183 1
1 18 . 15 1 1 A 9 9 ASP CA C 9 54.402 53.527 0.875 1
1 19 . 15 1 1 A 9 9 ASP HA H 9 4.543 5.124 -0.581 1
1 20 . 15 1 1 A 9 9 ASP CB C 9 41.035 44.639 -3.604 1
1 23 . 15 1 1 A 9 9 ASP C C 9 176.003 174.187 1.816 1
1 24 . 15 1 1 A 10 10 ASN N N 10 119.270 123.791 -4.521 1
1 25 . 15 1 1 A 10 10 ASN H H 10 8.303 8.845 -0.542 1
1 26 . 15 1 1 A 10 10 ASN CA C 10 53.233 52.619 0.614 1
1 27 . 15 1 1 A 10 10 ASN HA H 10 4.654 4.985 -0.331 1
1 28 . 15 1 1 A 10 10 ASN CB C 10 38.832 39.944 -1.112 1
1 34 . 15 1 1 A 10 10 ASN C C 10 175.079 174.985 0.094 1
1 35 . 15 1 1 A 11 11 ARG N N 11 120.795 126.269 -5.474 1
1 36 . 15 1 1 A 11 11 ARG H H 11 8.132 8.669 -0.537 1
1 37 . 15 1 1 A 11 11 ARG CA C 11 56.092 54.953 1.139 1
1 38 . 15 1 1 A 11 11 ARG HA H 11 4.257 4.699 -0.442 1
1 39 . 15 1 1 A 11 11 ARG CB C 11 30.721 31.921 -1.200 1
1 48 . 15 1 1 A 11 11 ARG C C 11 176.045 175.207 0.838 1
1 49 . 15 1 1 A 12 12 ARG N N 12 123.167 119.888 3.279 1
1 50 . 15 1 1 A 12 12 ARG H H 12 8.222 8.452 -0.230 1
1 51 . 15 1 1 A 12 12 ARG CA C 12 53.918 52.588 1.330 1
1 52 . 15 1 1 A 12 12 ARG HA H 12 4.506 4.759 -0.253 1
1 53 . 15 1 1 A 12 12 ARG CB C 12 29.923 31.706 -1.783 1
1 62 . 15 1 1 A 12 12 ARG C C 12 174.073 173.538 0.535 1
1 63 . 15 1 1 A 13 13 PRO CA C 13 62.815 62.335 0.480 1
1 64 . 15 1 1 A 13 13 PRO HA H 13 4.255 4.607 -0.352 1
1 65 . 15 1 1 A 13 13 PRO CB C 13 31.903 32.432 -0.529 1
1 74 . 15 1 1 A 13 13 PRO C C 13 176.315 176.760 -0.445 1
1 75 . 15 1 1 A 14 14 LEU N N 14 122.009 119.956 2.053 1
1 76 . 15 1 1 A 14 14 LEU H H 14 8.090 8.875 -0.785 1
1 77 . 15 1 1 A 14 14 LEU CA C 14 55.286 56.775 -1.489 1
1 78 . 15 1 1 A 14 14 LEU HA H 14 4.065 4.141 -0.076 1
1 79 . 15 1 1 A 14 14 LEU CB C 14 42.258 42.487 -0.229 1
1 92 . 15 1 1 A 14 14 LEU C C 14 176.610 176.827 -0.217 1
1 93 . 15 1 1 A 15 15 TRP N N 15 120.219 116.900 3.319 1
1 94 . 15 1 1 A 15 15 TRP H H 15 7.582 8.132 -0.550 1
1 95 . 15 1 1 A 15 15 TRP CA C 15 56.114 56.838 -0.724 1
1 96 . 15 1 1 A 15 15 TRP HA H 15 4.803 5.000 -0.197 1
1 97 . 15 1 1 A 15 15 TRP CB C 15 29.845 31.947 -2.102 1
1 112 . 15 1 1 A 15 15 TRP C C 15 176.093 175.933 0.160 1
1 113 . 15 1 1 A 16 16 GLU N N 16 124.270 120.223 4.047 1
1 114 . 15 1 1 A 16 16 GLU H H 16 8.901 8.778 0.123 1
1 115 . 15 1 1 A 16 16 GLU CA C 16 54.729 53.566 1.163 1
1 116 . 15 1 1 A 16 16 GLU HA H 16 4.471 4.801 -0.330 1
1 117 . 15 1 1 A 16 16 GLU CB C 16 29.173 30.707 -1.534 1
1 123 . 15 1 1 A 16 16 GLU C C 16 175.525 176.447 -0.922 1
1 124 . 15 1 1 A 17 17 PRO CA C 17 64.535 64.607 -0.072 1
1 125 . 15 1 1 A 17 17 PRO HA H 17 4.306 4.439 -0.133 1
1 126 . 15 1 1 A 17 17 PRO CB C 17 32.105 31.963 0.142 1
1 135 . 15 1 1 A 17 17 PRO C C 17 177.261 177.945 -0.684 1
1 136 . 15 1 1 A 18 18 GLU N N 18 116.089 117.563 -1.474 1
1 137 . 15 1 1 A 18 18 GLU H H 18 8.459 8.637 -0.178 1
1 138 . 15 1 1 A 18 18 GLU CA C 18 57.215 59.135 -1.920 1
1 139 . 15 1 1 A 18 18 GLU HA H 18 4.203 4.108 0.095 1
1 140 . 15 1 1 A 18 18 GLU CB C 18 29.321 29.931 -0.610 1
1 146 . 15 1 1 A 18 18 GLU C C 18 176.941 177.407 -0.466 1
1 147 . 15 1 1 A 19 19 GLU N N 19 120.173 117.931 2.242 1
1 148 . 15 1 1 A 19 19 GLU H H 19 7.861 7.843 0.018 1
1 149 . 15 1 1 A 19 19 GLU CA C 19 56.170 55.983 0.187 1
1 150 . 15 1 1 A 19 19 GLU HA H 19 4.257 4.391 -0.134 1
1 151 . 15 1 1 A 19 19 GLU CB C 19 30.012 29.973 0.039 1
1 157 . 15 1 1 A 19 19 GLU C C 19 176.182 176.376 -0.194 1
1 158 . 15 1 1 A 20 20 THR N N 20 120.847 117.533 3.314 1
1 159 . 15 1 1 A 20 20 THR H H 20 9.010 8.432 0.578 1
1 160 . 15 1 1 A 20 20 THR CA C 20 63.200 63.917 -0.717 1
1 161 . 15 1 1 A 20 20 THR HA H 20 4.188 4.206 -0.018 1
1 162 . 15 1 1 A 20 20 THR CB C 20 69.394 68.517 0.877 1
1 168 . 15 1 1 A 20 20 THR C C 20 172.501 173.997 -1.496 1
1 169 . 15 1 1 A 21 21 VAL N N 21 128.753 128.224 0.529 1
1 170 . 15 1 1 A 21 21 VAL H H 21 8.497 8.686 -0.189 1
1 171 . 15 1 1 A 21 21 VAL CA C 21 61.422 60.684 0.738 1
1 172 . 15 1 1 A 21 21 VAL HA H 21 4.546 4.637 -0.091 1
1 173 . 15 1 1 A 21 21 VAL CB C 21 33.236 33.535 -0.299 1
1 183 . 15 1 1 A 21 21 VAL C C 21 175.700 175.497 0.203 1
1 184 . 15 1 1 A 22 22 VAL N N 22 119.061 121.622 -2.561 1
1 185 . 15 1 1 A 22 22 VAL H H 22 9.159 8.771 0.388 1
1 186 . 15 1 1 A 22 22 VAL CA C 22 57.799 59.225 -1.426 1
1 187 . 15 1 1 A 22 22 VAL HA H 22 5.187 5.364 -0.177 1
1 188 . 15 1 1 A 22 22 VAL CB C 22 35.307 35.212 0.095 1
1 198 . 15 1 1 A 22 22 VAL C C 22 173.461 174.565 -1.104 1
1 199 . 15 1 1 A 23 23 ILE N N 23 120.660 121.590 -0.930 1
1 200 . 15 1 1 A 23 23 ILE H H 23 9.354 8.446 0.908 1
1 201 . 15 1 1 A 23 23 ILE CA C 23 58.793 59.836 -1.043 1
1 202 . 15 1 1 A 23 23 ILE HA H 23 5.082 5.055 0.027 1
1 203 . 15 1 1 A 23 23 ILE CB C 23 41.289 42.159 -0.870 1
1 216 . 15 1 1 A 23 23 ILE C C 23 176.270 174.634 1.636 1
1 217 . 15 1 1 A 24 24 ALA N N 24 125.421 128.050 -2.629 1
1 218 . 15 1 1 A 24 24 ALA H H 24 8.184 8.656 -0.472 1
1 219 . 15 1 1 A 24 24 ALA CA C 24 51.461 51.349 0.112 1
1 220 . 15 1 1 A 24 24 ALA HA H 24 4.982 4.775 0.207 1
1 221 . 15 1 1 A 24 24 ALA CB C 24 20.231 19.071 1.160 1
1 225 . 15 1 1 A 24 24 ALA C C 24 178.664 178.096 0.568 1
1 226 . 15 1 1 A 25 25 LEU N N 25 126.185 126.106 0.079 1
1 227 . 15 1 1 A 25 25 LEU H H 25 9.388 8.597 0.791 1
1 228 . 15 1 1 A 25 25 LEU CA C 25 55.799 57.099 -1.300 1
1 229 . 15 1 1 A 25 25 LEU HA H 25 3.875 3.820 0.055 1
1 230 . 15 1 1 A 25 25 LEU CB C 25 43.786 41.249 2.537 1
1 243 . 15 1 1 A 25 25 LEU C C 25 175.686 176.382 -0.696 1
1 244 . 15 1 1 A 26 26 TYR N N 26 110.488 115.167 -4.679 1
1 245 . 15 1 1 A 26 26 TYR H H 26 6.878 7.706 -0.828 1
1 246 . 15 1 1 A 26 26 TYR CA C 26 53.575 56.466 -2.891 1
1 247 . 15 1 1 A 26 26 TYR HA H 26 4.744 5.246 -0.502 1
1 248 . 15 1 1 A 26 26 TYR CB C 26 42.393 42.103 0.290 1
1 259 . 15 1 1 A 26 26 TYR C C 26 173.800 174.363 -0.563 1
1 260 . 15 1 1 A 27 27 ASP N N 27 117.327 122.668 -5.341 1
1 261 . 15 1 1 A 27 27 ASP H H 27 8.278 8.687 -0.409 1
1 262 . 15 1 1 A 27 27 ASP CA C 27 54.522 53.566 0.956 1
1 263 . 15 1 1 A 27 27 ASP HA H 27 4.639 5.004 -0.365 1
1 264 . 15 1 1 A 27 27 ASP CB C 27 41.944 41.291 0.653 1
1 267 . 15 1 1 A 27 27 ASP C C 27 176.000 175.157 0.843 1
1 268 . 15 1 1 A 28 28 TYR N N 28 121.747 128.576 -6.829 1
1 269 . 15 1 1 A 28 28 TYR H H 28 8.724 9.245 -0.521 1
1 270 . 15 1 1 A 28 28 TYR CA C 28 57.938 58.689 -0.751 1
1 271 . 15 1 1 A 28 28 TYR HA H 28 4.934 4.988 -0.054 1
1 272 . 15 1 1 A 28 28 TYR CB C 28 42.161 39.681 2.480 1
1 283 . 15 1 1 A 28 28 TYR C C 28 173.834 174.922 -1.088 1
1 284 . 15 1 1 A 29 29 GLN N N 29 126.180 124.111 2.069 1
1 285 . 15 1 1 A 29 29 GLN H H 29 7.959 8.324 -0.365 1
1 286 . 15 1 1 A 29 29 GLN CA C 29 54.153 53.485 0.668 1
1 287 . 15 1 1 A 29 29 GLN HA H 29 4.507 5.157 -0.650 1
1 288 . 15 1 1 A 29 29 GLN CB C 29 29.854 33.075 -3.221 1
1 297 . 15 1 1 A 29 29 GLN C C 29 173.966 173.903 0.063 1
1 298 . 15 1 1 A 30 30 THR N N 30 115.009 114.597 0.412 1
1 299 . 15 1 1 A 30 30 THR H H 30 7.982 8.491 -0.509 1
1 300 . 15 1 1 A 30 30 THR CA C 30 59.769 60.541 -0.772 1
1 301 . 15 1 1 A 30 30 THR HA H 30 4.319 4.781 -0.462 1
1 302 . 15 1 1 A 30 30 THR CB C 30 69.002 70.478 -1.476 1
1 308 . 15 1 1 A 30 30 THR C C 30 172.388 172.141 0.247 1
1 309 . 15 1 1 A 31 31 ASN N N 31 121.715 126.043 -4.328 1
1 310 . 15 1 1 A 31 31 ASN H H 31 8.702 9.001 -0.299 1
1 311 . 15 1 1 A 31 31 ASN CA C 31 52.449 51.881 0.568 1
1 312 . 15 1 1 A 31 31 ASN HA H 31 4.787 4.992 -0.205 1
1 313 . 15 1 1 A 31 31 ASN CB C 31 39.822 39.021 0.801 1
1 319 . 15 1 1 A 31 31 ASN C C 31 174.579 174.417 0.162 1
1 320 . 15 1 1 A 32 32 ASP N N 32 124.854 120.839 4.015 1
1 321 . 15 1 1 A 32 32 ASP H H 32 8.333 7.474 0.859 1
1 322 . 15 1 1 A 32 32 ASP CA C 32 51.996 51.306 0.690 1
1 323 . 15 1 1 A 32 32 ASP HA H 32 4.827 4.901 -0.074 1
1 324 . 15 1 1 A 32 32 ASP CB C 32 43.075 41.339 1.736 1
1 327 . 15 1 1 A 32 32 ASP C C 32 176.135 175.826 0.309 1
1 328 . 15 1 1 A 33 33 PRO CA C 33 64.451 64.451 0.000 1
1 329 . 15 1 1 A 33 33 PRO HA H 33 4.490 4.434 0.056 1
1 330 . 15 1 1 A 33 33 PRO CB C 33 32.425 31.951 0.474 1
1 339 . 15 1 1 A 33 33 PRO C C 33 177.612 177.526 0.086 1
1 340 . 15 1 1 A 34 34 GLN N N 34 116.032 114.873 1.159 1
1 341 . 15 1 1 A 34 34 GLN H H 34 8.906 8.454 0.452 1
1 342 . 15 1 1 A 34 34 GLN CA C 34 56.080 55.255 0.825 1
1 343 . 15 1 1 A 34 34 GLN HA H 34 4.559 4.329 0.230 1
1 344 . 15 1 1 A 34 34 GLN CB C 34 29.488 28.370 1.118 1
1 353 . 15 1 1 A 34 34 GLN C C 34 176.811 175.012 1.799 1
1 354 . 15 1 1 A 35 35 GLU N N 35 120.585 120.068 0.517 1
1 355 . 15 1 1 A 35 35 GLU H H 35 7.905 7.284 0.621 1
1 356 . 15 1 1 A 35 35 GLU CA C 35 55.147 54.951 0.196 1
1 357 . 15 1 1 A 35 35 GLU HA H 35 5.370 4.982 0.388 1
1 358 . 15 1 1 A 35 35 GLU CB C 35 33.394 34.733 -1.339 1
1 364 . 15 1 1 A 35 35 GLU C C 35 174.508 174.360 0.148 1
1 365 . 15 1 1 A 36 36 LEU N N 36 122.127 124.166 -2.039 1
1 366 . 15 1 1 A 36 36 LEU H H 36 7.553 8.415 -0.862 1
1 367 . 15 1 1 A 36 36 LEU CA C 36 53.375 53.409 -0.034 1
1 368 . 15 1 1 A 36 36 LEU HA H 36 4.415 5.113 -0.698 1
1 369 . 15 1 1 A 36 36 LEU CB C 36 45.685 46.673 -0.988 1
1 382 . 15 1 1 A 36 36 LEU C C 36 173.533 174.379 -0.846 1
1 383 . 15 1 1 A 37 37 ALA N N 37 124.419 127.978 -3.559 1
1 384 . 15 1 1 A 37 37 ALA H H 37 7.813 8.798 -0.985 1
1 385 . 15 1 1 A 37 37 ALA CA C 37 51.854 50.562 1.292 1
1 386 . 15 1 1 A 37 37 ALA HA H 37 4.581 5.151 -0.570 1
1 387 . 15 1 1 A 37 37 ALA CB C 37 19.371 20.381 -1.010 1
1 391 . 15 1 1 A 37 37 ALA C C 37 177.822 177.049 0.773 1
1 392 . 15 1 1 A 38 38 LEU N N 38 116.787 124.066 -7.279 1
1 393 . 15 1 1 A 38 38 LEU H H 38 8.656 9.026 -0.370 1
1 394 . 15 1 1 A 38 38 LEU CA C 38 52.952 54.936 -1.984 1
1 395 . 15 1 1 A 38 38 LEU HA H 38 5.026 4.315 0.711 1
1 396 . 15 1 1 A 38 38 LEU CB C 38 45.223 42.315 2.908 1
1 409 . 15 1 1 A 38 38 LEU C C 38 177.842 176.384 1.458 1
1 410 . 15 1 1 A 39 39 ARG N N 39 123.462 122.581 0.881 1
1 411 . 15 1 1 A 39 39 ARG H H 39 8.333 9.014 -0.681 1
1 412 . 15 1 1 A 39 39 ARG CA C 39 53.731 54.238 -0.507 1
1 413 . 15 1 1 A 39 39 ARG HA H 39 4.977 5.209 -0.232 1
1 414 . 15 1 1 A 39 39 ARG CB C 39 32.431 33.847 -1.416 1
1 423 . 15 1 1 A 39 39 ARG C C 39 174.595 175.608 -1.013 1
1 424 . 15 1 1 A 40 40 ARG N N 40 123.974 127.542 -3.568 1
1 425 . 15 1 1 A 40 40 ARG H H 40 8.899 8.777 0.122 1
1 426 . 15 1 1 A 40 40 ARG CA C 40 58.302 57.860 0.442 1
1 427 . 15 1 1 A 40 40 ARG HA H 40 3.350 4.066 -0.716 1
1 428 . 15 1 1 A 40 40 ARG CB C 40 30.480 30.099 0.381 1
1 437 . 15 1 1 A 40 40 ARG C C 40 176.432 177.060 -0.628 1
1 438 . 15 1 1 A 41 41 ASN N N 41 117.655 118.953 -1.298 1
1 439 . 15 1 1 A 41 41 ASN H H 41 9.246 8.933 0.313 1
1 440 . 15 1 1 A 41 41 ASN CA C 41 55.859 54.390 1.469 1
1 441 . 15 1 1 A 41 41 ASN HA H 41 4.227 4.369 -0.142 1
1 442 . 15 1 1 A 41 41 ASN CB C 41 37.555 37.099 0.456 1
1 448 . 15 1 1 A 41 41 ASN C C 41 174.318 174.045 0.273 1
1 449 . 15 1 1 A 42 42 GLU N N 42 122.758 117.268 5.490 1
1 450 . 15 1 1 A 42 42 GLU H H 42 8.419 7.768 0.651 1
1 451 . 15 1 1 A 42 42 GLU CA C 42 56.625 55.202 1.423 1
1 452 . 15 1 1 A 42 42 GLU HA H 42 4.445 4.883 -0.438 1
1 453 . 15 1 1 A 42 42 GLU CB C 42 29.887 32.592 -2.705 1
1 459 . 15 1 1 A 42 42 GLU C C 42 173.885 175.492 -1.607 1
1 460 . 15 1 1 A 43 43 GLU N N 43 119.431 121.920 -2.489 1
1 461 . 15 1 1 A 43 43 GLU H H 43 7.901 8.684 -0.783 1
1 462 . 15 1 1 A 43 43 GLU CA C 43 54.997 55.607 -0.610 1
1 463 . 15 1 1 A 43 43 GLU HA H 43 5.106 5.269 -0.163 1
1 464 . 15 1 1 A 43 43 GLU CB C 43 32.392 31.810 0.582 1
1 470 . 15 1 1 A 43 43 GLU C C 43 175.285 175.336 -0.051 1
1 471 . 15 1 1 A 44 44 TYR N N 44 118.011 119.206 -1.195 1
1 472 . 15 1 1 A 44 44 TYR H H 44 9.196 8.967 0.229 1
1 473 . 15 1 1 A 44 44 TYR CA C 44 56.847 56.272 0.575 1
1 474 . 15 1 1 A 44 44 TYR HA H 44 4.708 5.057 -0.349 1
1 475 . 15 1 1 A 44 44 TYR CB C 44 42.218 43.389 -1.171 1
1 486 . 15 1 1 A 44 44 TYR C C 44 173.315 173.746 -0.431 1
1 487 . 15 1 1 A 45 45 CYS N N 45 120.674 120.957 -0.283 1
1 488 . 15 1 1 A 45 45 CYS H H 45 8.803 8.808 -0.005 1
1 489 . 15 1 1 A 45 45 CYS CA C 45 57.318 57.024 0.294 1
1 490 . 15 1 1 A 45 45 CYS HA H 45 4.425 4.990 -0.565 1
1 491 . 15 1 1 A 45 45 CYS CB C 45 27.610 30.267 -2.657 1
1 494 . 15 1 1 A 45 45 CYS C C 45 174.817 173.635 1.182 1
1 495 . 15 1 1 A 46 46 LEU N N 46 129.242 128.785 0.457 1
1 496 . 15 1 1 A 46 46 LEU H H 46 8.803 7.920 0.883 1
1 497 . 15 1 1 A 46 46 LEU CA C 46 55.404 55.320 0.084 1
1 498 . 15 1 1 A 46 46 LEU HA H 46 4.224 4.378 -0.154 1
1 499 . 15 1 1 A 46 46 LEU CB C 46 42.929 42.502 0.427 1
1 512 . 15 1 1 A 46 46 LEU C C 46 174.895 176.159 -1.264 1
1 513 . 15 1 1 A 47 47 LEU N N 47 127.172 128.854 -1.682 1
1 514 . 15 1 1 A 47 47 LEU H H 47 8.780 9.141 -0.361 1
1 515 . 15 1 1 A 47 47 LEU CA C 47 55.322 57.244 -1.922 1
1 516 . 15 1 1 A 47 47 LEU HA H 47 4.478 4.137 0.341 1
1 517 . 15 1 1 A 47 47 LEU CB C 47 42.904 42.401 0.503 1
1 530 . 15 1 1 A 47 47 LEU C C 47 177.543 176.478 1.065 1
1 531 . 15 1 1 A 48 48 ASP N N 48 115.262 115.712 -0.450 1
1 532 . 15 1 1 A 48 48 ASP H H 48 7.516 7.593 -0.077 1
1 533 . 15 1 1 A 48 48 ASP CA C 48 54.649 53.584 1.065 1
1 534 . 15 1 1 A 48 48 ASP HA H 48 4.754 4.885 -0.131 1
1 535 . 15 1 1 A 48 48 ASP CB C 48 43.524 44.737 -1.213 1
1 538 . 15 1 1 A 48 48 ASP C C 48 175.044 174.612 0.432 1
1 539 . 15 1 1 A 49 49 SER N N 49 123.571 118.167 5.404 1
1 540 . 15 1 1 A 49 49 SER H H 49 8.911 8.310 0.601 1
1 541 . 15 1 1 A 49 49 SER CA C 49 56.641 56.855 -0.214 1
1 542 . 15 1 1 A 49 49 SER HA H 49 4.019 4.589 -0.570 1
1 543 . 15 1 1 A 49 49 SER CB C 49 62.018 62.382 -0.364 1
1 546 . 15 1 1 A 49 49 SER C C 49 173.953 175.681 -1.728 1
1 547 . 15 1 1 A 50 50 SER N N 50 118.555 117.444 1.111 1
1 548 . 15 1 1 A 50 50 SER H H 50 8.528 8.066 0.462 1
1 549 . 15 1 1 A 50 50 SER CA C 50 61.824 61.612 0.212 1
1 550 . 15 1 1 A 50 50 SER HA H 50 4.050 4.093 -0.043 1
1 551 . 15 1 1 A 50 50 SER CB C 50 63.334 63.503 -0.169 1
1 554 . 15 1 1 A 50 50 SER C C 50 175.507 174.156 1.351 1
1 555 . 15 1 1 A 51 51 GLU N N 51 123.653 117.550 6.103 1
1 556 . 15 1 1 A 51 51 GLU H H 51 8.756 8.141 0.615 1
1 557 . 15 1 1 A 51 51 GLU CA C 51 55.391 54.691 0.700 1
1 558 . 15 1 1 A 51 51 GLU HA H 51 4.690 4.814 -0.124 1
1 559 . 15 1 1 A 51 51 GLU CB C 51 30.112 32.213 -2.101 1
1 565 . 15 1 1 A 51 51 GLU C C 51 176.574 176.193 0.381 1
1 566 . 15 1 1 A 52 52 ILE N N 52 117.495 121.702 -4.207 1
1 567 . 15 1 1 A 52 52 ILE H H 52 8.223 8.512 -0.289 1
1 568 . 15 1 1 A 52 52 ILE CA C 52 64.478 63.053 1.425 1
1 569 . 15 1 1 A 52 52 ILE HA H 52 3.946 4.357 -0.411 1
1 570 . 15 1 1 A 52 52 ILE CB C 52 38.365 38.479 -0.114 1
1 583 . 15 1 1 A 52 52 ILE C C 52 178.681 177.555 1.126 1
1 584 . 15 1 1 A 53 53 HIS N N 53 116.338 116.783 -0.445 1
1 585 . 15 1 1 A 53 53 HIS H H 53 8.529 7.719 0.810 1
1 586 . 15 1 1 A 53 53 HIS CA C 53 57.974 58.624 -0.650 1
1 587 . 15 1 1 A 53 53 HIS HA H 53 4.332 4.057 0.275 1
1 588 . 15 1 1 A 53 53 HIS CB C 53 31.646 29.494 2.152 1
1 595 . 15 1 1 A 53 53 HIS C C 53 175.678 174.241 1.437 1
1 596 . 15 1 1 A 54 54 TRP N N 54 120.664 117.536 3.128 1
1 597 . 15 1 1 A 54 54 TRP H H 54 7.298 7.677 -0.379 1
1 598 . 15 1 1 A 54 54 TRP CA C 54 55.972 55.476 0.496 1
1 599 . 15 1 1 A 54 54 TRP HA H 54 5.142 5.420 -0.278 1
1 600 . 15 1 1 A 54 54 TRP CB C 54 31.957 32.486 -0.529 1
1 615 . 15 1 1 A 54 54 TRP C C 54 174.289 175.322 -1.033 1
1 616 . 15 1 1 A 55 55 TRP N N 55 124.636 123.854 0.782 1
1 617 . 15 1 1 A 55 55 TRP H H 55 9.260 9.374 -0.114 1
1 618 . 15 1 1 A 55 55 TRP CA C 55 53.365 55.517 -2.152 1
1 619 . 15 1 1 A 55 55 TRP HA H 55 5.503 5.400 0.103 1
1 620 . 15 1 1 A 55 55 TRP CB C 55 32.591 32.271 0.320 1
1 635 . 15 1 1 A 55 55 TRP C C 55 174.620 175.376 -0.756 1
1 636 . 15 1 1 A 56 56 ARG N N 56 122.963 124.419 -1.456 1
1 637 . 15 1 1 A 56 56 ARG H H 56 8.876 9.014 -0.138 1
1 638 . 15 1 1 A 56 56 ARG CA C 56 55.250 55.332 -0.082 1
1 639 . 15 1 1 A 56 56 ARG HA H 56 4.716 5.110 -0.394 1
1 640 . 15 1 1 A 56 56 ARG CB C 56 32.705 31.860 0.845 1
1 651 . 15 1 1 A 56 56 ARG C C 56 175.777 175.930 -0.153 1
1 652 . 15 1 1 A 57 57 VAL N N 57 119.683 119.686 -0.003 1
1 653 . 15 1 1 A 57 57 VAL H H 57 8.784 8.533 0.251 1
1 654 . 15 1 1 A 57 57 VAL CA C 57 58.632 58.737 -0.105 1
1 655 . 15 1 1 A 57 57 VAL HA H 57 5.356 5.327 0.029 1
1 656 . 15 1 1 A 57 57 VAL CB C 57 36.354 36.362 -0.008 1
1 666 . 15 1 1 A 57 57 VAL C C 57 172.758 173.558 -0.800 1
1 667 . 15 1 1 A 58 58 GLN N N 58 118.904 120.835 -1.931 1
1 668 . 15 1 1 A 58 58 GLN H H 58 8.911 8.742 0.169 1
1 669 . 15 1 1 A 58 58 GLN CA C 58 53.324 54.346 -1.022 1
1 670 . 15 1 1 A 58 58 GLN HA H 58 5.677 5.148 0.529 1
1 671 . 15 1 1 A 58 58 GLN CB C 58 35.149 32.261 2.888 1
1 680 . 15 1 1 A 58 58 GLN C C 58 175.711 174.668 1.043 1
1 681 . 15 1 1 A 59 59 ASP N N 59 125.232 127.917 -2.685 1
1 682 . 15 1 1 A 59 59 ASP H H 59 9.274 9.285 -0.011 1
1 683 . 15 1 1 A 59 59 ASP CA C 59 52.577 54.272 -1.695 1
1 684 . 15 1 1 A 59 59 ASP HA H 59 5.257 4.701 0.556 1
1 685 . 15 1 1 A 59 59 ASP CB C 59 43.563 42.524 1.039 1
1 688 . 15 1 1 A 59 59 ASP C C 59 178.615 177.624 0.991 1
1 689 . 15 1 1 A 60 60 ARG N N 60 117.439 123.681 -6.242 1
1 690 . 15 1 1 A 60 60 ARG H H 60 9.177 8.801 0.376 1
1 691 . 15 1 1 A 60 60 ARG CA C 60 57.908 58.926 -1.018 1
1 692 . 15 1 1 A 60 60 ARG HA H 60 3.987 4.020 -0.033 1
1 693 . 15 1 1 A 60 60 ARG CB C 60 29.590 29.874 -0.284 1
1 702 . 15 1 1 A 60 60 ARG C C 60 176.395 178.253 -1.858 1
1 703 . 15 1 1 A 61 61 ASN N N 61 117.081 115.664 1.417 1
1 704 . 15 1 1 A 61 61 ASN H H 61 8.294 7.724 0.570 1
1 705 . 15 1 1 A 61 61 ASN CA C 61 53.024 54.361 -1.337 1
1 706 . 15 1 1 A 61 61 ASN HA H 61 4.852 4.429 0.423 1
1 707 . 15 1 1 A 61 61 ASN CB C 61 39.662 38.755 0.907 1
1 713 . 15 1 1 A 61 61 ASN C C 61 175.197 175.346 -0.149 1
1 714 . 15 1 1 A 62 62 GLY N N 62 107.804 105.854 1.950 1
1 715 . 15 1 1 A 62 62 GLY H H 62 8.195 7.388 0.807 1
1 716 . 15 1 1 A 62 62 GLY CA C 62 45.423 45.056 0.367 1
1 717 . 15 1 1 A 62 62 GLY HA2 H 62 3.551 4.050 -0.499 1
1 718 . 15 1 1 A 62 62 GLY HA3 H 62 4.225 4.056 0.169 1
1 719 . 15 1 1 A 62 62 GLY C C 62 174.475 174.283 0.192 1
1 720 . 15 1 1 A 63 63 HIS N N 63 122.780 118.230 4.550 1
1 721 . 15 1 1 A 63 63 HIS H H 63 8.615 7.802 0.813 1
1 722 . 15 1 1 A 63 63 HIS CA C 63 55.653 55.306 0.347 1
1 723 . 15 1 1 A 63 63 HIS HA H 63 4.784 4.816 -0.032 1
1 724 . 15 1 1 A 63 63 HIS CB C 63 29.357 31.812 -2.455 1
1 731 . 15 1 1 A 63 63 HIS C C 63 173.926 174.542 -0.616 1
1 732 . 15 1 1 A 64 64 GLU N N 64 119.741 122.760 -3.019 1
1 733 . 15 1 1 A 64 64 GLU H H 64 8.681 8.646 0.035 1
1 734 . 15 1 1 A 64 64 GLU CA C 64 53.989 55.017 -1.028 1
1 735 . 15 1 1 A 64 64 GLU HA H 64 5.835 5.534 0.301 1
1 736 . 15 1 1 A 64 64 GLU CB C 64 34.417 32.723 1.694 1
1 742 . 15 1 1 A 64 64 GLU C C 64 176.358 175.783 0.575 1
1 743 . 15 1 1 A 65 65 GLY N N 65 105.646 108.595 -2.949 1
1 744 . 15 1 1 A 65 65 GLY H H 65 8.399 8.234 0.165 1
1 745 . 15 1 1 A 65 65 GLY CA C 65 45.368 45.377 -0.009 1
1 746 . 15 1 1 A 65 65 GLY HA2 H 65 3.959 3.975 -0.016 1
1 747 . 15 1 1 A 65 65 GLY HA3 H 65 3.835 4.129 -0.294 1
1 748 . 15 1 1 A 65 65 GLY C C 65 170.819 171.146 -0.327 1
1 749 . 15 1 1 A 66 66 TYR N N 66 119.001 119.721 -0.720 1
1 750 . 15 1 1 A 66 66 TYR H H 66 8.863 8.310 0.553 1
1 751 . 15 1 1 A 66 66 TYR CA C 66 59.140 57.653 1.487 1
1 752 . 15 1 1 A 66 66 TYR HA H 66 5.317 5.283 0.034 1
1 753 . 15 1 1 A 66 66 TYR CB C 66 40.974 40.076 0.898 1
1 764 . 15 1 1 A 66 66 TYR C C 66 176.158 175.923 0.235 1
1 765 . 15 1 1 A 67 67 VAL N N 67 112.145 117.917 -5.772 1
1 766 . 15 1 1 A 67 67 VAL H H 67 9.180 8.726 0.454 1
1 767 . 15 1 1 A 67 67 VAL CA C 67 57.686 58.172 -0.486 1
1 768 . 15 1 1 A 67 67 VAL HA H 67 4.803 4.911 -0.108 1
1 769 . 15 1 1 A 67 67 VAL CB C 67 33.564 33.845 -0.281 1
1 779 . 15 1 1 A 67 67 VAL C C 67 172.139 173.352 -1.213 1
1 780 . 15 1 1 A 68 68 PRO CA C 68 61.422 62.484 -1.062 1
1 781 . 15 1 1 A 68 68 PRO HA H 68 3.745 4.508 -0.763 1
1 782 . 15 1 1 A 68 68 PRO CB C 68 30.557 31.345 -0.788 1
1 791 . 15 1 1 A 68 68 PRO C C 68 178.674 177.249 1.425 1
1 792 . 15 1 1 A 69 69 SER N N 69 122.331 121.966 0.365 1
1 793 . 15 1 1 A 69 69 SER H H 69 7.791 8.072 -0.281 1
1 794 . 15 1 1 A 69 69 SER CA C 69 60.162 61.016 -0.854 1
1 795 . 15 1 1 A 69 69 SER HA H 69 2.790 3.830 -1.040 1
1 796 . 15 1 1 A 69 69 SER CB C 69 60.021 61.807 -1.786 1
1 799 . 15 1 1 A 69 69 SER C C 69 176.238 176.083 0.155 1
1 800 . 15 1 1 A 70 70 SER N N 70 114.849 116.216 -1.367 1
1 801 . 15 1 1 A 70 70 SER H H 70 7.812 7.806 0.006 1
1 802 . 15 1 1 A 70 70 SER CA C 70 59.590 62.213 -2.623 1
1 803 . 15 1 1 A 70 70 SER HA H 70 4.095 3.979 0.116 1
1 804 . 15 1 1 A 70 70 SER CB C 70 62.885 63.304 -0.419 1
1 807 . 15 1 1 A 70 70 SER C C 70 175.286 176.300 -1.014 1
1 808 . 15 1 1 A 71 71 TYR N N 71 122.244 118.510 3.734 1
1 809 . 15 1 1 A 71 71 TYR H H 71 7.593 8.194 -0.601 1
1 810 . 15 1 1 A 71 71 TYR CA C 71 58.102 60.369 -2.267 1
1 811 . 15 1 1 A 71 71 TYR HA H 71 4.496 4.367 0.129 1
1 812 . 15 1 1 A 71 71 TYR CB C 71 37.631 39.225 -1.594 1
1 823 . 15 1 1 A 71 71 TYR C C 71 174.002 176.424 -2.422 1
1 824 . 15 1 1 A 72 72 LEU N N 72 119.079 119.088 -0.009 1
1 825 . 15 1 1 A 72 72 LEU H H 72 7.270 7.157 0.113 1
1 826 . 15 1 1 A 72 72 LEU CA C 72 53.625 55.845 -2.220 1
1 827 . 15 1 1 A 72 72 LEU HA H 72 5.388 4.515 0.873 1
1 828 . 15 1 1 A 72 72 LEU CB C 72 46.623 42.698 3.925 1
1 841 . 15 1 1 A 72 72 LEU C C 72 175.893 176.441 -0.548 1
1 842 . 15 1 1 A 73 73 VAL N N 73 116.343 118.483 -2.140 1
1 843 . 15 1 1 A 73 73 VAL H H 73 8.610 8.558 0.052 1
1 844 . 15 1 1 A 73 73 VAL CA C 73 59.707 59.305 0.402 1
1 845 . 15 1 1 A 73 73 VAL HA H 73 4.601 4.798 -0.197 1
1 846 . 15 1 1 A 73 73 VAL CB C 73 35.811 35.488 0.323 1
1 856 . 15 1 1 A 73 73 VAL C C 73 174.186 174.364 -0.178 1
1 857 . 15 1 1 A 74 74 GLU N N 74 124.925 125.569 -0.644 1
1 858 . 15 1 1 A 74 74 GLU H H 74 8.845 8.499 0.346 1
1 859 . 15 1 1 A 74 74 GLU CA C 74 57.745 57.008 0.737 1
1 860 . 15 1 1 A 74 74 GLU HA H 74 4.363 4.412 -0.049 1
1 861 . 15 1 1 A 74 74 GLU CB C 74 30.164 30.359 -0.195 1
1 867 . 15 1 1 A 74 74 GLU C C 74 176.322 176.376 -0.054 1
1 868 . 15 1 1 A 75 75 LYS N N 75 125.959 129.360 -3.401 1
1 869 . 15 1 1 A 75 75 LYS H H 75 8.556 7.836 0.720 1
1 870 . 15 1 1 A 75 75 LYS CA C 75 57.115 57.398 -0.283 1
1 871 . 15 1 1 A 75 75 LYS HA H 75 4.157 4.196 -0.039 1
1 872 . 15 1 1 A 75 75 LYS CB C 75 33.626 32.906 0.720 1
1 884 . 15 1 1 A 75 75 LYS C C 75 175.944 176.170 -0.226 1
1 885 . 15 1 1 A 76 76 SER N N 76 121.519 123.263 -1.744 1
1 886 . 15 1 1 A 76 76 SER H H 76 8.576 8.510 0.066 1
1 887 . 15 1 1 A 76 76 SER CA C 76 56.205 57.707 -1.502 1
1 888 . 15 1 1 A 76 76 SER HA H 76 4.809 4.419 0.390 1
1 889 . 15 1 1 A 76 76 SER CB C 76 63.582 62.957 0.625 1
1 891 . 15 1 1 A 76 76 SER C C 76 172.875 174.448 -1.573 1
1 892 . 15 1 1 A 77 77 PRO CA C 77 63.453 64.294 -0.841 1
1 893 . 15 1 1 A 77 77 PRO HA H 77 4.434 4.537 -0.103 1
1 894 . 15 1 1 A 77 77 PRO CB C 77 32.104 31.665 0.439 1
1 903 . 15 1 1 A 77 77 PRO C C 77 176.734 176.431 0.303 1
1 904 . 15 1 1 A 78 78 ASN N N 78 118.087 116.915 1.172 1
1 905 . 15 1 1 A 78 78 ASN H H 78 8.434 8.329 0.105 1
1 906 . 15 1 1 A 78 78 ASN CA C 78 53.314 52.230 1.084 1
1 907 . 15 1 1 A 78 78 ASN HA H 78 4.653 4.870 -0.217 1
1 908 . 15 1 1 A 78 78 ASN CB C 78 38.823 38.531 0.292 1
1 914 . 15 1 1 A 78 78 ASN C C 78 174.985 174.669 0.316 1
1 915 . 15 1 1 A 79 79 ASN N N 79 119.198 123.471 -4.273 1
1 916 . 15 1 1 A 79 79 ASN H H 79 8.312 8.726 -0.414 1
1 917 . 15 1 1 A 79 79 ASN CA C 79 53.379 53.823 -0.444 1
1 918 . 15 1 1 A 79 79 ASN HA H 79 4.696 4.723 -0.027 1
1 919 . 15 1 1 A 79 79 ASN CB C 79 38.827 38.632 0.195 1
1 925 . 15 1 1 A 79 79 ASN C C 79 175.132 175.532 -0.400 1
1 926 . 15 1 1 A 80 80 LEU N N 80 122.154 125.453 -3.299 1
1 927 . 15 1 1 A 80 80 LEU H H 80 8.195 8.895 -0.700 1
1 928 . 15 1 1 A 80 80 LEU CA C 80 55.523 53.405 2.118 1
1 929 . 15 1 1 A 80 80 LEU HA H 80 4.305 4.887 -0.582 1
1 930 . 15 1 1 A 80 80 LEU CB C 80 42.304 43.859 -1.555 1
1 943 . 15 1 1 A 80 80 LEU C C 80 177.461 176.078 1.383 1
1 944 . 15 1 1 A 81 81 GLU N N 81 121.156 122.545 -1.389 1
1 945 . 15 1 1 A 81 81 GLU H H 81 8.341 9.006 -0.665 1
1 946 . 15 1 1 A 81 81 GLU CA C 81 56.665 55.296 1.369 1
1 947 . 15 1 1 A 81 81 GLU HA H 81 4.253 4.946 -0.693 1
1 948 . 15 1 1 A 81 81 GLU CB C 81 30.219 30.795 -0.576 1
1 954 . 15 1 1 A 81 81 GLU C C 81 176.365 176.028 0.337 1
1 955 . 15 1 1 A 82 82 THR N N 82 114.319 120.250 -5.931 1
1 956 . 15 1 1 A 82 82 THR H H 82 7.970 8.589 -0.619 1
1 957 . 15 1 1 A 82 82 THR CA C 82 61.517 62.175 -0.658 1
1 958 . 15 1 1 A 82 82 THR HA H 82 4.211 4.345 -0.134 1
1 959 . 15 1 1 A 82 82 THR CB C 82 69.881 68.284 1.597 1
1 965 . 15 1 1 A 82 82 THR C C 82 173.812 173.153 0.659 1
1 966 . 15 1 1 A 83 83 TYR N N 83 122.614 120.922 1.692 1
1 967 . 15 1 1 A 83 83 TYR H H 83 8.076 7.599 0.477 1
1 968 . 15 1 1 A 83 83 TYR CA C 83 57.640 56.374 1.266 1
1 969 . 15 1 1 A 83 83 TYR HA H 83 4.444 5.165 -0.721 1
1 970 . 15 1 1 A 83 83 TYR CB C 83 38.964 39.154 -0.190 1
1 981 . 15 1 1 A 83 83 TYR C C 83 175.115 174.619 0.496 1
1 982 . 15 1 1 A 84 84 GLU N N 84 122.790 123.538 -0.748 1
1 983 . 15 1 1 A 84 84 GLU H H 84 7.995 8.724 -0.729 1
1 984 . 15 1 1 A 84 84 GLU CA C 84 56.097 55.904 0.193 1
1 985 . 15 1 1 A 84 84 GLU HA H 84 4.227 4.841 -0.614 1
1 986 . 15 1 1 A 84 84 GLU CB C 84 30.506 29.300 1.206 1
1 992 . 15 1 1 A 84 84 GLU C C 84 174.707 175.998 -1.291 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.365 46.873 -1.508 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.970 3.902 0.068 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.824 3.903 -0.079 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.351 174.829 -0.478 1
1 5 . 16 1 1 A 8 8 GLU N N 8 120.458 121.082 -0.624 1
1 6 . 16 1 1 A 8 8 GLU H H 8 8.288 8.012 0.276 1
1 7 . 16 1 1 A 8 8 GLU CA C 8 56.663 55.879 0.784 1
1 8 . 16 1 1 A 8 8 GLU HA H 8 4.254 4.473 -0.219 1
1 9 . 16 1 1 A 8 8 GLU CB C 8 30.248 29.441 0.807 1
1 15 . 16 1 1 A 8 8 GLU C C 8 176.364 174.953 1.411 1
1 16 . 16 1 1 A 9 9 ASP N N 9 120.849 116.855 3.994 1
1 17 . 16 1 1 A 9 9 ASP H H 9 8.379 8.376 0.003 1
1 18 . 16 1 1 A 9 9 ASP CA C 9 54.402 55.522 -1.120 1
1 19 . 16 1 1 A 9 9 ASP HA H 9 4.543 4.344 0.199 1
1 20 . 16 1 1 A 9 9 ASP CB C 9 41.035 39.225 1.810 1
1 23 . 16 1 1 A 9 9 ASP C C 9 176.003 175.268 0.735 1
1 24 . 16 1 1 A 10 10 ASN N N 10 119.270 108.590 10.680 1
1 25 . 16 1 1 A 10 10 ASN H H 10 8.303 8.383 -0.080 1
1 26 . 16 1 1 A 10 10 ASN CA C 10 53.233 54.531 -1.298 1
1 27 . 16 1 1 A 10 10 ASN HA H 10 4.654 4.255 0.399 1
1 28 . 16 1 1 A 10 10 ASN CB C 10 38.832 36.824 2.008 1
1 34 . 16 1 1 A 10 10 ASN C C 10 175.079 173.827 1.252 1
1 35 . 16 1 1 A 11 11 ARG N N 11 120.795 117.290 3.505 1
1 36 . 16 1 1 A 11 11 ARG H H 11 8.132 7.462 0.670 1
1 37 . 16 1 1 A 11 11 ARG CA C 11 56.092 54.727 1.365 1
1 38 . 16 1 1 A 11 11 ARG HA H 11 4.257 4.890 -0.633 1
1 39 . 16 1 1 A 11 11 ARG CB C 11 30.721 34.122 -3.401 1
1 48 . 16 1 1 A 11 11 ARG C C 11 176.045 174.744 1.301 1
1 49 . 16 1 1 A 12 12 ARG N N 12 123.167 123.193 -0.026 1
1 50 . 16 1 1 A 12 12 ARG H H 12 8.222 8.485 -0.263 1
1 51 . 16 1 1 A 12 12 ARG CA C 12 53.918 54.303 -0.385 1
1 52 . 16 1 1 A 12 12 ARG HA H 12 4.506 4.725 -0.219 1
1 53 . 16 1 1 A 12 12 ARG CB C 12 29.923 34.070 -4.147 1
1 62 . 16 1 1 A 12 12 ARG C C 12 174.073 173.604 0.469 1
1 63 . 16 1 1 A 13 13 PRO CA C 13 62.815 62.493 0.322 1
1 64 . 16 1 1 A 13 13 PRO HA H 13 4.255 4.722 -0.467 1
1 65 . 16 1 1 A 13 13 PRO CB C 13 31.903 33.624 -1.721 1
1 74 . 16 1 1 A 13 13 PRO C C 13 176.315 176.454 -0.139 1
1 75 . 16 1 1 A 14 14 LEU N N 14 122.009 119.811 2.198 1
1 76 . 16 1 1 A 14 14 LEU H H 14 8.090 8.718 -0.628 1
1 77 . 16 1 1 A 14 14 LEU CA C 14 55.286 55.517 -0.231 1
1 78 . 16 1 1 A 14 14 LEU HA H 14 4.065 4.139 -0.074 1
1 79 . 16 1 1 A 14 14 LEU CB C 14 42.258 42.106 0.152 1
1 92 . 16 1 1 A 14 14 LEU C C 14 176.610 176.565 0.045 1
1 93 . 16 1 1 A 15 15 TRP N N 15 120.219 116.934 3.285 1
1 94 . 16 1 1 A 15 15 TRP H H 15 7.582 7.757 -0.175 1
1 95 . 16 1 1 A 15 15 TRP CA C 15 56.114 56.609 -0.495 1
1 96 . 16 1 1 A 15 15 TRP HA H 15 4.803 4.988 -0.185 1
1 97 . 16 1 1 A 15 15 TRP CB C 15 29.845 32.074 -2.229 1
1 112 . 16 1 1 A 15 15 TRP C C 15 176.093 175.801 0.292 1
1 113 . 16 1 1 A 16 16 GLU N N 16 124.270 119.367 4.903 1
1 114 . 16 1 1 A 16 16 GLU H H 16 8.901 8.863 0.038 1
1 115 . 16 1 1 A 16 16 GLU CA C 16 54.729 53.228 1.501 1
1 116 . 16 1 1 A 16 16 GLU HA H 16 4.471 4.896 -0.425 1
1 117 . 16 1 1 A 16 16 GLU CB C 16 29.173 30.936 -1.763 1
1 123 . 16 1 1 A 16 16 GLU C C 16 175.525 176.190 -0.665 1
1 124 . 16 1 1 A 17 17 PRO CA C 17 64.535 64.229 0.306 1
1 125 . 16 1 1 A 17 17 PRO HA H 17 4.306 4.491 -0.185 1
1 126 . 16 1 1 A 17 17 PRO CB C 17 32.105 31.708 0.397 1
1 135 . 16 1 1 A 17 17 PRO C C 17 177.261 177.831 -0.570 1
1 136 . 16 1 1 A 18 18 GLU N N 18 116.089 116.532 -0.443 1
1 137 . 16 1 1 A 18 18 GLU H H 18 8.459 8.385 0.074 1
1 138 . 16 1 1 A 18 18 GLU CA C 18 57.215 58.897 -1.682 1
1 139 . 16 1 1 A 18 18 GLU HA H 18 4.203 4.265 -0.062 1
1 140 . 16 1 1 A 18 18 GLU CB C 18 29.321 30.270 -0.949 1
1 146 . 16 1 1 A 18 18 GLU C C 18 176.941 176.978 -0.037 1
1 147 . 16 1 1 A 19 19 GLU N N 19 120.173 119.280 0.893 1
1 148 . 16 1 1 A 19 19 GLU H H 19 7.861 7.857 0.004 1
1 149 . 16 1 1 A 19 19 GLU CA C 19 56.170 56.228 -0.058 1
1 150 . 16 1 1 A 19 19 GLU HA H 19 4.257 4.411 -0.154 1
1 151 . 16 1 1 A 19 19 GLU CB C 19 30.012 30.198 -0.186 1
1 157 . 16 1 1 A 19 19 GLU C C 19 176.182 176.058 0.124 1
1 158 . 16 1 1 A 20 20 THR N N 20 120.847 118.113 2.734 1
1 159 . 16 1 1 A 20 20 THR H H 20 9.010 8.518 0.492 1
1 160 . 16 1 1 A 20 20 THR CA C 20 63.200 62.570 0.630 1
1 161 . 16 1 1 A 20 20 THR HA H 20 4.188 4.402 -0.214 1
1 162 . 16 1 1 A 20 20 THR CB C 20 69.394 68.732 0.662 1
1 168 . 16 1 1 A 20 20 THR C C 20 172.501 174.124 -1.623 1
1 169 . 16 1 1 A 21 21 VAL N N 21 128.753 128.274 0.479 1
1 170 . 16 1 1 A 21 21 VAL H H 21 8.497 8.873 -0.376 1
1 171 . 16 1 1 A 21 21 VAL CA C 21 61.422 61.261 0.161 1
1 172 . 16 1 1 A 21 21 VAL HA H 21 4.546 4.431 0.115 1
1 173 . 16 1 1 A 21 21 VAL CB C 21 33.236 33.118 0.118 1
1 183 . 16 1 1 A 21 21 VAL C C 21 175.700 175.545 0.155 1
1 184 . 16 1 1 A 22 22 VAL N N 22 119.061 120.082 -1.021 1
1 185 . 16 1 1 A 22 22 VAL H H 22 9.159 8.739 0.420 1
1 186 . 16 1 1 A 22 22 VAL CA C 22 57.799 59.445 -1.646 1
1 187 . 16 1 1 A 22 22 VAL HA H 22 5.187 5.288 -0.101 1
1 188 . 16 1 1 A 22 22 VAL CB C 22 35.307 35.864 -0.557 1
1 198 . 16 1 1 A 22 22 VAL C C 22 173.461 173.970 -0.509 1
1 199 . 16 1 1 A 23 23 ILE N N 23 120.660 125.153 -4.493 1
1 200 . 16 1 1 A 23 23 ILE H H 23 9.354 8.797 0.557 1
1 201 . 16 1 1 A 23 23 ILE CA C 23 58.793 59.842 -1.049 1
1 202 . 16 1 1 A 23 23 ILE HA H 23 5.082 4.935 0.147 1
1 203 . 16 1 1 A 23 23 ILE CB C 23 41.289 40.542 0.747 1
1 216 . 16 1 1 A 23 23 ILE C C 23 176.270 174.913 1.357 1
1 217 . 16 1 1 A 24 24 ALA N N 24 125.421 128.766 -3.345 1
1 218 . 16 1 1 A 24 24 ALA H H 24 8.184 8.792 -0.608 1
1 219 . 16 1 1 A 24 24 ALA CA C 24 51.461 51.521 -0.060 1
1 220 . 16 1 1 A 24 24 ALA HA H 24 4.982 4.782 0.200 1
1 221 . 16 1 1 A 24 24 ALA CB C 24 20.231 20.031 0.200 1
1 225 . 16 1 1 A 24 24 ALA C C 24 178.664 178.311 0.353 1
1 226 . 16 1 1 A 25 25 LEU N N 25 126.185 125.182 1.003 1
1 227 . 16 1 1 A 25 25 LEU H H 25 9.388 8.609 0.779 1
1 228 . 16 1 1 A 25 25 LEU CA C 25 55.799 56.309 -0.510 1
1 229 . 16 1 1 A 25 25 LEU HA H 25 3.875 3.908 -0.033 1
1 230 . 16 1 1 A 25 25 LEU CB C 25 43.786 42.176 1.610 1
1 243 . 16 1 1 A 25 25 LEU C C 25 175.686 176.334 -0.648 1
1 244 . 16 1 1 A 26 26 TYR N N 26 110.488 115.519 -5.031 1
1 245 . 16 1 1 A 26 26 TYR H H 26 6.878 7.704 -0.826 1
1 246 . 16 1 1 A 26 26 TYR CA C 26 53.575 56.526 -2.951 1
1 247 . 16 1 1 A 26 26 TYR HA H 26 4.744 5.150 -0.406 1
1 248 . 16 1 1 A 26 26 TYR CB C 26 42.393 42.514 -0.121 1
1 259 . 16 1 1 A 26 26 TYR C C 26 173.800 174.035 -0.235 1
1 260 . 16 1 1 A 27 27 ASP N N 27 117.327 120.351 -3.024 1
1 261 . 16 1 1 A 27 27 ASP H H 27 8.278 8.921 -0.643 1
1 262 . 16 1 1 A 27 27 ASP CA C 27 54.522 53.610 0.912 1
1 263 . 16 1 1 A 27 27 ASP HA H 27 4.639 5.154 -0.515 1
1 264 . 16 1 1 A 27 27 ASP CB C 27 41.944 39.781 2.163 1
1 267 . 16 1 1 A 27 27 ASP C C 27 176.000 175.301 0.699 1
1 268 . 16 1 1 A 28 28 TYR N N 28 121.747 123.288 -1.541 1
1 269 . 16 1 1 A 28 28 TYR H H 28 8.724 8.516 0.208 1
1 270 . 16 1 1 A 28 28 TYR CA C 28 57.938 59.833 -1.895 1
1 271 . 16 1 1 A 28 28 TYR HA H 28 4.934 4.561 0.373 1
1 272 . 16 1 1 A 28 28 TYR CB C 28 42.161 39.234 2.927 1
1 283 . 16 1 1 A 28 28 TYR C C 28 173.834 174.785 -0.951 1
1 284 . 16 1 1 A 29 29 GLN N N 29 126.180 125.086 1.094 1
1 285 . 16 1 1 A 29 29 GLN H H 29 7.959 8.172 -0.213 1
1 286 . 16 1 1 A 29 29 GLN CA C 29 54.153 54.243 -0.090 1
1 287 . 16 1 1 A 29 29 GLN HA H 29 4.507 4.984 -0.477 1
1 288 . 16 1 1 A 29 29 GLN CB C 29 29.854 31.545 -1.691 1
1 297 . 16 1 1 A 29 29 GLN C C 29 173.966 174.779 -0.813 1
1 298 . 16 1 1 A 30 30 THR N N 30 115.009 115.547 -0.538 1
1 299 . 16 1 1 A 30 30 THR H H 30 7.982 8.413 -0.431 1
1 300 . 16 1 1 A 30 30 THR CA C 30 59.769 61.363 -1.594 1
1 301 . 16 1 1 A 30 30 THR HA H 30 4.319 4.578 -0.259 1
1 302 . 16 1 1 A 30 30 THR CB C 30 69.002 71.267 -2.265 1
1 308 . 16 1 1 A 30 30 THR C C 30 172.388 172.889 -0.501 1
1 309 . 16 1 1 A 31 31 ASN N N 31 121.715 125.150 -3.435 1
1 310 . 16 1 1 A 31 31 ASN H H 31 8.702 8.613 0.089 1
1 311 . 16 1 1 A 31 31 ASN CA C 31 52.449 52.850 -0.401 1
1 312 . 16 1 1 A 31 31 ASN HA H 31 4.787 4.963 -0.176 1
1 313 . 16 1 1 A 31 31 ASN CB C 31 39.822 39.121 0.701 1
1 319 . 16 1 1 A 31 31 ASN C C 31 174.579 173.951 0.628 1
1 320 . 16 1 1 A 32 32 ASP N N 32 124.854 118.289 6.565 1
1 321 . 16 1 1 A 32 32 ASP H H 32 8.333 7.567 0.766 1
1 322 . 16 1 1 A 32 32 ASP CA C 32 51.996 51.634 0.362 1
1 323 . 16 1 1 A 32 32 ASP HA H 32 4.827 4.936 -0.109 1
1 324 . 16 1 1 A 32 32 ASP CB C 32 43.075 42.035 1.040 1
1 327 . 16 1 1 A 32 32 ASP C C 32 176.135 175.903 0.232 1
1 328 . 16 1 1 A 33 33 PRO CA C 33 64.451 64.259 0.192 1
1 329 . 16 1 1 A 33 33 PRO HA H 33 4.490 4.456 0.034 1
1 330 . 16 1 1 A 33 33 PRO CB C 33 32.425 31.739 0.686 1
1 339 . 16 1 1 A 33 33 PRO C C 33 177.612 177.460 0.152 1
1 340 . 16 1 1 A 34 34 GLN N N 34 116.032 116.623 -0.591 1
1 341 . 16 1 1 A 34 34 GLN H H 34 8.906 8.374 0.532 1
1 342 . 16 1 1 A 34 34 GLN CA C 34 56.080 57.541 -1.461 1
1 343 . 16 1 1 A 34 34 GLN HA H 34 4.559 4.226 0.333 1
1 344 . 16 1 1 A 34 34 GLN CB C 34 29.488 30.197 -0.709 1
1 353 . 16 1 1 A 34 34 GLN C C 34 176.811 175.818 0.993 1
1 354 . 16 1 1 A 35 35 GLU N N 35 120.585 117.243 3.342 1
1 355 . 16 1 1 A 35 35 GLU H H 35 7.905 7.793 0.112 1
1 356 . 16 1 1 A 35 35 GLU CA C 35 55.147 54.578 0.569 1
1 357 . 16 1 1 A 35 35 GLU HA H 35 5.370 4.835 0.535 1
1 358 . 16 1 1 A 35 35 GLU CB C 35 33.394 31.896 1.498 1
1 364 . 16 1 1 A 35 35 GLU C C 35 174.508 174.648 -0.140 1
1 365 . 16 1 1 A 36 36 LEU N N 36 122.127 124.518 -2.391 1
1 366 . 16 1 1 A 36 36 LEU H H 36 7.553 8.767 -1.214 1
1 367 . 16 1 1 A 36 36 LEU CA C 36 53.375 53.371 0.004 1
1 368 . 16 1 1 A 36 36 LEU HA H 36 4.415 5.041 -0.626 1
1 369 . 16 1 1 A 36 36 LEU CB C 36 45.685 45.598 0.087 1
1 382 . 16 1 1 A 36 36 LEU C C 36 173.533 175.113 -1.580 1
1 383 . 16 1 1 A 37 37 ALA N N 37 124.419 128.198 -3.779 1
1 384 . 16 1 1 A 37 37 ALA H H 37 7.813 8.673 -0.860 1
1 385 . 16 1 1 A 37 37 ALA CA C 37 51.854 51.038 0.816 1
1 386 . 16 1 1 A 37 37 ALA HA H 37 4.581 4.715 -0.134 1
1 387 . 16 1 1 A 37 37 ALA CB C 37 19.371 19.519 -0.148 1
1 391 . 16 1 1 A 37 37 ALA C C 37 177.822 177.136 0.686 1
1 392 . 16 1 1 A 38 38 LEU N N 38 116.787 123.989 -7.202 1
1 393 . 16 1 1 A 38 38 LEU H H 38 8.656 8.661 -0.005 1
1 394 . 16 1 1 A 38 38 LEU CA C 38 52.952 55.499 -2.547 1
1 395 . 16 1 1 A 38 38 LEU HA H 38 5.026 4.210 0.816 1
1 396 . 16 1 1 A 38 38 LEU CB C 38 45.223 42.525 2.698 1
1 409 . 16 1 1 A 38 38 LEU C C 38 177.842 176.388 1.454 1
1 410 . 16 1 1 A 39 39 ARG N N 39 123.462 122.360 1.102 1
1 411 . 16 1 1 A 39 39 ARG H H 39 8.333 8.914 -0.581 1
1 412 . 16 1 1 A 39 39 ARG CA C 39 53.731 54.255 -0.524 1
1 413 . 16 1 1 A 39 39 ARG HA H 39 4.977 5.201 -0.224 1
1 414 . 16 1 1 A 39 39 ARG CB C 39 32.431 34.037 -1.606 1
1 423 . 16 1 1 A 39 39 ARG C C 39 174.595 175.245 -0.650 1
1 424 . 16 1 1 A 40 40 ARG N N 40 123.974 126.984 -3.010 1
1 425 . 16 1 1 A 40 40 ARG H H 40 8.899 8.720 0.179 1
1 426 . 16 1 1 A 40 40 ARG CA C 40 58.302 57.839 0.463 1
1 427 . 16 1 1 A 40 40 ARG HA H 40 3.350 4.017 -0.667 1
1 428 . 16 1 1 A 40 40 ARG CB C 40 30.480 30.103 0.377 1
1 437 . 16 1 1 A 40 40 ARG C C 40 176.432 177.049 -0.617 1
1 438 . 16 1 1 A 41 41 ASN N N 41 117.655 119.223 -1.568 1
1 439 . 16 1 1 A 41 41 ASN H H 41 9.246 8.840 0.406 1
1 440 . 16 1 1 A 41 41 ASN CA C 41 55.859 54.410 1.449 1
1 441 . 16 1 1 A 41 41 ASN HA H 41 4.227 4.325 -0.098 1
1 442 . 16 1 1 A 41 41 ASN CB C 41 37.555 37.227 0.328 1
1 448 . 16 1 1 A 41 41 ASN C C 41 174.318 173.969 0.349 1
1 449 . 16 1 1 A 42 42 GLU N N 42 122.758 117.199 5.559 1
1 450 . 16 1 1 A 42 42 GLU H H 42 8.419 7.754 0.665 1
1 451 . 16 1 1 A 42 42 GLU CA C 42 56.625 55.116 1.509 1
1 452 . 16 1 1 A 42 42 GLU HA H 42 4.445 4.799 -0.354 1
1 453 . 16 1 1 A 42 42 GLU CB C 42 29.887 32.325 -2.438 1
1 459 . 16 1 1 A 42 42 GLU C C 42 173.885 175.141 -1.256 1
1 460 . 16 1 1 A 43 43 GLU N N 43 119.431 123.120 -3.689 1
1 461 . 16 1 1 A 43 43 GLU H H 43 7.901 8.680 -0.779 1
1 462 . 16 1 1 A 43 43 GLU CA C 43 54.997 56.225 -1.228 1
1 463 . 16 1 1 A 43 43 GLU HA H 43 5.106 4.857 0.249 1
1 464 . 16 1 1 A 43 43 GLU CB C 43 32.392 31.243 1.149 1
1 470 . 16 1 1 A 43 43 GLU C C 43 175.285 175.432 -0.147 1
1 471 . 16 1 1 A 44 44 TYR N N 44 118.011 118.894 -0.883 1
1 472 . 16 1 1 A 44 44 TYR H H 44 9.196 8.663 0.533 1
1 473 . 16 1 1 A 44 44 TYR CA C 44 56.847 56.326 0.521 1
1 474 . 16 1 1 A 44 44 TYR HA H 44 4.708 4.723 -0.015 1
1 475 . 16 1 1 A 44 44 TYR CB C 44 42.218 42.395 -0.177 1
1 486 . 16 1 1 A 44 44 TYR C C 44 173.315 175.184 -1.869 1
1 487 . 16 1 1 A 45 45 CYS N N 45 120.674 122.446 -1.772 1
1 488 . 16 1 1 A 45 45 CYS H H 45 8.803 8.179 0.624 1
1 489 . 16 1 1 A 45 45 CYS CA C 45 57.318 59.148 -1.830 1
1 490 . 16 1 1 A 45 45 CYS HA H 45 4.425 4.392 0.033 1
1 491 . 16 1 1 A 45 45 CYS CB C 45 27.610 27.811 -0.201 1
1 494 . 16 1 1 A 45 45 CYS C C 45 174.817 174.172 0.645 1
1 495 . 16 1 1 A 46 46 LEU N N 46 129.242 126.510 2.732 1
1 496 . 16 1 1 A 46 46 LEU H H 46 8.803 8.505 0.298 1
1 497 . 16 1 1 A 46 46 LEU CA C 46 55.404 54.804 0.600 1
1 498 . 16 1 1 A 46 46 LEU HA H 46 4.224 4.465 -0.241 1
1 499 . 16 1 1 A 46 46 LEU CB C 46 42.929 42.018 0.911 1
1 512 . 16 1 1 A 46 46 LEU C C 46 174.895 175.777 -0.882 1
1 513 . 16 1 1 A 47 47 LEU N N 47 127.172 128.779 -1.607 1
1 514 . 16 1 1 A 47 47 LEU H H 47 8.780 8.897 -0.117 1
1 515 . 16 1 1 A 47 47 LEU CA C 47 55.322 57.048 -1.726 1
1 516 . 16 1 1 A 47 47 LEU HA H 47 4.478 4.229 0.249 1
1 517 . 16 1 1 A 47 47 LEU CB C 47 42.904 42.404 0.500 1
1 530 . 16 1 1 A 47 47 LEU C C 47 177.543 176.762 0.781 1
1 531 . 16 1 1 A 48 48 ASP N N 48 115.262 116.702 -1.440 1
1 532 . 16 1 1 A 48 48 ASP H H 48 7.516 7.559 -0.043 1
1 533 . 16 1 1 A 48 48 ASP CA C 48 54.649 53.110 1.539 1
1 534 . 16 1 1 A 48 48 ASP HA H 48 4.754 4.940 -0.186 1
1 535 . 16 1 1 A 48 48 ASP CB C 48 43.524 44.589 -1.065 1
1 538 . 16 1 1 A 48 48 ASP C C 48 175.044 175.021 0.023 1
1 539 . 16 1 1 A 49 49 SER N N 49 123.571 116.031 7.540 1
1 540 . 16 1 1 A 49 49 SER H H 49 8.911 8.368 0.543 1
1 541 . 16 1 1 A 49 49 SER CA C 49 56.641 57.024 -0.383 1
1 542 . 16 1 1 A 49 49 SER HA H 49 4.019 4.580 -0.561 1
1 543 . 16 1 1 A 49 49 SER CB C 49 62.018 62.339 -0.321 1
1 546 . 16 1 1 A 49 49 SER C C 49 173.953 175.652 -1.699 1
1 547 . 16 1 1 A 50 50 SER N N 50 118.555 117.428 1.127 1
1 548 . 16 1 1 A 50 50 SER H H 50 8.528 8.033 0.495 1
1 549 . 16 1 1 A 50 50 SER CA C 50 61.824 61.560 0.264 1
1 550 . 16 1 1 A 50 50 SER HA H 50 4.050 4.048 0.002 1
1 551 . 16 1 1 A 50 50 SER CB C 50 63.334 63.144 0.190 1
1 554 . 16 1 1 A 50 50 SER C C 50 175.507 174.438 1.069 1
1 555 . 16 1 1 A 51 51 GLU N N 51 123.653 118.980 4.673 1
1 556 . 16 1 1 A 51 51 GLU H H 51 8.756 8.298 0.458 1
1 557 . 16 1 1 A 51 51 GLU CA C 51 55.391 55.322 0.069 1
1 558 . 16 1 1 A 51 51 GLU HA H 51 4.690 4.596 0.094 1
1 559 . 16 1 1 A 51 51 GLU CB C 51 30.112 31.457 -1.345 1
1 565 . 16 1 1 A 51 51 GLU C C 51 176.574 176.236 0.338 1
1 566 . 16 1 1 A 52 52 ILE N N 52 117.495 121.544 -4.049 1
1 567 . 16 1 1 A 52 52 ILE H H 52 8.223 8.504 -0.281 1
1 568 . 16 1 1 A 52 52 ILE CA C 52 64.478 63.008 1.470 1
1 569 . 16 1 1 A 52 52 ILE HA H 52 3.946 4.314 -0.368 1
1 570 . 16 1 1 A 52 52 ILE CB C 52 38.365 38.535 -0.170 1
1 583 . 16 1 1 A 52 52 ILE C C 52 178.681 177.356 1.325 1
1 584 . 16 1 1 A 53 53 HIS N N 53 116.338 116.571 -0.233 1
1 585 . 16 1 1 A 53 53 HIS H H 53 8.529 7.518 1.011 1
1 586 . 16 1 1 A 53 53 HIS CA C 53 57.974 58.038 -0.064 1
1 587 . 16 1 1 A 53 53 HIS HA H 53 4.332 3.966 0.366 1
1 588 . 16 1 1 A 53 53 HIS CB C 53 31.646 30.123 1.523 1
1 595 . 16 1 1 A 53 53 HIS C C 53 175.678 174.304 1.374 1
1 596 . 16 1 1 A 54 54 TRP N N 54 120.664 117.576 3.088 1
1 597 . 16 1 1 A 54 54 TRP H H 54 7.298 7.639 -0.341 1
1 598 . 16 1 1 A 54 54 TRP CA C 54 55.972 55.536 0.436 1
1 599 . 16 1 1 A 54 54 TRP HA H 54 5.142 5.447 -0.305 1
1 600 . 16 1 1 A 54 54 TRP CB C 54 31.957 32.101 -0.144 1
1 615 . 16 1 1 A 54 54 TRP C C 54 174.289 175.429 -1.140 1
1 616 . 16 1 1 A 55 55 TRP N N 55 124.636 123.922 0.714 1
1 617 . 16 1 1 A 55 55 TRP H H 55 9.260 9.375 -0.115 1
1 618 . 16 1 1 A 55 55 TRP CA C 55 53.365 55.720 -2.355 1
1 619 . 16 1 1 A 55 55 TRP HA H 55 5.503 5.304 0.199 1
1 620 . 16 1 1 A 55 55 TRP CB C 55 32.591 32.488 0.103 1
1 635 . 16 1 1 A 55 55 TRP C C 55 174.620 175.476 -0.856 1
1 636 . 16 1 1 A 56 56 ARG N N 56 122.963 124.805 -1.842 1
1 637 . 16 1 1 A 56 56 ARG H H 56 8.876 9.041 -0.165 1
1 638 . 16 1 1 A 56 56 ARG CA C 56 55.250 55.435 -0.185 1
1 639 . 16 1 1 A 56 56 ARG HA H 56 4.716 4.931 -0.215 1
1 640 . 16 1 1 A 56 56 ARG CB C 56 32.705 31.519 1.186 1
1 651 . 16 1 1 A 56 56 ARG C C 56 175.777 175.986 -0.209 1
1 652 . 16 1 1 A 57 57 VAL N N 57 119.683 120.060 -0.377 1
1 653 . 16 1 1 A 57 57 VAL H H 57 8.784 8.505 0.279 1
1 654 . 16 1 1 A 57 57 VAL CA C 57 58.632 58.741 -0.109 1
1 655 . 16 1 1 A 57 57 VAL HA H 57 5.356 5.317 0.039 1
1 656 . 16 1 1 A 57 57 VAL CB C 57 36.354 36.047 0.307 1
1 666 . 16 1 1 A 57 57 VAL C C 57 172.758 173.569 -0.811 1
1 667 . 16 1 1 A 58 58 GLN N N 58 118.904 121.084 -2.180 1
1 668 . 16 1 1 A 58 58 GLN H H 58 8.911 8.655 0.256 1
1 669 . 16 1 1 A 58 58 GLN CA C 58 53.324 54.103 -0.779 1
1 670 . 16 1 1 A 58 58 GLN HA H 58 5.677 5.238 0.439 1
1 671 . 16 1 1 A 58 58 GLN CB C 58 35.149 32.416 2.733 1
1 680 . 16 1 1 A 58 58 GLN C C 58 175.711 174.707 1.004 1
1 681 . 16 1 1 A 59 59 ASP N N 59 125.232 125.750 -0.518 1
1 682 . 16 1 1 A 59 59 ASP H H 59 9.274 9.077 0.197 1
1 683 . 16 1 1 A 59 59 ASP CA C 59 52.577 53.721 -1.144 1
1 684 . 16 1 1 A 59 59 ASP HA H 59 5.257 4.659 0.598 1
1 685 . 16 1 1 A 59 59 ASP CB C 59 43.563 41.799 1.764 1
1 688 . 16 1 1 A 59 59 ASP C C 59 178.615 177.471 1.144 1
1 689 . 16 1 1 A 60 60 ARG N N 60 117.439 123.134 -5.695 1
1 690 . 16 1 1 A 60 60 ARG H H 60 9.177 8.777 0.400 1
1 691 . 16 1 1 A 60 60 ARG CA C 60 57.908 57.941 -0.033 1
1 692 . 16 1 1 A 60 60 ARG HA H 60 3.987 4.025 -0.038 1
1 693 . 16 1 1 A 60 60 ARG CB C 60 29.590 29.346 0.244 1
1 702 . 16 1 1 A 60 60 ARG C C 60 176.395 176.446 -0.051 1
1 703 . 16 1 1 A 61 61 ASN N N 61 117.081 115.763 1.318 1
1 704 . 16 1 1 A 61 61 ASN H H 61 8.294 7.438 0.856 1
1 705 . 16 1 1 A 61 61 ASN CA C 61 53.024 53.178 -0.154 1
1 706 . 16 1 1 A 61 61 ASN HA H 61 4.852 4.740 0.112 1
1 707 . 16 1 1 A 61 61 ASN CB C 61 39.662 40.493 -0.831 1
1 713 . 16 1 1 A 61 61 ASN C C 61 175.197 175.293 -0.096 1
1 714 . 16 1 1 A 62 62 GLY N N 62 107.804 105.517 2.287 1
1 715 . 16 1 1 A 62 62 GLY H H 62 8.195 7.488 0.707 1
1 716 . 16 1 1 A 62 62 GLY CA C 62 45.423 45.154 0.269 1
1 717 . 16 1 1 A 62 62 GLY HA2 H 62 3.551 4.043 -0.492 1
1 718 . 16 1 1 A 62 62 GLY HA3 H 62 4.225 4.069 0.156 1
1 719 . 16 1 1 A 62 62 GLY C C 62 174.475 174.096 0.379 1
1 720 . 16 1 1 A 63 63 HIS N N 63 122.780 117.757 5.023 1
1 721 . 16 1 1 A 63 63 HIS H H 63 8.615 7.768 0.847 1
1 722 . 16 1 1 A 63 63 HIS CA C 63 55.653 54.841 0.812 1
1 723 . 16 1 1 A 63 63 HIS HA H 63 4.784 4.921 -0.137 1
1 724 . 16 1 1 A 63 63 HIS CB C 63 29.357 32.537 -3.180 1
1 731 . 16 1 1 A 63 63 HIS C C 63 173.926 174.317 -0.391 1
1 732 . 16 1 1 A 64 64 GLU N N 64 119.741 122.683 -2.942 1
1 733 . 16 1 1 A 64 64 GLU H H 64 8.681 8.765 -0.084 1
1 734 . 16 1 1 A 64 64 GLU CA C 64 53.989 55.003 -1.014 1
1 735 . 16 1 1 A 64 64 GLU HA H 64 5.835 5.569 0.266 1
1 736 . 16 1 1 A 64 64 GLU CB C 64 34.417 32.802 1.615 1
1 742 . 16 1 1 A 64 64 GLU C C 64 176.358 175.877 0.481 1
1 743 . 16 1 1 A 65 65 GLY N N 65 105.646 108.710 -3.064 1
1 744 . 16 1 1 A 65 65 GLY H H 65 8.399 8.284 0.115 1
1 745 . 16 1 1 A 65 65 GLY CA C 65 45.368 45.153 0.215 1
1 746 . 16 1 1 A 65 65 GLY HA2 H 65 3.959 3.975 -0.016 1
1 747 . 16 1 1 A 65 65 GLY HA3 H 65 3.835 4.128 -0.293 1
1 748 . 16 1 1 A 65 65 GLY C C 65 170.819 171.226 -0.407 1
1 749 . 16 1 1 A 66 66 TYR N N 66 119.001 119.954 -0.953 1
1 750 . 16 1 1 A 66 66 TYR H H 66 8.863 8.366 0.497 1
1 751 . 16 1 1 A 66 66 TYR CA C 66 59.140 58.305 0.835 1
1 752 . 16 1 1 A 66 66 TYR HA H 66 5.317 5.129 0.188 1
1 753 . 16 1 1 A 66 66 TYR CB C 66 40.974 38.961 2.013 1
1 764 . 16 1 1 A 66 66 TYR C C 66 176.158 176.198 -0.040 1
1 765 . 16 1 1 A 67 67 VAL N N 67 112.145 118.312 -6.167 1
1 766 . 16 1 1 A 67 67 VAL H H 67 9.180 8.742 0.438 1
1 767 . 16 1 1 A 67 67 VAL CA C 67 57.686 58.270 -0.584 1
1 768 . 16 1 1 A 67 67 VAL HA H 67 4.803 5.030 -0.227 1
1 769 . 16 1 1 A 67 67 VAL CB C 67 33.564 33.665 -0.101 1
1 779 . 16 1 1 A 67 67 VAL C C 67 172.139 173.615 -1.476 1
1 780 . 16 1 1 A 68 68 PRO CA C 68 61.422 62.462 -1.040 1
1 781 . 16 1 1 A 68 68 PRO HA H 68 3.745 4.645 -0.900 1
1 782 . 16 1 1 A 68 68 PRO CB C 68 30.557 31.068 -0.511 1
1 791 . 16 1 1 A 68 68 PRO C C 68 178.674 177.273 1.401 1
1 792 . 16 1 1 A 69 69 SER N N 69 122.331 121.189 1.142 1
1 793 . 16 1 1 A 69 69 SER H H 69 7.791 8.201 -0.410 1
1 794 . 16 1 1 A 69 69 SER CA C 69 60.162 61.085 -0.923 1
1 795 . 16 1 1 A 69 69 SER HA H 69 2.790 3.908 -1.118 1
1 796 . 16 1 1 A 69 69 SER CB C 69 60.021 61.770 -1.749 1
1 799 . 16 1 1 A 69 69 SER C C 69 176.238 176.077 0.161 1
1 800 . 16 1 1 A 70 70 SER N N 70 114.849 116.144 -1.295 1
1 801 . 16 1 1 A 70 70 SER H H 70 7.812 7.868 -0.056 1
1 802 . 16 1 1 A 70 70 SER CA C 70 59.590 62.309 -2.719 1
1 803 . 16 1 1 A 70 70 SER HA H 70 4.095 4.021 0.074 1
1 804 . 16 1 1 A 70 70 SER CB C 70 62.885 62.718 0.167 1
1 807 . 16 1 1 A 70 70 SER C C 70 175.286 176.572 -1.286 1
1 808 . 16 1 1 A 71 71 TYR N N 71 122.244 119.192 3.052 1
1 809 . 16 1 1 A 71 71 TYR H H 71 7.593 8.409 -0.816 1
1 810 . 16 1 1 A 71 71 TYR CA C 71 58.102 60.605 -2.503 1
1 811 . 16 1 1 A 71 71 TYR HA H 71 4.496 4.440 0.056 1
1 812 . 16 1 1 A 71 71 TYR CB C 71 37.631 38.861 -1.230 1
1 823 . 16 1 1 A 71 71 TYR C C 71 174.002 176.541 -2.539 1
1 824 . 16 1 1 A 72 72 LEU N N 72 119.079 119.350 -0.271 1
1 825 . 16 1 1 A 72 72 LEU H H 72 7.270 7.612 -0.342 1
1 826 . 16 1 1 A 72 72 LEU CA C 72 53.625 55.941 -2.316 1
1 827 . 16 1 1 A 72 72 LEU HA H 72 5.388 4.405 0.983 1
1 828 . 16 1 1 A 72 72 LEU CB C 72 46.623 42.201 4.422 1
1 841 . 16 1 1 A 72 72 LEU C C 72 175.893 176.366 -0.473 1
1 842 . 16 1 1 A 73 73 VAL N N 73 116.343 119.100 -2.757 1
1 843 . 16 1 1 A 73 73 VAL H H 73 8.610 9.055 -0.445 1
1 844 . 16 1 1 A 73 73 VAL CA C 73 59.707 59.405 0.302 1
1 845 . 16 1 1 A 73 73 VAL HA H 73 4.601 4.853 -0.252 1
1 846 . 16 1 1 A 73 73 VAL CB C 73 35.811 34.806 1.005 1
1 856 . 16 1 1 A 73 73 VAL C C 73 174.186 174.723 -0.537 1
1 857 . 16 1 1 A 74 74 GLU N N 74 124.925 125.760 -0.835 1
1 858 . 16 1 1 A 74 74 GLU H H 74 8.845 8.672 0.173 1
1 859 . 16 1 1 A 74 74 GLU CA C 74 57.745 57.190 0.555 1
1 860 . 16 1 1 A 74 74 GLU HA H 74 4.363 4.244 0.119 1
1 861 . 16 1 1 A 74 74 GLU CB C 74 30.164 30.330 -0.166 1
1 867 . 16 1 1 A 74 74 GLU C C 74 176.322 176.147 0.175 1
1 868 . 16 1 1 A 75 75 LYS N N 75 125.959 129.811 -3.852 1
1 869 . 16 1 1 A 75 75 LYS H H 75 8.556 9.044 -0.488 1
1 870 . 16 1 1 A 75 75 LYS CA C 75 57.115 57.039 0.076 1
1 871 . 16 1 1 A 75 75 LYS HA H 75 4.157 4.439 -0.282 1
1 872 . 16 1 1 A 75 75 LYS CB C 75 33.626 32.764 0.862 1
1 884 . 16 1 1 A 75 75 LYS C C 75 175.944 175.902 0.042 1
1 885 . 16 1 1 A 76 76 SER N N 76 121.519 120.277 1.242 1
1 886 . 16 1 1 A 76 76 SER H H 76 8.576 8.517 0.059 1
1 887 . 16 1 1 A 76 76 SER CA C 76 56.205 55.561 0.644 1
1 888 . 16 1 1 A 76 76 SER HA H 76 4.809 4.789 0.020 1
1 889 . 16 1 1 A 76 76 SER CB C 76 63.582 65.024 -1.442 1
1 891 . 16 1 1 A 76 76 SER C C 76 172.875 174.174 -1.299 1
1 892 . 16 1 1 A 77 77 PRO CA C 77 63.453 64.166 -0.713 1
1 893 . 16 1 1 A 77 77 PRO HA H 77 4.434 4.460 -0.026 1
1 894 . 16 1 1 A 77 77 PRO CB C 77 32.104 32.187 -0.083 1
1 903 . 16 1 1 A 77 77 PRO C C 77 176.734 175.757 0.977 1
1 904 . 16 1 1 A 78 78 ASN N N 78 118.087 110.941 7.146 1
1 905 . 16 1 1 A 78 78 ASN H H 78 8.434 7.448 0.986 1
1 906 . 16 1 1 A 78 78 ASN CA C 78 53.314 51.919 1.395 1
1 907 . 16 1 1 A 78 78 ASN HA H 78 4.653 5.100 -0.447 1
1 908 . 16 1 1 A 78 78 ASN CB C 78 38.823 41.914 -3.091 1
1 914 . 16 1 1 A 78 78 ASN C C 78 174.985 174.048 0.937 1
1 915 . 16 1 1 A 79 79 ASN N N 79 119.198 121.309 -2.111 1
1 916 . 16 1 1 A 79 79 ASN H H 79 8.312 8.738 -0.426 1
1 917 . 16 1 1 A 79 79 ASN CA C 79 53.379 54.123 -0.744 1
1 918 . 16 1 1 A 79 79 ASN HA H 79 4.696 4.612 0.084 1
1 919 . 16 1 1 A 79 79 ASN CB C 79 38.827 38.685 0.142 1
1 925 . 16 1 1 A 79 79 ASN C C 79 175.132 175.792 -0.660 1
1 926 . 16 1 1 A 80 80 LEU N N 80 122.154 121.479 0.675 1
1 927 . 16 1 1 A 80 80 LEU H H 80 8.195 8.439 -0.244 1
1 928 . 16 1 1 A 80 80 LEU CA C 80 55.523 55.012 0.511 1
1 929 . 16 1 1 A 80 80 LEU HA H 80 4.305 4.162 0.143 1
1 930 . 16 1 1 A 80 80 LEU CB C 80 42.304 42.930 -0.626 1
1 943 . 16 1 1 A 80 80 LEU C C 80 177.461 176.465 0.996 1
1 944 . 16 1 1 A 81 81 GLU N N 81 121.156 120.144 1.012 1
1 945 . 16 1 1 A 81 81 GLU H H 81 8.341 8.686 -0.345 1
1 946 . 16 1 1 A 81 81 GLU CA C 81 56.665 55.631 1.034 1
1 947 . 16 1 1 A 81 81 GLU HA H 81 4.253 4.980 -0.727 1
1 948 . 16 1 1 A 81 81 GLU CB C 81 30.219 30.886 -0.667 1
1 954 . 16 1 1 A 81 81 GLU C C 81 176.365 174.840 1.525 1
1 955 . 16 1 1 A 82 82 THR N N 82 114.319 113.998 0.321 1
1 956 . 16 1 1 A 82 82 THR H H 82 7.970 8.453 -0.483 1
1 957 . 16 1 1 A 82 82 THR CA C 82 61.517 60.495 1.022 1
1 958 . 16 1 1 A 82 82 THR HA H 82 4.211 5.236 -1.025 1
1 959 . 16 1 1 A 82 82 THR CB C 82 69.881 70.860 -0.979 1
1 965 . 16 1 1 A 82 82 THR C C 82 173.812 172.888 0.924 1
1 966 . 16 1 1 A 83 83 TYR N N 83 122.614 124.152 -1.538 1
1 967 . 16 1 1 A 83 83 TYR H H 83 8.076 9.139 -1.063 1
1 968 . 16 1 1 A 83 83 TYR CA C 83 57.640 56.139 1.501 1
1 969 . 16 1 1 A 83 83 TYR HA H 83 4.444 5.190 -0.746 1
1 970 . 16 1 1 A 83 83 TYR CB C 83 38.964 42.209 -3.245 1
1 981 . 16 1 1 A 83 83 TYR C C 83 175.115 174.418 0.697 1
1 982 . 16 1 1 A 84 84 GLU N N 84 122.790 124.600 -1.810 1
1 983 . 16 1 1 A 84 84 GLU H H 84 7.995 9.057 -1.062 1
1 984 . 16 1 1 A 84 84 GLU CA C 84 56.097 54.868 1.229 1
1 985 . 16 1 1 A 84 84 GLU HA H 84 4.227 4.772 -0.545 1
1 986 . 16 1 1 A 84 84 GLU CB C 84 30.506 30.464 0.042 1
1 992 . 16 1 1 A 84 84 GLU C C 84 174.707 176.123 -1.416 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.365 45.243 0.122 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.970 4.023 -0.053 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.824 4.023 -0.199 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.351 172.669 1.682 1
1 5 . 17 1 1 A 8 8 GLU N N 8 120.458 123.378 -2.920 1
1 6 . 17 1 1 A 8 8 GLU H H 8 8.288 8.606 -0.318 1
1 7 . 17 1 1 A 8 8 GLU CA C 8 56.663 55.745 0.918 1
1 8 . 17 1 1 A 8 8 GLU HA H 8 4.254 4.855 -0.601 1
1 9 . 17 1 1 A 8 8 GLU CB C 8 30.248 33.581 -3.333 1
1 15 . 17 1 1 A 8 8 GLU C C 8 176.364 173.983 2.381 1
1 16 . 17 1 1 A 9 9 ASP N N 9 120.849 126.771 -5.922 1
1 17 . 17 1 1 A 9 9 ASP H H 9 8.379 8.825 -0.446 1
1 18 . 17 1 1 A 9 9 ASP CA C 9 54.402 53.338 1.064 1
1 19 . 17 1 1 A 9 9 ASP HA H 9 4.543 5.347 -0.804 1
1 20 . 17 1 1 A 9 9 ASP CB C 9 41.035 42.942 -1.907 1
1 23 . 17 1 1 A 9 9 ASP C C 9 176.003 175.545 0.458 1
1 24 . 17 1 1 A 10 10 ASN N N 10 119.270 116.144 3.126 1
1 25 . 17 1 1 A 10 10 ASN H H 10 8.303 8.897 -0.594 1
1 26 . 17 1 1 A 10 10 ASN CA C 10 53.233 51.223 2.010 1
1 27 . 17 1 1 A 10 10 ASN HA H 10 4.654 5.303 -0.649 1
1 28 . 17 1 1 A 10 10 ASN CB C 10 38.832 42.593 -3.761 1
1 34 . 17 1 1 A 10 10 ASN C C 10 175.079 173.762 1.317 1
1 35 . 17 1 1 A 11 11 ARG N N 11 120.795 120.848 -0.053 1
1 36 . 17 1 1 A 11 11 ARG H H 11 8.132 8.255 -0.123 1
1 37 . 17 1 1 A 11 11 ARG CA C 11 56.092 55.930 0.162 1
1 38 . 17 1 1 A 11 11 ARG HA H 11 4.257 4.495 -0.238 1
1 39 . 17 1 1 A 11 11 ARG CB C 11 30.721 31.400 -0.679 1
1 48 . 17 1 1 A 11 11 ARG C C 11 176.045 176.589 -0.544 1
1 49 . 17 1 1 A 12 12 ARG N N 12 123.167 122.440 0.727 1
1 50 . 17 1 1 A 12 12 ARG H H 12 8.222 8.417 -0.195 1
1 51 . 17 1 1 A 12 12 ARG CA C 12 53.918 54.515 -0.597 1
1 52 . 17 1 1 A 12 12 ARG HA H 12 4.506 4.496 0.010 1
1 53 . 17 1 1 A 12 12 ARG CB C 12 29.923 29.409 0.514 1
1 62 . 17 1 1 A 12 12 ARG C C 12 174.073 174.286 -0.213 1
1 63 . 17 1 1 A 13 13 PRO CA C 13 62.815 62.605 0.210 1
1 64 . 17 1 1 A 13 13 PRO HA H 13 4.255 4.493 -0.238 1
1 65 . 17 1 1 A 13 13 PRO CB C 13 31.903 32.554 -0.651 1
1 74 . 17 1 1 A 13 13 PRO C C 13 176.315 176.938 -0.623 1
1 75 . 17 1 1 A 14 14 LEU N N 14 122.009 119.803 2.206 1
1 76 . 17 1 1 A 14 14 LEU H H 14 8.090 8.690 -0.600 1
1 77 . 17 1 1 A 14 14 LEU CA C 14 55.286 57.205 -1.919 1
1 78 . 17 1 1 A 14 14 LEU HA H 14 4.065 4.011 0.054 1
1 79 . 17 1 1 A 14 14 LEU CB C 14 42.258 42.696 -0.438 1
1 92 . 17 1 1 A 14 14 LEU C C 14 176.610 176.573 0.037 1
1 93 . 17 1 1 A 15 15 TRP N N 15 120.219 117.509 2.710 1
1 94 . 17 1 1 A 15 15 TRP H H 15 7.582 7.707 -0.125 1
1 95 . 17 1 1 A 15 15 TRP CA C 15 56.114 56.775 -0.661 1
1 96 . 17 1 1 A 15 15 TRP HA H 15 4.803 4.948 -0.145 1
1 97 . 17 1 1 A 15 15 TRP CB C 15 29.845 31.590 -1.745 1
1 112 . 17 1 1 A 15 15 TRP C C 15 176.093 175.884 0.209 1
1 113 . 17 1 1 A 16 16 GLU N N 16 124.270 119.794 4.476 1
1 114 . 17 1 1 A 16 16 GLU H H 16 8.901 8.772 0.129 1
1 115 . 17 1 1 A 16 16 GLU CA C 16 54.729 53.570 1.159 1
1 116 . 17 1 1 A 16 16 GLU HA H 16 4.471 4.840 -0.369 1
1 117 . 17 1 1 A 16 16 GLU CB C 16 29.173 30.579 -1.406 1
1 123 . 17 1 1 A 16 16 GLU C C 16 175.525 176.421 -0.896 1
1 124 . 17 1 1 A 17 17 PRO CA C 17 64.535 65.197 -0.662 1
1 125 . 17 1 1 A 17 17 PRO HA H 17 4.306 4.341 -0.035 1
1 126 . 17 1 1 A 17 17 PRO CB C 17 32.105 31.975 0.130 1
1 135 . 17 1 1 A 17 17 PRO C C 17 177.261 178.659 -1.398 1
1 136 . 17 1 1 A 18 18 GLU N N 18 116.089 116.156 -0.067 1
1 137 . 17 1 1 A 18 18 GLU H H 18 8.459 8.822 -0.363 1
1 138 . 17 1 1 A 18 18 GLU CA C 18 57.215 59.053 -1.838 1
1 139 . 17 1 1 A 18 18 GLU HA H 18 4.203 4.112 0.091 1
1 140 . 17 1 1 A 18 18 GLU CB C 18 29.321 28.853 0.468 1
1 146 . 17 1 1 A 18 18 GLU C C 18 176.941 177.068 -0.127 1
1 147 . 17 1 1 A 19 19 GLU N N 19 120.173 120.391 -0.218 1
1 148 . 17 1 1 A 19 19 GLU H H 19 7.861 7.867 -0.006 1
1 149 . 17 1 1 A 19 19 GLU CA C 19 56.170 56.155 0.015 1
1 150 . 17 1 1 A 19 19 GLU HA H 19 4.257 4.376 -0.119 1
1 151 . 17 1 1 A 19 19 GLU CB C 19 30.012 30.037 -0.025 1
1 157 . 17 1 1 A 19 19 GLU C C 19 176.182 176.215 -0.033 1
1 158 . 17 1 1 A 20 20 THR N N 20 120.847 118.709 2.138 1
1 159 . 17 1 1 A 20 20 THR H H 20 9.010 8.704 0.306 1
1 160 . 17 1 1 A 20 20 THR CA C 20 63.200 63.131 0.069 1
1 161 . 17 1 1 A 20 20 THR HA H 20 4.188 4.404 -0.216 1
1 162 . 17 1 1 A 20 20 THR CB C 20 69.394 68.698 0.696 1
1 168 . 17 1 1 A 20 20 THR C C 20 172.501 173.806 -1.305 1
1 169 . 17 1 1 A 21 21 VAL N N 21 128.753 128.338 0.415 1
1 170 . 17 1 1 A 21 21 VAL H H 21 8.497 8.796 -0.299 1
1 171 . 17 1 1 A 21 21 VAL CA C 21 61.422 60.702 0.720 1
1 172 . 17 1 1 A 21 21 VAL HA H 21 4.546 4.496 0.050 1
1 173 . 17 1 1 A 21 21 VAL CB C 21 33.236 34.042 -0.806 1
1 183 . 17 1 1 A 21 21 VAL C C 21 175.700 175.491 0.209 1
1 184 . 17 1 1 A 22 22 VAL N N 22 119.061 121.177 -2.116 1
1 185 . 17 1 1 A 22 22 VAL H H 22 9.159 8.788 0.371 1
1 186 . 17 1 1 A 22 22 VAL CA C 22 57.799 59.352 -1.553 1
1 187 . 17 1 1 A 22 22 VAL HA H 22 5.187 5.428 -0.241 1
1 188 . 17 1 1 A 22 22 VAL CB C 22 35.307 35.482 -0.175 1
1 198 . 17 1 1 A 22 22 VAL C C 22 173.461 174.647 -1.186 1
1 199 . 17 1 1 A 23 23 ILE N N 23 120.660 121.521 -0.861 1
1 200 . 17 1 1 A 23 23 ILE H H 23 9.354 8.548 0.806 1
1 201 . 17 1 1 A 23 23 ILE CA C 23 58.793 59.788 -0.995 1
1 202 . 17 1 1 A 23 23 ILE HA H 23 5.082 4.980 0.102 1
1 203 . 17 1 1 A 23 23 ILE CB C 23 41.289 42.152 -0.863 1
1 216 . 17 1 1 A 23 23 ILE C C 23 176.270 174.352 1.918 1
1 217 . 17 1 1 A 24 24 ALA N N 24 125.421 128.501 -3.080 1
1 218 . 17 1 1 A 24 24 ALA H H 24 8.184 8.576 -0.392 1
1 219 . 17 1 1 A 24 24 ALA CA C 24 51.461 51.624 -0.163 1
1 220 . 17 1 1 A 24 24 ALA HA H 24 4.982 4.692 0.290 1
1 221 . 17 1 1 A 24 24 ALA CB C 24 20.231 19.416 0.815 1
1 225 . 17 1 1 A 24 24 ALA C C 24 178.664 177.584 1.080 1
1 226 . 17 1 1 A 25 25 LEU N N 25 126.185 125.448 0.737 1
1 227 . 17 1 1 A 25 25 LEU H H 25 9.388 8.880 0.508 1
1 228 . 17 1 1 A 25 25 LEU CA C 25 55.799 55.990 -0.191 1
1 229 . 17 1 1 A 25 25 LEU HA H 25 3.875 4.030 -0.155 1
1 230 . 17 1 1 A 25 25 LEU CB C 25 43.786 42.298 1.488 1
1 243 . 17 1 1 A 25 25 LEU C C 25 175.686 176.644 -0.958 1
1 244 . 17 1 1 A 26 26 TYR N N 26 110.488 115.252 -4.764 1
1 245 . 17 1 1 A 26 26 TYR H H 26 6.878 7.635 -0.757 1
1 246 . 17 1 1 A 26 26 TYR CA C 26 53.575 56.531 -2.956 1
1 247 . 17 1 1 A 26 26 TYR HA H 26 4.744 5.203 -0.459 1
1 248 . 17 1 1 A 26 26 TYR CB C 26 42.393 42.510 -0.117 1
1 259 . 17 1 1 A 26 26 TYR C C 26 173.800 175.344 -1.544 1
1 260 . 17 1 1 A 27 27 ASP N N 27 117.327 122.571 -5.244 1
1 261 . 17 1 1 A 27 27 ASP H H 27 8.278 8.845 -0.567 1
1 262 . 17 1 1 A 27 27 ASP CA C 27 54.522 54.817 -0.295 1
1 263 . 17 1 1 A 27 27 ASP HA H 27 4.639 5.152 -0.513 1
1 264 . 17 1 1 A 27 27 ASP CB C 27 41.944 41.539 0.405 1
1 267 . 17 1 1 A 27 27 ASP C C 27 176.000 174.962 1.038 1
1 268 . 17 1 1 A 28 28 TYR N N 28 121.747 126.156 -4.409 1
1 269 . 17 1 1 A 28 28 TYR H H 28 8.724 9.111 -0.387 1
1 270 . 17 1 1 A 28 28 TYR CA C 28 57.938 57.267 0.671 1
1 271 . 17 1 1 A 28 28 TYR HA H 28 4.934 5.216 -0.282 1
1 272 . 17 1 1 A 28 28 TYR CB C 28 42.161 41.480 0.681 1
1 283 . 17 1 1 A 28 28 TYR C C 28 173.834 174.554 -0.720 1
1 284 . 17 1 1 A 29 29 GLN N N 29 126.180 125.630 0.550 1
1 285 . 17 1 1 A 29 29 GLN H H 29 7.959 8.067 -0.108 1
1 286 . 17 1 1 A 29 29 GLN CA C 29 54.153 53.854 0.299 1
1 287 . 17 1 1 A 29 29 GLN HA H 29 4.507 4.911 -0.404 1
1 288 . 17 1 1 A 29 29 GLN CB C 29 29.854 32.023 -2.169 1
1 297 . 17 1 1 A 29 29 GLN C C 29 173.966 173.999 -0.033 1
1 298 . 17 1 1 A 30 30 THR N N 30 115.009 113.767 1.242 1
1 299 . 17 1 1 A 30 30 THR H H 30 7.982 8.378 -0.396 1
1 300 . 17 1 1 A 30 30 THR CA C 30 59.769 59.987 -0.218 1
1 301 . 17 1 1 A 30 30 THR HA H 30 4.319 4.885 -0.566 1
1 302 . 17 1 1 A 30 30 THR CB C 30 69.002 70.631 -1.629 1
1 308 . 17 1 1 A 30 30 THR C C 30 172.388 173.895 -1.507 1
1 309 . 17 1 1 A 31 31 ASN N N 31 121.715 123.119 -1.404 1
1 310 . 17 1 1 A 31 31 ASN H H 31 8.702 8.888 -0.186 1
1 311 . 17 1 1 A 31 31 ASN CA C 31 52.449 55.174 -2.725 1
1 312 . 17 1 1 A 31 31 ASN HA H 31 4.787 4.618 0.169 1
1 313 . 17 1 1 A 31 31 ASN CB C 31 39.822 39.450 0.372 1
1 319 . 17 1 1 A 31 31 ASN C C 31 174.579 174.767 -0.188 1
1 320 . 17 1 1 A 32 32 ASP N N 32 124.854 119.398 5.456 1
1 321 . 17 1 1 A 32 32 ASP H H 32 8.333 7.258 1.075 1
1 322 . 17 1 1 A 32 32 ASP CA C 32 51.996 52.522 -0.526 1
1 323 . 17 1 1 A 32 32 ASP HA H 32 4.827 4.793 0.034 1
1 324 . 17 1 1 A 32 32 ASP CB C 32 43.075 40.457 2.618 1
1 327 . 17 1 1 A 32 32 ASP C C 32 176.135 175.762 0.373 1
1 328 . 17 1 1 A 33 33 PRO CA C 33 64.451 65.068 -0.617 1
1 329 . 17 1 1 A 33 33 PRO HA H 33 4.490 4.309 0.181 1
1 330 . 17 1 1 A 33 33 PRO CB C 33 32.425 31.882 0.543 1
1 339 . 17 1 1 A 33 33 PRO C C 33 177.612 178.859 -1.247 1
1 340 . 17 1 1 A 34 34 GLN N N 34 116.032 117.330 -1.298 1
1 341 . 17 1 1 A 34 34 GLN H H 34 8.906 8.786 0.120 1
1 342 . 17 1 1 A 34 34 GLN CA C 34 56.080 59.387 -3.307 1
1 343 . 17 1 1 A 34 34 GLN HA H 34 4.559 4.080 0.479 1
1 344 . 17 1 1 A 34 34 GLN CB C 34 29.488 28.340 1.148 1
1 353 . 17 1 1 A 34 34 GLN C C 34 176.811 176.992 -0.181 1
1 354 . 17 1 1 A 35 35 GLU N N 35 120.585 117.411 3.174 1
1 355 . 17 1 1 A 35 35 GLU H H 35 7.905 7.856 0.049 1
1 356 . 17 1 1 A 35 35 GLU CA C 35 55.147 56.178 -1.031 1
1 357 . 17 1 1 A 35 35 GLU HA H 35 5.370 4.516 0.854 1
1 358 . 17 1 1 A 35 35 GLU CB C 35 33.394 30.195 3.199 1
1 364 . 17 1 1 A 35 35 GLU C C 35 174.508 175.569 -1.061 1
1 365 . 17 1 1 A 36 36 LEU N N 36 122.127 126.508 -4.381 1
1 366 . 17 1 1 A 36 36 LEU H H 36 7.553 8.752 -1.199 1
1 367 . 17 1 1 A 36 36 LEU CA C 36 53.375 53.719 -0.344 1
1 368 . 17 1 1 A 36 36 LEU HA H 36 4.415 4.940 -0.525 1
1 369 . 17 1 1 A 36 36 LEU CB C 36 45.685 44.586 1.099 1
1 382 . 17 1 1 A 36 36 LEU C C 36 173.533 175.622 -2.089 1
1 383 . 17 1 1 A 37 37 ALA N N 37 124.419 128.733 -4.314 1
1 384 . 17 1 1 A 37 37 ALA H H 37 7.813 8.797 -0.984 1
1 385 . 17 1 1 A 37 37 ALA CA C 37 51.854 51.066 0.788 1
1 386 . 17 1 1 A 37 37 ALA HA H 37 4.581 4.936 -0.355 1
1 387 . 17 1 1 A 37 37 ALA CB C 37 19.371 19.496 -0.125 1
1 391 . 17 1 1 A 37 37 ALA C C 37 177.822 177.418 0.404 1
1 392 . 17 1 1 A 38 38 LEU N N 38 116.787 124.297 -7.510 1
1 393 . 17 1 1 A 38 38 LEU H H 38 8.656 8.684 -0.028 1
1 394 . 17 1 1 A 38 38 LEU CA C 38 52.952 55.340 -2.388 1
1 395 . 17 1 1 A 38 38 LEU HA H 38 5.026 4.174 0.852 1
1 396 . 17 1 1 A 38 38 LEU CB C 38 45.223 42.505 2.718 1
1 409 . 17 1 1 A 38 38 LEU C C 38 177.842 176.713 1.129 1
1 410 . 17 1 1 A 39 39 ARG N N 39 123.462 121.927 1.535 1
1 411 . 17 1 1 A 39 39 ARG H H 39 8.333 8.843 -0.510 1
1 412 . 17 1 1 A 39 39 ARG CA C 39 53.731 54.352 -0.621 1
1 413 . 17 1 1 A 39 39 ARG HA H 39 4.977 5.241 -0.264 1
1 414 . 17 1 1 A 39 39 ARG CB C 39 32.431 34.090 -1.659 1
1 423 . 17 1 1 A 39 39 ARG C C 39 174.595 175.208 -0.613 1
1 424 . 17 1 1 A 40 40 ARG N N 40 123.974 127.529 -3.555 1
1 425 . 17 1 1 A 40 40 ARG H H 40 8.899 8.728 0.171 1
1 426 . 17 1 1 A 40 40 ARG CA C 40 58.302 57.853 0.449 1
1 427 . 17 1 1 A 40 40 ARG HA H 40 3.350 3.998 -0.648 1
1 428 . 17 1 1 A 40 40 ARG CB C 40 30.480 30.071 0.409 1
1 437 . 17 1 1 A 40 40 ARG C C 40 176.432 177.008 -0.576 1
1 438 . 17 1 1 A 41 41 ASN N N 41 117.655 119.422 -1.767 1
1 439 . 17 1 1 A 41 41 ASN H H 41 9.246 8.711 0.535 1
1 440 . 17 1 1 A 41 41 ASN CA C 41 55.859 54.422 1.437 1
1 441 . 17 1 1 A 41 41 ASN HA H 41 4.227 4.286 -0.059 1
1 442 . 17 1 1 A 41 41 ASN CB C 41 37.555 36.979 0.576 1
1 448 . 17 1 1 A 41 41 ASN C C 41 174.318 173.930 0.388 1
1 449 . 17 1 1 A 42 42 GLU N N 42 122.758 117.414 5.344 1
1 450 . 17 1 1 A 42 42 GLU H H 42 8.419 7.772 0.647 1
1 451 . 17 1 1 A 42 42 GLU CA C 42 56.625 55.139 1.486 1
1 452 . 17 1 1 A 42 42 GLU HA H 42 4.445 4.783 -0.338 1
1 453 . 17 1 1 A 42 42 GLU CB C 42 29.887 33.318 -3.431 1
1 459 . 17 1 1 A 42 42 GLU C C 42 173.885 175.349 -1.464 1
1 460 . 17 1 1 A 43 43 GLU N N 43 119.431 123.648 -4.217 1
1 461 . 17 1 1 A 43 43 GLU H H 43 7.901 8.821 -0.920 1
1 462 . 17 1 1 A 43 43 GLU CA C 43 54.997 56.588 -1.591 1
1 463 . 17 1 1 A 43 43 GLU HA H 43 5.106 5.092 0.014 1
1 464 . 17 1 1 A 43 43 GLU CB C 43 32.392 31.245 1.147 1
1 470 . 17 1 1 A 43 43 GLU C C 43 175.285 175.555 -0.270 1
1 471 . 17 1 1 A 44 44 TYR N N 44 118.011 118.540 -0.529 1
1 472 . 17 1 1 A 44 44 TYR H H 44 9.196 8.742 0.454 1
1 473 . 17 1 1 A 44 44 TYR CA C 44 56.847 56.330 0.517 1
1 474 . 17 1 1 A 44 44 TYR HA H 44 4.708 4.768 -0.060 1
1 475 . 17 1 1 A 44 44 TYR CB C 44 42.218 42.384 -0.166 1
1 486 . 17 1 1 A 44 44 TYR C C 44 173.315 174.613 -1.298 1
1 487 . 17 1 1 A 45 45 CYS N N 45 120.674 122.918 -2.244 1
1 488 . 17 1 1 A 45 45 CYS H H 45 8.803 8.359 0.444 1
1 489 . 17 1 1 A 45 45 CYS CA C 45 57.318 58.241 -0.923 1
1 490 . 17 1 1 A 45 45 CYS HA H 45 4.425 4.524 -0.099 1
1 491 . 17 1 1 A 45 45 CYS CB C 45 27.610 27.131 0.479 1
1 494 . 17 1 1 A 45 45 CYS C C 45 174.817 174.499 0.318 1
1 495 . 17 1 1 A 46 46 LEU N N 46 129.242 127.176 2.066 1
1 496 . 17 1 1 A 46 46 LEU H H 46 8.803 8.018 0.785 1
1 497 . 17 1 1 A 46 46 LEU CA C 46 55.404 55.948 -0.544 1
1 498 . 17 1 1 A 46 46 LEU HA H 46 4.224 4.327 -0.103 1
1 499 . 17 1 1 A 46 46 LEU CB C 46 42.929 42.446 0.483 1
1 512 . 17 1 1 A 46 46 LEU C C 46 174.895 175.942 -1.047 1
1 513 . 17 1 1 A 47 47 LEU N N 47 127.172 128.593 -1.421 1
1 514 . 17 1 1 A 47 47 LEU H H 47 8.780 9.253 -0.473 1
1 515 . 17 1 1 A 47 47 LEU CA C 47 55.322 56.482 -1.160 1
1 516 . 17 1 1 A 47 47 LEU HA H 47 4.478 4.302 0.176 1
1 517 . 17 1 1 A 47 47 LEU CB C 47 42.904 42.310 0.594 1
1 530 . 17 1 1 A 47 47 LEU C C 47 177.543 176.452 1.091 1
1 531 . 17 1 1 A 48 48 ASP N N 48 115.262 114.565 0.697 1
1 532 . 17 1 1 A 48 48 ASP H H 48 7.516 7.412 0.104 1
1 533 . 17 1 1 A 48 48 ASP CA C 48 54.649 54.169 0.480 1
1 534 . 17 1 1 A 48 48 ASP HA H 48 4.754 4.799 -0.045 1
1 535 . 17 1 1 A 48 48 ASP CB C 48 43.524 43.371 0.153 1
1 538 . 17 1 1 A 48 48 ASP C C 48 175.044 174.996 0.048 1
1 539 . 17 1 1 A 49 49 SER N N 49 123.571 122.676 0.895 1
1 540 . 17 1 1 A 49 49 SER H H 49 8.911 8.938 -0.027 1
1 541 . 17 1 1 A 49 49 SER CA C 49 56.641 57.648 -1.007 1
1 542 . 17 1 1 A 49 49 SER HA H 49 4.019 4.414 -0.395 1
1 543 . 17 1 1 A 49 49 SER CB C 49 62.018 62.437 -0.419 1
1 546 . 17 1 1 A 49 49 SER C C 49 173.953 174.514 -0.561 1
1 547 . 17 1 1 A 50 50 SER N N 50 118.555 117.450 1.105 1
1 548 . 17 1 1 A 50 50 SER H H 50 8.528 8.013 0.515 1
1 549 . 17 1 1 A 50 50 SER CA C 50 61.824 62.197 -0.373 1
1 550 . 17 1 1 A 50 50 SER HA H 50 4.050 4.079 -0.029 1
1 551 . 17 1 1 A 50 50 SER CB C 50 63.334 63.226 0.108 1
1 554 . 17 1 1 A 50 50 SER C C 50 175.507 175.115 0.392 1
1 555 . 17 1 1 A 51 51 GLU N N 51 123.653 118.871 4.782 1
1 556 . 17 1 1 A 51 51 GLU H H 51 8.756 8.269 0.487 1
1 557 . 17 1 1 A 51 51 GLU CA C 51 55.391 54.759 0.632 1
1 558 . 17 1 1 A 51 51 GLU HA H 51 4.690 4.811 -0.121 1
1 559 . 17 1 1 A 51 51 GLU CB C 51 30.112 31.554 -1.442 1
1 565 . 17 1 1 A 51 51 GLU C C 51 176.574 176.964 -0.390 1
1 566 . 17 1 1 A 52 52 ILE N N 52 117.495 124.142 -6.647 1
1 567 . 17 1 1 A 52 52 ILE H H 52 8.223 8.801 -0.578 1
1 568 . 17 1 1 A 52 52 ILE CA C 52 64.478 64.024 0.454 1
1 569 . 17 1 1 A 52 52 ILE HA H 52 3.946 3.949 -0.003 1
1 570 . 17 1 1 A 52 52 ILE CB C 52 38.365 37.363 1.002 1
1 583 . 17 1 1 A 52 52 ILE C C 52 178.681 177.293 1.388 1
1 584 . 17 1 1 A 53 53 HIS N N 53 116.338 117.766 -1.428 1
1 585 . 17 1 1 A 53 53 HIS H H 53 8.529 7.445 1.084 1
1 586 . 17 1 1 A 53 53 HIS CA C 53 57.974 58.732 -0.758 1
1 587 . 17 1 1 A 53 53 HIS HA H 53 4.332 4.018 0.314 1
1 588 . 17 1 1 A 53 53 HIS CB C 53 31.646 29.349 2.297 1
1 595 . 17 1 1 A 53 53 HIS C C 53 175.678 175.343 0.335 1
1 596 . 17 1 1 A 54 54 TRP N N 54 120.664 117.092 3.572 1
1 597 . 17 1 1 A 54 54 TRP H H 54 7.298 8.041 -0.743 1
1 598 . 17 1 1 A 54 54 TRP CA C 54 55.972 55.919 0.053 1
1 599 . 17 1 1 A 54 54 TRP HA H 54 5.142 5.239 -0.097 1
1 600 . 17 1 1 A 54 54 TRP CB C 54 31.957 30.330 1.627 1
1 615 . 17 1 1 A 54 54 TRP C C 54 174.289 175.660 -1.371 1
1 616 . 17 1 1 A 55 55 TRP N N 55 124.636 124.003 0.633 1
1 617 . 17 1 1 A 55 55 TRP H H 55 9.260 9.515 -0.255 1
1 618 . 17 1 1 A 55 55 TRP CA C 55 53.365 55.587 -2.222 1
1 619 . 17 1 1 A 55 55 TRP HA H 55 5.503 5.170 0.333 1
1 620 . 17 1 1 A 55 55 TRP CB C 55 32.591 32.557 0.034 1
1 635 . 17 1 1 A 55 55 TRP C C 55 174.620 175.666 -1.046 1
1 636 . 17 1 1 A 56 56 ARG N N 56 122.963 124.965 -2.002 1
1 637 . 17 1 1 A 56 56 ARG H H 56 8.876 8.724 0.152 1
1 638 . 17 1 1 A 56 56 ARG CA C 56 55.250 55.870 -0.620 1
1 639 . 17 1 1 A 56 56 ARG HA H 56 4.716 4.834 -0.118 1
1 640 . 17 1 1 A 56 56 ARG CB C 56 32.705 30.896 1.809 1
1 651 . 17 1 1 A 56 56 ARG C C 56 175.777 176.009 -0.232 1
1 652 . 17 1 1 A 57 57 VAL N N 57 119.683 119.506 0.177 1
1 653 . 17 1 1 A 57 57 VAL H H 57 8.784 8.531 0.253 1
1 654 . 17 1 1 A 57 57 VAL CA C 57 58.632 58.792 -0.160 1
1 655 . 17 1 1 A 57 57 VAL HA H 57 5.356 5.149 0.207 1
1 656 . 17 1 1 A 57 57 VAL CB C 57 36.354 36.213 0.141 1
1 666 . 17 1 1 A 57 57 VAL C C 57 172.758 173.471 -0.713 1
1 667 . 17 1 1 A 58 58 GLN N N 58 118.904 120.847 -1.943 1
1 668 . 17 1 1 A 58 58 GLN H H 58 8.911 8.959 -0.048 1
1 669 . 17 1 1 A 58 58 GLN CA C 58 53.324 53.987 -0.663 1
1 670 . 17 1 1 A 58 58 GLN HA H 58 5.677 5.241 0.436 1
1 671 . 17 1 1 A 58 58 GLN CB C 58 35.149 32.470 2.679 1
1 680 . 17 1 1 A 58 58 GLN C C 58 175.711 174.270 1.441 1
1 681 . 17 1 1 A 59 59 ASP N N 59 125.232 125.911 -0.679 1
1 682 . 17 1 1 A 59 59 ASP H H 59 9.274 9.109 0.165 1
1 683 . 17 1 1 A 59 59 ASP CA C 59 52.577 53.496 -0.919 1
1 684 . 17 1 1 A 59 59 ASP HA H 59 5.257 4.529 0.728 1
1 685 . 17 1 1 A 59 59 ASP CB C 59 43.563 41.856 1.707 1
1 688 . 17 1 1 A 59 59 ASP C C 59 178.615 176.879 1.736 1
1 689 . 17 1 1 A 60 60 ARG N N 60 117.439 125.357 -7.918 1
1 690 . 17 1 1 A 60 60 ARG H H 60 9.177 8.728 0.449 1
1 691 . 17 1 1 A 60 60 ARG CA C 60 57.908 58.844 -0.936 1
1 692 . 17 1 1 A 60 60 ARG HA H 60 3.987 4.260 -0.273 1
1 693 . 17 1 1 A 60 60 ARG CB C 60 29.590 29.925 -0.335 1
1 702 . 17 1 1 A 60 60 ARG C C 60 176.395 177.899 -1.504 1
1 703 . 17 1 1 A 61 61 ASN N N 61 117.081 114.405 2.676 1
1 704 . 17 1 1 A 61 61 ASN H H 61 8.294 7.652 0.642 1
1 705 . 17 1 1 A 61 61 ASN CA C 61 53.024 55.007 -1.983 1
1 706 . 17 1 1 A 61 61 ASN HA H 61 4.852 4.459 0.393 1
1 707 . 17 1 1 A 61 61 ASN CB C 61 39.662 38.821 0.841 1
1 713 . 17 1 1 A 61 61 ASN C C 61 175.197 175.518 -0.321 1
1 714 . 17 1 1 A 62 62 GLY N N 62 107.804 105.881 1.923 1
1 715 . 17 1 1 A 62 62 GLY H H 62 8.195 7.366 0.829 1
1 716 . 17 1 1 A 62 62 GLY CA C 62 45.423 45.049 0.374 1
1 717 . 17 1 1 A 62 62 GLY HA2 H 62 3.551 4.073 -0.522 1
1 718 . 17 1 1 A 62 62 GLY HA3 H 62 4.225 4.094 0.131 1
1 719 . 17 1 1 A 62 62 GLY C C 62 174.475 174.370 0.105 1
1 720 . 17 1 1 A 63 63 HIS N N 63 122.780 117.677 5.103 1
1 721 . 17 1 1 A 63 63 HIS H H 63 8.615 7.954 0.661 1
1 722 . 17 1 1 A 63 63 HIS CA C 63 55.653 54.717 0.936 1
1 723 . 17 1 1 A 63 63 HIS HA H 63 4.784 4.929 -0.145 1
1 724 . 17 1 1 A 63 63 HIS CB C 63 29.357 31.492 -2.135 1
1 731 . 17 1 1 A 63 63 HIS C C 63 173.926 174.713 -0.787 1
1 732 . 17 1 1 A 64 64 GLU N N 64 119.741 120.711 -0.970 1
1 733 . 17 1 1 A 64 64 GLU H H 64 8.681 8.884 -0.203 1
1 734 . 17 1 1 A 64 64 GLU CA C 64 53.989 54.367 -0.378 1
1 735 . 17 1 1 A 64 64 GLU HA H 64 5.835 5.370 0.465 1
1 736 . 17 1 1 A 64 64 GLU CB C 64 34.417 32.541 1.876 1
1 742 . 17 1 1 A 64 64 GLU C C 64 176.358 175.496 0.862 1
1 743 . 17 1 1 A 65 65 GLY N N 65 105.646 106.512 -0.866 1
1 744 . 17 1 1 A 65 65 GLY H H 65 8.399 7.963 0.436 1
1 745 . 17 1 1 A 65 65 GLY CA C 65 45.368 45.603 -0.235 1
1 746 . 17 1 1 A 65 65 GLY HA2 H 65 3.959 4.016 -0.057 1
1 747 . 17 1 1 A 65 65 GLY HA3 H 65 3.835 4.166 -0.331 1
1 748 . 17 1 1 A 65 65 GLY C C 65 170.819 171.177 -0.358 1
1 749 . 17 1 1 A 66 66 TYR N N 66 119.001 119.971 -0.970 1
1 750 . 17 1 1 A 66 66 TYR H H 66 8.863 8.084 0.779 1
1 751 . 17 1 1 A 66 66 TYR CA C 66 59.140 57.495 1.645 1
1 752 . 17 1 1 A 66 66 TYR HA H 66 5.317 5.205 0.112 1
1 753 . 17 1 1 A 66 66 TYR CB C 66 40.974 39.443 1.531 1
1 764 . 17 1 1 A 66 66 TYR C C 66 176.158 176.165 -0.007 1
1 765 . 17 1 1 A 67 67 VAL N N 67 112.145 118.204 -6.059 1
1 766 . 17 1 1 A 67 67 VAL H H 67 9.180 8.633 0.547 1
1 767 . 17 1 1 A 67 67 VAL CA C 67 57.686 58.117 -0.431 1
1 768 . 17 1 1 A 67 67 VAL HA H 67 4.803 4.840 -0.037 1
1 769 . 17 1 1 A 67 67 VAL CB C 67 33.564 33.506 0.058 1
1 779 . 17 1 1 A 67 67 VAL C C 67 172.139 173.520 -1.381 1
1 780 . 17 1 1 A 68 68 PRO CA C 68 61.422 62.344 -0.922 1
1 781 . 17 1 1 A 68 68 PRO HA H 68 3.745 4.409 -0.664 1
1 782 . 17 1 1 A 68 68 PRO CB C 68 30.557 31.021 -0.464 1
1 791 . 17 1 1 A 68 68 PRO C C 68 178.674 177.250 1.424 1
1 792 . 17 1 1 A 69 69 SER N N 69 122.331 121.254 1.077 1
1 793 . 17 1 1 A 69 69 SER H H 69 7.791 8.912 -1.121 1
1 794 . 17 1 1 A 69 69 SER CA C 69 60.162 61.242 -1.080 1
1 795 . 17 1 1 A 69 69 SER HA H 69 2.790 3.944 -1.154 1
1 796 . 17 1 1 A 69 69 SER CB C 69 60.021 61.940 -1.919 1
1 799 . 17 1 1 A 69 69 SER C C 69 176.238 176.255 -0.017 1
1 800 . 17 1 1 A 70 70 SER N N 70 114.849 114.997 -0.148 1
1 801 . 17 1 1 A 70 70 SER H H 70 7.812 8.051 -0.239 1
1 802 . 17 1 1 A 70 70 SER CA C 70 59.590 61.524 -1.934 1
1 803 . 17 1 1 A 70 70 SER HA H 70 4.095 4.104 -0.009 1
1 804 . 17 1 1 A 70 70 SER CB C 70 62.885 62.684 0.201 1
1 807 . 17 1 1 A 70 70 SER C C 70 175.286 176.494 -1.208 1
1 808 . 17 1 1 A 71 71 TYR N N 71 122.244 119.628 2.616 1
1 809 . 17 1 1 A 71 71 TYR H H 71 7.593 8.087 -0.494 1
1 810 . 17 1 1 A 71 71 TYR CA C 71 58.102 60.407 -2.305 1
1 811 . 17 1 1 A 71 71 TYR HA H 71 4.496 4.437 0.059 1
1 812 . 17 1 1 A 71 71 TYR CB C 71 37.631 38.481 -0.850 1
1 823 . 17 1 1 A 71 71 TYR C C 71 174.002 176.583 -2.581 1
1 824 . 17 1 1 A 72 72 LEU N N 72 119.079 119.463 -0.384 1
1 825 . 17 1 1 A 72 72 LEU H H 72 7.270 7.773 -0.503 1
1 826 . 17 1 1 A 72 72 LEU CA C 72 53.625 55.624 -1.999 1
1 827 . 17 1 1 A 72 72 LEU HA H 72 5.388 4.615 0.773 1
1 828 . 17 1 1 A 72 72 LEU CB C 72 46.623 42.651 3.972 1
1 841 . 17 1 1 A 72 72 LEU C C 72 175.893 176.302 -0.409 1
1 842 . 17 1 1 A 73 73 VAL N N 73 116.343 118.499 -2.156 1
1 843 . 17 1 1 A 73 73 VAL H H 73 8.610 8.869 -0.259 1
1 844 . 17 1 1 A 73 73 VAL CA C 73 59.707 59.113 0.594 1
1 845 . 17 1 1 A 73 73 VAL HA H 73 4.601 4.809 -0.208 1
1 846 . 17 1 1 A 73 73 VAL CB C 73 35.811 35.373 0.438 1
1 856 . 17 1 1 A 73 73 VAL C C 73 174.186 174.385 -0.199 1
1 857 . 17 1 1 A 74 74 GLU N N 74 124.925 125.255 -0.330 1
1 858 . 17 1 1 A 74 74 GLU H H 74 8.845 8.458 0.387 1
1 859 . 17 1 1 A 74 74 GLU CA C 74 57.745 56.406 1.339 1
1 860 . 17 1 1 A 74 74 GLU HA H 74 4.363 4.463 -0.100 1
1 861 . 17 1 1 A 74 74 GLU CB C 74 30.164 30.066 0.098 1
1 867 . 17 1 1 A 74 74 GLU C C 74 176.322 176.363 -0.041 1
1 868 . 17 1 1 A 75 75 LYS N N 75 125.959 129.897 -3.938 1
1 869 . 17 1 1 A 75 75 LYS H H 75 8.556 8.074 0.482 1
1 870 . 17 1 1 A 75 75 LYS CA C 75 57.115 57.467 -0.352 1
1 871 . 17 1 1 A 75 75 LYS HA H 75 4.157 4.285 -0.128 1
1 872 . 17 1 1 A 75 75 LYS CB C 75 33.626 33.071 0.555 1
1 884 . 17 1 1 A 75 75 LYS C C 75 175.944 175.032 0.912 1
1 885 . 17 1 1 A 76 76 SER N N 76 121.519 123.100 -1.581 1
1 886 . 17 1 1 A 76 76 SER H H 76 8.576 8.312 0.264 1
1 887 . 17 1 1 A 76 76 SER CA C 76 56.205 54.365 1.840 1
1 888 . 17 1 1 A 76 76 SER HA H 76 4.809 5.005 -0.196 1
1 889 . 17 1 1 A 76 76 SER CB C 76 63.582 65.261 -1.679 1
1 891 . 17 1 1 A 76 76 SER C C 76 172.875 174.159 -1.284 1
1 892 . 17 1 1 A 77 77 PRO CA C 77 63.453 63.781 -0.328 1
1 893 . 17 1 1 A 77 77 PRO HA H 77 4.434 4.661 -0.227 1
1 894 . 17 1 1 A 77 77 PRO CB C 77 32.104 31.763 0.341 1
1 903 . 17 1 1 A 77 77 PRO C C 77 176.734 176.513 0.221 1
1 904 . 17 1 1 A 78 78 ASN N N 78 118.087 118.885 -0.798 1
1 905 . 17 1 1 A 78 78 ASN H H 78 8.434 7.496 0.938 1
1 906 . 17 1 1 A 78 78 ASN CA C 78 53.314 53.961 -0.647 1
1 907 . 17 1 1 A 78 78 ASN HA H 78 4.653 4.359 0.294 1
1 908 . 17 1 1 A 78 78 ASN CB C 78 38.823 39.413 -0.590 1
1 914 . 17 1 1 A 78 78 ASN C C 78 174.985 176.196 -1.211 1
1 915 . 17 1 1 A 79 79 ASN N N 79 119.198 117.695 1.503 1
1 916 . 17 1 1 A 79 79 ASN H H 79 8.312 8.995 -0.683 1
1 917 . 17 1 1 A 79 79 ASN CA C 79 53.379 54.153 -0.774 1
1 918 . 17 1 1 A 79 79 ASN HA H 79 4.696 4.282 0.414 1
1 919 . 17 1 1 A 79 79 ASN CB C 79 38.827 37.157 1.670 1
1 925 . 17 1 1 A 79 79 ASN C C 79 175.132 174.054 1.078 1
1 926 . 17 1 1 A 80 80 LEU N N 80 122.154 115.716 6.438 1
1 927 . 17 1 1 A 80 80 LEU H H 80 8.195 7.771 0.424 1
1 928 . 17 1 1 A 80 80 LEU CA C 80 55.523 53.587 1.936 1
1 929 . 17 1 1 A 80 80 LEU HA H 80 4.305 4.608 -0.303 1
1 930 . 17 1 1 A 80 80 LEU CB C 80 42.304 43.701 -1.397 1
1 943 . 17 1 1 A 80 80 LEU C C 80 177.461 176.521 0.940 1
1 944 . 17 1 1 A 81 81 GLU N N 81 121.156 119.776 1.380 1
1 945 . 17 1 1 A 81 81 GLU H H 81 8.341 9.190 -0.849 1
1 946 . 17 1 1 A 81 81 GLU CA C 81 56.665 57.459 -0.794 1
1 947 . 17 1 1 A 81 81 GLU HA H 81 4.253 4.172 0.081 1
1 948 . 17 1 1 A 81 81 GLU CB C 81 30.219 29.038 1.181 1
1 954 . 17 1 1 A 81 81 GLU C C 81 176.365 176.592 -0.227 1
1 955 . 17 1 1 A 82 82 THR N N 82 114.319 113.119 1.200 1
1 956 . 17 1 1 A 82 82 THR H H 82 7.970 8.056 -0.086 1
1 957 . 17 1 1 A 82 82 THR CA C 82 61.517 60.976 0.541 1
1 958 . 17 1 1 A 82 82 THR HA H 82 4.211 4.570 -0.359 1
1 959 . 17 1 1 A 82 82 THR CB C 82 69.881 68.208 1.673 1
1 965 . 17 1 1 A 82 82 THR C C 82 173.812 173.023 0.789 1
1 966 . 17 1 1 A 83 83 TYR N N 83 122.614 121.507 1.107 1
1 967 . 17 1 1 A 83 83 TYR H H 83 8.076 7.817 0.259 1
1 968 . 17 1 1 A 83 83 TYR CA C 83 57.640 56.333 1.307 1
1 969 . 17 1 1 A 83 83 TYR HA H 83 4.444 4.922 -0.478 1
1 970 . 17 1 1 A 83 83 TYR CB C 83 38.964 38.380 0.584 1
1 981 . 17 1 1 A 83 83 TYR C C 83 175.115 175.779 -0.664 1
1 982 . 17 1 1 A 84 84 GLU N N 84 122.790 121.275 1.515 1
1 983 . 17 1 1 A 84 84 GLU H H 84 7.995 8.452 -0.457 1
1 984 . 17 1 1 A 84 84 GLU CA C 84 56.097 56.601 -0.504 1
1 985 . 17 1 1 A 84 84 GLU HA H 84 4.227 4.337 -0.110 1
1 986 . 17 1 1 A 84 84 GLU CB C 84 30.506 29.128 1.378 1
1 992 . 17 1 1 A 84 84 GLU C C 84 174.707 175.934 -1.227 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.365 45.831 -0.466 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.970 4.074 -0.104 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.824 4.075 -0.251 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.351 174.351 0.000 1
1 5 . 18 1 1 A 8 8 GLU N N 8 120.458 119.922 0.536 1
1 6 . 18 1 1 A 8 8 GLU H H 8 8.288 8.025 0.263 1
1 7 . 18 1 1 A 8 8 GLU CA C 8 56.663 55.560 1.103 1
1 8 . 18 1 1 A 8 8 GLU HA H 8 4.254 4.669 -0.415 1
1 9 . 18 1 1 A 8 8 GLU CB C 8 30.248 30.638 -0.390 1
1 15 . 18 1 1 A 8 8 GLU C C 8 176.364 174.717 1.647 1
1 16 . 18 1 1 A 9 9 ASP N N 9 120.849 122.741 -1.892 1
1 17 . 18 1 1 A 9 9 ASP H H 9 8.379 8.214 0.165 1
1 18 . 18 1 1 A 9 9 ASP CA C 9 54.402 53.210 1.192 1
1 19 . 18 1 1 A 9 9 ASP HA H 9 4.543 5.155 -0.612 1
1 20 . 18 1 1 A 9 9 ASP CB C 9 41.035 45.217 -4.182 1
1 23 . 18 1 1 A 9 9 ASP C C 9 176.003 174.391 1.612 1
1 24 . 18 1 1 A 10 10 ASN N N 10 119.270 118.758 0.512 1
1 25 . 18 1 1 A 10 10 ASN H H 10 8.303 8.791 -0.488 1
1 26 . 18 1 1 A 10 10 ASN CA C 10 53.233 52.069 1.164 1
1 27 . 18 1 1 A 10 10 ASN HA H 10 4.654 5.336 -0.682 1
1 28 . 18 1 1 A 10 10 ASN CB C 10 38.832 42.000 -3.168 1
1 34 . 18 1 1 A 10 10 ASN C C 10 175.079 174.279 0.800 1
1 35 . 18 1 1 A 11 11 ARG N N 11 120.795 119.489 1.306 1
1 36 . 18 1 1 A 11 11 ARG H H 11 8.132 8.536 -0.404 1
1 37 . 18 1 1 A 11 11 ARG CA C 11 56.092 54.248 1.844 1
1 38 . 18 1 1 A 11 11 ARG HA H 11 4.257 4.924 -0.667 1
1 39 . 18 1 1 A 11 11 ARG CB C 11 30.721 33.222 -2.501 1
1 48 . 18 1 1 A 11 11 ARG C C 11 176.045 175.482 0.563 1
1 49 . 18 1 1 A 12 12 ARG N N 12 123.167 122.323 0.844 1
1 50 . 18 1 1 A 12 12 ARG H H 12 8.222 8.363 -0.141 1
1 51 . 18 1 1 A 12 12 ARG CA C 12 53.918 54.089 -0.171 1
1 52 . 18 1 1 A 12 12 ARG HA H 12 4.506 4.639 -0.133 1
1 53 . 18 1 1 A 12 12 ARG CB C 12 29.923 29.805 0.118 1
1 62 . 18 1 1 A 12 12 ARG C C 12 174.073 174.297 -0.224 1
1 63 . 18 1 1 A 13 13 PRO CA C 13 62.815 62.898 -0.083 1
1 64 . 18 1 1 A 13 13 PRO HA H 13 4.255 4.606 -0.351 1
1 65 . 18 1 1 A 13 13 PRO CB C 13 31.903 32.429 -0.526 1
1 74 . 18 1 1 A 13 13 PRO C C 13 176.315 176.763 -0.448 1
1 75 . 18 1 1 A 14 14 LEU N N 14 122.009 119.753 2.256 1
1 76 . 18 1 1 A 14 14 LEU H H 14 8.090 8.917 -0.827 1
1 77 . 18 1 1 A 14 14 LEU CA C 14 55.286 56.912 -1.626 1
1 78 . 18 1 1 A 14 14 LEU HA H 14 4.065 4.257 -0.192 1
1 79 . 18 1 1 A 14 14 LEU CB C 14 42.258 42.569 -0.311 1
1 92 . 18 1 1 A 14 14 LEU C C 14 176.610 176.954 -0.344 1
1 93 . 18 1 1 A 15 15 TRP N N 15 120.219 116.592 3.627 1
1 94 . 18 1 1 A 15 15 TRP H H 15 7.582 8.307 -0.725 1
1 95 . 18 1 1 A 15 15 TRP CA C 15 56.114 56.919 -0.805 1
1 96 . 18 1 1 A 15 15 TRP HA H 15 4.803 4.981 -0.178 1
1 97 . 18 1 1 A 15 15 TRP CB C 15 29.845 31.958 -2.113 1
1 112 . 18 1 1 A 15 15 TRP C C 15 176.093 176.536 -0.443 1
1 113 . 18 1 1 A 16 16 GLU N N 16 124.270 120.698 3.572 1
1 114 . 18 1 1 A 16 16 GLU H H 16 8.901 8.852 0.049 1
1 115 . 18 1 1 A 16 16 GLU CA C 16 54.729 54.955 -0.226 1
1 116 . 18 1 1 A 16 16 GLU HA H 16 4.471 4.627 -0.156 1
1 117 . 18 1 1 A 16 16 GLU CB C 16 29.173 29.413 -0.240 1
1 123 . 18 1 1 A 16 16 GLU C C 16 175.525 176.718 -1.193 1
1 124 . 18 1 1 A 17 17 PRO CA C 17 64.535 65.421 -0.886 1
1 125 . 18 1 1 A 17 17 PRO HA H 17 4.306 4.334 -0.028 1
1 126 . 18 1 1 A 17 17 PRO CB C 17 32.105 31.886 0.219 1
1 135 . 18 1 1 A 17 17 PRO C C 17 177.261 178.709 -1.448 1
1 136 . 18 1 1 A 18 18 GLU N N 18 116.089 116.231 -0.142 1
1 137 . 18 1 1 A 18 18 GLU H H 18 8.459 8.794 -0.335 1
1 138 . 18 1 1 A 18 18 GLU CA C 18 57.215 59.097 -1.882 1
1 139 . 18 1 1 A 18 18 GLU HA H 18 4.203 4.105 0.098 1
1 140 . 18 1 1 A 18 18 GLU CB C 18 29.321 29.026 0.295 1
1 146 . 18 1 1 A 18 18 GLU C C 18 176.941 177.190 -0.249 1
1 147 . 18 1 1 A 19 19 GLU N N 19 120.173 120.623 -0.450 1
1 148 . 18 1 1 A 19 19 GLU H H 19 7.861 7.884 -0.023 1
1 149 . 18 1 1 A 19 19 GLU CA C 19 56.170 57.128 -0.958 1
1 150 . 18 1 1 A 19 19 GLU HA H 19 4.257 4.425 -0.168 1
1 151 . 18 1 1 A 19 19 GLU CB C 19 30.012 30.216 -0.204 1
1 157 . 18 1 1 A 19 19 GLU C C 19 176.182 176.059 0.123 1
1 158 . 18 1 1 A 20 20 THR N N 20 120.847 117.915 2.932 1
1 159 . 18 1 1 A 20 20 THR H H 20 9.010 8.637 0.373 1
1 160 . 18 1 1 A 20 20 THR CA C 20 63.200 62.434 0.766 1
1 161 . 18 1 1 A 20 20 THR HA H 20 4.188 4.572 -0.384 1
1 162 . 18 1 1 A 20 20 THR CB C 20 69.394 69.070 0.324 1
1 168 . 18 1 1 A 20 20 THR C C 20 172.501 174.130 -1.629 1
1 169 . 18 1 1 A 21 21 VAL N N 21 128.753 128.468 0.285 1
1 170 . 18 1 1 A 21 21 VAL H H 21 8.497 8.959 -0.462 1
1 171 . 18 1 1 A 21 21 VAL CA C 21 61.422 61.489 -0.067 1
1 172 . 18 1 1 A 21 21 VAL HA H 21 4.546 4.351 0.195 1
1 173 . 18 1 1 A 21 21 VAL CB C 21 33.236 32.798 0.438 1
1 183 . 18 1 1 A 21 21 VAL C C 21 175.700 175.611 0.089 1
1 184 . 18 1 1 A 22 22 VAL N N 22 119.061 121.020 -1.959 1
1 185 . 18 1 1 A 22 22 VAL H H 22 9.159 9.085 0.074 1
1 186 . 18 1 1 A 22 22 VAL CA C 22 57.799 58.975 -1.176 1
1 187 . 18 1 1 A 22 22 VAL HA H 22 5.187 5.351 -0.164 1
1 188 . 18 1 1 A 22 22 VAL CB C 22 35.307 35.682 -0.375 1
1 198 . 18 1 1 A 22 22 VAL C C 22 173.461 174.496 -1.035 1
1 199 . 18 1 1 A 23 23 ILE N N 23 120.660 122.822 -2.162 1
1 200 . 18 1 1 A 23 23 ILE H H 23 9.354 8.782 0.572 1
1 201 . 18 1 1 A 23 23 ILE CA C 23 58.793 59.395 -0.602 1
1 202 . 18 1 1 A 23 23 ILE HA H 23 5.082 5.027 0.055 1
1 203 . 18 1 1 A 23 23 ILE CB C 23 41.289 41.609 -0.320 1
1 216 . 18 1 1 A 23 23 ILE C C 23 176.270 174.714 1.556 1
1 217 . 18 1 1 A 24 24 ALA N N 24 125.421 128.606 -3.185 1
1 218 . 18 1 1 A 24 24 ALA H H 24 8.184 8.526 -0.342 1
1 219 . 18 1 1 A 24 24 ALA CA C 24 51.461 51.556 -0.095 1
1 220 . 18 1 1 A 24 24 ALA HA H 24 4.982 4.824 0.158 1
1 221 . 18 1 1 A 24 24 ALA CB C 24 20.231 19.462 0.769 1
1 225 . 18 1 1 A 24 24 ALA C C 24 178.664 177.504 1.160 1
1 226 . 18 1 1 A 25 25 LEU N N 25 126.185 124.988 1.197 1
1 227 . 18 1 1 A 25 25 LEU H H 25 9.388 8.924 0.464 1
1 228 . 18 1 1 A 25 25 LEU CA C 25 55.799 55.586 0.213 1
1 229 . 18 1 1 A 25 25 LEU HA H 25 3.875 4.024 -0.149 1
1 230 . 18 1 1 A 25 25 LEU CB C 25 43.786 42.186 1.600 1
1 243 . 18 1 1 A 25 25 LEU C C 25 175.686 176.474 -0.788 1
1 244 . 18 1 1 A 26 26 TYR N N 26 110.488 115.882 -5.394 1
1 245 . 18 1 1 A 26 26 TYR H H 26 6.878 7.591 -0.713 1
1 246 . 18 1 1 A 26 26 TYR CA C 26 53.575 56.305 -2.730 1
1 247 . 18 1 1 A 26 26 TYR HA H 26 4.744 5.173 -0.429 1
1 248 . 18 1 1 A 26 26 TYR CB C 26 42.393 42.545 -0.152 1
1 259 . 18 1 1 A 26 26 TYR C C 26 173.800 174.356 -0.556 1
1 260 . 18 1 1 A 27 27 ASP N N 27 117.327 122.999 -5.672 1
1 261 . 18 1 1 A 27 27 ASP H H 27 8.278 8.583 -0.305 1
1 262 . 18 1 1 A 27 27 ASP CA C 27 54.522 53.225 1.297 1
1 263 . 18 1 1 A 27 27 ASP HA H 27 4.639 4.924 -0.285 1
1 264 . 18 1 1 A 27 27 ASP CB C 27 41.944 40.936 1.008 1
1 267 . 18 1 1 A 27 27 ASP C C 27 176.000 175.172 0.828 1
1 268 . 18 1 1 A 28 28 TYR N N 28 121.747 128.613 -6.866 1
1 269 . 18 1 1 A 28 28 TYR H H 28 8.724 8.861 -0.137 1
1 270 . 18 1 1 A 28 28 TYR CA C 28 57.938 59.266 -1.328 1
1 271 . 18 1 1 A 28 28 TYR HA H 28 4.934 4.880 0.054 1
1 272 . 18 1 1 A 28 28 TYR CB C 28 42.161 39.498 2.663 1
1 283 . 18 1 1 A 28 28 TYR C C 28 173.834 174.710 -0.876 1
1 284 . 18 1 1 A 29 29 GLN N N 29 126.180 125.335 0.845 1
1 285 . 18 1 1 A 29 29 GLN H H 29 7.959 7.954 0.005 1
1 286 . 18 1 1 A 29 29 GLN CA C 29 54.153 53.939 0.214 1
1 287 . 18 1 1 A 29 29 GLN HA H 29 4.507 4.839 -0.332 1
1 288 . 18 1 1 A 29 29 GLN CB C 29 29.854 32.326 -2.472 1
1 297 . 18 1 1 A 29 29 GLN C C 29 173.966 174.178 -0.212 1
1 298 . 18 1 1 A 30 30 THR N N 30 115.009 115.058 -0.049 1
1 299 . 18 1 1 A 30 30 THR H H 30 7.982 8.505 -0.523 1
1 300 . 18 1 1 A 30 30 THR CA C 30 59.769 60.467 -0.698 1
1 301 . 18 1 1 A 30 30 THR HA H 30 4.319 4.751 -0.432 1
1 302 . 18 1 1 A 30 30 THR CB C 30 69.002 70.108 -1.106 1
1 308 . 18 1 1 A 30 30 THR C C 30 172.388 172.560 -0.172 1
1 309 . 18 1 1 A 31 31 ASN N N 31 121.715 122.983 -1.268 1
1 310 . 18 1 1 A 31 31 ASN H H 31 8.702 8.707 -0.005 1
1 311 . 18 1 1 A 31 31 ASN CA C 31 52.449 52.896 -0.447 1
1 312 . 18 1 1 A 31 31 ASN HA H 31 4.787 5.064 -0.277 1
1 313 . 18 1 1 A 31 31 ASN CB C 31 39.822 39.024 0.798 1
1 319 . 18 1 1 A 31 31 ASN C C 31 174.579 172.702 1.877 1
1 320 . 18 1 1 A 32 32 ASP N N 32 124.854 118.729 6.125 1
1 321 . 18 1 1 A 32 32 ASP H H 32 8.333 7.547 0.786 1
1 322 . 18 1 1 A 32 32 ASP CA C 32 51.996 50.584 1.412 1
1 323 . 18 1 1 A 32 32 ASP HA H 32 4.827 5.077 -0.250 1
1 324 . 18 1 1 A 32 32 ASP CB C 32 43.075 42.444 0.631 1
1 327 . 18 1 1 A 32 32 ASP C C 32 176.135 176.080 0.055 1
1 328 . 18 1 1 A 33 33 PRO CA C 33 64.451 64.789 -0.338 1
1 329 . 18 1 1 A 33 33 PRO HA H 33 4.490 4.300 0.190 1
1 330 . 18 1 1 A 33 33 PRO CB C 33 32.425 32.089 0.336 1
1 339 . 18 1 1 A 33 33 PRO C C 33 177.612 178.399 -0.787 1
1 340 . 18 1 1 A 34 34 GLN N N 34 116.032 115.072 0.960 1
1 341 . 18 1 1 A 34 34 GLN H H 34 8.906 8.558 0.348 1
1 342 . 18 1 1 A 34 34 GLN CA C 34 56.080 57.571 -1.491 1
1 343 . 18 1 1 A 34 34 GLN HA H 34 4.559 4.092 0.467 1
1 344 . 18 1 1 A 34 34 GLN CB C 34 29.488 27.826 1.662 1
1 353 . 18 1 1 A 34 34 GLN C C 34 176.811 175.719 1.092 1
1 354 . 18 1 1 A 35 35 GLU N N 35 120.585 119.558 1.027 1
1 355 . 18 1 1 A 35 35 GLU H H 35 7.905 7.815 0.090 1
1 356 . 18 1 1 A 35 35 GLU CA C 35 55.147 54.784 0.363 1
1 357 . 18 1 1 A 35 35 GLU HA H 35 5.370 4.874 0.496 1
1 358 . 18 1 1 A 35 35 GLU CB C 35 33.394 32.963 0.431 1
1 364 . 18 1 1 A 35 35 GLU C C 35 174.508 174.593 -0.085 1
1 365 . 18 1 1 A 36 36 LEU N N 36 122.127 124.626 -2.499 1
1 366 . 18 1 1 A 36 36 LEU H H 36 7.553 8.982 -1.429 1
1 367 . 18 1 1 A 36 36 LEU CA C 36 53.375 53.448 -0.073 1
1 368 . 18 1 1 A 36 36 LEU HA H 36 4.415 5.312 -0.897 1
1 369 . 18 1 1 A 36 36 LEU CB C 36 45.685 46.695 -1.010 1
1 382 . 18 1 1 A 36 36 LEU C C 36 173.533 174.390 -0.857 1
1 383 . 18 1 1 A 37 37 ALA N N 37 124.419 127.920 -3.501 1
1 384 . 18 1 1 A 37 37 ALA H H 37 7.813 8.904 -1.091 1
1 385 . 18 1 1 A 37 37 ALA CA C 37 51.854 50.682 1.172 1
1 386 . 18 1 1 A 37 37 ALA HA H 37 4.581 5.338 -0.757 1
1 387 . 18 1 1 A 37 37 ALA CB C 37 19.371 20.278 -0.907 1
1 391 . 18 1 1 A 37 37 ALA C C 37 177.822 177.140 0.682 1
1 392 . 18 1 1 A 38 38 LEU N N 38 116.787 123.810 -7.023 1
1 393 . 18 1 1 A 38 38 LEU H H 38 8.656 9.114 -0.458 1
1 394 . 18 1 1 A 38 38 LEU CA C 38 52.952 53.407 -0.455 1
1 395 . 18 1 1 A 38 38 LEU HA H 38 5.026 4.892 0.134 1
1 396 . 18 1 1 A 38 38 LEU CB C 38 45.223 43.532 1.691 1
1 409 . 18 1 1 A 38 38 LEU C C 38 177.842 175.909 1.933 1
1 410 . 18 1 1 A 39 39 ARG N N 39 123.462 121.989 1.473 1
1 411 . 18 1 1 A 39 39 ARG H H 39 8.333 8.709 -0.376 1
1 412 . 18 1 1 A 39 39 ARG CA C 39 53.731 54.111 -0.380 1
1 413 . 18 1 1 A 39 39 ARG HA H 39 4.977 5.209 -0.232 1
1 414 . 18 1 1 A 39 39 ARG CB C 39 32.431 34.104 -1.673 1
1 423 . 18 1 1 A 39 39 ARG C C 39 174.595 175.177 -0.582 1
1 424 . 18 1 1 A 40 40 ARG N N 40 123.974 126.953 -2.979 1
1 425 . 18 1 1 A 40 40 ARG H H 40 8.899 8.663 0.236 1
1 426 . 18 1 1 A 40 40 ARG CA C 40 58.302 57.630 0.672 1
1 427 . 18 1 1 A 40 40 ARG HA H 40 3.350 4.079 -0.729 1
1 428 . 18 1 1 A 40 40 ARG CB C 40 30.480 30.174 0.306 1
1 437 . 18 1 1 A 40 40 ARG C C 40 176.432 176.981 -0.549 1
1 438 . 18 1 1 A 41 41 ASN N N 41 117.655 119.267 -1.612 1
1 439 . 18 1 1 A 41 41 ASN H H 41 9.246 8.607 0.639 1
1 440 . 18 1 1 A 41 41 ASN CA C 41 55.859 54.447 1.412 1
1 441 . 18 1 1 A 41 41 ASN HA H 41 4.227 4.318 -0.091 1
1 442 . 18 1 1 A 41 41 ASN CB C 41 37.555 37.075 0.480 1
1 448 . 18 1 1 A 41 41 ASN C C 41 174.318 173.969 0.349 1
1 449 . 18 1 1 A 42 42 GLU N N 42 122.758 117.169 5.589 1
1 450 . 18 1 1 A 42 42 GLU H H 42 8.419 7.733 0.686 1
1 451 . 18 1 1 A 42 42 GLU CA C 42 56.625 54.958 1.667 1
1 452 . 18 1 1 A 42 42 GLU HA H 42 4.445 4.810 -0.365 1
1 453 . 18 1 1 A 42 42 GLU CB C 42 29.887 32.310 -2.423 1
1 459 . 18 1 1 A 42 42 GLU C C 42 173.885 175.092 -1.207 1
1 460 . 18 1 1 A 43 43 GLU N N 43 119.431 122.859 -3.428 1
1 461 . 18 1 1 A 43 43 GLU H H 43 7.901 8.651 -0.750 1
1 462 . 18 1 1 A 43 43 GLU CA C 43 54.997 56.123 -1.126 1
1 463 . 18 1 1 A 43 43 GLU HA H 43 5.106 4.868 0.238 1
1 464 . 18 1 1 A 43 43 GLU CB C 43 32.392 31.158 1.234 1
1 470 . 18 1 1 A 43 43 GLU C C 43 175.285 175.427 -0.142 1
1 471 . 18 1 1 A 44 44 TYR N N 44 118.011 119.350 -1.339 1
1 472 . 18 1 1 A 44 44 TYR H H 44 9.196 8.849 0.347 1
1 473 . 18 1 1 A 44 44 TYR CA C 44 56.847 56.449 0.398 1
1 474 . 18 1 1 A 44 44 TYR HA H 44 4.708 4.777 -0.069 1
1 475 . 18 1 1 A 44 44 TYR CB C 44 42.218 42.490 -0.272 1
1 486 . 18 1 1 A 44 44 TYR C C 44 173.315 174.154 -0.839 1
1 487 . 18 1 1 A 45 45 CYS N N 45 120.674 123.238 -2.564 1
1 488 . 18 1 1 A 45 45 CYS H H 45 8.803 8.592 0.211 1
1 489 . 18 1 1 A 45 45 CYS CA C 45 57.318 57.681 -0.363 1
1 490 . 18 1 1 A 45 45 CYS HA H 45 4.425 4.779 -0.354 1
1 491 . 18 1 1 A 45 45 CYS CB C 45 27.610 29.643 -2.033 1
1 494 . 18 1 1 A 45 45 CYS C C 45 174.817 174.012 0.805 1
1 495 . 18 1 1 A 46 46 LEU N N 46 129.242 127.526 1.716 1
1 496 . 18 1 1 A 46 46 LEU H H 46 8.803 8.435 0.368 1
1 497 . 18 1 1 A 46 46 LEU CA C 46 55.404 55.160 0.244 1
1 498 . 18 1 1 A 46 46 LEU HA H 46 4.224 4.445 -0.221 1
1 499 . 18 1 1 A 46 46 LEU CB C 46 42.929 42.283 0.646 1
1 512 . 18 1 1 A 46 46 LEU C C 46 174.895 175.836 -0.941 1
1 513 . 18 1 1 A 47 47 LEU N N 47 127.172 128.735 -1.563 1
1 514 . 18 1 1 A 47 47 LEU H H 47 8.780 9.137 -0.357 1
1 515 . 18 1 1 A 47 47 LEU CA C 47 55.322 56.701 -1.379 1
1 516 . 18 1 1 A 47 47 LEU HA H 47 4.478 4.259 0.219 1
1 517 . 18 1 1 A 47 47 LEU CB C 47 42.904 42.571 0.333 1
1 530 . 18 1 1 A 47 47 LEU C C 47 177.543 176.521 1.022 1
1 531 . 18 1 1 A 48 48 ASP N N 48 115.262 115.631 -0.369 1
1 532 . 18 1 1 A 48 48 ASP H H 48 7.516 7.832 -0.316 1
1 533 . 18 1 1 A 48 48 ASP CA C 48 54.649 53.734 0.915 1
1 534 . 18 1 1 A 48 48 ASP HA H 48 4.754 4.896 -0.142 1
1 535 . 18 1 1 A 48 48 ASP CB C 48 43.524 44.548 -1.024 1
1 538 . 18 1 1 A 48 48 ASP C C 48 175.044 174.733 0.311 1
1 539 . 18 1 1 A 49 49 SER N N 49 123.571 118.865 4.706 1
1 540 . 18 1 1 A 49 49 SER H H 49 8.911 8.283 0.628 1
1 541 . 18 1 1 A 49 49 SER CA C 49 56.641 56.465 0.176 1
1 542 . 18 1 1 A 49 49 SER HA H 49 4.019 4.551 -0.532 1
1 543 . 18 1 1 A 49 49 SER CB C 49 62.018 62.294 -0.276 1
1 546 . 18 1 1 A 49 49 SER C C 49 173.953 175.398 -1.445 1
1 547 . 18 1 1 A 50 50 SER N N 50 118.555 117.085 1.470 1
1 548 . 18 1 1 A 50 50 SER H H 50 8.528 8.019 0.509 1
1 549 . 18 1 1 A 50 50 SER CA C 50 61.824 61.657 0.167 1
1 550 . 18 1 1 A 50 50 SER HA H 50 4.050 4.075 -0.025 1
1 551 . 18 1 1 A 50 50 SER CB C 50 63.334 63.122 0.212 1
1 554 . 18 1 1 A 50 50 SER C C 50 175.507 174.439 1.068 1
1 555 . 18 1 1 A 51 51 GLU N N 51 123.653 118.795 4.858 1
1 556 . 18 1 1 A 51 51 GLU H H 51 8.756 8.232 0.524 1
1 557 . 18 1 1 A 51 51 GLU CA C 51 55.391 55.398 -0.007 1
1 558 . 18 1 1 A 51 51 GLU HA H 51 4.690 4.595 0.095 1
1 559 . 18 1 1 A 51 51 GLU CB C 51 30.112 30.725 -0.613 1
1 565 . 18 1 1 A 51 51 GLU C C 51 176.574 176.307 0.267 1
1 566 . 18 1 1 A 52 52 ILE N N 52 117.495 122.477 -4.982 1
1 567 . 18 1 1 A 52 52 ILE H H 52 8.223 8.530 -0.307 1
1 568 . 18 1 1 A 52 52 ILE CA C 52 64.478 63.157 1.321 1
1 569 . 18 1 1 A 52 52 ILE HA H 52 3.946 4.225 -0.279 1
1 570 . 18 1 1 A 52 52 ILE CB C 52 38.365 38.295 0.070 1
1 583 . 18 1 1 A 52 52 ILE C C 52 178.681 177.511 1.170 1
1 584 . 18 1 1 A 53 53 HIS N N 53 116.338 116.735 -0.397 1
1 585 . 18 1 1 A 53 53 HIS H H 53 8.529 7.549 0.980 1
1 586 . 18 1 1 A 53 53 HIS CA C 53 57.974 58.702 -0.728 1
1 587 . 18 1 1 A 53 53 HIS HA H 53 4.332 3.994 0.338 1
1 588 . 18 1 1 A 53 53 HIS CB C 53 31.646 29.870 1.776 1
1 595 . 18 1 1 A 53 53 HIS C C 53 175.678 174.533 1.145 1
1 596 . 18 1 1 A 54 54 TRP N N 54 120.664 117.025 3.639 1
1 597 . 18 1 1 A 54 54 TRP H H 54 7.298 7.748 -0.450 1
1 598 . 18 1 1 A 54 54 TRP CA C 54 55.972 55.490 0.482 1
1 599 . 18 1 1 A 54 54 TRP HA H 54 5.142 5.463 -0.321 1
1 600 . 18 1 1 A 54 54 TRP CB C 54 31.957 31.741 0.216 1
1 615 . 18 1 1 A 54 54 TRP C C 54 174.289 175.449 -1.160 1
1 616 . 18 1 1 A 55 55 TRP N N 55 124.636 123.586 1.050 1
1 617 . 18 1 1 A 55 55 TRP H H 55 9.260 9.271 -0.011 1
1 618 . 18 1 1 A 55 55 TRP CA C 55 53.365 55.539 -2.174 1
1 619 . 18 1 1 A 55 55 TRP HA H 55 5.503 5.268 0.235 1
1 620 . 18 1 1 A 55 55 TRP CB C 55 32.591 32.532 0.059 1
1 635 . 18 1 1 A 55 55 TRP C C 55 174.620 175.347 -0.727 1
1 636 . 18 1 1 A 56 56 ARG N N 56 122.963 124.772 -1.809 1
1 637 . 18 1 1 A 56 56 ARG H H 56 8.876 8.945 -0.069 1
1 638 . 18 1 1 A 56 56 ARG CA C 56 55.250 55.447 -0.197 1
1 639 . 18 1 1 A 56 56 ARG HA H 56 4.716 5.101 -0.385 1
1 640 . 18 1 1 A 56 56 ARG CB C 56 32.705 31.378 1.327 1
1 651 . 18 1 1 A 56 56 ARG C C 56 175.777 175.812 -0.035 1
1 652 . 18 1 1 A 57 57 VAL N N 57 119.683 121.186 -1.503 1
1 653 . 18 1 1 A 57 57 VAL H H 57 8.784 9.041 -0.257 1
1 654 . 18 1 1 A 57 57 VAL CA C 57 58.632 58.876 -0.244 1
1 655 . 18 1 1 A 57 57 VAL HA H 57 5.356 5.254 0.102 1
1 656 . 18 1 1 A 57 57 VAL CB C 57 36.354 35.532 0.822 1
1 666 . 18 1 1 A 57 57 VAL C C 57 172.758 173.773 -1.015 1
1 667 . 18 1 1 A 58 58 GLN N N 58 118.904 120.861 -1.957 1
1 668 . 18 1 1 A 58 58 GLN H H 58 8.911 9.150 -0.239 1
1 669 . 18 1 1 A 58 58 GLN CA C 58 53.324 53.975 -0.651 1
1 670 . 18 1 1 A 58 58 GLN HA H 58 5.677 5.296 0.381 1
1 671 . 18 1 1 A 58 58 GLN CB C 58 35.149 32.557 2.592 1
1 680 . 18 1 1 A 58 58 GLN C C 58 175.711 174.397 1.314 1
1 681 . 18 1 1 A 59 59 ASP N N 59 125.232 125.880 -0.648 1
1 682 . 18 1 1 A 59 59 ASP H H 59 9.274 9.231 0.043 1
1 683 . 18 1 1 A 59 59 ASP CA C 59 52.577 53.730 -1.153 1
1 684 . 18 1 1 A 59 59 ASP HA H 59 5.257 4.913 0.344 1
1 685 . 18 1 1 A 59 59 ASP CB C 59 43.563 42.052 1.511 1
1 688 . 18 1 1 A 59 59 ASP C C 59 178.615 177.096 1.519 1
1 689 . 18 1 1 A 60 60 ARG N N 60 117.439 125.829 -8.390 1
1 690 . 18 1 1 A 60 60 ARG H H 60 9.177 8.824 0.353 1
1 691 . 18 1 1 A 60 60 ARG CA C 60 57.908 58.676 -0.768 1
1 692 . 18 1 1 A 60 60 ARG HA H 60 3.987 3.986 0.001 1
1 693 . 18 1 1 A 60 60 ARG CB C 60 29.590 29.692 -0.102 1
1 702 . 18 1 1 A 60 60 ARG C C 60 176.395 177.774 -1.379 1
1 703 . 18 1 1 A 61 61 ASN N N 61 117.081 113.748 3.333 1
1 704 . 18 1 1 A 61 61 ASN H H 61 8.294 7.716 0.578 1
1 705 . 18 1 1 A 61 61 ASN CA C 61 53.024 54.030 -1.006 1
1 706 . 18 1 1 A 61 61 ASN HA H 61 4.852 4.496 0.356 1
1 707 . 18 1 1 A 61 61 ASN CB C 61 39.662 38.962 0.700 1
1 713 . 18 1 1 A 61 61 ASN C C 61 175.197 175.346 -0.149 1
1 714 . 18 1 1 A 62 62 GLY N N 62 107.804 105.754 2.050 1
1 715 . 18 1 1 A 62 62 GLY H H 62 8.195 7.527 0.668 1
1 716 . 18 1 1 A 62 62 GLY CA C 62 45.423 45.030 0.393 1
1 717 . 18 1 1 A 62 62 GLY HA2 H 62 3.551 4.066 -0.515 1
1 718 . 18 1 1 A 62 62 GLY HA3 H 62 4.225 4.084 0.141 1
1 719 . 18 1 1 A 62 62 GLY C C 62 174.475 174.097 0.378 1
1 720 . 18 1 1 A 63 63 HIS N N 63 122.780 117.781 4.999 1
1 721 . 18 1 1 A 63 63 HIS H H 63 8.615 7.821 0.794 1
1 722 . 18 1 1 A 63 63 HIS CA C 63 55.653 54.983 0.670 1
1 723 . 18 1 1 A 63 63 HIS HA H 63 4.784 5.035 -0.251 1
1 724 . 18 1 1 A 63 63 HIS CB C 63 29.357 32.932 -3.575 1
1 731 . 18 1 1 A 63 63 HIS C C 63 173.926 174.707 -0.781 1
1 732 . 18 1 1 A 64 64 GLU N N 64 119.741 121.367 -1.626 1
1 733 . 18 1 1 A 64 64 GLU H H 64 8.681 9.065 -0.384 1
1 734 . 18 1 1 A 64 64 GLU CA C 64 53.989 54.538 -0.549 1
1 735 . 18 1 1 A 64 64 GLU HA H 64 5.835 5.379 0.456 1
1 736 . 18 1 1 A 64 64 GLU CB C 64 34.417 33.125 1.292 1
1 742 . 18 1 1 A 64 64 GLU C C 64 176.358 175.220 1.138 1
1 743 . 18 1 1 A 65 65 GLY N N 65 105.646 106.466 -0.820 1
1 744 . 18 1 1 A 65 65 GLY H H 65 8.399 7.873 0.526 1
1 745 . 18 1 1 A 65 65 GLY CA C 65 45.368 45.433 -0.065 1
1 746 . 18 1 1 A 65 65 GLY HA2 H 65 3.959 3.999 -0.040 1
1 747 . 18 1 1 A 65 65 GLY HA3 H 65 3.835 4.154 -0.319 1
1 748 . 18 1 1 A 65 65 GLY C C 65 170.819 171.095 -0.276 1
1 749 . 18 1 1 A 66 66 TYR N N 66 119.001 120.461 -1.460 1
1 750 . 18 1 1 A 66 66 TYR H H 66 8.863 8.270 0.593 1
1 751 . 18 1 1 A 66 66 TYR CA C 66 59.140 57.460 1.680 1
1 752 . 18 1 1 A 66 66 TYR HA H 66 5.317 4.996 0.321 1
1 753 . 18 1 1 A 66 66 TYR CB C 66 40.974 38.426 2.548 1
1 764 . 18 1 1 A 66 66 TYR C C 66 176.158 175.980 0.178 1
1 765 . 18 1 1 A 67 67 VAL N N 67 112.145 118.984 -6.839 1
1 766 . 18 1 1 A 67 67 VAL H H 67 9.180 8.689 0.491 1
1 767 . 18 1 1 A 67 67 VAL CA C 67 57.686 58.237 -0.551 1
1 768 . 18 1 1 A 67 67 VAL HA H 67 4.803 4.910 -0.107 1
1 769 . 18 1 1 A 67 67 VAL CB C 67 33.564 33.522 0.042 1
1 779 . 18 1 1 A 67 67 VAL C C 67 172.139 173.821 -1.682 1
1 780 . 18 1 1 A 68 68 PRO CA C 68 61.422 62.424 -1.002 1
1 781 . 18 1 1 A 68 68 PRO HA H 68 3.745 4.383 -0.638 1
1 782 . 18 1 1 A 68 68 PRO CB C 68 30.557 31.216 -0.659 1
1 791 . 18 1 1 A 68 68 PRO C C 68 178.674 177.277 1.397 1
1 792 . 18 1 1 A 69 69 SER N N 69 122.331 121.595 0.736 1
1 793 . 18 1 1 A 69 69 SER H H 69 7.791 8.567 -0.776 1
1 794 . 18 1 1 A 69 69 SER CA C 69 60.162 61.101 -0.939 1
1 795 . 18 1 1 A 69 69 SER HA H 69 2.790 3.867 -1.077 1
1 796 . 18 1 1 A 69 69 SER CB C 69 60.021 62.013 -1.992 1
1 799 . 18 1 1 A 69 69 SER C C 69 176.238 176.145 0.093 1
1 800 . 18 1 1 A 70 70 SER N N 70 114.849 116.138 -1.289 1
1 801 . 18 1 1 A 70 70 SER H H 70 7.812 7.849 -0.037 1
1 802 . 18 1 1 A 70 70 SER CA C 70 59.590 62.370 -2.780 1
1 803 . 18 1 1 A 70 70 SER HA H 70 4.095 4.059 0.036 1
1 804 . 18 1 1 A 70 70 SER CB C 70 62.885 63.184 -0.299 1
1 807 . 18 1 1 A 70 70 SER C C 70 175.286 176.533 -1.247 1
1 808 . 18 1 1 A 71 71 TYR N N 71 122.244 118.618 3.626 1
1 809 . 18 1 1 A 71 71 TYR H H 71 7.593 8.274 -0.681 1
1 810 . 18 1 1 A 71 71 TYR CA C 71 58.102 60.274 -2.172 1
1 811 . 18 1 1 A 71 71 TYR HA H 71 4.496 4.406 0.090 1
1 812 . 18 1 1 A 71 71 TYR CB C 71 37.631 39.083 -1.452 1
1 823 . 18 1 1 A 71 71 TYR C C 71 174.002 176.436 -2.434 1
1 824 . 18 1 1 A 72 72 LEU N N 72 119.079 119.203 -0.124 1
1 825 . 18 1 1 A 72 72 LEU H H 72 7.270 7.167 0.103 1
1 826 . 18 1 1 A 72 72 LEU CA C 72 53.625 55.837 -2.212 1
1 827 . 18 1 1 A 72 72 LEU HA H 72 5.388 4.385 1.003 1
1 828 . 18 1 1 A 72 72 LEU CB C 72 46.623 42.748 3.875 1
1 841 . 18 1 1 A 72 72 LEU C C 72 175.893 176.230 -0.337 1
1 842 . 18 1 1 A 73 73 VAL N N 73 116.343 118.383 -2.040 1
1 843 . 18 1 1 A 73 73 VAL H H 73 8.610 8.715 -0.105 1
1 844 . 18 1 1 A 73 73 VAL CA C 73 59.707 59.323 0.384 1
1 845 . 18 1 1 A 73 73 VAL HA H 73 4.601 4.782 -0.181 1
1 846 . 18 1 1 A 73 73 VAL CB C 73 35.811 35.363 0.448 1
1 856 . 18 1 1 A 73 73 VAL C C 73 174.186 174.431 -0.245 1
1 857 . 18 1 1 A 74 74 GLU N N 74 124.925 125.711 -0.786 1
1 858 . 18 1 1 A 74 74 GLU H H 74 8.845 8.525 0.320 1
1 859 . 18 1 1 A 74 74 GLU CA C 74 57.745 56.719 1.026 1
1 860 . 18 1 1 A 74 74 GLU HA H 74 4.363 4.422 -0.059 1
1 861 . 18 1 1 A 74 74 GLU CB C 74 30.164 30.267 -0.103 1
1 867 . 18 1 1 A 74 74 GLU C C 74 176.322 176.323 -0.001 1
1 868 . 18 1 1 A 75 75 LYS N N 75 125.959 129.566 -3.607 1
1 869 . 18 1 1 A 75 75 LYS H H 75 8.556 7.967 0.589 1
1 870 . 18 1 1 A 75 75 LYS CA C 75 57.115 57.083 0.032 1
1 871 . 18 1 1 A 75 75 LYS HA H 75 4.157 4.211 -0.054 1
1 872 . 18 1 1 A 75 75 LYS CB C 75 33.626 32.765 0.861 1
1 884 . 18 1 1 A 75 75 LYS C C 75 175.944 176.005 -0.061 1
1 885 . 18 1 1 A 76 76 SER N N 76 121.519 123.853 -2.334 1
1 886 . 18 1 1 A 76 76 SER H H 76 8.576 8.607 -0.031 1
1 887 . 18 1 1 A 76 76 SER CA C 76 56.205 57.642 -1.437 1
1 888 . 18 1 1 A 76 76 SER HA H 76 4.809 4.480 0.329 1
1 889 . 18 1 1 A 76 76 SER CB C 76 63.582 62.765 0.817 1
1 891 . 18 1 1 A 76 76 SER C C 76 172.875 174.528 -1.653 1
1 892 . 18 1 1 A 77 77 PRO CA C 77 63.453 64.244 -0.791 1
1 893 . 18 1 1 A 77 77 PRO HA H 77 4.434 4.485 -0.051 1
1 894 . 18 1 1 A 77 77 PRO CB C 77 32.104 32.068 0.036 1
1 903 . 18 1 1 A 77 77 PRO C C 77 176.734 176.210 0.524 1
1 904 . 18 1 1 A 78 78 ASN N N 78 118.087 115.625 2.462 1
1 905 . 18 1 1 A 78 78 ASN H H 78 8.434 7.796 0.638 1
1 906 . 18 1 1 A 78 78 ASN CA C 78 53.314 51.951 1.363 1
1 907 . 18 1 1 A 78 78 ASN HA H 78 4.653 5.138 -0.485 1
1 908 . 18 1 1 A 78 78 ASN CB C 78 38.823 40.852 -2.029 1
1 914 . 18 1 1 A 78 78 ASN C C 78 174.985 174.269 0.716 1
1 915 . 18 1 1 A 79 79 ASN N N 79 119.198 125.862 -6.664 1
1 916 . 18 1 1 A 79 79 ASN H H 79 8.312 8.846 -0.534 1
1 917 . 18 1 1 A 79 79 ASN CA C 79 53.379 54.148 -0.769 1
1 918 . 18 1 1 A 79 79 ASN HA H 79 4.696 4.606 0.090 1
1 919 . 18 1 1 A 79 79 ASN CB C 79 38.827 39.326 -0.499 1
1 925 . 18 1 1 A 79 79 ASN C C 79 175.132 175.467 -0.335 1
1 926 . 18 1 1 A 80 80 LEU N N 80 122.154 124.428 -2.274 1
1 927 . 18 1 1 A 80 80 LEU H H 80 8.195 8.874 -0.679 1
1 928 . 18 1 1 A 80 80 LEU CA C 80 55.523 54.202 1.321 1
1 929 . 18 1 1 A 80 80 LEU HA H 80 4.305 4.476 -0.171 1
1 930 . 18 1 1 A 80 80 LEU CB C 80 42.304 40.123 2.181 1
1 943 . 18 1 1 A 80 80 LEU C C 80 177.461 176.090 1.371 1
1 944 . 18 1 1 A 81 81 GLU N N 81 121.156 122.693 -1.537 1
1 945 . 18 1 1 A 81 81 GLU H H 81 8.341 7.868 0.473 1
1 946 . 18 1 1 A 81 81 GLU CA C 81 56.665 56.161 0.504 1
1 947 . 18 1 1 A 81 81 GLU HA H 81 4.253 4.593 -0.340 1
1 948 . 18 1 1 A 81 81 GLU CB C 81 30.219 28.190 2.029 1
1 954 . 18 1 1 A 81 81 GLU C C 81 176.365 175.382 0.983 1
1 955 . 18 1 1 A 82 82 THR N N 82 114.319 117.867 -3.548 1
1 956 . 18 1 1 A 82 82 THR H H 82 7.970 7.917 0.053 1
1 957 . 18 1 1 A 82 82 THR CA C 82 61.517 60.915 0.602 1
1 958 . 18 1 1 A 82 82 THR HA H 82 4.211 4.771 -0.560 1
1 959 . 18 1 1 A 82 82 THR CB C 82 69.881 70.323 -0.442 1
1 965 . 18 1 1 A 82 82 THR C C 82 173.812 172.551 1.261 1
1 966 . 18 1 1 A 83 83 TYR N N 83 122.614 124.426 -1.812 1
1 967 . 18 1 1 A 83 83 TYR H H 83 8.076 8.845 -0.769 1
1 968 . 18 1 1 A 83 83 TYR CA C 83 57.640 59.762 -2.122 1
1 969 . 18 1 1 A 83 83 TYR HA H 83 4.444 4.591 -0.147 1
1 970 . 18 1 1 A 83 83 TYR CB C 83 38.964 38.869 0.095 1
1 981 . 18 1 1 A 83 83 TYR C C 83 175.115 175.700 -0.585 1
1 982 . 18 1 1 A 84 84 GLU N N 84 122.790 124.009 -1.219 1
1 983 . 18 1 1 A 84 84 GLU H H 84 7.995 8.978 -0.983 1
1 984 . 18 1 1 A 84 84 GLU CA C 84 56.097 55.486 0.611 1
1 985 . 18 1 1 A 84 84 GLU HA H 84 4.227 4.955 -0.728 1
1 986 . 18 1 1 A 84 84 GLU CB C 84 30.506 30.929 -0.423 1
1 992 . 18 1 1 A 84 84 GLU C C 84 174.707 175.411 -0.704 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.365 46.036 -0.671 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.970 4.115 -0.145 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.824 4.121 -0.297 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.351 174.718 -0.367 1
1 5 . 19 1 1 A 8 8 GLU N N 8 120.458 121.747 -1.289 1
1 6 . 19 1 1 A 8 8 GLU H H 8 8.288 8.554 -0.266 1
1 7 . 19 1 1 A 8 8 GLU CA C 8 56.663 57.456 -0.793 1
1 8 . 19 1 1 A 8 8 GLU HA H 8 4.254 3.959 0.295 1
1 9 . 19 1 1 A 8 8 GLU CB C 8 30.248 28.364 1.884 1
1 15 . 19 1 1 A 8 8 GLU C C 8 176.364 175.341 1.023 1
1 16 . 19 1 1 A 9 9 ASP N N 9 120.849 115.915 4.934 1
1 17 . 19 1 1 A 9 9 ASP H H 9 8.379 8.056 0.323 1
1 18 . 19 1 1 A 9 9 ASP CA C 9 54.402 52.516 1.886 1
1 19 . 19 1 1 A 9 9 ASP HA H 9 4.543 4.893 -0.350 1
1 20 . 19 1 1 A 9 9 ASP CB C 9 41.035 43.010 -1.975 1
1 23 . 19 1 1 A 9 9 ASP C C 9 176.003 175.301 0.702 1
1 24 . 19 1 1 A 10 10 ASN N N 10 119.270 118.633 0.637 1
1 25 . 19 1 1 A 10 10 ASN H H 10 8.303 8.834 -0.531 1
1 26 . 19 1 1 A 10 10 ASN CA C 10 53.233 52.060 1.173 1
1 27 . 19 1 1 A 10 10 ASN HA H 10 4.654 5.334 -0.680 1
1 28 . 19 1 1 A 10 10 ASN CB C 10 38.832 40.888 -2.056 1
1 34 . 19 1 1 A 10 10 ASN C C 10 175.079 175.165 -0.086 1
1 35 . 19 1 1 A 11 11 ARG N N 11 120.795 118.475 2.320 1
1 36 . 19 1 1 A 11 11 ARG H H 11 8.132 8.490 -0.358 1
1 37 . 19 1 1 A 11 11 ARG CA C 11 56.092 55.041 1.051 1
1 38 . 19 1 1 A 11 11 ARG HA H 11 4.257 4.608 -0.351 1
1 39 . 19 1 1 A 11 11 ARG CB C 11 30.721 29.805 0.916 1
1 48 . 19 1 1 A 11 11 ARG C C 11 176.045 176.195 -0.150 1
1 49 . 19 1 1 A 12 12 ARG N N 12 123.167 121.883 1.284 1
1 50 . 19 1 1 A 12 12 ARG H H 12 8.222 7.427 0.795 1
1 51 . 19 1 1 A 12 12 ARG CA C 12 53.918 54.167 -0.249 1
1 52 . 19 1 1 A 12 12 ARG HA H 12 4.506 4.284 0.222 1
1 53 . 19 1 1 A 12 12 ARG CB C 12 29.923 30.566 -0.643 1
1 62 . 19 1 1 A 12 12 ARG C C 12 174.073 174.951 -0.878 1
1 63 . 19 1 1 A 13 13 PRO CA C 13 62.815 62.644 0.171 1
1 64 . 19 1 1 A 13 13 PRO HA H 13 4.255 4.581 -0.326 1
1 65 . 19 1 1 A 13 13 PRO CB C 13 31.903 32.683 -0.780 1
1 74 . 19 1 1 A 13 13 PRO C C 13 176.315 177.247 -0.932 1
1 75 . 19 1 1 A 14 14 LEU N N 14 122.009 120.145 1.864 1
1 76 . 19 1 1 A 14 14 LEU H H 14 8.090 8.760 -0.670 1
1 77 . 19 1 1 A 14 14 LEU CA C 14 55.286 57.367 -2.081 1
1 78 . 19 1 1 A 14 14 LEU HA H 14 4.065 3.932 0.133 1
1 79 . 19 1 1 A 14 14 LEU CB C 14 42.258 42.014 0.244 1
1 92 . 19 1 1 A 14 14 LEU C C 14 176.610 177.085 -0.475 1
1 93 . 19 1 1 A 15 15 TRP N N 15 120.219 118.084 2.135 1
1 94 . 19 1 1 A 15 15 TRP H H 15 7.582 7.962 -0.380 1
1 95 . 19 1 1 A 15 15 TRP CA C 15 56.114 57.227 -1.113 1
1 96 . 19 1 1 A 15 15 TRP HA H 15 4.803 4.850 -0.047 1
1 97 . 19 1 1 A 15 15 TRP CB C 15 29.845 30.607 -0.762 1
1 112 . 19 1 1 A 15 15 TRP C C 15 176.093 176.003 0.090 1
1 113 . 19 1 1 A 16 16 GLU N N 16 124.270 119.636 4.634 1
1 114 . 19 1 1 A 16 16 GLU H H 16 8.901 8.658 0.243 1
1 115 . 19 1 1 A 16 16 GLU CA C 16 54.729 53.017 1.712 1
1 116 . 19 1 1 A 16 16 GLU HA H 16 4.471 4.835 -0.364 1
1 117 . 19 1 1 A 16 16 GLU CB C 16 29.173 30.722 -1.549 1
1 123 . 19 1 1 A 16 16 GLU C C 16 175.525 176.151 -0.626 1
1 124 . 19 1 1 A 17 17 PRO CA C 17 64.535 64.186 0.349 1
1 125 . 19 1 1 A 17 17 PRO HA H 17 4.306 4.504 -0.198 1
1 126 . 19 1 1 A 17 17 PRO CB C 17 32.105 31.672 0.433 1
1 135 . 19 1 1 A 17 17 PRO C C 17 177.261 177.810 -0.549 1
1 136 . 19 1 1 A 18 18 GLU N N 18 116.089 116.828 -0.739 1
1 137 . 19 1 1 A 18 18 GLU H H 18 8.459 8.456 0.003 1
1 138 . 19 1 1 A 18 18 GLU CA C 18 57.215 59.040 -1.825 1
1 139 . 19 1 1 A 18 18 GLU HA H 18 4.203 4.203 0.000 1
1 140 . 19 1 1 A 18 18 GLU CB C 18 29.321 30.537 -1.216 1
1 146 . 19 1 1 A 18 18 GLU C C 18 176.941 176.785 0.156 1
1 147 . 19 1 1 A 19 19 GLU N N 19 120.173 119.009 1.164 1
1 148 . 19 1 1 A 19 19 GLU H H 19 7.861 7.886 -0.025 1
1 149 . 19 1 1 A 19 19 GLU CA C 19 56.170 55.714 0.456 1
1 150 . 19 1 1 A 19 19 GLU HA H 19 4.257 4.484 -0.227 1
1 151 . 19 1 1 A 19 19 GLU CB C 19 30.012 30.520 -0.508 1
1 157 . 19 1 1 A 19 19 GLU C C 19 176.182 176.312 -0.130 1
1 158 . 19 1 1 A 20 20 THR N N 20 120.847 117.556 3.291 1
1 159 . 19 1 1 A 20 20 THR H H 20 9.010 8.646 0.364 1
1 160 . 19 1 1 A 20 20 THR CA C 20 63.200 63.532 -0.332 1
1 161 . 19 1 1 A 20 20 THR HA H 20 4.188 4.263 -0.075 1
1 162 . 19 1 1 A 20 20 THR CB C 20 69.394 68.366 1.028 1
1 168 . 19 1 1 A 20 20 THR C C 20 172.501 174.230 -1.729 1
1 169 . 19 1 1 A 21 21 VAL N N 21 128.753 128.100 0.653 1
1 170 . 19 1 1 A 21 21 VAL H H 21 8.497 8.886 -0.389 1
1 171 . 19 1 1 A 21 21 VAL CA C 21 61.422 61.881 -0.459 1
1 172 . 19 1 1 A 21 21 VAL HA H 21 4.546 4.390 0.156 1
1 173 . 19 1 1 A 21 21 VAL CB C 21 33.236 32.275 0.961 1
1 183 . 19 1 1 A 21 21 VAL C C 21 175.700 175.931 -0.231 1
1 184 . 19 1 1 A 22 22 VAL N N 22 119.061 122.386 -3.325 1
1 185 . 19 1 1 A 22 22 VAL H H 22 9.159 9.306 -0.147 1
1 186 . 19 1 1 A 22 22 VAL CA C 22 57.799 59.146 -1.347 1
1 187 . 19 1 1 A 22 22 VAL HA H 22 5.187 5.160 0.027 1
1 188 . 19 1 1 A 22 22 VAL CB C 22 35.307 34.668 0.639 1
1 198 . 19 1 1 A 22 22 VAL C C 22 173.461 174.609 -1.148 1
1 199 . 19 1 1 A 23 23 ILE N N 23 120.660 123.884 -3.224 1
1 200 . 19 1 1 A 23 23 ILE H H 23 9.354 9.112 0.242 1
1 201 . 19 1 1 A 23 23 ILE CA C 23 58.793 59.889 -1.096 1
1 202 . 19 1 1 A 23 23 ILE HA H 23 5.082 5.241 -0.159 1
1 203 . 19 1 1 A 23 23 ILE CB C 23 41.289 40.999 0.290 1
1 216 . 19 1 1 A 23 23 ILE C C 23 176.270 174.934 1.336 1
1 217 . 19 1 1 A 24 24 ALA N N 24 125.421 128.370 -2.949 1
1 218 . 19 1 1 A 24 24 ALA H H 24 8.184 8.377 -0.193 1
1 219 . 19 1 1 A 24 24 ALA CA C 24 51.461 50.924 0.537 1
1 220 . 19 1 1 A 24 24 ALA HA H 24 4.982 4.966 0.016 1
1 221 . 19 1 1 A 24 24 ALA CB C 24 20.231 20.277 -0.046 1
1 225 . 19 1 1 A 24 24 ALA C C 24 178.664 178.225 0.439 1
1 226 . 19 1 1 A 25 25 LEU N N 25 126.185 125.427 0.758 1
1 227 . 19 1 1 A 25 25 LEU H H 25 9.388 8.692 0.696 1
1 228 . 19 1 1 A 25 25 LEU CA C 25 55.799 56.518 -0.719 1
1 229 . 19 1 1 A 25 25 LEU HA H 25 3.875 3.885 -0.010 1
1 230 . 19 1 1 A 25 25 LEU CB C 25 43.786 41.768 2.018 1
1 243 . 19 1 1 A 25 25 LEU C C 25 175.686 176.453 -0.767 1
1 244 . 19 1 1 A 26 26 TYR N N 26 110.488 115.384 -4.896 1
1 245 . 19 1 1 A 26 26 TYR H H 26 6.878 7.644 -0.766 1
1 246 . 19 1 1 A 26 26 TYR CA C 26 53.575 56.336 -2.761 1
1 247 . 19 1 1 A 26 26 TYR HA H 26 4.744 5.196 -0.452 1
1 248 . 19 1 1 A 26 26 TYR CB C 26 42.393 42.688 -0.295 1
1 259 . 19 1 1 A 26 26 TYR C C 26 173.800 174.359 -0.559 1
1 260 . 19 1 1 A 27 27 ASP N N 27 117.327 122.014 -4.687 1
1 261 . 19 1 1 A 27 27 ASP H H 27 8.278 8.832 -0.554 1
1 262 . 19 1 1 A 27 27 ASP CA C 27 54.522 52.945 1.577 1
1 263 . 19 1 1 A 27 27 ASP HA H 27 4.639 4.998 -0.359 1
1 264 . 19 1 1 A 27 27 ASP CB C 27 41.944 41.100 0.844 1
1 267 . 19 1 1 A 27 27 ASP C C 27 176.000 175.236 0.764 1
1 268 . 19 1 1 A 28 28 TYR N N 28 121.747 128.802 -7.055 1
1 269 . 19 1 1 A 28 28 TYR H H 28 8.724 9.243 -0.519 1
1 270 . 19 1 1 A 28 28 TYR CA C 28 57.938 59.456 -1.518 1
1 271 . 19 1 1 A 28 28 TYR HA H 28 4.934 4.815 0.119 1
1 272 . 19 1 1 A 28 28 TYR CB C 28 42.161 39.206 2.955 1
1 283 . 19 1 1 A 28 28 TYR C C 28 173.834 174.408 -0.574 1
1 284 . 19 1 1 A 29 29 GLN N N 29 126.180 125.507 0.673 1
1 285 . 19 1 1 A 29 29 GLN H H 29 7.959 8.094 -0.135 1
1 286 . 19 1 1 A 29 29 GLN CA C 29 54.153 53.988 0.165 1
1 287 . 19 1 1 A 29 29 GLN HA H 29 4.507 5.043 -0.536 1
1 288 . 19 1 1 A 29 29 GLN CB C 29 29.854 31.958 -2.104 1
1 297 . 19 1 1 A 29 29 GLN C C 29 173.966 174.457 -0.491 1
1 298 . 19 1 1 A 30 30 THR N N 30 115.009 115.921 -0.912 1
1 299 . 19 1 1 A 30 30 THR H H 30 7.982 8.542 -0.560 1
1 300 . 19 1 1 A 30 30 THR CA C 30 59.769 60.185 -0.416 1
1 301 . 19 1 1 A 30 30 THR HA H 30 4.319 4.877 -0.558 1
1 302 . 19 1 1 A 30 30 THR CB C 30 69.002 71.626 -2.624 1
1 308 . 19 1 1 A 30 30 THR C C 30 172.388 173.121 -0.733 1
1 309 . 19 1 1 A 31 31 ASN N N 31 121.715 123.836 -2.121 1
1 310 . 19 1 1 A 31 31 ASN H H 31 8.702 8.728 -0.026 1
1 311 . 19 1 1 A 31 31 ASN CA C 31 52.449 52.847 -0.398 1
1 312 . 19 1 1 A 31 31 ASN HA H 31 4.787 4.959 -0.172 1
1 313 . 19 1 1 A 31 31 ASN CB C 31 39.822 38.903 0.919 1
1 319 . 19 1 1 A 31 31 ASN C C 31 174.579 172.647 1.932 1
1 320 . 19 1 1 A 32 32 ASP N N 32 124.854 118.818 6.036 1
1 321 . 19 1 1 A 32 32 ASP H H 32 8.333 7.533 0.800 1
1 322 . 19 1 1 A 32 32 ASP CA C 32 51.996 50.655 1.341 1
1 323 . 19 1 1 A 32 32 ASP HA H 32 4.827 5.032 -0.205 1
1 324 . 19 1 1 A 32 32 ASP CB C 32 43.075 42.066 1.009 1
1 327 . 19 1 1 A 32 32 ASP C C 32 176.135 176.079 0.056 1
1 328 . 19 1 1 A 33 33 PRO CA C 33 64.451 65.445 -0.994 1
1 329 . 19 1 1 A 33 33 PRO HA H 33 4.490 4.294 0.196 1
1 330 . 19 1 1 A 33 33 PRO CB C 33 32.425 31.846 0.579 1
1 339 . 19 1 1 A 33 33 PRO C C 33 177.612 178.635 -1.023 1
1 340 . 19 1 1 A 34 34 GLN N N 34 116.032 115.378 0.654 1
1 341 . 19 1 1 A 34 34 GLN H H 34 8.906 8.629 0.277 1
1 342 . 19 1 1 A 34 34 GLN CA C 34 56.080 58.305 -2.225 1
1 343 . 19 1 1 A 34 34 GLN HA H 34 4.559 4.036 0.523 1
1 344 . 19 1 1 A 34 34 GLN CB C 34 29.488 28.091 1.397 1
1 353 . 19 1 1 A 34 34 GLN C C 34 176.811 176.425 0.386 1
1 354 . 19 1 1 A 35 35 GLU N N 35 120.585 119.760 0.825 1
1 355 . 19 1 1 A 35 35 GLU H H 35 7.905 7.890 0.015 1
1 356 . 19 1 1 A 35 35 GLU CA C 35 55.147 56.943 -1.796 1
1 357 . 19 1 1 A 35 35 GLU HA H 35 5.370 4.440 0.930 1
1 358 . 19 1 1 A 35 35 GLU CB C 35 33.394 30.115 3.279 1
1 364 . 19 1 1 A 35 35 GLU C C 35 174.508 175.517 -1.009 1
1 365 . 19 1 1 A 36 36 LEU N N 36 122.127 126.041 -3.914 1
1 366 . 19 1 1 A 36 36 LEU H H 36 7.553 8.298 -0.745 1
1 367 . 19 1 1 A 36 36 LEU CA C 36 53.375 53.432 -0.057 1
1 368 . 19 1 1 A 36 36 LEU HA H 36 4.415 5.074 -0.659 1
1 369 . 19 1 1 A 36 36 LEU CB C 36 45.685 45.002 0.683 1
1 382 . 19 1 1 A 36 36 LEU C C 36 173.533 175.344 -1.811 1
1 383 . 19 1 1 A 37 37 ALA N N 37 124.419 128.071 -3.652 1
1 384 . 19 1 1 A 37 37 ALA H H 37 7.813 8.781 -0.968 1
1 385 . 19 1 1 A 37 37 ALA CA C 37 51.854 50.932 0.922 1
1 386 . 19 1 1 A 37 37 ALA HA H 37 4.581 4.852 -0.271 1
1 387 . 19 1 1 A 37 37 ALA CB C 37 19.371 19.841 -0.470 1
1 391 . 19 1 1 A 37 37 ALA C C 37 177.822 176.604 1.218 1
1 392 . 19 1 1 A 38 38 LEU N N 38 116.787 124.200 -7.413 1
1 393 . 19 1 1 A 38 38 LEU H H 38 8.656 8.849 -0.193 1
1 394 . 19 1 1 A 38 38 LEU CA C 38 52.952 55.352 -2.400 1
1 395 . 19 1 1 A 38 38 LEU HA H 38 5.026 4.150 0.876 1
1 396 . 19 1 1 A 38 38 LEU CB C 38 45.223 42.207 3.016 1
1 409 . 19 1 1 A 38 38 LEU C C 38 177.842 176.520 1.322 1
1 410 . 19 1 1 A 39 39 ARG N N 39 123.462 124.442 -0.980 1
1 411 . 19 1 1 A 39 39 ARG H H 39 8.333 8.585 -0.252 1
1 412 . 19 1 1 A 39 39 ARG CA C 39 53.731 54.578 -0.847 1
1 413 . 19 1 1 A 39 39 ARG HA H 39 4.977 5.081 -0.104 1
1 414 . 19 1 1 A 39 39 ARG CB C 39 32.431 32.663 -0.232 1
1 423 . 19 1 1 A 39 39 ARG C C 39 174.595 176.190 -1.595 1
1 424 . 19 1 1 A 40 40 ARG N N 40 123.974 127.432 -3.458 1
1 425 . 19 1 1 A 40 40 ARG H H 40 8.899 8.776 0.123 1
1 426 . 19 1 1 A 40 40 ARG CA C 40 58.302 57.261 1.041 1
1 427 . 19 1 1 A 40 40 ARG HA H 40 3.350 4.062 -0.712 1
1 428 . 19 1 1 A 40 40 ARG CB C 40 30.480 30.359 0.121 1
1 437 . 19 1 1 A 40 40 ARG C C 40 176.432 176.991 -0.559 1
1 438 . 19 1 1 A 41 41 ASN N N 41 117.655 119.379 -1.724 1
1 439 . 19 1 1 A 41 41 ASN H H 41 9.246 8.733 0.513 1
1 440 . 19 1 1 A 41 41 ASN CA C 41 55.859 54.282 1.577 1
1 441 . 19 1 1 A 41 41 ASN HA H 41 4.227 4.310 -0.083 1
1 442 . 19 1 1 A 41 41 ASN CB C 41 37.555 37.043 0.512 1
1 448 . 19 1 1 A 41 41 ASN C C 41 174.318 173.958 0.360 1
1 449 . 19 1 1 A 42 42 GLU N N 42 122.758 117.054 5.704 1
1 450 . 19 1 1 A 42 42 GLU H H 42 8.419 7.785 0.634 1
1 451 . 19 1 1 A 42 42 GLU CA C 42 56.625 55.251 1.374 1
1 452 . 19 1 1 A 42 42 GLU HA H 42 4.445 4.828 -0.383 1
1 453 . 19 1 1 A 42 42 GLU CB C 42 29.887 33.228 -3.341 1
1 459 . 19 1 1 A 42 42 GLU C C 42 173.885 175.104 -1.219 1
1 460 . 19 1 1 A 43 43 GLU N N 43 119.431 123.251 -3.820 1
1 461 . 19 1 1 A 43 43 GLU H H 43 7.901 8.690 -0.789 1
1 462 . 19 1 1 A 43 43 GLU CA C 43 54.997 56.503 -1.506 1
1 463 . 19 1 1 A 43 43 GLU HA H 43 5.106 4.794 0.312 1
1 464 . 19 1 1 A 43 43 GLU CB C 43 32.392 30.761 1.631 1
1 470 . 19 1 1 A 43 43 GLU C C 43 175.285 175.412 -0.127 1
1 471 . 19 1 1 A 44 44 TYR N N 44 118.011 118.866 -0.855 1
1 472 . 19 1 1 A 44 44 TYR H H 44 9.196 8.870 0.326 1
1 473 . 19 1 1 A 44 44 TYR CA C 44 56.847 56.267 0.580 1
1 474 . 19 1 1 A 44 44 TYR HA H 44 4.708 4.598 0.110 1
1 475 . 19 1 1 A 44 44 TYR CB C 44 42.218 42.221 -0.003 1
1 486 . 19 1 1 A 44 44 TYR C C 44 173.315 175.078 -1.763 1
1 487 . 19 1 1 A 45 45 CYS N N 45 120.674 122.583 -1.909 1
1 488 . 19 1 1 A 45 45 CYS H H 45 8.803 7.963 0.840 1
1 489 . 19 1 1 A 45 45 CYS CA C 45 57.318 59.263 -1.945 1
1 490 . 19 1 1 A 45 45 CYS HA H 45 4.425 4.566 -0.141 1
1 491 . 19 1 1 A 45 45 CYS CB C 45 27.610 27.938 -0.328 1
1 494 . 19 1 1 A 45 45 CYS C C 45 174.817 174.197 0.620 1
1 495 . 19 1 1 A 46 46 LEU N N 46 129.242 126.337 2.905 1
1 496 . 19 1 1 A 46 46 LEU H H 46 8.803 8.486 0.317 1
1 497 . 19 1 1 A 46 46 LEU CA C 46 55.404 54.848 0.556 1
1 498 . 19 1 1 A 46 46 LEU HA H 46 4.224 4.485 -0.261 1
1 499 . 19 1 1 A 46 46 LEU CB C 46 42.929 42.329 0.600 1
1 512 . 19 1 1 A 46 46 LEU C C 46 174.895 175.673 -0.778 1
1 513 . 19 1 1 A 47 47 LEU N N 47 127.172 128.709 -1.537 1
1 514 . 19 1 1 A 47 47 LEU H H 47 8.780 9.106 -0.326 1
1 515 . 19 1 1 A 47 47 LEU CA C 47 55.322 56.926 -1.604 1
1 516 . 19 1 1 A 47 47 LEU HA H 47 4.478 4.229 0.249 1
1 517 . 19 1 1 A 47 47 LEU CB C 47 42.904 42.364 0.540 1
1 530 . 19 1 1 A 47 47 LEU C C 47 177.543 176.454 1.089 1
1 531 . 19 1 1 A 48 48 ASP N N 48 115.262 115.816 -0.554 1
1 532 . 19 1 1 A 48 48 ASP H H 48 7.516 7.644 -0.128 1
1 533 . 19 1 1 A 48 48 ASP CA C 48 54.649 54.048 0.601 1
1 534 . 19 1 1 A 48 48 ASP HA H 48 4.754 4.880 -0.126 1
1 535 . 19 1 1 A 48 48 ASP CB C 48 43.524 44.405 -0.881 1
1 538 . 19 1 1 A 48 48 ASP C C 48 175.044 175.196 -0.152 1
1 539 . 19 1 1 A 49 49 SER N N 49 123.571 119.727 3.844 1
1 540 . 19 1 1 A 49 49 SER H H 49 8.911 8.433 0.478 1
1 541 . 19 1 1 A 49 49 SER CA C 49 56.641 57.121 -0.480 1
1 542 . 19 1 1 A 49 49 SER HA H 49 4.019 4.472 -0.453 1
1 543 . 19 1 1 A 49 49 SER CB C 49 62.018 62.400 -0.382 1
1 546 . 19 1 1 A 49 49 SER C C 49 173.953 175.607 -1.654 1
1 547 . 19 1 1 A 50 50 SER N N 50 118.555 117.169 1.386 1
1 548 . 19 1 1 A 50 50 SER H H 50 8.528 8.280 0.248 1
1 549 . 19 1 1 A 50 50 SER CA C 50 61.824 61.701 0.123 1
1 550 . 19 1 1 A 50 50 SER HA H 50 4.050 4.181 -0.131 1
1 551 . 19 1 1 A 50 50 SER CB C 50 63.334 63.313 0.021 1
1 554 . 19 1 1 A 50 50 SER C C 50 175.507 174.907 0.600 1
1 555 . 19 1 1 A 51 51 GLU N N 51 123.653 120.076 3.577 1
1 556 . 19 1 1 A 51 51 GLU H H 51 8.756 8.243 0.513 1
1 557 . 19 1 1 A 51 51 GLU CA C 51 55.391 54.740 0.651 1
1 558 . 19 1 1 A 51 51 GLU HA H 51 4.690 4.795 -0.105 1
1 559 . 19 1 1 A 51 51 GLU CB C 51 30.112 31.500 -1.388 1
1 565 . 19 1 1 A 51 51 GLU C C 51 176.574 176.774 -0.200 1
1 566 . 19 1 1 A 52 52 ILE N N 52 117.495 123.336 -5.841 1
1 567 . 19 1 1 A 52 52 ILE H H 52 8.223 8.644 -0.421 1
1 568 . 19 1 1 A 52 52 ILE CA C 52 64.478 63.685 0.793 1
1 569 . 19 1 1 A 52 52 ILE HA H 52 3.946 3.993 -0.047 1
1 570 . 19 1 1 A 52 52 ILE CB C 52 38.365 37.825 0.540 1
1 583 . 19 1 1 A 52 52 ILE C C 52 178.681 177.227 1.454 1
1 584 . 19 1 1 A 53 53 HIS N N 53 116.338 117.074 -0.736 1
1 585 . 19 1 1 A 53 53 HIS H H 53 8.529 7.507 1.022 1
1 586 . 19 1 1 A 53 53 HIS CA C 53 57.974 58.696 -0.722 1
1 587 . 19 1 1 A 53 53 HIS HA H 53 4.332 4.000 0.332 1
1 588 . 19 1 1 A 53 53 HIS CB C 53 31.646 30.055 1.591 1
1 595 . 19 1 1 A 53 53 HIS C C 53 175.678 174.977 0.701 1
1 596 . 19 1 1 A 54 54 TRP N N 54 120.664 117.060 3.604 1
1 597 . 19 1 1 A 54 54 TRP H H 54 7.298 7.923 -0.625 1
1 598 . 19 1 1 A 54 54 TRP CA C 54 55.972 55.552 0.420 1
1 599 . 19 1 1 A 54 54 TRP HA H 54 5.142 5.255 -0.113 1
1 600 . 19 1 1 A 54 54 TRP CB C 54 31.957 30.768 1.189 1
1 615 . 19 1 1 A 54 54 TRP C C 54 174.289 175.903 -1.614 1
1 616 . 19 1 1 A 55 55 TRP N N 55 124.636 123.605 1.031 1
1 617 . 19 1 1 A 55 55 TRP H H 55 9.260 9.517 -0.257 1
1 618 . 19 1 1 A 55 55 TRP CA C 55 53.365 55.637 -2.272 1
1 619 . 19 1 1 A 55 55 TRP HA H 55 5.503 5.201 0.302 1
1 620 . 19 1 1 A 55 55 TRP CB C 55 32.591 32.705 -0.114 1
1 635 . 19 1 1 A 55 55 TRP C C 55 174.620 175.528 -0.908 1
1 636 . 19 1 1 A 56 56 ARG N N 56 122.963 124.757 -1.794 1
1 637 . 19 1 1 A 56 56 ARG H H 56 8.876 9.067 -0.191 1
1 638 . 19 1 1 A 56 56 ARG CA C 56 55.250 55.780 -0.530 1
1 639 . 19 1 1 A 56 56 ARG HA H 56 4.716 5.120 -0.404 1
1 640 . 19 1 1 A 56 56 ARG CB C 56 32.705 31.233 1.472 1
1 651 . 19 1 1 A 56 56 ARG C C 56 175.777 176.210 -0.433 1
1 652 . 19 1 1 A 57 57 VAL N N 57 119.683 120.046 -0.363 1
1 653 . 19 1 1 A 57 57 VAL H H 57 8.784 8.492 0.292 1
1 654 . 19 1 1 A 57 57 VAL CA C 57 58.632 58.760 -0.128 1
1 655 . 19 1 1 A 57 57 VAL HA H 57 5.356 5.258 0.098 1
1 656 . 19 1 1 A 57 57 VAL CB C 57 36.354 36.145 0.209 1
1 666 . 19 1 1 A 57 57 VAL C C 57 172.758 173.589 -0.831 1
1 667 . 19 1 1 A 58 58 GLN N N 58 118.904 120.608 -1.704 1
1 668 . 19 1 1 A 58 58 GLN H H 58 8.911 8.770 0.141 1
1 669 . 19 1 1 A 58 58 GLN CA C 58 53.324 54.233 -0.909 1
1 670 . 19 1 1 A 58 58 GLN HA H 58 5.677 5.319 0.358 1
1 671 . 19 1 1 A 58 58 GLN CB C 58 35.149 32.486 2.663 1
1 680 . 19 1 1 A 58 58 GLN C C 58 175.711 174.332 1.379 1
1 681 . 19 1 1 A 59 59 ASP N N 59 125.232 125.991 -0.759 1
1 682 . 19 1 1 A 59 59 ASP H H 59 9.274 9.078 0.196 1
1 683 . 19 1 1 A 59 59 ASP CA C 59 52.577 53.951 -1.374 1
1 684 . 19 1 1 A 59 59 ASP HA H 59 5.257 5.072 0.185 1
1 685 . 19 1 1 A 59 59 ASP CB C 59 43.563 42.164 1.399 1
1 688 . 19 1 1 A 59 59 ASP C C 59 178.615 177.240 1.375 1
1 689 . 19 1 1 A 60 60 ARG N N 60 117.439 125.871 -8.432 1
1 690 . 19 1 1 A 60 60 ARG H H 60 9.177 8.892 0.285 1
1 691 . 19 1 1 A 60 60 ARG CA C 60 57.908 59.617 -1.709 1
1 692 . 19 1 1 A 60 60 ARG HA H 60 3.987 3.915 0.072 1
1 693 . 19 1 1 A 60 60 ARG CB C 60 29.590 29.769 -0.179 1
1 702 . 19 1 1 A 60 60 ARG C C 60 176.395 177.854 -1.459 1
1 703 . 19 1 1 A 61 61 ASN N N 61 117.081 113.689 3.392 1
1 704 . 19 1 1 A 61 61 ASN H H 61 8.294 7.713 0.581 1
1 705 . 19 1 1 A 61 61 ASN CA C 61 53.024 53.538 -0.514 1
1 706 . 19 1 1 A 61 61 ASN HA H 61 4.852 4.588 0.264 1
1 707 . 19 1 1 A 61 61 ASN CB C 61 39.662 38.659 1.003 1
1 713 . 19 1 1 A 61 61 ASN C C 61 175.197 175.199 -0.002 1
1 714 . 19 1 1 A 62 62 GLY N N 62 107.804 105.457 2.347 1
1 715 . 19 1 1 A 62 62 GLY H H 62 8.195 7.589 0.606 1
1 716 . 19 1 1 A 62 62 GLY CA C 62 45.423 45.214 0.209 1
1 717 . 19 1 1 A 62 62 GLY HA2 H 62 3.551 4.037 -0.486 1
1 718 . 19 1 1 A 62 62 GLY HA3 H 62 4.225 4.053 0.172 1
1 719 . 19 1 1 A 62 62 GLY C C 62 174.475 174.813 -0.338 1
1 720 . 19 1 1 A 63 63 HIS N N 63 122.780 119.114 3.666 1
1 721 . 19 1 1 A 63 63 HIS H H 63 8.615 7.387 1.228 1
1 722 . 19 1 1 A 63 63 HIS CA C 63 55.653 57.430 -1.777 1
1 723 . 19 1 1 A 63 63 HIS HA H 63 4.784 4.481 0.303 1
1 724 . 19 1 1 A 63 63 HIS CB C 63 29.357 30.144 -0.787 1
1 731 . 19 1 1 A 63 63 HIS C C 63 173.926 174.712 -0.786 1
1 732 . 19 1 1 A 64 64 GLU N N 64 119.741 122.750 -3.009 1
1 733 . 19 1 1 A 64 64 GLU H H 64 8.681 8.812 -0.131 1
1 734 . 19 1 1 A 64 64 GLU CA C 64 53.989 54.402 -0.413 1
1 735 . 19 1 1 A 64 64 GLU HA H 64 5.835 5.317 0.518 1
1 736 . 19 1 1 A 64 64 GLU CB C 64 34.417 33.334 1.083 1
1 742 . 19 1 1 A 64 64 GLU C C 64 176.358 175.363 0.995 1
1 743 . 19 1 1 A 65 65 GLY N N 65 105.646 106.311 -0.665 1
1 744 . 19 1 1 A 65 65 GLY H H 65 8.399 7.857 0.542 1
1 745 . 19 1 1 A 65 65 GLY CA C 65 45.368 45.861 -0.493 1
1 746 . 19 1 1 A 65 65 GLY HA2 H 65 3.959 3.971 -0.012 1
1 747 . 19 1 1 A 65 65 GLY HA3 H 65 3.835 4.138 -0.303 1
1 748 . 19 1 1 A 65 65 GLY C C 65 170.819 170.964 -0.145 1
1 749 . 19 1 1 A 66 66 TYR N N 66 119.001 120.036 -1.035 1
1 750 . 19 1 1 A 66 66 TYR H H 66 8.863 7.996 0.867 1
1 751 . 19 1 1 A 66 66 TYR CA C 66 59.140 57.306 1.834 1
1 752 . 19 1 1 A 66 66 TYR HA H 66 5.317 5.196 0.121 1
1 753 . 19 1 1 A 66 66 TYR CB C 66 40.974 40.390 0.584 1
1 764 . 19 1 1 A 66 66 TYR C C 66 176.158 175.722 0.436 1
1 765 . 19 1 1 A 67 67 VAL N N 67 112.145 117.419 -5.274 1
1 766 . 19 1 1 A 67 67 VAL H H 67 9.180 8.642 0.538 1
1 767 . 19 1 1 A 67 67 VAL CA C 67 57.686 58.143 -0.457 1
1 768 . 19 1 1 A 67 67 VAL HA H 67 4.803 4.780 0.023 1
1 769 . 19 1 1 A 67 67 VAL CB C 67 33.564 34.527 -0.963 1
1 779 . 19 1 1 A 67 67 VAL C C 67 172.139 173.102 -0.963 1
1 780 . 19 1 1 A 68 68 PRO CA C 68 61.422 62.471 -1.049 1
1 781 . 19 1 1 A 68 68 PRO HA H 68 3.745 4.581 -0.836 1
1 782 . 19 1 1 A 68 68 PRO CB C 68 30.557 31.312 -0.755 1
1 791 . 19 1 1 A 68 68 PRO C C 68 178.674 177.267 1.407 1
1 792 . 19 1 1 A 69 69 SER N N 69 122.331 121.873 0.458 1
1 793 . 19 1 1 A 69 69 SER H H 69 7.791 8.726 -0.935 1
1 794 . 19 1 1 A 69 69 SER CA C 69 60.162 61.106 -0.944 1
1 795 . 19 1 1 A 69 69 SER HA H 69 2.790 3.897 -1.107 1
1 796 . 19 1 1 A 69 69 SER CB C 69 60.021 61.919 -1.898 1
1 799 . 19 1 1 A 69 69 SER C C 69 176.238 176.180 0.058 1
1 800 . 19 1 1 A 70 70 SER N N 70 114.849 116.453 -1.604 1
1 801 . 19 1 1 A 70 70 SER H H 70 7.812 7.924 -0.112 1
1 802 . 19 1 1 A 70 70 SER CA C 70 59.590 62.270 -2.680 1
1 803 . 19 1 1 A 70 70 SER HA H 70 4.095 4.047 0.048 1
1 804 . 19 1 1 A 70 70 SER CB C 70 62.885 62.850 0.035 1
1 807 . 19 1 1 A 70 70 SER C C 70 175.286 176.438 -1.152 1
1 808 . 19 1 1 A 71 71 TYR N N 71 122.244 119.626 2.618 1
1 809 . 19 1 1 A 71 71 TYR H H 71 7.593 8.040 -0.447 1
1 810 . 19 1 1 A 71 71 TYR CA C 71 58.102 60.363 -2.261 1
1 811 . 19 1 1 A 71 71 TYR HA H 71 4.496 4.393 0.103 1
1 812 . 19 1 1 A 71 71 TYR CB C 71 37.631 38.548 -0.917 1
1 823 . 19 1 1 A 71 71 TYR C C 71 174.002 176.491 -2.489 1
1 824 . 19 1 1 A 72 72 LEU N N 72 119.079 119.249 -0.170 1
1 825 . 19 1 1 A 72 72 LEU H H 72 7.270 7.555 -0.285 1
1 826 . 19 1 1 A 72 72 LEU CA C 72 53.625 55.647 -2.022 1
1 827 . 19 1 1 A 72 72 LEU HA H 72 5.388 4.557 0.831 1
1 828 . 19 1 1 A 72 72 LEU CB C 72 46.623 42.803 3.820 1
1 841 . 19 1 1 A 72 72 LEU C C 72 175.893 176.229 -0.336 1
1 842 . 19 1 1 A 73 73 VAL N N 73 116.343 118.317 -1.974 1
1 843 . 19 1 1 A 73 73 VAL H H 73 8.610 8.679 -0.069 1
1 844 . 19 1 1 A 73 73 VAL CA C 73 59.707 59.422 0.285 1
1 845 . 19 1 1 A 73 73 VAL HA H 73 4.601 4.764 -0.163 1
1 846 . 19 1 1 A 73 73 VAL CB C 73 35.811 35.566 0.245 1
1 856 . 19 1 1 A 73 73 VAL C C 73 174.186 174.438 -0.252 1
1 857 . 19 1 1 A 74 74 GLU N N 74 124.925 125.512 -0.587 1
1 858 . 19 1 1 A 74 74 GLU H H 74 8.845 8.529 0.316 1
1 859 . 19 1 1 A 74 74 GLU CA C 74 57.745 57.000 0.745 1
1 860 . 19 1 1 A 74 74 GLU HA H 74 4.363 4.421 -0.058 1
1 861 . 19 1 1 A 74 74 GLU CB C 74 30.164 30.366 -0.202 1
1 867 . 19 1 1 A 74 74 GLU C C 74 176.322 176.409 -0.087 1
1 868 . 19 1 1 A 75 75 LYS N N 75 125.959 129.430 -3.471 1
1 869 . 19 1 1 A 75 75 LYS H H 75 8.556 7.858 0.698 1
1 870 . 19 1 1 A 75 75 LYS CA C 75 57.115 57.485 -0.370 1
1 871 . 19 1 1 A 75 75 LYS HA H 75 4.157 4.235 -0.078 1
1 872 . 19 1 1 A 75 75 LYS CB C 75 33.626 32.983 0.643 1
1 884 . 19 1 1 A 75 75 LYS C C 75 175.944 175.825 0.119 1
1 885 . 19 1 1 A 76 76 SER N N 76 121.519 119.844 1.675 1
1 886 . 19 1 1 A 76 76 SER H H 76 8.576 8.561 0.015 1
1 887 . 19 1 1 A 76 76 SER CA C 76 56.205 55.858 0.347 1
1 888 . 19 1 1 A 76 76 SER HA H 76 4.809 5.035 -0.226 1
1 889 . 19 1 1 A 76 76 SER CB C 76 63.582 63.758 -0.176 1
1 891 . 19 1 1 A 76 76 SER C C 76 172.875 174.615 -1.740 1
1 892 . 19 1 1 A 77 77 PRO CA C 77 63.453 63.573 -0.120 1
1 893 . 19 1 1 A 77 77 PRO HA H 77 4.434 4.623 -0.189 1
1 894 . 19 1 1 A 77 77 PRO CB C 77 32.104 31.943 0.161 1
1 903 . 19 1 1 A 77 77 PRO C C 77 176.734 176.761 -0.027 1
1 904 . 19 1 1 A 78 78 ASN N N 78 118.087 116.956 1.131 1
1 905 . 19 1 1 A 78 78 ASN H H 78 8.434 7.843 0.591 1
1 906 . 19 1 1 A 78 78 ASN CA C 78 53.314 53.753 -0.439 1
1 907 . 19 1 1 A 78 78 ASN HA H 78 4.653 4.641 0.012 1
1 908 . 19 1 1 A 78 78 ASN CB C 78 38.823 39.066 -0.243 1
1 914 . 19 1 1 A 78 78 ASN C C 78 174.985 175.088 -0.103 1
1 915 . 19 1 1 A 79 79 ASN N N 79 119.198 120.445 -1.247 1
1 916 . 19 1 1 A 79 79 ASN H H 79 8.312 8.564 -0.252 1
1 917 . 19 1 1 A 79 79 ASN CA C 79 53.379 53.900 -0.521 1
1 918 . 19 1 1 A 79 79 ASN HA H 79 4.696 4.707 -0.011 1
1 919 . 19 1 1 A 79 79 ASN CB C 79 38.827 38.611 0.216 1
1 925 . 19 1 1 A 79 79 ASN C C 79 175.132 174.711 0.421 1
1 926 . 19 1 1 A 80 80 LEU N N 80 122.154 124.151 -1.997 1
1 927 . 19 1 1 A 80 80 LEU H H 80 8.195 8.420 -0.225 1
1 928 . 19 1 1 A 80 80 LEU CA C 80 55.523 53.632 1.891 1
1 929 . 19 1 1 A 80 80 LEU HA H 80 4.305 4.960 -0.655 1
1 930 . 19 1 1 A 80 80 LEU CB C 80 42.304 46.338 -4.034 1
1 943 . 19 1 1 A 80 80 LEU C C 80 177.461 174.550 2.911 1
1 944 . 19 1 1 A 81 81 GLU N N 81 121.156 124.956 -3.800 1
1 945 . 19 1 1 A 81 81 GLU H H 81 8.341 8.754 -0.413 1
1 946 . 19 1 1 A 81 81 GLU CA C 81 56.665 55.668 0.997 1
1 947 . 19 1 1 A 81 81 GLU HA H 81 4.253 4.635 -0.382 1
1 948 . 19 1 1 A 81 81 GLU CB C 81 30.219 28.642 1.577 1
1 954 . 19 1 1 A 81 81 GLU C C 81 176.365 176.942 -0.577 1
1 955 . 19 1 1 A 82 82 THR N N 82 114.319 114.735 -0.416 1
1 956 . 19 1 1 A 82 82 THR H H 82 7.970 7.815 0.155 1
1 957 . 19 1 1 A 82 82 THR CA C 82 61.517 61.845 -0.328 1
1 958 . 19 1 1 A 82 82 THR HA H 82 4.211 4.539 -0.328 1
1 959 . 19 1 1 A 82 82 THR CB C 82 69.881 69.340 0.541 1
1 965 . 19 1 1 A 82 82 THR C C 82 173.812 174.261 -0.449 1
1 966 . 19 1 1 A 83 83 TYR N N 83 122.614 123.352 -0.738 1
1 967 . 19 1 1 A 83 83 TYR H H 83 8.076 7.837 0.239 1
1 968 . 19 1 1 A 83 83 TYR CA C 83 57.640 58.277 -0.637 1
1 969 . 19 1 1 A 83 83 TYR HA H 83 4.444 4.438 0.006 1
1 970 . 19 1 1 A 83 83 TYR CB C 83 38.964 38.588 0.376 1
1 981 . 19 1 1 A 83 83 TYR C C 83 175.115 175.335 -0.220 1
1 982 . 19 1 1 A 84 84 GLU N N 84 122.790 120.575 2.215 1
1 983 . 19 1 1 A 84 84 GLU H H 84 7.995 8.452 -0.457 1
1 984 . 19 1 1 A 84 84 GLU CA C 84 56.097 54.866 1.231 1
1 985 . 19 1 1 A 84 84 GLU HA H 84 4.227 4.621 -0.394 1
1 986 . 19 1 1 A 84 84 GLU CB C 84 30.506 31.905 -1.399 1
1 992 . 19 1 1 A 84 84 GLU C C 84 174.707 176.095 -1.388 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.365 44.947 0.418 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.970 4.124 -0.154 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.824 4.124 -0.300 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.351 174.831 -0.480 1
1 5 . 20 1 1 A 8 8 GLU N N 8 120.458 119.837 0.621 1
1 6 . 20 1 1 A 8 8 GLU H H 8 8.288 8.839 -0.551 1
1 7 . 20 1 1 A 8 8 GLU CA C 8 56.663 58.035 -1.372 1
1 8 . 20 1 1 A 8 8 GLU HA H 8 4.254 4.347 -0.093 1
1 9 . 20 1 1 A 8 8 GLU CB C 8 30.248 30.619 -0.371 1
1 15 . 20 1 1 A 8 8 GLU C C 8 176.364 175.389 0.975 1
1 16 . 20 1 1 A 9 9 ASP N N 9 120.849 119.063 1.786 1
1 17 . 20 1 1 A 9 9 ASP H H 9 8.379 7.995 0.384 1
1 18 . 20 1 1 A 9 9 ASP CA C 9 54.402 52.926 1.476 1
1 19 . 20 1 1 A 9 9 ASP HA H 9 4.543 4.860 -0.317 1
1 20 . 20 1 1 A 9 9 ASP CB C 9 41.035 42.167 -1.132 1
1 23 . 20 1 1 A 9 9 ASP C C 9 176.003 175.678 0.325 1
1 24 . 20 1 1 A 10 10 ASN N N 10 119.270 121.312 -2.042 1
1 25 . 20 1 1 A 10 10 ASN H H 10 8.303 8.849 -0.546 1
1 26 . 20 1 1 A 10 10 ASN CA C 10 53.233 53.791 -0.558 1
1 27 . 20 1 1 A 10 10 ASN HA H 10 4.654 4.902 -0.248 1
1 28 . 20 1 1 A 10 10 ASN CB C 10 38.832 39.779 -0.947 1
1 34 . 20 1 1 A 10 10 ASN C C 10 175.079 175.104 -0.025 1
1 35 . 20 1 1 A 11 11 ARG N N 11 120.795 117.601 3.194 1
1 36 . 20 1 1 A 11 11 ARG H H 11 8.132 7.645 0.487 1
1 37 . 20 1 1 A 11 11 ARG CA C 11 56.092 53.902 2.190 1
1 38 . 20 1 1 A 11 11 ARG HA H 11 4.257 4.766 -0.509 1
1 39 . 20 1 1 A 11 11 ARG CB C 11 30.721 34.618 -3.897 1
1 48 . 20 1 1 A 11 11 ARG C C 11 176.045 175.432 0.613 1
1 49 . 20 1 1 A 12 12 ARG N N 12 123.167 120.991 2.176 1
1 50 . 20 1 1 A 12 12 ARG H H 12 8.222 8.249 -0.027 1
1 51 . 20 1 1 A 12 12 ARG CA C 12 53.918 54.181 -0.263 1
1 52 . 20 1 1 A 12 12 ARG HA H 12 4.506 4.697 -0.191 1
1 53 . 20 1 1 A 12 12 ARG CB C 12 29.923 29.820 0.103 1
1 62 . 20 1 1 A 12 12 ARG C C 12 174.073 174.298 -0.225 1
1 63 . 20 1 1 A 13 13 PRO CA C 13 62.815 62.843 -0.028 1
1 64 . 20 1 1 A 13 13 PRO HA H 13 4.255 4.557 -0.302 1
1 65 . 20 1 1 A 13 13 PRO CB C 13 31.903 32.428 -0.525 1
1 74 . 20 1 1 A 13 13 PRO C C 13 176.315 177.573 -1.258 1
1 75 . 20 1 1 A 14 14 LEU N N 14 122.009 122.191 -0.182 1
1 76 . 20 1 1 A 14 14 LEU H H 14 8.090 8.397 -0.307 1
1 77 . 20 1 1 A 14 14 LEU CA C 14 55.286 57.849 -2.563 1
1 78 . 20 1 1 A 14 14 LEU HA H 14 4.065 3.717 0.348 1
1 79 . 20 1 1 A 14 14 LEU CB C 14 42.258 41.682 0.576 1
1 92 . 20 1 1 A 14 14 LEU C C 14 176.610 177.544 -0.934 1
1 93 . 20 1 1 A 15 15 TRP N N 15 120.219 118.789 1.430 1
1 94 . 20 1 1 A 15 15 TRP H H 15 7.582 7.107 0.475 1
1 95 . 20 1 1 A 15 15 TRP CA C 15 56.114 57.903 -1.789 1
1 96 . 20 1 1 A 15 15 TRP HA H 15 4.803 4.680 0.123 1
1 97 . 20 1 1 A 15 15 TRP CB C 15 29.845 29.845 0.000 1
1 112 . 20 1 1 A 15 15 TRP C C 15 176.093 176.438 -0.345 1
1 113 . 20 1 1 A 16 16 GLU N N 16 124.270 119.886 4.384 1
1 114 . 20 1 1 A 16 16 GLU H H 16 8.901 8.741 0.160 1
1 115 . 20 1 1 A 16 16 GLU CA C 16 54.729 53.435 1.294 1
1 116 . 20 1 1 A 16 16 GLU HA H 16 4.471 4.829 -0.358 1
1 117 . 20 1 1 A 16 16 GLU CB C 16 29.173 30.684 -1.511 1
1 123 . 20 1 1 A 16 16 GLU C C 16 175.525 176.357 -0.832 1
1 124 . 20 1 1 A 17 17 PRO CA C 17 64.535 65.096 -0.561 1
1 125 . 20 1 1 A 17 17 PRO HA H 17 4.306 4.358 -0.052 1
1 126 . 20 1 1 A 17 17 PRO CB C 17 32.105 31.951 0.154 1
1 135 . 20 1 1 A 17 17 PRO C C 17 177.261 178.154 -0.893 1
1 136 . 20 1 1 A 18 18 GLU N N 18 116.089 115.897 0.192 1
1 137 . 20 1 1 A 18 18 GLU H H 18 8.459 8.806 -0.347 1
1 138 . 20 1 1 A 18 18 GLU CA C 18 57.215 56.925 0.290 1
1 139 . 20 1 1 A 18 18 GLU HA H 18 4.203 4.261 -0.058 1
1 140 . 20 1 1 A 18 18 GLU CB C 18 29.321 29.049 0.272 1
1 146 . 20 1 1 A 18 18 GLU C C 18 176.941 176.469 0.472 1
1 147 . 20 1 1 A 19 19 GLU N N 19 120.173 121.217 -1.044 1
1 148 . 20 1 1 A 19 19 GLU H H 19 7.861 7.876 -0.015 1
1 149 . 20 1 1 A 19 19 GLU CA C 19 56.170 54.731 1.439 1
1 150 . 20 1 1 A 19 19 GLU HA H 19 4.257 4.715 -0.458 1
1 151 . 20 1 1 A 19 19 GLU CB C 19 30.012 30.649 -0.637 1
1 157 . 20 1 1 A 19 19 GLU C C 19 176.182 176.377 -0.195 1
1 158 . 20 1 1 A 20 20 THR N N 20 120.847 118.540 2.307 1
1 159 . 20 1 1 A 20 20 THR H H 20 9.010 8.518 0.492 1
1 160 . 20 1 1 A 20 20 THR CA C 20 63.200 62.417 0.783 1
1 161 . 20 1 1 A 20 20 THR HA H 20 4.188 4.641 -0.453 1
1 162 . 20 1 1 A 20 20 THR CB C 20 69.394 69.118 0.276 1
1 168 . 20 1 1 A 20 20 THR C C 20 172.501 174.061 -1.560 1
1 169 . 20 1 1 A 21 21 VAL N N 21 128.753 128.492 0.261 1
1 170 . 20 1 1 A 21 21 VAL H H 21 8.497 9.022 -0.525 1
1 171 . 20 1 1 A 21 21 VAL CA C 21 61.422 61.212 0.210 1
1 172 . 20 1 1 A 21 21 VAL HA H 21 4.546 4.371 0.175 1
1 173 . 20 1 1 A 21 21 VAL CB C 21 33.236 33.123 0.113 1
1 183 . 20 1 1 A 21 21 VAL C C 21 175.700 175.525 0.175 1
1 184 . 20 1 1 A 22 22 VAL N N 22 119.061 121.573 -2.512 1
1 185 . 20 1 1 A 22 22 VAL H H 22 9.159 9.364 -0.205 1
1 186 . 20 1 1 A 22 22 VAL CA C 22 57.799 59.630 -1.831 1
1 187 . 20 1 1 A 22 22 VAL HA H 22 5.187 5.168 0.019 1
1 188 . 20 1 1 A 22 22 VAL CB C 22 35.307 35.357 -0.050 1
1 198 . 20 1 1 A 22 22 VAL C C 22 173.461 174.652 -1.191 1
1 199 . 20 1 1 A 23 23 ILE N N 23 120.660 121.243 -0.583 1
1 200 . 20 1 1 A 23 23 ILE H H 23 9.354 8.408 0.946 1
1 201 . 20 1 1 A 23 23 ILE CA C 23 58.793 59.912 -1.119 1
1 202 . 20 1 1 A 23 23 ILE HA H 23 5.082 5.140 -0.058 1
1 203 . 20 1 1 A 23 23 ILE CB C 23 41.289 42.035 -0.746 1
1 216 . 20 1 1 A 23 23 ILE C C 23 176.270 174.438 1.832 1
1 217 . 20 1 1 A 24 24 ALA N N 24 125.421 127.671 -2.250 1
1 218 . 20 1 1 A 24 24 ALA H H 24 8.184 8.522 -0.338 1
1 219 . 20 1 1 A 24 24 ALA CA C 24 51.461 51.465 -0.004 1
1 220 . 20 1 1 A 24 24 ALA HA H 24 4.982 4.905 0.077 1
1 221 . 20 1 1 A 24 24 ALA CB C 24 20.231 20.059 0.172 1
1 225 . 20 1 1 A 24 24 ALA C C 24 178.664 177.087 1.577 1
1 226 . 20 1 1 A 25 25 LEU N N 25 126.185 124.237 1.948 1
1 227 . 20 1 1 A 25 25 LEU H H 25 9.388 8.898 0.490 1
1 228 . 20 1 1 A 25 25 LEU CA C 25 55.799 55.539 0.260 1
1 229 . 20 1 1 A 25 25 LEU HA H 25 3.875 4.177 -0.302 1
1 230 . 20 1 1 A 25 25 LEU CB C 25 43.786 42.062 1.724 1
1 243 . 20 1 1 A 25 25 LEU C C 25 175.686 176.168 -0.482 1
1 244 . 20 1 1 A 26 26 TYR N N 26 110.488 116.231 -5.743 1
1 245 . 20 1 1 A 26 26 TYR H H 26 6.878 7.816 -0.938 1
1 246 . 20 1 1 A 26 26 TYR CA C 26 53.575 56.367 -2.792 1
1 247 . 20 1 1 A 26 26 TYR HA H 26 4.744 5.237 -0.493 1
1 248 . 20 1 1 A 26 26 TYR CB C 26 42.393 42.637 -0.244 1
1 259 . 20 1 1 A 26 26 TYR C C 26 173.800 174.645 -0.845 1
1 260 . 20 1 1 A 27 27 ASP N N 27 117.327 122.789 -5.462 1
1 261 . 20 1 1 A 27 27 ASP H H 27 8.278 8.651 -0.373 1
1 262 . 20 1 1 A 27 27 ASP CA C 27 54.522 53.606 0.916 1
1 263 . 20 1 1 A 27 27 ASP HA H 27 4.639 4.983 -0.344 1
1 264 . 20 1 1 A 27 27 ASP CB C 27 41.944 40.224 1.720 1
1 267 . 20 1 1 A 27 27 ASP C C 27 176.000 175.087 0.913 1
1 268 . 20 1 1 A 28 28 TYR N N 28 121.747 126.477 -4.730 1
1 269 . 20 1 1 A 28 28 TYR H H 28 8.724 8.866 -0.142 1
1 270 . 20 1 1 A 28 28 TYR CA C 28 57.938 59.257 -1.319 1
1 271 . 20 1 1 A 28 28 TYR HA H 28 4.934 4.806 0.128 1
1 272 . 20 1 1 A 28 28 TYR CB C 28 42.161 39.440 2.721 1
1 283 . 20 1 1 A 28 28 TYR C C 28 173.834 174.830 -0.996 1
1 284 . 20 1 1 A 29 29 GLN N N 29 126.180 122.975 3.205 1
1 285 . 20 1 1 A 29 29 GLN H H 29 7.959 7.965 -0.006 1
1 286 . 20 1 1 A 29 29 GLN CA C 29 54.153 53.873 0.280 1
1 287 . 20 1 1 A 29 29 GLN HA H 29 4.507 5.166 -0.659 1
1 288 . 20 1 1 A 29 29 GLN CB C 29 29.854 32.822 -2.968 1
1 297 . 20 1 1 A 29 29 GLN C C 29 173.966 173.893 0.073 1
1 298 . 20 1 1 A 30 30 THR N N 30 115.009 114.510 0.499 1
1 299 . 20 1 1 A 30 30 THR H H 30 7.982 8.467 -0.485 1
1 300 . 20 1 1 A 30 30 THR CA C 30 59.769 61.282 -1.513 1
1 301 . 20 1 1 A 30 30 THR HA H 30 4.319 4.686 -0.367 1
1 302 . 20 1 1 A 30 30 THR CB C 30 69.002 71.803 -2.801 1
1 308 . 20 1 1 A 30 30 THR C C 30 172.388 173.031 -0.643 1
1 309 . 20 1 1 A 31 31 ASN N N 31 121.715 125.097 -3.382 1
1 310 . 20 1 1 A 31 31 ASN H H 31 8.702 8.666 0.036 1
1 311 . 20 1 1 A 31 31 ASN CA C 31 52.449 52.954 -0.505 1
1 312 . 20 1 1 A 31 31 ASN HA H 31 4.787 4.797 -0.010 1
1 313 . 20 1 1 A 31 31 ASN CB C 31 39.822 37.435 2.387 1
1 319 . 20 1 1 A 31 31 ASN C C 31 174.579 172.951 1.628 1
1 320 . 20 1 1 A 32 32 ASP N N 32 124.854 119.002 5.852 1
1 321 . 20 1 1 A 32 32 ASP H H 32 8.333 7.466 0.867 1
1 322 . 20 1 1 A 32 32 ASP CA C 32 51.996 50.484 1.512 1
1 323 . 20 1 1 A 32 32 ASP HA H 32 4.827 5.027 -0.200 1
1 324 . 20 1 1 A 32 32 ASP CB C 32 43.075 42.441 0.634 1
1 327 . 20 1 1 A 32 32 ASP C C 32 176.135 175.887 0.248 1
1 328 . 20 1 1 A 33 33 PRO CA C 33 64.451 64.980 -0.529 1
1 329 . 20 1 1 A 33 33 PRO HA H 33 4.490 4.282 0.208 1
1 330 . 20 1 1 A 33 33 PRO CB C 33 32.425 31.965 0.460 1
1 339 . 20 1 1 A 33 33 PRO C C 33 177.612 178.588 -0.976 1
1 340 . 20 1 1 A 34 34 GLN N N 34 116.032 115.499 0.533 1
1 341 . 20 1 1 A 34 34 GLN H H 34 8.906 8.544 0.362 1
1 342 . 20 1 1 A 34 34 GLN CA C 34 56.080 57.876 -1.796 1
1 343 . 20 1 1 A 34 34 GLN HA H 34 4.559 4.063 0.496 1
1 344 . 20 1 1 A 34 34 GLN CB C 34 29.488 27.863 1.625 1
1 353 . 20 1 1 A 34 34 GLN C C 34 176.811 176.056 0.755 1
1 354 . 20 1 1 A 35 35 GLU N N 35 120.585 119.669 0.916 1
1 355 . 20 1 1 A 35 35 GLU H H 35 7.905 7.817 0.088 1
1 356 . 20 1 1 A 35 35 GLU CA C 35 55.147 54.627 0.520 1
1 357 . 20 1 1 A 35 35 GLU HA H 35 5.370 4.772 0.598 1
1 358 . 20 1 1 A 35 35 GLU CB C 35 33.394 31.639 1.755 1
1 364 . 20 1 1 A 35 35 GLU C C 35 174.508 174.938 -0.430 1
1 365 . 20 1 1 A 36 36 LEU N N 36 122.127 123.949 -1.822 1
1 366 . 20 1 1 A 36 36 LEU H H 36 7.553 8.849 -1.296 1
1 367 . 20 1 1 A 36 36 LEU CA C 36 53.375 53.369 0.006 1
1 368 . 20 1 1 A 36 36 LEU HA H 36 4.415 5.156 -0.741 1
1 369 . 20 1 1 A 36 36 LEU CB C 36 45.685 46.695 -1.010 1
1 382 . 20 1 1 A 36 36 LEU C C 36 173.533 174.395 -0.862 1
1 383 . 20 1 1 A 37 37 ALA N N 37 124.419 127.964 -3.545 1
1 384 . 20 1 1 A 37 37 ALA H H 37 7.813 8.711 -0.898 1
1 385 . 20 1 1 A 37 37 ALA CA C 37 51.854 50.886 0.968 1
1 386 . 20 1 1 A 37 37 ALA HA H 37 4.581 4.982 -0.401 1
1 387 . 20 1 1 A 37 37 ALA CB C 37 19.371 20.088 -0.717 1
1 391 . 20 1 1 A 37 37 ALA C C 37 177.822 177.397 0.425 1
1 392 . 20 1 1 A 38 38 LEU N N 38 116.787 124.085 -7.298 1
1 393 . 20 1 1 A 38 38 LEU H H 38 8.656 8.917 -0.261 1
1 394 . 20 1 1 A 38 38 LEU CA C 38 52.952 55.014 -2.062 1
1 395 . 20 1 1 A 38 38 LEU HA H 38 5.026 4.254 0.772 1
1 396 . 20 1 1 A 38 38 LEU CB C 38 45.223 42.417 2.806 1
1 409 . 20 1 1 A 38 38 LEU C C 38 177.842 176.520 1.322 1
1 410 . 20 1 1 A 39 39 ARG N N 39 123.462 121.660 1.802 1
1 411 . 20 1 1 A 39 39 ARG H H 39 8.333 8.734 -0.401 1
1 412 . 20 1 1 A 39 39 ARG CA C 39 53.731 54.323 -0.592 1
1 413 . 20 1 1 A 39 39 ARG HA H 39 4.977 5.240 -0.263 1
1 414 . 20 1 1 A 39 39 ARG CB C 39 32.431 34.116 -1.685 1
1 423 . 20 1 1 A 39 39 ARG C C 39 174.595 175.199 -0.604 1
1 424 . 20 1 1 A 40 40 ARG N N 40 123.974 127.304 -3.330 1
1 425 . 20 1 1 A 40 40 ARG H H 40 8.899 8.757 0.142 1
1 426 . 20 1 1 A 40 40 ARG CA C 40 58.302 56.972 1.330 1
1 427 . 20 1 1 A 40 40 ARG HA H 40 3.350 4.038 -0.688 1
1 428 . 20 1 1 A 40 40 ARG CB C 40 30.480 30.381 0.099 1
1 437 . 20 1 1 A 40 40 ARG C C 40 176.432 177.074 -0.642 1
1 438 . 20 1 1 A 41 41 ASN N N 41 117.655 123.873 -6.218 1
1 439 . 20 1 1 A 41 41 ASN H H 41 9.246 8.641 0.605 1
1 440 . 20 1 1 A 41 41 ASN CA C 41 55.859 53.983 1.876 1
1 441 . 20 1 1 A 41 41 ASN HA H 41 4.227 4.395 -0.168 1
1 442 . 20 1 1 A 41 41 ASN CB C 41 37.555 36.251 1.304 1
1 448 . 20 1 1 A 41 41 ASN C C 41 174.318 174.134 0.184 1
1 449 . 20 1 1 A 42 42 GLU N N 42 122.758 118.981 3.777 1
1 450 . 20 1 1 A 42 42 GLU H H 42 8.419 7.768 0.651 1
1 451 . 20 1 1 A 42 42 GLU CA C 42 56.625 55.107 1.518 1
1 452 . 20 1 1 A 42 42 GLU HA H 42 4.445 4.873 -0.428 1
1 453 . 20 1 1 A 42 42 GLU CB C 42 29.887 33.739 -3.852 1
1 459 . 20 1 1 A 42 42 GLU C C 42 173.885 175.295 -1.410 1
1 460 . 20 1 1 A 43 43 GLU N N 43 119.431 121.917 -2.486 1
1 461 . 20 1 1 A 43 43 GLU H H 43 7.901 8.655 -0.754 1
1 462 . 20 1 1 A 43 43 GLU CA C 43 54.997 56.157 -1.160 1
1 463 . 20 1 1 A 43 43 GLU HA H 43 5.106 5.067 0.039 1
1 464 . 20 1 1 A 43 43 GLU CB C 43 32.392 31.214 1.178 1
1 470 . 20 1 1 A 43 43 GLU C C 43 175.285 175.469 -0.184 1
1 471 . 20 1 1 A 44 44 TYR N N 44 118.011 119.043 -1.032 1
1 472 . 20 1 1 A 44 44 TYR H H 44 9.196 8.832 0.364 1
1 473 . 20 1 1 A 44 44 TYR CA C 44 56.847 56.317 0.530 1
1 474 . 20 1 1 A 44 44 TYR HA H 44 4.708 4.646 0.062 1
1 475 . 20 1 1 A 44 44 TYR CB C 44 42.218 42.650 -0.432 1
1 486 . 20 1 1 A 44 44 TYR C C 44 173.315 174.310 -0.995 1
1 487 . 20 1 1 A 45 45 CYS N N 45 120.674 123.721 -3.047 1
1 488 . 20 1 1 A 45 45 CYS H H 45 8.803 8.435 0.368 1
1 489 . 20 1 1 A 45 45 CYS CA C 45 57.318 58.365 -1.047 1
1 490 . 20 1 1 A 45 45 CYS HA H 45 4.425 4.758 -0.333 1
1 491 . 20 1 1 A 45 45 CYS CB C 45 27.610 29.170 -1.560 1
1 494 . 20 1 1 A 45 45 CYS C C 45 174.817 174.078 0.739 1
1 495 . 20 1 1 A 46 46 LEU N N 46 129.242 127.378 1.864 1
1 496 . 20 1 1 A 46 46 LEU H H 46 8.803 8.156 0.647 1
1 497 . 20 1 1 A 46 46 LEU CA C 46 55.404 54.838 0.566 1
1 498 . 20 1 1 A 46 46 LEU HA H 46 4.224 4.505 -0.281 1
1 499 . 20 1 1 A 46 46 LEU CB C 46 42.929 42.188 0.741 1
1 512 . 20 1 1 A 46 46 LEU C C 46 174.895 175.673 -0.778 1
1 513 . 20 1 1 A 47 47 LEU N N 47 127.172 128.852 -1.680 1
1 514 . 20 1 1 A 47 47 LEU H H 47 8.780 9.109 -0.329 1
1 515 . 20 1 1 A 47 47 LEU CA C 47 55.322 56.834 -1.512 1
1 516 . 20 1 1 A 47 47 LEU HA H 47 4.478 4.253 0.225 1
1 517 . 20 1 1 A 47 47 LEU CB C 47 42.904 42.637 0.267 1
1 530 . 20 1 1 A 47 47 LEU C C 47 177.543 176.414 1.129 1
1 531 . 20 1 1 A 48 48 ASP N N 48 115.262 116.527 -1.265 1
1 532 . 20 1 1 A 48 48 ASP H H 48 7.516 7.684 -0.168 1
1 533 . 20 1 1 A 48 48 ASP CA C 48 54.649 53.082 1.567 1
1 534 . 20 1 1 A 48 48 ASP HA H 48 4.754 4.988 -0.234 1
1 535 . 20 1 1 A 48 48 ASP CB C 48 43.524 44.897 -1.373 1
1 538 . 20 1 1 A 48 48 ASP C C 48 175.044 174.596 0.448 1
1 539 . 20 1 1 A 49 49 SER N N 49 123.571 115.945 7.626 1
1 540 . 20 1 1 A 49 49 SER H H 49 8.911 8.343 0.568 1
1 541 . 20 1 1 A 49 49 SER CA C 49 56.641 56.459 0.182 1
1 542 . 20 1 1 A 49 49 SER HA H 49 4.019 4.735 -0.716 1
1 543 . 20 1 1 A 49 49 SER CB C 49 62.018 62.477 -0.459 1
1 546 . 20 1 1 A 49 49 SER C C 49 173.953 175.445 -1.492 1
1 547 . 20 1 1 A 50 50 SER N N 50 118.555 117.578 0.977 1
1 548 . 20 1 1 A 50 50 SER H H 50 8.528 7.964 0.564 1
1 549 . 20 1 1 A 50 50 SER CA C 50 61.824 61.495 0.329 1
1 550 . 20 1 1 A 50 50 SER HA H 50 4.050 4.125 -0.075 1
1 551 . 20 1 1 A 50 50 SER CB C 50 63.334 63.398 -0.064 1
1 554 . 20 1 1 A 50 50 SER C C 50 175.507 173.761 1.746 1
1 555 . 20 1 1 A 51 51 GLU N N 51 123.653 116.956 6.697 1
1 556 . 20 1 1 A 51 51 GLU H H 51 8.756 8.117 0.639 1
1 557 . 20 1 1 A 51 51 GLU CA C 51 55.391 54.486 0.905 1
1 558 . 20 1 1 A 51 51 GLU HA H 51 4.690 4.790 -0.100 1
1 559 . 20 1 1 A 51 51 GLU CB C 51 30.112 32.572 -2.460 1
1 565 . 20 1 1 A 51 51 GLU C C 51 176.574 176.385 0.189 1
1 566 . 20 1 1 A 52 52 ILE N N 52 117.495 122.165 -4.670 1
1 567 . 20 1 1 A 52 52 ILE H H 52 8.223 8.675 -0.452 1
1 568 . 20 1 1 A 52 52 ILE CA C 52 64.478 63.545 0.933 1
1 569 . 20 1 1 A 52 52 ILE HA H 52 3.946 4.153 -0.207 1
1 570 . 20 1 1 A 52 52 ILE CB C 52 38.365 37.809 0.556 1
1 583 . 20 1 1 A 52 52 ILE C C 52 178.681 177.577 1.104 1
1 584 . 20 1 1 A 53 53 HIS N N 53 116.338 117.040 -0.702 1
1 585 . 20 1 1 A 53 53 HIS H H 53 8.529 7.600 0.929 1
1 586 . 20 1 1 A 53 53 HIS CA C 53 57.974 58.629 -0.655 1
1 587 . 20 1 1 A 53 53 HIS HA H 53 4.332 4.037 0.295 1
1 588 . 20 1 1 A 53 53 HIS CB C 53 31.646 29.437 2.209 1
1 595 . 20 1 1 A 53 53 HIS C C 53 175.678 175.125 0.553 1
1 596 . 20 1 1 A 54 54 TRP N N 54 120.664 117.158 3.506 1
1 597 . 20 1 1 A 54 54 TRP H H 54 7.298 7.990 -0.692 1
1 598 . 20 1 1 A 54 54 TRP CA C 54 55.972 55.299 0.673 1
1 599 . 20 1 1 A 54 54 TRP HA H 54 5.142 5.287 -0.145 1
1 600 . 20 1 1 A 54 54 TRP CB C 54 31.957 30.955 1.002 1
1 615 . 20 1 1 A 54 54 TRP C C 54 174.289 175.966 -1.677 1
1 616 . 20 1 1 A 55 55 TRP N N 55 124.636 123.567 1.069 1
1 617 . 20 1 1 A 55 55 TRP H H 55 9.260 9.631 -0.371 1
1 618 . 20 1 1 A 55 55 TRP CA C 55 53.365 55.679 -2.314 1
1 619 . 20 1 1 A 55 55 TRP HA H 55 5.503 5.188 0.315 1
1 620 . 20 1 1 A 55 55 TRP CB C 55 32.591 32.827 -0.236 1
1 635 . 20 1 1 A 55 55 TRP C C 55 174.620 175.593 -0.973 1
1 636 . 20 1 1 A 56 56 ARG N N 56 122.963 124.779 -1.816 1
1 637 . 20 1 1 A 56 56 ARG H H 56 8.876 9.156 -0.280 1
1 638 . 20 1 1 A 56 56 ARG CA C 56 55.250 55.789 -0.539 1
1 639 . 20 1 1 A 56 56 ARG HA H 56 4.716 4.832 -0.116 1
1 640 . 20 1 1 A 56 56 ARG CB C 56 32.705 31.290 1.415 1
1 651 . 20 1 1 A 56 56 ARG C C 56 175.777 176.121 -0.344 1
1 652 . 20 1 1 A 57 57 VAL N N 57 119.683 121.062 -1.379 1
1 653 . 20 1 1 A 57 57 VAL H H 57 8.784 8.603 0.181 1
1 654 . 20 1 1 A 57 57 VAL CA C 57 58.632 59.141 -0.509 1
1 655 . 20 1 1 A 57 57 VAL HA H 57 5.356 5.274 0.082 1
1 656 . 20 1 1 A 57 57 VAL CB C 57 36.354 35.638 0.716 1
1 666 . 20 1 1 A 57 57 VAL C C 57 172.758 173.795 -1.037 1
1 667 . 20 1 1 A 58 58 GLN N N 58 118.904 120.700 -1.796 1
1 668 . 20 1 1 A 58 58 GLN H H 58 8.911 9.134 -0.223 1
1 669 . 20 1 1 A 58 58 GLN CA C 58 53.324 54.159 -0.835 1
1 670 . 20 1 1 A 58 58 GLN HA H 58 5.677 5.579 0.098 1
1 671 . 20 1 1 A 58 58 GLN CB C 58 35.149 32.443 2.706 1
1 680 . 20 1 1 A 58 58 GLN C C 58 175.711 175.149 0.562 1
1 681 . 20 1 1 A 59 59 ASP N N 59 125.232 126.306 -1.074 1
1 682 . 20 1 1 A 59 59 ASP H H 59 9.274 8.857 0.417 1
1 683 . 20 1 1 A 59 59 ASP CA C 59 52.577 53.287 -0.710 1
1 684 . 20 1 1 A 59 59 ASP HA H 59 5.257 4.789 0.468 1
1 685 . 20 1 1 A 59 59 ASP CB C 59 43.563 41.839 1.724 1
1 688 . 20 1 1 A 59 59 ASP C C 59 178.615 177.904 0.711 1
1 689 . 20 1 1 A 60 60 ARG N N 60 117.439 118.556 -1.117 1
1 690 . 20 1 1 A 60 60 ARG H H 60 9.177 8.832 0.345 1
1 691 . 20 1 1 A 60 60 ARG CA C 60 57.908 58.541 -0.633 1
1 692 . 20 1 1 A 60 60 ARG HA H 60 3.987 3.874 0.113 1
1 693 . 20 1 1 A 60 60 ARG CB C 60 29.590 29.810 -0.220 1
1 702 . 20 1 1 A 60 60 ARG C C 60 176.395 178.276 -1.881 1
1 703 . 20 1 1 A 61 61 ASN N N 61 117.081 116.345 0.736 1
1 704 . 20 1 1 A 61 61 ASN H H 61 8.294 7.733 0.561 1
1 705 . 20 1 1 A 61 61 ASN CA C 61 53.024 53.612 -0.588 1
1 706 . 20 1 1 A 61 61 ASN HA H 61 4.852 4.513 0.339 1
1 707 . 20 1 1 A 61 61 ASN CB C 61 39.662 38.445 1.217 1
1 713 . 20 1 1 A 61 61 ASN C C 61 175.197 175.175 0.022 1
1 714 . 20 1 1 A 62 62 GLY N N 62 107.804 105.960 1.844 1
1 715 . 20 1 1 A 62 62 GLY H H 62 8.195 7.703 0.492 1
1 716 . 20 1 1 A 62 62 GLY CA C 62 45.423 45.140 0.283 1
1 717 . 20 1 1 A 62 62 GLY HA2 H 62 3.551 4.010 -0.459 1
1 718 . 20 1 1 A 62 62 GLY HA3 H 62 4.225 4.015 0.210 1
1 719 . 20 1 1 A 62 62 GLY C C 62 174.475 174.919 -0.444 1
1 720 . 20 1 1 A 63 63 HIS N N 63 122.780 119.118 3.662 1
1 721 . 20 1 1 A 63 63 HIS H H 63 8.615 7.767 0.848 1
1 722 . 20 1 1 A 63 63 HIS CA C 63 55.653 56.208 -0.555 1
1 723 . 20 1 1 A 63 63 HIS HA H 63 4.784 4.673 0.111 1
1 724 . 20 1 1 A 63 63 HIS CB C 63 29.357 31.296 -1.939 1
1 731 . 20 1 1 A 63 63 HIS C C 63 173.926 174.460 -0.534 1
1 732 . 20 1 1 A 64 64 GLU N N 64 119.741 117.699 2.042 1
1 733 . 20 1 1 A 64 64 GLU H H 64 8.681 8.853 -0.172 1
1 734 . 20 1 1 A 64 64 GLU CA C 64 53.989 55.255 -1.266 1
1 735 . 20 1 1 A 64 64 GLU HA H 64 5.835 4.961 0.874 1
1 736 . 20 1 1 A 64 64 GLU CB C 64 34.417 32.200 2.217 1
1 742 . 20 1 1 A 64 64 GLU C C 64 176.358 174.715 1.643 1
1 743 . 20 1 1 A 65 65 GLY N N 65 105.646 106.296 -0.650 1
1 744 . 20 1 1 A 65 65 GLY H H 65 8.399 7.894 0.505 1
1 745 . 20 1 1 A 65 65 GLY CA C 65 45.368 45.489 -0.121 1
1 746 . 20 1 1 A 65 65 GLY HA2 H 65 3.959 4.014 -0.055 1
1 747 . 20 1 1 A 65 65 GLY HA3 H 65 3.835 4.151 -0.316 1
1 748 . 20 1 1 A 65 65 GLY C C 65 170.819 171.270 -0.451 1
1 749 . 20 1 1 A 66 66 TYR N N 66 119.001 119.898 -0.897 1
1 750 . 20 1 1 A 66 66 TYR H H 66 8.863 8.303 0.560 1
1 751 . 20 1 1 A 66 66 TYR CA C 66 59.140 58.084 1.056 1
1 752 . 20 1 1 A 66 66 TYR HA H 66 5.317 4.947 0.370 1
1 753 . 20 1 1 A 66 66 TYR CB C 66 40.974 38.663 2.311 1
1 764 . 20 1 1 A 66 66 TYR C C 66 176.158 176.088 0.070 1
1 765 . 20 1 1 A 67 67 VAL N N 67 112.145 119.072 -6.927 1
1 766 . 20 1 1 A 67 67 VAL H H 67 9.180 8.706 0.474 1
1 767 . 20 1 1 A 67 67 VAL CA C 67 57.686 58.260 -0.574 1
1 768 . 20 1 1 A 67 67 VAL HA H 67 4.803 4.958 -0.155 1
1 769 . 20 1 1 A 67 67 VAL CB C 67 33.564 33.531 0.033 1
1 779 . 20 1 1 A 67 67 VAL C C 67 172.139 173.759 -1.620 1
1 780 . 20 1 1 A 68 68 PRO CA C 68 61.422 62.516 -1.094 1
1 781 . 20 1 1 A 68 68 PRO HA H 68 3.745 4.614 -0.869 1
1 782 . 20 1 1 A 68 68 PRO CB C 68 30.557 31.368 -0.811 1
1 791 . 20 1 1 A 68 68 PRO C C 68 178.674 177.322 1.352 1
1 792 . 20 1 1 A 69 69 SER N N 69 122.331 121.772 0.559 1
1 793 . 20 1 1 A 69 69 SER H H 69 7.791 8.780 -0.989 1
1 794 . 20 1 1 A 69 69 SER CA C 69 60.162 60.880 -0.718 1
1 795 . 20 1 1 A 69 69 SER HA H 69 2.790 3.800 -1.010 1
1 796 . 20 1 1 A 69 69 SER CB C 69 60.021 61.616 -1.595 1
1 799 . 20 1 1 A 69 69 SER C C 69 176.238 176.109 0.129 1
1 800 . 20 1 1 A 70 70 SER N N 70 114.849 116.917 -2.068 1
1 801 . 20 1 1 A 70 70 SER H H 70 7.812 7.869 -0.057 1
1 802 . 20 1 1 A 70 70 SER CA C 70 59.590 62.556 -2.966 1
1 803 . 20 1 1 A 70 70 SER HA H 70 4.095 4.017 0.078 1
1 804 . 20 1 1 A 70 70 SER CB C 70 62.885 63.225 -0.340 1
1 807 . 20 1 1 A 70 70 SER C C 70 175.286 176.493 -1.207 1
1 808 . 20 1 1 A 71 71 TYR N N 71 122.244 118.625 3.619 1
1 809 . 20 1 1 A 71 71 TYR H H 71 7.593 8.275 -0.682 1
1 810 . 20 1 1 A 71 71 TYR CA C 71 58.102 60.536 -2.434 1
1 811 . 20 1 1 A 71 71 TYR HA H 71 4.496 4.430 0.066 1
1 812 . 20 1 1 A 71 71 TYR CB C 71 37.631 38.958 -1.327 1
1 823 . 20 1 1 A 71 71 TYR C C 71 174.002 176.545 -2.543 1
1 824 . 20 1 1 A 72 72 LEU N N 72 119.079 118.935 0.144 1
1 825 . 20 1 1 A 72 72 LEU H H 72 7.270 7.572 -0.302 1
1 826 . 20 1 1 A 72 72 LEU CA C 72 53.625 55.614 -1.989 1
1 827 . 20 1 1 A 72 72 LEU HA H 72 5.388 4.616 0.772 1
1 828 . 20 1 1 A 72 72 LEU CB C 72 46.623 42.653 3.970 1
1 841 . 20 1 1 A 72 72 LEU C C 72 175.893 176.270 -0.377 1
1 842 . 20 1 1 A 73 73 VAL N N 73 116.343 118.535 -2.192 1
1 843 . 20 1 1 A 73 73 VAL H H 73 8.610 8.929 -0.319 1
1 844 . 20 1 1 A 73 73 VAL CA C 73 59.707 59.395 0.312 1
1 845 . 20 1 1 A 73 73 VAL HA H 73 4.601 4.791 -0.190 1
1 846 . 20 1 1 A 73 73 VAL CB C 73 35.811 35.287 0.524 1
1 856 . 20 1 1 A 73 73 VAL C C 73 174.186 174.454 -0.268 1
1 857 . 20 1 1 A 74 74 GLU N N 74 124.925 125.748 -0.823 1
1 858 . 20 1 1 A 74 74 GLU H H 74 8.845 8.597 0.248 1
1 859 . 20 1 1 A 74 74 GLU CA C 74 57.745 56.923 0.822 1
1 860 . 20 1 1 A 74 74 GLU HA H 74 4.363 4.370 -0.007 1
1 861 . 20 1 1 A 74 74 GLU CB C 74 30.164 30.186 -0.022 1
1 867 . 20 1 1 A 74 74 GLU C C 74 176.322 176.333 -0.011 1
1 868 . 20 1 1 A 75 75 LYS N N 75 125.959 128.898 -2.939 1
1 869 . 20 1 1 A 75 75 LYS H H 75 8.556 8.096 0.460 1
1 870 . 20 1 1 A 75 75 LYS CA C 75 57.115 57.396 -0.281 1
1 871 . 20 1 1 A 75 75 LYS HA H 75 4.157 4.293 -0.136 1
1 872 . 20 1 1 A 75 75 LYS CB C 75 33.626 33.359 0.267 1
1 884 . 20 1 1 A 75 75 LYS C C 75 175.944 176.931 -0.987 1
1 885 . 20 1 1 A 76 76 SER N N 76 121.519 123.061 -1.542 1
1 886 . 20 1 1 A 76 76 SER H H 76 8.576 8.643 -0.067 1
1 887 . 20 1 1 A 76 76 SER CA C 76 56.205 63.316 -7.111 1
1 888 . 20 1 1 A 76 76 SER HA H 76 4.809 4.340 0.469 1
1 889 . 20 1 1 A 76 76 SER CB C 76 63.582 62.311 1.271 1
1 891 . 20 1 1 A 76 76 SER C C 76 172.875 174.800 -1.925 1
1 892 . 20 1 1 A 77 77 PRO CA C 77 63.453 62.930 0.523 1
1 893 . 20 1 1 A 77 77 PRO HA H 77 4.434 4.601 -0.167 1
1 894 . 20 1 1 A 77 77 PRO CB C 77 32.104 31.671 0.433 1
1 903 . 20 1 1 A 77 77 PRO C C 77 176.734 175.359 1.375 1
1 904 . 20 1 1 A 78 78 ASN N N 78 118.087 120.887 -2.800 1
1 905 . 20 1 1 A 78 78 ASN H H 78 8.434 8.861 -0.427 1
1 906 . 20 1 1 A 78 78 ASN CA C 78 53.314 52.013 1.301 1
1 907 . 20 1 1 A 78 78 ASN HA H 78 4.653 5.155 -0.502 1
1 908 . 20 1 1 A 78 78 ASN CB C 78 38.823 41.937 -3.114 1
1 914 . 20 1 1 A 78 78 ASN C C 78 174.985 174.357 0.628 1
1 915 . 20 1 1 A 79 79 ASN N N 79 119.198 124.388 -5.190 1
1 916 . 20 1 1 A 79 79 ASN H H 79 8.312 8.764 -0.452 1
1 917 . 20 1 1 A 79 79 ASN CA C 79 53.379 53.763 -0.384 1
1 918 . 20 1 1 A 79 79 ASN HA H 79 4.696 4.693 0.003 1
1 919 . 20 1 1 A 79 79 ASN CB C 79 38.827 39.138 -0.311 1
1 925 . 20 1 1 A 79 79 ASN C C 79 175.132 174.830 0.302 1
1 926 . 20 1 1 A 80 80 LEU N N 80 122.154 128.019 -5.865 1
1 927 . 20 1 1 A 80 80 LEU H H 80 8.195 8.681 -0.486 1
1 928 . 20 1 1 A 80 80 LEU CA C 80 55.523 54.595 0.928 1
1 929 . 20 1 1 A 80 80 LEU HA H 80 4.305 4.654 -0.349 1
1 930 . 20 1 1 A 80 80 LEU CB C 80 42.304 40.352 1.952 1
1 943 . 20 1 1 A 80 80 LEU C C 80 177.461 175.323 2.138 1
1 944 . 20 1 1 A 81 81 GLU N N 81 121.156 127.252 -6.096 1
1 945 . 20 1 1 A 81 81 GLU H H 81 8.341 8.375 -0.034 1
1 946 . 20 1 1 A 81 81 GLU CA C 81 56.665 55.248 1.417 1
1 947 . 20 1 1 A 81 81 GLU HA H 81 4.253 4.876 -0.623 1
1 948 . 20 1 1 A 81 81 GLU CB C 81 30.219 31.400 -1.181 1
1 954 . 20 1 1 A 81 81 GLU C C 81 176.365 175.295 1.070 1
1 955 . 20 1 1 A 82 82 THR N N 82 114.319 122.513 -8.194 1
1 956 . 20 1 1 A 82 82 THR H H 82 7.970 8.819 -0.849 1
1 957 . 20 1 1 A 82 82 THR CA C 82 61.517 62.723 -1.206 1
1 958 . 20 1 1 A 82 82 THR HA H 82 4.211 4.526 -0.315 1
1 959 . 20 1 1 A 82 82 THR CB C 82 69.881 69.606 0.275 1
1 965 . 20 1 1 A 82 82 THR C C 82 173.812 173.528 0.284 1
1 966 . 20 1 1 A 83 83 TYR N N 83 122.614 123.574 -0.960 1
1 967 . 20 1 1 A 83 83 TYR H H 83 8.076 9.133 -1.057 1
1 968 . 20 1 1 A 83 83 TYR CA C 83 57.640 56.151 1.489 1
1 969 . 20 1 1 A 83 83 TYR HA H 83 4.444 5.269 -0.825 1
1 970 . 20 1 1 A 83 83 TYR CB C 83 38.964 43.775 -4.811 1
1 981 . 20 1 1 A 83 83 TYR C C 83 175.115 174.492 0.623 1
1 982 . 20 1 1 A 84 84 GLU N N 84 122.790 120.813 1.977 1
1 983 . 20 1 1 A 84 84 GLU H H 84 7.995 8.834 -0.839 1
1 984 . 20 1 1 A 84 84 GLU CA C 84 56.097 55.959 0.138 1
1 985 . 20 1 1 A 84 84 GLU HA H 84 4.227 4.944 -0.717 1
1 986 . 20 1 1 A 84 84 GLU CB C 84 30.506 33.106 -2.600 1
1 992 . 20 1 1 A 84 84 GLU C C 84 174.707 174.455 0.252 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 78 0.983 1
2 1 1 1 "RMS(OBS, PRED)" CA 78 1.116 1
3 1 1 1 "RMS(OBS, PRED)" CB 75 1.421 1
4 1 1 1 "RMS(OBS, PRED)" H 72 0.528 1
5 1 1 1 "RMS(OBS, PRED)" HA 81 0.373 1
6 1 1 1 "RMS(OBS, PRED)" N 72 3.242 1
7 1 2 1 "RMS(OBS, PRED)" C 78 1.051 1
8 1 2 1 "RMS(OBS, PRED)" CA 78 1.276 1
9 1 2 1 "RMS(OBS, PRED)" CB 75 1.480 1
10 1 2 1 "RMS(OBS, PRED)" H 72 0.561 1
11 1 2 1 "RMS(OBS, PRED)" HA 81 0.403 1
12 1 2 1 "RMS(OBS, PRED)" N 72 3.391 1
13 1 3 1 "RMS(OBS, PRED)" C 78 0.989 1
14 1 3 1 "RMS(OBS, PRED)" CA 78 1.137 1
15 1 3 1 "RMS(OBS, PRED)" CB 75 1.426 1
16 1 3 1 "RMS(OBS, PRED)" H 72 0.493 1
17 1 3 1 "RMS(OBS, PRED)" HA 81 0.381 1
18 1 3 1 "RMS(OBS, PRED)" N 72 3.269 1
19 1 4 1 "RMS(OBS, PRED)" C 78 0.966 1
20 1 4 1 "RMS(OBS, PRED)" CA 78 1.180 1
21 1 4 1 "RMS(OBS, PRED)" CB 75 1.439 1
22 1 4 1 "RMS(OBS, PRED)" H 72 0.512 1
23 1 4 1 "RMS(OBS, PRED)" HA 81 0.366 1
24 1 4 1 "RMS(OBS, PRED)" N 72 3.141 1
25 1 5 1 "RMS(OBS, PRED)" C 78 0.956 1
26 1 5 1 "RMS(OBS, PRED)" CA 78 1.270 1
27 1 5 1 "RMS(OBS, PRED)" CB 75 1.653 1
28 1 5 1 "RMS(OBS, PRED)" H 72 0.537 1
29 1 5 1 "RMS(OBS, PRED)" HA 81 0.401 1
30 1 5 1 "RMS(OBS, PRED)" N 72 3.291 1
31 1 6 1 "RMS(OBS, PRED)" C 78 0.958 1
32 1 6 1 "RMS(OBS, PRED)" CA 78 1.192 1
33 1 6 1 "RMS(OBS, PRED)" CB 75 1.514 1
34 1 6 1 "RMS(OBS, PRED)" H 72 0.494 1
35 1 6 1 "RMS(OBS, PRED)" HA 81 0.386 1
36 1 6 1 "RMS(OBS, PRED)" N 72 3.238 1
37 1 7 1 "RMS(OBS, PRED)" C 78 0.976 1
38 1 7 1 "RMS(OBS, PRED)" CA 78 1.160 1
39 1 7 1 "RMS(OBS, PRED)" CB 75 1.536 1
40 1 7 1 "RMS(OBS, PRED)" H 72 0.494 1
41 1 7 1 "RMS(OBS, PRED)" HA 81 0.379 1
42 1 7 1 "RMS(OBS, PRED)" N 72 3.090 1
43 1 8 1 "RMS(OBS, PRED)" C 78 0.918 1
44 1 8 1 "RMS(OBS, PRED)" CA 78 1.229 1
45 1 8 1 "RMS(OBS, PRED)" CB 75 1.456 1
46 1 8 1 "RMS(OBS, PRED)" H 72 0.519 1
47 1 8 1 "RMS(OBS, PRED)" HA 81 0.391 1
48 1 8 1 "RMS(OBS, PRED)" N 72 3.191 1
49 1 9 1 "RMS(OBS, PRED)" C 78 0.933 1
50 1 9 1 "RMS(OBS, PRED)" CA 78 1.200 1
51 1 9 1 "RMS(OBS, PRED)" CB 75 1.561 1
52 1 9 1 "RMS(OBS, PRED)" H 72 0.517 1
53 1 9 1 "RMS(OBS, PRED)" HA 81 0.391 1
54 1 9 1 "RMS(OBS, PRED)" N 72 3.137 1
55 1 10 1 "RMS(OBS, PRED)" C 78 0.995 1
56 1 10 1 "RMS(OBS, PRED)" CA 78 1.217 1
57 1 10 1 "RMS(OBS, PRED)" CB 75 1.568 1
58 1 10 1 "RMS(OBS, PRED)" H 72 0.514 1
59 1 10 1 "RMS(OBS, PRED)" HA 81 0.394 1
60 1 10 1 "RMS(OBS, PRED)" N 72 3.119 1
61 1 11 1 "RMS(OBS, PRED)" C 78 1.050 1
62 1 11 1 "RMS(OBS, PRED)" CA 78 1.253 1
63 1 11 1 "RMS(OBS, PRED)" CB 75 1.626 1
64 1 11 1 "RMS(OBS, PRED)" H 72 0.500 1
65 1 11 1 "RMS(OBS, PRED)" HA 81 0.399 1
66 1 11 1 "RMS(OBS, PRED)" N 72 3.297 1
67 1 12 1 "RMS(OBS, PRED)" C 78 1.008 1
68 1 12 1 "RMS(OBS, PRED)" CA 78 1.211 1
69 1 12 1 "RMS(OBS, PRED)" CB 75 1.510 1
70 1 12 1 "RMS(OBS, PRED)" H 72 0.570 1
71 1 12 1 "RMS(OBS, PRED)" HA 81 0.410 1
72 1 12 1 "RMS(OBS, PRED)" N 72 3.079 1
73 1 13 1 "RMS(OBS, PRED)" C 78 1.020 1
74 1 13 1 "RMS(OBS, PRED)" CA 78 1.248 1
75 1 13 1 "RMS(OBS, PRED)" CB 75 1.646 1
76 1 13 1 "RMS(OBS, PRED)" H 72 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 81 0.407 1
78 1 13 1 "RMS(OBS, PRED)" N 72 3.336 1
79 1 14 1 "RMS(OBS, PRED)" C 78 0.996 1
80 1 14 1 "RMS(OBS, PRED)" CA 78 1.263 1
81 1 14 1 "RMS(OBS, PRED)" CB 75 1.441 1
82 1 14 1 "RMS(OBS, PRED)" H 72 0.504 1
83 1 14 1 "RMS(OBS, PRED)" HA 81 0.385 1
84 1 14 1 "RMS(OBS, PRED)" N 72 3.204 1
85 1 15 1 "RMS(OBS, PRED)" C 78 0.931 1
86 1 15 1 "RMS(OBS, PRED)" CA 78 1.137 1
87 1 15 1 "RMS(OBS, PRED)" CB 75 1.445 1
88 1 15 1 "RMS(OBS, PRED)" H 72 0.515 1
89 1 15 1 "RMS(OBS, PRED)" HA 81 0.389 1
90 1 15 1 "RMS(OBS, PRED)" N 72 3.202 1
91 1 16 1 "RMS(OBS, PRED)" C 78 0.927 1
92 1 16 1 "RMS(OBS, PRED)" CA 78 1.157 1
93 1 16 1 "RMS(OBS, PRED)" CB 75 1.571 1
94 1 16 1 "RMS(OBS, PRED)" H 72 0.527 1
95 1 16 1 "RMS(OBS, PRED)" HA 81 0.391 1
96 1 16 1 "RMS(OBS, PRED)" N 72 3.379 1
97 1 17 1 "RMS(OBS, PRED)" C 78 1.026 1
98 1 17 1 "RMS(OBS, PRED)" CA 78 1.208 1
99 1 17 1 "RMS(OBS, PRED)" CB 75 1.489 1
100 1 17 1 "RMS(OBS, PRED)" H 72 0.544 1
101 1 17 1 "RMS(OBS, PRED)" HA 81 0.373 1
102 1 17 1 "RMS(OBS, PRED)" N 72 3.152 1
103 1 18 1 "RMS(OBS, PRED)" C 78 0.985 1
104 1 18 1 "RMS(OBS, PRED)" CA 78 1.103 1
105 1 18 1 "RMS(OBS, PRED)" CB 75 1.455 1
106 1 18 1 "RMS(OBS, PRED)" H 72 0.523 1
107 1 18 1 "RMS(OBS, PRED)" HA 81 0.381 1
108 1 18 1 "RMS(OBS, PRED)" N 72 3.204 1
109 1 19 1 "RMS(OBS, PRED)" C 78 1.008 1
110 1 19 1 "RMS(OBS, PRED)" CA 78 1.230 1
111 1 19 1 "RMS(OBS, PRED)" CB 75 1.421 1
112 1 19 1 "RMS(OBS, PRED)" H 72 0.498 1
113 1 19 1 "RMS(OBS, PRED)" HA 81 0.369 1
114 1 19 1 "RMS(OBS, PRED)" N 72 3.114 1
115 1 20 1 "RMS(OBS, PRED)" C 78 1.006 1
116 1 20 1 "RMS(OBS, PRED)" CA 78 1.456 1
117 1 20 1 "RMS(OBS, PRED)" CB 75 1.676 1
118 1 20 1 "RMS(OBS, PRED)" H 72 0.540 1
119 1 20 1 "RMS(OBS, PRED)" HA 81 0.397 1
120 1 20 1 "RMS(OBS, PRED)" N 72 3.363 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 7 7 GLY CA C 7 45.365 45.733 -0.368 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.970 4.079 -0.109 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.824 4.083 -0.259 2
1 4 . 1 1 A 7 7 GLY C C 7 174.351 173.950 0.401 2
1 5 . 1 1 A 8 8 GLU N N 8 120.458 120.966 -0.508 2
1 6 . 1 1 A 8 8 GLU H H 8 8.288 8.424 -0.136 2
1 7 . 1 1 A 8 8 GLU CA C 8 56.663 56.169 0.494 2
1 8 . 1 1 A 8 8 GLU HA H 8 4.254 4.535 -0.281 2
1 9 . 1 1 A 8 8 GLU CB C 8 30.248 30.819 -0.571 2
1 15 . 1 1 A 8 8 GLU C C 8 176.364 175.315 1.049 2
1 16 . 1 1 A 9 9 ASP N N 9 120.849 121.586 -0.737 2
1 17 . 1 1 A 9 9 ASP H H 9 8.379 8.478 -0.099 2
1 18 . 1 1 A 9 9 ASP CA C 9 54.402 53.669 0.733 2
1 19 . 1 1 A 9 9 ASP HA H 9 4.543 4.933 -0.389 2
1 20 . 1 1 A 9 9 ASP CB C 9 41.035 42.592 -1.557 2
1 23 . 1 1 A 9 9 ASP C C 9 176.003 175.412 0.591 2
1 24 . 1 1 A 10 10 ASN N N 10 119.270 119.901 -0.631 2
1 25 . 1 1 A 10 10 ASN H H 10 8.303 8.607 -0.304 2
1 26 . 1 1 A 10 10 ASN CA C 10 53.233 53.027 0.206 2
1 27 . 1 1 A 10 10 ASN HA H 10 4.654 4.963 -0.309 2
1 28 . 1 1 A 10 10 ASN CB C 10 38.832 39.883 -1.051 2
1 34 . 1 1 A 10 10 ASN C C 10 175.079 174.509 0.570 2
1 35 . 1 1 A 11 11 ARG N N 11 120.795 121.548 -0.753 2
1 36 . 1 1 A 11 11 ARG H H 11 8.132 8.232 -0.100 2
1 37 . 1 1 A 11 11 ARG CA C 11 56.092 55.367 0.725 2
1 38 . 1 1 A 11 11 ARG HA H 11 4.257 4.660 -0.403 2
1 39 . 1 1 A 11 11 ARG CB C 11 30.721 31.864 -1.143 2
1 48 . 1 1 A 11 11 ARG C C 11 176.045 175.185 0.860 2
1 49 . 1 1 A 12 12 ARG N N 12 123.167 122.937 0.230 2
1 50 . 1 1 A 12 12 ARG H H 12 8.222 8.375 -0.153 2
1 51 . 1 1 A 12 12 ARG CA C 12 53.918 53.571 0.347 2
1 52 . 1 1 A 12 12 ARG HA H 12 4.506 4.712 -0.205 2
1 53 . 1 1 A 12 12 ARG CB C 12 29.923 31.956 -2.033 2
1 62 . 1 1 A 12 12 ARG C C 12 174.073 174.025 0.048 2
1 63 . 1 1 A 13 13 PRO CA C 13 62.815 62.580 0.235 2
1 64 . 1 1 A 13 13 PRO HA H 13 4.255 4.664 -0.409 2
1 65 . 1 1 A 13 13 PRO CB C 13 31.903 32.953 -1.050 2
1 74 . 1 1 A 13 13 PRO C C 13 176.315 176.800 -0.485 2
1 75 . 1 1 A 14 14 LEU N N 14 122.009 119.950 2.059 2
1 76 . 1 1 A 14 14 LEU H H 14 8.090 8.749 -0.659 2
1 77 . 1 1 A 14 14 LEU CA C 14 55.286 56.573 -1.287 2
1 78 . 1 1 A 14 14 LEU HA H 14 4.065 4.153 -0.088 2
1 79 . 1 1 A 14 14 LEU CB C 14 42.258 42.437 -0.179 2
1 92 . 1 1 A 14 14 LEU C C 14 176.610 177.084 -0.474 2
1 93 . 1 1 A 15 15 TRP N N 15 120.219 117.502 2.717 2
1 94 . 1 1 A 15 15 TRP H H 15 7.582 7.876 -0.294 2
1 95 . 1 1 A 15 15 TRP CA C 15 56.114 57.335 -1.221 2
1 96 . 1 1 A 15 15 TRP HA H 15 4.803 4.862 -0.058 2
1 97 . 1 1 A 15 15 TRP CB C 15 29.845 31.110 -1.265 2
1 112 . 1 1 A 15 15 TRP C C 15 176.093 176.141 -0.048 2
1 113 . 1 1 A 16 16 GLU N N 16 124.270 119.635 4.635 2
1 114 . 1 1 A 16 16 GLU H H 16 8.901 8.655 0.246 2
1 115 . 1 1 A 16 16 GLU CA C 16 54.729 53.637 1.092 2
1 116 . 1 1 A 16 16 GLU HA H 16 4.471 4.802 -0.331 2
1 117 . 1 1 A 16 16 GLU CB C 16 29.173 30.808 -1.635 2
1 123 . 1 1 A 16 16 GLU C C 16 175.525 176.326 -0.801 2
1 124 . 1 1 A 17 17 PRO CA C 17 64.535 64.865 -0.330 2
1 125 . 1 1 A 17 17 PRO HA H 17 4.306 4.402 -0.096 2
1 126 . 1 1 A 17 17 PRO CB C 17 32.105 31.929 0.176 2
1 135 . 1 1 A 17 17 PRO C C 17 177.261 177.974 -0.713 2
1 136 . 1 1 A 18 18 GLU N N 18 116.089 116.614 -0.525 2
1 137 . 1 1 A 18 18 GLU H H 18 8.459 8.571 -0.112 2
1 138 . 1 1 A 18 18 GLU CA C 18 57.215 58.486 -1.271 2
1 139 . 1 1 A 18 18 GLU HA H 18 4.203 4.195 0.008 2
1 140 . 1 1 A 18 18 GLU CB C 18 29.321 29.446 -0.125 2
1 146 . 1 1 A 18 18 GLU C C 18 176.941 176.849 0.092 2
1 147 . 1 1 A 19 19 GLU N N 19 120.173 119.707 0.466 2
1 148 . 1 1 A 19 19 GLU H H 19 7.861 7.870 -0.009 2
1 149 . 1 1 A 19 19 GLU CA C 19 56.170 56.060 0.110 2
1 150 . 1 1 A 19 19 GLU HA H 19 4.257 4.503 -0.246 2
1 151 . 1 1 A 19 19 GLU CB C 19 30.012 30.815 -0.803 2
1 157 . 1 1 A 19 19 GLU C C 19 176.182 176.063 0.119 2
1 158 . 1 1 A 20 20 THR N N 20 120.847 118.283 2.564 2
1 159 . 1 1 A 20 20 THR H H 20 9.010 8.594 0.416 2
1 160 . 1 1 A 20 20 THR CA C 20 63.200 62.814 0.386 2
1 161 . 1 1 A 20 20 THR HA H 20 4.188 4.499 -0.311 2
1 162 . 1 1 A 20 20 THR CB C 20 69.394 68.788 0.606 2
1 168 . 1 1 A 20 20 THR C C 20 172.501 174.035 -1.534 2
1 169 . 1 1 A 21 21 VAL N N 21 128.753 128.103 0.650 2
1 170 . 1 1 A 21 21 VAL H H 21 8.497 8.825 -0.328 2
1 171 . 1 1 A 21 21 VAL CA C 21 61.422 61.391 0.031 2
1 172 . 1 1 A 21 21 VAL HA H 21 4.546 4.499 0.047 2
1 173 . 1 1 A 21 21 VAL CB C 21 33.236 32.907 0.329 2
1 183 . 1 1 A 21 21 VAL C C 21 175.700 175.663 0.037 2
1 184 . 1 1 A 22 22 VAL N N 22 119.061 121.601 -2.540 2
1 185 . 1 1 A 22 22 VAL H H 22 9.159 9.086 0.073 2
1 186 . 1 1 A 22 22 VAL CA C 22 57.799 59.251 -1.452 2
1 187 . 1 1 A 22 22 VAL HA H 22 5.187 5.327 -0.140 2
1 188 . 1 1 A 22 22 VAL CB C 22 35.307 35.265 0.042 2
1 198 . 1 1 A 22 22 VAL C C 22 173.461 174.515 -1.054 2
1 199 . 1 1 A 23 23 ILE N N 23 120.660 122.388 -1.729 2
1 200 . 1 1 A 23 23 ILE H H 23 9.354 8.754 0.600 2
1 201 . 1 1 A 23 23 ILE CA C 23 58.793 59.727 -0.934 2
1 202 . 1 1 A 23 23 ILE HA H 23 5.082 5.088 -0.006 2
1 203 . 1 1 A 23 23 ILE CB C 23 41.289 41.672 -0.383 2
1 216 . 1 1 A 23 23 ILE C C 23 176.270 174.579 1.691 2
1 217 . 1 1 A 24 24 ALA N N 24 125.421 128.199 -2.778 2
1 218 . 1 1 A 24 24 ALA H H 24 8.184 8.502 -0.318 2
1 219 . 1 1 A 24 24 ALA CA C 24 51.461 51.394 0.067 2
1 220 . 1 1 A 24 24 ALA HA H 24 4.982 4.865 0.117 2
1 221 . 1 1 A 24 24 ALA CB C 24 20.231 19.739 0.492 2
1 225 . 1 1 A 24 24 ALA C C 24 178.664 177.835 0.829 2
1 226 . 1 1 A 25 25 LEU N N 25 126.185 125.099 1.086 2
1 227 . 1 1 A 25 25 LEU H H 25 9.388 8.791 0.597 2
1 228 . 1 1 A 25 25 LEU CA C 25 55.799 56.099 -0.300 2
1 229 . 1 1 A 25 25 LEU HA H 25 3.875 3.978 -0.103 2
1 230 . 1 1 A 25 25 LEU CB C 25 43.786 42.113 1.673 2
1 243 . 1 1 A 25 25 LEU C C 25 175.686 176.426 -0.740 2
1 244 . 1 1 A 26 26 TYR N N 26 110.488 115.626 -5.138 2
1 245 . 1 1 A 26 26 TYR H H 26 6.878 7.676 -0.798 2
1 246 . 1 1 A 26 26 TYR CA C 26 53.575 56.386 -2.811 2
1 247 . 1 1 A 26 26 TYR HA H 26 4.744 5.187 -0.443 2
1 248 . 1 1 A 26 26 TYR CB C 26 42.393 42.388 0.005 2
1 259 . 1 1 A 26 26 TYR C C 26 173.800 174.465 -0.665 2
1 260 . 1 1 A 27 27 ASP N N 27 117.327 122.260 -4.933 2
1 261 . 1 1 A 27 27 ASP H H 27 8.278 8.768 -0.490 2
1 262 . 1 1 A 27 27 ASP CA C 27 54.522 53.505 1.017 2
1 263 . 1 1 A 27 27 ASP HA H 27 4.639 5.074 -0.435 2
1 264 . 1 1 A 27 27 ASP CB C 27 41.944 40.801 1.143 2
1 267 . 1 1 A 27 27 ASP C C 27 176.000 175.040 0.960 2
1 268 . 1 1 A 28 28 TYR N N 28 121.747 127.090 -5.343 2
1 269 . 1 1 A 28 28 TYR H H 28 8.724 9.054 -0.330 2
1 270 . 1 1 A 28 28 TYR CA C 28 57.938 59.039 -1.101 2
1 271 . 1 1 A 28 28 TYR HA H 28 4.934 4.870 0.064 2
1 272 . 1 1 A 28 28 TYR CB C 28 42.161 39.520 2.641 2
1 283 . 1 1 A 28 28 TYR C C 28 173.834 174.632 -0.798 2
1 284 . 1 1 A 29 29 GLN N N 29 126.180 124.513 1.667 2
1 285 . 1 1 A 29 29 GLN H H 29 7.959 8.163 -0.204 2
1 286 . 1 1 A 29 29 GLN CA C 29 54.153 53.931 0.222 2
1 287 . 1 1 A 29 29 GLN HA H 29 4.507 5.003 -0.496 2
1 288 . 1 1 A 29 29 GLN CB C 29 29.854 32.178 -2.324 2
1 297 . 1 1 A 29 29 GLN C C 29 173.966 174.070 -0.104 2
1 298 . 1 1 A 30 30 THR N N 30 115.009 115.290 -0.281 2
1 299 . 1 1 A 30 30 THR H H 30 7.982 8.490 -0.508 2
1 300 . 1 1 A 30 30 THR CA C 30 59.769 60.379 -0.610 2
1 301 . 1 1 A 30 30 THR HA H 30 4.319 4.781 -0.462 2
1 302 . 1 1 A 30 30 THR CB C 30 69.002 70.983 -1.981 2
1 308 . 1 1 A 30 30 THR C C 30 172.388 173.158 -0.770 2
1 309 . 1 1 A 31 31 ASN N N 31 121.715 123.611 -1.896 2
1 310 . 1 1 A 31 31 ASN H H 31 8.702 8.729 -0.027 2
1 311 . 1 1 A 31 31 ASN CA C 31 52.449 53.161 -0.712 2
1 312 . 1 1 A 31 31 ASN HA H 31 4.787 4.892 -0.105 2
1 313 . 1 1 A 31 31 ASN CB C 31 39.822 38.967 0.855 2
1 319 . 1 1 A 31 31 ASN C C 31 174.579 173.889 0.690 2
1 320 . 1 1 A 32 32 ASP N N 32 124.854 119.426 5.428 2
1 321 . 1 1 A 32 32 ASP H H 32 8.333 7.421 0.912 2
1 322 . 1 1 A 32 32 ASP CA C 32 51.996 51.186 0.810 2
1 323 . 1 1 A 32 32 ASP HA H 32 4.827 4.939 -0.112 2
1 324 . 1 1 A 32 32 ASP CB C 32 43.075 41.995 1.080 2
1 327 . 1 1 A 32 32 ASP C C 32 176.135 175.931 0.203 2
1 328 . 1 1 A 33 33 PRO CA C 33 64.451 64.864 -0.413 2
1 329 . 1 1 A 33 33 PRO HA H 33 4.490 4.332 0.158 2
1 330 . 1 1 A 33 33 PRO CB C 33 32.425 31.943 0.482 2
1 339 . 1 1 A 33 33 PRO C C 33 177.612 178.283 -0.671 2
1 340 . 1 1 A 34 34 GLN N N 34 116.032 116.241 -0.209 2
1 341 . 1 1 A 34 34 GLN H H 34 8.906 8.592 0.314 2
1 342 . 1 1 A 34 34 GLN CA C 34 56.080 57.923 -1.843 2
1 343 . 1 1 A 34 34 GLN HA H 34 4.559 4.100 0.459 2
1 344 . 1 1 A 34 34 GLN CB C 34 29.488 28.504 0.984 2
1 353 . 1 1 A 34 34 GLN C C 34 176.811 176.168 0.643 2
1 354 . 1 1 A 35 35 GLU N N 35 120.585 118.618 1.967 2
1 355 . 1 1 A 35 35 GLU H H 35 7.905 7.802 0.103 2
1 356 . 1 1 A 35 35 GLU CA C 35 55.147 55.378 -0.231 2
1 357 . 1 1 A 35 35 GLU HA H 35 5.370 4.719 0.651 2
1 358 . 1 1 A 35 35 GLU CB C 35 33.394 31.488 1.906 2
1 364 . 1 1 A 35 35 GLU C C 35 174.508 175.004 -0.496 2
1 365 . 1 1 A 36 36 LEU N N 36 122.127 124.757 -2.630 2
1 366 . 1 1 A 36 36 LEU H H 36 7.553 8.695 -1.142 2
1 367 . 1 1 A 36 36 LEU CA C 36 53.375 53.450 -0.075 2
1 368 . 1 1 A 36 36 LEU HA H 36 4.415 5.162 -0.747 2
1 369 . 1 1 A 36 36 LEU CB C 36 45.685 45.920 -0.235 2
1 382 . 1 1 A 36 36 LEU C C 36 173.533 174.857 -1.324 2
1 383 . 1 1 A 37 37 ALA N N 37 124.419 128.282 -3.863 2
1 384 . 1 1 A 37 37 ALA H H 37 7.813 8.758 -0.945 2
1 385 . 1 1 A 37 37 ALA CA C 37 51.854 50.922 0.932 2
1 386 . 1 1 A 37 37 ALA HA H 37 4.581 4.928 -0.347 2
1 387 . 1 1 A 37 37 ALA CB C 37 19.371 19.867 -0.496 2
1 391 . 1 1 A 37 37 ALA C C 37 177.822 177.204 0.618 2
1 392 . 1 1 A 38 38 LEU N N 38 116.787 124.083 -7.296 2
1 393 . 1 1 A 38 38 LEU H H 38 8.656 8.850 -0.194 2
1 394 . 1 1 A 38 38 LEU CA C 38 52.952 55.069 -2.117 2
1 395 . 1 1 A 38 38 LEU HA H 38 5.026 4.294 0.732 2
1 396 . 1 1 A 38 38 LEU CB C 38 45.223 42.484 2.739 2
1 409 . 1 1 A 38 38 LEU C C 38 177.842 176.423 1.419 2
1 410 . 1 1 A 39 39 ARG N N 39 123.462 122.410 1.052 2
1 411 . 1 1 A 39 39 ARG H H 39 8.333 8.871 -0.538 2
1 412 . 1 1 A 39 39 ARG CA C 39 53.731 54.337 -0.606 2
1 413 . 1 1 A 39 39 ARG HA H 39 4.977 5.179 -0.202 2
1 414 . 1 1 A 39 39 ARG CB C 39 32.431 33.876 -1.445 2
1 423 . 1 1 A 39 39 ARG C C 39 174.595 175.438 -0.843 2
1 424 . 1 1 A 40 40 ARG N N 40 123.974 127.372 -3.398 2
1 425 . 1 1 A 40 40 ARG H H 40 8.899 8.729 0.170 2
1 426 . 1 1 A 40 40 ARG CA C 40 58.302 57.651 0.651 2
1 427 . 1 1 A 40 40 ARG HA H 40 3.350 4.024 -0.674 2
1 428 . 1 1 A 40 40 ARG CB C 40 30.480 30.136 0.344 2
1 437 . 1 1 A 40 40 ARG C C 40 176.432 177.012 -0.580 2
1 438 . 1 1 A 41 41 ASN N N 41 117.655 119.731 -2.076 2
1 439 . 1 1 A 41 41 ASN H H 41 9.246 8.734 0.512 2
1 440 . 1 1 A 41 41 ASN CA C 41 55.859 54.344 1.515 2
1 441 . 1 1 A 41 41 ASN HA H 41 4.227 4.324 -0.097 2
1 442 . 1 1 A 41 41 ASN CB C 41 37.555 36.940 0.615 2
1 448 . 1 1 A 41 41 ASN C C 41 174.318 173.971 0.347 2
1 449 . 1 1 A 42 42 GLU N N 42 122.758 117.424 5.334 2
1 450 . 1 1 A 42 42 GLU H H 42 8.419 7.782 0.637 2
1 451 . 1 1 A 42 42 GLU CA C 42 56.625 55.088 1.537 2
1 452 . 1 1 A 42 42 GLU HA H 42 4.445 4.826 -0.381 2
1 453 . 1 1 A 42 42 GLU CB C 42 29.887 33.003 -3.116 2
1 459 . 1 1 A 42 42 GLU C C 42 173.885 175.276 -1.391 2
1 460 . 1 1 A 43 43 GLU N N 43 119.431 122.981 -3.550 2
1 461 . 1 1 A 43 43 GLU H H 43 7.901 8.708 -0.807 2
1 462 . 1 1 A 43 43 GLU CA C 43 54.997 56.262 -1.265 2
1 463 . 1 1 A 43 43 GLU HA H 43 5.106 4.976 0.130 2
1 464 . 1 1 A 43 43 GLU CB C 43 32.392 31.116 1.276 2
1 470 . 1 1 A 43 43 GLU C C 43 175.285 175.472 -0.187 2
1 471 . 1 1 A 44 44 TYR N N 44 118.011 119.082 -1.071 2
1 472 . 1 1 A 44 44 TYR H H 44 9.196 8.834 0.362 2
1 473 . 1 1 A 44 44 TYR CA C 44 56.847 56.373 0.474 2
1 474 . 1 1 A 44 44 TYR HA H 44 4.708 4.764 -0.056 2
1 475 . 1 1 A 44 44 TYR CB C 44 42.218 42.532 -0.314 2
1 486 . 1 1 A 44 44 TYR C C 44 173.315 174.356 -1.041 2
1 487 . 1 1 A 45 45 CYS N N 45 120.674 123.162 -2.488 2
1 488 . 1 1 A 45 45 CYS H H 45 8.803 8.518 0.285 2
1 489 . 1 1 A 45 45 CYS CA C 45 57.318 58.391 -1.073 2
1 490 . 1 1 A 45 45 CYS HA H 45 4.425 4.630 -0.205 2
1 491 . 1 1 A 45 45 CYS CB C 45 27.610 28.640 -1.030 2
1 494 . 1 1 A 45 45 CYS C C 45 174.817 174.052 0.765 2
1 495 . 1 1 A 46 46 LEU N N 46 129.242 127.624 1.618 2
1 496 . 1 1 A 46 46 LEU H H 46 8.803 8.289 0.514 2
1 497 . 1 1 A 46 46 LEU CA C 46 55.404 55.328 0.077 2
1 498 . 1 1 A 46 46 LEU HA H 46 4.224 4.401 -0.177 2
1 499 . 1 1 A 46 46 LEU CB C 46 42.929 42.206 0.723 2
1 512 . 1 1 A 46 46 LEU C C 46 174.895 175.930 -1.035 2
1 513 . 1 1 A 47 47 LEU N N 47 127.172 128.588 -1.416 2
1 514 . 1 1 A 47 47 LEU H H 47 8.780 9.023 -0.243 2
1 515 . 1 1 A 47 47 LEU CA C 47 55.322 56.940 -1.618 2
1 516 . 1 1 A 47 47 LEU HA H 47 4.478 4.229 0.249 2
1 517 . 1 1 A 47 47 LEU CB C 47 42.904 42.400 0.504 2
1 530 . 1 1 A 47 47 LEU C C 47 177.543 176.510 1.033 2
1 531 . 1 1 A 48 48 ASP N N 48 115.262 116.049 -0.787 2
1 532 . 1 1 A 48 48 ASP H H 48 7.516 7.677 -0.161 2
1 533 . 1 1 A 48 48 ASP CA C 48 54.649 53.372 1.277 2
1 534 . 1 1 A 48 48 ASP HA H 48 4.754 4.896 -0.142 2
1 535 . 1 1 A 48 48 ASP CB C 48 43.524 44.499 -0.975 2
1 538 . 1 1 A 48 48 ASP C C 48 175.044 174.803 0.241 2
1 539 . 1 1 A 49 49 SER N N 49 123.571 118.420 5.151 2
1 540 . 1 1 A 49 49 SER H H 49 8.911 8.396 0.515 2
1 541 . 1 1 A 49 49 SER CA C 49 56.641 56.717 -0.076 2
1 542 . 1 1 A 49 49 SER HA H 49 4.019 4.476 -0.457 2
1 543 . 1 1 A 49 49 SER CB C 49 62.018 62.382 -0.364 2
1 546 . 1 1 A 49 49 SER C C 49 173.953 175.362 -1.409 2
1 547 . 1 1 A 50 50 SER N N 50 118.555 117.325 1.230 2
1 548 . 1 1 A 50 50 SER H H 50 8.528 8.078 0.450 2
1 549 . 1 1 A 50 50 SER CA C 50 61.824 61.698 0.126 2
1 550 . 1 1 A 50 50 SER HA H 50 4.050 4.098 -0.048 2
1 551 . 1 1 A 50 50 SER CB C 50 63.334 63.154 0.180 2
1 554 . 1 1 A 50 50 SER C C 50 175.507 174.598 0.909 2
1 555 . 1 1 A 51 51 GLU N N 51 123.653 118.817 4.836 2
1 556 . 1 1 A 51 51 GLU H H 51 8.756 8.194 0.562 2
1 557 . 1 1 A 51 51 GLU CA C 51 55.391 55.060 0.331 2
1 558 . 1 1 A 51 51 GLU HA H 51 4.690 4.712 -0.022 2
1 559 . 1 1 A 51 51 GLU CB C 51 30.112 31.698 -1.585 2
1 565 . 1 1 A 51 51 GLU C C 51 176.574 176.399 0.175 2
1 566 . 1 1 A 52 52 ILE N N 52 117.495 122.170 -4.675 2
1 567 . 1 1 A 52 52 ILE H H 52 8.223 8.569 -0.346 2
1 568 . 1 1 A 52 52 ILE CA C 52 64.478 63.182 1.296 2
1 569 . 1 1 A 52 52 ILE HA H 52 3.946 4.237 -0.291 2
1 570 . 1 1 A 52 52 ILE CB C 52 38.365 38.264 0.101 2
1 583 . 1 1 A 52 52 ILE C C 52 178.681 177.475 1.206 2
1 584 . 1 1 A 53 53 HIS N N 53 116.338 116.875 -0.537 2
1 585 . 1 1 A 53 53 HIS H H 53 8.529 7.594 0.935 2
1 586 . 1 1 A 53 53 HIS CA C 53 57.974 58.686 -0.712 2
1 587 . 1 1 A 53 53 HIS HA H 53 4.332 4.015 0.317 2
1 588 . 1 1 A 53 53 HIS CB C 53 31.646 29.891 1.755 2
1 595 . 1 1 A 53 53 HIS C C 53 175.678 174.657 1.021 2
1 596 . 1 1 A 54 54 TRP N N 54 120.664 116.900 3.764 2
1 597 . 1 1 A 54 54 TRP H H 54 7.298 7.863 -0.565 2
1 598 . 1 1 A 54 54 TRP CA C 54 55.972 55.535 0.437 2
1 599 . 1 1 A 54 54 TRP HA H 54 5.142 5.392 -0.250 2
1 600 . 1 1 A 54 54 TRP CB C 54 31.957 31.295 0.662 2
1 615 . 1 1 A 54 54 TRP C C 54 174.289 175.511 -1.222 2
1 616 . 1 1 A 55 55 TRP N N 55 124.636 124.016 0.620 2
1 617 . 1 1 A 55 55 TRP H H 55 9.260 9.365 -0.105 2
1 618 . 1 1 A 55 55 TRP CA C 55 53.365 55.753 -2.388 2
1 619 . 1 1 A 55 55 TRP HA H 55 5.503 5.269 0.234 2
1 620 . 1 1 A 55 55 TRP CB C 55 32.591 32.416 0.175 2
1 635 . 1 1 A 55 55 TRP C C 55 174.620 175.472 -0.852 2
1 636 . 1 1 A 56 56 ARG N N 56 122.963 124.633 -1.671 2
1 637 . 1 1 A 56 56 ARG H H 56 8.876 8.929 -0.053 2
1 638 . 1 1 A 56 56 ARG CA C 56 55.250 55.559 -0.309 2
1 639 . 1 1 A 56 56 ARG HA H 56 4.716 4.987 -0.271 2
1 640 . 1 1 A 56 56 ARG CB C 56 32.705 31.398 1.307 2
1 651 . 1 1 A 56 56 ARG C C 56 175.777 175.958 -0.181 2
1 652 . 1 1 A 57 57 VAL N N 57 119.683 120.183 -0.500 2
1 653 . 1 1 A 57 57 VAL H H 57 8.784 8.765 0.019 2
1 654 . 1 1 A 57 57 VAL CA C 57 58.632 58.821 -0.189 2
1 655 . 1 1 A 57 57 VAL HA H 57 5.356 5.248 0.108 2
1 656 . 1 1 A 57 57 VAL CB C 57 36.354 36.085 0.269 2
1 666 . 1 1 A 57 57 VAL C C 57 172.758 173.606 -0.848 2
1 667 . 1 1 A 58 58 GLN N N 58 118.904 120.816 -1.912 2
1 668 . 1 1 A 58 58 GLN H H 58 8.911 8.826 0.085 2
1 669 . 1 1 A 58 58 GLN CA C 58 53.324 54.187 -0.863 2
1 670 . 1 1 A 58 58 GLN HA H 58 5.677 5.295 0.382 2
1 671 . 1 1 A 58 58 GLN CB C 58 35.149 32.401 2.748 2
1 680 . 1 1 A 58 58 GLN C C 58 175.711 174.449 1.262 2
1 681 . 1 1 A 59 59 ASP N N 59 125.232 126.317 -1.085 2
1 682 . 1 1 A 59 59 ASP H H 59 9.274 9.092 0.182 2
1 683 . 1 1 A 59 59 ASP CA C 59 52.577 53.766 -1.189 2
1 684 . 1 1 A 59 59 ASP HA H 59 5.257 4.794 0.463 2
1 685 . 1 1 A 59 59 ASP CB C 59 43.563 41.994 1.569 2
1 688 . 1 1 A 59 59 ASP C C 59 178.615 177.456 1.159 2
1 689 . 1 1 A 60 60 ARG N N 60 117.439 123.540 -6.101 2
1 690 . 1 1 A 60 60 ARG H H 60 9.177 8.833 0.344 2
1 691 . 1 1 A 60 60 ARG CA C 60 57.908 58.827 -0.919 2
1 692 . 1 1 A 60 60 ARG HA H 60 3.987 4.030 -0.043 2
1 693 . 1 1 A 60 60 ARG CB C 60 29.590 29.758 -0.168 2
1 702 . 1 1 A 60 60 ARG C C 60 176.395 177.971 -1.576 2
1 703 . 1 1 A 61 61 ASN N N 61 117.081 115.252 1.829 2
1 704 . 1 1 A 61 61 ASN H H 61 8.294 7.753 0.541 2
1 705 . 1 1 A 61 61 ASN CA C 61 53.024 54.031 -1.007 2
1 706 . 1 1 A 61 61 ASN HA H 61 4.852 4.513 0.339 2
1 707 . 1 1 A 61 61 ASN CB C 61 39.662 38.843 0.819 2
1 713 . 1 1 A 61 61 ASN C C 61 175.197 175.339 -0.142 2
1 714 . 1 1 A 62 62 GLY N N 62 107.804 105.852 1.952 2
1 715 . 1 1 A 62 62 GLY H H 62 8.195 7.505 0.690 2
1 716 . 1 1 A 62 62 GLY CA C 62 45.423 45.056 0.367 2
1 717 . 1 1 A 62 62 GLY HA2 H 62 3.551 4.059 -0.508 2
1 718 . 1 1 A 62 62 GLY HA3 H 62 4.225 4.072 0.152 2
1 719 . 1 1 A 62 62 GLY C C 62 174.475 174.360 0.115 2
1 720 . 1 1 A 63 63 HIS N N 63 122.780 118.166 4.614 2
1 721 . 1 1 A 63 63 HIS H H 63 8.615 7.809 0.806 2
1 722 . 1 1 A 63 63 HIS CA C 63 55.653 55.481 0.172 2
1 723 . 1 1 A 63 63 HIS HA H 63 4.784 4.833 -0.049 2
1 724 . 1 1 A 63 63 HIS CB C 63 29.357 31.967 -2.610 2
1 731 . 1 1 A 63 63 HIS C C 63 173.926 174.534 -0.608 2
1 732 . 1 1 A 64 64 GLU N N 64 119.741 121.207 -1.466 2
1 733 . 1 1 A 64 64 GLU H H 64 8.681 8.827 -0.146 2
1 734 . 1 1 A 64 64 GLU CA C 64 53.989 54.830 -0.841 2
1 735 . 1 1 A 64 64 GLU HA H 64 5.835 5.348 0.487 2
1 736 . 1 1 A 64 64 GLU CB C 64 34.417 32.984 1.433 2
1 742 . 1 1 A 64 64 GLU C C 64 176.358 175.479 0.879 2
1 743 . 1 1 A 65 65 GLY N N 65 105.646 107.482 -1.836 2
1 744 . 1 1 A 65 65 GLY H H 65 8.399 8.110 0.289 2
1 745 . 1 1 A 65 65 GLY CA C 65 45.368 45.500 -0.132 2
1 746 . 1 1 A 65 65 GLY HA2 H 65 3.959 3.987 -0.028 2
1 747 . 1 1 A 65 65 GLY HA3 H 65 3.835 4.142 -0.307 2
1 748 . 1 1 A 65 65 GLY C C 65 170.819 171.217 -0.398 2
1 749 . 1 1 A 66 66 TYR N N 66 119.001 120.147 -1.146 2
1 750 . 1 1 A 66 66 TYR H H 66 8.863 8.255 0.608 2
1 751 . 1 1 A 66 66 TYR CA C 66 59.140 57.959 1.181 2
1 752 . 1 1 A 66 66 TYR HA H 66 5.317 5.102 0.215 2
1 753 . 1 1 A 66 66 TYR CB C 66 40.974 39.406 1.568 2
1 764 . 1 1 A 66 66 TYR C C 66 176.158 175.968 0.190 2
1 765 . 1 1 A 67 67 VAL N N 67 112.145 118.287 -6.142 2
1 766 . 1 1 A 67 67 VAL H H 67 9.180 8.664 0.516 2
1 767 . 1 1 A 67 67 VAL CA C 67 57.686 58.242 -0.556 2
1 768 . 1 1 A 67 67 VAL HA H 67 4.803 4.971 -0.168 2
1 769 . 1 1 A 67 67 VAL CB C 67 33.564 33.925 -0.361 2
1 779 . 1 1 A 67 67 VAL C C 67 172.139 173.469 -1.330 2
1 780 . 1 1 A 68 68 PRO CA C 68 61.422 62.428 -1.006 2
1 781 . 1 1 A 68 68 PRO HA H 68 3.745 4.555 -0.810 2
1 782 . 1 1 A 68 68 PRO CB C 68 30.557 31.194 -0.637 2
1 791 . 1 1 A 68 68 PRO C C 68 178.674 177.274 1.400 2
1 792 . 1 1 A 69 69 SER N N 69 122.331 121.661 0.670 2
1 793 . 1 1 A 69 69 SER H H 69 7.791 8.523 -0.732 2
1 794 . 1 1 A 69 69 SER CA C 69 60.162 61.069 -0.907 2
1 795 . 1 1 A 69 69 SER HA H 69 2.790 3.863 -1.073 2
1 796 . 1 1 A 69 69 SER CB C 69 60.021 61.852 -1.831 2
1 799 . 1 1 A 69 69 SER C C 69 176.238 176.135 0.103 2
1 800 . 1 1 A 70 70 SER N N 70 114.849 116.385 -1.536 2
1 801 . 1 1 A 70 70 SER H H 70 7.812 7.910 -0.098 2
1 802 . 1 1 A 70 70 SER CA C 70 59.590 62.098 -2.508 2
1 803 . 1 1 A 70 70 SER HA H 70 4.095 4.017 0.078 2
1 804 . 1 1 A 70 70 SER CB C 70 62.885 62.935 -0.050 2
1 807 . 1 1 A 70 70 SER C C 70 175.286 176.533 -1.247 2
1 808 . 1 1 A 71 71 TYR N N 71 122.244 118.978 3.266 2
1 809 . 1 1 A 71 71 TYR H H 71 7.593 8.114 -0.521 2
1 810 . 1 1 A 71 71 TYR CA C 71 58.102 60.381 -2.279 2
1 811 . 1 1 A 71 71 TYR HA H 71 4.496 4.394 0.102 2
1 812 . 1 1 A 71 71 TYR CB C 71 37.631 38.840 -1.209 2
1 823 . 1 1 A 71 71 TYR C C 71 174.002 176.488 -2.486 2
1 824 . 1 1 A 72 72 LEU N N 72 119.079 119.306 -0.227 2
1 825 . 1 1 A 72 72 LEU H H 72 7.270 7.328 -0.058 2
1 826 . 1 1 A 72 72 LEU CA C 72 53.625 55.717 -2.092 2
1 827 . 1 1 A 72 72 LEU HA H 72 5.388 4.493 0.895 2
1 828 . 1 1 A 72 72 LEU CB C 72 46.623 42.642 3.982 2
1 841 . 1 1 A 72 72 LEU C C 72 175.893 176.314 -0.421 2
1 842 . 1 1 A 73 73 VAL N N 73 116.343 118.515 -2.172 2
1 843 . 1 1 A 73 73 VAL H H 73 8.610 8.784 -0.174 2
1 844 . 1 1 A 73 73 VAL CA C 73 59.707 59.251 0.456 2
1 845 . 1 1 A 73 73 VAL HA H 73 4.601 4.797 -0.196 2
1 846 . 1 1 A 73 73 VAL CB C 73 35.811 35.424 0.387 2
1 856 . 1 1 A 73 73 VAL C C 73 174.186 174.368 -0.182 2
1 857 . 1 1 A 74 74 GLU N N 74 124.925 125.385 -0.460 2
1 858 . 1 1 A 74 74 GLU H H 74 8.845 8.523 0.322 2
1 859 . 1 1 A 74 74 GLU CA C 74 57.745 56.824 0.921 2
1 860 . 1 1 A 74 74 GLU HA H 74 4.363 4.447 -0.084 2
1 861 . 1 1 A 74 74 GLU CB C 74 30.164 30.224 -0.060 2
1 867 . 1 1 A 74 74 GLU C C 74 176.322 176.340 -0.018 2
1 868 . 1 1 A 75 75 LYS N N 75 125.959 129.439 -3.480 2
1 869 . 1 1 A 75 75 LYS H H 75 8.556 7.992 0.564 2
1 870 . 1 1 A 75 75 LYS CA C 75 57.115 57.269 -0.153 2
1 871 . 1 1 A 75 75 LYS HA H 75 4.157 4.258 -0.101 2
1 872 . 1 1 A 75 75 LYS CB C 75 33.626 32.899 0.727 2
1 884 . 1 1 A 75 75 LYS C C 75 175.944 176.047 -0.103 2
1 885 . 1 1 A 76 76 SER N N 76 121.519 122.337 -0.818 2
1 886 . 1 1 A 76 76 SER H H 76 8.576 8.594 -0.018 2
1 887 . 1 1 A 76 76 SER CA C 76 56.205 57.072 -0.867 2
1 888 . 1 1 A 76 76 SER HA H 76 4.809 4.666 0.143 2
1 889 . 1 1 A 76 76 SER CB C 76 63.582 63.355 0.227 2
1 891 . 1 1 A 76 76 SER C C 76 172.875 174.131 -1.256 2
1 892 . 1 1 A 77 77 PRO CA C 77 63.453 63.874 -0.421 2
1 893 . 1 1 A 77 77 PRO HA H 77 4.434 4.540 -0.106 2
1 894 . 1 1 A 77 77 PRO CB C 77 32.104 32.136 -0.032 2
1 903 . 1 1 A 77 77 PRO C C 77 176.734 176.590 0.144 2
1 904 . 1 1 A 78 78 ASN N N 78 118.087 117.025 1.062 2
1 905 . 1 1 A 78 78 ASN H H 78 8.434 8.181 0.253 2
1 906 . 1 1 A 78 78 ASN CA C 78 53.314 53.445 -0.131 2
1 907 . 1 1 A 78 78 ASN HA H 78 4.653 4.793 -0.140 2
1 908 . 1 1 A 78 78 ASN CB C 78 38.823 39.664 -0.841 2
1 914 . 1 1 A 78 78 ASN C C 78 174.985 174.960 0.025 2
1 915 . 1 1 A 79 79 ASN N N 79 119.198 120.240 -1.042 2
1 916 . 1 1 A 79 79 ASN H H 79 8.312 8.579 -0.267 2
1 917 . 1 1 A 79 79 ASN CA C 79 53.379 53.231 0.148 2
1 918 . 1 1 A 79 79 ASN HA H 79 4.696 4.800 -0.104 2
1 919 . 1 1 A 79 79 ASN CB C 79 38.827 39.264 -0.437 2
1 925 . 1 1 A 79 79 ASN C C 79 175.132 174.723 0.409 2
1 926 . 1 1 A 80 80 LEU N N 80 122.154 122.752 -0.599 2
1 927 . 1 1 A 80 80 LEU H H 80 8.195 8.488 -0.293 2
1 928 . 1 1 A 80 80 LEU CA C 80 55.523 54.216 1.307 2
1 929 . 1 1 A 80 80 LEU HA H 80 4.305 4.639 -0.334 2
1 930 . 1 1 A 80 80 LEU CB C 80 42.304 42.947 -0.643 2
1 943 . 1 1 A 80 80 LEU C C 80 177.461 176.092 1.369 2
1 944 . 1 1 A 81 81 GLU N N 81 121.156 123.364 -2.208 2
1 945 . 1 1 A 81 81 GLU H H 81 8.341 8.587 -0.246 2
1 946 . 1 1 A 81 81 GLU CA C 81 56.665 55.946 0.719 2
1 947 . 1 1 A 81 81 GLU HA H 81 4.253 4.572 -0.319 2
1 948 . 1 1 A 81 81 GLU CB C 81 30.219 29.545 0.674 2
1 954 . 1 1 A 81 81 GLU C C 81 176.365 175.704 0.661 2
1 955 . 1 1 A 82 82 THR N N 82 114.319 117.173 -2.854 2
1 956 . 1 1 A 82 82 THR H H 82 7.970 8.178 -0.208 2
1 957 . 1 1 A 82 82 THR CA C 82 61.517 61.245 0.272 2
1 958 . 1 1 A 82 82 THR HA H 82 4.211 4.680 -0.469 2
1 959 . 1 1 A 82 82 THR CB C 82 69.881 70.089 -0.208 2
1 965 . 1 1 A 82 82 THR C C 82 173.812 173.466 0.346 2
1 966 . 1 1 A 83 83 TYR N N 83 122.614 122.933 -0.319 2
1 967 . 1 1 A 83 83 TYR H H 83 8.076 8.560 -0.484 2
1 968 . 1 1 A 83 83 TYR CA C 83 57.640 57.545 0.095 2
1 969 . 1 1 A 83 83 TYR HA H 83 4.444 4.879 -0.435 2
1 970 . 1 1 A 83 83 TYR CB C 83 38.964 39.846 -0.882 2
1 981 . 1 1 A 83 83 TYR C C 83 175.115 175.136 -0.021 2
1 982 . 1 1 A 84 84 GLU N N 84 122.790 122.242 0.548 2
1 983 . 1 1 A 84 84 GLU H H 84 7.995 8.725 -0.730 2
1 984 . 1 1 A 84 84 GLU CA C 84 56.097 55.290 0.807 2
1 985 . 1 1 A 84 84 GLU HA H 84 4.227 4.806 -0.579 2
1 986 . 1 1 A 84 84 GLU CB C 84 30.506 30.367 0.139 2
1 992 . 1 1 A 84 84 GLU C C 84 174.707 175.792 -1.085 2
stop_
save_