data_15737_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15737
_Entry.PDB_ID 2K33
_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 2 . 1 1 1 A 2 2 VAL H H 2 8.613 7.142 1.471 1
1 3 . 1 1 1 A 2 2 VAL HA H 2 4.487 4.860 -0.373 1
1 11 . 1 1 1 A 2 2 VAL CA C 2 61.103 60.310 0.793 1
1 12 . 1 1 1 A 2 2 VAL CB C 2 35.731 36.220 -0.489 1
1 15 . 1 1 1 A 2 2 VAL N N 2 117.956 119.174 -1.218 1
1 16 . 1 1 1 A 3 3 ILE H H 3 8.439 8.961 -0.522 1
1 17 . 1 1 1 A 3 3 ILE HA H 3 4.498 4.733 -0.235 1
1 27 . 1 1 1 A 3 3 ILE CA C 3 60.172 59.633 0.539 1
1 28 . 1 1 1 A 3 3 ILE CB C 3 38.528 41.246 -2.718 1
1 32 . 1 1 1 A 3 3 ILE N N 3 125.643 126.383 -0.740 1
1 33 . 1 1 1 A 4 4 ILE H H 4 8.543 8.329 0.214 1
1 34 . 1 1 1 A 4 4 ILE HA H 4 4.005 4.226 -0.221 1
1 44 . 1 1 1 A 4 4 ILE CA C 4 61.550 61.520 0.030 1
1 45 . 1 1 1 A 4 4 ILE CB C 4 38.038 37.145 0.893 1
1 49 . 1 1 1 A 4 4 ILE N N 4 127.460 128.463 -1.003 1
1 50 . 1 1 1 A 5 5 LYS H H 5 8.292 8.758 -0.466 1
1 51 . 1 1 1 A 5 5 LYS HA H 5 5.173 4.658 0.515 1
1 60 . 1 1 1 A 5 5 LYS CA C 5 53.276 52.747 0.529 1
1 61 . 1 1 1 A 5 5 LYS CB C 5 33.713 34.173 -0.460 1
1 65 . 1 1 1 A 5 5 LYS N N 5 126.677 127.310 -0.633 1
1 66 . 1 1 1 A 6 6 PRO HA H 6 4.383 4.637 -0.254 1
1 73 . 1 1 1 A 6 6 PRO CA C 6 62.444 62.283 0.161 1
1 74 . 1 1 1 A 6 6 PRO CB C 6 32.018 33.214 -1.196 1
1 77 . 1 1 1 A 7 7 GLN H H 7 9.359 8.648 0.711 1
1 78 . 1 1 1 A 7 7 GLN HA H 7 4.406 4.489 -0.083 1
1 85 . 1 1 1 A 7 7 GLN CA C 7 56.357 55.260 1.097 1
1 86 . 1 1 1 A 7 7 GLN CB C 7 28.784 30.650 -1.866 1
1 88 . 1 1 1 A 7 7 GLN N N 7 119.975 119.213 0.762 1
1 90 . 1 1 1 A 8 8 VAL H H 8 7.032 7.490 -0.458 1
1 91 . 1 1 1 A 8 8 VAL HA H 8 4.486 4.583 -0.097 1
1 99 . 1 1 1 A 8 8 VAL CA C 8 58.874 58.946 -0.072 1
1 100 . 1 1 1 A 8 8 VAL CB C 8 35.169 35.636 -0.467 1
1 103 . 1 1 1 A 8 8 VAL N N 8 111.122 117.628 -6.506 1
1 104 . 1 1 1 A 9 9 SER H H 9 8.210 8.590 -0.380 1
1 105 . 1 1 1 A 9 9 SER HA H 9 4.957 5.170 -0.213 1
1 108 . 1 1 1 A 9 9 SER CA C 9 56.585 56.584 0.001 1
1 109 . 1 1 1 A 9 9 SER CB C 9 64.442 64.938 -0.496 1
1 110 . 1 1 1 A 9 9 SER N N 9 115.043 116.240 -1.197 1
1 111 . 1 1 1 A 10 10 GLY H H 10 8.003 7.915 0.088 1
1 112 . 1 1 1 A 10 10 GLY HA2 H 10 4.412 3.977 0.435 1
1 113 . 1 1 1 A 10 10 GLY HA3 H 10 3.645 4.134 -0.489 1
1 114 . 1 1 1 A 10 10 GLY CA C 10 45.292 45.989 -0.697 1
1 115 . 1 1 1 A 10 10 GLY N N 10 108.708 110.187 -1.479 1
1 116 . 1 1 1 A 11 11 VAL H H 11 8.006 7.888 0.118 1
1 117 . 1 1 1 A 11 11 VAL HA H 11 4.743 4.680 0.063 1
1 125 . 1 1 1 A 11 11 VAL CA C 11 60.539 60.596 -0.057 1
1 126 . 1 1 1 A 11 11 VAL CB C 11 34.951 35.469 -0.518 1
1 129 . 1 1 1 A 11 11 VAL N N 11 118.308 120.466 -2.158 1
1 130 . 1 1 1 A 12 12 ILE H H 12 8.459 8.682 -0.223 1
1 131 . 1 1 1 A 12 12 ILE HA H 12 4.050 4.386 -0.336 1
1 141 . 1 1 1 A 12 12 ILE CA C 12 60.287 62.564 -2.277 1
1 142 . 1 1 1 A 12 12 ILE CB C 12 35.650 38.057 -2.407 1
1 146 . 1 1 1 A 12 12 ILE N N 12 125.265 126.413 -1.148 1
1 147 . 1 1 1 A 13 13 VAL H H 13 8.908 9.497 -0.589 1
1 148 . 1 1 1 A 13 13 VAL HA H 13 4.500 4.145 0.355 1
1 156 . 1 1 1 A 13 13 VAL CA C 13 62.126 63.415 -1.289 1
1 157 . 1 1 1 A 13 13 VAL CB C 13 33.291 33.193 0.098 1
1 160 . 1 1 1 A 13 13 VAL N N 13 124.479 126.310 -1.831 1
1 161 . 1 1 1 A 14 14 ASN H H 14 7.653 7.579 0.074 1
1 162 . 1 1 1 A 14 14 ASN HA H 14 4.819 5.071 -0.252 1
1 167 . 1 1 1 A 14 14 ASN CA C 14 52.806 52.523 0.283 1
1 168 . 1 1 1 A 14 14 ASN CB C 14 41.978 42.001 -0.023 1
1 169 . 1 1 1 A 14 14 ASN N N 14 114.961 114.372 0.589 1
1 171 . 1 1 1 A 15 15 LYS H H 15 8.404 8.696 -0.292 1
1 172 . 1 1 1 A 15 15 LYS HA H 15 4.641 4.933 -0.292 1
1 179 . 1 1 1 A 15 15 LYS CA C 15 55.935 54.600 1.335 1
1 180 . 1 1 1 A 15 15 LYS CB C 15 35.274 34.642 0.632 1
1 183 . 1 1 1 A 15 15 LYS N N 15 123.768 119.152 4.616 1
1 184 . 1 1 1 A 16 16 LEU H H 16 8.020 8.758 -0.738 1
1 185 . 1 1 1 A 16 16 LEU HA H 16 4.611 4.568 0.043 1
1 195 . 1 1 1 A 16 16 LEU CA C 16 55.124 54.095 1.029 1
1 196 . 1 1 1 A 16 16 LEU CB C 16 41.308 40.238 1.070 1
1 200 . 1 1 1 A 16 16 LEU N N 16 126.162 126.472 -0.310 1
1 201 . 1 1 1 A 17 17 PHE H H 17 6.573 7.796 -1.223 1
1 202 . 1 1 1 A 17 17 PHE HA H 17 4.862 5.224 -0.362 1
1 207 . 1 1 1 A 17 17 PHE CA C 17 55.528 55.593 -0.065 1
1 208 . 1 1 1 A 17 17 PHE CB C 17 41.093 42.320 -1.227 1
1 209 . 1 1 1 A 17 17 PHE N N 17 113.628 116.634 -3.006 1
1 210 . 1 1 1 A 18 18 LYS H H 18 8.655 8.550 0.105 1
1 211 . 1 1 1 A 18 18 LYS HA H 18 4.333 4.458 -0.125 1
1 220 . 1 1 1 A 18 18 LYS CA C 18 54.277 53.956 0.321 1
1 221 . 1 1 1 A 18 18 LYS CB C 18 35.134 36.150 -1.016 1
1 225 . 1 1 1 A 18 18 LYS N N 18 120.572 118.576 1.996 1
1 226 . 1 1 1 A 19 19 ALA H H 19 8.407 8.326 0.081 1
1 227 . 1 1 1 A 19 19 ALA HA H 19 3.962 4.803 -0.841 1
1 231 . 1 1 1 A 19 19 ALA CA C 19 53.980 52.495 1.485 1
1 232 . 1 1 1 A 19 19 ALA CB C 19 18.497 19.298 -0.801 1
1 233 . 1 1 1 A 19 19 ALA N N 19 123.842 124.799 -0.957 1
1 234 . 1 1 1 A 20 20 GLY H H 20 8.814 8.606 0.208 1
1 235 . 1 1 1 A 20 20 GLY HA2 H 20 4.313 3.968 0.345 1
1 236 . 1 1 1 A 20 20 GLY HA3 H 20 3.532 3.987 -0.455 1
1 237 . 1 1 1 A 20 20 GLY CA C 20 45.045 45.400 -0.355 1
1 238 . 1 1 1 A 20 20 GLY N N 20 112.434 111.697 0.737 1
1 239 . 1 1 1 A 21 21 ASP H H 21 7.933 7.955 -0.022 1
1 240 . 1 1 1 A 21 21 ASP HA H 21 4.499 4.989 -0.490 1
1 243 . 1 1 1 A 21 21 ASP CA C 21 55.383 52.909 2.474 1
1 244 . 1 1 1 A 21 21 ASP CB C 21 41.067 43.310 -2.243 1
1 245 . 1 1 1 A 21 21 ASP N N 21 121.505 120.437 1.068 1
1 246 . 1 1 1 A 22 22 LYS H H 22 8.311 8.462 -0.151 1
1 247 . 1 1 1 A 22 22 LYS HA H 22 4.871 5.107 -0.236 1
1 256 . 1 1 1 A 22 22 LYS CA C 22 55.659 55.129 0.530 1
1 257 . 1 1 1 A 22 22 LYS CB C 22 31.820 34.687 -2.867 1
1 261 . 1 1 1 A 22 22 LYS N N 22 120.225 120.099 0.126 1
1 262 . 1 1 1 A 23 23 VAL H H 23 8.935 8.819 0.116 1
1 263 . 1 1 1 A 23 23 VAL HA H 23 4.841 5.097 -0.256 1
1 271 . 1 1 1 A 23 23 VAL CA C 23 58.502 59.110 -0.608 1
1 272 . 1 1 1 A 23 23 VAL CB C 23 34.507 36.081 -1.574 1
1 275 . 1 1 1 A 23 23 VAL N N 23 117.700 118.650 -0.950 1
1 276 . 1 1 1 A 24 24 LYS H H 24 7.960 8.767 -0.807 1
1 277 . 1 1 1 A 24 24 LYS HA H 24 4.838 5.046 -0.208 1
1 286 . 1 1 1 A 24 24 LYS CA C 24 53.195 54.418 -1.223 1
1 287 . 1 1 1 A 24 24 LYS CB C 24 35.213 36.236 -1.023 1
1 291 . 1 1 1 A 24 24 LYS N N 24 121.958 121.131 0.827 1
1 292 . 1 1 1 A 25 25 LYS H H 25 8.915 8.600 0.315 1
1 293 . 1 1 1 A 25 25 LYS HA H 25 3.156 4.016 -0.860 1
1 300 . 1 1 1 A 25 25 LYS CA C 25 58.648 58.113 0.535 1
1 301 . 1 1 1 A 25 25 LYS CB C 25 32.648 32.166 0.482 1
1 304 . 1 1 1 A 25 25 LYS N N 25 121.653 126.035 -4.382 1
1 305 . 1 1 1 A 26 26 GLY H H 26 8.900 8.756 0.144 1
1 306 . 1 1 1 A 26 26 GLY HA2 H 26 4.283 3.957 0.326 1
1 307 . 1 1 1 A 26 26 GLY HA3 H 26 3.471 3.961 -0.490 1
1 308 . 1 1 1 A 26 26 GLY CA C 26 45.263 45.559 -0.296 1
1 309 . 1 1 1 A 26 26 GLY N N 26 115.268 114.639 0.629 1
1 310 . 1 1 1 A 27 27 GLN H H 27 8.433 8.102 0.331 1
1 311 . 1 1 1 A 27 27 GLN HA H 27 4.141 4.439 -0.298 1
1 318 . 1 1 1 A 27 27 GLN CA C 27 56.324 55.361 0.963 1
1 319 . 1 1 1 A 27 27 GLN CB C 27 30.520 29.742 0.778 1
1 321 . 1 1 1 A 27 27 GLN N N 27 123.155 120.415 2.740 1
1 323 . 1 1 1 A 28 28 THR H H 28 9.110 8.980 0.130 1
1 324 . 1 1 1 A 28 28 THR HA H 28 3.893 4.217 -0.324 1
1 329 . 1 1 1 A 28 28 THR CA C 28 65.828 64.234 1.594 1
1 330 . 1 1 1 A 28 28 THR CB C 28 68.581 69.226 -0.645 1
1 332 . 1 1 1 A 28 28 THR N N 28 124.748 121.381 3.367 1
1 333 . 1 1 1 A 29 29 LEU H H 29 9.509 8.897 0.612 1
1 334 . 1 1 1 A 29 29 LEU HA H 29 4.383 4.577 -0.194 1
1 344 . 1 1 1 A 29 29 LEU CA C 29 55.795 55.611 0.184 1
1 345 . 1 1 1 A 29 29 LEU CB C 29 44.572 44.524 0.048 1
1 349 . 1 1 1 A 29 29 LEU N N 29 125.873 126.474 -0.601 1
1 350 . 1 1 1 A 30 30 PHE H H 30 7.579 7.692 -0.113 1
1 351 . 1 1 1 A 30 30 PHE HA H 30 5.367 5.228 0.139 1
1 359 . 1 1 1 A 30 30 PHE CA C 30 55.486 56.070 -0.584 1
1 360 . 1 1 1 A 30 30 PHE CB C 30 44.887 43.216 1.671 1
1 361 . 1 1 1 A 30 30 PHE N N 30 111.134 114.882 -3.748 1
1 362 . 1 1 1 A 31 31 ILE H H 31 7.858 8.604 -0.746 1
1 363 . 1 1 1 A 31 31 ILE HA H 31 4.817 4.877 -0.060 1
1 373 . 1 1 1 A 31 31 ILE CA C 31 60.063 60.258 -0.195 1
1 374 . 1 1 1 A 31 31 ILE CB C 31 39.395 42.098 -2.703 1
1 378 . 1 1 1 A 31 31 ILE N N 31 119.416 119.910 -0.494 1
1 379 . 1 1 1 A 32 32 ILE H H 32 9.107 8.884 0.223 1
1 380 . 1 1 1 A 32 32 ILE HA H 32 4.842 5.052 -0.210 1
1 390 . 1 1 1 A 32 32 ILE CA C 32 59.002 60.211 -1.209 1
1 391 . 1 1 1 A 32 32 ILE CB C 32 42.048 41.964 0.084 1
1 395 . 1 1 1 A 32 32 ILE N N 32 127.892 125.981 1.911 1
1 396 . 1 1 1 A 33 33 GLU H H 33 9.095 9.216 -0.121 1
1 397 . 1 1 1 A 33 33 GLU HA H 33 4.642 5.204 -0.562 1
1 402 . 1 1 1 A 33 33 GLU CA C 33 54.985 55.261 -0.276 1
1 403 . 1 1 1 A 33 33 GLU CB C 33 31.672 31.441 0.231 1
1 405 . 1 1 1 A 33 33 GLU N N 33 128.157 128.191 -0.034 1
1 406 . 1 1 1 A 34 34 GLN H H 34 8.725 8.548 0.177 1
1 407 . 1 1 1 A 34 34 GLN HA H 34 4.354 4.908 -0.554 1
1 414 . 1 1 1 A 34 34 GLN CA C 34 56.807 54.182 2.625 1
1 415 . 1 1 1 A 34 34 GLN CB C 34 30.119 32.505 -2.386 1
1 417 . 1 1 1 A 34 34 GLN N N 34 128.123 124.257 3.866 1
1 419 . 1 1 1 A 35 35 ASP H H 35 8.524 8.640 -0.116 1
1 420 . 1 1 1 A 35 35 ASP HA H 35 4.609 4.809 -0.200 1
1 423 . 1 1 1 A 35 35 ASP CA C 35 54.226 54.026 0.200 1
1 424 . 1 1 1 A 35 35 ASP CB C 35 41.429 39.870 1.559 1
1 425 . 1 1 1 A 35 35 ASP N N 35 122.485 118.906 3.579 1
1 426 . 1 1 1 A 36 36 GLN H H 36 8.576 7.620 0.956 1
1 427 . 1 1 1 A 36 36 GLN HA H 36 4.041 4.804 -0.763 1
1 434 . 1 1 1 A 36 36 GLN CA C 36 56.662 55.373 1.289 1
1 435 . 1 1 1 A 36 36 GLN CB C 36 29.166 30.282 -1.116 1
1 437 . 1 1 1 A 36 36 GLN N N 36 123.321 116.211 7.110 1
1 439 . 1 1 1 A 37 37 ALA H H 37 8.322 8.542 -0.220 1
1 440 . 1 1 1 A 37 37 ALA HA H 37 4.232 4.642 -0.410 1
1 444 . 1 1 1 A 37 37 ALA CA C 37 53.231 51.510 1.721 1
1 445 . 1 1 1 A 37 37 ALA CB C 37 19.020 18.473 0.547 1
1 446 . 1 1 1 A 37 37 ALA N N 37 123.086 127.375 -4.289 1
1 447 . 1 1 1 A 38 38 SER H H 38 7.919 8.209 -0.290 1
1 448 . 1 1 1 A 38 38 SER HA H 38 4.283 4.454 -0.171 1
1 451 . 1 1 1 A 38 38 SER CA C 38 58.884 60.570 -1.686 1
1 452 . 1 1 1 A 38 38 SER CB C 38 63.835 62.115 1.720 1
1 453 . 1 1 1 A 38 38 SER N N 38 113.578 110.440 3.138 1
1 454 . 1 1 1 A 39 39 LYS H H 39 8.153 8.894 -0.741 1
1 455 . 1 1 1 A 39 39 LYS HA H 39 4.140 4.619 -0.479 1
1 463 . 1 1 1 A 39 39 LYS CA C 39 57.127 56.913 0.214 1
1 464 . 1 1 1 A 39 39 LYS CB C 39 32.812 33.214 -0.402 1
1 468 . 1 1 1 A 39 39 LYS N N 39 122.651 122.567 0.084 1
1 469 . 1 1 1 A 40 40 ASP H H 40 8.100 8.139 -0.039 1
1 470 . 1 1 1 A 40 40 ASP HA H 40 4.532 4.958 -0.426 1
1 473 . 1 1 1 A 40 40 ASP CA C 40 54.376 53.225 1.151 1
1 474 . 1 1 1 A 40 40 ASP CB C 40 41.245 41.684 -0.439 1
1 475 . 1 1 1 A 40 40 ASP N N 40 119.441 120.372 -0.931 1
1 476 . 1 1 1 A 41 41 PHE H H 41 7.924 8.366 -0.442 1
1 477 . 1 1 1 A 41 41 PHE HA H 41 4.384 4.895 -0.511 1
1 484 . 1 1 1 A 41 41 PHE CA C 41 58.704 59.439 -0.735 1
1 485 . 1 1 1 A 41 41 PHE CB C 41 39.397 41.200 -1.803 1
1 486 . 1 1 1 A 41 41 PHE N N 41 121.124 120.597 0.527 1
1 487 . 1 1 1 A 42 42 ASN H H 42 8.311 7.595 0.716 1
1 488 . 1 1 1 A 42 42 ASN HA H 42 4.523 4.628 -0.105 1
1 492 . 1 1 1 A 42 42 ASN CA C 42 53.133 54.092 -0.959 1
1 493 . 1 1 1 A 42 42 ASN CB C 42 38.801 39.005 -0.204 1
1 494 . 1 1 1 A 42 42 ASN N N 42 120.181 115.448 4.733 1
1 496 . 1 1 1 A 43 43 ARG H H 43 8.133 8.593 -0.460 1
1 497 . 1 1 1 A 43 43 ARG HA H 43 4.115 4.592 -0.477 1
1 504 . 1 1 1 A 43 43 ARG CA C 43 57.051 55.105 1.946 1
1 505 . 1 1 1 A 43 43 ARG CB C 43 30.514 30.059 0.455 1
1 508 . 1 1 1 A 43 43 ARG N N 43 121.727 119.556 2.171 1
1 509 . 1 1 1 A 44 44 SER H H 44 8.174 8.015 0.159 1
1 510 . 1 1 1 A 44 44 SER HA H 44 4.286 4.420 -0.134 1
1 513 . 1 1 1 A 44 44 SER CA C 44 59.344 58.709 0.635 1
1 514 . 1 1 1 A 44 44 SER CB C 44 63.357 62.586 0.771 1
1 515 . 1 1 1 A 44 44 SER N N 44 115.718 115.148 0.570 1
1 516 . 1 1 1 A 45 45 LYS H H 45 7.963 8.716 -0.753 1
1 517 . 1 1 1 A 45 45 LYS HA H 45 4.123 3.998 0.125 1
1 526 . 1 1 1 A 45 45 LYS CA C 45 56.866 59.620 -2.754 1
1 527 . 1 1 1 A 45 45 LYS CB C 45 32.777 32.963 -0.186 1
1 530 . 1 1 1 A 45 45 LYS N N 45 122.326 124.754 -2.428 1
1 531 . 1 1 1 A 46 46 ALA H H 46 7.965 7.596 0.369 1
1 532 . 1 1 1 A 46 46 ALA HA H 46 4.165 4.636 -0.471 1
1 536 . 1 1 1 A 46 46 ALA CA C 46 52.999 51.269 1.730 1
1 537 . 1 1 1 A 46 46 ALA CB C 46 18.944 23.143 -4.199 1
1 538 . 1 1 1 A 46 46 ALA N N 46 123.536 116.694 6.842 1
1 539 . 1 1 1 A 47 47 LEU H H 47 7.898 8.640 -0.742 1
1 540 . 1 1 1 A 47 47 LEU HA H 47 4.158 4.983 -0.825 1
1 550 . 1 1 1 A 47 47 LEU CA C 47 55.583 53.230 2.353 1
1 551 . 1 1 1 A 47 47 LEU CB C 47 42.404 44.800 -2.396 1
1 555 . 1 1 1 A 47 47 LEU N N 47 119.914 117.527 2.387 1
1 556 . 1 1 1 A 48 48 PHE H H 48 7.981 7.907 0.074 1
1 557 . 1 1 1 A 48 48 PHE HA H 48 4.539 4.972 -0.433 1
1 564 . 1 1 1 A 48 48 PHE CA C 48 58.033 55.431 2.602 1
1 565 . 1 1 1 A 48 48 PHE CB C 48 39.470 38.625 0.845 1
1 566 . 1 1 1 A 48 48 PHE N N 48 119.602 117.995 1.607 1
1 567 . 1 1 1 A 49 49 SER H H 49 8.028 8.704 -0.676 1
1 568 . 1 1 1 A 49 49 SER HA H 49 4.332 4.138 0.194 1
1 571 . 1 1 1 A 49 49 SER CA C 49 58.581 61.274 -2.693 1
1 572 . 1 1 1 A 49 49 SER CB C 49 63.866 63.747 0.119 1
1 573 . 1 1 1 A 49 49 SER N N 49 116.270 118.364 -2.094 1
1 574 . 1 1 1 A 50 50 GLN H H 50 8.266 7.681 0.585 1
1 575 . 1 1 1 A 50 50 GLN HA H 50 4.257 4.575 -0.318 1
1 582 . 1 1 1 A 50 50 GLN CA C 50 56.435 55.216 1.219 1
1 583 . 1 1 1 A 50 50 GLN CB C 50 29.204 31.146 -1.942 1
1 585 . 1 1 1 A 50 50 GLN N N 50 121.931 118.418 3.513 1
1 587 . 1 1 1 A 51 51 SER H H 51 8.147 8.652 -0.505 1
1 588 . 1 1 1 A 51 51 SER HA H 51 4.338 4.535 -0.197 1
1 591 . 1 1 1 A 51 51 SER CA C 51 58.645 57.924 0.721 1
1 592 . 1 1 1 A 51 51 SER CB C 51 63.784 61.166 2.618 1
1 593 . 1 1 1 A 51 51 SER N N 51 115.676 116.239 -0.563 1
1 594 . 1 1 1 A 52 52 ALA H H 52 8.175 8.746 -0.571 1
1 595 . 1 1 1 A 52 52 ALA HA H 52 4.265 4.404 -0.139 1
1 599 . 1 1 1 A 52 52 ALA CA C 52 53.031 53.013 0.018 1
1 600 . 1 1 1 A 52 52 ALA CB C 52 18.941 19.694 -0.753 1
1 601 . 1 1 1 A 52 52 ALA N N 52 125.360 124.620 0.740 1
1 602 . 1 1 1 A 53 53 ILE H H 53 7.870 7.489 0.381 1
1 603 . 1 1 1 A 53 53 ILE HA H 53 4.099 4.482 -0.383 1
1 613 . 1 1 1 A 53 53 ILE CA C 53 61.558 60.252 1.306 1
1 614 . 1 1 1 A 53 53 ILE CB C 53 38.851 39.357 -0.506 1
1 618 . 1 1 1 A 53 53 ILE N N 53 118.231 111.331 6.900 1
1 619 . 1 1 1 A 54 54 SER H H 54 8.159 8.226 -0.067 1
1 620 . 1 1 1 A 54 54 SER HA H 54 4.384 4.155 0.229 1
1 623 . 1 1 1 A 54 54 SER CA C 54 58.551 58.880 -0.329 1
1 624 . 1 1 1 A 54 54 SER CB C 54 63.964 61.623 2.341 1
1 625 . 1 1 1 A 54 54 SER N N 54 118.588 114.678 3.910 1
1 626 . 1 1 1 A 55 55 GLN H H 55 8.301 7.852 0.449 1
1 627 . 1 1 1 A 55 55 GLN HA H 55 4.214 3.363 0.851 1
1 634 . 1 1 1 A 55 55 GLN CA C 55 56.547 58.561 -2.014 1
1 635 . 1 1 1 A 55 55 GLN CB C 55 29.292 28.228 1.064 1
1 637 . 1 1 1 A 55 55 GLN N N 55 122.173 120.854 1.319 1
1 639 . 1 1 1 A 56 56 LYS H H 56 8.163 8.558 -0.395 1
1 640 . 1 1 1 A 56 56 LYS HA H 56 4.177 4.102 0.075 1
1 647 . 1 1 1 A 56 56 LYS CA C 56 56.978 59.191 -2.213 1
1 648 . 1 1 1 A 56 56 LYS CB C 56 32.855 31.915 0.940 1
1 651 . 1 1 1 A 56 56 LYS N N 56 121.126 116.897 4.229 1
1 652 . 1 1 1 A 57 57 GLU H H 57 8.211 8.039 0.172 1
1 653 . 1 1 1 A 57 57 GLU HA H 57 4.151 4.630 -0.479 1
1 658 . 1 1 1 A 57 57 GLU CA C 57 57.058 56.008 1.050 1
1 659 . 1 1 1 A 57 57 GLU CB C 57 30.211 31.239 -1.028 1
1 661 . 1 1 1 A 57 57 GLU N N 57 120.615 118.181 2.434 1
1 662 . 1 1 1 A 58 58 TYR H H 58 8.070 7.683 0.387 1
1 663 . 1 1 1 A 58 58 TYR HA H 58 4.375 4.346 0.029 1
1 670 . 1 1 1 A 58 58 TYR CA C 58 58.570 57.751 0.819 1
1 671 . 1 1 1 A 58 58 TYR CB C 58 38.962 39.724 -0.762 1
1 672 . 1 1 1 A 58 58 TYR N N 58 120.822 119.161 1.661 1
1 673 . 1 1 1 A 59 59 ASP H H 59 8.146 8.676 -0.530 1
1 674 . 1 1 1 A 59 59 ASP HA H 59 4.492 4.519 -0.027 1
1 677 . 1 1 1 A 59 59 ASP CA C 59 54.396 53.980 0.416 1
1 678 . 1 1 1 A 59 59 ASP CB C 59 41.086 41.744 -0.658 1
1 679 . 1 1 1 A 59 59 ASP N N 59 122.551 120.864 1.687 1
1 680 . 1 1 1 A 60 60 SER H H 60 8.253 8.666 -0.413 1
1 681 . 1 1 1 A 60 60 SER HA H 60 4.260 3.993 0.267 1
1 684 . 1 1 1 A 60 60 SER CA C 60 59.533 59.674 -0.141 1
1 685 . 1 1 1 A 60 60 SER CB C 60 63.422 63.584 -0.162 1
1 686 . 1 1 1 A 60 60 SER N N 60 117.657 116.259 1.398 1
1 687 . 1 1 1 A 61 61 SER H H 61 8.344 8.073 0.271 1
1 688 . 1 1 1 A 61 61 SER HA H 61 4.307 4.307 0.000 1
1 691 . 1 1 1 A 61 61 SER CA C 61 59.755 62.013 -2.258 1
1 692 . 1 1 1 A 61 61 SER CB C 61 63.582 63.043 0.539 1
1 693 . 1 1 1 A 61 61 SER N N 61 118.129 116.630 1.499 1
1 694 . 1 1 1 A 62 62 LEU H H 62 7.759 7.697 0.062 1
1 695 . 1 1 1 A 62 62 LEU HA H 62 4.234 4.405 -0.171 1
1 705 . 1 1 1 A 62 62 LEU CA C 62 55.464 55.194 0.270 1
1 706 . 1 1 1 A 62 62 LEU CB C 62 42.238 41.536 0.702 1
1 710 . 1 1 1 A 62 62 LEU N N 62 122.627 115.812 6.815 1
1 711 . 1 1 1 A 63 63 ALA H H 63 7.919 8.007 -0.088 1
1 712 . 1 1 1 A 63 63 ALA HA H 63 4.276 4.576 -0.300 1
1 716 . 1 1 1 A 63 63 ALA CA C 63 52.922 51.229 1.693 1
1 717 . 1 1 1 A 63 63 ALA CB C 63 19.221 19.227 -0.006 1
1 718 . 1 1 1 A 63 63 ALA N N 63 123.444 122.724 0.720 1
1 719 . 1 1 1 A 64 64 THR H H 64 7.890 8.024 -0.134 1
1 720 . 1 1 1 A 64 64 THR HA H 64 4.217 4.552 -0.335 1
1 725 . 1 1 1 A 64 64 THR CA C 64 61.787 60.969 0.818 1
1 726 . 1 1 1 A 64 64 THR CB C 64 69.719 70.713 -0.994 1
1 728 . 1 1 1 A 64 64 THR N N 64 112.279 108.450 3.829 1
1 729 . 1 1 1 A 65 65 LEU H H 65 8.009 8.659 -0.650 1
1 730 . 1 1 1 A 65 65 LEU HA H 65 4.295 3.877 0.418 1
1 740 . 1 1 1 A 65 65 LEU CA C 65 55.345 55.951 -0.606 1
1 741 . 1 1 1 A 65 65 LEU CB C 65 42.412 40.123 2.289 1
1 745 . 1 1 1 A 65 65 LEU N N 65 123.586 119.886 3.700 1
1 746 . 1 1 1 A 66 66 ASP H H 66 8.288 7.904 0.384 1
1 747 . 1 1 1 A 66 66 ASP HA H 66 4.564 4.249 0.315 1
1 750 . 1 1 1 A 66 66 ASP CA C 66 54.676 54.663 0.013 1
1 751 . 1 1 1 A 66 66 ASP CB C 66 41.376 42.078 -0.702 1
1 752 . 1 1 1 A 66 66 ASP N N 66 120.344 118.561 1.783 1
1 753 . 1 1 1 A 67 67 HIS H H 67 8.058 8.767 -0.709 1
1 754 . 1 1 1 A 67 67 HIS HA H 67 5.247 5.100 0.147 1
1 758 . 1 1 1 A 67 67 HIS CA C 67 55.260 54.842 0.418 1
1 759 . 1 1 1 A 67 67 HIS CB C 67 31.974 33.851 -1.877 1
1 760 . 1 1 1 A 67 67 HIS N N 67 119.406 118.616 0.790 1
1 761 . 1 1 1 A 68 68 THR H H 68 8.919 9.435 -0.516 1
1 762 . 1 1 1 A 68 68 THR HA H 68 4.484 4.787 -0.303 1
1 767 . 1 1 1 A 68 68 THR CA C 68 62.542 61.630 0.912 1
1 768 . 1 1 1 A 68 68 THR CB C 68 71.067 69.994 1.073 1
1 770 . 1 1 1 A 68 68 THR N N 68 117.233 116.674 0.559 1
1 771 . 1 1 1 A 69 69 GLU H H 69 8.649 8.950 -0.301 1
1 772 . 1 1 1 A 69 69 GLU HA H 69 4.703 4.584 0.119 1
1 777 . 1 1 1 A 69 69 GLU CA C 69 55.886 56.760 -0.874 1
1 778 . 1 1 1 A 69 69 GLU CB C 69 31.746 30.506 1.240 1
1 780 . 1 1 1 A 69 69 GLU N N 69 124.187 126.770 -2.583 1
1 781 . 1 1 1 A 70 70 ILE H H 70 8.601 9.465 -0.864 1
1 782 . 1 1 1 A 70 70 ILE HA H 70 4.405 4.535 -0.130 1
1 792 . 1 1 1 A 70 70 ILE CA C 70 59.234 60.623 -1.389 1
1 793 . 1 1 1 A 70 70 ILE CB C 70 37.318 37.624 -0.306 1
1 797 . 1 1 1 A 70 70 ILE N N 70 123.482 125.647 -2.165 1
1 798 . 1 1 1 A 71 71 LYS H H 71 8.926 8.463 0.463 1
1 799 . 1 1 1 A 71 71 LYS HA H 71 5.078 4.956 0.122 1
1 806 . 1 1 1 A 71 71 LYS CA C 71 54.584 55.974 -1.390 1
1 807 . 1 1 1 A 71 71 LYS CB C 71 36.281 33.523 2.758 1
1 810 . 1 1 1 A 71 71 LYS N N 71 128.267 126.666 1.601 1
1 811 . 1 1 1 A 72 72 ALA H H 72 8.633 8.807 -0.174 1
1 812 . 1 1 1 A 72 72 ALA HA H 72 4.067 4.355 -0.288 1
1 816 . 1 1 1 A 72 72 ALA CA C 72 49.967 50.978 -1.011 1
1 817 . 1 1 1 A 72 72 ALA CB C 72 17.255 17.699 -0.444 1
1 818 . 1 1 1 A 72 72 ALA N N 72 123.088 124.348 -1.260 1
1 819 . 1 1 1 A 73 73 PRO HA H 73 4.333 4.488 -0.155 1
1 826 . 1 1 1 A 73 73 PRO CA C 73 63.716 64.612 -0.896 1
1 827 . 1 1 1 A 73 73 PRO CB C 73 31.915 32.172 -0.257 1
1 830 . 1 1 1 A 74 74 PHE H H 74 6.768 6.952 -0.184 1
1 831 . 1 1 1 A 74 74 PHE HA H 74 4.421 4.867 -0.446 1
1 838 . 1 1 1 A 74 74 PHE CA C 74 54.396 56.284 -1.888 1
1 839 . 1 1 1 A 74 74 PHE CB C 74 40.697 40.587 0.110 1
1 840 . 1 1 1 A 74 74 PHE N N 74 112.022 112.291 -0.269 1
1 841 . 1 1 1 A 75 75 ASP H H 75 8.583 8.899 -0.316 1
1 842 . 1 1 1 A 75 75 ASP HA H 75 4.922 4.435 0.487 1
1 845 . 1 1 1 A 75 75 ASP CA C 75 53.873 55.729 -1.856 1
1 846 . 1 1 1 A 75 75 ASP CB C 75 40.839 41.211 -0.372 1
1 847 . 1 1 1 A 75 75 ASP N N 75 118.252 121.595 -3.343 1
1 848 . 1 1 1 A 76 76 GLY H H 76 8.348 8.180 0.168 1
1 849 . 1 1 1 A 76 76 GLY HA2 H 76 4.236 4.344 -0.108 1
1 850 . 1 1 1 A 76 76 GLY HA3 H 76 4.075 4.359 -0.284 1
1 851 . 1 1 1 A 76 76 GLY CA C 76 46.639 45.898 0.741 1
1 852 . 1 1 1 A 76 76 GLY N N 76 108.729 111.225 -2.496 1
1 853 . 1 1 1 A 77 77 THR H H 77 8.623 8.261 0.362 1
1 854 . 1 1 1 A 77 77 THR HA H 77 4.975 5.137 -0.162 1
1 859 . 1 1 1 A 77 77 THR CA C 77 61.752 61.566 0.186 1
1 860 . 1 1 1 A 77 77 THR CB C 77 70.121 71.568 -1.447 1
1 862 . 1 1 1 A 77 77 THR N N 77 116.400 116.088 0.312 1
1 863 . 1 1 1 A 78 78 ILE H H 78 8.824 9.426 -0.602 1
1 864 . 1 1 1 A 78 78 ILE HA H 78 4.673 5.082 -0.409 1
1 874 . 1 1 1 A 78 78 ILE CA C 78 60.164 59.320 0.844 1
1 875 . 1 1 1 A 78 78 ILE CB C 78 42.973 41.315 1.658 1
1 879 . 1 1 1 A 78 78 ILE N N 78 129.310 127.422 1.888 1
1 880 . 1 1 1 A 79 79 GLY H H 79 8.060 8.345 -0.285 1
1 881 . 1 1 1 A 79 79 GLY HA2 H 79 4.404 4.159 0.245 1
1 882 . 1 1 1 A 79 79 GLY HA3 H 79 3.775 4.167 -0.392 1
1 883 . 1 1 1 A 79 79 GLY CA C 79 44.149 44.738 -0.589 1
1 884 . 1 1 1 A 79 79 GLY N N 79 114.539 115.950 -1.411 1
1 885 . 1 1 1 A 80 80 ASP H H 80 7.804 8.505 -0.701 1
1 886 . 1 1 1 A 80 80 ASP HA H 80 4.703 5.103 -0.400 1
1 889 . 1 1 1 A 80 80 ASP CA C 80 53.703 52.243 1.460 1
1 890 . 1 1 1 A 80 80 ASP CB C 80 41.918 41.571 0.347 1
1 891 . 1 1 1 A 80 80 ASP N N 80 113.688 119.532 -5.844 1
1 892 . 1 1 1 A 81 81 ALA H H 81 8.566 8.653 -0.087 1
1 893 . 1 1 1 A 81 81 ALA HA H 81 4.571 5.031 -0.460 1
1 897 . 1 1 1 A 81 81 ALA CA C 81 53.312 50.810 2.502 1
1 898 . 1 1 1 A 81 81 ALA CB C 81 20.381 20.884 -0.503 1
1 899 . 1 1 1 A 81 81 ALA N N 81 124.136 122.847 1.289 1
1 900 . 1 1 1 A 82 82 LEU H H 82 8.747 8.480 0.267 1
1 901 . 1 1 1 A 82 82 LEU HA H 82 4.345 4.338 0.007 1
1 910 . 1 1 1 A 82 82 LEU CA C 82 55.210 56.989 -1.779 1
1 911 . 1 1 1 A 82 82 LEU CB C 82 41.457 43.018 -1.561 1
1 914 . 1 1 1 A 82 82 LEU N N 82 121.773 125.334 -3.561 1
1 915 . 1 1 1 A 83 83 VAL H H 83 7.141 7.405 -0.264 1
1 916 . 1 1 1 A 83 83 VAL HA H 83 4.496 4.671 -0.175 1
1 924 . 1 1 1 A 83 83 VAL CA C 83 58.502 59.843 -1.341 1
1 925 . 1 1 1 A 83 83 VAL CB C 83 35.229 34.256 0.973 1
1 928 . 1 1 1 A 83 83 VAL N N 83 108.169 114.183 -6.014 1
1 929 . 1 1 1 A 84 84 ASN H H 84 9.076 8.760 0.316 1
1 930 . 1 1 1 A 84 84 ASN HA H 84 4.887 5.270 -0.383 1
1 935 . 1 1 1 A 84 84 ASN CA C 84 51.248 51.869 -0.621 1
1 936 . 1 1 1 A 84 84 ASN CB C 84 41.989 42.209 -0.220 1
1 937 . 1 1 1 A 84 84 ASN N N 84 119.502 118.460 1.042 1
1 939 . 1 1 1 A 85 85 ILE H H 85 8.404 8.440 -0.036 1
1 940 . 1 1 1 A 85 85 ILE HA H 85 3.393 3.838 -0.445 1
1 950 . 1 1 1 A 85 85 ILE CA C 85 63.873 63.574 0.299 1
1 951 . 1 1 1 A 85 85 ILE CB C 85 37.146 38.205 -1.059 1
1 955 . 1 1 1 A 85 85 ILE N N 85 119.409 121.513 -2.104 1
1 956 . 1 1 1 A 86 86 GLY H H 86 9.239 8.624 0.615 1
1 957 . 1 1 1 A 86 86 GLY HA2 H 86 4.401 3.913 0.488 1
1 958 . 1 1 1 A 86 86 GLY HA3 H 86 3.411 3.916 -0.505 1
1 959 . 1 1 1 A 86 86 GLY CA C 86 44.869 45.882 -1.013 1
1 960 . 1 1 1 A 86 86 GLY N N 86 117.321 115.534 1.787 1
1 961 . 1 1 1 A 87 87 ASP H H 87 7.968 8.200 -0.232 1
1 962 . 1 1 1 A 87 87 ASP HA H 87 4.607 4.976 -0.369 1
1 965 . 1 1 1 A 87 87 ASP CA C 87 54.886 53.187 1.699 1
1 966 . 1 1 1 A 87 87 ASP CB C 87 40.771 42.967 -2.196 1
1 967 . 1 1 1 A 87 87 ASP N N 87 121.490 121.185 0.305 1
1 968 . 1 1 1 A 88 88 TYR H H 88 8.566 9.018 -0.452 1
1 969 . 1 1 1 A 88 88 TYR HA H 88 4.712 4.820 -0.108 1
1 976 . 1 1 1 A 88 88 TYR CA C 88 57.826 59.716 -1.890 1
1 977 . 1 1 1 A 88 88 TYR CB C 88 39.243 39.307 -0.064 1
1 978 . 1 1 1 A 88 88 TYR N N 88 122.340 127.086 -4.746 1
1 979 . 1 1 1 A 89 89 VAL H H 89 8.951 8.570 0.381 1
1 980 . 1 1 1 A 89 89 VAL HA H 89 4.578 4.894 -0.316 1
1 988 . 1 1 1 A 89 89 VAL CA C 89 58.339 59.228 -0.889 1
1 989 . 1 1 1 A 89 89 VAL CB C 89 34.321 35.647 -1.326 1
1 992 . 1 1 1 A 89 89 VAL N N 89 121.914 121.086 0.828 1
1 993 . 1 1 1 A 90 90 SER H H 90 8.777 8.594 0.183 1
1 994 . 1 1 1 A 90 90 SER HA H 90 4.750 4.525 0.225 1
1 997 . 1 1 1 A 90 90 SER CA C 90 56.895 57.520 -0.625 1
1 998 . 1 1 1 A 90 90 SER CB C 90 64.866 64.871 -0.005 1
1 999 . 1 1 1 A 90 90 SER N N 90 114.813 118.540 -3.727 1
1 1000 . 1 1 1 A 91 91 ALA H H 91 8.712 8.566 0.146 1
1 1001 . 1 1 1 A 91 91 ALA HA H 91 3.515 4.652 -1.137 1
1 1005 . 1 1 1 A 91 91 ALA CA C 91 53.317 51.221 2.096 1
1 1006 . 1 1 1 A 91 91 ALA CB C 91 18.678 19.862 -1.184 1
1 1007 . 1 1 1 A 91 91 ALA N N 91 129.870 124.002 5.868 1
1 1008 . 1 1 1 A 92 92 SER H H 92 9.170 8.671 0.499 1
1 1009 . 1 1 1 A 92 92 SER HA H 92 3.817 4.081 -0.264 1
1 1012 . 1 1 1 A 92 92 SER CA C 92 60.652 61.878 -1.226 1
1 1013 . 1 1 1 A 92 92 SER CB C 92 62.505 62.892 -0.387 1
1 1014 . 1 1 1 A 92 92 SER N N 92 113.294 112.429 0.865 1
1 1015 . 1 1 1 A 93 93 THR H H 93 7.816 7.865 -0.049 1
1 1016 . 1 1 1 A 93 93 THR HA H 93 4.402 3.997 0.405 1
1 1021 . 1 1 1 A 93 93 THR CA C 93 64.378 66.432 -2.054 1
1 1022 . 1 1 1 A 93 93 THR CB C 93 70.948 68.829 2.119 1
1 1024 . 1 1 1 A 93 93 THR N N 93 113.858 116.896 -3.038 1
1 1025 . 1 1 1 A 94 94 THR H H 94 7.702 7.734 -0.032 1
1 1026 . 1 1 1 A 94 94 THR HA H 94 3.910 4.269 -0.359 1
1 1031 . 1 1 1 A 94 94 THR CA C 94 65.140 61.992 3.148 1
1 1032 . 1 1 1 A 94 94 THR CB C 94 70.001 69.071 0.930 1
1 1034 . 1 1 1 A 94 94 THR N N 94 119.588 115.019 4.569 1
1 1035 . 1 1 1 A 95 95 GLU H H 95 8.407 8.341 0.066 1
1 1036 . 1 1 1 A 95 95 GLU HA H 95 3.801 4.504 -0.703 1
1 1041 . 1 1 1 A 95 95 GLU CA C 95 56.613 55.841 0.772 1
1 1042 . 1 1 1 A 95 95 GLU CB C 95 29.600 29.081 0.519 1
1 1044 . 1 1 1 A 95 95 GLU N N 95 124.764 124.905 -0.141 1
1 1045 . 1 1 1 A 96 96 LEU H H 96 8.750 7.667 1.083 1
1 1046 . 1 1 1 A 96 96 LEU HA H 96 4.260 3.905 0.355 1
1 1056 . 1 1 1 A 96 96 LEU CA C 96 56.927 58.139 -1.212 1
1 1057 . 1 1 1 A 96 96 LEU CB C 96 43.310 41.085 2.225 1
1 1061 . 1 1 1 A 96 96 LEU N N 96 120.035 121.235 -1.200 1
1 1062 . 1 1 1 A 97 97 VAL H H 97 7.053 7.718 -0.665 1
1 1063 . 1 1 1 A 97 97 VAL HA H 97 4.345 4.604 -0.259 1
1 1071 . 1 1 1 A 97 97 VAL CA C 97 61.291 59.548 1.743 1
1 1072 . 1 1 1 A 97 97 VAL CB C 97 31.577 35.349 -3.772 1
1 1075 . 1 1 1 A 97 97 VAL N N 97 112.365 118.053 -5.688 1
1 1076 . 1 1 1 A 98 98 ARG H H 98 8.980 8.814 0.166 1
1 1077 . 1 1 1 A 98 98 ARG HA H 98 5.267 4.957 0.310 1
1 1084 . 1 1 1 A 98 98 ARG CA C 98 55.195 53.969 1.226 1
1 1085 . 1 1 1 A 98 98 ARG CB C 98 32.818 33.961 -1.143 1
1 1088 . 1 1 1 A 98 98 ARG N N 98 127.477 124.554 2.923 1
1 1089 . 1 1 1 A 99 99 VAL H H 99 8.887 8.697 0.190 1
1 1090 . 1 1 1 A 99 99 VAL HA H 99 4.556 5.021 -0.465 1
1 1095 . 1 1 1 A 99 99 VAL CA C 99 60.968 61.121 -0.153 1
1 1096 . 1 1 1 A 99 99 VAL CB C 99 34.186 34.029 0.157 1
1 1098 . 1 1 1 A 99 99 VAL N N 99 122.826 122.372 0.454 1
1 1099 . 1 1 1 A 100 100 THR H H 100 8.833 8.950 -0.117 1
1 1100 . 1 1 1 A 100 100 THR HA H 100 4.559 5.175 -0.616 1
1 1105 . 1 1 1 A 100 100 THR CA C 100 61.080 59.670 1.410 1
1 1106 . 1 1 1 A 100 100 THR CB C 100 70.669 72.197 -1.528 1
1 1108 . 1 1 1 A 100 100 THR N N 100 121.816 120.594 1.222 1
1 1109 . 1 1 1 A 101 101 ASN H H 101 8.153 9.224 -1.071 1
1 1110 . 1 1 1 A 101 101 ASN HA H 101 4.518 4.713 -0.195 1
1 1115 . 1 1 1 A 101 101 ASN CA C 101 54.238 54.930 -0.692 1
1 1116 . 1 1 1 A 101 101 ASN CB C 101 38.470 38.045 0.425 1
1 1117 . 1 1 1 A 101 101 ASN N N 101 122.733 125.222 -2.489 1
1 1119 . 1 1 1 A 102 102 LEU H H 102 8.160 8.824 -0.664 1
1 1120 . 1 1 1 A 102 102 LEU HA H 102 4.245 4.263 -0.018 1
1 1130 . 1 1 1 A 102 102 LEU CA C 102 55.449 57.285 -1.836 1
1 1131 . 1 1 1 A 102 102 LEU CB C 102 42.549 41.471 1.078 1
1 1135 . 1 1 1 A 102 102 LEU N N 102 122.544 119.828 2.716 1
1 1136 . 1 1 1 A 103 103 ASN H H 103 8.405 8.583 -0.178 1
1 1137 . 1 1 1 A 103 103 ASN HA H 103 4.867 4.955 -0.088 1
1 1142 . 1 1 1 A 103 103 ASN CA C 103 51.316 51.177 0.139 1
1 1143 . 1 1 1 A 103 103 ASN CB C 103 39.049 37.494 1.555 1
1 1144 . 1 1 1 A 103 103 ASN N N 103 120.174 121.367 -1.193 1
1 1146 . 1 1 1 A 104 104 PRO HA H 104 4.230 4.393 -0.163 1
1 1153 . 1 1 1 A 104 104 PRO CA C 104 63.559 62.340 1.219 1
1 1154 . 1 1 1 A 104 104 PRO CB C 104 32.102 30.663 1.439 1
1 1157 . 1 1 1 A 105 105 ILE H H 105 7.886 6.868 1.018 1
1 1158 . 1 1 1 A 105 105 ILE HA H 105 3.941 4.256 -0.315 1
1 1168 . 1 1 1 A 105 105 ILE CA C 105 61.348 60.640 0.708 1
1 1169 . 1 1 1 A 105 105 ILE CB C 105 38.569 38.739 -0.170 1
1 1173 . 1 1 1 A 105 105 ILE N N 105 119.390 123.979 -4.589 1
1 1174 . 1 1 1 A 106 106 TYR H H 106 7.961 8.174 -0.213 1
1 1175 . 1 1 1 A 106 106 TYR HA H 106 4.536 5.369 -0.833 1
1 1182 . 1 1 1 A 106 106 TYR CA C 106 57.370 56.979 0.391 1
1 1183 . 1 1 1 A 106 106 TYR CB C 106 38.889 41.075 -2.186 1
1 1184 . 1 1 1 A 106 106 TYR N N 106 123.172 120.872 2.300 1
1 1185 . 1 1 1 A 107 107 ALA H H 107 8.128 8.644 -0.516 1
1 1186 . 1 1 1 A 107 107 ALA HA H 107 4.217 4.788 -0.571 1
1 1190 . 1 1 1 A 107 107 ALA CA C 107 52.724 51.877 0.847 1
1 1191 . 1 1 1 A 107 107 ALA CB C 107 19.133 18.831 0.302 1
1 1192 . 1 1 1 A 107 107 ALA N N 107 125.520 122.028 3.492 1
1 1193 . 1 1 1 A 108 108 ASP H H 108 8.147 8.864 -0.717 1
1 1194 . 1 1 1 A 108 108 ASP HA H 108 4.511 5.268 -0.757 1
1 1197 . 1 1 1 A 108 108 ASP CA C 108 54.342 51.969 2.373 1
1 1198 . 1 1 1 A 108 108 ASP CB C 108 41.240 42.855 -1.615 1
1 1199 . 1 1 1 A 108 108 ASP N N 108 119.219 118.581 0.638 1
1 1200 . 1 1 1 A 109 109 GLY H H 109 8.313 8.451 -0.138 1
1 1201 . 1 1 1 A 109 109 GLY HA2 H 109 3.946 4.202 -0.256 1
1 1202 . 1 1 1 A 109 109 GLY HA3 H 109 3.848 4.206 -0.358 1
1 1203 . 1 1 1 A 109 109 GLY CA C 109 45.692 45.857 -0.165 1
1 1204 . 1 1 1 A 109 109 GLY N N 109 109.478 106.512 2.966 1
1 1205 . 1 1 1 A 110 110 SER H H 110 8.175 8.125 0.050 1
1 1206 . 1 1 1 A 110 110 SER HA H 110 4.286 4.616 -0.330 1
1 1209 . 1 1 1 A 110 110 SER CA C 110 59.296 60.346 -1.050 1
1 1210 . 1 1 1 A 110 110 SER CB C 110 63.825 63.393 0.432 1
1 1211 . 1 1 1 A 110 110 SER N N 110 115.660 112.850 2.810 1
1 1212 . 1 1 1 A 111 111 HIS HA H 111 4.527 4.911 -0.384 1
1 1215 . 1 1 1 A 111 111 HIS CA C 111 56.109 55.418 0.691 1
1 1216 . 1 1 1 A 111 111 HIS CB C 111 30.580 32.017 -1.437 1
1 1217 . 1 1 1 A 112 112 HIS HA H 112 4.535 3.925 0.610 1
1 1220 . 1 1 1 A 112 112 HIS CA C 112 57.411 56.493 0.918 1
1 1221 . 1 1 1 A 112 112 HIS CB C 112 30.756 27.193 3.563 1
1 2 . 2 1 1 A 2 2 VAL H H 2 8.613 8.919 -0.306 1
1 3 . 2 1 1 A 2 2 VAL HA H 2 4.487 4.715 -0.228 1
1 11 . 2 1 1 A 2 2 VAL CA C 2 61.103 61.065 0.038 1
1 12 . 2 1 1 A 2 2 VAL CB C 2 35.731 34.207 1.524 1
1 15 . 2 1 1 A 2 2 VAL N N 2 117.956 125.823 -7.867 1
1 16 . 2 1 1 A 3 3 ILE H H 3 8.439 9.072 -0.633 1
1 17 . 2 1 1 A 3 3 ILE HA H 3 4.498 4.680 -0.182 1
1 27 . 2 1 1 A 3 3 ILE CA C 3 60.172 59.587 0.585 1
1 28 . 2 1 1 A 3 3 ILE CB C 3 38.528 40.862 -2.334 1
1 32 . 2 1 1 A 3 3 ILE N N 3 125.643 125.835 -0.192 1
1 33 . 2 1 1 A 4 4 ILE H H 4 8.543 8.452 0.091 1
1 34 . 2 1 1 A 4 4 ILE HA H 4 4.005 4.333 -0.328 1
1 44 . 2 1 1 A 4 4 ILE CA C 4 61.550 61.008 0.542 1
1 45 . 2 1 1 A 4 4 ILE CB C 4 38.038 36.594 1.444 1
1 49 . 2 1 1 A 4 4 ILE N N 4 127.460 128.697 -1.237 1
1 50 . 2 1 1 A 5 5 LYS H H 5 8.292 8.684 -0.392 1
1 51 . 2 1 1 A 5 5 LYS HA H 5 5.173 4.624 0.549 1
1 60 . 2 1 1 A 5 5 LYS CA C 5 53.276 52.654 0.622 1
1 61 . 2 1 1 A 5 5 LYS CB C 5 33.713 34.003 -0.290 1
1 65 . 2 1 1 A 5 5 LYS N N 5 126.677 127.061 -0.384 1
1 66 . 2 1 1 A 6 6 PRO HA H 6 4.383 4.597 -0.214 1
1 73 . 2 1 1 A 6 6 PRO CA C 6 62.444 62.671 -0.227 1
1 74 . 2 1 1 A 6 6 PRO CB C 6 32.018 32.304 -0.286 1
1 77 . 2 1 1 A 7 7 GLN H H 7 9.359 8.302 1.057 1
1 78 . 2 1 1 A 7 7 GLN HA H 7 4.406 4.178 0.228 1
1 85 . 2 1 1 A 7 7 GLN CA C 7 56.357 56.066 0.291 1
1 86 . 2 1 1 A 7 7 GLN CB C 7 28.784 28.097 0.687 1
1 88 . 2 1 1 A 7 7 GLN N N 7 119.975 119.183 0.792 1
1 90 . 2 1 1 A 8 8 VAL H H 8 7.032 7.363 -0.331 1
1 91 . 2 1 1 A 8 8 VAL HA H 8 4.486 4.770 -0.284 1
1 99 . 2 1 1 A 8 8 VAL CA C 8 58.874 58.839 0.035 1
1 100 . 2 1 1 A 8 8 VAL CB C 8 35.169 36.031 -0.862 1
1 103 . 2 1 1 A 8 8 VAL N N 8 111.122 115.762 -4.640 1
1 104 . 2 1 1 A 9 9 SER H H 9 8.210 8.501 -0.291 1
1 105 . 2 1 1 A 9 9 SER HA H 9 4.957 5.200 -0.243 1
1 108 . 2 1 1 A 9 9 SER CA C 9 56.585 57.101 -0.516 1
1 109 . 2 1 1 A 9 9 SER CB C 9 64.442 64.762 -0.320 1
1 110 . 2 1 1 A 9 9 SER N N 9 115.043 117.671 -2.628 1
1 111 . 2 1 1 A 10 10 GLY H H 10 8.003 7.928 0.075 1
1 112 . 2 1 1 A 10 10 GLY HA2 H 10 4.412 4.198 0.214 1
1 113 . 2 1 1 A 10 10 GLY HA3 H 10 3.645 4.208 -0.563 1
1 114 . 2 1 1 A 10 10 GLY CA C 10 45.292 46.157 -0.865 1
1 115 . 2 1 1 A 10 10 GLY N N 10 108.708 111.320 -2.612 1
1 116 . 2 1 1 A 11 11 VAL H H 11 8.006 7.862 0.144 1
1 117 . 2 1 1 A 11 11 VAL HA H 11 4.743 4.769 -0.026 1
1 125 . 2 1 1 A 11 11 VAL CA C 11 60.539 60.687 -0.148 1
1 126 . 2 1 1 A 11 11 VAL CB C 11 34.951 35.609 -0.658 1
1 129 . 2 1 1 A 11 11 VAL N N 11 118.308 119.992 -1.684 1
1 130 . 2 1 1 A 12 12 ILE H H 12 8.459 8.581 -0.122 1
1 131 . 2 1 1 A 12 12 ILE HA H 12 4.050 4.325 -0.275 1
1 141 . 2 1 1 A 12 12 ILE CA C 12 60.287 62.381 -2.094 1
1 142 . 2 1 1 A 12 12 ILE CB C 12 35.650 38.084 -2.434 1
1 146 . 2 1 1 A 12 12 ILE N N 12 125.265 126.393 -1.128 1
1 147 . 2 1 1 A 13 13 VAL H H 13 8.908 9.385 -0.477 1
1 148 . 2 1 1 A 13 13 VAL HA H 13 4.500 4.295 0.205 1
1 156 . 2 1 1 A 13 13 VAL CA C 13 62.126 63.287 -1.161 1
1 157 . 2 1 1 A 13 13 VAL CB C 13 33.291 33.578 -0.287 1
1 160 . 2 1 1 A 13 13 VAL N N 13 124.479 126.296 -1.817 1
1 161 . 2 1 1 A 14 14 ASN H H 14 7.653 7.632 0.021 1
1 162 . 2 1 1 A 14 14 ASN HA H 14 4.819 5.116 -0.297 1
1 167 . 2 1 1 A 14 14 ASN CA C 14 52.806 52.498 0.308 1
1 168 . 2 1 1 A 14 14 ASN CB C 14 41.978 42.028 -0.050 1
1 169 . 2 1 1 A 14 14 ASN N N 14 114.961 114.870 0.091 1
1 171 . 2 1 1 A 15 15 LYS H H 15 8.404 8.892 -0.488 1
1 172 . 2 1 1 A 15 15 LYS HA H 15 4.641 5.030 -0.389 1
1 179 . 2 1 1 A 15 15 LYS CA C 15 55.935 54.989 0.946 1
1 180 . 2 1 1 A 15 15 LYS CB C 15 35.274 34.603 0.671 1
1 183 . 2 1 1 A 15 15 LYS N N 15 123.768 118.538 5.230 1
1 184 . 2 1 1 A 16 16 LEU H H 16 8.020 8.655 -0.635 1
1 185 . 2 1 1 A 16 16 LEU HA H 16 4.611 4.489 0.122 1
1 195 . 2 1 1 A 16 16 LEU CA C 16 55.124 53.982 1.142 1
1 196 . 2 1 1 A 16 16 LEU CB C 16 41.308 40.745 0.563 1
1 200 . 2 1 1 A 16 16 LEU N N 16 126.162 126.610 -0.448 1
1 201 . 2 1 1 A 17 17 PHE H H 17 6.573 7.704 -1.131 1
1 202 . 2 1 1 A 17 17 PHE HA H 17 4.862 5.131 -0.269 1
1 207 . 2 1 1 A 17 17 PHE CA C 17 55.528 55.281 0.247 1
1 208 . 2 1 1 A 17 17 PHE CB C 17 41.093 42.088 -0.995 1
1 209 . 2 1 1 A 17 17 PHE N N 17 113.628 115.669 -2.041 1
1 210 . 2 1 1 A 18 18 LYS H H 18 8.655 8.455 0.200 1
1 211 . 2 1 1 A 18 18 LYS HA H 18 4.333 4.396 -0.063 1
1 220 . 2 1 1 A 18 18 LYS CA C 18 54.277 53.949 0.328 1
1 221 . 2 1 1 A 18 18 LYS CB C 18 35.134 36.153 -1.019 1
1 225 . 2 1 1 A 18 18 LYS N N 18 120.572 118.164 2.408 1
1 226 . 2 1 1 A 19 19 ALA H H 19 8.407 8.264 0.143 1
1 227 . 2 1 1 A 19 19 ALA HA H 19 3.962 4.769 -0.807 1
1 231 . 2 1 1 A 19 19 ALA CA C 19 53.980 52.458 1.522 1
1 232 . 2 1 1 A 19 19 ALA CB C 19 18.497 19.300 -0.803 1
1 233 . 2 1 1 A 19 19 ALA N N 19 123.842 124.719 -0.877 1
1 234 . 2 1 1 A 20 20 GLY H H 20 8.814 8.619 0.195 1
1 235 . 2 1 1 A 20 20 GLY HA2 H 20 4.313 3.930 0.383 1
1 236 . 2 1 1 A 20 20 GLY HA3 H 20 3.532 3.954 -0.422 1
1 237 . 2 1 1 A 20 20 GLY CA C 20 45.045 45.590 -0.545 1
1 238 . 2 1 1 A 20 20 GLY N N 20 112.434 111.688 0.746 1
1 239 . 2 1 1 A 21 21 ASP H H 21 7.933 7.872 0.061 1
1 240 . 2 1 1 A 21 21 ASP HA H 21 4.499 5.097 -0.598 1
1 243 . 2 1 1 A 21 21 ASP CA C 21 55.383 52.751 2.632 1
1 244 . 2 1 1 A 21 21 ASP CB C 21 41.067 43.524 -2.457 1
1 245 . 2 1 1 A 21 21 ASP N N 21 121.505 120.024 1.481 1
1 246 . 2 1 1 A 22 22 LYS H H 22 8.311 8.334 -0.023 1
1 247 . 2 1 1 A 22 22 LYS HA H 22 4.871 5.146 -0.275 1
1 256 . 2 1 1 A 22 22 LYS CA C 22 55.659 54.565 1.094 1
1 257 . 2 1 1 A 22 22 LYS CB C 22 31.820 35.599 -3.779 1
1 261 . 2 1 1 A 22 22 LYS N N 22 120.225 119.456 0.769 1
1 262 . 2 1 1 A 23 23 VAL H H 23 8.935 8.561 0.374 1
1 263 . 2 1 1 A 23 23 VAL HA H 23 4.841 4.888 -0.047 1
1 271 . 2 1 1 A 23 23 VAL CA C 23 58.502 58.779 -0.277 1
1 272 . 2 1 1 A 23 23 VAL CB C 23 34.507 35.840 -1.333 1
1 275 . 2 1 1 A 23 23 VAL N N 23 117.700 118.472 -0.772 1
1 276 . 2 1 1 A 24 24 LYS H H 24 7.960 8.841 -0.881 1
1 277 . 2 1 1 A 24 24 LYS HA H 24 4.838 4.848 -0.010 1
1 286 . 2 1 1 A 24 24 LYS CA C 24 53.195 54.033 -0.838 1
1 287 . 2 1 1 A 24 24 LYS CB C 24 35.213 35.328 -0.115 1
1 291 . 2 1 1 A 24 24 LYS N N 24 121.958 121.519 0.439 1
1 292 . 2 1 1 A 25 25 LYS H H 25 8.915 8.640 0.275 1
1 293 . 2 1 1 A 25 25 LYS HA H 25 3.156 3.978 -0.822 1
1 300 . 2 1 1 A 25 25 LYS CA C 25 58.648 58.039 0.609 1
1 301 . 2 1 1 A 25 25 LYS CB C 25 32.648 32.025 0.623 1
1 304 . 2 1 1 A 25 25 LYS N N 25 121.653 123.947 -2.294 1
1 305 . 2 1 1 A 26 26 GLY H H 26 8.900 8.730 0.170 1
1 306 . 2 1 1 A 26 26 GLY HA2 H 26 4.283 3.920 0.363 1
1 307 . 2 1 1 A 26 26 GLY HA3 H 26 3.471 3.920 -0.449 1
1 308 . 2 1 1 A 26 26 GLY CA C 26 45.263 45.325 -0.062 1
1 309 . 2 1 1 A 26 26 GLY N N 26 115.268 114.060 1.208 1
1 310 . 2 1 1 A 27 27 GLN H H 27 8.433 8.378 0.055 1
1 311 . 2 1 1 A 27 27 GLN HA H 27 4.141 4.493 -0.352 1
1 318 . 2 1 1 A 27 27 GLN CA C 27 56.324 54.622 1.702 1
1 319 . 2 1 1 A 27 27 GLN CB C 27 30.520 29.906 0.614 1
1 321 . 2 1 1 A 27 27 GLN N N 27 123.155 121.216 1.939 1
1 323 . 2 1 1 A 28 28 THR H H 28 9.110 8.873 0.237 1
1 324 . 2 1 1 A 28 28 THR HA H 28 3.893 4.313 -0.420 1
1 329 . 2 1 1 A 28 28 THR CA C 28 65.828 64.233 1.595 1
1 330 . 2 1 1 A 28 28 THR CB C 28 68.581 69.139 -0.558 1
1 332 . 2 1 1 A 28 28 THR N N 28 124.748 121.441 3.307 1
1 333 . 2 1 1 A 29 29 LEU H H 29 9.509 9.378 0.131 1
1 334 . 2 1 1 A 29 29 LEU HA H 29 4.383 4.462 -0.079 1
1 344 . 2 1 1 A 29 29 LEU CA C 29 55.795 55.585 0.210 1
1 345 . 2 1 1 A 29 29 LEU CB C 29 44.572 44.202 0.370 1
1 349 . 2 1 1 A 29 29 LEU N N 29 125.873 126.567 -0.694 1
1 350 . 2 1 1 A 30 30 PHE H H 30 7.579 7.647 -0.068 1
1 351 . 2 1 1 A 30 30 PHE HA H 30 5.367 5.200 0.167 1
1 359 . 2 1 1 A 30 30 PHE CA C 30 55.486 56.081 -0.595 1
1 360 . 2 1 1 A 30 30 PHE CB C 30 44.887 43.190 1.697 1
1 361 . 2 1 1 A 30 30 PHE N N 30 111.134 114.943 -3.809 1
1 362 . 2 1 1 A 31 31 ILE H H 31 7.858 8.647 -0.789 1
1 363 . 2 1 1 A 31 31 ILE HA H 31 4.817 4.832 -0.015 1
1 373 . 2 1 1 A 31 31 ILE CA C 31 60.063 60.294 -0.231 1
1 374 . 2 1 1 A 31 31 ILE CB C 31 39.395 42.007 -2.612 1
1 378 . 2 1 1 A 31 31 ILE N N 31 119.416 120.216 -0.800 1
1 379 . 2 1 1 A 32 32 ILE H H 32 9.107 8.779 0.328 1
1 380 . 2 1 1 A 32 32 ILE HA H 32 4.842 4.949 -0.107 1
1 390 . 2 1 1 A 32 32 ILE CA C 32 59.002 60.115 -1.113 1
1 391 . 2 1 1 A 32 32 ILE CB C 32 42.048 42.240 -0.192 1
1 395 . 2 1 1 A 32 32 ILE N N 32 127.892 126.582 1.310 1
1 396 . 2 1 1 A 33 33 GLU H H 33 9.095 8.894 0.201 1
1 397 . 2 1 1 A 33 33 GLU HA H 33 4.642 5.186 -0.544 1
1 402 . 2 1 1 A 33 33 GLU CA C 33 54.985 55.544 -0.559 1
1 403 . 2 1 1 A 33 33 GLU CB C 33 31.672 31.049 0.623 1
1 405 . 2 1 1 A 33 33 GLU N N 33 128.157 125.770 2.387 1
1 406 . 2 1 1 A 34 34 GLN H H 34 8.725 9.070 -0.345 1
1 407 . 2 1 1 A 34 34 GLN HA H 34 4.354 4.864 -0.510 1
1 414 . 2 1 1 A 34 34 GLN CA C 34 56.807 55.060 1.747 1
1 415 . 2 1 1 A 34 34 GLN CB C 34 30.119 30.833 -0.714 1
1 417 . 2 1 1 A 34 34 GLN N N 34 128.123 120.090 8.033 1
1 419 . 2 1 1 A 35 35 ASP H H 35 8.524 9.007 -0.483 1
1 420 . 2 1 1 A 35 35 ASP HA H 35 4.609 4.959 -0.350 1
1 423 . 2 1 1 A 35 35 ASP CA C 35 54.226 53.695 0.531 1
1 424 . 2 1 1 A 35 35 ASP CB C 35 41.429 41.987 -0.558 1
1 425 . 2 1 1 A 35 35 ASP N N 35 122.485 118.201 4.284 1
1 426 . 2 1 1 A 36 36 GLN H H 36 8.576 8.132 0.444 1
1 427 . 2 1 1 A 36 36 GLN HA H 36 4.041 4.616 -0.575 1
1 434 . 2 1 1 A 36 36 GLN CA C 36 56.662 55.035 1.627 1
1 435 . 2 1 1 A 36 36 GLN CB C 36 29.166 29.627 -0.461 1
1 437 . 2 1 1 A 36 36 GLN N N 36 123.321 116.721 6.600 1
1 439 . 2 1 1 A 37 37 ALA H H 37 8.322 7.996 0.326 1
1 440 . 2 1 1 A 37 37 ALA HA H 37 4.232 3.906 0.326 1
1 444 . 2 1 1 A 37 37 ALA CA C 37 53.231 55.129 -1.898 1
1 445 . 2 1 1 A 37 37 ALA CB C 37 19.020 18.635 0.385 1
1 446 . 2 1 1 A 37 37 ALA N N 37 123.086 123.657 -0.571 1
1 447 . 2 1 1 A 38 38 SER H H 38 7.919 7.455 0.464 1
1 448 . 2 1 1 A 38 38 SER HA H 38 4.283 4.683 -0.400 1
1 451 . 2 1 1 A 38 38 SER CA C 38 58.884 56.782 2.102 1
1 452 . 2 1 1 A 38 38 SER CB C 38 63.835 65.098 -1.263 1
1 453 . 2 1 1 A 38 38 SER N N 38 113.578 110.208 3.370 1
1 454 . 2 1 1 A 39 39 LYS H H 39 8.153 9.072 -0.919 1
1 455 . 2 1 1 A 39 39 LYS HA H 39 4.140 4.113 0.027 1
1 463 . 2 1 1 A 39 39 LYS CA C 39 57.127 59.112 -1.985 1
1 464 . 2 1 1 A 39 39 LYS CB C 39 32.812 32.069 0.743 1
1 468 . 2 1 1 A 39 39 LYS N N 39 122.651 126.559 -3.908 1
1 469 . 2 1 1 A 40 40 ASP H H 40 8.100 8.103 -0.003 1
1 470 . 2 1 1 A 40 40 ASP HA H 40 4.532 4.556 -0.024 1
1 473 . 2 1 1 A 40 40 ASP CA C 40 54.376 55.574 -1.198 1
1 474 . 2 1 1 A 40 40 ASP CB C 40 41.245 40.577 0.668 1
1 475 . 2 1 1 A 40 40 ASP N N 40 119.441 119.106 0.335 1
1 476 . 2 1 1 A 41 41 PHE H H 41 7.924 8.542 -0.618 1
1 477 . 2 1 1 A 41 41 PHE HA H 41 4.384 4.499 -0.115 1
1 484 . 2 1 1 A 41 41 PHE CA C 41 58.704 59.403 -0.699 1
1 485 . 2 1 1 A 41 41 PHE CB C 41 39.397 40.269 -0.872 1
1 486 . 2 1 1 A 41 41 PHE N N 41 121.124 116.469 4.655 1
1 487 . 2 1 1 A 42 42 ASN H H 42 8.311 7.881 0.430 1
1 488 . 2 1 1 A 42 42 ASN HA H 42 4.523 5.099 -0.576 1
1 492 . 2 1 1 A 42 42 ASN CA C 42 53.133 53.392 -0.259 1
1 493 . 2 1 1 A 42 42 ASN CB C 42 38.801 42.395 -3.594 1
1 494 . 2 1 1 A 42 42 ASN N N 42 120.181 113.285 6.896 1
1 496 . 2 1 1 A 43 43 ARG H H 43 8.133 8.445 -0.312 1
1 497 . 2 1 1 A 43 43 ARG HA H 43 4.115 4.647 -0.532 1
1 504 . 2 1 1 A 43 43 ARG CA C 43 57.051 56.718 0.333 1
1 505 . 2 1 1 A 43 43 ARG CB C 43 30.514 32.204 -1.690 1
1 508 . 2 1 1 A 43 43 ARG N N 43 121.727 123.337 -1.610 1
1 509 . 2 1 1 A 44 44 SER H H 44 8.174 8.172 0.002 1
1 510 . 2 1 1 A 44 44 SER HA H 44 4.286 4.172 0.114 1
1 513 . 2 1 1 A 44 44 SER CA C 44 59.344 62.170 -2.826 1
1 514 . 2 1 1 A 44 44 SER CB C 44 63.357 62.997 0.360 1
1 515 . 2 1 1 A 44 44 SER N N 44 115.718 117.240 -1.522 1
1 516 . 2 1 1 A 45 45 LYS H H 45 7.963 7.655 0.308 1
1 517 . 2 1 1 A 45 45 LYS HA H 45 4.123 4.130 -0.007 1
1 526 . 2 1 1 A 45 45 LYS CA C 45 56.866 58.923 -2.057 1
1 527 . 2 1 1 A 45 45 LYS CB C 45 32.777 32.828 -0.051 1
1 530 . 2 1 1 A 45 45 LYS N N 45 122.326 119.162 3.164 1
1 531 . 2 1 1 A 46 46 ALA H H 46 7.965 7.993 -0.028 1
1 532 . 2 1 1 A 46 46 ALA HA H 46 4.165 4.731 -0.566 1
1 536 . 2 1 1 A 46 46 ALA CA C 46 52.999 52.121 0.878 1
1 537 . 2 1 1 A 46 46 ALA CB C 46 18.944 20.384 -1.440 1
1 538 . 2 1 1 A 46 46 ALA N N 46 123.536 118.060 5.476 1
1 539 . 2 1 1 A 47 47 LEU H H 47 7.898 9.141 -1.243 1
1 540 . 2 1 1 A 47 47 LEU HA H 47 4.158 5.196 -1.038 1
1 550 . 2 1 1 A 47 47 LEU CA C 47 55.583 53.660 1.923 1
1 551 . 2 1 1 A 47 47 LEU CB C 47 42.404 44.846 -2.442 1
1 555 . 2 1 1 A 47 47 LEU N N 47 119.914 124.759 -4.845 1
1 556 . 2 1 1 A 48 48 PHE H H 48 7.981 8.769 -0.788 1
1 557 . 2 1 1 A 48 48 PHE HA H 48 4.539 5.355 -0.816 1
1 564 . 2 1 1 A 48 48 PHE CA C 48 58.033 55.865 2.168 1
1 565 . 2 1 1 A 48 48 PHE CB C 48 39.470 42.323 -2.853 1
1 566 . 2 1 1 A 48 48 PHE N N 48 119.602 120.309 -0.707 1
1 567 . 2 1 1 A 49 49 SER H H 49 8.028 8.969 -0.941 1
1 568 . 2 1 1 A 49 49 SER HA H 49 4.332 4.681 -0.349 1
1 571 . 2 1 1 A 49 49 SER CA C 49 58.581 59.101 -0.520 1
1 572 . 2 1 1 A 49 49 SER CB C 49 63.866 65.846 -1.980 1
1 573 . 2 1 1 A 49 49 SER N N 49 116.270 116.717 -0.447 1
1 574 . 2 1 1 A 50 50 GLN H H 50 8.266 7.887 0.379 1
1 575 . 2 1 1 A 50 50 GLN HA H 50 4.257 4.624 -0.367 1
1 582 . 2 1 1 A 50 50 GLN CA C 50 56.435 54.795 1.640 1
1 583 . 2 1 1 A 50 50 GLN CB C 50 29.204 28.529 0.675 1
1 585 . 2 1 1 A 50 50 GLN N N 50 121.931 116.170 5.761 1
1 587 . 2 1 1 A 51 51 SER H H 51 8.147 8.654 -0.507 1
1 588 . 2 1 1 A 51 51 SER HA H 51 4.338 4.221 0.117 1
1 591 . 2 1 1 A 51 51 SER CA C 51 58.645 59.187 -0.542 1
1 592 . 2 1 1 A 51 51 SER CB C 51 63.784 61.523 2.261 1
1 593 . 2 1 1 A 51 51 SER N N 51 115.676 111.890 3.786 1
1 594 . 2 1 1 A 52 52 ALA H H 52 8.175 7.795 0.380 1
1 595 . 2 1 1 A 52 52 ALA HA H 52 4.265 4.098 0.167 1
1 599 . 2 1 1 A 52 52 ALA CA C 52 53.031 55.122 -2.091 1
1 600 . 2 1 1 A 52 52 ALA CB C 52 18.941 19.260 -0.319 1
1 601 . 2 1 1 A 52 52 ALA N N 52 125.360 121.014 4.346 1
1 602 . 2 1 1 A 53 53 ILE H H 53 7.870 7.706 0.164 1
1 603 . 2 1 1 A 53 53 ILE HA H 53 4.099 4.553 -0.454 1
1 613 . 2 1 1 A 53 53 ILE CA C 53 61.558 59.596 1.962 1
1 614 . 2 1 1 A 53 53 ILE CB C 53 38.851 40.399 -1.548 1
1 618 . 2 1 1 A 53 53 ILE N N 53 118.231 114.468 3.763 1
1 619 . 2 1 1 A 54 54 SER H H 54 8.159 8.737 -0.578 1
1 620 . 2 1 1 A 54 54 SER HA H 54 4.384 4.456 -0.072 1
1 623 . 2 1 1 A 54 54 SER CA C 54 58.551 60.123 -1.572 1
1 624 . 2 1 1 A 54 54 SER CB C 54 63.964 63.456 0.508 1
1 625 . 2 1 1 A 54 54 SER N N 54 118.588 123.352 -4.764 1
1 626 . 2 1 1 A 55 55 GLN H H 55 8.301 8.847 -0.546 1
1 627 . 2 1 1 A 55 55 GLN HA H 55 4.214 4.286 -0.072 1
1 634 . 2 1 1 A 55 55 GLN CA C 55 56.547 58.089 -1.542 1
1 635 . 2 1 1 A 55 55 GLN CB C 55 29.292 28.443 0.849 1
1 637 . 2 1 1 A 55 55 GLN N N 55 122.173 127.009 -4.836 1
1 639 . 2 1 1 A 56 56 LYS H H 56 8.163 8.818 -0.655 1
1 640 . 2 1 1 A 56 56 LYS HA H 56 4.177 4.102 0.075 1
1 647 . 2 1 1 A 56 56 LYS CA C 56 56.978 59.020 -2.042 1
1 648 . 2 1 1 A 56 56 LYS CB C 56 32.855 31.705 1.150 1
1 651 . 2 1 1 A 56 56 LYS N N 56 121.126 118.739 2.387 1
1 652 . 2 1 1 A 57 57 GLU H H 57 8.211 7.875 0.336 1
1 653 . 2 1 1 A 57 57 GLU HA H 57 4.151 4.661 -0.510 1
1 658 . 2 1 1 A 57 57 GLU CA C 57 57.058 56.464 0.594 1
1 659 . 2 1 1 A 57 57 GLU CB C 57 30.211 30.724 -0.513 1
1 661 . 2 1 1 A 57 57 GLU N N 57 120.615 114.910 5.705 1
1 662 . 2 1 1 A 58 58 TYR H H 58 8.070 7.609 0.461 1
1 663 . 2 1 1 A 58 58 TYR HA H 58 4.375 5.051 -0.676 1
1 670 . 2 1 1 A 58 58 TYR CA C 58 58.570 57.021 1.549 1
1 671 . 2 1 1 A 58 58 TYR CB C 58 38.962 43.168 -4.206 1
1 672 . 2 1 1 A 58 58 TYR N N 58 120.822 119.484 1.338 1
1 673 . 2 1 1 A 59 59 ASP H H 59 8.146 8.580 -0.434 1
1 674 . 2 1 1 A 59 59 ASP HA H 59 4.492 4.952 -0.460 1
1 677 . 2 1 1 A 59 59 ASP CA C 59 54.396 53.014 1.382 1
1 678 . 2 1 1 A 59 59 ASP CB C 59 41.086 44.283 -3.197 1
1 679 . 2 1 1 A 59 59 ASP N N 59 122.551 121.026 1.525 1
1 680 . 2 1 1 A 60 60 SER H H 60 8.253 8.563 -0.310 1
1 681 . 2 1 1 A 60 60 SER HA H 60 4.260 4.293 -0.033 1
1 684 . 2 1 1 A 60 60 SER CA C 60 59.533 59.319 0.214 1
1 685 . 2 1 1 A 60 60 SER CB C 60 63.422 63.545 -0.123 1
1 686 . 2 1 1 A 60 60 SER N N 60 117.657 116.022 1.635 1
1 687 . 2 1 1 A 61 61 SER H H 61 8.344 8.260 0.084 1
1 688 . 2 1 1 A 61 61 SER HA H 61 4.307 4.244 0.063 1
1 691 . 2 1 1 A 61 61 SER CA C 61 59.755 61.433 -1.678 1
1 692 . 2 1 1 A 61 61 SER CB C 61 63.582 62.958 0.624 1
1 693 . 2 1 1 A 61 61 SER N N 61 118.129 118.041 0.088 1
1 694 . 2 1 1 A 62 62 LEU H H 62 7.759 7.605 0.154 1
1 695 . 2 1 1 A 62 62 LEU HA H 62 4.234 4.128 0.106 1
1 705 . 2 1 1 A 62 62 LEU CA C 62 55.464 56.576 -1.112 1
1 706 . 2 1 1 A 62 62 LEU CB C 62 42.238 41.728 0.510 1
1 710 . 2 1 1 A 62 62 LEU N N 62 122.627 117.367 5.260 1
1 711 . 2 1 1 A 63 63 ALA H H 63 7.919 7.579 0.340 1
1 712 . 2 1 1 A 63 63 ALA HA H 63 4.276 4.656 -0.380 1
1 716 . 2 1 1 A 63 63 ALA CA C 63 52.922 50.524 2.398 1
1 717 . 2 1 1 A 63 63 ALA CB C 63 19.221 21.259 -2.038 1
1 718 . 2 1 1 A 63 63 ALA N N 63 123.444 120.138 3.306 1
1 719 . 2 1 1 A 64 64 THR H H 64 7.890 8.603 -0.713 1
1 720 . 2 1 1 A 64 64 THR HA H 64 4.217 5.055 -0.838 1
1 725 . 2 1 1 A 64 64 THR CA C 64 61.787 60.129 1.658 1
1 726 . 2 1 1 A 64 64 THR CB C 64 69.719 72.248 -2.529 1
1 728 . 2 1 1 A 64 64 THR N N 64 112.279 106.449 5.830 1
1 729 . 2 1 1 A 65 65 LEU H H 65 8.009 8.895 -0.886 1
1 730 . 2 1 1 A 65 65 LEU HA H 65 4.295 4.784 -0.489 1
1 740 . 2 1 1 A 65 65 LEU CA C 65 55.345 54.312 1.033 1
1 741 . 2 1 1 A 65 65 LEU CB C 65 42.412 43.566 -1.154 1
1 745 . 2 1 1 A 65 65 LEU N N 65 123.586 120.676 2.910 1
1 746 . 2 1 1 A 66 66 ASP H H 66 8.288 8.602 -0.314 1
1 747 . 2 1 1 A 66 66 ASP HA H 66 4.564 4.270 0.294 1
1 750 . 2 1 1 A 66 66 ASP CA C 66 54.676 55.036 -0.360 1
1 751 . 2 1 1 A 66 66 ASP CB C 66 41.376 41.638 -0.262 1
1 752 . 2 1 1 A 66 66 ASP N N 66 120.344 124.271 -3.927 1
1 753 . 2 1 1 A 67 67 HIS H H 67 8.058 8.760 -0.702 1
1 754 . 2 1 1 A 67 67 HIS HA H 67 5.247 5.020 0.227 1
1 758 . 2 1 1 A 67 67 HIS CA C 67 55.260 55.180 0.080 1
1 759 . 2 1 1 A 67 67 HIS CB C 67 31.974 33.931 -1.957 1
1 760 . 2 1 1 A 67 67 HIS N N 67 119.406 117.451 1.955 1
1 761 . 2 1 1 A 68 68 THR H H 68 8.919 9.310 -0.391 1
1 762 . 2 1 1 A 68 68 THR HA H 68 4.484 4.794 -0.310 1
1 767 . 2 1 1 A 68 68 THR CA C 68 62.542 61.918 0.624 1
1 768 . 2 1 1 A 68 68 THR CB C 68 71.067 69.194 1.873 1
1 770 . 2 1 1 A 68 68 THR N N 68 117.233 117.014 0.219 1
1 771 . 2 1 1 A 69 69 GLU H H 69 8.649 8.850 -0.201 1
1 772 . 2 1 1 A 69 69 GLU HA H 69 4.703 4.655 0.048 1
1 777 . 2 1 1 A 69 69 GLU CA C 69 55.886 56.523 -0.637 1
1 778 . 2 1 1 A 69 69 GLU CB C 69 31.746 30.101 1.645 1
1 780 . 2 1 1 A 69 69 GLU N N 69 124.187 126.439 -2.252 1
1 781 . 2 1 1 A 70 70 ILE H H 70 8.601 9.024 -0.423 1
1 782 . 2 1 1 A 70 70 ILE HA H 70 4.405 4.414 -0.009 1
1 792 . 2 1 1 A 70 70 ILE CA C 70 59.234 60.158 -0.924 1
1 793 . 2 1 1 A 70 70 ILE CB C 70 37.318 37.888 -0.570 1
1 797 . 2 1 1 A 70 70 ILE N N 70 123.482 125.821 -2.339 1
1 798 . 2 1 1 A 71 71 LYS H H 71 8.926 8.727 0.199 1
1 799 . 2 1 1 A 71 71 LYS HA H 71 5.078 5.269 -0.191 1
1 806 . 2 1 1 A 71 71 LYS CA C 71 54.584 54.123 0.461 1
1 807 . 2 1 1 A 71 71 LYS CB C 71 36.281 35.574 0.707 1
1 810 . 2 1 1 A 71 71 LYS N N 71 128.267 126.470 1.797 1
1 811 . 2 1 1 A 72 72 ALA H H 72 8.633 8.481 0.152 1
1 812 . 2 1 1 A 72 72 ALA HA H 72 4.067 4.401 -0.334 1
1 816 . 2 1 1 A 72 72 ALA CA C 72 49.967 50.860 -0.893 1
1 817 . 2 1 1 A 72 72 ALA CB C 72 17.255 17.836 -0.581 1
1 818 . 2 1 1 A 72 72 ALA N N 72 123.088 124.349 -1.261 1
1 819 . 2 1 1 A 73 73 PRO HA H 73 4.333 4.202 0.131 1
1 826 . 2 1 1 A 73 73 PRO CA C 73 63.716 64.765 -1.049 1
1 827 . 2 1 1 A 73 73 PRO CB C 73 31.915 31.098 0.817 1
1 830 . 2 1 1 A 74 74 PHE H H 74 6.768 7.298 -0.530 1
1 831 . 2 1 1 A 74 74 PHE HA H 74 4.421 4.721 -0.300 1
1 838 . 2 1 1 A 74 74 PHE CA C 74 54.396 56.893 -2.497 1
1 839 . 2 1 1 A 74 74 PHE CB C 74 40.697 40.944 -0.247 1
1 840 . 2 1 1 A 74 74 PHE N N 74 112.022 114.180 -2.158 1
1 841 . 2 1 1 A 75 75 ASP H H 75 8.583 8.111 0.472 1
1 842 . 2 1 1 A 75 75 ASP HA H 75 4.922 4.735 0.187 1
1 845 . 2 1 1 A 75 75 ASP CA C 75 53.873 54.055 -0.182 1
1 846 . 2 1 1 A 75 75 ASP CB C 75 40.839 42.080 -1.241 1
1 847 . 2 1 1 A 75 75 ASP N N 75 118.252 119.628 -1.376 1
1 848 . 2 1 1 A 76 76 GLY H H 76 8.348 8.196 0.152 1
1 849 . 2 1 1 A 76 76 GLY HA2 H 76 4.236 4.274 -0.038 1
1 850 . 2 1 1 A 76 76 GLY HA3 H 76 4.075 4.312 -0.237 1
1 851 . 2 1 1 A 76 76 GLY CA C 76 46.639 45.457 1.182 1
1 852 . 2 1 1 A 76 76 GLY N N 76 108.729 107.092 1.637 1
1 853 . 2 1 1 A 77 77 THR H H 77 8.623 8.309 0.314 1
1 854 . 2 1 1 A 77 77 THR HA H 77 4.975 5.138 -0.163 1
1 859 . 2 1 1 A 77 77 THR CA C 77 61.752 60.111 1.641 1
1 860 . 2 1 1 A 77 77 THR CB C 77 70.121 72.105 -1.984 1
1 862 . 2 1 1 A 77 77 THR N N 77 116.400 116.499 -0.099 1
1 863 . 2 1 1 A 78 78 ILE H H 78 8.824 9.179 -0.355 1
1 864 . 2 1 1 A 78 78 ILE HA H 78 4.673 5.182 -0.509 1
1 874 . 2 1 1 A 78 78 ILE CA C 78 60.164 59.538 0.626 1
1 875 . 2 1 1 A 78 78 ILE CB C 78 42.973 41.935 1.038 1
1 879 . 2 1 1 A 78 78 ILE N N 78 129.310 126.197 3.113 1
1 880 . 2 1 1 A 79 79 GLY H H 79 8.060 8.497 -0.437 1
1 881 . 2 1 1 A 79 79 GLY HA2 H 79 4.404 4.159 0.245 1
1 882 . 2 1 1 A 79 79 GLY HA3 H 79 3.775 4.165 -0.390 1
1 883 . 2 1 1 A 79 79 GLY CA C 79 44.149 44.752 -0.603 1
1 884 . 2 1 1 A 79 79 GLY N N 79 114.539 116.007 -1.468 1
1 885 . 2 1 1 A 80 80 ASP H H 80 7.804 8.451 -0.647 1
1 886 . 2 1 1 A 80 80 ASP HA H 80 4.703 5.372 -0.669 1
1 889 . 2 1 1 A 80 80 ASP CA C 80 53.703 53.117 0.586 1
1 890 . 2 1 1 A 80 80 ASP CB C 80 41.918 43.271 -1.353 1
1 891 . 2 1 1 A 80 80 ASP N N 80 113.688 121.765 -8.077 1
1 892 . 2 1 1 A 81 81 ALA H H 81 8.566 9.142 -0.576 1
1 893 . 2 1 1 A 81 81 ALA HA H 81 4.571 4.599 -0.028 1
1 897 . 2 1 1 A 81 81 ALA CA C 81 53.312 52.732 0.580 1
1 898 . 2 1 1 A 81 81 ALA CB C 81 20.381 19.282 1.099 1
1 899 . 2 1 1 A 81 81 ALA N N 81 124.136 127.301 -3.165 1
1 900 . 2 1 1 A 82 82 LEU H H 82 8.747 8.804 -0.057 1
1 901 . 2 1 1 A 82 82 LEU HA H 82 4.345 4.375 -0.030 1
1 910 . 2 1 1 A 82 82 LEU CA C 82 55.210 56.286 -1.076 1
1 911 . 2 1 1 A 82 82 LEU CB C 82 41.457 42.952 -1.495 1
1 914 . 2 1 1 A 82 82 LEU N N 82 121.773 125.087 -3.314 1
1 915 . 2 1 1 A 83 83 VAL H H 83 7.141 7.369 -0.228 1
1 916 . 2 1 1 A 83 83 VAL HA H 83 4.496 4.661 -0.165 1
1 924 . 2 1 1 A 83 83 VAL CA C 83 58.502 59.852 -1.350 1
1 925 . 2 1 1 A 83 83 VAL CB C 83 35.229 34.241 0.988 1
1 928 . 2 1 1 A 83 83 VAL N N 83 108.169 114.286 -6.117 1
1 929 . 2 1 1 A 84 84 ASN H H 84 9.076 8.717 0.359 1
1 930 . 2 1 1 A 84 84 ASN HA H 84 4.887 5.309 -0.422 1
1 935 . 2 1 1 A 84 84 ASN CA C 84 51.248 51.544 -0.296 1
1 936 . 2 1 1 A 84 84 ASN CB C 84 41.989 41.909 0.080 1
1 937 . 2 1 1 A 84 84 ASN N N 84 119.502 118.544 0.958 1
1 939 . 2 1 1 A 85 85 ILE H H 85 8.404 8.426 -0.022 1
1 940 . 2 1 1 A 85 85 ILE HA H 85 3.393 4.167 -0.774 1
1 950 . 2 1 1 A 85 85 ILE CA C 85 63.873 62.236 1.637 1
1 951 . 2 1 1 A 85 85 ILE CB C 85 37.146 38.639 -1.493 1
1 955 . 2 1 1 A 85 85 ILE N N 85 119.409 120.762 -1.353 1
1 956 . 2 1 1 A 86 86 GLY H H 86 9.239 8.652 0.587 1
1 957 . 2 1 1 A 86 86 GLY HA2 H 86 4.401 3.903 0.498 1
1 958 . 2 1 1 A 86 86 GLY HA3 H 86 3.411 3.905 -0.494 1
1 959 . 2 1 1 A 86 86 GLY CA C 86 44.869 45.653 -0.784 1
1 960 . 2 1 1 A 86 86 GLY N N 86 117.321 115.599 1.722 1
1 961 . 2 1 1 A 87 87 ASP H H 87 7.968 7.858 0.110 1
1 962 . 2 1 1 A 87 87 ASP HA H 87 4.607 5.035 -0.428 1
1 965 . 2 1 1 A 87 87 ASP CA C 87 54.886 52.907 1.979 1
1 966 . 2 1 1 A 87 87 ASP CB C 87 40.771 43.130 -2.359 1
1 967 . 2 1 1 A 87 87 ASP N N 87 121.490 120.755 0.735 1
1 968 . 2 1 1 A 88 88 TYR H H 88 8.566 8.937 -0.371 1
1 969 . 2 1 1 A 88 88 TYR HA H 88 4.712 4.904 -0.192 1
1 976 . 2 1 1 A 88 88 TYR CA C 88 57.826 59.668 -1.842 1
1 977 . 2 1 1 A 88 88 TYR CB C 88 39.243 39.254 -0.011 1
1 978 . 2 1 1 A 88 88 TYR N N 88 122.340 126.520 -4.180 1
1 979 . 2 1 1 A 89 89 VAL H H 89 8.951 7.995 0.956 1
1 980 . 2 1 1 A 89 89 VAL HA H 89 4.578 4.772 -0.194 1
1 988 . 2 1 1 A 89 89 VAL CA C 89 58.339 59.287 -0.948 1
1 989 . 2 1 1 A 89 89 VAL CB C 89 34.321 35.684 -1.363 1
1 992 . 2 1 1 A 89 89 VAL N N 89 121.914 120.998 0.916 1
1 993 . 2 1 1 A 90 90 SER H H 90 8.777 9.177 -0.400 1
1 994 . 2 1 1 A 90 90 SER HA H 90 4.750 4.477 0.273 1
1 997 . 2 1 1 A 90 90 SER CA C 90 56.895 56.898 -0.003 1
1 998 . 2 1 1 A 90 90 SER CB C 90 64.866 65.526 -0.660 1
1 999 . 2 1 1 A 90 90 SER N N 90 114.813 119.385 -4.572 1
1 1000 . 2 1 1 A 91 91 ALA H H 91 8.712 8.940 -0.228 1
1 1001 . 2 1 1 A 91 91 ALA HA H 91 3.515 4.004 -0.489 1
1 1005 . 2 1 1 A 91 91 ALA CA C 91 53.317 54.967 -1.650 1
1 1006 . 2 1 1 A 91 91 ALA CB C 91 18.678 18.969 -0.291 1
1 1007 . 2 1 1 A 91 91 ALA N N 91 129.870 125.394 4.476 1
1 1008 . 2 1 1 A 92 92 SER H H 92 9.170 8.064 1.106 1
1 1009 . 2 1 1 A 92 92 SER HA H 92 3.817 4.376 -0.559 1
1 1012 . 2 1 1 A 92 92 SER CA C 92 60.652 58.622 2.030 1
1 1013 . 2 1 1 A 92 92 SER CB C 92 62.505 63.519 -1.014 1
1 1014 . 2 1 1 A 92 92 SER N N 92 113.294 112.426 0.868 1
1 1015 . 2 1 1 A 93 93 THR H H 93 7.816 7.577 0.239 1
1 1016 . 2 1 1 A 93 93 THR HA H 93 4.402 4.235 0.167 1
1 1021 . 2 1 1 A 93 93 THR CA C 93 64.378 64.480 -0.102 1
1 1022 . 2 1 1 A 93 93 THR CB C 93 70.948 69.388 1.560 1
1 1024 . 2 1 1 A 93 93 THR N N 93 113.858 113.447 0.411 1
1 1025 . 2 1 1 A 94 94 THR H H 94 7.702 7.707 -0.005 1
1 1026 . 2 1 1 A 94 94 THR HA H 94 3.910 4.396 -0.486 1
1 1031 . 2 1 1 A 94 94 THR CA C 94 65.140 61.757 3.383 1
1 1032 . 2 1 1 A 94 94 THR CB C 94 70.001 67.816 2.185 1
1 1034 . 2 1 1 A 94 94 THR N N 94 119.588 114.852 4.736 1
1 1035 . 2 1 1 A 95 95 GLU H H 95 8.407 8.309 0.098 1
1 1036 . 2 1 1 A 95 95 GLU HA H 95 3.801 4.458 -0.657 1
1 1041 . 2 1 1 A 95 95 GLU CA C 95 56.613 55.933 0.680 1
1 1042 . 2 1 1 A 95 95 GLU CB C 95 29.600 28.807 0.793 1
1 1044 . 2 1 1 A 95 95 GLU N N 95 124.764 126.200 -1.436 1
1 1045 . 2 1 1 A 96 96 LEU H H 96 8.750 7.835 0.915 1
1 1046 . 2 1 1 A 96 96 LEU HA H 96 4.260 3.922 0.338 1
1 1056 . 2 1 1 A 96 96 LEU CA C 96 56.927 58.078 -1.151 1
1 1057 . 2 1 1 A 96 96 LEU CB C 96 43.310 41.132 2.178 1
1 1061 . 2 1 1 A 96 96 LEU N N 96 120.035 121.414 -1.379 1
1 1062 . 2 1 1 A 97 97 VAL H H 97 7.053 7.597 -0.544 1
1 1063 . 2 1 1 A 97 97 VAL HA H 97 4.345 4.652 -0.307 1
1 1071 . 2 1 1 A 97 97 VAL CA C 97 61.291 59.687 1.604 1
1 1072 . 2 1 1 A 97 97 VAL CB C 97 31.577 35.828 -4.251 1
1 1075 . 2 1 1 A 97 97 VAL N N 97 112.365 117.626 -5.261 1
1 1076 . 2 1 1 A 98 98 ARG H H 98 8.980 8.771 0.209 1
1 1077 . 2 1 1 A 98 98 ARG HA H 98 5.267 5.035 0.232 1
1 1084 . 2 1 1 A 98 98 ARG CA C 98 55.195 54.632 0.563 1
1 1085 . 2 1 1 A 98 98 ARG CB C 98 32.818 33.156 -0.338 1
1 1088 . 2 1 1 A 98 98 ARG N N 98 127.477 126.065 1.412 1
1 1089 . 2 1 1 A 99 99 VAL H H 99 8.887 8.852 0.035 1
1 1090 . 2 1 1 A 99 99 VAL HA H 99 4.556 5.485 -0.929 1
1 1095 . 2 1 1 A 99 99 VAL CA C 99 60.968 60.082 0.886 1
1 1096 . 2 1 1 A 99 99 VAL CB C 99 34.186 34.535 -0.349 1
1 1098 . 2 1 1 A 99 99 VAL N N 99 122.826 120.624 2.202 1
1 1099 . 2 1 1 A 100 100 THR H H 100 8.833 8.625 0.208 1
1 1100 . 2 1 1 A 100 100 THR HA H 100 4.559 4.937 -0.378 1
1 1105 . 2 1 1 A 100 100 THR CA C 100 61.080 59.775 1.305 1
1 1106 . 2 1 1 A 100 100 THR CB C 100 70.669 71.696 -1.027 1
1 1108 . 2 1 1 A 100 100 THR N N 100 121.816 122.213 -0.397 1
1 1109 . 2 1 1 A 101 101 ASN H H 101 8.153 8.798 -0.645 1
1 1110 . 2 1 1 A 101 101 ASN HA H 101 4.518 4.356 0.162 1
1 1115 . 2 1 1 A 101 101 ASN CA C 101 54.238 53.882 0.356 1
1 1116 . 2 1 1 A 101 101 ASN CB C 101 38.470 37.141 1.329 1
1 1117 . 2 1 1 A 101 101 ASN N N 101 122.733 120.760 1.973 1
1 1119 . 2 1 1 A 102 102 LEU H H 102 8.160 7.885 0.275 1
1 1120 . 2 1 1 A 102 102 LEU HA H 102 4.245 4.895 -0.650 1
1 1130 . 2 1 1 A 102 102 LEU CA C 102 55.449 53.635 1.814 1
1 1131 . 2 1 1 A 102 102 LEU CB C 102 42.549 45.288 -2.739 1
1 1135 . 2 1 1 A 102 102 LEU N N 102 122.544 117.260 5.284 1
1 1136 . 2 1 1 A 103 103 ASN H H 103 8.405 8.588 -0.183 1
1 1137 . 2 1 1 A 103 103 ASN HA H 103 4.867 5.037 -0.170 1
1 1142 . 2 1 1 A 103 103 ASN CA C 103 51.316 51.642 -0.326 1
1 1143 . 2 1 1 A 103 103 ASN CB C 103 39.049 37.639 1.410 1
1 1144 . 2 1 1 A 103 103 ASN N N 103 120.174 117.638 2.536 1
1 1146 . 2 1 1 A 104 104 PRO HA H 104 4.230 4.761 -0.531 1
1 1153 . 2 1 1 A 104 104 PRO CA C 104 63.559 62.631 0.928 1
1 1154 . 2 1 1 A 104 104 PRO CB C 104 32.102 30.930 1.172 1
1 1157 . 2 1 1 A 105 105 ILE H H 105 7.886 8.588 -0.702 1
1 1158 . 2 1 1 A 105 105 ILE HA H 105 3.941 4.589 -0.648 1
1 1168 . 2 1 1 A 105 105 ILE CA C 105 61.348 59.897 1.451 1
1 1169 . 2 1 1 A 105 105 ILE CB C 105 38.569 40.143 -1.574 1
1 1173 . 2 1 1 A 105 105 ILE N N 105 119.390 124.194 -4.804 1
1 1174 . 2 1 1 A 106 106 TYR H H 106 7.961 8.262 -0.301 1
1 1175 . 2 1 1 A 106 106 TYR HA H 106 4.536 4.927 -0.391 1
1 1182 . 2 1 1 A 106 106 TYR CA C 106 57.370 56.936 0.434 1
1 1183 . 2 1 1 A 106 106 TYR CB C 106 38.889 39.736 -0.847 1
1 1184 . 2 1 1 A 106 106 TYR N N 106 123.172 122.011 1.161 1
1 1185 . 2 1 1 A 107 107 ALA H H 107 8.128 7.434 0.694 1
1 1186 . 2 1 1 A 107 107 ALA HA H 107 4.217 4.547 -0.330 1
1 1190 . 2 1 1 A 107 107 ALA CA C 107 52.724 51.122 1.602 1
1 1191 . 2 1 1 A 107 107 ALA CB C 107 19.133 22.258 -3.125 1
1 1192 . 2 1 1 A 107 107 ALA N N 107 125.520 120.459 5.061 1
1 1193 . 2 1 1 A 108 108 ASP H H 108 8.147 8.601 -0.454 1
1 1194 . 2 1 1 A 108 108 ASP HA H 108 4.511 4.979 -0.468 1
1 1197 . 2 1 1 A 108 108 ASP CA C 108 54.342 53.924 0.418 1
1 1198 . 2 1 1 A 108 108 ASP CB C 108 41.240 42.433 -1.193 1
1 1199 . 2 1 1 A 108 108 ASP N N 108 119.219 117.635 1.584 1
1 1200 . 2 1 1 A 109 109 GLY H H 109 8.313 8.084 0.229 1
1 1201 . 2 1 1 A 109 109 GLY HA2 H 109 3.946 4.021 -0.075 1
1 1202 . 2 1 1 A 109 109 GLY HA3 H 109 3.848 4.032 -0.184 1
1 1203 . 2 1 1 A 109 109 GLY CA C 109 45.692 46.207 -0.515 1
1 1204 . 2 1 1 A 109 109 GLY N N 109 109.478 109.577 -0.099 1
1 1205 . 2 1 1 A 110 110 SER H H 110 8.175 8.281 -0.106 1
1 1206 . 2 1 1 A 110 110 SER HA H 110 4.286 4.237 0.049 1
1 1209 . 2 1 1 A 110 110 SER CA C 110 59.296 61.737 -2.441 1
1 1210 . 2 1 1 A 110 110 SER CB C 110 63.825 63.127 0.698 1
1 1211 . 2 1 1 A 110 110 SER N N 110 115.660 117.194 -1.534 1
1 1212 . 2 1 1 A 111 111 HIS HA H 111 4.527 4.310 0.217 1
1 1215 . 2 1 1 A 111 111 HIS CA C 111 56.109 56.800 -0.691 1
1 1216 . 2 1 1 A 111 111 HIS CB C 111 30.580 28.186 2.394 1
1 1217 . 2 1 1 A 112 112 HIS HA H 112 4.535 4.828 -0.293 1
1 1220 . 2 1 1 A 112 112 HIS CA C 112 57.411 55.730 1.681 1
1 1221 . 2 1 1 A 112 112 HIS CB C 112 30.756 31.825 -1.069 1
1 2 . 3 1 1 A 2 2 VAL H H 2 8.613 8.588 0.025 1
1 3 . 3 1 1 A 2 2 VAL HA H 2 4.487 4.897 -0.410 1
1 11 . 3 1 1 A 2 2 VAL CA C 2 61.103 60.387 0.716 1
1 12 . 3 1 1 A 2 2 VAL CB C 2 35.731 35.866 -0.135 1
1 15 . 3 1 1 A 2 2 VAL N N 2 117.956 124.018 -6.062 1
1 16 . 3 1 1 A 3 3 ILE H H 3 8.439 8.955 -0.516 1
1 17 . 3 1 1 A 3 3 ILE HA H 3 4.498 4.794 -0.296 1
1 27 . 3 1 1 A 3 3 ILE CA C 3 60.172 59.584 0.588 1
1 28 . 3 1 1 A 3 3 ILE CB C 3 38.528 41.386 -2.858 1
1 32 . 3 1 1 A 3 3 ILE N N 3 125.643 126.279 -0.636 1
1 33 . 3 1 1 A 4 4 ILE H H 4 8.543 8.749 -0.206 1
1 34 . 3 1 1 A 4 4 ILE HA H 4 4.005 4.472 -0.467 1
1 44 . 3 1 1 A 4 4 ILE CA C 4 61.550 60.488 1.062 1
1 45 . 3 1 1 A 4 4 ILE CB C 4 38.038 37.963 0.075 1
1 49 . 3 1 1 A 4 4 ILE N N 4 127.460 127.813 -0.353 1
1 50 . 3 1 1 A 5 5 LYS H H 5 8.292 8.673 -0.381 1
1 51 . 3 1 1 A 5 5 LYS HA H 5 5.173 4.676 0.497 1
1 60 . 3 1 1 A 5 5 LYS CA C 5 53.276 52.882 0.394 1
1 61 . 3 1 1 A 5 5 LYS CB C 5 33.713 34.413 -0.700 1
1 65 . 3 1 1 A 5 5 LYS N N 5 126.677 126.526 0.151 1
1 66 . 3 1 1 A 6 6 PRO HA H 6 4.383 4.594 -0.211 1
1 73 . 3 1 1 A 6 6 PRO CA C 6 62.444 62.728 -0.284 1
1 74 . 3 1 1 A 6 6 PRO CB C 6 32.018 32.683 -0.665 1
1 77 . 3 1 1 A 7 7 GLN H H 7 9.359 8.462 0.897 1
1 78 . 3 1 1 A 7 7 GLN HA H 7 4.406 4.468 -0.062 1
1 85 . 3 1 1 A 7 7 GLN CA C 7 56.357 56.067 0.290 1
1 86 . 3 1 1 A 7 7 GLN CB C 7 28.784 29.676 -0.892 1
1 88 . 3 1 1 A 7 7 GLN N N 7 119.975 120.421 -0.446 1
1 90 . 3 1 1 A 8 8 VAL H H 8 7.032 7.451 -0.419 1
1 91 . 3 1 1 A 8 8 VAL HA H 8 4.486 4.672 -0.186 1
1 99 . 3 1 1 A 8 8 VAL CA C 8 58.874 59.031 -0.157 1
1 100 . 3 1 1 A 8 8 VAL CB C 8 35.169 35.787 -0.618 1
1 103 . 3 1 1 A 8 8 VAL N N 8 111.122 118.161 -7.039 1
1 104 . 3 1 1 A 9 9 SER H H 9 8.210 8.806 -0.596 1
1 105 . 3 1 1 A 9 9 SER HA H 9 4.957 5.344 -0.387 1
1 108 . 3 1 1 A 9 9 SER CA C 9 56.585 56.460 0.125 1
1 109 . 3 1 1 A 9 9 SER CB C 9 64.442 64.931 -0.489 1
1 110 . 3 1 1 A 9 9 SER N N 9 115.043 116.248 -1.205 1
1 111 . 3 1 1 A 10 10 GLY H H 10 8.003 8.143 -0.140 1
1 112 . 3 1 1 A 10 10 GLY HA2 H 10 4.412 4.155 0.257 1
1 113 . 3 1 1 A 10 10 GLY HA3 H 10 3.645 4.175 -0.530 1
1 114 . 3 1 1 A 10 10 GLY CA C 10 45.292 46.006 -0.714 1
1 115 . 3 1 1 A 10 10 GLY N N 10 108.708 109.757 -1.049 1
1 116 . 3 1 1 A 11 11 VAL H H 11 8.006 7.837 0.169 1
1 117 . 3 1 1 A 11 11 VAL HA H 11 4.743 4.702 0.041 1
1 125 . 3 1 1 A 11 11 VAL CA C 11 60.539 60.644 -0.105 1
1 126 . 3 1 1 A 11 11 VAL CB C 11 34.951 35.373 -0.422 1
1 129 . 3 1 1 A 11 11 VAL N N 11 118.308 120.241 -1.933 1
1 130 . 3 1 1 A 12 12 ILE H H 12 8.459 8.552 -0.093 1
1 131 . 3 1 1 A 12 12 ILE HA H 12 4.050 4.293 -0.243 1
1 141 . 3 1 1 A 12 12 ILE CA C 12 60.287 62.420 -2.133 1
1 142 . 3 1 1 A 12 12 ILE CB C 12 35.650 38.005 -2.355 1
1 146 . 3 1 1 A 12 12 ILE N N 12 125.265 126.453 -1.188 1
1 147 . 3 1 1 A 13 13 VAL H H 13 8.908 9.505 -0.597 1
1 148 . 3 1 1 A 13 13 VAL HA H 13 4.500 4.184 0.316 1
1 156 . 3 1 1 A 13 13 VAL CA C 13 62.126 63.417 -1.291 1
1 157 . 3 1 1 A 13 13 VAL CB C 13 33.291 33.283 0.008 1
1 160 . 3 1 1 A 13 13 VAL N N 13 124.479 126.326 -1.847 1
1 161 . 3 1 1 A 14 14 ASN H H 14 7.653 7.601 0.052 1
1 162 . 3 1 1 A 14 14 ASN HA H 14 4.819 5.037 -0.218 1
1 167 . 3 1 1 A 14 14 ASN CA C 14 52.806 52.574 0.232 1
1 168 . 3 1 1 A 14 14 ASN CB C 14 41.978 41.855 0.123 1
1 169 . 3 1 1 A 14 14 ASN N N 14 114.961 114.418 0.543 1
1 171 . 3 1 1 A 15 15 LYS H H 15 8.404 8.591 -0.187 1
1 172 . 3 1 1 A 15 15 LYS HA H 15 4.641 4.701 -0.060 1
1 179 . 3 1 1 A 15 15 LYS CA C 15 55.935 54.436 1.499 1
1 180 . 3 1 1 A 15 15 LYS CB C 15 35.274 34.463 0.811 1
1 183 . 3 1 1 A 15 15 LYS N N 15 123.768 119.361 4.407 1
1 184 . 3 1 1 A 16 16 LEU H H 16 8.020 8.715 -0.695 1
1 185 . 3 1 1 A 16 16 LEU HA H 16 4.611 4.481 0.130 1
1 195 . 3 1 1 A 16 16 LEU CA C 16 55.124 53.872 1.252 1
1 196 . 3 1 1 A 16 16 LEU CB C 16 41.308 40.488 0.820 1
1 200 . 3 1 1 A 16 16 LEU N N 16 126.162 126.598 -0.436 1
1 201 . 3 1 1 A 17 17 PHE H H 17 6.573 7.574 -1.001 1
1 202 . 3 1 1 A 17 17 PHE HA H 17 4.862 5.246 -0.384 1
1 207 . 3 1 1 A 17 17 PHE CA C 17 55.528 55.408 0.120 1
1 208 . 3 1 1 A 17 17 PHE CB C 17 41.093 42.498 -1.405 1
1 209 . 3 1 1 A 17 17 PHE N N 17 113.628 115.169 -1.541 1
1 210 . 3 1 1 A 18 18 LYS H H 18 8.655 8.636 0.019 1
1 211 . 3 1 1 A 18 18 LYS HA H 18 4.333 4.560 -0.227 1
1 220 . 3 1 1 A 18 18 LYS CA C 18 54.277 54.132 0.145 1
1 221 . 3 1 1 A 18 18 LYS CB C 18 35.134 36.180 -1.046 1
1 225 . 3 1 1 A 18 18 LYS N N 18 120.572 118.576 1.996 1
1 226 . 3 1 1 A 19 19 ALA H H 19 8.407 8.370 0.037 1
1 227 . 3 1 1 A 19 19 ALA HA H 19 3.962 4.745 -0.783 1
1 231 . 3 1 1 A 19 19 ALA CA C 19 53.980 52.502 1.478 1
1 232 . 3 1 1 A 19 19 ALA CB C 19 18.497 19.346 -0.849 1
1 233 . 3 1 1 A 19 19 ALA N N 19 123.842 124.959 -1.117 1
1 234 . 3 1 1 A 20 20 GLY H H 20 8.814 8.633 0.181 1
1 235 . 3 1 1 A 20 20 GLY HA2 H 20 4.313 3.954 0.359 1
1 236 . 3 1 1 A 20 20 GLY HA3 H 20 3.532 3.970 -0.438 1
1 237 . 3 1 1 A 20 20 GLY CA C 20 45.045 45.420 -0.375 1
1 238 . 3 1 1 A 20 20 GLY N N 20 112.434 111.762 0.672 1
1 239 . 3 1 1 A 21 21 ASP H H 21 7.933 8.014 -0.081 1
1 240 . 3 1 1 A 21 21 ASP HA H 21 4.499 4.954 -0.455 1
1 243 . 3 1 1 A 21 21 ASP CA C 21 55.383 53.755 1.628 1
1 244 . 3 1 1 A 21 21 ASP CB C 21 41.067 42.795 -1.728 1
1 245 . 3 1 1 A 21 21 ASP N N 21 121.505 120.622 0.883 1
1 246 . 3 1 1 A 22 22 LYS H H 22 8.311 8.511 -0.200 1
1 247 . 3 1 1 A 22 22 LYS HA H 22 4.871 5.203 -0.332 1
1 256 . 3 1 1 A 22 22 LYS CA C 22 55.659 55.277 0.382 1
1 257 . 3 1 1 A 22 22 LYS CB C 22 31.820 34.486 -2.666 1
1 261 . 3 1 1 A 22 22 LYS N N 22 120.225 118.152 2.073 1
1 262 . 3 1 1 A 23 23 VAL H H 23 8.935 9.144 -0.209 1
1 263 . 3 1 1 A 23 23 VAL HA H 23 4.841 5.105 -0.264 1
1 271 . 3 1 1 A 23 23 VAL CA C 23 58.502 59.308 -0.806 1
1 272 . 3 1 1 A 23 23 VAL CB C 23 34.507 35.309 -0.802 1
1 275 . 3 1 1 A 23 23 VAL N N 23 117.700 114.973 2.727 1
1 276 . 3 1 1 A 24 24 LYS H H 24 7.960 8.852 -0.892 1
1 277 . 3 1 1 A 24 24 LYS HA H 24 4.838 5.131 -0.293 1
1 286 . 3 1 1 A 24 24 LYS CA C 24 53.195 54.305 -1.110 1
1 287 . 3 1 1 A 24 24 LYS CB C 24 35.213 36.314 -1.101 1
1 291 . 3 1 1 A 24 24 LYS N N 24 121.958 121.129 0.829 1
1 292 . 3 1 1 A 25 25 LYS H H 25 8.915 8.320 0.595 1
1 293 . 3 1 1 A 25 25 LYS HA H 25 3.156 3.891 -0.735 1
1 300 . 3 1 1 A 25 25 LYS CA C 25 58.648 58.553 0.095 1
1 301 . 3 1 1 A 25 25 LYS CB C 25 32.648 32.069 0.579 1
1 304 . 3 1 1 A 25 25 LYS N N 25 121.653 124.905 -3.252 1
1 305 . 3 1 1 A 26 26 GLY H H 26 8.900 8.648 0.252 1
1 306 . 3 1 1 A 26 26 GLY HA2 H 26 4.283 3.936 0.347 1
1 307 . 3 1 1 A 26 26 GLY HA3 H 26 3.471 3.940 -0.469 1
1 308 . 3 1 1 A 26 26 GLY CA C 26 45.263 45.496 -0.233 1
1 309 . 3 1 1 A 26 26 GLY N N 26 115.268 112.618 2.650 1
1 310 . 3 1 1 A 27 27 GLN H H 27 8.433 8.224 0.209 1
1 311 . 3 1 1 A 27 27 GLN HA H 27 4.141 4.436 -0.295 1
1 318 . 3 1 1 A 27 27 GLN CA C 27 56.324 55.429 0.895 1
1 319 . 3 1 1 A 27 27 GLN CB C 27 30.520 29.955 0.565 1
1 321 . 3 1 1 A 27 27 GLN N N 27 123.155 120.792 2.363 1
1 323 . 3 1 1 A 28 28 THR H H 28 9.110 8.943 0.167 1
1 324 . 3 1 1 A 28 28 THR HA H 28 3.893 4.218 -0.325 1
1 329 . 3 1 1 A 28 28 THR CA C 28 65.828 64.120 1.708 1
1 330 . 3 1 1 A 28 28 THR CB C 28 68.581 69.139 -0.558 1
1 332 . 3 1 1 A 28 28 THR N N 28 124.748 121.394 3.354 1
1 333 . 3 1 1 A 29 29 LEU H H 29 9.509 8.811 0.698 1
1 334 . 3 1 1 A 29 29 LEU HA H 29 4.383 4.592 -0.209 1
1 344 . 3 1 1 A 29 29 LEU CA C 29 55.795 55.627 0.168 1
1 345 . 3 1 1 A 29 29 LEU CB C 29 44.572 44.516 0.056 1
1 349 . 3 1 1 A 29 29 LEU N N 29 125.873 126.465 -0.592 1
1 350 . 3 1 1 A 30 30 PHE H H 30 7.579 7.775 -0.196 1
1 351 . 3 1 1 A 30 30 PHE HA H 30 5.367 5.342 0.025 1
1 359 . 3 1 1 A 30 30 PHE CA C 30 55.486 56.051 -0.565 1
1 360 . 3 1 1 A 30 30 PHE CB C 30 44.887 42.999 1.888 1
1 361 . 3 1 1 A 30 30 PHE N N 30 111.134 114.893 -3.759 1
1 362 . 3 1 1 A 31 31 ILE H H 31 7.858 8.537 -0.679 1
1 363 . 3 1 1 A 31 31 ILE HA H 31 4.817 4.937 -0.120 1
1 373 . 3 1 1 A 31 31 ILE CA C 31 60.063 60.112 -0.049 1
1 374 . 3 1 1 A 31 31 ILE CB C 31 39.395 42.464 -3.069 1
1 378 . 3 1 1 A 31 31 ILE N N 31 119.416 119.728 -0.312 1
1 379 . 3 1 1 A 32 32 ILE H H 32 9.107 8.569 0.538 1
1 380 . 3 1 1 A 32 32 ILE HA H 32 4.842 4.964 -0.122 1
1 390 . 3 1 1 A 32 32 ILE CA C 32 59.002 60.401 -1.399 1
1 391 . 3 1 1 A 32 32 ILE CB C 32 42.048 41.323 0.725 1
1 395 . 3 1 1 A 32 32 ILE N N 32 127.892 126.501 1.391 1
1 396 . 3 1 1 A 33 33 GLU H H 33 9.095 8.751 0.344 1
1 397 . 3 1 1 A 33 33 GLU HA H 33 4.642 4.914 -0.272 1
1 402 . 3 1 1 A 33 33 GLU CA C 33 54.985 55.690 -0.705 1
1 403 . 3 1 1 A 33 33 GLU CB C 33 31.672 30.462 1.210 1
1 405 . 3 1 1 A 33 33 GLU N N 33 128.157 127.772 0.385 1
1 406 . 3 1 1 A 34 34 GLN H H 34 8.725 8.982 -0.257 1
1 407 . 3 1 1 A 34 34 GLN HA H 34 4.354 5.238 -0.884 1
1 414 . 3 1 1 A 34 34 GLN CA C 34 56.807 53.504 3.303 1
1 415 . 3 1 1 A 34 34 GLN CB C 34 30.119 33.145 -3.026 1
1 417 . 3 1 1 A 34 34 GLN N N 34 128.123 120.867 7.256 1
1 419 . 3 1 1 A 35 35 ASP H H 35 8.524 8.467 0.057 1
1 420 . 3 1 1 A 35 35 ASP HA H 35 4.609 3.687 0.922 1
1 423 . 3 1 1 A 35 35 ASP CA C 35 54.226 52.587 1.639 1
1 424 . 3 1 1 A 35 35 ASP CB C 35 41.429 41.291 0.138 1
1 425 . 3 1 1 A 35 35 ASP N N 35 122.485 120.959 1.526 1
1 426 . 3 1 1 A 36 36 GLN H H 36 8.576 8.259 0.317 1
1 427 . 3 1 1 A 36 36 GLN HA H 36 4.041 4.089 -0.048 1
1 434 . 3 1 1 A 36 36 GLN CA C 36 56.662 58.066 -1.404 1
1 435 . 3 1 1 A 36 36 GLN CB C 36 29.166 27.557 1.609 1
1 437 . 3 1 1 A 36 36 GLN N N 36 123.321 115.915 7.406 1
1 439 . 3 1 1 A 37 37 ALA H H 37 8.322 8.699 -0.377 1
1 440 . 3 1 1 A 37 37 ALA HA H 37 4.232 4.269 -0.037 1
1 444 . 3 1 1 A 37 37 ALA CA C 37 53.231 54.530 -1.299 1
1 445 . 3 1 1 A 37 37 ALA CB C 37 19.020 19.290 -0.270 1
1 446 . 3 1 1 A 37 37 ALA N N 37 123.086 124.559 -1.473 1
1 447 . 3 1 1 A 38 38 SER H H 38 7.919 7.937 -0.018 1
1 448 . 3 1 1 A 38 38 SER HA H 38 4.283 4.853 -0.570 1
1 451 . 3 1 1 A 38 38 SER CA C 38 58.884 57.301 1.583 1
1 452 . 3 1 1 A 38 38 SER CB C 38 63.835 63.306 0.529 1
1 453 . 3 1 1 A 38 38 SER N N 38 113.578 108.561 5.017 1
1 454 . 3 1 1 A 39 39 LYS H H 39 8.153 7.937 0.216 1
1 455 . 3 1 1 A 39 39 LYS HA H 39 4.140 4.570 -0.430 1
1 463 . 3 1 1 A 39 39 LYS CA C 39 57.127 57.050 0.077 1
1 464 . 3 1 1 A 39 39 LYS CB C 39 32.812 33.724 -0.912 1
1 468 . 3 1 1 A 39 39 LYS N N 39 122.651 120.313 2.338 1
1 469 . 3 1 1 A 40 40 ASP H H 40 8.100 8.066 0.034 1
1 470 . 3 1 1 A 40 40 ASP HA H 40 4.532 4.742 -0.210 1
1 473 . 3 1 1 A 40 40 ASP CA C 40 54.376 55.153 -0.777 1
1 474 . 3 1 1 A 40 40 ASP CB C 40 41.245 43.441 -2.196 1
1 475 . 3 1 1 A 40 40 ASP N N 40 119.441 119.091 0.350 1
1 476 . 3 1 1 A 41 41 PHE H H 41 7.924 8.053 -0.129 1
1 477 . 3 1 1 A 41 41 PHE HA H 41 4.384 4.477 -0.093 1
1 484 . 3 1 1 A 41 41 PHE CA C 41 58.704 59.828 -1.124 1
1 485 . 3 1 1 A 41 41 PHE CB C 41 39.397 39.549 -0.152 1
1 486 . 3 1 1 A 41 41 PHE N N 41 121.124 116.757 4.367 1
1 487 . 3 1 1 A 42 42 ASN H H 42 8.311 7.785 0.526 1
1 488 . 3 1 1 A 42 42 ASN HA H 42 4.523 5.128 -0.605 1
1 492 . 3 1 1 A 42 42 ASN CA C 42 53.133 52.662 0.471 1
1 493 . 3 1 1 A 42 42 ASN CB C 42 38.801 41.590 -2.789 1
1 494 . 3 1 1 A 42 42 ASN N N 42 120.181 113.609 6.572 1
1 496 . 3 1 1 A 43 43 ARG H H 43 8.133 8.782 -0.649 1
1 497 . 3 1 1 A 43 43 ARG HA H 43 4.115 4.482 -0.367 1
1 504 . 3 1 1 A 43 43 ARG CA C 43 57.051 57.057 -0.006 1
1 505 . 3 1 1 A 43 43 ARG CB C 43 30.514 33.377 -2.863 1
1 508 . 3 1 1 A 43 43 ARG N N 43 121.727 122.178 -0.451 1
1 509 . 3 1 1 A 44 44 SER H H 44 8.174 8.324 -0.150 1
1 510 . 3 1 1 A 44 44 SER HA H 44 4.286 4.178 0.108 1
1 513 . 3 1 1 A 44 44 SER CA C 44 59.344 61.476 -2.132 1
1 514 . 3 1 1 A 44 44 SER CB C 44 63.357 63.043 0.314 1
1 515 . 3 1 1 A 44 44 SER N N 44 115.718 115.804 -0.086 1
1 516 . 3 1 1 A 45 45 LYS H H 45 7.963 8.108 -0.145 1
1 517 . 3 1 1 A 45 45 LYS HA H 45 4.123 4.141 -0.018 1
1 526 . 3 1 1 A 45 45 LYS CA C 45 56.866 59.586 -2.720 1
1 527 . 3 1 1 A 45 45 LYS CB C 45 32.777 32.394 0.383 1
1 530 . 3 1 1 A 45 45 LYS N N 45 122.326 120.591 1.735 1
1 531 . 3 1 1 A 46 46 ALA H H 46 7.965 7.900 0.065 1
1 532 . 3 1 1 A 46 46 ALA HA H 46 4.165 4.704 -0.539 1
1 536 . 3 1 1 A 46 46 ALA CA C 46 52.999 50.895 2.104 1
1 537 . 3 1 1 A 46 46 ALA CB C 46 18.944 19.797 -0.853 1
1 538 . 3 1 1 A 46 46 ALA N N 46 123.536 121.567 1.969 1
1 539 . 3 1 1 A 47 47 LEU H H 47 7.898 9.095 -1.197 1
1 540 . 3 1 1 A 47 47 LEU HA H 47 4.158 5.361 -1.203 1
1 550 . 3 1 1 A 47 47 LEU CA C 47 55.583 53.227 2.356 1
1 551 . 3 1 1 A 47 47 LEU CB C 47 42.404 45.401 -2.997 1
1 555 . 3 1 1 A 47 47 LEU N N 47 119.914 123.812 -3.898 1
1 556 . 3 1 1 A 48 48 PHE H H 48 7.981 8.887 -0.906 1
1 557 . 3 1 1 A 48 48 PHE HA H 48 4.539 4.978 -0.439 1
1 564 . 3 1 1 A 48 48 PHE CA C 48 58.033 56.683 1.350 1
1 565 . 3 1 1 A 48 48 PHE CB C 48 39.470 39.563 -0.093 1
1 566 . 3 1 1 A 48 48 PHE N N 48 119.602 118.486 1.116 1
1 567 . 3 1 1 A 49 49 SER H H 49 8.028 7.565 0.463 1
1 568 . 3 1 1 A 49 49 SER HA H 49 4.332 3.947 0.385 1
1 571 . 3 1 1 A 49 49 SER CA C 49 58.581 60.316 -1.735 1
1 572 . 3 1 1 A 49 49 SER CB C 49 63.866 62.728 1.138 1
1 573 . 3 1 1 A 49 49 SER N N 49 116.270 117.297 -1.027 1
1 574 . 3 1 1 A 50 50 GLN H H 50 8.266 8.330 -0.064 1
1 575 . 3 1 1 A 50 50 GLN HA H 50 4.257 4.161 0.096 1
1 582 . 3 1 1 A 50 50 GLN CA C 50 56.435 57.863 -1.428 1
1 583 . 3 1 1 A 50 50 GLN CB C 50 29.204 27.967 1.237 1
1 585 . 3 1 1 A 50 50 GLN N N 50 121.931 125.542 -3.611 1
1 587 . 3 1 1 A 51 51 SER H H 51 8.147 8.573 -0.426 1
1 588 . 3 1 1 A 51 51 SER HA H 51 4.338 4.515 -0.177 1
1 591 . 3 1 1 A 51 51 SER CA C 51 58.645 57.783 0.862 1
1 592 . 3 1 1 A 51 51 SER CB C 51 63.784 61.268 2.516 1
1 593 . 3 1 1 A 51 51 SER N N 51 115.676 117.778 -2.102 1
1 594 . 3 1 1 A 52 52 ALA H H 52 8.175 8.685 -0.510 1
1 595 . 3 1 1 A 52 52 ALA HA H 52 4.265 4.457 -0.192 1
1 599 . 3 1 1 A 52 52 ALA CA C 52 53.031 53.379 -0.348 1
1 600 . 3 1 1 A 52 52 ALA CB C 52 18.941 20.505 -1.564 1
1 601 . 3 1 1 A 52 52 ALA N N 52 125.360 123.205 2.155 1
1 602 . 3 1 1 A 53 53 ILE H H 53 7.870 7.946 -0.076 1
1 603 . 3 1 1 A 53 53 ILE HA H 53 4.099 4.475 -0.376 1
1 613 . 3 1 1 A 53 53 ILE CA C 53 61.558 60.444 1.114 1
1 614 . 3 1 1 A 53 53 ILE CB C 53 38.851 38.973 -0.122 1
1 618 . 3 1 1 A 53 53 ILE N N 53 118.231 118.145 0.086 1
1 619 . 3 1 1 A 54 54 SER H H 54 8.159 8.969 -0.810 1
1 620 . 3 1 1 A 54 54 SER HA H 54 4.384 4.348 0.036 1
1 623 . 3 1 1 A 54 54 SER CA C 54 58.551 59.384 -0.833 1
1 624 . 3 1 1 A 54 54 SER CB C 54 63.964 63.072 0.892 1
1 625 . 3 1 1 A 54 54 SER N N 54 118.588 121.926 -3.338 1
1 626 . 3 1 1 A 55 55 GLN H H 55 8.301 8.619 -0.318 1
1 627 . 3 1 1 A 55 55 GLN HA H 55 4.214 3.206 1.008 1
1 634 . 3 1 1 A 55 55 GLN CA C 55 56.547 57.747 -1.200 1
1 635 . 3 1 1 A 55 55 GLN CB C 55 29.292 27.920 1.372 1
1 637 . 3 1 1 A 55 55 GLN N N 55 122.173 125.759 -3.586 1
1 639 . 3 1 1 A 56 56 LYS H H 56 8.163 8.074 0.089 1
1 640 . 3 1 1 A 56 56 LYS HA H 56 4.177 4.226 -0.049 1
1 647 . 3 1 1 A 56 56 LYS CA C 56 56.978 58.229 -1.251 1
1 648 . 3 1 1 A 56 56 LYS CB C 56 32.855 32.290 0.565 1
1 651 . 3 1 1 A 56 56 LYS N N 56 121.126 117.146 3.980 1
1 652 . 3 1 1 A 57 57 GLU H H 57 8.211 8.431 -0.220 1
1 653 . 3 1 1 A 57 57 GLU HA H 57 4.151 4.579 -0.428 1
1 658 . 3 1 1 A 57 57 GLU CA C 57 57.058 56.237 0.821 1
1 659 . 3 1 1 A 57 57 GLU CB C 57 30.211 31.224 -1.013 1
1 661 . 3 1 1 A 57 57 GLU N N 57 120.615 117.858 2.757 1
1 662 . 3 1 1 A 58 58 TYR H H 58 8.070 7.705 0.365 1
1 663 . 3 1 1 A 58 58 TYR HA H 58 4.375 4.698 -0.323 1
1 670 . 3 1 1 A 58 58 TYR CA C 58 58.570 56.704 1.866 1
1 671 . 3 1 1 A 58 58 TYR CB C 58 38.962 40.799 -1.837 1
1 672 . 3 1 1 A 58 58 TYR N N 58 120.822 118.591 2.231 1
1 673 . 3 1 1 A 59 59 ASP H H 59 8.146 8.459 -0.313 1
1 674 . 3 1 1 A 59 59 ASP HA H 59 4.492 4.862 -0.370 1
1 677 . 3 1 1 A 59 59 ASP CA C 59 54.396 52.563 1.833 1
1 678 . 3 1 1 A 59 59 ASP CB C 59 41.086 43.652 -2.566 1
1 679 . 3 1 1 A 59 59 ASP N N 59 122.551 120.376 2.175 1
1 680 . 3 1 1 A 60 60 SER H H 60 8.253 8.721 -0.468 1
1 681 . 3 1 1 A 60 60 SER HA H 60 4.260 4.218 0.042 1
1 684 . 3 1 1 A 60 60 SER CA C 60 59.533 60.003 -0.470 1
1 685 . 3 1 1 A 60 60 SER CB C 60 63.422 63.628 -0.206 1
1 686 . 3 1 1 A 60 60 SER N N 60 117.657 117.722 -0.065 1
1 687 . 3 1 1 A 61 61 SER H H 61 8.344 8.007 0.337 1
1 688 . 3 1 1 A 61 61 SER HA H 61 4.307 4.259 0.048 1
1 691 . 3 1 1 A 61 61 SER CA C 61 59.755 62.096 -2.341 1
1 692 . 3 1 1 A 61 61 SER CB C 61 63.582 62.903 0.679 1
1 693 . 3 1 1 A 61 61 SER N N 61 118.129 119.269 -1.140 1
1 694 . 3 1 1 A 62 62 LEU H H 62 7.759 7.750 0.009 1
1 695 . 3 1 1 A 62 62 LEU HA H 62 4.234 4.436 -0.202 1
1 705 . 3 1 1 A 62 62 LEU CA C 62 55.464 55.908 -0.444 1
1 706 . 3 1 1 A 62 62 LEU CB C 62 42.238 42.280 -0.042 1
1 710 . 3 1 1 A 62 62 LEU N N 62 122.627 115.521 7.106 1
1 711 . 3 1 1 A 63 63 ALA H H 63 7.919 7.538 0.381 1
1 712 . 3 1 1 A 63 63 ALA HA H 63 4.276 4.591 -0.315 1
1 716 . 3 1 1 A 63 63 ALA CA C 63 52.922 51.344 1.578 1
1 717 . 3 1 1 A 63 63 ALA CB C 63 19.221 20.903 -1.682 1
1 718 . 3 1 1 A 63 63 ALA N N 63 123.444 123.490 -0.046 1
1 719 . 3 1 1 A 64 64 THR H H 64 7.890 8.817 -0.927 1
1 720 . 3 1 1 A 64 64 THR HA H 64 4.217 4.816 -0.599 1
1 725 . 3 1 1 A 64 64 THR CA C 64 61.787 61.741 0.046 1
1 726 . 3 1 1 A 64 64 THR CB C 64 69.719 70.602 -0.883 1
1 728 . 3 1 1 A 64 64 THR N N 64 112.279 115.956 -3.677 1
1 729 . 3 1 1 A 65 65 LEU H H 65 8.009 8.540 -0.531 1
1 730 . 3 1 1 A 65 65 LEU HA H 65 4.295 4.564 -0.269 1
1 740 . 3 1 1 A 65 65 LEU CA C 65 55.345 53.428 1.917 1
1 741 . 3 1 1 A 65 65 LEU CB C 65 42.412 42.254 0.158 1
1 745 . 3 1 1 A 65 65 LEU N N 65 123.586 127.564 -3.978 1
1 746 . 3 1 1 A 66 66 ASP H H 66 8.288 7.931 0.357 1
1 747 . 3 1 1 A 66 66 ASP HA H 66 4.564 4.265 0.299 1
1 750 . 3 1 1 A 66 66 ASP CA C 66 54.676 54.661 0.015 1
1 751 . 3 1 1 A 66 66 ASP CB C 66 41.376 39.500 1.876 1
1 752 . 3 1 1 A 66 66 ASP N N 66 120.344 115.332 5.012 1
1 753 . 3 1 1 A 67 67 HIS H H 67 8.058 8.248 -0.190 1
1 754 . 3 1 1 A 67 67 HIS HA H 67 5.247 4.890 0.357 1
1 758 . 3 1 1 A 67 67 HIS CA C 67 55.260 55.577 -0.317 1
1 759 . 3 1 1 A 67 67 HIS CB C 67 31.974 30.935 1.039 1
1 760 . 3 1 1 A 67 67 HIS N N 67 119.406 119.723 -0.317 1
1 761 . 3 1 1 A 68 68 THR H H 68 8.919 9.046 -0.127 1
1 762 . 3 1 1 A 68 68 THR HA H 68 4.484 4.747 -0.263 1
1 767 . 3 1 1 A 68 68 THR CA C 68 62.542 61.959 0.583 1
1 768 . 3 1 1 A 68 68 THR CB C 68 71.067 69.281 1.786 1
1 770 . 3 1 1 A 68 68 THR N N 68 117.233 118.421 -1.188 1
1 771 . 3 1 1 A 69 69 GLU H H 69 8.649 8.547 0.102 1
1 772 . 3 1 1 A 69 69 GLU HA H 69 4.703 4.492 0.211 1
1 777 . 3 1 1 A 69 69 GLU CA C 69 55.886 56.265 -0.379 1
1 778 . 3 1 1 A 69 69 GLU CB C 69 31.746 29.984 1.762 1
1 780 . 3 1 1 A 69 69 GLU N N 69 124.187 126.796 -2.609 1
1 781 . 3 1 1 A 70 70 ILE H H 70 8.601 9.138 -0.537 1
1 782 . 3 1 1 A 70 70 ILE HA H 70 4.405 4.501 -0.096 1
1 792 . 3 1 1 A 70 70 ILE CA C 70 59.234 61.036 -1.802 1
1 793 . 3 1 1 A 70 70 ILE CB C 70 37.318 37.139 0.179 1
1 797 . 3 1 1 A 70 70 ILE N N 70 123.482 125.853 -2.371 1
1 798 . 3 1 1 A 71 71 LYS H H 71 8.926 8.434 0.492 1
1 799 . 3 1 1 A 71 71 LYS HA H 71 5.078 4.915 0.163 1
1 806 . 3 1 1 A 71 71 LYS CA C 71 54.584 55.795 -1.211 1
1 807 . 3 1 1 A 71 71 LYS CB C 71 36.281 33.802 2.479 1
1 810 . 3 1 1 A 71 71 LYS N N 71 128.267 126.156 2.111 1
1 811 . 3 1 1 A 72 72 ALA H H 72 8.633 8.958 -0.325 1
1 812 . 3 1 1 A 72 72 ALA HA H 72 4.067 4.310 -0.243 1
1 816 . 3 1 1 A 72 72 ALA CA C 72 49.967 50.847 -0.880 1
1 817 . 3 1 1 A 72 72 ALA CB C 72 17.255 17.805 -0.550 1
1 818 . 3 1 1 A 72 72 ALA N N 72 123.088 124.751 -1.663 1
1 819 . 3 1 1 A 73 73 PRO HA H 73 4.333 4.202 0.131 1
1 826 . 3 1 1 A 73 73 PRO CA C 73 63.716 64.024 -0.308 1
1 827 . 3 1 1 A 73 73 PRO CB C 73 31.915 31.466 0.449 1
1 830 . 3 1 1 A 74 74 PHE H H 74 6.768 7.175 -0.407 1
1 831 . 3 1 1 A 74 74 PHE HA H 74 4.421 4.755 -0.334 1
1 838 . 3 1 1 A 74 74 PHE CA C 74 54.396 56.543 -2.147 1
1 839 . 3 1 1 A 74 74 PHE CB C 74 40.697 39.930 0.767 1
1 840 . 3 1 1 A 74 74 PHE N N 74 112.022 112.599 -0.577 1
1 841 . 3 1 1 A 75 75 ASP H H 75 8.583 8.832 -0.249 1
1 842 . 3 1 1 A 75 75 ASP HA H 75 4.922 4.704 0.218 1
1 845 . 3 1 1 A 75 75 ASP CA C 75 53.873 56.191 -2.318 1
1 846 . 3 1 1 A 75 75 ASP CB C 75 40.839 40.796 0.043 1
1 847 . 3 1 1 A 75 75 ASP N N 75 118.252 120.736 -2.484 1
1 848 . 3 1 1 A 76 76 GLY H H 76 8.348 8.158 0.190 1
1 849 . 3 1 1 A 76 76 GLY HA2 H 76 4.236 4.308 -0.072 1
1 850 . 3 1 1 A 76 76 GLY HA3 H 76 4.075 4.356 -0.281 1
1 851 . 3 1 1 A 76 76 GLY CA C 76 46.639 46.266 0.373 1
1 852 . 3 1 1 A 76 76 GLY N N 76 108.729 109.652 -0.923 1
1 853 . 3 1 1 A 77 77 THR H H 77 8.623 8.844 -0.221 1
1 854 . 3 1 1 A 77 77 THR HA H 77 4.975 5.171 -0.196 1
1 859 . 3 1 1 A 77 77 THR CA C 77 61.752 61.397 0.355 1
1 860 . 3 1 1 A 77 77 THR CB C 77 70.121 71.700 -1.579 1
1 862 . 3 1 1 A 77 77 THR N N 77 116.400 116.088 0.312 1
1 863 . 3 1 1 A 78 78 ILE H H 78 8.824 9.428 -0.604 1
1 864 . 3 1 1 A 78 78 ILE HA H 78 4.673 5.030 -0.357 1
1 874 . 3 1 1 A 78 78 ILE CA C 78 60.164 59.357 0.807 1
1 875 . 3 1 1 A 78 78 ILE CB C 78 42.973 41.222 1.751 1
1 879 . 3 1 1 A 78 78 ILE N N 78 129.310 127.595 1.715 1
1 880 . 3 1 1 A 79 79 GLY H H 79 8.060 8.401 -0.341 1
1 881 . 3 1 1 A 79 79 GLY HA2 H 79 4.404 4.168 0.236 1
1 882 . 3 1 1 A 79 79 GLY HA3 H 79 3.775 4.181 -0.406 1
1 883 . 3 1 1 A 79 79 GLY CA C 79 44.149 44.583 -0.434 1
1 884 . 3 1 1 A 79 79 GLY N N 79 114.539 115.782 -1.243 1
1 885 . 3 1 1 A 80 80 ASP H H 80 7.804 8.521 -0.717 1
1 886 . 3 1 1 A 80 80 ASP HA H 80 4.703 5.087 -0.384 1
1 889 . 3 1 1 A 80 80 ASP CA C 80 53.703 52.468 1.235 1
1 890 . 3 1 1 A 80 80 ASP CB C 80 41.918 41.533 0.385 1
1 891 . 3 1 1 A 80 80 ASP N N 80 113.688 119.429 -5.741 1
1 892 . 3 1 1 A 81 81 ALA H H 81 8.566 8.761 -0.195 1
1 893 . 3 1 1 A 81 81 ALA HA H 81 4.571 4.941 -0.370 1
1 897 . 3 1 1 A 81 81 ALA CA C 81 53.312 51.370 1.942 1
1 898 . 3 1 1 A 81 81 ALA CB C 81 20.381 20.719 -0.338 1
1 899 . 3 1 1 A 81 81 ALA N N 81 124.136 122.847 1.289 1
1 900 . 3 1 1 A 82 82 LEU H H 82 8.747 8.725 0.022 1
1 901 . 3 1 1 A 82 82 LEU HA H 82 4.345 4.509 -0.164 1
1 910 . 3 1 1 A 82 82 LEU CA C 82 55.210 55.761 -0.551 1
1 911 . 3 1 1 A 82 82 LEU CB C 82 41.457 43.535 -2.078 1
1 914 . 3 1 1 A 82 82 LEU N N 82 121.773 120.380 1.393 1
1 915 . 3 1 1 A 83 83 VAL H H 83 7.141 7.360 -0.219 1
1 916 . 3 1 1 A 83 83 VAL HA H 83 4.496 4.712 -0.216 1
1 924 . 3 1 1 A 83 83 VAL CA C 83 58.502 59.688 -1.186 1
1 925 . 3 1 1 A 83 83 VAL CB C 83 35.229 34.500 0.729 1
1 928 . 3 1 1 A 83 83 VAL N N 83 108.169 113.786 -5.617 1
1 929 . 3 1 1 A 84 84 ASN H H 84 9.076 8.775 0.301 1
1 930 . 3 1 1 A 84 84 ASN HA H 84 4.887 5.404 -0.517 1
1 935 . 3 1 1 A 84 84 ASN CA C 84 51.248 51.962 -0.714 1
1 936 . 3 1 1 A 84 84 ASN CB C 84 41.989 42.523 -0.534 1
1 937 . 3 1 1 A 84 84 ASN N N 84 119.502 118.471 1.031 1
1 939 . 3 1 1 A 85 85 ILE H H 85 8.404 8.503 -0.099 1
1 940 . 3 1 1 A 85 85 ILE HA H 85 3.393 3.854 -0.461 1
1 950 . 3 1 1 A 85 85 ILE CA C 85 63.873 63.525 0.348 1
1 951 . 3 1 1 A 85 85 ILE CB C 85 37.146 38.242 -1.096 1
1 955 . 3 1 1 A 85 85 ILE N N 85 119.409 122.209 -2.800 1
1 956 . 3 1 1 A 86 86 GLY H H 86 9.239 8.708 0.531 1
1 957 . 3 1 1 A 86 86 GLY HA2 H 86 4.401 3.913 0.488 1
1 958 . 3 1 1 A 86 86 GLY HA3 H 86 3.411 3.917 -0.506 1
1 959 . 3 1 1 A 86 86 GLY CA C 86 44.869 45.957 -1.088 1
1 960 . 3 1 1 A 86 86 GLY N N 86 117.321 115.232 2.089 1
1 961 . 3 1 1 A 87 87 ASP H H 87 7.968 8.091 -0.123 1
1 962 . 3 1 1 A 87 87 ASP HA H 87 4.607 4.997 -0.390 1
1 965 . 3 1 1 A 87 87 ASP CA C 87 54.886 53.076 1.810 1
1 966 . 3 1 1 A 87 87 ASP CB C 87 40.771 42.698 -1.927 1
1 967 . 3 1 1 A 87 87 ASP N N 87 121.490 120.917 0.573 1
1 968 . 3 1 1 A 88 88 TYR H H 88 8.566 8.934 -0.368 1
1 969 . 3 1 1 A 88 88 TYR HA H 88 4.712 4.718 -0.006 1
1 976 . 3 1 1 A 88 88 TYR CA C 88 57.826 59.651 -1.825 1
1 977 . 3 1 1 A 88 88 TYR CB C 88 39.243 39.225 0.018 1
1 978 . 3 1 1 A 88 88 TYR N N 88 122.340 126.600 -4.260 1
1 979 . 3 1 1 A 89 89 VAL H H 89 8.951 8.246 0.705 1
1 980 . 3 1 1 A 89 89 VAL HA H 89 4.578 4.718 -0.140 1
1 988 . 3 1 1 A 89 89 VAL CA C 89 58.339 59.285 -0.946 1
1 989 . 3 1 1 A 89 89 VAL CB C 89 34.321 35.920 -1.599 1
1 992 . 3 1 1 A 89 89 VAL N N 89 121.914 120.884 1.030 1
1 993 . 3 1 1 A 90 90 SER H H 90 8.777 8.986 -0.209 1
1 994 . 3 1 1 A 90 90 SER HA H 90 4.750 4.423 0.327 1
1 997 . 3 1 1 A 90 90 SER CA C 90 56.895 56.923 -0.028 1
1 998 . 3 1 1 A 90 90 SER CB C 90 64.866 65.194 -0.328 1
1 999 . 3 1 1 A 90 90 SER N N 90 114.813 118.021 -3.208 1
1 1000 . 3 1 1 A 91 91 ALA H H 91 8.712 8.633 0.079 1
1 1001 . 3 1 1 A 91 91 ALA HA H 91 3.515 4.359 -0.844 1
1 1005 . 3 1 1 A 91 91 ALA CA C 91 53.317 51.336 1.981 1
1 1006 . 3 1 1 A 91 91 ALA CB C 91 18.678 19.893 -1.215 1
1 1007 . 3 1 1 A 91 91 ALA N N 91 129.870 124.023 5.847 1
1 1008 . 3 1 1 A 92 92 SER H H 92 9.170 8.637 0.533 1
1 1009 . 3 1 1 A 92 92 SER HA H 92 3.817 4.357 -0.540 1
1 1012 . 3 1 1 A 92 92 SER CA C 92 60.652 60.868 -0.216 1
1 1013 . 3 1 1 A 92 92 SER CB C 92 62.505 62.925 -0.420 1
1 1014 . 3 1 1 A 92 92 SER N N 92 113.294 112.332 0.962 1
1 1015 . 3 1 1 A 93 93 THR H H 93 7.816 7.791 0.025 1
1 1016 . 3 1 1 A 93 93 THR HA H 93 4.402 4.097 0.305 1
1 1021 . 3 1 1 A 93 93 THR CA C 93 64.378 66.068 -1.690 1
1 1022 . 3 1 1 A 93 93 THR CB C 93 70.948 68.737 2.211 1
1 1024 . 3 1 1 A 93 93 THR N N 93 113.858 115.670 -1.812 1
1 1025 . 3 1 1 A 94 94 THR H H 94 7.702 8.043 -0.341 1
1 1026 . 3 1 1 A 94 94 THR HA H 94 3.910 4.327 -0.417 1
1 1031 . 3 1 1 A 94 94 THR CA C 94 65.140 61.809 3.331 1
1 1032 . 3 1 1 A 94 94 THR CB C 94 70.001 67.458 2.543 1
1 1034 . 3 1 1 A 94 94 THR N N 94 119.588 114.860 4.728 1
1 1035 . 3 1 1 A 95 95 GLU H H 95 8.407 8.487 -0.080 1
1 1036 . 3 1 1 A 95 95 GLU HA H 95 3.801 4.511 -0.710 1
1 1041 . 3 1 1 A 95 95 GLU CA C 95 56.613 55.995 0.618 1
1 1042 . 3 1 1 A 95 95 GLU CB C 95 29.600 29.986 -0.386 1
1 1044 . 3 1 1 A 95 95 GLU N N 95 124.764 126.907 -2.143 1
1 1045 . 3 1 1 A 96 96 LEU H H 96 8.750 8.614 0.136 1
1 1046 . 3 1 1 A 96 96 LEU HA H 96 4.260 4.435 -0.175 1
1 1056 . 3 1 1 A 96 96 LEU CA C 96 56.927 54.702 2.225 1
1 1057 . 3 1 1 A 96 96 LEU CB C 96 43.310 42.607 0.703 1
1 1061 . 3 1 1 A 96 96 LEU N N 96 120.035 120.747 -0.712 1
1 1062 . 3 1 1 A 97 97 VAL H H 97 7.053 7.353 -0.300 1
1 1063 . 3 1 1 A 97 97 VAL HA H 97 4.345 4.385 -0.040 1
1 1071 . 3 1 1 A 97 97 VAL CA C 97 61.291 60.078 1.213 1
1 1072 . 3 1 1 A 97 97 VAL CB C 97 31.577 34.582 -3.005 1
1 1075 . 3 1 1 A 97 97 VAL N N 97 112.365 117.331 -4.966 1
1 1076 . 3 1 1 A 98 98 ARG H H 98 8.980 8.683 0.297 1
1 1077 . 3 1 1 A 98 98 ARG HA H 98 5.267 4.992 0.275 1
1 1084 . 3 1 1 A 98 98 ARG CA C 98 55.195 54.072 1.123 1
1 1085 . 3 1 1 A 98 98 ARG CB C 98 32.818 34.182 -1.364 1
1 1088 . 3 1 1 A 98 98 ARG N N 98 127.477 124.461 3.016 1
1 1089 . 3 1 1 A 99 99 VAL H H 99 8.887 9.118 -0.231 1
1 1090 . 3 1 1 A 99 99 VAL HA H 99 4.556 5.377 -0.821 1
1 1095 . 3 1 1 A 99 99 VAL CA C 99 60.968 59.684 1.284 1
1 1096 . 3 1 1 A 99 99 VAL CB C 99 34.186 34.931 -0.745 1
1 1098 . 3 1 1 A 99 99 VAL N N 99 122.826 120.796 2.030 1
1 1099 . 3 1 1 A 100 100 THR H H 100 8.833 8.976 -0.143 1
1 1100 . 3 1 1 A 100 100 THR HA H 100 4.559 4.872 -0.313 1
1 1105 . 3 1 1 A 100 100 THR CA C 100 61.080 60.068 1.012 1
1 1106 . 3 1 1 A 100 100 THR CB C 100 70.669 71.851 -1.182 1
1 1108 . 3 1 1 A 100 100 THR N N 100 121.816 119.114 2.702 1
1 1109 . 3 1 1 A 101 101 ASN H H 101 8.153 9.037 -0.884 1
1 1110 . 3 1 1 A 101 101 ASN HA H 101 4.518 4.350 0.168 1
1 1115 . 3 1 1 A 101 101 ASN CA C 101 54.238 53.802 0.436 1
1 1116 . 3 1 1 A 101 101 ASN CB C 101 38.470 37.233 1.237 1
1 1117 . 3 1 1 A 101 101 ASN N N 101 122.733 118.935 3.798 1
1 1119 . 3 1 1 A 102 102 LEU H H 102 8.160 7.839 0.321 1
1 1120 . 3 1 1 A 102 102 LEU HA H 102 4.245 4.904 -0.659 1
1 1130 . 3 1 1 A 102 102 LEU CA C 102 55.449 53.039 2.410 1
1 1131 . 3 1 1 A 102 102 LEU CB C 102 42.549 46.175 -3.626 1
1 1135 . 3 1 1 A 102 102 LEU N N 102 122.544 120.192 2.352 1
1 1136 . 3 1 1 A 103 103 ASN H H 103 8.405 8.317 0.088 1
1 1137 . 3 1 1 A 103 103 ASN HA H 103 4.867 4.976 -0.109 1
1 1142 . 3 1 1 A 103 103 ASN CA C 103 51.316 51.596 -0.280 1
1 1143 . 3 1 1 A 103 103 ASN CB C 103 39.049 37.493 1.556 1
1 1144 . 3 1 1 A 103 103 ASN N N 103 120.174 117.877 2.297 1
1 1146 . 3 1 1 A 104 104 PRO HA H 104 4.230 4.758 -0.528 1
1 1153 . 3 1 1 A 104 104 PRO CA C 104 63.559 62.539 1.020 1
1 1154 . 3 1 1 A 104 104 PRO CB C 104 32.102 30.629 1.473 1
1 1157 . 3 1 1 A 105 105 ILE H H 105 7.886 8.209 -0.323 1
1 1158 . 3 1 1 A 105 105 ILE HA H 105 3.941 4.475 -0.534 1
1 1168 . 3 1 1 A 105 105 ILE CA C 105 61.348 60.597 0.751 1
1 1169 . 3 1 1 A 105 105 ILE CB C 105 38.569 39.165 -0.596 1
1 1173 . 3 1 1 A 105 105 ILE N N 105 119.390 123.964 -4.574 1
1 1174 . 3 1 1 A 106 106 TYR H H 106 7.961 8.276 -0.315 1
1 1175 . 3 1 1 A 106 106 TYR HA H 106 4.536 5.009 -0.473 1
1 1182 . 3 1 1 A 106 106 TYR CA C 106 57.370 56.990 0.380 1
1 1183 . 3 1 1 A 106 106 TYR CB C 106 38.889 39.618 -0.729 1
1 1184 . 3 1 1 A 106 106 TYR N N 106 123.172 121.595 1.577 1
1 1185 . 3 1 1 A 107 107 ALA H H 107 8.128 7.667 0.461 1
1 1186 . 3 1 1 A 107 107 ALA HA H 107 4.217 4.458 -0.241 1
1 1190 . 3 1 1 A 107 107 ALA CA C 107 52.724 53.170 -0.446 1
1 1191 . 3 1 1 A 107 107 ALA CB C 107 19.133 19.908 -0.775 1
1 1192 . 3 1 1 A 107 107 ALA N N 107 125.520 121.665 3.855 1
1 1193 . 3 1 1 A 108 108 ASP H H 108 8.147 8.027 0.120 1
1 1194 . 3 1 1 A 108 108 ASP HA H 108 4.511 4.654 -0.143 1
1 1197 . 3 1 1 A 108 108 ASP CA C 108 54.342 54.364 -0.022 1
1 1198 . 3 1 1 A 108 108 ASP CB C 108 41.240 40.279 0.961 1
1 1199 . 3 1 1 A 108 108 ASP N N 108 119.219 118.088 1.131 1
1 1200 . 3 1 1 A 109 109 GLY H H 109 8.313 8.669 -0.356 1
1 1201 . 3 1 1 A 109 109 GLY HA2 H 109 3.946 4.136 -0.190 1
1 1202 . 3 1 1 A 109 109 GLY HA3 H 109 3.848 4.184 -0.336 1
1 1203 . 3 1 1 A 109 109 GLY CA C 109 45.692 44.542 1.150 1
1 1204 . 3 1 1 A 109 109 GLY N N 109 109.478 109.645 -0.167 1
1 1205 . 3 1 1 A 110 110 SER H H 110 8.175 8.874 -0.699 1
1 1206 . 3 1 1 A 110 110 SER HA H 110 4.286 4.586 -0.300 1
1 1209 . 3 1 1 A 110 110 SER CA C 110 59.296 60.205 -0.909 1
1 1210 . 3 1 1 A 110 110 SER CB C 110 63.825 64.137 -0.312 1
1 1211 . 3 1 1 A 110 110 SER N N 110 115.660 115.430 0.230 1
1 1212 . 3 1 1 A 111 111 HIS HA H 111 4.527 4.557 -0.030 1
1 1215 . 3 1 1 A 111 111 HIS CA C 111 56.109 57.044 -0.935 1
1 1216 . 3 1 1 A 111 111 HIS CB C 111 30.580 31.341 -0.761 1
1 1217 . 3 1 1 A 112 112 HIS HA H 112 4.535 4.427 0.108 1
1 1220 . 3 1 1 A 112 112 HIS CA C 112 57.411 56.499 0.912 1
1 1221 . 3 1 1 A 112 112 HIS CB C 112 30.756 29.710 1.046 1
1 2 . 4 1 1 A 2 2 VAL H H 2 8.613 7.389 1.224 1
1 3 . 4 1 1 A 2 2 VAL HA H 2 4.487 4.816 -0.329 1
1 11 . 4 1 1 A 2 2 VAL CA C 2 61.103 60.569 0.534 1
1 12 . 4 1 1 A 2 2 VAL CB C 2 35.731 35.875 -0.144 1
1 15 . 4 1 1 A 2 2 VAL N N 2 117.956 119.611 -1.655 1
1 16 . 4 1 1 A 3 3 ILE H H 3 8.439 8.819 -0.380 1
1 17 . 4 1 1 A 3 3 ILE HA H 3 4.498 4.690 -0.192 1
1 27 . 4 1 1 A 3 3 ILE CA C 3 60.172 59.874 0.298 1
1 28 . 4 1 1 A 3 3 ILE CB C 3 38.528 40.305 -1.777 1
1 32 . 4 1 1 A 3 3 ILE N N 3 125.643 126.603 -0.960 1
1 33 . 4 1 1 A 4 4 ILE H H 4 8.543 8.991 -0.448 1
1 34 . 4 1 1 A 4 4 ILE HA H 4 4.005 4.563 -0.558 1
1 44 . 4 1 1 A 4 4 ILE CA C 4 61.550 60.175 1.375 1
1 45 . 4 1 1 A 4 4 ILE CB C 4 38.038 38.481 -0.443 1
1 49 . 4 1 1 A 4 4 ILE N N 4 127.460 127.259 0.201 1
1 50 . 4 1 1 A 5 5 LYS H H 5 8.292 8.563 -0.271 1
1 51 . 4 1 1 A 5 5 LYS HA H 5 5.173 4.597 0.576 1
1 60 . 4 1 1 A 5 5 LYS CA C 5 53.276 52.841 0.435 1
1 61 . 4 1 1 A 5 5 LYS CB C 5 33.713 34.420 -0.707 1
1 65 . 4 1 1 A 5 5 LYS N N 5 126.677 126.235 0.442 1
1 66 . 4 1 1 A 6 6 PRO HA H 6 4.383 4.622 -0.239 1
1 73 . 4 1 1 A 6 6 PRO CA C 6 62.444 62.272 0.172 1
1 74 . 4 1 1 A 6 6 PRO CB C 6 32.018 33.347 -1.329 1
1 77 . 4 1 1 A 7 7 GLN H H 7 9.359 8.265 1.094 1
1 78 . 4 1 1 A 7 7 GLN HA H 7 4.406 4.454 -0.048 1
1 85 . 4 1 1 A 7 7 GLN CA C 7 56.357 55.255 1.102 1
1 86 . 4 1 1 A 7 7 GLN CB C 7 28.784 29.456 -0.672 1
1 88 . 4 1 1 A 7 7 GLN N N 7 119.975 115.979 3.996 1
1 90 . 4 1 1 A 8 8 VAL H H 8 7.032 7.463 -0.431 1
1 91 . 4 1 1 A 8 8 VAL HA H 8 4.486 4.712 -0.226 1
1 99 . 4 1 1 A 8 8 VAL CA C 8 58.874 58.825 0.049 1
1 100 . 4 1 1 A 8 8 VAL CB C 8 35.169 35.922 -0.753 1
1 103 . 4 1 1 A 8 8 VAL N N 8 111.122 115.901 -4.779 1
1 104 . 4 1 1 A 9 9 SER H H 9 8.210 8.827 -0.617 1
1 105 . 4 1 1 A 9 9 SER HA H 9 4.957 5.415 -0.458 1
1 108 . 4 1 1 A 9 9 SER CA C 9 56.585 56.133 0.452 1
1 109 . 4 1 1 A 9 9 SER CB C 9 64.442 65.160 -0.718 1
1 110 . 4 1 1 A 9 9 SER N N 9 115.043 115.504 -0.461 1
1 111 . 4 1 1 A 10 10 GLY H H 10 8.003 7.870 0.133 1
1 112 . 4 1 1 A 10 10 GLY HA2 H 10 4.412 4.131 0.281 1
1 113 . 4 1 1 A 10 10 GLY HA3 H 10 3.645 4.194 -0.549 1
1 114 . 4 1 1 A 10 10 GLY CA C 10 45.292 46.057 -0.765 1
1 115 . 4 1 1 A 10 10 GLY N N 10 108.708 108.747 -0.039 1
1 116 . 4 1 1 A 11 11 VAL H H 11 8.006 8.001 0.005 1
1 117 . 4 1 1 A 11 11 VAL HA H 11 4.743 4.673 0.070 1
1 125 . 4 1 1 A 11 11 VAL CA C 11 60.539 60.689 -0.150 1
1 126 . 4 1 1 A 11 11 VAL CB C 11 34.951 35.419 -0.468 1
1 129 . 4 1 1 A 11 11 VAL N N 11 118.308 120.549 -2.241 1
1 130 . 4 1 1 A 12 12 ILE H H 12 8.459 8.500 -0.041 1
1 131 . 4 1 1 A 12 12 ILE HA H 12 4.050 4.295 -0.245 1
1 141 . 4 1 1 A 12 12 ILE CA C 12 60.287 62.554 -2.267 1
1 142 . 4 1 1 A 12 12 ILE CB C 12 35.650 37.947 -2.297 1
1 146 . 4 1 1 A 12 12 ILE N N 12 125.265 126.470 -1.205 1
1 147 . 4 1 1 A 13 13 VAL H H 13 8.908 9.458 -0.550 1
1 148 . 4 1 1 A 13 13 VAL HA H 13 4.500 4.149 0.351 1
1 156 . 4 1 1 A 13 13 VAL CA C 13 62.126 63.586 -1.460 1
1 157 . 4 1 1 A 13 13 VAL CB C 13 33.291 32.901 0.390 1
1 160 . 4 1 1 A 13 13 VAL N N 13 124.479 126.599 -2.120 1
1 161 . 4 1 1 A 14 14 ASN H H 14 7.653 7.570 0.083 1
1 162 . 4 1 1 A 14 14 ASN HA H 14 4.819 5.033 -0.214 1
1 167 . 4 1 1 A 14 14 ASN CA C 14 52.806 52.574 0.232 1
1 168 . 4 1 1 A 14 14 ASN CB C 14 41.978 41.663 0.315 1
1 169 . 4 1 1 A 14 14 ASN N N 14 114.961 114.470 0.491 1
1 171 . 4 1 1 A 15 15 LYS H H 15 8.404 8.512 -0.108 1
1 172 . 4 1 1 A 15 15 LYS HA H 15 4.641 4.866 -0.225 1
1 179 . 4 1 1 A 15 15 LYS CA C 15 55.935 55.161 0.774 1
1 180 . 4 1 1 A 15 15 LYS CB C 15 35.274 34.173 1.101 1
1 183 . 4 1 1 A 15 15 LYS N N 15 123.768 120.798 2.970 1
1 184 . 4 1 1 A 16 16 LEU H H 16 8.020 8.480 -0.460 1
1 185 . 4 1 1 A 16 16 LEU HA H 16 4.611 4.475 0.136 1
1 195 . 4 1 1 A 16 16 LEU CA C 16 55.124 54.195 0.929 1
1 196 . 4 1 1 A 16 16 LEU CB C 16 41.308 39.977 1.331 1
1 200 . 4 1 1 A 16 16 LEU N N 16 126.162 127.259 -1.097 1
1 201 . 4 1 1 A 17 17 PHE H H 17 6.573 7.469 -0.896 1
1 202 . 4 1 1 A 17 17 PHE HA H 17 4.862 5.187 -0.325 1
1 207 . 4 1 1 A 17 17 PHE CA C 17 55.528 55.551 -0.023 1
1 208 . 4 1 1 A 17 17 PHE CB C 17 41.093 42.260 -1.167 1
1 209 . 4 1 1 A 17 17 PHE N N 17 113.628 115.370 -1.742 1
1 210 . 4 1 1 A 18 18 LYS H H 18 8.655 8.421 0.234 1
1 211 . 4 1 1 A 18 18 LYS HA H 18 4.333 4.421 -0.088 1
1 220 . 4 1 1 A 18 18 LYS CA C 18 54.277 53.988 0.289 1
1 221 . 4 1 1 A 18 18 LYS CB C 18 35.134 35.862 -0.728 1
1 225 . 4 1 1 A 18 18 LYS N N 18 120.572 118.536 2.036 1
1 226 . 4 1 1 A 19 19 ALA H H 19 8.407 8.291 0.116 1
1 227 . 4 1 1 A 19 19 ALA HA H 19 3.962 4.751 -0.789 1
1 231 . 4 1 1 A 19 19 ALA CA C 19 53.980 52.541 1.439 1
1 232 . 4 1 1 A 19 19 ALA CB C 19 18.497 19.222 -0.725 1
1 233 . 4 1 1 A 19 19 ALA N N 19 123.842 125.032 -1.190 1
1 234 . 4 1 1 A 20 20 GLY H H 20 8.814 8.557 0.257 1
1 235 . 4 1 1 A 20 20 GLY HA2 H 20 4.313 3.952 0.361 1
1 236 . 4 1 1 A 20 20 GLY HA3 H 20 3.532 3.966 -0.434 1
1 237 . 4 1 1 A 20 20 GLY CA C 20 45.045 45.346 -0.301 1
1 238 . 4 1 1 A 20 20 GLY N N 20 112.434 111.489 0.945 1
1 239 . 4 1 1 A 21 21 ASP H H 21 7.933 7.926 0.007 1
1 240 . 4 1 1 A 21 21 ASP HA H 21 4.499 5.021 -0.522 1
1 243 . 4 1 1 A 21 21 ASP CA C 21 55.383 53.114 2.269 1
1 244 . 4 1 1 A 21 21 ASP CB C 21 41.067 42.837 -1.770 1
1 245 . 4 1 1 A 21 21 ASP N N 21 121.505 120.486 1.019 1
1 246 . 4 1 1 A 22 22 LYS H H 22 8.311 8.349 -0.038 1
1 247 . 4 1 1 A 22 22 LYS HA H 22 4.871 5.136 -0.265 1
1 256 . 4 1 1 A 22 22 LYS CA C 22 55.659 54.690 0.969 1
1 257 . 4 1 1 A 22 22 LYS CB C 22 31.820 35.277 -3.457 1
1 261 . 4 1 1 A 22 22 LYS N N 22 120.225 119.042 1.183 1
1 262 . 4 1 1 A 23 23 VAL H H 23 8.935 9.307 -0.372 1
1 263 . 4 1 1 A 23 23 VAL HA H 23 4.841 5.070 -0.229 1
1 271 . 4 1 1 A 23 23 VAL CA C 23 58.502 59.366 -0.864 1
1 272 . 4 1 1 A 23 23 VAL CB C 23 34.507 35.609 -1.102 1
1 275 . 4 1 1 A 23 23 VAL N N 23 117.700 118.339 -0.639 1
1 276 . 4 1 1 A 24 24 LYS H H 24 7.960 8.475 -0.515 1
1 277 . 4 1 1 A 24 24 LYS HA H 24 4.838 5.021 -0.183 1
1 286 . 4 1 1 A 24 24 LYS CA C 24 53.195 54.224 -1.029 1
1 287 . 4 1 1 A 24 24 LYS CB C 24 35.213 36.559 -1.346 1
1 291 . 4 1 1 A 24 24 LYS N N 24 121.958 120.485 1.473 1
1 292 . 4 1 1 A 25 25 LYS H H 25 8.915 8.560 0.355 1
1 293 . 4 1 1 A 25 25 LYS HA H 25 3.156 4.145 -0.989 1
1 300 . 4 1 1 A 25 25 LYS CA C 25 58.648 57.531 1.117 1
1 301 . 4 1 1 A 25 25 LYS CB C 25 32.648 31.263 1.385 1
1 304 . 4 1 1 A 25 25 LYS N N 25 121.653 121.692 -0.039 1
1 305 . 4 1 1 A 26 26 GLY H H 26 8.900 8.664 0.236 1
1 306 . 4 1 1 A 26 26 GLY HA2 H 26 4.283 3.931 0.352 1
1 307 . 4 1 1 A 26 26 GLY HA3 H 26 3.471 3.937 -0.466 1
1 308 . 4 1 1 A 26 26 GLY CA C 26 45.263 45.431 -0.168 1
1 309 . 4 1 1 A 26 26 GLY N N 26 115.268 112.943 2.325 1
1 310 . 4 1 1 A 27 27 GLN H H 27 8.433 7.541 0.892 1
1 311 . 4 1 1 A 27 27 GLN HA H 27 4.141 4.411 -0.270 1
1 318 . 4 1 1 A 27 27 GLN CA C 27 56.324 55.505 0.819 1
1 319 . 4 1 1 A 27 27 GLN CB C 27 30.520 29.737 0.783 1
1 321 . 4 1 1 A 27 27 GLN N N 27 123.155 121.062 2.093 1
1 323 . 4 1 1 A 28 28 THR H H 28 9.110 8.948 0.162 1
1 324 . 4 1 1 A 28 28 THR HA H 28 3.893 4.181 -0.288 1
1 329 . 4 1 1 A 28 28 THR CA C 28 65.828 64.117 1.711 1
1 330 . 4 1 1 A 28 28 THR CB C 28 68.581 69.237 -0.656 1
1 332 . 4 1 1 A 28 28 THR N N 28 124.748 121.505 3.243 1
1 333 . 4 1 1 A 29 29 LEU H H 29 9.509 8.954 0.555 1
1 334 . 4 1 1 A 29 29 LEU HA H 29 4.383 4.435 -0.052 1
1 344 . 4 1 1 A 29 29 LEU CA C 29 55.795 55.442 0.353 1
1 345 . 4 1 1 A 29 29 LEU CB C 29 44.572 44.349 0.223 1
1 349 . 4 1 1 A 29 29 LEU N N 29 125.873 126.391 -0.518 1
1 350 . 4 1 1 A 30 30 PHE H H 30 7.579 7.665 -0.086 1
1 351 . 4 1 1 A 30 30 PHE HA H 30 5.367 5.285 0.082 1
1 359 . 4 1 1 A 30 30 PHE CA C 30 55.486 56.014 -0.528 1
1 360 . 4 1 1 A 30 30 PHE CB C 30 44.887 42.915 1.972 1
1 361 . 4 1 1 A 30 30 PHE N N 30 111.134 114.989 -3.855 1
1 362 . 4 1 1 A 31 31 ILE H H 31 7.858 8.477 -0.619 1
1 363 . 4 1 1 A 31 31 ILE HA H 31 4.817 4.983 -0.166 1
1 373 . 4 1 1 A 31 31 ILE CA C 31 60.063 59.901 0.162 1
1 374 . 4 1 1 A 31 31 ILE CB C 31 39.395 42.594 -3.199 1
1 378 . 4 1 1 A 31 31 ILE N N 31 119.416 119.683 -0.267 1
1 379 . 4 1 1 A 32 32 ILE H H 32 9.107 8.553 0.554 1
1 380 . 4 1 1 A 32 32 ILE HA H 32 4.842 5.024 -0.182 1
1 390 . 4 1 1 A 32 32 ILE CA C 32 59.002 60.167 -1.165 1
1 391 . 4 1 1 A 32 32 ILE CB C 32 42.048 42.321 -0.273 1
1 395 . 4 1 1 A 32 32 ILE N N 32 127.892 126.026 1.866 1
1 396 . 4 1 1 A 33 33 GLU H H 33 9.095 9.281 -0.186 1
1 397 . 4 1 1 A 33 33 GLU HA H 33 4.642 5.206 -0.564 1
1 402 . 4 1 1 A 33 33 GLU CA C 33 54.985 55.025 -0.040 1
1 403 . 4 1 1 A 33 33 GLU CB C 33 31.672 31.683 -0.011 1
1 405 . 4 1 1 A 33 33 GLU N N 33 128.157 127.781 0.376 1
1 406 . 4 1 1 A 34 34 GLN H H 34 8.725 9.378 -0.653 1
1 407 . 4 1 1 A 34 34 GLN HA H 34 4.354 4.936 -0.582 1
1 414 . 4 1 1 A 34 34 GLN CA C 34 56.807 54.468 2.339 1
1 415 . 4 1 1 A 34 34 GLN CB C 34 30.119 30.698 -0.579 1
1 417 . 4 1 1 A 34 34 GLN N N 34 128.123 124.017 4.106 1
1 419 . 4 1 1 A 35 35 ASP H H 35 8.524 8.630 -0.106 1
1 420 . 4 1 1 A 35 35 ASP HA H 35 4.609 5.079 -0.470 1
1 423 . 4 1 1 A 35 35 ASP CA C 35 54.226 53.375 0.851 1
1 424 . 4 1 1 A 35 35 ASP CB C 35 41.429 42.556 -1.127 1
1 425 . 4 1 1 A 35 35 ASP N N 35 122.485 120.188 2.297 1
1 426 . 4 1 1 A 36 36 GLN H H 36 8.576 8.547 0.029 1
1 427 . 4 1 1 A 36 36 GLN HA H 36 4.041 4.644 -0.603 1
1 434 . 4 1 1 A 36 36 GLN CA C 36 56.662 55.010 1.652 1
1 435 . 4 1 1 A 36 36 GLN CB C 36 29.166 29.500 -0.334 1
1 437 . 4 1 1 A 36 36 GLN N N 36 123.321 122.073 1.248 1
1 439 . 4 1 1 A 37 37 ALA H H 37 8.322 8.095 0.227 1
1 440 . 4 1 1 A 37 37 ALA HA H 37 4.232 4.093 0.139 1
1 444 . 4 1 1 A 37 37 ALA CA C 37 53.231 54.217 -0.986 1
1 445 . 4 1 1 A 37 37 ALA CB C 37 19.020 19.290 -0.270 1
1 446 . 4 1 1 A 37 37 ALA N N 37 123.086 124.079 -0.993 1
1 447 . 4 1 1 A 38 38 SER H H 38 7.919 7.513 0.406 1
1 448 . 4 1 1 A 38 38 SER HA H 38 4.283 4.466 -0.183 1
1 451 . 4 1 1 A 38 38 SER CA C 38 58.884 56.626 2.258 1
1 452 . 4 1 1 A 38 38 SER CB C 38 63.835 64.865 -1.030 1
1 453 . 4 1 1 A 38 38 SER N N 38 113.578 108.907 4.671 1
1 454 . 4 1 1 A 39 39 LYS H H 39 8.153 8.515 -0.362 1
1 455 . 4 1 1 A 39 39 LYS HA H 39 4.140 4.543 -0.403 1
1 463 . 4 1 1 A 39 39 LYS CA C 39 57.127 56.669 0.458 1
1 464 . 4 1 1 A 39 39 LYS CB C 39 32.812 32.782 0.030 1
1 468 . 4 1 1 A 39 39 LYS N N 39 122.651 122.832 -0.181 1
1 469 . 4 1 1 A 40 40 ASP H H 40 8.100 8.252 -0.152 1
1 470 . 4 1 1 A 40 40 ASP HA H 40 4.532 4.970 -0.438 1
1 473 . 4 1 1 A 40 40 ASP CA C 40 54.376 53.152 1.224 1
1 474 . 4 1 1 A 40 40 ASP CB C 40 41.245 41.514 -0.269 1
1 475 . 4 1 1 A 40 40 ASP N N 40 119.441 117.517 1.924 1
1 476 . 4 1 1 A 41 41 PHE H H 41 7.924 7.939 -0.015 1
1 477 . 4 1 1 A 41 41 PHE HA H 41 4.384 4.446 -0.062 1
1 484 . 4 1 1 A 41 41 PHE CA C 41 58.704 60.009 -1.305 1
1 485 . 4 1 1 A 41 41 PHE CB C 41 39.397 40.481 -1.084 1
1 486 . 4 1 1 A 41 41 PHE N N 41 121.124 118.804 2.320 1
1 487 . 4 1 1 A 42 42 ASN H H 42 8.311 7.896 0.415 1
1 488 . 4 1 1 A 42 42 ASN HA H 42 4.523 4.633 -0.110 1
1 492 . 4 1 1 A 42 42 ASN CA C 42 53.133 54.060 -0.927 1
1 493 . 4 1 1 A 42 42 ASN CB C 42 38.801 38.924 -0.123 1
1 494 . 4 1 1 A 42 42 ASN N N 42 120.181 116.158 4.023 1
1 496 . 4 1 1 A 43 43 ARG H H 43 8.133 8.866 -0.733 1
1 497 . 4 1 1 A 43 43 ARG HA H 43 4.115 4.445 -0.330 1
1 504 . 4 1 1 A 43 43 ARG CA C 43 57.051 55.916 1.135 1
1 505 . 4 1 1 A 43 43 ARG CB C 43 30.514 30.819 -0.305 1
1 508 . 4 1 1 A 43 43 ARG N N 43 121.727 122.983 -1.256 1
1 509 . 4 1 1 A 44 44 SER H H 44 8.174 8.067 0.107 1
1 510 . 4 1 1 A 44 44 SER HA H 44 4.286 4.476 -0.190 1
1 513 . 4 1 1 A 44 44 SER CA C 44 59.344 58.783 0.561 1
1 514 . 4 1 1 A 44 44 SER CB C 44 63.357 62.480 0.877 1
1 515 . 4 1 1 A 44 44 SER N N 44 115.718 114.220 1.498 1
1 516 . 4 1 1 A 45 45 LYS H H 45 7.963 8.779 -0.816 1
1 517 . 4 1 1 A 45 45 LYS HA H 45 4.123 4.401 -0.278 1
1 526 . 4 1 1 A 45 45 LYS CA C 45 56.866 55.782 1.084 1
1 527 . 4 1 1 A 45 45 LYS CB C 45 32.777 32.619 0.158 1
1 530 . 4 1 1 A 45 45 LYS N N 45 122.326 123.633 -1.307 1
1 531 . 4 1 1 A 46 46 ALA H H 46 7.965 8.070 -0.105 1
1 532 . 4 1 1 A 46 46 ALA HA H 46 4.165 4.155 0.010 1
1 536 . 4 1 1 A 46 46 ALA CA C 46 52.999 52.888 0.111 1
1 537 . 4 1 1 A 46 46 ALA CB C 46 18.944 18.095 0.849 1
1 538 . 4 1 1 A 46 46 ALA N N 46 123.536 121.057 2.479 1
1 539 . 4 1 1 A 47 47 LEU H H 47 7.898 8.592 -0.694 1
1 540 . 4 1 1 A 47 47 LEU HA H 47 4.158 5.033 -0.875 1
1 550 . 4 1 1 A 47 47 LEU CA C 47 55.583 53.733 1.850 1
1 551 . 4 1 1 A 47 47 LEU CB C 47 42.404 44.988 -2.584 1
1 555 . 4 1 1 A 47 47 LEU N N 47 119.914 123.314 -3.400 1
1 556 . 4 1 1 A 48 48 PHE H H 48 7.981 8.932 -0.951 1
1 557 . 4 1 1 A 48 48 PHE HA H 48 4.539 4.943 -0.404 1
1 564 . 4 1 1 A 48 48 PHE CA C 48 58.033 55.888 2.145 1
1 565 . 4 1 1 A 48 48 PHE CB C 48 39.470 38.831 0.639 1
1 566 . 4 1 1 A 48 48 PHE N N 48 119.602 120.510 -0.908 1
1 567 . 4 1 1 A 49 49 SER H H 49 8.028 7.801 0.227 1
1 568 . 4 1 1 A 49 49 SER HA H 49 4.332 4.259 0.073 1
1 571 . 4 1 1 A 49 49 SER CA C 49 58.581 56.524 2.057 1
1 572 . 4 1 1 A 49 49 SER CB C 49 63.866 61.547 2.319 1
1 573 . 4 1 1 A 49 49 SER N N 49 116.270 116.520 -0.250 1
1 574 . 4 1 1 A 50 50 GLN H H 50 8.266 8.433 -0.167 1
1 575 . 4 1 1 A 50 50 GLN HA H 50 4.257 4.243 0.014 1
1 582 . 4 1 1 A 50 50 GLN CA C 50 56.435 58.306 -1.871 1
1 583 . 4 1 1 A 50 50 GLN CB C 50 29.204 28.346 0.858 1
1 585 . 4 1 1 A 50 50 GLN N N 50 121.931 125.385 -3.454 1
1 587 . 4 1 1 A 51 51 SER H H 51 8.147 8.754 -0.607 1
1 588 . 4 1 1 A 51 51 SER HA H 51 4.338 4.197 0.141 1
1 591 . 4 1 1 A 51 51 SER CA C 51 58.645 61.634 -2.989 1
1 592 . 4 1 1 A 51 51 SER CB C 51 63.784 62.787 0.997 1
1 593 . 4 1 1 A 51 51 SER N N 51 115.676 114.214 1.462 1
1 594 . 4 1 1 A 52 52 ALA H H 52 8.175 7.992 0.183 1
1 595 . 4 1 1 A 52 52 ALA HA H 52 4.265 4.236 0.029 1
1 599 . 4 1 1 A 52 52 ALA CA C 52 53.031 55.373 -2.342 1
1 600 . 4 1 1 A 52 52 ALA CB C 52 18.941 18.517 0.424 1
1 601 . 4 1 1 A 52 52 ALA N N 52 125.360 122.797 2.563 1
1 602 . 4 1 1 A 53 53 ILE H H 53 7.870 7.914 -0.044 1
1 603 . 4 1 1 A 53 53 ILE HA H 53 4.099 4.261 -0.162 1
1 613 . 4 1 1 A 53 53 ILE CA C 53 61.558 62.053 -0.495 1
1 614 . 4 1 1 A 53 53 ILE CB C 53 38.851 38.285 0.566 1
1 618 . 4 1 1 A 53 53 ILE N N 53 118.231 117.907 0.324 1
1 619 . 4 1 1 A 54 54 SER H H 54 8.159 8.560 -0.401 1
1 620 . 4 1 1 A 54 54 SER HA H 54 4.384 4.724 -0.340 1
1 623 . 4 1 1 A 54 54 SER CA C 54 58.551 56.601 1.950 1
1 624 . 4 1 1 A 54 54 SER CB C 54 63.964 65.351 -1.387 1
1 625 . 4 1 1 A 54 54 SER N N 54 118.588 119.626 -1.038 1
1 626 . 4 1 1 A 55 55 GLN H H 55 8.301 8.995 -0.694 1
1 627 . 4 1 1 A 55 55 GLN HA H 55 4.214 4.241 -0.027 1
1 634 . 4 1 1 A 55 55 GLN CA C 55 56.547 57.801 -1.254 1
1 635 . 4 1 1 A 55 55 GLN CB C 55 29.292 28.042 1.250 1
1 637 . 4 1 1 A 55 55 GLN N N 55 122.173 122.240 -0.067 1
1 639 . 4 1 1 A 56 56 LYS H H 56 8.163 8.238 -0.075 1
1 640 . 4 1 1 A 56 56 LYS HA H 56 4.177 4.131 0.046 1
1 647 . 4 1 1 A 56 56 LYS CA C 56 56.978 59.378 -2.400 1
1 648 . 4 1 1 A 56 56 LYS CB C 56 32.855 32.353 0.502 1
1 651 . 4 1 1 A 56 56 LYS N N 56 121.126 119.657 1.469 1
1 652 . 4 1 1 A 57 57 GLU H H 57 8.211 8.086 0.125 1
1 653 . 4 1 1 A 57 57 GLU HA H 57 4.151 4.701 -0.550 1
1 658 . 4 1 1 A 57 57 GLU CA C 57 57.058 55.516 1.542 1
1 659 . 4 1 1 A 57 57 GLU CB C 57 30.211 30.440 -0.229 1
1 661 . 4 1 1 A 57 57 GLU N N 57 120.615 117.879 2.736 1
1 662 . 4 1 1 A 58 58 TYR H H 58 8.070 8.669 -0.599 1
1 663 . 4 1 1 A 58 58 TYR HA H 58 4.375 4.888 -0.513 1
1 670 . 4 1 1 A 58 58 TYR CA C 58 58.570 57.617 0.953 1
1 671 . 4 1 1 A 58 58 TYR CB C 58 38.962 40.972 -2.010 1
1 672 . 4 1 1 A 58 58 TYR N N 58 120.822 122.405 -1.583 1
1 673 . 4 1 1 A 59 59 ASP H H 59 8.146 8.948 -0.802 1
1 674 . 4 1 1 A 59 59 ASP HA H 59 4.492 5.096 -0.604 1
1 677 . 4 1 1 A 59 59 ASP CA C 59 54.396 52.732 1.664 1
1 678 . 4 1 1 A 59 59 ASP CB C 59 41.086 43.567 -2.481 1
1 679 . 4 1 1 A 59 59 ASP N N 59 122.551 120.911 1.640 1
1 680 . 4 1 1 A 60 60 SER H H 60 8.253 8.852 -0.599 1
1 681 . 4 1 1 A 60 60 SER HA H 60 4.260 4.476 -0.216 1
1 684 . 4 1 1 A 60 60 SER CA C 60 59.533 59.726 -0.193 1
1 685 . 4 1 1 A 60 60 SER CB C 60 63.422 63.882 -0.460 1
1 686 . 4 1 1 A 60 60 SER N N 60 117.657 117.167 0.490 1
1 687 . 4 1 1 A 61 61 SER H H 61 8.344 8.348 -0.004 1
1 688 . 4 1 1 A 61 61 SER HA H 61 4.307 4.338 -0.031 1
1 691 . 4 1 1 A 61 61 SER CA C 61 59.755 62.026 -2.271 1
1 692 . 4 1 1 A 61 61 SER CB C 61 63.582 62.560 1.022 1
1 693 . 4 1 1 A 61 61 SER N N 61 118.129 116.282 1.847 1
1 694 . 4 1 1 A 62 62 LEU H H 62 7.759 7.786 -0.027 1
1 695 . 4 1 1 A 62 62 LEU HA H 62 4.234 4.318 -0.084 1
1 705 . 4 1 1 A 62 62 LEU CA C 62 55.464 56.732 -1.268 1
1 706 . 4 1 1 A 62 62 LEU CB C 62 42.238 41.696 0.542 1
1 710 . 4 1 1 A 62 62 LEU N N 62 122.627 117.229 5.398 1
1 711 . 4 1 1 A 63 63 ALA H H 63 7.919 7.279 0.640 1
1 712 . 4 1 1 A 63 63 ALA HA H 63 4.276 4.292 -0.016 1
1 716 . 4 1 1 A 63 63 ALA CA C 63 52.922 52.734 0.188 1
1 717 . 4 1 1 A 63 63 ALA CB C 63 19.221 19.021 0.200 1
1 718 . 4 1 1 A 63 63 ALA N N 63 123.444 124.190 -0.746 1
1 719 . 4 1 1 A 64 64 THR H H 64 7.890 8.740 -0.850 1
1 720 . 4 1 1 A 64 64 THR HA H 64 4.217 4.326 -0.109 1
1 725 . 4 1 1 A 64 64 THR CA C 64 61.787 62.267 -0.480 1
1 726 . 4 1 1 A 64 64 THR CB C 64 69.719 68.843 0.876 1
1 728 . 4 1 1 A 64 64 THR N N 64 112.279 117.541 -5.262 1
1 729 . 4 1 1 A 65 65 LEU H H 65 8.009 8.536 -0.527 1
1 730 . 4 1 1 A 65 65 LEU HA H 65 4.295 4.694 -0.399 1
1 740 . 4 1 1 A 65 65 LEU CA C 65 55.345 54.330 1.015 1
1 741 . 4 1 1 A 65 65 LEU CB C 65 42.412 43.117 -0.705 1
1 745 . 4 1 1 A 65 65 LEU N N 65 123.586 121.290 2.296 1
1 746 . 4 1 1 A 66 66 ASP H H 66 8.288 7.613 0.675 1
1 747 . 4 1 1 A 66 66 ASP HA H 66 4.564 4.298 0.266 1
1 750 . 4 1 1 A 66 66 ASP CA C 66 54.676 54.423 0.253 1
1 751 . 4 1 1 A 66 66 ASP CB C 66 41.376 41.233 0.143 1
1 752 . 4 1 1 A 66 66 ASP N N 66 120.344 120.810 -0.466 1
1 753 . 4 1 1 A 67 67 HIS H H 67 8.058 8.254 -0.196 1
1 754 . 4 1 1 A 67 67 HIS HA H 67 5.247 5.646 -0.399 1
1 758 . 4 1 1 A 67 67 HIS CA C 67 55.260 53.121 2.139 1
1 759 . 4 1 1 A 67 67 HIS CB C 67 31.974 32.773 -0.799 1
1 760 . 4 1 1 A 67 67 HIS N N 67 119.406 119.938 -0.532 1
1 761 . 4 1 1 A 68 68 THR H H 68 8.919 9.019 -0.100 1
1 762 . 4 1 1 A 68 68 THR HA H 68 4.484 4.971 -0.487 1
1 767 . 4 1 1 A 68 68 THR CA C 68 62.542 61.231 1.311 1
1 768 . 4 1 1 A 68 68 THR CB C 68 71.067 72.116 -1.049 1
1 770 . 4 1 1 A 68 68 THR N N 68 117.233 113.461 3.772 1
1 771 . 4 1 1 A 69 69 GLU H H 69 8.649 8.759 -0.110 1
1 772 . 4 1 1 A 69 69 GLU HA H 69 4.703 4.656 0.047 1
1 777 . 4 1 1 A 69 69 GLU CA C 69 55.886 56.241 -0.355 1
1 778 . 4 1 1 A 69 69 GLU CB C 69 31.746 30.187 1.559 1
1 780 . 4 1 1 A 69 69 GLU N N 69 124.187 126.761 -2.574 1
1 781 . 4 1 1 A 70 70 ILE H H 70 8.601 8.985 -0.384 1
1 782 . 4 1 1 A 70 70 ILE HA H 70 4.405 4.387 0.018 1
1 792 . 4 1 1 A 70 70 ILE CA C 70 59.234 61.520 -2.286 1
1 793 . 4 1 1 A 70 70 ILE CB C 70 37.318 36.941 0.377 1
1 797 . 4 1 1 A 70 70 ILE N N 70 123.482 126.762 -3.280 1
1 798 . 4 1 1 A 71 71 LYS H H 71 8.926 7.883 1.043 1
1 799 . 4 1 1 A 71 71 LYS HA H 71 5.078 4.936 0.142 1
1 806 . 4 1 1 A 71 71 LYS CA C 71 54.584 55.829 -1.245 1
1 807 . 4 1 1 A 71 71 LYS CB C 71 36.281 33.410 2.871 1
1 810 . 4 1 1 A 71 71 LYS N N 71 128.267 126.412 1.855 1
1 811 . 4 1 1 A 72 72 ALA H H 72 8.633 8.730 -0.097 1
1 812 . 4 1 1 A 72 72 ALA HA H 72 4.067 4.415 -0.348 1
1 816 . 4 1 1 A 72 72 ALA CA C 72 49.967 50.863 -0.896 1
1 817 . 4 1 1 A 72 72 ALA CB C 72 17.255 17.735 -0.480 1
1 818 . 4 1 1 A 72 72 ALA N N 72 123.088 123.090 -0.002 1
1 819 . 4 1 1 A 73 73 PRO HA H 73 4.333 4.447 -0.114 1
1 826 . 4 1 1 A 73 73 PRO CA C 73 63.716 64.567 -0.851 1
1 827 . 4 1 1 A 73 73 PRO CB C 73 31.915 32.113 -0.198 1
1 830 . 4 1 1 A 74 74 PHE H H 74 6.768 6.906 -0.138 1
1 831 . 4 1 1 A 74 74 PHE HA H 74 4.421 4.874 -0.453 1
1 838 . 4 1 1 A 74 74 PHE CA C 74 54.396 56.487 -2.091 1
1 839 . 4 1 1 A 74 74 PHE CB C 74 40.697 40.781 -0.084 1
1 840 . 4 1 1 A 74 74 PHE N N 74 112.022 112.295 -0.273 1
1 841 . 4 1 1 A 75 75 ASP H H 75 8.583 8.828 -0.245 1
1 842 . 4 1 1 A 75 75 ASP HA H 75 4.922 4.555 0.367 1
1 845 . 4 1 1 A 75 75 ASP CA C 75 53.873 54.947 -1.074 1
1 846 . 4 1 1 A 75 75 ASP CB C 75 40.839 41.288 -0.449 1
1 847 . 4 1 1 A 75 75 ASP N N 75 118.252 120.417 -2.165 1
1 848 . 4 1 1 A 76 76 GLY H H 76 8.348 8.196 0.152 1
1 849 . 4 1 1 A 76 76 GLY HA2 H 76 4.236 4.205 0.031 1
1 850 . 4 1 1 A 76 76 GLY HA3 H 76 4.075 4.239 -0.164 1
1 851 . 4 1 1 A 76 76 GLY CA C 76 46.639 45.017 1.622 1
1 852 . 4 1 1 A 76 76 GLY N N 76 108.729 107.449 1.280 1
1 853 . 4 1 1 A 77 77 THR H H 77 8.623 8.519 0.104 1
1 854 . 4 1 1 A 77 77 THR HA H 77 4.975 4.637 0.338 1
1 859 . 4 1 1 A 77 77 THR CA C 77 61.752 63.020 -1.268 1
1 860 . 4 1 1 A 77 77 THR CB C 77 70.121 69.753 0.368 1
1 862 . 4 1 1 A 77 77 THR N N 77 116.400 115.964 0.436 1
1 863 . 4 1 1 A 78 78 ILE H H 78 8.824 8.800 0.024 1
1 864 . 4 1 1 A 78 78 ILE HA H 78 4.673 4.946 -0.273 1
1 874 . 4 1 1 A 78 78 ILE CA C 78 60.164 59.374 0.790 1
1 875 . 4 1 1 A 78 78 ILE CB C 78 42.973 42.319 0.654 1
1 879 . 4 1 1 A 78 78 ILE N N 78 129.310 124.581 4.729 1
1 880 . 4 1 1 A 79 79 GLY H H 79 8.060 8.393 -0.333 1
1 881 . 4 1 1 A 79 79 GLY HA2 H 79 4.404 4.114 0.290 1
1 882 . 4 1 1 A 79 79 GLY HA3 H 79 3.775 4.115 -0.340 1
1 883 . 4 1 1 A 79 79 GLY CA C 79 44.149 44.499 -0.350 1
1 884 . 4 1 1 A 79 79 GLY N N 79 114.539 115.873 -1.334 1
1 885 . 4 1 1 A 80 80 ASP H H 80 7.804 8.462 -0.658 1
1 886 . 4 1 1 A 80 80 ASP HA H 80 4.703 5.262 -0.559 1
1 889 . 4 1 1 A 80 80 ASP CA C 80 53.703 52.348 1.355 1
1 890 . 4 1 1 A 80 80 ASP CB C 80 41.918 42.403 -0.485 1
1 891 . 4 1 1 A 80 80 ASP N N 80 113.688 119.297 -5.609 1
1 892 . 4 1 1 A 81 81 ALA H H 81 8.566 9.064 -0.498 1
1 893 . 4 1 1 A 81 81 ALA HA H 81 4.571 4.728 -0.157 1
1 897 . 4 1 1 A 81 81 ALA CA C 81 53.312 52.292 1.020 1
1 898 . 4 1 1 A 81 81 ALA CB C 81 20.381 19.957 0.424 1
1 899 . 4 1 1 A 81 81 ALA N N 81 124.136 124.076 0.060 1
1 900 . 4 1 1 A 82 82 LEU H H 82 8.747 8.803 -0.056 1
1 901 . 4 1 1 A 82 82 LEU HA H 82 4.345 4.439 -0.094 1
1 910 . 4 1 1 A 82 82 LEU CA C 82 55.210 55.900 -0.690 1
1 911 . 4 1 1 A 82 82 LEU CB C 82 41.457 43.027 -1.570 1
1 914 . 4 1 1 A 82 82 LEU N N 82 121.773 120.664 1.109 1
1 915 . 4 1 1 A 83 83 VAL H H 83 7.141 7.353 -0.212 1
1 916 . 4 1 1 A 83 83 VAL HA H 83 4.496 4.636 -0.140 1
1 924 . 4 1 1 A 83 83 VAL CA C 83 58.502 59.918 -1.416 1
1 925 . 4 1 1 A 83 83 VAL CB C 83 35.229 34.109 1.120 1
1 928 . 4 1 1 A 83 83 VAL N N 83 108.169 114.515 -6.346 1
1 929 . 4 1 1 A 84 84 ASN H H 84 9.076 9.018 0.058 1
1 930 . 4 1 1 A 84 84 ASN HA H 84 4.887 5.218 -0.331 1
1 935 . 4 1 1 A 84 84 ASN CA C 84 51.248 52.001 -0.753 1
1 936 . 4 1 1 A 84 84 ASN CB C 84 41.989 41.752 0.237 1
1 937 . 4 1 1 A 84 84 ASN N N 84 119.502 118.896 0.606 1
1 939 . 4 1 1 A 85 85 ILE H H 85 8.404 8.447 -0.043 1
1 940 . 4 1 1 A 85 85 ILE HA H 85 3.393 3.874 -0.481 1
1 950 . 4 1 1 A 85 85 ILE CA C 85 63.873 63.438 0.435 1
1 951 . 4 1 1 A 85 85 ILE CB C 85 37.146 38.433 -1.287 1
1 955 . 4 1 1 A 85 85 ILE N N 85 119.409 121.712 -2.303 1
1 956 . 4 1 1 A 86 86 GLY H H 86 9.239 8.687 0.552 1
1 957 . 4 1 1 A 86 86 GLY HA2 H 86 4.401 3.884 0.517 1
1 958 . 4 1 1 A 86 86 GLY HA3 H 86 3.411 3.885 -0.474 1
1 959 . 4 1 1 A 86 86 GLY CA C 86 44.869 46.041 -1.172 1
1 960 . 4 1 1 A 86 86 GLY N N 86 117.321 115.269 2.052 1
1 961 . 4 1 1 A 87 87 ASP H H 87 7.968 8.108 -0.140 1
1 962 . 4 1 1 A 87 87 ASP HA H 87 4.607 4.893 -0.286 1
1 965 . 4 1 1 A 87 87 ASP CA C 87 54.886 53.211 1.675 1
1 966 . 4 1 1 A 87 87 ASP CB C 87 40.771 42.796 -2.025 1
1 967 . 4 1 1 A 87 87 ASP N N 87 121.490 121.251 0.239 1
1 968 . 4 1 1 A 88 88 TYR H H 88 8.566 9.006 -0.440 1
1 969 . 4 1 1 A 88 88 TYR HA H 88 4.712 4.807 -0.095 1
1 976 . 4 1 1 A 88 88 TYR CA C 88 57.826 59.646 -1.820 1
1 977 . 4 1 1 A 88 88 TYR CB C 88 39.243 39.250 -0.007 1
1 978 . 4 1 1 A 88 88 TYR N N 88 122.340 126.707 -4.367 1
1 979 . 4 1 1 A 89 89 VAL H H 89 8.951 8.436 0.515 1
1 980 . 4 1 1 A 89 89 VAL HA H 89 4.578 4.790 -0.212 1
1 988 . 4 1 1 A 89 89 VAL CA C 89 58.339 59.110 -0.771 1
1 989 . 4 1 1 A 89 89 VAL CB C 89 34.321 35.053 -0.732 1
1 992 . 4 1 1 A 89 89 VAL N N 89 121.914 120.725 1.189 1
1 993 . 4 1 1 A 90 90 SER H H 90 8.777 8.619 0.158 1
1 994 . 4 1 1 A 90 90 SER HA H 90 4.750 4.434 0.316 1
1 997 . 4 1 1 A 90 90 SER CA C 90 56.895 57.604 -0.709 1
1 998 . 4 1 1 A 90 90 SER CB C 90 64.866 64.871 -0.005 1
1 999 . 4 1 1 A 90 90 SER N N 90 114.813 119.186 -4.373 1
1 1000 . 4 1 1 A 91 91 ALA H H 91 8.712 8.592 0.120 1
1 1001 . 4 1 1 A 91 91 ALA HA H 91 3.515 4.363 -0.848 1
1 1005 . 4 1 1 A 91 91 ALA CA C 91 53.317 51.221 2.096 1
1 1006 . 4 1 1 A 91 91 ALA CB C 91 18.678 19.874 -1.196 1
1 1007 . 4 1 1 A 91 91 ALA N N 91 129.870 124.254 5.616 1
1 1008 . 4 1 1 A 92 92 SER H H 92 9.170 8.784 0.386 1
1 1009 . 4 1 1 A 92 92 SER HA H 92 3.817 4.068 -0.251 1
1 1012 . 4 1 1 A 92 92 SER CA C 92 60.652 60.857 -0.205 1
1 1013 . 4 1 1 A 92 92 SER CB C 92 62.505 62.871 -0.366 1
1 1014 . 4 1 1 A 92 92 SER N N 92 113.294 112.578 0.716 1
1 1015 . 4 1 1 A 93 93 THR H H 93 7.816 7.836 -0.020 1
1 1016 . 4 1 1 A 93 93 THR HA H 93 4.402 4.068 0.334 1
1 1021 . 4 1 1 A 93 93 THR CA C 93 64.378 66.052 -1.674 1
1 1022 . 4 1 1 A 93 93 THR CB C 93 70.948 68.757 2.191 1
1 1024 . 4 1 1 A 93 93 THR N N 93 113.858 115.250 -1.392 1
1 1025 . 4 1 1 A 94 94 THR H H 94 7.702 7.896 -0.194 1
1 1026 . 4 1 1 A 94 94 THR HA H 94 3.910 4.267 -0.357 1
1 1031 . 4 1 1 A 94 94 THR CA C 94 65.140 61.659 3.481 1
1 1032 . 4 1 1 A 94 94 THR CB C 94 70.001 68.857 1.144 1
1 1034 . 4 1 1 A 94 94 THR N N 94 119.588 116.819 2.769 1
1 1035 . 4 1 1 A 95 95 GLU H H 95 8.407 8.924 -0.517 1
1 1036 . 4 1 1 A 95 95 GLU HA H 95 3.801 4.476 -0.675 1
1 1041 . 4 1 1 A 95 95 GLU CA C 95 56.613 55.856 0.757 1
1 1042 . 4 1 1 A 95 95 GLU CB C 95 29.600 30.401 -0.801 1
1 1044 . 4 1 1 A 95 95 GLU N N 95 124.764 128.912 -4.148 1
1 1045 . 4 1 1 A 96 96 LEU H H 96 8.750 8.878 -0.128 1
1 1046 . 4 1 1 A 96 96 LEU HA H 96 4.260 4.166 0.094 1
1 1056 . 4 1 1 A 96 96 LEU CA C 96 56.927 55.993 0.934 1
1 1057 . 4 1 1 A 96 96 LEU CB C 96 43.310 41.812 1.498 1
1 1061 . 4 1 1 A 96 96 LEU N N 96 120.035 126.498 -6.463 1
1 1062 . 4 1 1 A 97 97 VAL H H 97 7.053 7.450 -0.397 1
1 1063 . 4 1 1 A 97 97 VAL HA H 97 4.345 4.597 -0.252 1
1 1071 . 4 1 1 A 97 97 VAL CA C 97 61.291 59.523 1.768 1
1 1072 . 4 1 1 A 97 97 VAL CB C 97 31.577 35.734 -4.157 1
1 1075 . 4 1 1 A 97 97 VAL N N 97 112.365 114.967 -2.602 1
1 1076 . 4 1 1 A 98 98 ARG H H 98 8.980 8.693 0.287 1
1 1077 . 4 1 1 A 98 98 ARG HA H 98 5.267 4.973 0.294 1
1 1084 . 4 1 1 A 98 98 ARG CA C 98 55.195 54.594 0.601 1
1 1085 . 4 1 1 A 98 98 ARG CB C 98 32.818 33.432 -0.614 1
1 1088 . 4 1 1 A 98 98 ARG N N 98 127.477 125.725 1.752 1
1 1089 . 4 1 1 A 99 99 VAL H H 99 8.887 9.172 -0.285 1
1 1090 . 4 1 1 A 99 99 VAL HA H 99 4.556 4.948 -0.392 1
1 1095 . 4 1 1 A 99 99 VAL CA C 99 60.968 60.043 0.925 1
1 1096 . 4 1 1 A 99 99 VAL CB C 99 34.186 33.991 0.195 1
1 1098 . 4 1 1 A 99 99 VAL N N 99 122.826 122.181 0.645 1
1 1099 . 4 1 1 A 100 100 THR H H 100 8.833 8.946 -0.113 1
1 1100 . 4 1 1 A 100 100 THR HA H 100 4.559 4.981 -0.422 1
1 1105 . 4 1 1 A 100 100 THR CA C 100 61.080 59.339 1.741 1
1 1106 . 4 1 1 A 100 100 THR CB C 100 70.669 72.031 -1.362 1
1 1108 . 4 1 1 A 100 100 THR N N 100 121.816 121.715 0.101 1
1 1109 . 4 1 1 A 101 101 ASN H H 101 8.153 8.768 -0.615 1
1 1110 . 4 1 1 A 101 101 ASN HA H 101 4.518 4.578 -0.060 1
1 1115 . 4 1 1 A 101 101 ASN CA C 101 54.238 55.257 -1.019 1
1 1116 . 4 1 1 A 101 101 ASN CB C 101 38.470 37.648 0.822 1
1 1117 . 4 1 1 A 101 101 ASN N N 101 122.733 125.056 -2.323 1
1 1119 . 4 1 1 A 102 102 LEU H H 102 8.160 8.587 -0.427 1
1 1120 . 4 1 1 A 102 102 LEU HA H 102 4.245 4.596 -0.351 1
1 1130 . 4 1 1 A 102 102 LEU CA C 102 55.449 56.102 -0.653 1
1 1131 . 4 1 1 A 102 102 LEU CB C 102 42.549 44.980 -2.431 1
1 1135 . 4 1 1 A 102 102 LEU N N 102 122.544 123.036 -0.492 1
1 1136 . 4 1 1 A 103 103 ASN H H 103 8.405 7.866 0.539 1
1 1137 . 4 1 1 A 103 103 ASN HA H 103 4.867 4.901 -0.034 1
1 1142 . 4 1 1 A 103 103 ASN CA C 103 51.316 51.938 -0.622 1
1 1143 . 4 1 1 A 103 103 ASN CB C 103 39.049 37.331 1.718 1
1 1144 . 4 1 1 A 103 103 ASN N N 103 120.174 118.771 1.403 1
1 1146 . 4 1 1 A 104 104 PRO HA H 104 4.230 4.684 -0.454 1
1 1153 . 4 1 1 A 104 104 PRO CA C 104 63.559 62.381 1.178 1
1 1154 . 4 1 1 A 104 104 PRO CB C 104 32.102 33.058 -0.956 1
1 1157 . 4 1 1 A 105 105 ILE H H 105 7.886 8.580 -0.694 1
1 1158 . 4 1 1 A 105 105 ILE HA H 105 3.941 4.581 -0.640 1
1 1168 . 4 1 1 A 105 105 ILE CA C 105 61.348 59.697 1.651 1
1 1169 . 4 1 1 A 105 105 ILE CB C 105 38.569 42.274 -3.705 1
1 1173 . 4 1 1 A 105 105 ILE N N 105 119.390 120.961 -1.571 1
1 1174 . 4 1 1 A 106 106 TYR H H 106 7.961 8.468 -0.507 1
1 1175 . 4 1 1 A 106 106 TYR HA H 106 4.536 4.967 -0.431 1
1 1182 . 4 1 1 A 106 106 TYR CA C 106 57.370 56.958 0.412 1
1 1183 . 4 1 1 A 106 106 TYR CB C 106 38.889 39.221 -0.332 1
1 1184 . 4 1 1 A 106 106 TYR N N 106 123.172 122.038 1.134 1
1 1185 . 4 1 1 A 107 107 ALA H H 107 8.128 7.441 0.687 1
1 1186 . 4 1 1 A 107 107 ALA HA H 107 4.217 4.591 -0.374 1
1 1190 . 4 1 1 A 107 107 ALA CA C 107 52.724 52.151 0.573 1
1 1191 . 4 1 1 A 107 107 ALA CB C 107 19.133 19.410 -0.277 1
1 1192 . 4 1 1 A 107 107 ALA N N 107 125.520 120.333 5.187 1
1 1193 . 4 1 1 A 108 108 ASP H H 108 8.147 8.846 -0.699 1
1 1194 . 4 1 1 A 108 108 ASP HA H 108 4.511 4.857 -0.346 1
1 1197 . 4 1 1 A 108 108 ASP CA C 108 54.342 55.712 -1.370 1
1 1198 . 4 1 1 A 108 108 ASP CB C 108 41.240 42.563 -1.323 1
1 1199 . 4 1 1 A 108 108 ASP N N 108 119.219 122.808 -3.589 1
1 1200 . 4 1 1 A 109 109 GLY H H 109 8.313 8.110 0.203 1
1 1201 . 4 1 1 A 109 109 GLY HA2 H 109 3.946 3.926 0.020 1
1 1202 . 4 1 1 A 109 109 GLY HA3 H 109 3.848 3.938 -0.090 1
1 1203 . 4 1 1 A 109 109 GLY CA C 109 45.692 46.670 -0.978 1
1 1204 . 4 1 1 A 109 109 GLY N N 109 109.478 107.215 2.263 1
1 1205 . 4 1 1 A 110 110 SER H H 110 8.175 8.386 -0.211 1
1 1206 . 4 1 1 A 110 110 SER HA H 110 4.286 4.484 -0.198 1
1 1209 . 4 1 1 A 110 110 SER CA C 110 59.296 60.930 -1.634 1
1 1210 . 4 1 1 A 110 110 SER CB C 110 63.825 64.080 -0.255 1
1 1211 . 4 1 1 A 110 110 SER N N 110 115.660 117.058 -1.398 1
1 1212 . 4 1 1 A 111 111 HIS HA H 111 4.527 4.248 0.279 1
1 1215 . 4 1 1 A 111 111 HIS CA C 111 56.109 56.807 -0.698 1
1 1216 . 4 1 1 A 111 111 HIS CB C 111 30.580 28.134 2.446 1
1 1217 . 4 1 1 A 112 112 HIS HA H 112 4.535 4.543 -0.008 1
1 1220 . 4 1 1 A 112 112 HIS CA C 112 57.411 56.203 1.208 1
1 1221 . 4 1 1 A 112 112 HIS CB C 112 30.756 30.797 -0.041 1
1 2 . 5 1 1 A 2 2 VAL H H 2 8.613 7.415 1.198 1
1 3 . 5 1 1 A 2 2 VAL HA H 2 4.487 4.834 -0.347 1
1 11 . 5 1 1 A 2 2 VAL CA C 2 61.103 60.489 0.614 1
1 12 . 5 1 1 A 2 2 VAL CB C 2 35.731 35.972 -0.241 1
1 15 . 5 1 1 A 2 2 VAL N N 2 117.956 118.770 -0.814 1
1 16 . 5 1 1 A 3 3 ILE H H 3 8.439 8.924 -0.485 1
1 17 . 5 1 1 A 3 3 ILE HA H 3 4.498 4.795 -0.297 1
1 27 . 5 1 1 A 3 3 ILE CA C 3 60.172 59.527 0.645 1
1 28 . 5 1 1 A 3 3 ILE CB C 3 38.528 39.483 -0.955 1
1 32 . 5 1 1 A 3 3 ILE N N 3 125.643 126.234 -0.591 1
1 33 . 5 1 1 A 4 4 ILE H H 4 8.543 8.598 -0.055 1
1 34 . 5 1 1 A 4 4 ILE HA H 4 4.005 4.376 -0.371 1
1 44 . 5 1 1 A 4 4 ILE CA C 4 61.550 60.813 0.737 1
1 45 . 5 1 1 A 4 4 ILE CB C 4 38.038 37.081 0.957 1
1 49 . 5 1 1 A 4 4 ILE N N 4 127.460 128.638 -1.178 1
1 50 . 5 1 1 A 5 5 LYS H H 5 8.292 8.684 -0.392 1
1 51 . 5 1 1 A 5 5 LYS HA H 5 5.173 4.632 0.541 1
1 60 . 5 1 1 A 5 5 LYS CA C 5 53.276 52.824 0.452 1
1 61 . 5 1 1 A 5 5 LYS CB C 5 33.713 34.370 -0.657 1
1 65 . 5 1 1 A 5 5 LYS N N 5 126.677 126.694 -0.017 1
1 66 . 5 1 1 A 6 6 PRO HA H 6 4.383 4.640 -0.257 1
1 73 . 5 1 1 A 6 6 PRO CA C 6 62.444 62.743 -0.299 1
1 74 . 5 1 1 A 6 6 PRO CB C 6 32.018 32.091 -0.073 1
1 77 . 5 1 1 A 7 7 GLN H H 7 9.359 8.326 1.033 1
1 78 . 5 1 1 A 7 7 GLN HA H 7 4.406 4.294 0.112 1
1 85 . 5 1 1 A 7 7 GLN CA C 7 56.357 55.648 0.709 1
1 86 . 5 1 1 A 7 7 GLN CB C 7 28.784 28.203 0.581 1
1 88 . 5 1 1 A 7 7 GLN N N 7 119.975 118.346 1.629 1
1 90 . 5 1 1 A 8 8 VAL H H 8 7.032 7.403 -0.371 1
1 91 . 5 1 1 A 8 8 VAL HA H 8 4.486 4.783 -0.297 1
1 99 . 5 1 1 A 8 8 VAL CA C 8 58.874 59.085 -0.211 1
1 100 . 5 1 1 A 8 8 VAL CB C 8 35.169 35.929 -0.760 1
1 103 . 5 1 1 A 8 8 VAL N N 8 111.122 116.478 -5.356 1
1 104 . 5 1 1 A 9 9 SER H H 9 8.210 8.782 -0.572 1
1 105 . 5 1 1 A 9 9 SER HA H 9 4.957 4.742 0.215 1
1 108 . 5 1 1 A 9 9 SER CA C 9 56.585 57.859 -1.274 1
1 109 . 5 1 1 A 9 9 SER CB C 9 64.442 64.401 0.041 1
1 110 . 5 1 1 A 9 9 SER N N 9 115.043 119.699 -4.656 1
1 111 . 5 1 1 A 10 10 GLY H H 10 8.003 7.753 0.250 1
1 112 . 5 1 1 A 10 10 GLY HA2 H 10 4.412 4.281 0.131 1
1 113 . 5 1 1 A 10 10 GLY HA3 H 10 3.645 4.327 -0.682 1
1 114 . 5 1 1 A 10 10 GLY CA C 10 45.292 45.904 -0.612 1
1 115 . 5 1 1 A 10 10 GLY N N 10 108.708 110.640 -1.932 1
1 116 . 5 1 1 A 11 11 VAL H H 11 8.006 8.052 -0.046 1
1 117 . 5 1 1 A 11 11 VAL HA H 11 4.743 4.871 -0.128 1
1 125 . 5 1 1 A 11 11 VAL CA C 11 60.539 60.835 -0.296 1
1 126 . 5 1 1 A 11 11 VAL CB C 11 34.951 35.474 -0.523 1
1 129 . 5 1 1 A 11 11 VAL N N 11 118.308 120.668 -2.360 1
1 130 . 5 1 1 A 12 12 ILE H H 12 8.459 8.622 -0.163 1
1 131 . 5 1 1 A 12 12 ILE HA H 12 4.050 4.398 -0.348 1
1 141 . 5 1 1 A 12 12 ILE CA C 12 60.287 62.405 -2.118 1
1 142 . 5 1 1 A 12 12 ILE CB C 12 35.650 38.086 -2.436 1
1 146 . 5 1 1 A 12 12 ILE N N 12 125.265 126.447 -1.182 1
1 147 . 5 1 1 A 13 13 VAL H H 13 8.908 9.525 -0.617 1
1 148 . 5 1 1 A 13 13 VAL HA H 13 4.500 4.226 0.274 1
1 156 . 5 1 1 A 13 13 VAL CA C 13 62.126 63.365 -1.239 1
1 157 . 5 1 1 A 13 13 VAL CB C 13 33.291 33.441 -0.150 1
1 160 . 5 1 1 A 13 13 VAL N N 13 124.479 126.303 -1.824 1
1 161 . 5 1 1 A 14 14 ASN H H 14 7.653 7.644 0.009 1
1 162 . 5 1 1 A 14 14 ASN HA H 14 4.819 5.069 -0.250 1
1 167 . 5 1 1 A 14 14 ASN CA C 14 52.806 52.500 0.306 1
1 168 . 5 1 1 A 14 14 ASN CB C 14 41.978 42.059 -0.081 1
1 169 . 5 1 1 A 14 14 ASN N N 14 114.961 114.563 0.398 1
1 171 . 5 1 1 A 15 15 LYS H H 15 8.404 8.462 -0.058 1
1 172 . 5 1 1 A 15 15 LYS HA H 15 4.641 4.785 -0.144 1
1 179 . 5 1 1 A 15 15 LYS CA C 15 55.935 55.140 0.795 1
1 180 . 5 1 1 A 15 15 LYS CB C 15 35.274 33.638 1.636 1
1 183 . 5 1 1 A 15 15 LYS N N 15 123.768 120.326 3.442 1
1 184 . 5 1 1 A 16 16 LEU H H 16 8.020 8.814 -0.794 1
1 185 . 5 1 1 A 16 16 LEU HA H 16 4.611 4.414 0.197 1
1 195 . 5 1 1 A 16 16 LEU CA C 16 55.124 54.353 0.771 1
1 196 . 5 1 1 A 16 16 LEU CB C 16 41.308 39.801 1.507 1
1 200 . 5 1 1 A 16 16 LEU N N 16 126.162 126.367 -0.205 1
1 201 . 5 1 1 A 17 17 PHE H H 17 6.573 7.620 -1.047 1
1 202 . 5 1 1 A 17 17 PHE HA H 17 4.862 5.177 -0.315 1
1 207 . 5 1 1 A 17 17 PHE CA C 17 55.528 55.720 -0.192 1
1 208 . 5 1 1 A 17 17 PHE CB C 17 41.093 42.255 -1.162 1
1 209 . 5 1 1 A 17 17 PHE N N 17 113.628 116.608 -2.980 1
1 210 . 5 1 1 A 18 18 LYS H H 18 8.655 8.684 -0.029 1
1 211 . 5 1 1 A 18 18 LYS HA H 18 4.333 4.598 -0.265 1
1 220 . 5 1 1 A 18 18 LYS CA C 18 54.277 54.033 0.244 1
1 221 . 5 1 1 A 18 18 LYS CB C 18 35.134 36.261 -1.127 1
1 225 . 5 1 1 A 18 18 LYS N N 18 120.572 118.914 1.658 1
1 226 . 5 1 1 A 19 19 ALA H H 19 8.407 8.393 0.014 1
1 227 . 5 1 1 A 19 19 ALA HA H 19 3.962 4.844 -0.882 1
1 231 . 5 1 1 A 19 19 ALA CA C 19 53.980 52.918 1.062 1
1 232 . 5 1 1 A 19 19 ALA CB C 19 18.497 19.232 -0.735 1
1 233 . 5 1 1 A 19 19 ALA N N 19 123.842 124.155 -0.313 1
1 234 . 5 1 1 A 20 20 GLY H H 20 8.814 8.715 0.099 1
1 235 . 5 1 1 A 20 20 GLY HA2 H 20 4.313 3.829 0.484 1
1 236 . 5 1 1 A 20 20 GLY HA3 H 20 3.532 3.840 -0.308 1
1 237 . 5 1 1 A 20 20 GLY CA C 20 45.045 46.003 -0.958 1
1 238 . 5 1 1 A 20 20 GLY N N 20 112.434 111.003 1.431 1
1 239 . 5 1 1 A 21 21 ASP H H 21 7.933 7.952 -0.019 1
1 240 . 5 1 1 A 21 21 ASP HA H 21 4.499 4.976 -0.477 1
1 243 . 5 1 1 A 21 21 ASP CA C 21 55.383 52.691 2.692 1
1 244 . 5 1 1 A 21 21 ASP CB C 21 41.067 43.347 -2.280 1
1 245 . 5 1 1 A 21 21 ASP N N 21 121.505 120.541 0.964 1
1 246 . 5 1 1 A 22 22 LYS H H 22 8.311 8.579 -0.268 1
1 247 . 5 1 1 A 22 22 LYS HA H 22 4.871 5.181 -0.310 1
1 256 . 5 1 1 A 22 22 LYS CA C 22 55.659 55.406 0.253 1
1 257 . 5 1 1 A 22 22 LYS CB C 22 31.820 33.931 -2.111 1
1 261 . 5 1 1 A 22 22 LYS N N 22 120.225 120.515 -0.290 1
1 262 . 5 1 1 A 23 23 VAL H H 23 8.935 9.064 -0.129 1
1 263 . 5 1 1 A 23 23 VAL HA H 23 4.841 4.855 -0.014 1
1 271 . 5 1 1 A 23 23 VAL CA C 23 58.502 59.829 -1.327 1
1 272 . 5 1 1 A 23 23 VAL CB C 23 34.507 34.577 -0.070 1
1 275 . 5 1 1 A 23 23 VAL N N 23 117.700 124.380 -6.680 1
1 276 . 5 1 1 A 24 24 LYS H H 24 7.960 8.835 -0.875 1
1 277 . 5 1 1 A 24 24 LYS HA H 24 4.838 5.081 -0.243 1
1 286 . 5 1 1 A 24 24 LYS CA C 24 53.195 54.233 -1.038 1
1 287 . 5 1 1 A 24 24 LYS CB C 24 35.213 36.107 -0.894 1
1 291 . 5 1 1 A 24 24 LYS N N 24 121.958 126.240 -4.282 1
1 292 . 5 1 1 A 25 25 LYS H H 25 8.915 8.712 0.203 1
1 293 . 5 1 1 A 25 25 LYS HA H 25 3.156 3.875 -0.719 1
1 300 . 5 1 1 A 25 25 LYS CA C 25 58.648 58.534 0.114 1
1 301 . 5 1 1 A 25 25 LYS CB C 25 32.648 32.063 0.585 1
1 304 . 5 1 1 A 25 25 LYS N N 25 121.653 124.934 -3.281 1
1 305 . 5 1 1 A 26 26 GLY H H 26 8.900 8.720 0.180 1
1 306 . 5 1 1 A 26 26 GLY HA2 H 26 4.283 3.921 0.362 1
1 307 . 5 1 1 A 26 26 GLY HA3 H 26 3.471 3.931 -0.460 1
1 308 . 5 1 1 A 26 26 GLY CA C 26 45.263 45.385 -0.122 1
1 309 . 5 1 1 A 26 26 GLY N N 26 115.268 112.900 2.368 1
1 310 . 5 1 1 A 27 27 GLN H H 27 8.433 8.385 0.048 1
1 311 . 5 1 1 A 27 27 GLN HA H 27 4.141 4.411 -0.270 1
1 318 . 5 1 1 A 27 27 GLN CA C 27 56.324 55.455 0.869 1
1 319 . 5 1 1 A 27 27 GLN CB C 27 30.520 30.090 0.430 1
1 321 . 5 1 1 A 27 27 GLN N N 27 123.155 121.569 1.586 1
1 323 . 5 1 1 A 28 28 THR H H 28 9.110 8.846 0.264 1
1 324 . 5 1 1 A 28 28 THR HA H 28 3.893 4.228 -0.335 1
1 329 . 5 1 1 A 28 28 THR CA C 28 65.828 63.897 1.931 1
1 330 . 5 1 1 A 28 28 THR CB C 28 68.581 69.157 -0.576 1
1 332 . 5 1 1 A 28 28 THR N N 28 124.748 120.383 4.365 1
1 333 . 5 1 1 A 29 29 LEU H H 29 9.509 8.718 0.791 1
1 334 . 5 1 1 A 29 29 LEU HA H 29 4.383 4.854 -0.471 1
1 344 . 5 1 1 A 29 29 LEU CA C 29 55.795 55.795 0.000 1
1 345 . 5 1 1 A 29 29 LEU CB C 29 44.572 44.431 0.141 1
1 349 . 5 1 1 A 29 29 LEU N N 29 125.873 126.466 -0.593 1
1 350 . 5 1 1 A 30 30 PHE H H 30 7.579 7.904 -0.325 1
1 351 . 5 1 1 A 30 30 PHE HA H 30 5.367 5.308 0.059 1
1 359 . 5 1 1 A 30 30 PHE CA C 30 55.486 56.063 -0.577 1
1 360 . 5 1 1 A 30 30 PHE CB C 30 44.887 43.388 1.499 1
1 361 . 5 1 1 A 30 30 PHE N N 30 111.134 114.935 -3.801 1
1 362 . 5 1 1 A 31 31 ILE H H 31 7.858 8.687 -0.829 1
1 363 . 5 1 1 A 31 31 ILE HA H 31 4.817 4.831 -0.014 1
1 373 . 5 1 1 A 31 31 ILE CA C 31 60.063 60.304 -0.241 1
1 374 . 5 1 1 A 31 31 ILE CB C 31 39.395 42.010 -2.615 1
1 378 . 5 1 1 A 31 31 ILE N N 31 119.416 120.030 -0.614 1
1 379 . 5 1 1 A 32 32 ILE H H 32 9.107 8.685 0.422 1
1 380 . 5 1 1 A 32 32 ILE HA H 32 4.842 5.039 -0.197 1
1 390 . 5 1 1 A 32 32 ILE CA C 32 59.002 60.163 -1.161 1
1 391 . 5 1 1 A 32 32 ILE CB C 32 42.048 42.255 -0.207 1
1 395 . 5 1 1 A 32 32 ILE N N 32 127.892 125.808 2.084 1
1 396 . 5 1 1 A 33 33 GLU H H 33 9.095 8.692 0.403 1
1 397 . 5 1 1 A 33 33 GLU HA H 33 4.642 5.279 -0.637 1
1 402 . 5 1 1 A 33 33 GLU CA C 33 54.985 55.434 -0.449 1
1 403 . 5 1 1 A 33 33 GLU CB C 33 31.672 31.512 0.160 1
1 405 . 5 1 1 A 33 33 GLU N N 33 128.157 125.615 2.542 1
1 406 . 5 1 1 A 34 34 GLN H H 34 8.725 8.927 -0.202 1
1 407 . 5 1 1 A 34 34 GLN HA H 34 4.354 4.960 -0.606 1
1 414 . 5 1 1 A 34 34 GLN CA C 34 56.807 54.406 2.401 1
1 415 . 5 1 1 A 34 34 GLN CB C 34 30.119 31.672 -1.553 1
1 417 . 5 1 1 A 34 34 GLN N N 34 128.123 120.957 7.166 1
1 419 . 5 1 1 A 35 35 ASP H H 35 8.524 8.563 -0.039 1
1 420 . 5 1 1 A 35 35 ASP HA H 35 4.609 4.888 -0.279 1
1 423 . 5 1 1 A 35 35 ASP CA C 35 54.226 54.229 -0.003 1
1 424 . 5 1 1 A 35 35 ASP CB C 35 41.429 43.709 -2.280 1
1 425 . 5 1 1 A 35 35 ASP N N 35 122.485 119.353 3.132 1
1 426 . 5 1 1 A 36 36 GLN H H 36 8.576 8.171 0.405 1
1 427 . 5 1 1 A 36 36 GLN HA H 36 4.041 4.146 -0.105 1
1 434 . 5 1 1 A 36 36 GLN CA C 36 56.662 56.999 -0.337 1
1 435 . 5 1 1 A 36 36 GLN CB C 36 29.166 25.969 3.197 1
1 437 . 5 1 1 A 36 36 GLN N N 36 123.321 115.677 7.644 1
1 439 . 5 1 1 A 37 37 ALA H H 37 8.322 8.203 0.119 1
1 440 . 5 1 1 A 37 37 ALA HA H 37 4.232 4.422 -0.190 1
1 444 . 5 1 1 A 37 37 ALA CA C 37 53.231 51.279 1.952 1
1 445 . 5 1 1 A 37 37 ALA CB C 37 19.020 18.522 0.498 1
1 446 . 5 1 1 A 37 37 ALA N N 37 123.086 120.365 2.721 1
1 447 . 5 1 1 A 38 38 SER H H 38 7.919 8.103 -0.184 1
1 448 . 5 1 1 A 38 38 SER HA H 38 4.283 4.205 0.078 1
1 451 . 5 1 1 A 38 38 SER CA C 38 58.884 58.997 -0.113 1
1 452 . 5 1 1 A 38 38 SER CB C 38 63.835 61.381 2.454 1
1 453 . 5 1 1 A 38 38 SER N N 38 113.578 112.657 0.921 1
1 454 . 5 1 1 A 39 39 LYS H H 39 8.153 8.061 0.092 1
1 455 . 5 1 1 A 39 39 LYS HA H 39 4.140 4.095 0.045 1
1 463 . 5 1 1 A 39 39 LYS CA C 39 57.127 59.275 -2.148 1
1 464 . 5 1 1 A 39 39 LYS CB C 39 32.812 32.172 0.640 1
1 468 . 5 1 1 A 39 39 LYS N N 39 122.651 126.827 -4.176 1
1 469 . 5 1 1 A 40 40 ASP H H 40 8.100 8.045 0.055 1
1 470 . 5 1 1 A 40 40 ASP HA H 40 4.532 4.475 0.057 1
1 473 . 5 1 1 A 40 40 ASP CA C 40 54.376 56.407 -2.031 1
1 474 . 5 1 1 A 40 40 ASP CB C 40 41.245 40.718 0.527 1
1 475 . 5 1 1 A 40 40 ASP N N 40 119.441 119.717 -0.276 1
1 476 . 5 1 1 A 41 41 PHE H H 41 7.924 8.558 -0.634 1
1 477 . 5 1 1 A 41 41 PHE HA H 41 4.384 4.595 -0.211 1
1 484 . 5 1 1 A 41 41 PHE CA C 41 58.704 59.764 -1.060 1
1 485 . 5 1 1 A 41 41 PHE CB C 41 39.397 40.070 -0.673 1
1 486 . 5 1 1 A 41 41 PHE N N 41 121.124 120.152 0.972 1
1 487 . 5 1 1 A 42 42 ASN H H 42 8.311 7.823 0.488 1
1 488 . 5 1 1 A 42 42 ASN HA H 42 4.523 4.960 -0.437 1
1 492 . 5 1 1 A 42 42 ASN CA C 42 53.133 53.113 0.020 1
1 493 . 5 1 1 A 42 42 ASN CB C 42 38.801 41.887 -3.086 1
1 494 . 5 1 1 A 42 42 ASN N N 42 120.181 115.429 4.752 1
1 496 . 5 1 1 A 43 43 ARG H H 43 8.133 8.802 -0.669 1
1 497 . 5 1 1 A 43 43 ARG HA H 43 4.115 4.476 -0.361 1
1 504 . 5 1 1 A 43 43 ARG CA C 43 57.051 57.500 -0.449 1
1 505 . 5 1 1 A 43 43 ARG CB C 43 30.514 32.453 -1.939 1
1 508 . 5 1 1 A 43 43 ARG N N 43 121.727 125.683 -3.956 1
1 509 . 5 1 1 A 44 44 SER H H 44 8.174 8.092 0.082 1
1 510 . 5 1 1 A 44 44 SER HA H 44 4.286 4.361 -0.075 1
1 513 . 5 1 1 A 44 44 SER CA C 44 59.344 59.593 -0.249 1
1 514 . 5 1 1 A 44 44 SER CB C 44 63.357 62.917 0.440 1
1 515 . 5 1 1 A 44 44 SER N N 44 115.718 114.019 1.699 1
1 516 . 5 1 1 A 45 45 LYS H H 45 7.963 8.791 -0.828 1
1 517 . 5 1 1 A 45 45 LYS HA H 45 4.123 3.963 0.160 1
1 526 . 5 1 1 A 45 45 LYS CA C 45 56.866 59.209 -2.343 1
1 527 . 5 1 1 A 45 45 LYS CB C 45 32.777 32.316 0.461 1
1 530 . 5 1 1 A 45 45 LYS N N 45 122.326 124.895 -2.569 1
1 531 . 5 1 1 A 46 46 ALA H H 46 7.965 7.762 0.203 1
1 532 . 5 1 1 A 46 46 ALA HA H 46 4.165 4.517 -0.352 1
1 536 . 5 1 1 A 46 46 ALA CA C 46 52.999 51.490 1.509 1
1 537 . 5 1 1 A 46 46 ALA CB C 46 18.944 19.681 -0.737 1
1 538 . 5 1 1 A 46 46 ALA N N 46 123.536 117.238 6.298 1
1 539 . 5 1 1 A 47 47 LEU H H 47 7.898 8.021 -0.123 1
1 540 . 5 1 1 A 47 47 LEU HA H 47 4.158 4.352 -0.194 1
1 550 . 5 1 1 A 47 47 LEU CA C 47 55.583 56.985 -1.402 1
1 551 . 5 1 1 A 47 47 LEU CB C 47 42.404 40.851 1.553 1
1 555 . 5 1 1 A 47 47 LEU N N 47 119.914 115.852 4.062 1
1 556 . 5 1 1 A 48 48 PHE H H 48 7.981 8.294 -0.313 1
1 557 . 5 1 1 A 48 48 PHE HA H 48 4.539 5.587 -1.048 1
1 564 . 5 1 1 A 48 48 PHE CA C 48 58.033 55.203 2.830 1
1 565 . 5 1 1 A 48 48 PHE CB C 48 39.470 41.894 -2.424 1
1 566 . 5 1 1 A 48 48 PHE N N 48 119.602 117.605 1.997 1
1 567 . 5 1 1 A 49 49 SER H H 49 8.028 8.712 -0.684 1
1 568 . 5 1 1 A 49 49 SER HA H 49 4.332 4.746 -0.414 1
1 571 . 5 1 1 A 49 49 SER CA C 49 58.581 56.350 2.231 1
1 572 . 5 1 1 A 49 49 SER CB C 49 63.866 65.359 -1.493 1
1 573 . 5 1 1 A 49 49 SER N N 49 116.270 113.904 2.366 1
1 574 . 5 1 1 A 50 50 GLN H H 50 8.266 8.796 -0.530 1
1 575 . 5 1 1 A 50 50 GLN HA H 50 4.257 4.150 0.107 1
1 582 . 5 1 1 A 50 50 GLN CA C 50 56.435 58.341 -1.906 1
1 583 . 5 1 1 A 50 50 GLN CB C 50 29.204 28.192 1.012 1
1 585 . 5 1 1 A 50 50 GLN N N 50 121.931 122.714 -0.783 1
1 587 . 5 1 1 A 51 51 SER H H 51 8.147 7.787 0.360 1
1 588 . 5 1 1 A 51 51 SER HA H 51 4.338 4.795 -0.457 1
1 591 . 5 1 1 A 51 51 SER CA C 51 58.645 56.936 1.709 1
1 592 . 5 1 1 A 51 51 SER CB C 51 63.784 63.074 0.710 1
1 593 . 5 1 1 A 51 51 SER N N 51 115.676 112.194 3.482 1
1 594 . 5 1 1 A 52 52 ALA H H 52 8.175 8.287 -0.112 1
1 595 . 5 1 1 A 52 52 ALA HA H 52 4.265 4.037 0.228 1
1 599 . 5 1 1 A 52 52 ALA CA C 52 53.031 55.388 -2.357 1
1 600 . 5 1 1 A 52 52 ALA CB C 52 18.941 19.223 -0.282 1
1 601 . 5 1 1 A 52 52 ALA N N 52 125.360 124.937 0.423 1
1 602 . 5 1 1 A 53 53 ILE H H 53 7.870 7.638 0.232 1
1 603 . 5 1 1 A 53 53 ILE HA H 53 4.099 4.512 -0.413 1
1 613 . 5 1 1 A 53 53 ILE CA C 53 61.558 59.046 2.512 1
1 614 . 5 1 1 A 53 53 ILE CB C 53 38.851 40.937 -2.086 1
1 618 . 5 1 1 A 53 53 ILE N N 53 118.231 113.873 4.358 1
1 619 . 5 1 1 A 54 54 SER H H 54 8.159 8.459 -0.300 1
1 620 . 5 1 1 A 54 54 SER HA H 54 4.384 4.409 -0.025 1
1 623 . 5 1 1 A 54 54 SER CA C 54 58.551 59.670 -1.119 1
1 624 . 5 1 1 A 54 54 SER CB C 54 63.964 63.951 0.013 1
1 625 . 5 1 1 A 54 54 SER N N 54 118.588 121.995 -3.407 1
1 626 . 5 1 1 A 55 55 GLN H H 55 8.301 8.975 -0.674 1
1 627 . 5 1 1 A 55 55 GLN HA H 55 4.214 4.548 -0.334 1
1 634 . 5 1 1 A 55 55 GLN CA C 55 56.547 56.419 0.128 1
1 635 . 5 1 1 A 55 55 GLN CB C 55 29.292 29.072 0.220 1
1 637 . 5 1 1 A 55 55 GLN N N 55 122.173 122.186 -0.013 1
1 639 . 5 1 1 A 56 56 LYS H H 56 8.163 7.628 0.535 1
1 640 . 5 1 1 A 56 56 LYS HA H 56 4.177 4.440 -0.263 1
1 647 . 5 1 1 A 56 56 LYS CA C 56 56.978 55.379 1.599 1
1 648 . 5 1 1 A 56 56 LYS CB C 56 32.855 32.099 0.756 1
1 651 . 5 1 1 A 56 56 LYS N N 56 121.126 120.354 0.772 1
1 652 . 5 1 1 A 57 57 GLU H H 57 8.211 9.019 -0.808 1
1 653 . 5 1 1 A 57 57 GLU HA H 57 4.151 3.839 0.312 1
1 658 . 5 1 1 A 57 57 GLU CA C 57 57.058 57.546 -0.488 1
1 659 . 5 1 1 A 57 57 GLU CB C 57 30.211 27.674 2.537 1
1 661 . 5 1 1 A 57 57 GLU N N 57 120.615 120.741 -0.126 1
1 662 . 5 1 1 A 58 58 TYR H H 58 8.070 7.831 0.239 1
1 663 . 5 1 1 A 58 58 TYR HA H 58 4.375 5.203 -0.828 1
1 670 . 5 1 1 A 58 58 TYR CA C 58 58.570 56.648 1.922 1
1 671 . 5 1 1 A 58 58 TYR CB C 58 38.962 41.406 -2.444 1
1 672 . 5 1 1 A 58 58 TYR N N 58 120.822 119.232 1.590 1
1 673 . 5 1 1 A 59 59 ASP H H 59 8.146 8.729 -0.583 1
1 674 . 5 1 1 A 59 59 ASP HA H 59 4.492 5.150 -0.658 1
1 677 . 5 1 1 A 59 59 ASP CA C 59 54.396 52.309 2.087 1
1 678 . 5 1 1 A 59 59 ASP CB C 59 41.086 44.083 -2.997 1
1 679 . 5 1 1 A 59 59 ASP N N 59 122.551 125.284 -2.733 1
1 680 . 5 1 1 A 60 60 SER H H 60 8.253 8.612 -0.359 1
1 681 . 5 1 1 A 60 60 SER HA H 60 4.260 4.351 -0.091 1
1 684 . 5 1 1 A 60 60 SER CA C 60 59.533 59.976 -0.443 1
1 685 . 5 1 1 A 60 60 SER CB C 60 63.422 63.600 -0.178 1
1 686 . 5 1 1 A 60 60 SER N N 60 117.657 115.269 2.388 1
1 687 . 5 1 1 A 61 61 SER H H 61 8.344 8.304 0.040 1
1 688 . 5 1 1 A 61 61 SER HA H 61 4.307 4.281 0.026 1
1 691 . 5 1 1 A 61 61 SER CA C 61 59.755 62.038 -2.283 1
1 692 . 5 1 1 A 61 61 SER CB C 61 63.582 62.526 1.056 1
1 693 . 5 1 1 A 61 61 SER N N 61 118.129 117.313 0.816 1
1 694 . 5 1 1 A 62 62 LEU H H 62 7.759 7.683 0.076 1
1 695 . 5 1 1 A 62 62 LEU HA H 62 4.234 4.294 -0.060 1
1 705 . 5 1 1 A 62 62 LEU CA C 62 55.464 56.672 -1.208 1
1 706 . 5 1 1 A 62 62 LEU CB C 62 42.238 42.154 0.084 1
1 710 . 5 1 1 A 62 62 LEU N N 62 122.627 117.739 4.888 1
1 711 . 5 1 1 A 63 63 ALA H H 63 7.919 7.606 0.313 1
1 712 . 5 1 1 A 63 63 ALA HA H 63 4.276 4.638 -0.362 1
1 716 . 5 1 1 A 63 63 ALA CA C 63 52.922 50.746 2.176 1
1 717 . 5 1 1 A 63 63 ALA CB C 63 19.221 19.312 -0.091 1
1 718 . 5 1 1 A 63 63 ALA N N 63 123.444 121.684 1.760 1
1 719 . 5 1 1 A 64 64 THR H H 64 7.890 8.463 -0.573 1
1 720 . 5 1 1 A 64 64 THR HA H 64 4.217 4.826 -0.609 1
1 725 . 5 1 1 A 64 64 THR CA C 64 61.787 60.507 1.280 1
1 726 . 5 1 1 A 64 64 THR CB C 64 69.719 72.448 -2.729 1
1 728 . 5 1 1 A 64 64 THR N N 64 112.279 117.138 -4.859 1
1 729 . 5 1 1 A 65 65 LEU H H 65 8.009 8.415 -0.406 1
1 730 . 5 1 1 A 65 65 LEU HA H 65 4.295 4.919 -0.624 1
1 740 . 5 1 1 A 65 65 LEU CA C 65 55.345 53.839 1.506 1
1 741 . 5 1 1 A 65 65 LEU CB C 65 42.412 41.846 0.566 1
1 745 . 5 1 1 A 65 65 LEU N N 65 123.586 118.396 5.190 1
1 746 . 5 1 1 A 66 66 ASP H H 66 8.288 8.411 -0.123 1
1 747 . 5 1 1 A 66 66 ASP HA H 66 4.564 4.314 0.250 1
1 750 . 5 1 1 A 66 66 ASP CA C 66 54.676 54.916 -0.240 1
1 751 . 5 1 1 A 66 66 ASP CB C 66 41.376 41.459 -0.083 1
1 752 . 5 1 1 A 66 66 ASP N N 66 120.344 125.103 -4.759 1
1 753 . 5 1 1 A 67 67 HIS H H 67 8.058 8.762 -0.704 1
1 754 . 5 1 1 A 67 67 HIS HA H 67 5.247 5.020 0.227 1
1 758 . 5 1 1 A 67 67 HIS CA C 67 55.260 55.178 0.082 1
1 759 . 5 1 1 A 67 67 HIS CB C 67 31.974 33.754 -1.780 1
1 760 . 5 1 1 A 67 67 HIS N N 67 119.406 117.475 1.931 1
1 761 . 5 1 1 A 68 68 THR H H 68 8.919 9.386 -0.467 1
1 762 . 5 1 1 A 68 68 THR HA H 68 4.484 4.708 -0.224 1
1 767 . 5 1 1 A 68 68 THR CA C 68 62.542 61.770 0.772 1
1 768 . 5 1 1 A 68 68 THR CB C 68 71.067 69.436 1.631 1
1 770 . 5 1 1 A 68 68 THR N N 68 117.233 117.055 0.178 1
1 771 . 5 1 1 A 69 69 GLU H H 69 8.649 8.840 -0.191 1
1 772 . 5 1 1 A 69 69 GLU HA H 69 4.703 4.599 0.104 1
1 777 . 5 1 1 A 69 69 GLU CA C 69 55.886 56.715 -0.829 1
1 778 . 5 1 1 A 69 69 GLU CB C 69 31.746 30.184 1.562 1
1 780 . 5 1 1 A 69 69 GLU N N 69 124.187 126.463 -2.276 1
1 781 . 5 1 1 A 70 70 ILE H H 70 8.601 9.151 -0.550 1
1 782 . 5 1 1 A 70 70 ILE HA H 70 4.405 4.397 0.008 1
1 792 . 5 1 1 A 70 70 ILE CA C 70 59.234 61.035 -1.801 1
1 793 . 5 1 1 A 70 70 ILE CB C 70 37.318 37.289 0.029 1
1 797 . 5 1 1 A 70 70 ILE N N 70 123.482 126.321 -2.839 1
1 798 . 5 1 1 A 71 71 LYS H H 71 8.926 8.446 0.480 1
1 799 . 5 1 1 A 71 71 LYS HA H 71 5.078 4.996 0.082 1
1 806 . 5 1 1 A 71 71 LYS CA C 71 54.584 55.587 -1.003 1
1 807 . 5 1 1 A 71 71 LYS CB C 71 36.281 33.736 2.545 1
1 810 . 5 1 1 A 71 71 LYS N N 71 128.267 126.369 1.898 1
1 811 . 5 1 1 A 72 72 ALA H H 72 8.633 8.689 -0.056 1
1 812 . 5 1 1 A 72 72 ALA HA H 72 4.067 4.412 -0.345 1
1 816 . 5 1 1 A 72 72 ALA CA C 72 49.967 50.619 -0.652 1
1 817 . 5 1 1 A 72 72 ALA CB C 72 17.255 17.754 -0.499 1
1 818 . 5 1 1 A 72 72 ALA N N 72 123.088 123.717 -0.629 1
1 819 . 5 1 1 A 73 73 PRO HA H 73 4.333 4.397 -0.064 1
1 826 . 5 1 1 A 73 73 PRO CA C 73 63.716 64.534 -0.818 1
1 827 . 5 1 1 A 73 73 PRO CB C 73 31.915 32.100 -0.185 1
1 830 . 5 1 1 A 74 74 PHE H H 74 6.768 6.799 -0.031 1
1 831 . 5 1 1 A 74 74 PHE HA H 74 4.421 4.987 -0.566 1
1 838 . 5 1 1 A 74 74 PHE CA C 74 54.396 56.045 -1.649 1
1 839 . 5 1 1 A 74 74 PHE CB C 74 40.697 40.712 -0.015 1
1 840 . 5 1 1 A 74 74 PHE N N 74 112.022 112.370 -0.348 1
1 841 . 5 1 1 A 75 75 ASP H H 75 8.583 8.836 -0.253 1
1 842 . 5 1 1 A 75 75 ASP HA H 75 4.922 4.818 0.104 1
1 845 . 5 1 1 A 75 75 ASP CA C 75 53.873 53.890 -0.017 1
1 846 . 5 1 1 A 75 75 ASP CB C 75 40.839 41.901 -1.062 1
1 847 . 5 1 1 A 75 75 ASP N N 75 118.252 119.301 -1.049 1
1 848 . 5 1 1 A 76 76 GLY H H 76 8.348 8.293 0.055 1
1 849 . 5 1 1 A 76 76 GLY HA2 H 76 4.236 4.262 -0.026 1
1 850 . 5 1 1 A 76 76 GLY HA3 H 76 4.075 4.306 -0.231 1
1 851 . 5 1 1 A 76 76 GLY CA C 76 46.639 44.837 1.802 1
1 852 . 5 1 1 A 76 76 GLY N N 76 108.729 106.672 2.057 1
1 853 . 5 1 1 A 77 77 THR H H 77 8.623 8.136 0.487 1
1 854 . 5 1 1 A 77 77 THR HA H 77 4.975 5.060 -0.085 1
1 859 . 5 1 1 A 77 77 THR CA C 77 61.752 62.155 -0.403 1
1 860 . 5 1 1 A 77 77 THR CB C 77 70.121 70.750 -0.629 1
1 862 . 5 1 1 A 77 77 THR N N 77 116.400 116.405 -0.005 1
1 863 . 5 1 1 A 78 78 ILE H H 78 8.824 8.725 0.099 1
1 864 . 5 1 1 A 78 78 ILE HA H 78 4.673 4.880 -0.207 1
1 874 . 5 1 1 A 78 78 ILE CA C 78 60.164 59.650 0.514 1
1 875 . 5 1 1 A 78 78 ILE CB C 78 42.973 40.634 2.339 1
1 879 . 5 1 1 A 78 78 ILE N N 78 129.310 128.664 0.646 1
1 880 . 5 1 1 A 79 79 GLY H H 79 8.060 8.555 -0.495 1
1 881 . 5 1 1 A 79 79 GLY HA2 H 79 4.404 4.117 0.287 1
1 882 . 5 1 1 A 79 79 GLY HA3 H 79 3.775 4.136 -0.361 1
1 883 . 5 1 1 A 79 79 GLY CA C 79 44.149 44.579 -0.430 1
1 884 . 5 1 1 A 79 79 GLY N N 79 114.539 115.976 -1.437 1
1 885 . 5 1 1 A 80 80 ASP H H 80 7.804 8.532 -0.728 1
1 886 . 5 1 1 A 80 80 ASP HA H 80 4.703 5.335 -0.632 1
1 889 . 5 1 1 A 80 80 ASP CA C 80 53.703 51.828 1.875 1
1 890 . 5 1 1 A 80 80 ASP CB C 80 41.918 42.107 -0.189 1
1 891 . 5 1 1 A 80 80 ASP N N 80 113.688 119.149 -5.461 1
1 892 . 5 1 1 A 81 81 ALA H H 81 8.566 8.754 -0.188 1
1 893 . 5 1 1 A 81 81 ALA HA H 81 4.571 5.011 -0.440 1
1 897 . 5 1 1 A 81 81 ALA CA C 81 53.312 51.858 1.454 1
1 898 . 5 1 1 A 81 81 ALA CB C 81 20.381 20.310 0.071 1
1 899 . 5 1 1 A 81 81 ALA N N 81 124.136 123.660 0.476 1
1 900 . 5 1 1 A 82 82 LEU H H 82 8.747 8.927 -0.180 1
1 901 . 5 1 1 A 82 82 LEU HA H 82 4.345 4.495 -0.150 1
1 910 . 5 1 1 A 82 82 LEU CA C 82 55.210 55.950 -0.740 1
1 911 . 5 1 1 A 82 82 LEU CB C 82 41.457 43.054 -1.597 1
1 914 . 5 1 1 A 82 82 LEU N N 82 121.773 121.731 0.042 1
1 915 . 5 1 1 A 83 83 VAL H H 83 7.141 7.551 -0.410 1
1 916 . 5 1 1 A 83 83 VAL HA H 83 4.496 4.716 -0.220 1
1 924 . 5 1 1 A 83 83 VAL CA C 83 58.502 59.881 -1.379 1
1 925 . 5 1 1 A 83 83 VAL CB C 83 35.229 34.425 0.804 1
1 928 . 5 1 1 A 83 83 VAL N N 83 108.169 114.474 -6.305 1
1 929 . 5 1 1 A 84 84 ASN H H 84 9.076 8.886 0.190 1
1 930 . 5 1 1 A 84 84 ASN HA H 84 4.887 5.250 -0.363 1
1 935 . 5 1 1 A 84 84 ASN CA C 84 51.248 51.891 -0.643 1
1 936 . 5 1 1 A 84 84 ASN CB C 84 41.989 41.388 0.601 1
1 937 . 5 1 1 A 84 84 ASN N N 84 119.502 118.661 0.841 1
1 939 . 5 1 1 A 85 85 ILE H H 85 8.404 8.427 -0.023 1
1 940 . 5 1 1 A 85 85 ILE HA H 85 3.393 4.187 -0.794 1
1 950 . 5 1 1 A 85 85 ILE CA C 85 63.873 62.322 1.551 1
1 951 . 5 1 1 A 85 85 ILE CB C 85 37.146 38.662 -1.516 1
1 955 . 5 1 1 A 85 85 ILE N N 85 119.409 120.793 -1.384 1
1 956 . 5 1 1 A 86 86 GLY H H 86 9.239 8.667 0.572 1
1 957 . 5 1 1 A 86 86 GLY HA2 H 86 4.401 3.913 0.488 1
1 958 . 5 1 1 A 86 86 GLY HA3 H 86 3.411 3.918 -0.507 1
1 959 . 5 1 1 A 86 86 GLY CA C 86 44.869 45.739 -0.870 1
1 960 . 5 1 1 A 86 86 GLY N N 86 117.321 115.669 1.652 1
1 961 . 5 1 1 A 87 87 ASP H H 87 7.968 8.100 -0.132 1
1 962 . 5 1 1 A 87 87 ASP HA H 87 4.607 4.999 -0.392 1
1 965 . 5 1 1 A 87 87 ASP CA C 87 54.886 53.440 1.446 1
1 966 . 5 1 1 A 87 87 ASP CB C 87 40.771 42.207 -1.436 1
1 967 . 5 1 1 A 87 87 ASP N N 87 121.490 120.726 0.764 1
1 968 . 5 1 1 A 88 88 TYR H H 88 8.566 8.943 -0.377 1
1 969 . 5 1 1 A 88 88 TYR HA H 88 4.712 4.892 -0.180 1
1 976 . 5 1 1 A 88 88 TYR CA C 88 57.826 59.745 -1.919 1
1 977 . 5 1 1 A 88 88 TYR CB C 88 39.243 39.076 0.167 1
1 978 . 5 1 1 A 88 88 TYR N N 88 122.340 126.762 -4.422 1
1 979 . 5 1 1 A 89 89 VAL H H 89 8.951 8.682 0.269 1
1 980 . 5 1 1 A 89 89 VAL HA H 89 4.578 4.755 -0.177 1
1 988 . 5 1 1 A 89 89 VAL CA C 89 58.339 59.419 -1.080 1
1 989 . 5 1 1 A 89 89 VAL CB C 89 34.321 34.055 0.266 1
1 992 . 5 1 1 A 89 89 VAL N N 89 121.914 122.343 -0.429 1
1 993 . 5 1 1 A 90 90 SER H H 90 8.777 9.030 -0.253 1
1 994 . 5 1 1 A 90 90 SER HA H 90 4.750 4.661 0.089 1
1 997 . 5 1 1 A 90 90 SER CA C 90 56.895 57.107 -0.212 1
1 998 . 5 1 1 A 90 90 SER CB C 90 64.866 64.251 0.615 1
1 999 . 5 1 1 A 90 90 SER N N 90 114.813 119.464 -4.651 1
1 1000 . 5 1 1 A 91 91 ALA H H 91 8.712 8.316 0.396 1
1 1001 . 5 1 1 A 91 91 ALA HA H 91 3.515 3.846 -0.331 1
1 1005 . 5 1 1 A 91 91 ALA CA C 91 53.317 54.010 -0.693 1
1 1006 . 5 1 1 A 91 91 ALA CB C 91 18.678 17.749 0.929 1
1 1007 . 5 1 1 A 91 91 ALA N N 91 129.870 126.938 2.932 1
1 1008 . 5 1 1 A 92 92 SER H H 92 9.170 8.922 0.248 1
1 1009 . 5 1 1 A 92 92 SER HA H 92 3.817 4.308 -0.491 1
1 1012 . 5 1 1 A 92 92 SER CA C 92 60.652 61.353 -0.701 1
1 1013 . 5 1 1 A 92 92 SER CB C 92 62.505 62.881 -0.376 1
1 1014 . 5 1 1 A 92 92 SER N N 92 113.294 114.650 -1.356 1
1 1015 . 5 1 1 A 93 93 THR H H 93 7.816 7.348 0.468 1
1 1016 . 5 1 1 A 93 93 THR HA H 93 4.402 4.091 0.311 1
1 1021 . 5 1 1 A 93 93 THR CA C 93 64.378 66.227 -1.849 1
1 1022 . 5 1 1 A 93 93 THR CB C 93 70.948 68.646 2.302 1
1 1024 . 5 1 1 A 93 93 THR N N 93 113.858 115.058 -1.200 1
1 1025 . 5 1 1 A 94 94 THR H H 94 7.702 7.636 0.066 1
1 1026 . 5 1 1 A 94 94 THR HA H 94 3.910 4.311 -0.401 1
1 1031 . 5 1 1 A 94 94 THR CA C 94 65.140 62.381 2.759 1
1 1032 . 5 1 1 A 94 94 THR CB C 94 70.001 68.257 1.744 1
1 1034 . 5 1 1 A 94 94 THR N N 94 119.588 114.305 5.283 1
1 1035 . 5 1 1 A 95 95 GLU H H 95 8.407 8.486 -0.079 1
1 1036 . 5 1 1 A 95 95 GLU HA H 95 3.801 4.649 -0.848 1
1 1041 . 5 1 1 A 95 95 GLU CA C 95 56.613 55.439 1.174 1
1 1042 . 5 1 1 A 95 95 GLU CB C 95 29.600 30.476 -0.876 1
1 1044 . 5 1 1 A 95 95 GLU N N 95 124.764 127.244 -2.480 1
1 1045 . 5 1 1 A 96 96 LEU H H 96 8.750 8.592 0.158 1
1 1046 . 5 1 1 A 96 96 LEU HA H 96 4.260 4.500 -0.240 1
1 1056 . 5 1 1 A 96 96 LEU CA C 96 56.927 54.730 2.197 1
1 1057 . 5 1 1 A 96 96 LEU CB C 96 43.310 42.626 0.684 1
1 1061 . 5 1 1 A 96 96 LEU N N 96 120.035 120.687 -0.652 1
1 1062 . 5 1 1 A 97 97 VAL H H 97 7.053 7.372 -0.319 1
1 1063 . 5 1 1 A 97 97 VAL HA H 97 4.345 4.410 -0.065 1
1 1071 . 5 1 1 A 97 97 VAL CA C 97 61.291 60.196 1.095 1
1 1072 . 5 1 1 A 97 97 VAL CB C 97 31.577 34.555 -2.978 1
1 1075 . 5 1 1 A 97 97 VAL N N 97 112.365 117.371 -5.006 1
1 1076 . 5 1 1 A 98 98 ARG H H 98 8.980 8.671 0.309 1
1 1077 . 5 1 1 A 98 98 ARG HA H 98 5.267 4.957 0.310 1
1 1084 . 5 1 1 A 98 98 ARG CA C 98 55.195 54.060 1.135 1
1 1085 . 5 1 1 A 98 98 ARG CB C 98 32.818 33.994 -1.176 1
1 1088 . 5 1 1 A 98 98 ARG N N 98 127.477 123.834 3.643 1
1 1089 . 5 1 1 A 99 99 VAL H H 99 8.887 9.261 -0.374 1
1 1090 . 5 1 1 A 99 99 VAL HA H 99 4.556 5.033 -0.477 1
1 1095 . 5 1 1 A 99 99 VAL CA C 99 60.968 59.798 1.170 1
1 1096 . 5 1 1 A 99 99 VAL CB C 99 34.186 34.122 0.064 1
1 1098 . 5 1 1 A 99 99 VAL N N 99 122.826 121.247 1.579 1
1 1099 . 5 1 1 A 100 100 THR H H 100 8.833 8.651 0.182 1
1 1100 . 5 1 1 A 100 100 THR HA H 100 4.559 5.030 -0.471 1
1 1105 . 5 1 1 A 100 100 THR CA C 100 61.080 59.598 1.482 1
1 1106 . 5 1 1 A 100 100 THR CB C 100 70.669 71.991 -1.322 1
1 1108 . 5 1 1 A 100 100 THR N N 100 121.816 121.703 0.113 1
1 1109 . 5 1 1 A 101 101 ASN H H 101 8.153 8.841 -0.688 1
1 1110 . 5 1 1 A 101 101 ASN HA H 101 4.518 4.583 -0.065 1
1 1115 . 5 1 1 A 101 101 ASN CA C 101 54.238 55.375 -1.137 1
1 1116 . 5 1 1 A 101 101 ASN CB C 101 38.470 37.643 0.827 1
1 1117 . 5 1 1 A 101 101 ASN N N 101 122.733 125.601 -2.868 1
1 1119 . 5 1 1 A 102 102 LEU H H 102 8.160 8.682 -0.522 1
1 1120 . 5 1 1 A 102 102 LEU HA H 102 4.245 4.576 -0.331 1
1 1130 . 5 1 1 A 102 102 LEU CA C 102 55.449 56.452 -1.003 1
1 1131 . 5 1 1 A 102 102 LEU CB C 102 42.549 43.961 -1.412 1
1 1135 . 5 1 1 A 102 102 LEU N N 102 122.544 121.766 0.778 1
1 1136 . 5 1 1 A 103 103 ASN H H 103 8.405 7.728 0.677 1
1 1137 . 5 1 1 A 103 103 ASN HA H 103 4.867 4.915 -0.048 1
1 1142 . 5 1 1 A 103 103 ASN CA C 103 51.316 51.780 -0.464 1
1 1143 . 5 1 1 A 103 103 ASN CB C 103 39.049 37.767 1.282 1
1 1144 . 5 1 1 A 103 103 ASN N N 103 120.174 115.633 4.541 1
1 1146 . 5 1 1 A 104 104 PRO HA H 104 4.230 4.837 -0.607 1
1 1153 . 5 1 1 A 104 104 PRO CA C 104 63.559 62.683 0.876 1
1 1154 . 5 1 1 A 104 104 PRO CB C 104 32.102 30.706 1.396 1
1 1157 . 5 1 1 A 105 105 ILE H H 105 7.886 8.303 -0.417 1
1 1158 . 5 1 1 A 105 105 ILE HA H 105 3.941 4.708 -0.767 1
1 1168 . 5 1 1 A 105 105 ILE CA C 105 61.348 59.834 1.514 1
1 1169 . 5 1 1 A 105 105 ILE CB C 105 38.569 40.045 -1.476 1
1 1173 . 5 1 1 A 105 105 ILE N N 105 119.390 124.478 -5.088 1
1 1174 . 5 1 1 A 106 106 TYR H H 106 7.961 8.385 -0.424 1
1 1175 . 5 1 1 A 106 106 TYR HA H 106 4.536 4.954 -0.418 1
1 1182 . 5 1 1 A 106 106 TYR CA C 106 57.370 56.304 1.066 1
1 1183 . 5 1 1 A 106 106 TYR CB C 106 38.889 38.128 0.761 1
1 1184 . 5 1 1 A 106 106 TYR N N 106 123.172 121.945 1.227 1
1 1185 . 5 1 1 A 107 107 ALA H H 107 8.128 8.041 0.087 1
1 1186 . 5 1 1 A 107 107 ALA HA H 107 4.217 4.833 -0.616 1
1 1190 . 5 1 1 A 107 107 ALA CA C 107 52.724 51.684 1.040 1
1 1191 . 5 1 1 A 107 107 ALA CB C 107 19.133 19.817 -0.684 1
1 1192 . 5 1 1 A 107 107 ALA N N 107 125.520 123.384 2.136 1
1 1193 . 5 1 1 A 108 108 ASP H H 108 8.147 8.905 -0.758 1
1 1194 . 5 1 1 A 108 108 ASP HA H 108 4.511 5.296 -0.785 1
1 1197 . 5 1 1 A 108 108 ASP CA C 108 54.342 52.494 1.848 1
1 1198 . 5 1 1 A 108 108 ASP CB C 108 41.240 44.312 -3.072 1
1 1199 . 5 1 1 A 108 108 ASP N N 108 119.219 124.825 -5.606 1
1 1200 . 5 1 1 A 109 109 GLY H H 109 8.313 8.573 -0.260 1
1 1201 . 5 1 1 A 109 109 GLY HA2 H 109 3.946 3.936 0.010 1
1 1202 . 5 1 1 A 109 109 GLY HA3 H 109 3.848 3.945 -0.097 1
1 1203 . 5 1 1 A 109 109 GLY CA C 109 45.692 45.531 0.161 1
1 1204 . 5 1 1 A 109 109 GLY N N 109 109.478 113.753 -4.275 1
1 1205 . 5 1 1 A 110 110 SER H H 110 8.175 7.799 0.376 1
1 1206 . 5 1 1 A 110 110 SER HA H 110 4.286 4.138 0.148 1
1 1209 . 5 1 1 A 110 110 SER CA C 110 59.296 61.005 -1.709 1
1 1210 . 5 1 1 A 110 110 SER CB C 110 63.825 63.090 0.735 1
1 1211 . 5 1 1 A 110 110 SER N N 110 115.660 117.697 -2.037 1
1 1212 . 5 1 1 A 111 111 HIS HA H 111 4.527 4.351 0.176 1
1 1215 . 5 1 1 A 111 111 HIS CA C 111 56.109 57.234 -1.125 1
1 1216 . 5 1 1 A 111 111 HIS CB C 111 30.580 30.260 0.320 1
1 1217 . 5 1 1 A 112 112 HIS HA H 112 4.535 4.697 -0.162 1
1 1220 . 5 1 1 A 112 112 HIS CA C 112 57.411 57.330 0.081 1
1 1221 . 5 1 1 A 112 112 HIS CB C 112 30.756 30.727 0.029 1
1 2 . 6 1 1 A 2 2 VAL H H 2 8.613 7.292 1.321 1
1 3 . 6 1 1 A 2 2 VAL HA H 2 4.487 4.556 -0.069 1
1 11 . 6 1 1 A 2 2 VAL CA C 2 61.103 60.498 0.605 1
1 12 . 6 1 1 A 2 2 VAL CB C 2 35.731 35.106 0.625 1
1 15 . 6 1 1 A 2 2 VAL N N 2 117.956 116.001 1.955 1
1 16 . 6 1 1 A 3 3 ILE H H 3 8.439 8.647 -0.208 1
1 17 . 6 1 1 A 3 3 ILE HA H 3 4.498 4.598 -0.100 1
1 27 . 6 1 1 A 3 3 ILE CA C 3 60.172 60.214 -0.042 1
1 28 . 6 1 1 A 3 3 ILE CB C 3 38.528 39.651 -1.123 1
1 32 . 6 1 1 A 3 3 ILE N N 3 125.643 123.430 2.213 1
1 33 . 6 1 1 A 4 4 ILE H H 4 8.543 8.540 0.003 1
1 34 . 6 1 1 A 4 4 ILE HA H 4 4.005 3.988 0.017 1
1 44 . 6 1 1 A 4 4 ILE CA C 4 61.550 61.985 -0.435 1
1 45 . 6 1 1 A 4 4 ILE CB C 4 38.038 37.424 0.614 1
1 49 . 6 1 1 A 4 4 ILE N N 4 127.460 128.983 -1.523 1
1 50 . 6 1 1 A 5 5 LYS H H 5 8.292 8.745 -0.453 1
1 51 . 6 1 1 A 5 5 LYS HA H 5 5.173 4.668 0.505 1
1 60 . 6 1 1 A 5 5 LYS CA C 5 53.276 52.900 0.376 1
1 61 . 6 1 1 A 5 5 LYS CB C 5 33.713 34.160 -0.447 1
1 65 . 6 1 1 A 5 5 LYS N N 5 126.677 127.262 -0.585 1
1 66 . 6 1 1 A 6 6 PRO HA H 6 4.383 4.688 -0.305 1
1 73 . 6 1 1 A 6 6 PRO CA C 6 62.444 62.402 0.042 1
1 74 . 6 1 1 A 6 6 PRO CB C 6 32.018 33.416 -1.398 1
1 77 . 6 1 1 A 7 7 GLN H H 7 9.359 8.653 0.706 1
1 78 . 6 1 1 A 7 7 GLN HA H 7 4.406 4.496 -0.090 1
1 85 . 6 1 1 A 7 7 GLN CA C 7 56.357 55.699 0.658 1
1 86 . 6 1 1 A 7 7 GLN CB C 7 28.784 30.226 -1.442 1
1 88 . 6 1 1 A 7 7 GLN N N 7 119.975 119.256 0.719 1
1 90 . 6 1 1 A 8 8 VAL H H 8 7.032 7.448 -0.416 1
1 91 . 6 1 1 A 8 8 VAL HA H 8 4.486 4.792 -0.306 1
1 99 . 6 1 1 A 8 8 VAL CA C 8 58.874 59.038 -0.164 1
1 100 . 6 1 1 A 8 8 VAL CB C 8 35.169 36.045 -0.876 1
1 103 . 6 1 1 A 8 8 VAL N N 8 111.122 117.799 -6.677 1
1 104 . 6 1 1 A 9 9 SER H H 9 8.210 8.555 -0.345 1
1 105 . 6 1 1 A 9 9 SER HA H 9 4.957 5.113 -0.156 1
1 108 . 6 1 1 A 9 9 SER CA C 9 56.585 57.366 -0.781 1
1 109 . 6 1 1 A 9 9 SER CB C 9 64.442 64.637 -0.195 1
1 110 . 6 1 1 A 9 9 SER N N 9 115.043 118.231 -3.188 1
1 111 . 6 1 1 A 10 10 GLY H H 10 8.003 7.872 0.131 1
1 112 . 6 1 1 A 10 10 GLY HA2 H 10 4.412 4.194 0.218 1
1 113 . 6 1 1 A 10 10 GLY HA3 H 10 3.645 4.232 -0.587 1
1 114 . 6 1 1 A 10 10 GLY CA C 10 45.292 46.095 -0.803 1
1 115 . 6 1 1 A 10 10 GLY N N 10 108.708 111.126 -2.418 1
1 116 . 6 1 1 A 11 11 VAL H H 11 8.006 7.945 0.061 1
1 117 . 6 1 1 A 11 11 VAL HA H 11 4.743 4.823 -0.080 1
1 125 . 6 1 1 A 11 11 VAL CA C 11 60.539 60.536 0.003 1
1 126 . 6 1 1 A 11 11 VAL CB C 11 34.951 35.527 -0.576 1
1 129 . 6 1 1 A 11 11 VAL N N 11 118.308 120.626 -2.318 1
1 130 . 6 1 1 A 12 12 ILE H H 12 8.459 8.543 -0.084 1
1 131 . 6 1 1 A 12 12 ILE HA H 12 4.050 4.264 -0.214 1
1 141 . 6 1 1 A 12 12 ILE CA C 12 60.287 62.438 -2.151 1
1 142 . 6 1 1 A 12 12 ILE CB C 12 35.650 38.022 -2.372 1
1 146 . 6 1 1 A 12 12 ILE N N 12 125.265 126.519 -1.254 1
1 147 . 6 1 1 A 13 13 VAL H H 13 8.908 9.526 -0.618 1
1 148 . 6 1 1 A 13 13 VAL HA H 13 4.500 4.174 0.326 1
1 156 . 6 1 1 A 13 13 VAL CA C 13 62.126 63.427 -1.301 1
1 157 . 6 1 1 A 13 13 VAL CB C 13 33.291 33.236 0.055 1
1 160 . 6 1 1 A 13 13 VAL N N 13 124.479 126.318 -1.839 1
1 161 . 6 1 1 A 14 14 ASN H H 14 7.653 7.598 0.055 1
1 162 . 6 1 1 A 14 14 ASN HA H 14 4.819 5.062 -0.243 1
1 167 . 6 1 1 A 14 14 ASN CA C 14 52.806 52.520 0.286 1
1 168 . 6 1 1 A 14 14 ASN CB C 14 41.978 41.899 0.079 1
1 169 . 6 1 1 A 14 14 ASN N N 14 114.961 114.526 0.435 1
1 171 . 6 1 1 A 15 15 LYS H H 15 8.404 8.465 -0.061 1
1 172 . 6 1 1 A 15 15 LYS HA H 15 4.641 4.962 -0.321 1
1 179 . 6 1 1 A 15 15 LYS CA C 15 55.935 55.040 0.895 1
1 180 . 6 1 1 A 15 15 LYS CB C 15 35.274 33.810 1.464 1
1 183 . 6 1 1 A 15 15 LYS N N 15 123.768 120.659 3.109 1
1 184 . 6 1 1 A 16 16 LEU H H 16 8.020 8.686 -0.666 1
1 185 . 6 1 1 A 16 16 LEU HA H 16 4.611 4.461 0.150 1
1 195 . 6 1 1 A 16 16 LEU CA C 16 55.124 54.327 0.797 1
1 196 . 6 1 1 A 16 16 LEU CB C 16 41.308 39.719 1.589 1
1 200 . 6 1 1 A 16 16 LEU N N 16 126.162 127.321 -1.159 1
1 201 . 6 1 1 A 17 17 PHE H H 17 6.573 7.834 -1.261 1
1 202 . 6 1 1 A 17 17 PHE HA H 17 4.862 5.015 -0.153 1
1 207 . 6 1 1 A 17 17 PHE CA C 17 55.528 55.865 -0.337 1
1 208 . 6 1 1 A 17 17 PHE CB C 17 41.093 41.033 0.060 1
1 209 . 6 1 1 A 17 17 PHE N N 17 113.628 116.074 -2.446 1
1 210 . 6 1 1 A 18 18 LYS H H 18 8.655 8.451 0.204 1
1 211 . 6 1 1 A 18 18 LYS HA H 18 4.333 4.380 -0.047 1
1 220 . 6 1 1 A 18 18 LYS CA C 18 54.277 53.897 0.380 1
1 221 . 6 1 1 A 18 18 LYS CB C 18 35.134 36.310 -1.176 1
1 225 . 6 1 1 A 18 18 LYS N N 18 120.572 118.737 1.835 1
1 226 . 6 1 1 A 19 19 ALA H H 19 8.407 8.277 0.130 1
1 227 . 6 1 1 A 19 19 ALA HA H 19 3.962 4.799 -0.837 1
1 231 . 6 1 1 A 19 19 ALA CA C 19 53.980 52.520 1.460 1
1 232 . 6 1 1 A 19 19 ALA CB C 19 18.497 19.310 -0.813 1
1 233 . 6 1 1 A 19 19 ALA N N 19 123.842 124.222 -0.380 1
1 234 . 6 1 1 A 20 20 GLY H H 20 8.814 8.704 0.110 1
1 235 . 6 1 1 A 20 20 GLY HA2 H 20 4.313 3.932 0.381 1
1 236 . 6 1 1 A 20 20 GLY HA3 H 20 3.532 3.947 -0.415 1
1 237 . 6 1 1 A 20 20 GLY CA C 20 45.045 45.604 -0.559 1
1 238 . 6 1 1 A 20 20 GLY N N 20 112.434 111.738 0.696 1
1 239 . 6 1 1 A 21 21 ASP H H 21 7.933 8.040 -0.107 1
1 240 . 6 1 1 A 21 21 ASP HA H 21 4.499 4.946 -0.447 1
1 243 . 6 1 1 A 21 21 ASP CA C 21 55.383 53.087 2.296 1
1 244 . 6 1 1 A 21 21 ASP CB C 21 41.067 42.999 -1.932 1
1 245 . 6 1 1 A 21 21 ASP N N 21 121.505 120.862 0.643 1
1 246 . 6 1 1 A 22 22 LYS H H 22 8.311 8.554 -0.243 1
1 247 . 6 1 1 A 22 22 LYS HA H 22 4.871 4.631 0.240 1
1 256 . 6 1 1 A 22 22 LYS CA C 22 55.659 56.258 -0.599 1
1 257 . 6 1 1 A 22 22 LYS CB C 22 31.820 33.300 -1.480 1
1 261 . 6 1 1 A 22 22 LYS N N 22 120.225 122.097 -1.872 1
1 262 . 6 1 1 A 23 23 VAL H H 23 8.935 9.264 -0.329 1
1 263 . 6 1 1 A 23 23 VAL HA H 23 4.841 4.857 -0.016 1
1 271 . 6 1 1 A 23 23 VAL CA C 23 58.502 60.901 -2.399 1
1 272 . 6 1 1 A 23 23 VAL CB C 23 34.507 34.330 0.177 1
1 275 . 6 1 1 A 23 23 VAL N N 23 117.700 123.988 -6.288 1
1 276 . 6 1 1 A 24 24 LYS H H 24 7.960 8.714 -0.754 1
1 277 . 6 1 1 A 24 24 LYS HA H 24 4.838 4.841 -0.003 1
1 286 . 6 1 1 A 24 24 LYS CA C 24 53.195 54.294 -1.099 1
1 287 . 6 1 1 A 24 24 LYS CB C 24 35.213 35.089 0.124 1
1 291 . 6 1 1 A 24 24 LYS N N 24 121.958 124.621 -2.663 1
1 292 . 6 1 1 A 25 25 LYS H H 25 8.915 8.518 0.397 1
1 293 . 6 1 1 A 25 25 LYS HA H 25 3.156 4.295 -1.139 1
1 300 . 6 1 1 A 25 25 LYS CA C 25 58.648 56.845 1.803 1
1 301 . 6 1 1 A 25 25 LYS CB C 25 32.648 31.267 1.381 1
1 304 . 6 1 1 A 25 25 LYS N N 25 121.653 121.430 0.223 1
1 305 . 6 1 1 A 26 26 GLY H H 26 8.900 8.626 0.274 1
1 306 . 6 1 1 A 26 26 GLY HA2 H 26 4.283 3.934 0.349 1
1 307 . 6 1 1 A 26 26 GLY HA3 H 26 3.471 3.941 -0.470 1
1 308 . 6 1 1 A 26 26 GLY CA C 26 45.263 45.278 -0.015 1
1 309 . 6 1 1 A 26 26 GLY N N 26 115.268 112.856 2.412 1
1 310 . 6 1 1 A 27 27 GLN H H 27 8.433 7.385 1.048 1
1 311 . 6 1 1 A 27 27 GLN HA H 27 4.141 4.340 -0.199 1
1 318 . 6 1 1 A 27 27 GLN CA C 27 56.324 55.957 0.367 1
1 319 . 6 1 1 A 27 27 GLN CB C 27 30.520 29.382 1.138 1
1 321 . 6 1 1 A 27 27 GLN N N 27 123.155 120.621 2.534 1
1 323 . 6 1 1 A 28 28 THR H H 28 9.110 8.931 0.179 1
1 324 . 6 1 1 A 28 28 THR HA H 28 3.893 4.199 -0.306 1
1 329 . 6 1 1 A 28 28 THR CA C 28 65.828 64.247 1.581 1
1 330 . 6 1 1 A 28 28 THR CB C 28 68.581 69.175 -0.594 1
1 332 . 6 1 1 A 28 28 THR N N 28 124.748 120.940 3.808 1
1 333 . 6 1 1 A 29 29 LEU H H 29 9.509 8.811 0.698 1
1 334 . 6 1 1 A 29 29 LEU HA H 29 4.383 4.774 -0.391 1
1 344 . 6 1 1 A 29 29 LEU CA C 29 55.795 55.573 0.222 1
1 345 . 6 1 1 A 29 29 LEU CB C 29 44.572 44.430 0.142 1
1 349 . 6 1 1 A 29 29 LEU N N 29 125.873 126.235 -0.362 1
1 350 . 6 1 1 A 30 30 PHE H H 30 7.579 7.846 -0.267 1
1 351 . 6 1 1 A 30 30 PHE HA H 30 5.367 5.333 0.034 1
1 359 . 6 1 1 A 30 30 PHE CA C 30 55.486 56.166 -0.680 1
1 360 . 6 1 1 A 30 30 PHE CB C 30 44.887 43.036 1.851 1
1 361 . 6 1 1 A 30 30 PHE N N 30 111.134 114.972 -3.838 1
1 362 . 6 1 1 A 31 31 ILE H H 31 7.858 8.686 -0.828 1
1 363 . 6 1 1 A 31 31 ILE HA H 31 4.817 4.881 -0.064 1
1 373 . 6 1 1 A 31 31 ILE CA C 31 60.063 60.231 -0.168 1
1 374 . 6 1 1 A 31 31 ILE CB C 31 39.395 42.152 -2.757 1
1 378 . 6 1 1 A 31 31 ILE N N 31 119.416 119.855 -0.439 1
1 379 . 6 1 1 A 32 32 ILE H H 32 9.107 9.020 0.087 1
1 380 . 6 1 1 A 32 32 ILE HA H 32 4.842 4.946 -0.104 1
1 390 . 6 1 1 A 32 32 ILE CA C 32 59.002 60.209 -1.207 1
1 391 . 6 1 1 A 32 32 ILE CB C 32 42.048 42.396 -0.348 1
1 395 . 6 1 1 A 32 32 ILE N N 32 127.892 125.926 1.966 1
1 396 . 6 1 1 A 33 33 GLU H H 33 9.095 8.976 0.119 1
1 397 . 6 1 1 A 33 33 GLU HA H 33 4.642 5.151 -0.509 1
1 402 . 6 1 1 A 33 33 GLU CA C 33 54.985 54.616 0.369 1
1 403 . 6 1 1 A 33 33 GLU CB C 33 31.672 32.177 -0.505 1
1 405 . 6 1 1 A 33 33 GLU N N 33 128.157 127.833 0.324 1
1 406 . 6 1 1 A 34 34 GLN H H 34 8.725 8.778 -0.053 1
1 407 . 6 1 1 A 34 34 GLN HA H 34 4.354 4.413 -0.059 1
1 414 . 6 1 1 A 34 34 GLN CA C 34 56.807 56.630 0.177 1
1 415 . 6 1 1 A 34 34 GLN CB C 34 30.119 29.451 0.668 1
1 417 . 6 1 1 A 34 34 GLN N N 34 128.123 126.387 1.736 1
1 419 . 6 1 1 A 35 35 ASP H H 35 8.524 8.855 -0.331 1
1 420 . 6 1 1 A 35 35 ASP HA H 35 4.609 5.038 -0.429 1
1 423 . 6 1 1 A 35 35 ASP CA C 35 54.226 53.525 0.701 1
1 424 . 6 1 1 A 35 35 ASP CB C 35 41.429 41.791 -0.362 1
1 425 . 6 1 1 A 35 35 ASP N N 35 122.485 121.823 0.662 1
1 426 . 6 1 1 A 36 36 GLN H H 36 8.576 8.235 0.341 1
1 427 . 6 1 1 A 36 36 GLN HA H 36 4.041 4.185 -0.144 1
1 434 . 6 1 1 A 36 36 GLN CA C 36 56.662 58.296 -1.634 1
1 435 . 6 1 1 A 36 36 GLN CB C 36 29.166 28.240 0.926 1
1 437 . 6 1 1 A 36 36 GLN N N 36 123.321 119.813 3.508 1
1 439 . 6 1 1 A 37 37 ALA H H 37 8.322 7.801 0.521 1
1 440 . 6 1 1 A 37 37 ALA HA H 37 4.232 4.058 0.174 1
1 444 . 6 1 1 A 37 37 ALA CA C 37 53.231 55.249 -2.018 1
1 445 . 6 1 1 A 37 37 ALA CB C 37 19.020 19.400 -0.380 1
1 446 . 6 1 1 A 37 37 ALA N N 37 123.086 121.693 1.393 1
1 447 . 6 1 1 A 38 38 SER H H 38 7.919 7.707 0.212 1
1 448 . 6 1 1 A 38 38 SER HA H 38 4.283 4.737 -0.454 1
1 451 . 6 1 1 A 38 38 SER CA C 38 58.884 57.555 1.329 1
1 452 . 6 1 1 A 38 38 SER CB C 38 63.835 66.664 -2.829 1
1 453 . 6 1 1 A 38 38 SER N N 38 113.578 108.646 4.932 1
1 454 . 6 1 1 A 39 39 LYS H H 39 8.153 9.086 -0.933 1
1 455 . 6 1 1 A 39 39 LYS HA H 39 4.140 4.021 0.119 1
1 463 . 6 1 1 A 39 39 LYS CA C 39 57.127 59.949 -2.822 1
1 464 . 6 1 1 A 39 39 LYS CB C 39 32.812 32.628 0.184 1
1 468 . 6 1 1 A 39 39 LYS N N 39 122.651 125.216 -2.565 1
1 469 . 6 1 1 A 40 40 ASP H H 40 8.100 8.417 -0.317 1
1 470 . 6 1 1 A 40 40 ASP HA H 40 4.532 4.396 0.136 1
1 473 . 6 1 1 A 40 40 ASP CA C 40 54.376 57.068 -2.692 1
1 474 . 6 1 1 A 40 40 ASP CB C 40 41.245 41.163 0.082 1
1 475 . 6 1 1 A 40 40 ASP N N 40 119.441 120.307 -0.866 1
1 476 . 6 1 1 A 41 41 PHE H H 41 7.924 8.324 -0.400 1
1 477 . 6 1 1 A 41 41 PHE HA H 41 4.384 4.127 0.257 1
1 484 . 6 1 1 A 41 41 PHE CA C 41 58.704 62.110 -3.406 1
1 485 . 6 1 1 A 41 41 PHE CB C 41 39.397 39.300 0.097 1
1 486 . 6 1 1 A 41 41 PHE N N 41 121.124 121.069 0.055 1
1 487 . 6 1 1 A 42 42 ASN H H 42 8.311 8.216 0.095 1
1 488 . 6 1 1 A 42 42 ASN HA H 42 4.523 4.486 0.037 1
1 492 . 6 1 1 A 42 42 ASN CA C 42 53.133 54.952 -1.819 1
1 493 . 6 1 1 A 42 42 ASN CB C 42 38.801 38.327 0.474 1
1 494 . 6 1 1 A 42 42 ASN N N 42 120.181 117.581 2.600 1
1 496 . 6 1 1 A 43 43 ARG H H 43 8.133 8.047 0.086 1
1 497 . 6 1 1 A 43 43 ARG HA H 43 4.115 3.651 0.464 1
1 504 . 6 1 1 A 43 43 ARG CA C 43 57.051 56.818 0.233 1
1 505 . 6 1 1 A 43 43 ARG CB C 43 30.514 27.773 2.741 1
1 508 . 6 1 1 A 43 43 ARG N N 43 121.727 120.025 1.702 1
1 509 . 6 1 1 A 44 44 SER H H 44 8.174 7.768 0.406 1
1 510 . 6 1 1 A 44 44 SER HA H 44 4.286 4.743 -0.457 1
1 513 . 6 1 1 A 44 44 SER CA C 44 59.344 56.666 2.678 1
1 514 . 6 1 1 A 44 44 SER CB C 44 63.357 65.589 -2.232 1
1 515 . 6 1 1 A 44 44 SER N N 44 115.718 113.292 2.426 1
1 516 . 6 1 1 A 45 45 LYS H H 45 7.963 9.055 -1.092 1
1 517 . 6 1 1 A 45 45 LYS HA H 45 4.123 4.329 -0.206 1
1 526 . 6 1 1 A 45 45 LYS CA C 45 56.866 57.739 -0.873 1
1 527 . 6 1 1 A 45 45 LYS CB C 45 32.777 32.658 0.119 1
1 530 . 6 1 1 A 45 45 LYS N N 45 122.326 122.492 -0.166 1
1 531 . 6 1 1 A 46 46 ALA H H 46 7.965 7.400 0.565 1
1 532 . 6 1 1 A 46 46 ALA HA H 46 4.165 4.411 -0.246 1
1 536 . 6 1 1 A 46 46 ALA CA C 46 52.999 51.625 1.374 1
1 537 . 6 1 1 A 46 46 ALA CB C 46 18.944 21.705 -2.761 1
1 538 . 6 1 1 A 46 46 ALA N N 46 123.536 115.657 7.879 1
1 539 . 6 1 1 A 47 47 LEU H H 47 7.898 8.324 -0.426 1
1 540 . 6 1 1 A 47 47 LEU HA H 47 4.158 4.509 -0.351 1
1 550 . 6 1 1 A 47 47 LEU CA C 47 55.583 53.522 2.061 1
1 551 . 6 1 1 A 47 47 LEU CB C 47 42.404 44.096 -1.692 1
1 555 . 6 1 1 A 47 47 LEU N N 47 119.914 118.773 1.141 1
1 556 . 6 1 1 A 48 48 PHE H H 48 7.981 8.922 -0.941 1
1 557 . 6 1 1 A 48 48 PHE HA H 48 4.539 4.519 0.020 1
1 564 . 6 1 1 A 48 48 PHE CA C 48 58.033 58.731 -0.698 1
1 565 . 6 1 1 A 48 48 PHE CB C 48 39.470 39.158 0.312 1
1 566 . 6 1 1 A 48 48 PHE N N 48 119.602 125.816 -6.214 1
1 567 . 6 1 1 A 49 49 SER H H 49 8.028 9.085 -1.057 1
1 568 . 6 1 1 A 49 49 SER HA H 49 4.332 4.452 -0.120 1
1 571 . 6 1 1 A 49 49 SER CA C 49 58.581 60.720 -2.139 1
1 572 . 6 1 1 A 49 49 SER CB C 49 63.866 62.037 1.829 1
1 573 . 6 1 1 A 49 49 SER N N 49 116.270 115.215 1.055 1
1 574 . 6 1 1 A 50 50 GLN H H 50 8.266 8.297 -0.031 1
1 575 . 6 1 1 A 50 50 GLN HA H 50 4.257 4.441 -0.184 1
1 582 . 6 1 1 A 50 50 GLN CA C 50 56.435 54.576 1.859 1
1 583 . 6 1 1 A 50 50 GLN CB C 50 29.204 28.198 1.006 1
1 585 . 6 1 1 A 50 50 GLN N N 50 121.931 120.359 1.572 1
1 587 . 6 1 1 A 51 51 SER H H 51 8.147 8.195 -0.048 1
1 588 . 6 1 1 A 51 51 SER HA H 51 4.338 4.206 0.132 1
1 591 . 6 1 1 A 51 51 SER CA C 51 58.645 59.169 -0.524 1
1 592 . 6 1 1 A 51 51 SER CB C 51 63.784 61.733 2.051 1
1 593 . 6 1 1 A 51 51 SER N N 51 115.676 110.943 4.733 1
1 594 . 6 1 1 A 52 52 ALA H H 52 8.175 7.669 0.506 1
1 595 . 6 1 1 A 52 52 ALA HA H 52 4.265 3.988 0.277 1
1 599 . 6 1 1 A 52 52 ALA CA C 52 53.031 55.353 -2.322 1
1 600 . 6 1 1 A 52 52 ALA CB C 52 18.941 19.168 -0.227 1
1 601 . 6 1 1 A 52 52 ALA N N 52 125.360 121.354 4.006 1
1 602 . 6 1 1 A 53 53 ILE H H 53 7.870 7.933 -0.063 1
1 603 . 6 1 1 A 53 53 ILE HA H 53 4.099 4.652 -0.553 1
1 613 . 6 1 1 A 53 53 ILE CA C 53 61.558 60.019 1.539 1
1 614 . 6 1 1 A 53 53 ILE CB C 53 38.851 41.956 -3.105 1
1 618 . 6 1 1 A 53 53 ILE N N 53 118.231 116.851 1.380 1
1 619 . 6 1 1 A 54 54 SER H H 54 8.159 8.674 -0.515 1
1 620 . 6 1 1 A 54 54 SER HA H 54 4.384 4.443 -0.059 1
1 623 . 6 1 1 A 54 54 SER CA C 54 58.551 58.656 -0.105 1
1 624 . 6 1 1 A 54 54 SER CB C 54 63.964 62.778 1.186 1
1 625 . 6 1 1 A 54 54 SER N N 54 118.588 122.950 -4.362 1
1 626 . 6 1 1 A 55 55 GLN H H 55 8.301 8.274 0.027 1
1 627 . 6 1 1 A 55 55 GLN HA H 55 4.214 3.951 0.263 1
1 634 . 6 1 1 A 55 55 GLN CA C 55 56.547 58.370 -1.823 1
1 635 . 6 1 1 A 55 55 GLN CB C 55 29.292 27.958 1.334 1
1 637 . 6 1 1 A 55 55 GLN N N 55 122.173 126.761 -4.588 1
1 639 . 6 1 1 A 56 56 LYS H H 56 8.163 7.641 0.522 1
1 640 . 6 1 1 A 56 56 LYS HA H 56 4.177 4.357 -0.180 1
1 647 . 6 1 1 A 56 56 LYS CA C 56 56.978 56.587 0.391 1
1 648 . 6 1 1 A 56 56 LYS CB C 56 32.855 31.786 1.069 1
1 651 . 6 1 1 A 56 56 LYS N N 56 121.126 116.255 4.871 1
1 652 . 6 1 1 A 57 57 GLU H H 57 8.211 8.908 -0.697 1
1 653 . 6 1 1 A 57 57 GLU HA H 57 4.151 3.912 0.239 1
1 658 . 6 1 1 A 57 57 GLU CA C 57 57.058 57.698 -0.640 1
1 659 . 6 1 1 A 57 57 GLU CB C 57 30.211 27.618 2.593 1
1 661 . 6 1 1 A 57 57 GLU N N 57 120.615 117.021 3.594 1
1 662 . 6 1 1 A 58 58 TYR H H 58 8.070 7.782 0.288 1
1 663 . 6 1 1 A 58 58 TYR HA H 58 4.375 4.414 -0.039 1
1 670 . 6 1 1 A 58 58 TYR CA C 58 58.570 57.769 0.801 1
1 671 . 6 1 1 A 58 58 TYR CB C 58 38.962 39.428 -0.466 1
1 672 . 6 1 1 A 58 58 TYR N N 58 120.822 117.611 3.211 1
1 673 . 6 1 1 A 59 59 ASP H H 59 8.146 8.633 -0.487 1
1 674 . 6 1 1 A 59 59 ASP HA H 59 4.492 4.767 -0.275 1
1 677 . 6 1 1 A 59 59 ASP CA C 59 54.396 52.512 1.884 1
1 678 . 6 1 1 A 59 59 ASP CB C 59 41.086 42.118 -1.032 1
1 679 . 6 1 1 A 59 59 ASP N N 59 122.551 121.115 1.436 1
1 680 . 6 1 1 A 60 60 SER H H 60 8.253 8.538 -0.285 1
1 681 . 6 1 1 A 60 60 SER HA H 60 4.260 3.870 0.390 1
1 684 . 6 1 1 A 60 60 SER CA C 60 59.533 61.600 -2.067 1
1 685 . 6 1 1 A 60 60 SER CB C 60 63.422 62.433 0.989 1
1 686 . 6 1 1 A 60 60 SER N N 60 117.657 121.044 -3.387 1
1 687 . 6 1 1 A 61 61 SER H H 61 8.344 8.085 0.259 1
1 688 . 6 1 1 A 61 61 SER HA H 61 4.307 4.204 0.103 1
1 691 . 6 1 1 A 61 61 SER CA C 61 59.755 61.075 -1.320 1
1 692 . 6 1 1 A 61 61 SER CB C 61 63.582 63.142 0.440 1
1 693 . 6 1 1 A 61 61 SER N N 61 118.129 117.811 0.318 1
1 694 . 6 1 1 A 62 62 LEU H H 62 7.759 7.967 -0.208 1
1 695 . 6 1 1 A 62 62 LEU HA H 62 4.234 4.575 -0.341 1
1 705 . 6 1 1 A 62 62 LEU CA C 62 55.464 54.548 0.916 1
1 706 . 6 1 1 A 62 62 LEU CB C 62 42.238 42.397 -0.159 1
1 710 . 6 1 1 A 62 62 LEU N N 62 122.627 114.354 8.273 1
1 711 . 6 1 1 A 63 63 ALA H H 63 7.919 7.559 0.360 1
1 712 . 6 1 1 A 63 63 ALA HA H 63 4.276 4.760 -0.484 1
1 716 . 6 1 1 A 63 63 ALA CA C 63 52.922 50.589 2.333 1
1 717 . 6 1 1 A 63 63 ALA CB C 63 19.221 20.451 -1.230 1
1 718 . 6 1 1 A 63 63 ALA N N 63 123.444 121.821 1.623 1
1 719 . 6 1 1 A 64 64 THR H H 64 7.890 8.523 -0.633 1
1 720 . 6 1 1 A 64 64 THR HA H 64 4.217 4.485 -0.268 1
1 725 . 6 1 1 A 64 64 THR CA C 64 61.787 61.452 0.335 1
1 726 . 6 1 1 A 64 64 THR CB C 64 69.719 69.780 -0.061 1
1 728 . 6 1 1 A 64 64 THR N N 64 112.279 118.625 -6.346 1
1 729 . 6 1 1 A 65 65 LEU H H 65 8.009 8.711 -0.702 1
1 730 . 6 1 1 A 65 65 LEU HA H 65 4.295 3.867 0.428 1
1 740 . 6 1 1 A 65 65 LEU CA C 65 55.345 55.721 -0.376 1
1 741 . 6 1 1 A 65 65 LEU CB C 65 42.412 40.465 1.947 1
1 745 . 6 1 1 A 65 65 LEU N N 65 123.586 120.084 3.502 1
1 746 . 6 1 1 A 66 66 ASP H H 66 8.288 7.972 0.316 1
1 747 . 6 1 1 A 66 66 ASP HA H 66 4.564 4.382 0.182 1
1 750 . 6 1 1 A 66 66 ASP CA C 66 54.676 55.181 -0.505 1
1 751 . 6 1 1 A 66 66 ASP CB C 66 41.376 41.868 -0.492 1
1 752 . 6 1 1 A 66 66 ASP N N 66 120.344 117.768 2.576 1
1 753 . 6 1 1 A 67 67 HIS H H 67 8.058 8.732 -0.674 1
1 754 . 6 1 1 A 67 67 HIS HA H 67 5.247 5.057 0.190 1
1 758 . 6 1 1 A 67 67 HIS CA C 67 55.260 54.778 0.482 1
1 759 . 6 1 1 A 67 67 HIS CB C 67 31.974 33.250 -1.276 1
1 760 . 6 1 1 A 67 67 HIS N N 67 119.406 117.876 1.530 1
1 761 . 6 1 1 A 68 68 THR H H 68 8.919 9.350 -0.431 1
1 762 . 6 1 1 A 68 68 THR HA H 68 4.484 4.742 -0.258 1
1 767 . 6 1 1 A 68 68 THR CA C 68 62.542 62.022 0.520 1
1 768 . 6 1 1 A 68 68 THR CB C 68 71.067 69.325 1.742 1
1 770 . 6 1 1 A 68 68 THR N N 68 117.233 118.800 -1.567 1
1 771 . 6 1 1 A 69 69 GLU H H 69 8.649 8.495 0.154 1
1 772 . 6 1 1 A 69 69 GLU HA H 69 4.703 4.650 0.053 1
1 777 . 6 1 1 A 69 69 GLU CA C 69 55.886 56.046 -0.160 1
1 778 . 6 1 1 A 69 69 GLU CB C 69 31.746 30.175 1.571 1
1 780 . 6 1 1 A 69 69 GLU N N 69 124.187 126.509 -2.322 1
1 781 . 6 1 1 A 70 70 ILE H H 70 8.601 9.064 -0.463 1
1 782 . 6 1 1 A 70 70 ILE HA H 70 4.405 4.398 0.007 1
1 792 . 6 1 1 A 70 70 ILE CA C 70 59.234 61.165 -1.931 1
1 793 . 6 1 1 A 70 70 ILE CB C 70 37.318 37.219 0.099 1
1 797 . 6 1 1 A 70 70 ILE N N 70 123.482 126.254 -2.772 1
1 798 . 6 1 1 A 71 71 LYS H H 71 8.926 8.462 0.464 1
1 799 . 6 1 1 A 71 71 LYS HA H 71 5.078 4.656 0.422 1
1 806 . 6 1 1 A 71 71 LYS CA C 71 54.584 55.592 -1.008 1
1 807 . 6 1 1 A 71 71 LYS CB C 71 36.281 33.813 2.468 1
1 810 . 6 1 1 A 71 71 LYS N N 71 128.267 126.140 2.127 1
1 811 . 6 1 1 A 72 72 ALA H H 72 8.633 8.576 0.057 1
1 812 . 6 1 1 A 72 72 ALA HA H 72 4.067 4.513 -0.446 1
1 816 . 6 1 1 A 72 72 ALA CA C 72 49.967 50.468 -0.501 1
1 817 . 6 1 1 A 72 72 ALA CB C 72 17.255 18.596 -1.341 1
1 818 . 6 1 1 A 72 72 ALA N N 72 123.088 123.794 -0.706 1
1 819 . 6 1 1 A 73 73 PRO HA H 73 4.333 4.484 -0.151 1
1 826 . 6 1 1 A 73 73 PRO CA C 73 63.716 64.891 -1.175 1
1 827 . 6 1 1 A 73 73 PRO CB C 73 31.915 32.140 -0.225 1
1 830 . 6 1 1 A 74 74 PHE H H 74 6.768 6.936 -0.168 1
1 831 . 6 1 1 A 74 74 PHE HA H 74 4.421 5.071 -0.650 1
1 838 . 6 1 1 A 74 74 PHE CA C 74 54.396 55.819 -1.423 1
1 839 . 6 1 1 A 74 74 PHE CB C 74 40.697 41.667 -0.970 1
1 840 . 6 1 1 A 74 74 PHE N N 74 112.022 112.270 -0.248 1
1 841 . 6 1 1 A 75 75 ASP H H 75 8.583 8.823 -0.240 1
1 842 . 6 1 1 A 75 75 ASP HA H 75 4.922 4.612 0.310 1
1 845 . 6 1 1 A 75 75 ASP CA C 75 53.873 53.755 0.118 1
1 846 . 6 1 1 A 75 75 ASP CB C 75 40.839 42.132 -1.293 1
1 847 . 6 1 1 A 75 75 ASP N N 75 118.252 120.210 -1.958 1
1 848 . 6 1 1 A 76 76 GLY H H 76 8.348 8.317 0.031 1
1 849 . 6 1 1 A 76 76 GLY HA2 H 76 4.236 4.188 0.048 1
1 850 . 6 1 1 A 76 76 GLY HA3 H 76 4.075 4.193 -0.118 1
1 851 . 6 1 1 A 76 76 GLY CA C 76 46.639 44.436 2.203 1
1 852 . 6 1 1 A 76 76 GLY N N 76 108.729 106.681 2.048 1
1 853 . 6 1 1 A 77 77 THR H H 77 8.623 8.107 0.516 1
1 854 . 6 1 1 A 77 77 THR HA H 77 4.975 5.115 -0.140 1
1 859 . 6 1 1 A 77 77 THR CA C 77 61.752 61.347 0.405 1
1 860 . 6 1 1 A 77 77 THR CB C 77 70.121 71.455 -1.334 1
1 862 . 6 1 1 A 77 77 THR N N 77 116.400 116.004 0.396 1
1 863 . 6 1 1 A 78 78 ILE H H 78 8.824 8.739 0.085 1
1 864 . 6 1 1 A 78 78 ILE HA H 78 4.673 5.015 -0.342 1
1 874 . 6 1 1 A 78 78 ILE CA C 78 60.164 59.277 0.887 1
1 875 . 6 1 1 A 78 78 ILE CB C 78 42.973 41.275 1.698 1
1 879 . 6 1 1 A 78 78 ILE N N 78 129.310 127.759 1.551 1
1 880 . 6 1 1 A 79 79 GLY H H 79 8.060 8.295 -0.235 1
1 881 . 6 1 1 A 79 79 GLY HA2 H 79 4.404 4.140 0.264 1
1 882 . 6 1 1 A 79 79 GLY HA3 H 79 3.775 4.145 -0.370 1
1 883 . 6 1 1 A 79 79 GLY CA C 79 44.149 44.599 -0.450 1
1 884 . 6 1 1 A 79 79 GLY N N 79 114.539 115.593 -1.054 1
1 885 . 6 1 1 A 80 80 ASP H H 80 7.804 8.481 -0.677 1
1 886 . 6 1 1 A 80 80 ASP HA H 80 4.703 5.582 -0.879 1
1 889 . 6 1 1 A 80 80 ASP CA C 80 53.703 52.837 0.866 1
1 890 . 6 1 1 A 80 80 ASP CB C 80 41.918 43.618 -1.700 1
1 891 . 6 1 1 A 80 80 ASP N N 80 113.688 122.003 -8.315 1
1 892 . 6 1 1 A 81 81 ALA H H 81 8.566 9.158 -0.592 1
1 893 . 6 1 1 A 81 81 ALA HA H 81 4.571 4.809 -0.238 1
1 897 . 6 1 1 A 81 81 ALA CA C 81 53.312 52.808 0.504 1
1 898 . 6 1 1 A 81 81 ALA CB C 81 20.381 19.376 1.005 1
1 899 . 6 1 1 A 81 81 ALA N N 81 124.136 127.456 -3.320 1
1 900 . 6 1 1 A 82 82 LEU H H 82 8.747 9.196 -0.449 1
1 901 . 6 1 1 A 82 82 LEU HA H 82 4.345 4.469 -0.124 1
1 910 . 6 1 1 A 82 82 LEU CA C 82 55.210 55.970 -0.760 1
1 911 . 6 1 1 A 82 82 LEU CB C 82 41.457 42.968 -1.511 1
1 914 . 6 1 1 A 82 82 LEU N N 82 121.773 122.560 -0.787 1
1 915 . 6 1 1 A 83 83 VAL H H 83 7.141 7.402 -0.261 1
1 916 . 6 1 1 A 83 83 VAL HA H 83 4.496 4.664 -0.168 1
1 924 . 6 1 1 A 83 83 VAL CA C 83 58.502 59.866 -1.364 1
1 925 . 6 1 1 A 83 83 VAL CB C 83 35.229 34.214 1.015 1
1 928 . 6 1 1 A 83 83 VAL N N 83 108.169 114.560 -6.391 1
1 929 . 6 1 1 A 84 84 ASN H H 84 9.076 8.810 0.266 1
1 930 . 6 1 1 A 84 84 ASN HA H 84 4.887 5.484 -0.597 1
1 935 . 6 1 1 A 84 84 ASN CA C 84 51.248 50.774 0.474 1
1 936 . 6 1 1 A 84 84 ASN CB C 84 41.989 40.611 1.378 1
1 937 . 6 1 1 A 84 84 ASN N N 84 119.502 117.681 1.821 1
1 939 . 6 1 1 A 85 85 ILE H H 85 8.404 8.441 -0.037 1
1 940 . 6 1 1 A 85 85 ILE HA H 85 3.393 4.175 -0.782 1
1 950 . 6 1 1 A 85 85 ILE CA C 85 63.873 62.305 1.568 1
1 951 . 6 1 1 A 85 85 ILE CB C 85 37.146 38.598 -1.452 1
1 955 . 6 1 1 A 85 85 ILE N N 85 119.409 119.444 -0.035 1
1 956 . 6 1 1 A 86 86 GLY H H 86 9.239 8.641 0.598 1
1 957 . 6 1 1 A 86 86 GLY HA2 H 86 4.401 3.931 0.470 1
1 958 . 6 1 1 A 86 86 GLY HA3 H 86 3.411 3.932 -0.521 1
1 959 . 6 1 1 A 86 86 GLY CA C 86 44.869 45.725 -0.856 1
1 960 . 6 1 1 A 86 86 GLY N N 86 117.321 115.425 1.896 1
1 961 . 6 1 1 A 87 87 ASP H H 87 7.968 7.880 0.088 1
1 962 . 6 1 1 A 87 87 ASP HA H 87 4.607 5.075 -0.468 1
1 965 . 6 1 1 A 87 87 ASP CA C 87 54.886 52.849 2.037 1
1 966 . 6 1 1 A 87 87 ASP CB C 87 40.771 43.099 -2.328 1
1 967 . 6 1 1 A 87 87 ASP N N 87 121.490 120.722 0.768 1
1 968 . 6 1 1 A 88 88 TYR H H 88 8.566 8.969 -0.403 1
1 969 . 6 1 1 A 88 88 TYR HA H 88 4.712 5.038 -0.326 1
1 976 . 6 1 1 A 88 88 TYR CA C 88 57.826 59.558 -1.732 1
1 977 . 6 1 1 A 88 88 TYR CB C 88 39.243 39.410 -0.167 1
1 978 . 6 1 1 A 88 88 TYR N N 88 122.340 126.976 -4.636 1
1 979 . 6 1 1 A 89 89 VAL H H 89 8.951 8.010 0.941 1
1 980 . 6 1 1 A 89 89 VAL HA H 89 4.578 4.748 -0.170 1
1 988 . 6 1 1 A 89 89 VAL CA C 89 58.339 59.426 -1.087 1
1 989 . 6 1 1 A 89 89 VAL CB C 89 34.321 36.015 -1.694 1
1 992 . 6 1 1 A 89 89 VAL N N 89 121.914 120.617 1.297 1
1 993 . 6 1 1 A 90 90 SER H H 90 8.777 8.748 0.029 1
1 994 . 6 1 1 A 90 90 SER HA H 90 4.750 4.520 0.230 1
1 997 . 6 1 1 A 90 90 SER CA C 90 56.895 57.842 -0.947 1
1 998 . 6 1 1 A 90 90 SER CB C 90 64.866 65.033 -0.167 1
1 999 . 6 1 1 A 90 90 SER N N 90 114.813 119.123 -4.310 1
1 1000 . 6 1 1 A 91 91 ALA H H 91 8.712 8.894 -0.182 1
1 1001 . 6 1 1 A 91 91 ALA HA H 91 3.515 4.441 -0.926 1
1 1005 . 6 1 1 A 91 91 ALA CA C 91 53.317 54.757 -1.440 1
1 1006 . 6 1 1 A 91 91 ALA CB C 91 18.678 19.100 -0.422 1
1 1007 . 6 1 1 A 91 91 ALA N N 91 129.870 124.496 5.374 1
1 1008 . 6 1 1 A 92 92 SER H H 92 9.170 8.053 1.117 1
1 1009 . 6 1 1 A 92 92 SER HA H 92 3.817 4.392 -0.575 1
1 1012 . 6 1 1 A 92 92 SER CA C 92 60.652 58.806 1.846 1
1 1013 . 6 1 1 A 92 92 SER CB C 92 62.505 63.462 -0.957 1
1 1014 . 6 1 1 A 92 92 SER N N 92 113.294 112.403 0.891 1
1 1015 . 6 1 1 A 93 93 THR H H 93 7.816 7.855 -0.039 1
1 1016 . 6 1 1 A 93 93 THR HA H 93 4.402 4.382 0.020 1
1 1021 . 6 1 1 A 93 93 THR CA C 93 64.378 63.367 1.011 1
1 1022 . 6 1 1 A 93 93 THR CB C 93 70.948 69.927 1.021 1
1 1024 . 6 1 1 A 93 93 THR N N 93 113.858 113.864 -0.006 1
1 1025 . 6 1 1 A 94 94 THR H H 94 7.702 7.601 0.101 1
1 1026 . 6 1 1 A 94 94 THR HA H 94 3.910 4.657 -0.747 1
1 1031 . 6 1 1 A 94 94 THR CA C 94 65.140 60.860 4.280 1
1 1032 . 6 1 1 A 94 94 THR CB C 94 70.001 69.003 0.998 1
1 1034 . 6 1 1 A 94 94 THR N N 94 119.588 117.288 2.300 1
1 1035 . 6 1 1 A 95 95 GLU H H 95 8.407 8.477 -0.070 1
1 1036 . 6 1 1 A 95 95 GLU HA H 95 3.801 4.796 -0.995 1
1 1041 . 6 1 1 A 95 95 GLU CA C 95 56.613 55.231 1.382 1
1 1042 . 6 1 1 A 95 95 GLU CB C 95 29.600 30.610 -1.010 1
1 1044 . 6 1 1 A 95 95 GLU N N 95 124.764 127.289 -2.525 1
1 1045 . 6 1 1 A 96 96 LEU H H 96 8.750 8.711 0.039 1
1 1046 . 6 1 1 A 96 96 LEU HA H 96 4.260 4.168 0.092 1
1 1056 . 6 1 1 A 96 96 LEU CA C 96 56.927 56.307 0.620 1
1 1057 . 6 1 1 A 96 96 LEU CB C 96 43.310 41.522 1.788 1
1 1061 . 6 1 1 A 96 96 LEU N N 96 120.035 125.152 -5.117 1
1 1062 . 6 1 1 A 97 97 VAL H H 97 7.053 7.798 -0.745 1
1 1063 . 6 1 1 A 97 97 VAL HA H 97 4.345 4.666 -0.321 1
1 1071 . 6 1 1 A 97 97 VAL CA C 97 61.291 59.626 1.665 1
1 1072 . 6 1 1 A 97 97 VAL CB C 97 31.577 35.828 -4.251 1
1 1075 . 6 1 1 A 97 97 VAL N N 97 112.365 115.811 -3.446 1
1 1076 . 6 1 1 A 98 98 ARG H H 98 8.980 8.833 0.147 1
1 1077 . 6 1 1 A 98 98 ARG HA H 98 5.267 5.301 -0.034 1
1 1084 . 6 1 1 A 98 98 ARG CA C 98 55.195 53.868 1.327 1
1 1085 . 6 1 1 A 98 98 ARG CB C 98 32.818 34.008 -1.190 1
1 1088 . 6 1 1 A 98 98 ARG N N 98 127.477 124.884 2.593 1
1 1089 . 6 1 1 A 99 99 VAL H H 99 8.887 9.181 -0.294 1
1 1090 . 6 1 1 A 99 99 VAL HA H 99 4.556 4.675 -0.119 1
1 1095 . 6 1 1 A 99 99 VAL CA C 99 60.968 60.226 0.742 1
1 1096 . 6 1 1 A 99 99 VAL CB C 99 34.186 33.669 0.517 1
1 1098 . 6 1 1 A 99 99 VAL N N 99 122.826 121.666 1.160 1
1 1099 . 6 1 1 A 100 100 THR H H 100 8.833 8.870 -0.037 1
1 1100 . 6 1 1 A 100 100 THR HA H 100 4.559 4.993 -0.434 1
1 1105 . 6 1 1 A 100 100 THR CA C 100 61.080 59.932 1.148 1
1 1106 . 6 1 1 A 100 100 THR CB C 100 70.669 71.698 -1.029 1
1 1108 . 6 1 1 A 100 100 THR N N 100 121.816 121.272 0.544 1
1 1109 . 6 1 1 A 101 101 ASN H H 101 8.153 9.116 -0.963 1
1 1110 . 6 1 1 A 101 101 ASN HA H 101 4.518 4.683 -0.165 1
1 1115 . 6 1 1 A 101 101 ASN CA C 101 54.238 54.942 -0.704 1
1 1116 . 6 1 1 A 101 101 ASN CB C 101 38.470 38.428 0.042 1
1 1117 . 6 1 1 A 101 101 ASN N N 101 122.733 125.100 -2.367 1
1 1119 . 6 1 1 A 102 102 LEU H H 102 8.160 8.676 -0.516 1
1 1120 . 6 1 1 A 102 102 LEU HA H 102 4.245 4.362 -0.117 1
1 1130 . 6 1 1 A 102 102 LEU CA C 102 55.449 56.665 -1.216 1
1 1131 . 6 1 1 A 102 102 LEU CB C 102 42.549 41.553 0.996 1
1 1135 . 6 1 1 A 102 102 LEU N N 102 122.544 120.888 1.656 1
1 1136 . 6 1 1 A 103 103 ASN H H 103 8.405 8.574 -0.169 1
1 1137 . 6 1 1 A 103 103 ASN HA H 103 4.867 5.179 -0.312 1
1 1142 . 6 1 1 A 103 103 ASN CA C 103 51.316 49.732 1.584 1
1 1143 . 6 1 1 A 103 103 ASN CB C 103 39.049 39.226 -0.177 1
1 1144 . 6 1 1 A 103 103 ASN N N 103 120.174 120.260 -0.086 1
1 1146 . 6 1 1 A 104 104 PRO HA H 104 4.230 4.559 -0.329 1
1 1153 . 6 1 1 A 104 104 PRO CA C 104 63.559 62.317 1.242 1
1 1154 . 6 1 1 A 104 104 PRO CB C 104 32.102 33.194 -1.092 1
1 1157 . 6 1 1 A 105 105 ILE H H 105 7.886 8.504 -0.618 1
1 1158 . 6 1 1 A 105 105 ILE HA H 105 3.941 4.490 -0.549 1
1 1168 . 6 1 1 A 105 105 ILE CA C 105 61.348 59.653 1.695 1
1 1169 . 6 1 1 A 105 105 ILE CB C 105 38.569 42.173 -3.604 1
1 1173 . 6 1 1 A 105 105 ILE N N 105 119.390 120.868 -1.478 1
1 1174 . 6 1 1 A 106 106 TYR H H 106 7.961 8.375 -0.414 1
1 1175 . 6 1 1 A 106 106 TYR HA H 106 4.536 4.876 -0.340 1
1 1182 . 6 1 1 A 106 106 TYR CA C 106 57.370 56.971 0.399 1
1 1183 . 6 1 1 A 106 106 TYR CB C 106 38.889 39.570 -0.681 1
1 1184 . 6 1 1 A 106 106 TYR N N 106 123.172 122.099 1.073 1
1 1185 . 6 1 1 A 107 107 ALA H H 107 8.128 7.149 0.979 1
1 1186 . 6 1 1 A 107 107 ALA HA H 107 4.217 4.431 -0.214 1
1 1190 . 6 1 1 A 107 107 ALA CA C 107 52.724 51.373 1.351 1
1 1191 . 6 1 1 A 107 107 ALA CB C 107 19.133 21.721 -2.588 1
1 1192 . 6 1 1 A 107 107 ALA N N 107 125.520 120.064 5.456 1
1 1193 . 6 1 1 A 108 108 ASP H H 108 8.147 9.078 -0.931 1
1 1194 . 6 1 1 A 108 108 ASP HA H 108 4.511 4.043 0.468 1
1 1197 . 6 1 1 A 108 108 ASP CA C 108 54.342 54.636 -0.294 1
1 1198 . 6 1 1 A 108 108 ASP CB C 108 41.240 39.127 2.113 1
1 1199 . 6 1 1 A 108 108 ASP N N 108 119.219 120.640 -1.421 1
1 1200 . 6 1 1 A 109 109 GLY H H 109 8.313 7.729 0.584 1
1 1201 . 6 1 1 A 109 109 GLY HA2 H 109 3.946 3.981 -0.035 1
1 1202 . 6 1 1 A 109 109 GLY HA3 H 109 3.848 3.987 -0.139 1
1 1203 . 6 1 1 A 109 109 GLY CA C 109 45.692 44.389 1.303 1
1 1204 . 6 1 1 A 109 109 GLY N N 109 109.478 109.827 -0.349 1
1 1205 . 6 1 1 A 110 110 SER H H 110 8.175 8.446 -0.271 1
1 1206 . 6 1 1 A 110 110 SER HA H 110 4.286 4.291 -0.005 1
1 1209 . 6 1 1 A 110 110 SER CA C 110 59.296 60.479 -1.183 1
1 1210 . 6 1 1 A 110 110 SER CB C 110 63.825 63.851 -0.026 1
1 1211 . 6 1 1 A 110 110 SER N N 110 115.660 121.615 -5.955 1
1 1212 . 6 1 1 A 111 111 HIS HA H 111 4.527 5.153 -0.626 1
1 1215 . 6 1 1 A 111 111 HIS CA C 111 56.109 53.435 2.674 1
1 1216 . 6 1 1 A 111 111 HIS CB C 111 30.580 32.793 -2.213 1
1 1217 . 6 1 1 A 112 112 HIS HA H 112 4.535 4.908 -0.373 1
1 1220 . 6 1 1 A 112 112 HIS CA C 112 57.411 55.255 2.156 1
1 1221 . 6 1 1 A 112 112 HIS CB C 112 30.756 32.098 -1.342 1
1 2 . 7 1 1 A 2 2 VAL H H 2 8.613 8.630 -0.017 1
1 3 . 7 1 1 A 2 2 VAL HA H 2 4.487 5.011 -0.524 1
1 11 . 7 1 1 A 2 2 VAL CA C 2 61.103 59.683 1.420 1
1 12 . 7 1 1 A 2 2 VAL CB C 2 35.731 35.306 0.425 1
1 15 . 7 1 1 A 2 2 VAL N N 2 117.956 120.235 -2.279 1
1 16 . 7 1 1 A 3 3 ILE H H 3 8.439 8.906 -0.467 1
1 17 . 7 1 1 A 3 3 ILE HA H 3 4.498 4.866 -0.368 1
1 27 . 7 1 1 A 3 3 ILE CA C 3 60.172 59.631 0.541 1
1 28 . 7 1 1 A 3 3 ILE CB C 3 38.528 41.319 -2.791 1
1 32 . 7 1 1 A 3 3 ILE N N 3 125.643 126.576 -0.933 1
1 33 . 7 1 1 A 4 4 ILE H H 4 8.543 8.598 -0.055 1
1 34 . 7 1 1 A 4 4 ILE HA H 4 4.005 4.613 -0.608 1
1 44 . 7 1 1 A 4 4 ILE CA C 4 61.550 60.120 1.430 1
1 45 . 7 1 1 A 4 4 ILE CB C 4 38.038 38.513 -0.475 1
1 49 . 7 1 1 A 4 4 ILE N N 4 127.460 126.993 0.467 1
1 50 . 7 1 1 A 5 5 LYS H H 5 8.292 8.835 -0.543 1
1 51 . 7 1 1 A 5 5 LYS HA H 5 5.173 4.884 0.289 1
1 60 . 7 1 1 A 5 5 LYS CA C 5 53.276 53.087 0.189 1
1 61 . 7 1 1 A 5 5 LYS CB C 5 33.713 35.592 -1.879 1
1 65 . 7 1 1 A 5 5 LYS N N 5 126.677 125.013 1.664 1
1 66 . 7 1 1 A 6 6 PRO HA H 6 4.383 4.664 -0.281 1
1 73 . 7 1 1 A 6 6 PRO CA C 6 62.444 62.304 0.140 1
1 74 . 7 1 1 A 6 6 PRO CB C 6 32.018 33.361 -1.343 1
1 77 . 7 1 1 A 7 7 GLN H H 7 9.359 8.279 1.080 1
1 78 . 7 1 1 A 7 7 GLN HA H 7 4.406 4.492 -0.086 1
1 85 . 7 1 1 A 7 7 GLN CA C 7 56.357 55.219 1.138 1
1 86 . 7 1 1 A 7 7 GLN CB C 7 28.784 29.561 -0.777 1
1 88 . 7 1 1 A 7 7 GLN N N 7 119.975 116.351 3.624 1
1 90 . 7 1 1 A 8 8 VAL H H 8 7.032 7.429 -0.397 1
1 91 . 7 1 1 A 8 8 VAL HA H 8 4.486 4.632 -0.146 1
1 99 . 7 1 1 A 8 8 VAL CA C 8 58.874 59.041 -0.167 1
1 100 . 7 1 1 A 8 8 VAL CB C 8 35.169 35.972 -0.803 1
1 103 . 7 1 1 A 8 8 VAL N N 8 111.122 116.129 -5.007 1
1 104 . 7 1 1 A 9 9 SER H H 9 8.210 8.595 -0.385 1
1 105 . 7 1 1 A 9 9 SER HA H 9 4.957 4.935 0.022 1
1 108 . 7 1 1 A 9 9 SER CA C 9 56.585 57.032 -0.447 1
1 109 . 7 1 1 A 9 9 SER CB C 9 64.442 64.762 -0.320 1
1 110 . 7 1 1 A 9 9 SER N N 9 115.043 116.870 -1.827 1
1 111 . 7 1 1 A 10 10 GLY H H 10 8.003 7.637 0.366 1
1 112 . 7 1 1 A 10 10 GLY HA2 H 10 4.412 4.216 0.196 1
1 113 . 7 1 1 A 10 10 GLY HA3 H 10 3.645 4.223 -0.578 1
1 114 . 7 1 1 A 10 10 GLY CA C 10 45.292 45.806 -0.514 1
1 115 . 7 1 1 A 10 10 GLY N N 10 108.708 107.803 0.905 1
1 116 . 7 1 1 A 11 11 VAL H H 11 8.006 7.978 0.028 1
1 117 . 7 1 1 A 11 11 VAL HA H 11 4.743 4.832 -0.089 1
1 125 . 7 1 1 A 11 11 VAL CA C 11 60.539 60.734 -0.195 1
1 126 . 7 1 1 A 11 11 VAL CB C 11 34.951 35.621 -0.670 1
1 129 . 7 1 1 A 11 11 VAL N N 11 118.308 120.728 -2.420 1
1 130 . 7 1 1 A 12 12 ILE H H 12 8.459 8.570 -0.111 1
1 131 . 7 1 1 A 12 12 ILE HA H 12 4.050 4.351 -0.301 1
1 141 . 7 1 1 A 12 12 ILE CA C 12 60.287 62.302 -2.015 1
1 142 . 7 1 1 A 12 12 ILE CB C 12 35.650 38.082 -2.432 1
1 146 . 7 1 1 A 12 12 ILE N N 12 125.265 126.328 -1.063 1
1 147 . 7 1 1 A 13 13 VAL H H 13 8.908 9.483 -0.575 1
1 148 . 7 1 1 A 13 13 VAL HA H 13 4.500 4.196 0.304 1
1 156 . 7 1 1 A 13 13 VAL CA C 13 62.126 63.322 -1.196 1
1 157 . 7 1 1 A 13 13 VAL CB C 13 33.291 33.216 0.075 1
1 160 . 7 1 1 A 13 13 VAL N N 13 124.479 126.199 -1.720 1
1 161 . 7 1 1 A 14 14 ASN H H 14 7.653 7.579 0.074 1
1 162 . 7 1 1 A 14 14 ASN HA H 14 4.819 5.103 -0.284 1
1 167 . 7 1 1 A 14 14 ASN CA C 14 52.806 52.679 0.127 1
1 168 . 7 1 1 A 14 14 ASN CB C 14 41.978 41.847 0.131 1
1 169 . 7 1 1 A 14 14 ASN N N 14 114.961 114.540 0.421 1
1 171 . 7 1 1 A 15 15 LYS H H 15 8.404 8.558 -0.154 1
1 172 . 7 1 1 A 15 15 LYS HA H 15 4.641 5.014 -0.373 1
1 179 . 7 1 1 A 15 15 LYS CA C 15 55.935 55.167 0.768 1
1 180 . 7 1 1 A 15 15 LYS CB C 15 35.274 34.126 1.148 1
1 183 . 7 1 1 A 15 15 LYS N N 15 123.768 121.173 2.595 1
1 184 . 7 1 1 A 16 16 LEU H H 16 8.020 8.749 -0.729 1
1 185 . 7 1 1 A 16 16 LEU HA H 16 4.611 4.438 0.173 1
1 195 . 7 1 1 A 16 16 LEU CA C 16 55.124 54.282 0.842 1
1 196 . 7 1 1 A 16 16 LEU CB C 16 41.308 39.755 1.553 1
1 200 . 7 1 1 A 16 16 LEU N N 16 126.162 127.041 -0.879 1
1 201 . 7 1 1 A 17 17 PHE H H 17 6.573 7.842 -1.269 1
1 202 . 7 1 1 A 17 17 PHE HA H 17 4.862 5.103 -0.241 1
1 207 . 7 1 1 A 17 17 PHE CA C 17 55.528 55.608 -0.080 1
1 208 . 7 1 1 A 17 17 PHE CB C 17 41.093 41.910 -0.817 1
1 209 . 7 1 1 A 17 17 PHE N N 17 113.628 116.386 -2.758 1
1 210 . 7 1 1 A 18 18 LYS H H 18 8.655 8.420 0.235 1
1 211 . 7 1 1 A 18 18 LYS HA H 18 4.333 4.418 -0.085 1
1 220 . 7 1 1 A 18 18 LYS CA C 18 54.277 53.997 0.280 1
1 221 . 7 1 1 A 18 18 LYS CB C 18 35.134 36.033 -0.899 1
1 225 . 7 1 1 A 18 18 LYS N N 18 120.572 118.586 1.986 1
1 226 . 7 1 1 A 19 19 ALA H H 19 8.407 8.264 0.143 1
1 227 . 7 1 1 A 19 19 ALA HA H 19 3.962 4.772 -0.810 1
1 231 . 7 1 1 A 19 19 ALA CA C 19 53.980 52.436 1.544 1
1 232 . 7 1 1 A 19 19 ALA CB C 19 18.497 19.336 -0.839 1
1 233 . 7 1 1 A 19 19 ALA N N 19 123.842 124.915 -1.073 1
1 234 . 7 1 1 A 20 20 GLY H H 20 8.814 8.775 0.039 1
1 235 . 7 1 1 A 20 20 GLY HA2 H 20 4.313 3.926 0.387 1
1 236 . 7 1 1 A 20 20 GLY HA3 H 20 3.532 3.946 -0.414 1
1 237 . 7 1 1 A 20 20 GLY CA C 20 45.045 45.577 -0.532 1
1 238 . 7 1 1 A 20 20 GLY N N 20 112.434 111.674 0.760 1
1 239 . 7 1 1 A 21 21 ASP H H 21 7.933 7.991 -0.058 1
1 240 . 7 1 1 A 21 21 ASP HA H 21 4.499 5.008 -0.509 1
1 243 . 7 1 1 A 21 21 ASP CA C 21 55.383 52.906 2.477 1
1 244 . 7 1 1 A 21 21 ASP CB C 21 41.067 43.430 -2.363 1
1 245 . 7 1 1 A 21 21 ASP N N 21 121.505 120.386 1.119 1
1 246 . 7 1 1 A 22 22 LYS H H 22 8.311 8.201 0.110 1
1 247 . 7 1 1 A 22 22 LYS HA H 22 4.871 4.807 0.064 1
1 256 . 7 1 1 A 22 22 LYS CA C 22 55.659 56.000 -0.341 1
1 257 . 7 1 1 A 22 22 LYS CB C 22 31.820 33.170 -1.350 1
1 261 . 7 1 1 A 22 22 LYS N N 22 120.225 119.048 1.177 1
1 262 . 7 1 1 A 23 23 VAL H H 23 8.935 9.183 -0.248 1
1 263 . 7 1 1 A 23 23 VAL HA H 23 4.841 4.862 -0.021 1
1 271 . 7 1 1 A 23 23 VAL CA C 23 58.502 60.571 -2.069 1
1 272 . 7 1 1 A 23 23 VAL CB C 23 34.507 34.032 0.475 1
1 275 . 7 1 1 A 23 23 VAL N N 23 117.700 123.670 -5.970 1
1 276 . 7 1 1 A 24 24 LYS H H 24 7.960 8.792 -0.832 1
1 277 . 7 1 1 A 24 24 LYS HA H 24 4.838 5.189 -0.351 1
1 286 . 7 1 1 A 24 24 LYS CA C 24 53.195 54.222 -1.027 1
1 287 . 7 1 1 A 24 24 LYS CB C 24 35.213 36.166 -0.953 1
1 291 . 7 1 1 A 24 24 LYS N N 24 121.958 124.632 -2.674 1
1 292 . 7 1 1 A 25 25 LYS H H 25 8.915 8.702 0.213 1
1 293 . 7 1 1 A 25 25 LYS HA H 25 3.156 3.885 -0.729 1
1 300 . 7 1 1 A 25 25 LYS CA C 25 58.648 58.529 0.119 1
1 301 . 7 1 1 A 25 25 LYS CB C 25 32.648 32.072 0.576 1
1 304 . 7 1 1 A 25 25 LYS N N 25 121.653 125.227 -3.574 1
1 305 . 7 1 1 A 26 26 GLY H H 26 8.900 8.760 0.140 1
1 306 . 7 1 1 A 26 26 GLY HA2 H 26 4.283 3.931 0.352 1
1 307 . 7 1 1 A 26 26 GLY HA3 H 26 3.471 3.938 -0.467 1
1 308 . 7 1 1 A 26 26 GLY CA C 26 45.263 45.488 -0.225 1
1 309 . 7 1 1 A 26 26 GLY N N 26 115.268 112.612 2.656 1
1 310 . 7 1 1 A 27 27 GLN H H 27 8.433 8.102 0.331 1
1 311 . 7 1 1 A 27 27 GLN HA H 27 4.141 4.411 -0.270 1
1 318 . 7 1 1 A 27 27 GLN CA C 27 56.324 55.648 0.676 1
1 319 . 7 1 1 A 27 27 GLN CB C 27 30.520 29.705 0.815 1
1 321 . 7 1 1 A 27 27 GLN N N 27 123.155 120.902 2.253 1
1 323 . 7 1 1 A 28 28 THR H H 28 9.110 8.949 0.161 1
1 324 . 7 1 1 A 28 28 THR HA H 28 3.893 4.180 -0.287 1
1 329 . 7 1 1 A 28 28 THR CA C 28 65.828 64.212 1.616 1
1 330 . 7 1 1 A 28 28 THR CB C 28 68.581 69.194 -0.613 1
1 332 . 7 1 1 A 28 28 THR N N 28 124.748 121.531 3.217 1
1 333 . 7 1 1 A 29 29 LEU H H 29 9.509 8.753 0.756 1
1 334 . 7 1 1 A 29 29 LEU HA H 29 4.383 4.713 -0.330 1
1 344 . 7 1 1 A 29 29 LEU CA C 29 55.795 55.453 0.342 1
1 345 . 7 1 1 A 29 29 LEU CB C 29 44.572 44.386 0.186 1
1 349 . 7 1 1 A 29 29 LEU N N 29 125.873 126.401 -0.528 1
1 350 . 7 1 1 A 30 30 PHE H H 30 7.579 7.576 0.003 1
1 351 . 7 1 1 A 30 30 PHE HA H 30 5.367 5.312 0.055 1
1 359 . 7 1 1 A 30 30 PHE CA C 30 55.486 55.989 -0.503 1
1 360 . 7 1 1 A 30 30 PHE CB C 30 44.887 43.142 1.745 1
1 361 . 7 1 1 A 30 30 PHE N N 30 111.134 115.164 -4.030 1
1 362 . 7 1 1 A 31 31 ILE H H 31 7.858 8.627 -0.769 1
1 363 . 7 1 1 A 31 31 ILE HA H 31 4.817 4.949 -0.132 1
1 373 . 7 1 1 A 31 31 ILE CA C 31 60.063 59.887 0.176 1
1 374 . 7 1 1 A 31 31 ILE CB C 31 39.395 42.406 -3.011 1
1 378 . 7 1 1 A 31 31 ILE N N 31 119.416 119.635 -0.219 1
1 379 . 7 1 1 A 32 32 ILE H H 32 9.107 8.665 0.442 1
1 380 . 7 1 1 A 32 32 ILE HA H 32 4.842 4.976 -0.134 1
1 390 . 7 1 1 A 32 32 ILE CA C 32 59.002 59.895 -0.893 1
1 391 . 7 1 1 A 32 32 ILE CB C 32 42.048 42.416 -0.368 1
1 395 . 7 1 1 A 32 32 ILE N N 32 127.892 125.668 2.224 1
1 396 . 7 1 1 A 33 33 GLU H H 33 9.095 9.116 -0.021 1
1 397 . 7 1 1 A 33 33 GLU HA H 33 4.642 4.876 -0.234 1
1 402 . 7 1 1 A 33 33 GLU CA C 33 54.985 54.379 0.606 1
1 403 . 7 1 1 A 33 33 GLU CB C 33 31.672 31.380 0.292 1
1 405 . 7 1 1 A 33 33 GLU N N 33 128.157 126.891 1.266 1
1 406 . 7 1 1 A 34 34 GLN H H 34 8.725 8.210 0.515 1
1 407 . 7 1 1 A 34 34 GLN HA H 34 4.354 4.381 -0.027 1
1 414 . 7 1 1 A 34 34 GLN CA C 34 56.807 56.763 0.044 1
1 415 . 7 1 1 A 34 34 GLN CB C 34 30.119 29.774 0.345 1
1 417 . 7 1 1 A 34 34 GLN N N 34 128.123 126.561 1.562 1
1 419 . 7 1 1 A 35 35 ASP H H 35 8.524 9.112 -0.588 1
1 420 . 7 1 1 A 35 35 ASP HA H 35 4.609 5.011 -0.402 1
1 423 . 7 1 1 A 35 35 ASP CA C 35 54.226 53.328 0.898 1
1 424 . 7 1 1 A 35 35 ASP CB C 35 41.429 41.386 0.043 1
1 425 . 7 1 1 A 35 35 ASP N N 35 122.485 118.648 3.837 1
1 426 . 7 1 1 A 36 36 GLN H H 36 8.576 7.674 0.902 1
1 427 . 7 1 1 A 36 36 GLN HA H 36 4.041 4.481 -0.440 1
1 434 . 7 1 1 A 36 36 GLN CA C 36 56.662 55.525 1.137 1
1 435 . 7 1 1 A 36 36 GLN CB C 36 29.166 29.979 -0.813 1
1 437 . 7 1 1 A 36 36 GLN N N 36 123.321 120.810 2.511 1
1 439 . 7 1 1 A 37 37 ALA H H 37 8.322 8.889 -0.567 1
1 440 . 7 1 1 A 37 37 ALA HA H 37 4.232 4.011 0.221 1
1 444 . 7 1 1 A 37 37 ALA CA C 37 53.231 55.038 -1.807 1
1 445 . 7 1 1 A 37 37 ALA CB C 37 19.020 18.329 0.691 1
1 446 . 7 1 1 A 37 37 ALA N N 37 123.086 123.957 -0.871 1
1 447 . 7 1 1 A 38 38 SER H H 38 7.919 8.266 -0.347 1
1 448 . 7 1 1 A 38 38 SER HA H 38 4.283 4.334 -0.051 1
1 451 . 7 1 1 A 38 38 SER CA C 38 58.884 61.171 -2.287 1
1 452 . 7 1 1 A 38 38 SER CB C 38 63.835 62.763 1.072 1
1 453 . 7 1 1 A 38 38 SER N N 38 113.578 112.293 1.285 1
1 454 . 7 1 1 A 39 39 LYS H H 39 8.153 7.967 0.186 1
1 455 . 7 1 1 A 39 39 LYS HA H 39 4.140 4.181 -0.041 1
1 463 . 7 1 1 A 39 39 LYS CA C 39 57.127 58.508 -1.381 1
1 464 . 7 1 1 A 39 39 LYS CB C 39 32.812 32.752 0.060 1
1 468 . 7 1 1 A 39 39 LYS N N 39 122.651 122.063 0.588 1
1 469 . 7 1 1 A 40 40 ASP H H 40 8.100 8.163 -0.063 1
1 470 . 7 1 1 A 40 40 ASP HA H 40 4.532 4.329 0.203 1
1 473 . 7 1 1 A 40 40 ASP CA C 40 54.376 56.995 -2.619 1
1 474 . 7 1 1 A 40 40 ASP CB C 40 41.245 40.903 0.342 1
1 475 . 7 1 1 A 40 40 ASP N N 40 119.441 120.065 -0.624 1
1 476 . 7 1 1 A 41 41 PHE H H 41 7.924 7.716 0.208 1
1 477 . 7 1 1 A 41 41 PHE HA H 41 4.384 4.352 0.032 1
1 484 . 7 1 1 A 41 41 PHE CA C 41 58.704 60.455 -1.751 1
1 485 . 7 1 1 A 41 41 PHE CB C 41 39.397 40.395 -0.998 1
1 486 . 7 1 1 A 41 41 PHE N N 41 121.124 121.352 -0.228 1
1 487 . 7 1 1 A 42 42 ASN H H 42 8.311 7.855 0.456 1
1 488 . 7 1 1 A 42 42 ASN HA H 42 4.523 4.843 -0.320 1
1 492 . 7 1 1 A 42 42 ASN CA C 42 53.133 54.469 -1.336 1
1 493 . 7 1 1 A 42 42 ASN CB C 42 38.801 39.543 -0.742 1
1 494 . 7 1 1 A 42 42 ASN N N 42 120.181 115.196 4.985 1
1 496 . 7 1 1 A 43 43 ARG H H 43 8.133 7.946 0.187 1
1 497 . 7 1 1 A 43 43 ARG HA H 43 4.115 4.016 0.099 1
1 504 . 7 1 1 A 43 43 ARG CA C 43 57.051 57.945 -0.894 1
1 505 . 7 1 1 A 43 43 ARG CB C 43 30.514 29.720 0.794 1
1 508 . 7 1 1 A 43 43 ARG N N 43 121.727 120.018 1.709 1
1 509 . 7 1 1 A 44 44 SER H H 44 8.174 8.777 -0.603 1
1 510 . 7 1 1 A 44 44 SER HA H 44 4.286 4.442 -0.156 1
1 513 . 7 1 1 A 44 44 SER CA C 44 59.344 58.342 1.002 1
1 514 . 7 1 1 A 44 44 SER CB C 44 63.357 63.097 0.260 1
1 515 . 7 1 1 A 44 44 SER N N 44 115.718 114.206 1.512 1
1 516 . 7 1 1 A 45 45 LYS H H 45 7.963 8.598 -0.635 1
1 517 . 7 1 1 A 45 45 LYS HA H 45 4.123 4.365 -0.242 1
1 526 . 7 1 1 A 45 45 LYS CA C 45 56.866 57.895 -1.029 1
1 527 . 7 1 1 A 45 45 LYS CB C 45 32.777 33.198 -0.421 1
1 530 . 7 1 1 A 45 45 LYS N N 45 122.326 120.733 1.593 1
1 531 . 7 1 1 A 46 46 ALA H H 46 7.965 7.946 0.019 1
1 532 . 7 1 1 A 46 46 ALA HA H 46 4.165 4.624 -0.459 1
1 536 . 7 1 1 A 46 46 ALA CA C 46 52.999 50.621 2.378 1
1 537 . 7 1 1 A 46 46 ALA CB C 46 18.944 20.721 -1.777 1
1 538 . 7 1 1 A 46 46 ALA N N 46 123.536 119.895 3.641 1
1 539 . 7 1 1 A 47 47 LEU H H 47 7.898 8.757 -0.859 1
1 540 . 7 1 1 A 47 47 LEU HA H 47 4.158 4.037 0.121 1
1 550 . 7 1 1 A 47 47 LEU CA C 47 55.583 55.402 0.181 1
1 551 . 7 1 1 A 47 47 LEU CB C 47 42.404 40.722 1.682 1
1 555 . 7 1 1 A 47 47 LEU N N 47 119.914 116.184 3.730 1
1 556 . 7 1 1 A 48 48 PHE H H 48 7.981 8.636 -0.655 1
1 557 . 7 1 1 A 48 48 PHE HA H 48 4.539 4.981 -0.442 1
1 564 . 7 1 1 A 48 48 PHE CA C 48 58.033 56.027 2.006 1
1 565 . 7 1 1 A 48 48 PHE CB C 48 39.470 39.387 0.083 1
1 566 . 7 1 1 A 48 48 PHE N N 48 119.602 122.370 -2.768 1
1 567 . 7 1 1 A 49 49 SER H H 49 8.028 8.471 -0.443 1
1 568 . 7 1 1 A 49 49 SER HA H 49 4.332 4.835 -0.503 1
1 571 . 7 1 1 A 49 49 SER CA C 49 58.581 57.374 1.207 1
1 572 . 7 1 1 A 49 49 SER CB C 49 63.866 65.151 -1.285 1
1 573 . 7 1 1 A 49 49 SER N N 49 116.270 120.013 -3.743 1
1 574 . 7 1 1 A 50 50 GLN H H 50 8.266 9.066 -0.800 1
1 575 . 7 1 1 A 50 50 GLN HA H 50 4.257 4.029 0.228 1
1 582 . 7 1 1 A 50 50 GLN CA C 50 56.435 58.600 -2.165 1
1 583 . 7 1 1 A 50 50 GLN CB C 50 29.204 28.195 1.009 1
1 585 . 7 1 1 A 50 50 GLN N N 50 121.931 126.507 -4.576 1
1 587 . 7 1 1 A 51 51 SER H H 51 8.147 7.979 0.168 1
1 588 . 7 1 1 A 51 51 SER HA H 51 4.338 4.079 0.259 1
1 591 . 7 1 1 A 51 51 SER CA C 51 58.645 61.298 -2.653 1
1 592 . 7 1 1 A 51 51 SER CB C 51 63.784 63.243 0.541 1
1 593 . 7 1 1 A 51 51 SER N N 51 115.676 114.679 0.997 1
1 594 . 7 1 1 A 52 52 ALA H H 52 8.175 7.790 0.385 1
1 595 . 7 1 1 A 52 52 ALA HA H 52 4.265 4.243 0.022 1
1 599 . 7 1 1 A 52 52 ALA CA C 52 53.031 54.535 -1.504 1
1 600 . 7 1 1 A 52 52 ALA CB C 52 18.941 19.494 -0.553 1
1 601 . 7 1 1 A 52 52 ALA N N 52 125.360 121.037 4.323 1
1 602 . 7 1 1 A 53 53 ILE H H 53 7.870 7.175 0.695 1
1 603 . 7 1 1 A 53 53 ILE HA H 53 4.099 4.687 -0.588 1
1 613 . 7 1 1 A 53 53 ILE CA C 53 61.558 58.889 2.669 1
1 614 . 7 1 1 A 53 53 ILE CB C 53 38.851 41.201 -2.350 1
1 618 . 7 1 1 A 53 53 ILE N N 53 118.231 113.500 4.731 1
1 619 . 7 1 1 A 54 54 SER H H 54 8.159 8.752 -0.593 1
1 620 . 7 1 1 A 54 54 SER HA H 54 4.384 4.608 -0.224 1
1 623 . 7 1 1 A 54 54 SER CA C 54 58.551 57.367 1.184 1
1 624 . 7 1 1 A 54 54 SER CB C 54 63.964 62.394 1.570 1
1 625 . 7 1 1 A 54 54 SER N N 54 118.588 120.584 -1.996 1
1 626 . 7 1 1 A 55 55 GLN H H 55 8.301 8.421 -0.120 1
1 627 . 7 1 1 A 55 55 GLN HA H 55 4.214 4.003 0.211 1
1 634 . 7 1 1 A 55 55 GLN CA C 55 56.547 59.160 -2.613 1
1 635 . 7 1 1 A 55 55 GLN CB C 55 29.292 28.449 0.843 1
1 637 . 7 1 1 A 55 55 GLN N N 55 122.173 127.436 -5.263 1
1 639 . 7 1 1 A 56 56 LYS H H 56 8.163 8.691 -0.528 1
1 640 . 7 1 1 A 56 56 LYS HA H 56 4.177 4.146 0.031 1
1 647 . 7 1 1 A 56 56 LYS CA C 56 56.978 58.931 -1.953 1
1 648 . 7 1 1 A 56 56 LYS CB C 56 32.855 32.222 0.633 1
1 651 . 7 1 1 A 56 56 LYS N N 56 121.126 117.430 3.696 1
1 652 . 7 1 1 A 57 57 GLU H H 57 8.211 8.494 -0.283 1
1 653 . 7 1 1 A 57 57 GLU HA H 57 4.151 4.519 -0.368 1
1 658 . 7 1 1 A 57 57 GLU CA C 57 57.058 56.248 0.810 1
1 659 . 7 1 1 A 57 57 GLU CB C 57 30.211 31.049 -0.838 1
1 661 . 7 1 1 A 57 57 GLU N N 57 120.615 118.127 2.488 1
1 662 . 7 1 1 A 58 58 TYR H H 58 8.070 7.725 0.345 1
1 663 . 7 1 1 A 58 58 TYR HA H 58 4.375 5.145 -0.770 1
1 670 . 7 1 1 A 58 58 TYR CA C 58 58.570 56.518 2.052 1
1 671 . 7 1 1 A 58 58 TYR CB C 58 38.962 43.671 -4.709 1
1 672 . 7 1 1 A 58 58 TYR N N 58 120.822 118.859 1.963 1
1 673 . 7 1 1 A 59 59 ASP H H 59 8.146 9.148 -1.002 1
1 674 . 7 1 1 A 59 59 ASP HA H 59 4.492 5.174 -0.682 1
1 677 . 7 1 1 A 59 59 ASP CA C 59 54.396 53.285 1.111 1
1 678 . 7 1 1 A 59 59 ASP CB C 59 41.086 45.168 -4.082 1
1 679 . 7 1 1 A 59 59 ASP N N 59 122.551 120.822 1.729 1
1 680 . 7 1 1 A 60 60 SER H H 60 8.253 8.988 -0.735 1
1 681 . 7 1 1 A 60 60 SER HA H 60 4.260 4.175 0.085 1
1 684 . 7 1 1 A 60 60 SER CA C 60 59.533 60.671 -1.138 1
1 685 . 7 1 1 A 60 60 SER CB C 60 63.422 62.924 0.498 1
1 686 . 7 1 1 A 60 60 SER N N 60 117.657 118.439 -0.782 1
1 687 . 7 1 1 A 61 61 SER H H 61 8.344 8.106 0.238 1
1 688 . 7 1 1 A 61 61 SER HA H 61 4.307 4.265 0.042 1
1 691 . 7 1 1 A 61 61 SER CA C 61 59.755 62.028 -2.273 1
1 692 . 7 1 1 A 61 61 SER CB C 61 63.582 63.046 0.536 1
1 693 . 7 1 1 A 61 61 SER N N 61 118.129 119.307 -1.178 1
1 694 . 7 1 1 A 62 62 LEU H H 62 7.759 7.772 -0.013 1
1 695 . 7 1 1 A 62 62 LEU HA H 62 4.234 4.553 -0.319 1
1 705 . 7 1 1 A 62 62 LEU CA C 62 55.464 54.744 0.720 1
1 706 . 7 1 1 A 62 62 LEU CB C 62 42.238 41.995 0.243 1
1 710 . 7 1 1 A 62 62 LEU N N 62 122.627 115.090 7.537 1
1 711 . 7 1 1 A 63 63 ALA H H 63 7.919 7.655 0.264 1
1 712 . 7 1 1 A 63 63 ALA HA H 63 4.276 4.566 -0.290 1
1 716 . 7 1 1 A 63 63 ALA CA C 63 52.922 51.183 1.739 1
1 717 . 7 1 1 A 63 63 ALA CB C 63 19.221 19.481 -0.260 1
1 718 . 7 1 1 A 63 63 ALA N N 63 123.444 122.551 0.893 1
1 719 . 7 1 1 A 64 64 THR H H 64 7.890 8.234 -0.344 1
1 720 . 7 1 1 A 64 64 THR HA H 64 4.217 4.910 -0.693 1
1 725 . 7 1 1 A 64 64 THR CA C 64 61.787 61.283 0.504 1
1 726 . 7 1 1 A 64 64 THR CB C 64 69.719 70.746 -1.027 1
1 728 . 7 1 1 A 64 64 THR N N 64 112.279 110.581 1.698 1
1 729 . 7 1 1 A 65 65 LEU H H 65 8.009 8.566 -0.557 1
1 730 . 7 1 1 A 65 65 LEU HA H 65 4.295 4.525 -0.230 1
1 740 . 7 1 1 A 65 65 LEU CA C 65 55.345 54.851 0.494 1
1 741 . 7 1 1 A 65 65 LEU CB C 65 42.412 41.444 0.968 1
1 745 . 7 1 1 A 65 65 LEU N N 65 123.586 119.616 3.970 1
1 746 . 7 1 1 A 66 66 ASP H H 66 8.288 7.775 0.513 1
1 747 . 7 1 1 A 66 66 ASP HA H 66 4.564 4.448 0.116 1
1 750 . 7 1 1 A 66 66 ASP CA C 66 54.676 55.173 -0.497 1
1 751 . 7 1 1 A 66 66 ASP CB C 66 41.376 40.784 0.592 1
1 752 . 7 1 1 A 66 66 ASP N N 66 120.344 121.827 -1.483 1
1 753 . 7 1 1 A 67 67 HIS H H 67 8.058 8.809 -0.751 1
1 754 . 7 1 1 A 67 67 HIS HA H 67 5.247 4.881 0.366 1
1 758 . 7 1 1 A 67 67 HIS CA C 67 55.260 56.361 -1.101 1
1 759 . 7 1 1 A 67 67 HIS CB C 67 31.974 31.284 0.690 1
1 760 . 7 1 1 A 67 67 HIS N N 67 119.406 121.177 -1.771 1
1 761 . 7 1 1 A 68 68 THR H H 68 8.919 9.318 -0.399 1
1 762 . 7 1 1 A 68 68 THR HA H 68 4.484 5.070 -0.586 1
1 767 . 7 1 1 A 68 68 THR CA C 68 62.542 59.945 2.597 1
1 768 . 7 1 1 A 68 68 THR CB C 68 71.067 70.923 0.144 1
1 770 . 7 1 1 A 68 68 THR N N 68 117.233 115.140 2.093 1
1 771 . 7 1 1 A 69 69 GLU H H 69 8.649 8.886 -0.237 1
1 772 . 7 1 1 A 69 69 GLU HA H 69 4.703 4.694 0.009 1
1 777 . 7 1 1 A 69 69 GLU CA C 69 55.886 55.761 0.125 1
1 778 . 7 1 1 A 69 69 GLU CB C 69 31.746 30.402 1.344 1
1 780 . 7 1 1 A 69 69 GLU N N 69 124.187 126.546 -2.359 1
1 781 . 7 1 1 A 70 70 ILE H H 70 8.601 8.915 -0.314 1
1 782 . 7 1 1 A 70 70 ILE HA H 70 4.405 4.506 -0.101 1
1 792 . 7 1 1 A 70 70 ILE CA C 70 59.234 61.199 -1.965 1
1 793 . 7 1 1 A 70 70 ILE CB C 70 37.318 36.708 0.610 1
1 797 . 7 1 1 A 70 70 ILE N N 70 123.482 126.682 -3.200 1
1 798 . 7 1 1 A 71 71 LYS H H 71 8.926 7.819 1.107 1
1 799 . 7 1 1 A 71 71 LYS HA H 71 5.078 4.835 0.243 1
1 806 . 7 1 1 A 71 71 LYS CA C 71 54.584 55.657 -1.073 1
1 807 . 7 1 1 A 71 71 LYS CB C 71 36.281 33.804 2.477 1
1 810 . 7 1 1 A 71 71 LYS N N 71 128.267 126.184 2.083 1
1 811 . 7 1 1 A 72 72 ALA H H 72 8.633 8.585 0.048 1
1 812 . 7 1 1 A 72 72 ALA HA H 72 4.067 4.368 -0.301 1
1 816 . 7 1 1 A 72 72 ALA CA C 72 49.967 50.922 -0.955 1
1 817 . 7 1 1 A 72 72 ALA CB C 72 17.255 17.753 -0.498 1
1 818 . 7 1 1 A 72 72 ALA N N 72 123.088 123.987 -0.899 1
1 819 . 7 1 1 A 73 73 PRO HA H 73 4.333 4.422 -0.089 1
1 826 . 7 1 1 A 73 73 PRO CA C 73 63.716 64.407 -0.691 1
1 827 . 7 1 1 A 73 73 PRO CB C 73 31.915 32.039 -0.124 1
1 830 . 7 1 1 A 74 74 PHE H H 74 6.768 6.904 -0.136 1
1 831 . 7 1 1 A 74 74 PHE HA H 74 4.421 4.841 -0.420 1
1 838 . 7 1 1 A 74 74 PHE CA C 74 54.396 56.454 -2.058 1
1 839 . 7 1 1 A 74 74 PHE CB C 74 40.697 40.629 0.068 1
1 840 . 7 1 1 A 74 74 PHE N N 74 112.022 112.337 -0.315 1
1 841 . 7 1 1 A 75 75 ASP H H 75 8.583 8.865 -0.282 1
1 842 . 7 1 1 A 75 75 ASP HA H 75 4.922 4.535 0.387 1
1 845 . 7 1 1 A 75 75 ASP CA C 75 53.873 54.827 -0.954 1
1 846 . 7 1 1 A 75 75 ASP CB C 75 40.839 41.454 -0.615 1
1 847 . 7 1 1 A 75 75 ASP N N 75 118.252 120.439 -2.187 1
1 848 . 7 1 1 A 76 76 GLY H H 76 8.348 8.149 0.199 1
1 849 . 7 1 1 A 76 76 GLY HA2 H 76 4.236 4.315 -0.079 1
1 850 . 7 1 1 A 76 76 GLY HA3 H 76 4.075 4.350 -0.275 1
1 851 . 7 1 1 A 76 76 GLY CA C 76 46.639 45.860 0.779 1
1 852 . 7 1 1 A 76 76 GLY N N 76 108.729 107.107 1.622 1
1 853 . 7 1 1 A 77 77 THR H H 77 8.623 8.390 0.233 1
1 854 . 7 1 1 A 77 77 THR HA H 77 4.975 5.171 -0.196 1
1 859 . 7 1 1 A 77 77 THR CA C 77 61.752 61.414 0.338 1
1 860 . 7 1 1 A 77 77 THR CB C 77 70.121 71.201 -1.080 1
1 862 . 7 1 1 A 77 77 THR N N 77 116.400 116.200 0.200 1
1 863 . 7 1 1 A 78 78 ILE H H 78 8.824 8.764 0.060 1
1 864 . 7 1 1 A 78 78 ILE HA H 78 4.673 5.038 -0.365 1
1 874 . 7 1 1 A 78 78 ILE CA C 78 60.164 59.382 0.782 1
1 875 . 7 1 1 A 78 78 ILE CB C 78 42.973 41.130 1.843 1
1 879 . 7 1 1 A 78 78 ILE N N 78 129.310 128.576 0.734 1
1 880 . 7 1 1 A 79 79 GLY H H 79 8.060 8.424 -0.364 1
1 881 . 7 1 1 A 79 79 GLY HA2 H 79 4.404 4.164 0.240 1
1 882 . 7 1 1 A 79 79 GLY HA3 H 79 3.775 4.164 -0.389 1
1 883 . 7 1 1 A 79 79 GLY CA C 79 44.149 44.644 -0.495 1
1 884 . 7 1 1 A 79 79 GLY N N 79 114.539 115.974 -1.435 1
1 885 . 7 1 1 A 80 80 ASP H H 80 7.804 8.499 -0.695 1
1 886 . 7 1 1 A 80 80 ASP HA H 80 4.703 5.403 -0.700 1
1 889 . 7 1 1 A 80 80 ASP CA C 80 53.703 53.204 0.499 1
1 890 . 7 1 1 A 80 80 ASP CB C 80 41.918 42.455 -0.537 1
1 891 . 7 1 1 A 80 80 ASP N N 80 113.688 119.309 -5.621 1
1 892 . 7 1 1 A 81 81 ALA H H 81 8.566 9.133 -0.567 1
1 893 . 7 1 1 A 81 81 ALA HA H 81 4.571 4.709 -0.138 1
1 897 . 7 1 1 A 81 81 ALA CA C 81 53.312 52.919 0.393 1
1 898 . 7 1 1 A 81 81 ALA CB C 81 20.381 19.660 0.721 1
1 899 . 7 1 1 A 81 81 ALA N N 81 124.136 124.364 -0.228 1
1 900 . 7 1 1 A 82 82 LEU H H 82 8.747 9.069 -0.322 1
1 901 . 7 1 1 A 82 82 LEU HA H 82 4.345 4.481 -0.136 1
1 910 . 7 1 1 A 82 82 LEU CA C 82 55.210 55.854 -0.644 1
1 911 . 7 1 1 A 82 82 LEU CB C 82 41.457 43.091 -1.634 1
1 914 . 7 1 1 A 82 82 LEU N N 82 121.773 122.064 -0.291 1
1 915 . 7 1 1 A 83 83 VAL H H 83 7.141 7.395 -0.254 1
1 916 . 7 1 1 A 83 83 VAL HA H 83 4.496 4.721 -0.225 1
1 924 . 7 1 1 A 83 83 VAL CA C 83 58.502 59.832 -1.330 1
1 925 . 7 1 1 A 83 83 VAL CB C 83 35.229 34.688 0.541 1
1 928 . 7 1 1 A 83 83 VAL N N 83 108.169 114.129 -5.960 1
1 929 . 7 1 1 A 84 84 ASN H H 84 9.076 8.747 0.329 1
1 930 . 7 1 1 A 84 84 ASN HA H 84 4.887 5.262 -0.375 1
1 935 . 7 1 1 A 84 84 ASN CA C 84 51.248 51.859 -0.611 1
1 936 . 7 1 1 A 84 84 ASN CB C 84 41.989 41.518 0.471 1
1 937 . 7 1 1 A 84 84 ASN N N 84 119.502 118.550 0.952 1
1 939 . 7 1 1 A 85 85 ILE H H 85 8.404 8.425 -0.021 1
1 940 . 7 1 1 A 85 85 ILE HA H 85 3.393 4.136 -0.743 1
1 950 . 7 1 1 A 85 85 ILE CA C 85 63.873 62.559 1.314 1
1 951 . 7 1 1 A 85 85 ILE CB C 85 37.146 38.654 -1.508 1
1 955 . 7 1 1 A 85 85 ILE N N 85 119.409 121.467 -2.058 1
1 956 . 7 1 1 A 86 86 GLY H H 86 9.239 8.622 0.617 1
1 957 . 7 1 1 A 86 86 GLY HA2 H 86 4.401 3.898 0.503 1
1 958 . 7 1 1 A 86 86 GLY HA3 H 86 3.411 3.904 -0.493 1
1 959 . 7 1 1 A 86 86 GLY CA C 86 44.869 45.878 -1.009 1
1 960 . 7 1 1 A 86 86 GLY N N 86 117.321 115.561 1.760 1
1 961 . 7 1 1 A 87 87 ASP H H 87 7.968 8.156 -0.188 1
1 962 . 7 1 1 A 87 87 ASP HA H 87 4.607 4.911 -0.304 1
1 965 . 7 1 1 A 87 87 ASP CA C 87 54.886 53.315 1.571 1
1 966 . 7 1 1 A 87 87 ASP CB C 87 40.771 42.682 -1.911 1
1 967 . 7 1 1 A 87 87 ASP N N 87 121.490 120.885 0.605 1
1 968 . 7 1 1 A 88 88 TYR H H 88 8.566 8.925 -0.359 1
1 969 . 7 1 1 A 88 88 TYR HA H 88 4.712 4.871 -0.159 1
1 976 . 7 1 1 A 88 88 TYR CA C 88 57.826 59.331 -1.505 1
1 977 . 7 1 1 A 88 88 TYR CB C 88 39.243 39.007 0.236 1
1 978 . 7 1 1 A 88 88 TYR N N 88 122.340 126.193 -3.853 1
1 979 . 7 1 1 A 89 89 VAL H H 89 8.951 8.752 0.199 1
1 980 . 7 1 1 A 89 89 VAL HA H 89 4.578 4.698 -0.120 1
1 988 . 7 1 1 A 89 89 VAL CA C 89 58.339 60.088 -1.749 1
1 989 . 7 1 1 A 89 89 VAL CB C 89 34.321 33.294 1.027 1
1 992 . 7 1 1 A 89 89 VAL N N 89 121.914 123.368 -1.454 1
1 993 . 7 1 1 A 90 90 SER H H 90 8.777 8.727 0.050 1
1 994 . 7 1 1 A 90 90 SER HA H 90 4.750 4.698 0.052 1
1 997 . 7 1 1 A 90 90 SER CA C 90 56.895 57.441 -0.546 1
1 998 . 7 1 1 A 90 90 SER CB C 90 64.866 62.460 2.406 1
1 999 . 7 1 1 A 90 90 SER N N 90 114.813 121.031 -6.218 1
1 1000 . 7 1 1 A 91 91 ALA H H 91 8.712 8.183 0.529 1
1 1001 . 7 1 1 A 91 91 ALA HA H 91 3.515 3.836 -0.321 1
1 1005 . 7 1 1 A 91 91 ALA CA C 91 53.317 54.008 -0.691 1
1 1006 . 7 1 1 A 91 91 ALA CB C 91 18.678 17.751 0.927 1
1 1007 . 7 1 1 A 91 91 ALA N N 91 129.870 125.686 4.184 1
1 1008 . 7 1 1 A 92 92 SER H H 92 9.170 8.761 0.409 1
1 1009 . 7 1 1 A 92 92 SER HA H 92 3.817 4.003 -0.186 1
1 1012 . 7 1 1 A 92 92 SER CA C 92 60.652 61.448 -0.796 1
1 1013 . 7 1 1 A 92 92 SER CB C 92 62.505 62.734 -0.229 1
1 1014 . 7 1 1 A 92 92 SER N N 92 113.294 113.085 0.209 1
1 1015 . 7 1 1 A 93 93 THR H H 93 7.816 7.352 0.464 1
1 1016 . 7 1 1 A 93 93 THR HA H 93 4.402 4.239 0.163 1
1 1021 . 7 1 1 A 93 93 THR CA C 93 64.378 64.087 0.291 1
1 1022 . 7 1 1 A 93 93 THR CB C 93 70.948 68.066 2.882 1
1 1024 . 7 1 1 A 93 93 THR N N 93 113.858 115.039 -1.181 1
1 1025 . 7 1 1 A 94 94 THR H H 94 7.702 7.677 0.025 1
1 1026 . 7 1 1 A 94 94 THR HA H 94 3.910 4.317 -0.407 1
1 1031 . 7 1 1 A 94 94 THR CA C 94 65.140 60.941 4.199 1
1 1032 . 7 1 1 A 94 94 THR CB C 94 70.001 67.339 2.662 1
1 1034 . 7 1 1 A 94 94 THR N N 94 119.588 115.023 4.565 1
1 1035 . 7 1 1 A 95 95 GLU H H 95 8.407 7.448 0.959 1
1 1036 . 7 1 1 A 95 95 GLU HA H 95 3.801 4.125 -0.324 1
1 1041 . 7 1 1 A 95 95 GLU CA C 95 56.613 56.744 -0.131 1
1 1042 . 7 1 1 A 95 95 GLU CB C 95 29.600 29.723 -0.123 1
1 1044 . 7 1 1 A 95 95 GLU N N 95 124.764 121.814 2.950 1
1 1045 . 7 1 1 A 96 96 LEU H H 96 8.750 8.635 0.115 1
1 1046 . 7 1 1 A 96 96 LEU HA H 96 4.260 4.438 -0.178 1
1 1056 . 7 1 1 A 96 96 LEU CA C 96 56.927 54.636 2.291 1
1 1057 . 7 1 1 A 96 96 LEU CB C 96 43.310 42.465 0.845 1
1 1061 . 7 1 1 A 96 96 LEU N N 96 120.035 121.240 -1.205 1
1 1062 . 7 1 1 A 97 97 VAL H H 97 7.053 7.194 -0.141 1
1 1063 . 7 1 1 A 97 97 VAL HA H 97 4.345 4.334 0.011 1
1 1071 . 7 1 1 A 97 97 VAL CA C 97 61.291 60.647 0.644 1
1 1072 . 7 1 1 A 97 97 VAL CB C 97 31.577 34.376 -2.799 1
1 1075 . 7 1 1 A 97 97 VAL N N 97 112.365 116.810 -4.445 1
1 1076 . 7 1 1 A 98 98 ARG H H 98 8.980 8.650 0.330 1
1 1077 . 7 1 1 A 98 98 ARG HA H 98 5.267 4.994 0.273 1
1 1084 . 7 1 1 A 98 98 ARG CA C 98 55.195 53.956 1.239 1
1 1085 . 7 1 1 A 98 98 ARG CB C 98 32.818 34.006 -1.188 1
1 1088 . 7 1 1 A 98 98 ARG N N 98 127.477 122.838 4.639 1
1 1089 . 7 1 1 A 99 99 VAL H H 99 8.887 8.715 0.172 1
1 1090 . 7 1 1 A 99 99 VAL HA H 99 4.556 5.180 -0.624 1
1 1095 . 7 1 1 A 99 99 VAL CA C 99 60.968 61.130 -0.162 1
1 1096 . 7 1 1 A 99 99 VAL CB C 99 34.186 34.088 0.098 1
1 1098 . 7 1 1 A 99 99 VAL N N 99 122.826 122.403 0.423 1
1 1099 . 7 1 1 A 100 100 THR H H 100 8.833 9.016 -0.183 1
1 1100 . 7 1 1 A 100 100 THR HA H 100 4.559 4.860 -0.301 1
1 1105 . 7 1 1 A 100 100 THR CA C 100 61.080 60.237 0.843 1
1 1106 . 7 1 1 A 100 100 THR CB C 100 70.669 71.639 -0.970 1
1 1108 . 7 1 1 A 100 100 THR N N 100 121.816 116.278 5.538 1
1 1109 . 7 1 1 A 101 101 ASN H H 101 8.153 9.313 -1.160 1
1 1110 . 7 1 1 A 101 101 ASN HA H 101 4.518 4.628 -0.110 1
1 1115 . 7 1 1 A 101 101 ASN CA C 101 54.238 54.951 -0.713 1
1 1116 . 7 1 1 A 101 101 ASN CB C 101 38.470 38.208 0.262 1
1 1117 . 7 1 1 A 101 101 ASN N N 101 122.733 118.600 4.133 1
1 1119 . 7 1 1 A 102 102 LEU H H 102 8.160 8.751 -0.591 1
1 1120 . 7 1 1 A 102 102 LEU HA H 102 4.245 4.277 -0.032 1
1 1130 . 7 1 1 A 102 102 LEU CA C 102 55.449 56.926 -1.477 1
1 1131 . 7 1 1 A 102 102 LEU CB C 102 42.549 41.803 0.746 1
1 1135 . 7 1 1 A 102 102 LEU N N 102 122.544 121.757 0.787 1
1 1136 . 7 1 1 A 103 103 ASN H H 103 8.405 8.354 0.051 1
1 1137 . 7 1 1 A 103 103 ASN HA H 103 4.867 4.733 0.134 1
1 1142 . 7 1 1 A 103 103 ASN CA C 103 51.316 51.218 0.098 1
1 1143 . 7 1 1 A 103 103 ASN CB C 103 39.049 38.614 0.435 1
1 1144 . 7 1 1 A 103 103 ASN N N 103 120.174 115.662 4.512 1
1 1146 . 7 1 1 A 104 104 PRO HA H 104 4.230 4.562 -0.332 1
1 1153 . 7 1 1 A 104 104 PRO CA C 104 63.559 62.394 1.165 1
1 1154 . 7 1 1 A 104 104 PRO CB C 104 32.102 31.335 0.767 1
1 1157 . 7 1 1 A 105 105 ILE H H 105 7.886 8.435 -0.549 1
1 1158 . 7 1 1 A 105 105 ILE HA H 105 3.941 4.117 -0.176 1
1 1168 . 7 1 1 A 105 105 ILE CA C 105 61.348 60.131 1.217 1
1 1169 . 7 1 1 A 105 105 ILE CB C 105 38.569 39.085 -0.516 1
1 1173 . 7 1 1 A 105 105 ILE N N 105 119.390 123.977 -4.587 1
1 1174 . 7 1 1 A 106 106 TYR H H 106 7.961 8.307 -0.346 1
1 1175 . 7 1 1 A 106 106 TYR HA H 106 4.536 4.756 -0.220 1
1 1182 . 7 1 1 A 106 106 TYR CA C 106 57.370 58.972 -1.602 1
1 1183 . 7 1 1 A 106 106 TYR CB C 106 38.889 40.602 -1.713 1
1 1184 . 7 1 1 A 106 106 TYR N N 106 123.172 126.316 -3.144 1
1 1185 . 7 1 1 A 107 107 ALA H H 107 8.128 7.611 0.517 1
1 1186 . 7 1 1 A 107 107 ALA HA H 107 4.217 4.173 0.044 1
1 1190 . 7 1 1 A 107 107 ALA CA C 107 52.724 53.251 -0.527 1
1 1191 . 7 1 1 A 107 107 ALA CB C 107 19.133 19.276 -0.143 1
1 1192 . 7 1 1 A 107 107 ALA N N 107 125.520 121.483 4.037 1
1 1193 . 7 1 1 A 108 108 ASP H H 108 8.147 8.872 -0.725 1
1 1194 . 7 1 1 A 108 108 ASP HA H 108 4.511 4.959 -0.448 1
1 1197 . 7 1 1 A 108 108 ASP CA C 108 54.342 53.309 1.033 1
1 1198 . 7 1 1 A 108 108 ASP CB C 108 41.240 40.650 0.590 1
1 1199 . 7 1 1 A 108 108 ASP N N 108 119.219 119.653 -0.434 1
1 1200 . 7 1 1 A 109 109 GLY H H 109 8.313 7.966 0.347 1
1 1201 . 7 1 1 A 109 109 GLY HA2 H 109 3.946 4.099 -0.153 1
1 1202 . 7 1 1 A 109 109 GLY HA3 H 109 3.848 4.117 -0.269 1
1 1203 . 7 1 1 A 109 109 GLY CA C 109 45.692 46.109 -0.417 1
1 1204 . 7 1 1 A 109 109 GLY N N 109 109.478 108.115 1.363 1
1 1205 . 7 1 1 A 110 110 SER H H 110 8.175 7.999 0.176 1
1 1206 . 7 1 1 A 110 110 SER HA H 110 4.286 4.005 0.281 1
1 1209 . 7 1 1 A 110 110 SER CA C 110 59.296 62.569 -3.273 1
1 1210 . 7 1 1 A 110 110 SER CB C 110 63.825 62.880 0.945 1
1 1211 . 7 1 1 A 110 110 SER N N 110 115.660 113.565 2.095 1
1 1212 . 7 1 1 A 111 111 HIS HA H 111 4.527 4.582 -0.055 1
1 1215 . 7 1 1 A 111 111 HIS CA C 111 56.109 56.419 -0.310 1
1 1216 . 7 1 1 A 111 111 HIS CB C 111 30.580 30.997 -0.417 1
1 1217 . 7 1 1 A 112 112 HIS HA H 112 4.535 4.024 0.511 1
1 1220 . 7 1 1 A 112 112 HIS CA C 112 57.411 56.926 0.485 1
1 1221 . 7 1 1 A 112 112 HIS CB C 112 30.756 28.343 2.413 1
1 2 . 8 1 1 A 2 2 VAL H H 2 8.613 7.258 1.355 1
1 3 . 8 1 1 A 2 2 VAL HA H 2 4.487 4.742 -0.255 1
1 11 . 8 1 1 A 2 2 VAL CA C 2 61.103 60.556 0.547 1
1 12 . 8 1 1 A 2 2 VAL CB C 2 35.731 35.965 -0.234 1
1 15 . 8 1 1 A 2 2 VAL N N 2 117.956 118.510 -0.554 1
1 16 . 8 1 1 A 3 3 ILE H H 3 8.439 8.747 -0.308 1
1 17 . 8 1 1 A 3 3 ILE HA H 3 4.498 4.535 -0.037 1
1 27 . 8 1 1 A 3 3 ILE CA C 3 60.172 60.105 0.067 1
1 28 . 8 1 1 A 3 3 ILE CB C 3 38.528 39.044 -0.516 1
1 32 . 8 1 1 A 3 3 ILE N N 3 125.643 126.553 -0.910 1
1 33 . 8 1 1 A 4 4 ILE H H 4 8.543 8.425 0.118 1
1 34 . 8 1 1 A 4 4 ILE HA H 4 4.005 4.428 -0.423 1
1 44 . 8 1 1 A 4 4 ILE CA C 4 61.550 60.564 0.986 1
1 45 . 8 1 1 A 4 4 ILE CB C 4 38.038 37.090 0.948 1
1 49 . 8 1 1 A 4 4 ILE N N 4 127.460 128.937 -1.477 1
1 50 . 8 1 1 A 5 5 LYS H H 5 8.292 8.718 -0.426 1
1 51 . 8 1 1 A 5 5 LYS HA H 5 5.173 4.594 0.579 1
1 60 . 8 1 1 A 5 5 LYS CA C 5 53.276 52.805 0.471 1
1 61 . 8 1 1 A 5 5 LYS CB C 5 33.713 34.290 -0.577 1
1 65 . 8 1 1 A 5 5 LYS N N 5 126.677 126.277 0.400 1
1 66 . 8 1 1 A 6 6 PRO HA H 6 4.383 4.597 -0.214 1
1 73 . 8 1 1 A 6 6 PRO CA C 6 62.444 62.666 -0.222 1
1 74 . 8 1 1 A 6 6 PRO CB C 6 32.018 32.225 -0.207 1
1 77 . 8 1 1 A 7 7 GLN H H 7 9.359 8.550 0.809 1
1 78 . 8 1 1 A 7 7 GLN HA H 7 4.406 4.396 0.010 1
1 85 . 8 1 1 A 7 7 GLN CA C 7 56.357 56.878 -0.521 1
1 86 . 8 1 1 A 7 7 GLN CB C 7 28.784 29.208 -0.424 1
1 88 . 8 1 1 A 7 7 GLN N N 7 119.975 121.572 -1.597 1
1 90 . 8 1 1 A 8 8 VAL H H 8 7.032 7.345 -0.313 1
1 91 . 8 1 1 A 8 8 VAL HA H 8 4.486 4.869 -0.383 1
1 99 . 8 1 1 A 8 8 VAL CA C 8 58.874 58.885 -0.011 1
1 100 . 8 1 1 A 8 8 VAL CB C 8 35.169 35.768 -0.599 1
1 103 . 8 1 1 A 8 8 VAL N N 8 111.122 117.647 -6.525 1
1 104 . 8 1 1 A 9 9 SER H H 9 8.210 8.812 -0.602 1
1 105 . 8 1 1 A 9 9 SER HA H 9 4.957 4.972 -0.015 1
1 108 . 8 1 1 A 9 9 SER CA C 9 56.585 57.030 -0.445 1
1 109 . 8 1 1 A 9 9 SER CB C 9 64.442 64.283 0.159 1
1 110 . 8 1 1 A 9 9 SER N N 9 115.043 117.637 -2.594 1
1 111 . 8 1 1 A 10 10 GLY H H 10 8.003 7.762 0.241 1
1 112 . 8 1 1 A 10 10 GLY HA2 H 10 4.412 4.180 0.232 1
1 113 . 8 1 1 A 10 10 GLY HA3 H 10 3.645 4.191 -0.546 1
1 114 . 8 1 1 A 10 10 GLY CA C 10 45.292 46.013 -0.721 1
1 115 . 8 1 1 A 10 10 GLY N N 10 108.708 112.576 -3.868 1
1 116 . 8 1 1 A 11 11 VAL H H 11 8.006 7.852 0.154 1
1 117 . 8 1 1 A 11 11 VAL HA H 11 4.743 4.915 -0.172 1
1 125 . 8 1 1 A 11 11 VAL CA C 11 60.539 60.599 -0.060 1
1 126 . 8 1 1 A 11 11 VAL CB C 11 34.951 36.070 -1.119 1
1 129 . 8 1 1 A 11 11 VAL N N 11 118.308 120.143 -1.835 1
1 130 . 8 1 1 A 12 12 ILE H H 12 8.459 8.582 -0.123 1
1 131 . 8 1 1 A 12 12 ILE HA H 12 4.050 4.236 -0.186 1
1 141 . 8 1 1 A 12 12 ILE CA C 12 60.287 62.151 -1.864 1
1 142 . 8 1 1 A 12 12 ILE CB C 12 35.650 38.128 -2.478 1
1 146 . 8 1 1 A 12 12 ILE N N 12 125.265 125.509 -0.244 1
1 147 . 8 1 1 A 13 13 VAL H H 13 8.908 9.539 -0.631 1
1 148 . 8 1 1 A 13 13 VAL HA H 13 4.500 4.141 0.359 1
1 156 . 8 1 1 A 13 13 VAL CA C 13 62.126 63.421 -1.295 1
1 157 . 8 1 1 A 13 13 VAL CB C 13 33.291 33.136 0.155 1
1 160 . 8 1 1 A 13 13 VAL N N 13 124.479 126.053 -1.574 1
1 161 . 8 1 1 A 14 14 ASN H H 14 7.653 7.584 0.069 1
1 162 . 8 1 1 A 14 14 ASN HA H 14 4.819 5.099 -0.280 1
1 167 . 8 1 1 A 14 14 ASN CA C 14 52.806 52.574 0.232 1
1 168 . 8 1 1 A 14 14 ASN CB C 14 41.978 41.910 0.068 1
1 169 . 8 1 1 A 14 14 ASN N N 14 114.961 114.587 0.374 1
1 171 . 8 1 1 A 15 15 LYS H H 15 8.404 8.538 -0.134 1
1 172 . 8 1 1 A 15 15 LYS HA H 15 4.641 4.734 -0.093 1
1 179 . 8 1 1 A 15 15 LYS CA C 15 55.935 55.193 0.742 1
1 180 . 8 1 1 A 15 15 LYS CB C 15 35.274 34.153 1.121 1
1 183 . 8 1 1 A 15 15 LYS N N 15 123.768 120.792 2.976 1
1 184 . 8 1 1 A 16 16 LEU H H 16 8.020 8.482 -0.462 1
1 185 . 8 1 1 A 16 16 LEU HA H 16 4.611 4.436 0.175 1
1 195 . 8 1 1 A 16 16 LEU CA C 16 55.124 54.270 0.854 1
1 196 . 8 1 1 A 16 16 LEU CB C 16 41.308 39.809 1.499 1
1 200 . 8 1 1 A 16 16 LEU N N 16 126.162 126.527 -0.365 1
1 201 . 8 1 1 A 17 17 PHE H H 17 6.573 7.644 -1.071 1
1 202 . 8 1 1 A 17 17 PHE HA H 17 4.862 5.018 -0.156 1
1 207 . 8 1 1 A 17 17 PHE CA C 17 55.528 55.738 -0.210 1
1 208 . 8 1 1 A 17 17 PHE CB C 17 41.093 41.386 -0.293 1
1 209 . 8 1 1 A 17 17 PHE N N 17 113.628 116.390 -2.762 1
1 210 . 8 1 1 A 18 18 LYS H H 18 8.655 8.319 0.336 1
1 211 . 8 1 1 A 18 18 LYS HA H 18 4.333 4.407 -0.074 1
1 220 . 8 1 1 A 18 18 LYS CA C 18 54.277 53.865 0.412 1
1 221 . 8 1 1 A 18 18 LYS CB C 18 35.134 35.969 -0.835 1
1 225 . 8 1 1 A 18 18 LYS N N 18 120.572 118.311 2.261 1
1 226 . 8 1 1 A 19 19 ALA H H 19 8.407 8.289 0.118 1
1 227 . 8 1 1 A 19 19 ALA HA H 19 3.962 4.561 -0.599 1
1 231 . 8 1 1 A 19 19 ALA CA C 19 53.980 52.536 1.444 1
1 232 . 8 1 1 A 19 19 ALA CB C 19 18.497 19.128 -0.631 1
1 233 . 8 1 1 A 19 19 ALA N N 19 123.842 125.122 -1.280 1
1 234 . 8 1 1 A 20 20 GLY H H 20 8.814 8.618 0.196 1
1 235 . 8 1 1 A 20 20 GLY HA2 H 20 4.313 3.936 0.377 1
1 236 . 8 1 1 A 20 20 GLY HA3 H 20 3.532 3.960 -0.428 1
1 237 . 8 1 1 A 20 20 GLY CA C 20 45.045 45.442 -0.397 1
1 238 . 8 1 1 A 20 20 GLY N N 20 112.434 111.713 0.721 1
1 239 . 8 1 1 A 21 21 ASP H H 21 7.933 7.950 -0.017 1
1 240 . 8 1 1 A 21 21 ASP HA H 21 4.499 4.937 -0.438 1
1 243 . 8 1 1 A 21 21 ASP CA C 21 55.383 53.592 1.791 1
1 244 . 8 1 1 A 21 21 ASP CB C 21 41.067 42.675 -1.608 1
1 245 . 8 1 1 A 21 21 ASP N N 21 121.505 120.583 0.922 1
1 246 . 8 1 1 A 22 22 LYS H H 22 8.311 8.393 -0.082 1
1 247 . 8 1 1 A 22 22 LYS HA H 22 4.871 5.230 -0.359 1
1 256 . 8 1 1 A 22 22 LYS CA C 22 55.659 54.927 0.732 1
1 257 . 8 1 1 A 22 22 LYS CB C 22 31.820 34.838 -3.018 1
1 261 . 8 1 1 A 22 22 LYS N N 22 120.225 119.365 0.860 1
1 262 . 8 1 1 A 23 23 VAL H H 23 8.935 9.325 -0.390 1
1 263 . 8 1 1 A 23 23 VAL HA H 23 4.841 5.116 -0.275 1
1 271 . 8 1 1 A 23 23 VAL CA C 23 58.502 59.252 -0.750 1
1 272 . 8 1 1 A 23 23 VAL CB C 23 34.507 35.756 -1.249 1
1 275 . 8 1 1 A 23 23 VAL N N 23 117.700 118.294 -0.594 1
1 276 . 8 1 1 A 24 24 LYS H H 24 7.960 8.520 -0.560 1
1 277 . 8 1 1 A 24 24 LYS HA H 24 4.838 4.946 -0.108 1
1 286 . 8 1 1 A 24 24 LYS CA C 24 53.195 54.194 -0.999 1
1 287 . 8 1 1 A 24 24 LYS CB C 24 35.213 36.396 -1.183 1
1 291 . 8 1 1 A 24 24 LYS N N 24 121.958 120.616 1.342 1
1 292 . 8 1 1 A 25 25 LYS H H 25 8.915 8.527 0.388 1
1 293 . 8 1 1 A 25 25 LYS HA H 25 3.156 4.256 -1.100 1
1 300 . 8 1 1 A 25 25 LYS CA C 25 58.648 57.137 1.511 1
1 301 . 8 1 1 A 25 25 LYS CB C 25 32.648 31.205 1.443 1
1 304 . 8 1 1 A 25 25 LYS N N 25 121.653 121.173 0.480 1
1 305 . 8 1 1 A 26 26 GLY H H 26 8.900 9.096 -0.196 1
1 306 . 8 1 1 A 26 26 GLY HA2 H 26 4.283 3.920 0.363 1
1 307 . 8 1 1 A 26 26 GLY HA3 H 26 3.471 3.923 -0.452 1
1 308 . 8 1 1 A 26 26 GLY CA C 26 45.263 45.522 -0.259 1
1 309 . 8 1 1 A 26 26 GLY N N 26 115.268 112.827 2.441 1
1 310 . 8 1 1 A 27 27 GLN H H 27 8.433 7.869 0.564 1
1 311 . 8 1 1 A 27 27 GLN HA H 27 4.141 4.352 -0.211 1
1 318 . 8 1 1 A 27 27 GLN CA C 27 56.324 56.106 0.218 1
1 319 . 8 1 1 A 27 27 GLN CB C 27 30.520 29.241 1.279 1
1 321 . 8 1 1 A 27 27 GLN N N 27 123.155 120.669 2.486 1
1 323 . 8 1 1 A 28 28 THR H H 28 9.110 8.986 0.124 1
1 324 . 8 1 1 A 28 28 THR HA H 28 3.893 4.187 -0.294 1
1 329 . 8 1 1 A 28 28 THR CA C 28 65.828 64.425 1.403 1
1 330 . 8 1 1 A 28 28 THR CB C 28 68.581 68.853 -0.272 1
1 332 . 8 1 1 A 28 28 THR N N 28 124.748 121.258 3.490 1
1 333 . 8 1 1 A 29 29 LEU H H 29 9.509 8.792 0.717 1
1 334 . 8 1 1 A 29 29 LEU HA H 29 4.383 4.764 -0.381 1
1 344 . 8 1 1 A 29 29 LEU CA C 29 55.795 55.694 0.101 1
1 345 . 8 1 1 A 29 29 LEU CB C 29 44.572 43.861 0.711 1
1 349 . 8 1 1 A 29 29 LEU N N 29 125.873 127.894 -2.021 1
1 350 . 8 1 1 A 30 30 PHE H H 30 7.579 7.625 -0.046 1
1 351 . 8 1 1 A 30 30 PHE HA H 30 5.367 5.195 0.172 1
1 359 . 8 1 1 A 30 30 PHE CA C 30 55.486 56.051 -0.565 1
1 360 . 8 1 1 A 30 30 PHE CB C 30 44.887 43.356 1.531 1
1 361 . 8 1 1 A 30 30 PHE N N 30 111.134 115.200 -4.066 1
1 362 . 8 1 1 A 31 31 ILE H H 31 7.858 8.528 -0.670 1
1 363 . 8 1 1 A 31 31 ILE HA H 31 4.817 4.848 -0.031 1
1 373 . 8 1 1 A 31 31 ILE CA C 31 60.063 60.051 0.012 1
1 374 . 8 1 1 A 31 31 ILE CB C 31 39.395 42.405 -3.010 1
1 378 . 8 1 1 A 31 31 ILE N N 31 119.416 119.747 -0.331 1
1 379 . 8 1 1 A 32 32 ILE H H 32 9.107 8.598 0.509 1
1 380 . 8 1 1 A 32 32 ILE HA H 32 4.842 4.971 -0.129 1
1 390 . 8 1 1 A 32 32 ILE CA C 32 59.002 60.127 -1.125 1
1 391 . 8 1 1 A 32 32 ILE CB C 32 42.048 42.260 -0.212 1
1 395 . 8 1 1 A 32 32 ILE N N 32 127.892 125.931 1.961 1
1 396 . 8 1 1 A 33 33 GLU H H 33 9.095 8.886 0.209 1
1 397 . 8 1 1 A 33 33 GLU HA H 33 4.642 4.926 -0.284 1
1 402 . 8 1 1 A 33 33 GLU CA C 33 54.985 55.158 -0.173 1
1 403 . 8 1 1 A 33 33 GLU CB C 33 31.672 31.359 0.313 1
1 405 . 8 1 1 A 33 33 GLU N N 33 128.157 127.901 0.256 1
1 406 . 8 1 1 A 34 34 GLN H H 34 8.725 8.589 0.136 1
1 407 . 8 1 1 A 34 34 GLN HA H 34 4.354 4.791 -0.437 1
1 414 . 8 1 1 A 34 34 GLN CA C 34 56.807 53.848 2.959 1
1 415 . 8 1 1 A 34 34 GLN CB C 34 30.119 30.610 -0.491 1
1 417 . 8 1 1 A 34 34 GLN N N 34 128.123 125.135 2.988 1
1 419 . 8 1 1 A 35 35 ASP H H 35 8.524 9.223 -0.699 1
1 420 . 8 1 1 A 35 35 ASP HA H 35 4.609 4.415 0.194 1
1 423 . 8 1 1 A 35 35 ASP CA C 35 54.226 55.477 -1.251 1
1 424 . 8 1 1 A 35 35 ASP CB C 35 41.429 40.465 0.964 1
1 425 . 8 1 1 A 35 35 ASP N N 35 122.485 119.446 3.039 1
1 426 . 8 1 1 A 36 36 GLN H H 36 8.576 8.440 0.136 1
1 427 . 8 1 1 A 36 36 GLN HA H 36 4.041 3.936 0.105 1
1 434 . 8 1 1 A 36 36 GLN CA C 36 56.662 56.944 -0.282 1
1 435 . 8 1 1 A 36 36 GLN CB C 36 29.166 26.741 2.425 1
1 437 . 8 1 1 A 36 36 GLN N N 36 123.321 113.780 9.541 1
1 439 . 8 1 1 A 37 37 ALA H H 37 8.322 8.142 0.180 1
1 440 . 8 1 1 A 37 37 ALA HA H 37 4.232 4.441 -0.209 1
1 444 . 8 1 1 A 37 37 ALA CA C 37 53.231 51.560 1.671 1
1 445 . 8 1 1 A 37 37 ALA CB C 37 19.020 18.345 0.675 1
1 446 . 8 1 1 A 37 37 ALA N N 37 123.086 121.716 1.370 1
1 447 . 8 1 1 A 38 38 SER H H 38 7.919 8.181 -0.262 1
1 448 . 8 1 1 A 38 38 SER HA H 38 4.283 4.338 -0.055 1
1 451 . 8 1 1 A 38 38 SER CA C 38 58.884 60.623 -1.739 1
1 452 . 8 1 1 A 38 38 SER CB C 38 63.835 62.004 1.831 1
1 453 . 8 1 1 A 38 38 SER N N 38 113.578 110.899 2.679 1
1 454 . 8 1 1 A 39 39 LYS H H 39 8.153 8.711 -0.558 1
1 455 . 8 1 1 A 39 39 LYS HA H 39 4.140 4.496 -0.356 1
1 463 . 8 1 1 A 39 39 LYS CA C 39 57.127 57.152 -0.025 1
1 464 . 8 1 1 A 39 39 LYS CB C 39 32.812 33.817 -1.005 1
1 468 . 8 1 1 A 39 39 LYS N N 39 122.651 121.850 0.801 1
1 469 . 8 1 1 A 40 40 ASP H H 40 8.100 7.847 0.253 1
1 470 . 8 1 1 A 40 40 ASP HA H 40 4.532 4.881 -0.349 1
1 473 . 8 1 1 A 40 40 ASP CA C 40 54.376 53.224 1.152 1
1 474 . 8 1 1 A 40 40 ASP CB C 40 41.245 41.404 -0.159 1
1 475 . 8 1 1 A 40 40 ASP N N 40 119.441 117.826 1.615 1
1 476 . 8 1 1 A 41 41 PHE H H 41 7.924 8.044 -0.120 1
1 477 . 8 1 1 A 41 41 PHE HA H 41 4.384 4.901 -0.517 1
1 484 . 8 1 1 A 41 41 PHE CA C 41 58.704 56.694 2.010 1
1 485 . 8 1 1 A 41 41 PHE CB C 41 39.397 41.492 -2.095 1
1 486 . 8 1 1 A 41 41 PHE N N 41 121.124 121.789 -0.665 1
1 487 . 8 1 1 A 42 42 ASN H H 42 8.311 8.801 -0.490 1
1 488 . 8 1 1 A 42 42 ASN HA H 42 4.523 4.738 -0.215 1
1 492 . 8 1 1 A 42 42 ASN CA C 42 53.133 54.213 -1.080 1
1 493 . 8 1 1 A 42 42 ASN CB C 42 38.801 36.402 2.399 1
1 494 . 8 1 1 A 42 42 ASN N N 42 120.181 120.271 -0.090 1
1 496 . 8 1 1 A 43 43 ARG H H 43 8.133 8.209 -0.076 1
1 497 . 8 1 1 A 43 43 ARG HA H 43 4.115 3.848 0.267 1
1 504 . 8 1 1 A 43 43 ARG CA C 43 57.051 57.883 -0.832 1
1 505 . 8 1 1 A 43 43 ARG CB C 43 30.514 29.207 1.307 1
1 508 . 8 1 1 A 43 43 ARG N N 43 121.727 116.108 5.619 1
1 509 . 8 1 1 A 44 44 SER H H 44 8.174 8.849 -0.675 1
1 510 . 8 1 1 A 44 44 SER HA H 44 4.286 4.218 0.068 1
1 513 . 8 1 1 A 44 44 SER CA C 44 59.344 59.029 0.315 1
1 514 . 8 1 1 A 44 44 SER CB C 44 63.357 62.014 1.343 1
1 515 . 8 1 1 A 44 44 SER N N 44 115.718 114.325 1.393 1
1 516 . 8 1 1 A 45 45 LYS H H 45 7.963 8.574 -0.611 1
1 517 . 8 1 1 A 45 45 LYS HA H 45 4.123 4.097 0.026 1
1 526 . 8 1 1 A 45 45 LYS CA C 45 56.866 59.377 -2.511 1
1 527 . 8 1 1 A 45 45 LYS CB C 45 32.777 32.941 -0.164 1
1 530 . 8 1 1 A 45 45 LYS N N 45 122.326 127.085 -4.759 1
1 531 . 8 1 1 A 46 46 ALA H H 46 7.965 7.687 0.278 1
1 532 . 8 1 1 A 46 46 ALA HA H 46 4.165 4.570 -0.405 1
1 536 . 8 1 1 A 46 46 ALA CA C 46 52.999 51.559 1.440 1
1 537 . 8 1 1 A 46 46 ALA CB C 46 18.944 22.713 -3.769 1
1 538 . 8 1 1 A 46 46 ALA N N 46 123.536 115.687 7.849 1
1 539 . 8 1 1 A 47 47 LEU H H 47 7.898 8.614 -0.716 1
1 540 . 8 1 1 A 47 47 LEU HA H 47 4.158 4.564 -0.406 1
1 550 . 8 1 1 A 47 47 LEU CA C 47 55.583 54.614 0.969 1
1 551 . 8 1 1 A 47 47 LEU CB C 47 42.404 42.676 -0.272 1
1 555 . 8 1 1 A 47 47 LEU N N 47 119.914 121.235 -1.321 1
1 556 . 8 1 1 A 48 48 PHE H H 48 7.981 9.123 -1.142 1
1 557 . 8 1 1 A 48 48 PHE HA H 48 4.539 4.794 -0.255 1
1 564 . 8 1 1 A 48 48 PHE CA C 48 58.033 57.216 0.817 1
1 565 . 8 1 1 A 48 48 PHE CB C 48 39.470 40.917 -1.447 1
1 566 . 8 1 1 A 48 48 PHE N N 48 119.602 120.423 -0.821 1
1 567 . 8 1 1 A 49 49 SER H H 49 8.028 8.688 -0.660 1
1 568 . 8 1 1 A 49 49 SER HA H 49 4.332 4.769 -0.437 1
1 571 . 8 1 1 A 49 49 SER CA C 49 58.581 57.173 1.408 1
1 572 . 8 1 1 A 49 49 SER CB C 49 63.866 64.176 -0.310 1
1 573 . 8 1 1 A 49 49 SER N N 49 116.270 119.032 -2.762 1
1 574 . 8 1 1 A 50 50 GLN H H 50 8.266 8.276 -0.010 1
1 575 . 8 1 1 A 50 50 GLN HA H 50 4.257 3.942 0.315 1
1 582 . 8 1 1 A 50 50 GLN CA C 50 56.435 56.825 -0.390 1
1 583 . 8 1 1 A 50 50 GLN CB C 50 29.204 27.896 1.308 1
1 585 . 8 1 1 A 50 50 GLN N N 50 121.931 120.175 1.756 1
1 587 . 8 1 1 A 51 51 SER H H 51 8.147 8.498 -0.351 1
1 588 . 8 1 1 A 51 51 SER HA H 51 4.338 4.131 0.207 1
1 591 . 8 1 1 A 51 51 SER CA C 51 58.645 58.960 -0.315 1
1 592 . 8 1 1 A 51 51 SER CB C 51 63.784 61.539 2.245 1
1 593 . 8 1 1 A 51 51 SER N N 51 115.676 121.202 -5.526 1
1 594 . 8 1 1 A 52 52 ALA H H 52 8.175 7.969 0.206 1
1 595 . 8 1 1 A 52 52 ALA HA H 52 4.265 4.242 0.023 1
1 599 . 8 1 1 A 52 52 ALA CA C 52 53.031 52.668 0.363 1
1 600 . 8 1 1 A 52 52 ALA CB C 52 18.941 19.806 -0.865 1
1 601 . 8 1 1 A 52 52 ALA N N 52 125.360 120.946 4.414 1
1 602 . 8 1 1 A 53 53 ILE H H 53 7.870 7.322 0.548 1
1 603 . 8 1 1 A 53 53 ILE HA H 53 4.099 4.301 -0.202 1
1 613 . 8 1 1 A 53 53 ILE CA C 53 61.558 59.793 1.765 1
1 614 . 8 1 1 A 53 53 ILE CB C 53 38.851 38.348 0.503 1
1 618 . 8 1 1 A 53 53 ILE N N 53 118.231 109.895 8.336 1
1 619 . 8 1 1 A 54 54 SER H H 54 8.159 7.944 0.215 1
1 620 . 8 1 1 A 54 54 SER HA H 54 4.384 4.392 -0.008 1
1 623 . 8 1 1 A 54 54 SER CA C 54 58.551 60.550 -1.999 1
1 624 . 8 1 1 A 54 54 SER CB C 54 63.964 62.372 1.592 1
1 625 . 8 1 1 A 54 54 SER N N 54 118.588 114.816 3.772 1
1 626 . 8 1 1 A 55 55 GLN H H 55 8.301 8.606 -0.305 1
1 627 . 8 1 1 A 55 55 GLN HA H 55 4.214 4.453 -0.239 1
1 634 . 8 1 1 A 55 55 GLN CA C 55 56.547 56.759 -0.212 1
1 635 . 8 1 1 A 55 55 GLN CB C 55 29.292 29.532 -0.240 1
1 637 . 8 1 1 A 55 55 GLN N N 55 122.173 122.347 -0.174 1
1 639 . 8 1 1 A 56 56 LYS H H 56 8.163 7.815 0.348 1
1 640 . 8 1 1 A 56 56 LYS HA H 56 4.177 4.263 -0.086 1
1 647 . 8 1 1 A 56 56 LYS CA C 56 56.978 56.424 0.554 1
1 648 . 8 1 1 A 56 56 LYS CB C 56 32.855 32.246 0.609 1
1 651 . 8 1 1 A 56 56 LYS N N 56 121.126 116.254 4.872 1
1 652 . 8 1 1 A 57 57 GLU H H 57 8.211 7.993 0.218 1
1 653 . 8 1 1 A 57 57 GLU HA H 57 4.151 4.544 -0.393 1
1 658 . 8 1 1 A 57 57 GLU CA C 57 57.058 56.006 1.052 1
1 659 . 8 1 1 A 57 57 GLU CB C 57 30.211 31.182 -0.971 1
1 661 . 8 1 1 A 57 57 GLU N N 57 120.615 118.878 1.737 1
1 662 . 8 1 1 A 58 58 TYR H H 58 8.070 7.665 0.405 1
1 663 . 8 1 1 A 58 58 TYR HA H 58 4.375 4.683 -0.308 1
1 670 . 8 1 1 A 58 58 TYR CA C 58 58.570 57.170 1.400 1
1 671 . 8 1 1 A 58 58 TYR CB C 58 38.962 38.640 0.322 1
1 672 . 8 1 1 A 58 58 TYR N N 58 120.822 122.420 -1.598 1
1 673 . 8 1 1 A 59 59 ASP H H 59 8.146 8.132 0.014 1
1 674 . 8 1 1 A 59 59 ASP HA H 59 4.492 4.737 -0.245 1
1 677 . 8 1 1 A 59 59 ASP CA C 59 54.396 53.959 0.437 1
1 678 . 8 1 1 A 59 59 ASP CB C 59 41.086 42.059 -0.973 1
1 679 . 8 1 1 A 59 59 ASP N N 59 122.551 125.173 -2.622 1
1 680 . 8 1 1 A 60 60 SER H H 60 8.253 8.764 -0.511 1
1 681 . 8 1 1 A 60 60 SER HA H 60 4.260 4.317 -0.057 1
1 684 . 8 1 1 A 60 60 SER CA C 60 59.533 60.199 -0.666 1
1 685 . 8 1 1 A 60 60 SER CB C 60 63.422 63.546 -0.124 1
1 686 . 8 1 1 A 60 60 SER N N 60 117.657 116.813 0.844 1
1 687 . 8 1 1 A 61 61 SER H H 61 8.344 8.216 0.128 1
1 688 . 8 1 1 A 61 61 SER HA H 61 4.307 4.176 0.131 1
1 691 . 8 1 1 A 61 61 SER CA C 61 59.755 61.776 -2.021 1
1 692 . 8 1 1 A 61 61 SER CB C 61 63.582 62.647 0.935 1
1 693 . 8 1 1 A 61 61 SER N N 61 118.129 116.248 1.881 1
1 694 . 8 1 1 A 62 62 LEU H H 62 7.759 7.768 -0.009 1
1 695 . 8 1 1 A 62 62 LEU HA H 62 4.234 4.453 -0.219 1
1 705 . 8 1 1 A 62 62 LEU CA C 62 55.464 54.790 0.674 1
1 706 . 8 1 1 A 62 62 LEU CB C 62 42.238 42.547 -0.309 1
1 710 . 8 1 1 A 62 62 LEU N N 62 122.627 116.263 6.364 1
1 711 . 8 1 1 A 63 63 ALA H H 63 7.919 7.381 0.538 1
1 712 . 8 1 1 A 63 63 ALA HA H 63 4.276 4.153 0.123 1
1 716 . 8 1 1 A 63 63 ALA CA C 63 52.922 51.641 1.281 1
1 717 . 8 1 1 A 63 63 ALA CB C 63 19.221 19.625 -0.404 1
1 718 . 8 1 1 A 63 63 ALA N N 63 123.444 123.853 -0.409 1
1 719 . 8 1 1 A 64 64 THR H H 64 7.890 8.611 -0.721 1
1 720 . 8 1 1 A 64 64 THR HA H 64 4.217 4.715 -0.498 1
1 725 . 8 1 1 A 64 64 THR CA C 64 61.787 61.685 0.102 1
1 726 . 8 1 1 A 64 64 THR CB C 64 69.719 69.119 0.600 1
1 728 . 8 1 1 A 64 64 THR N N 64 112.279 118.935 -6.656 1
1 729 . 8 1 1 A 65 65 LEU H H 65 8.009 8.583 -0.574 1
1 730 . 8 1 1 A 65 65 LEU HA H 65 4.295 4.843 -0.548 1
1 740 . 8 1 1 A 65 65 LEU CA C 65 55.345 54.356 0.989 1
1 741 . 8 1 1 A 65 65 LEU CB C 65 42.412 44.877 -2.465 1
1 745 . 8 1 1 A 65 65 LEU N N 65 123.586 126.421 -2.835 1
1 746 . 8 1 1 A 66 66 ASP H H 66 8.288 8.826 -0.538 1
1 747 . 8 1 1 A 66 66 ASP HA H 66 4.564 5.054 -0.490 1
1 750 . 8 1 1 A 66 66 ASP CA C 66 54.676 53.393 1.283 1
1 751 . 8 1 1 A 66 66 ASP CB C 66 41.376 41.368 0.008 1
1 752 . 8 1 1 A 66 66 ASP N N 66 120.344 124.959 -4.615 1
1 753 . 8 1 1 A 67 67 HIS H H 67 8.058 8.861 -0.803 1
1 754 . 8 1 1 A 67 67 HIS HA H 67 5.247 5.325 -0.078 1
1 758 . 8 1 1 A 67 67 HIS CA C 67 55.260 53.749 1.511 1
1 759 . 8 1 1 A 67 67 HIS CB C 67 31.974 32.565 -0.591 1
1 760 . 8 1 1 A 67 67 HIS N N 67 119.406 122.986 -3.580 1
1 761 . 8 1 1 A 68 68 THR H H 68 8.919 9.042 -0.123 1
1 762 . 8 1 1 A 68 68 THR HA H 68 4.484 4.712 -0.228 1
1 767 . 8 1 1 A 68 68 THR CA C 68 62.542 61.992 0.550 1
1 768 . 8 1 1 A 68 68 THR CB C 68 71.067 69.314 1.753 1
1 770 . 8 1 1 A 68 68 THR N N 68 117.233 117.529 -0.296 1
1 771 . 8 1 1 A 69 69 GLU H H 69 8.649 9.056 -0.407 1
1 772 . 8 1 1 A 69 69 GLU HA H 69 4.703 4.672 0.031 1
1 777 . 8 1 1 A 69 69 GLU CA C 69 55.886 56.453 -0.567 1
1 778 . 8 1 1 A 69 69 GLU CB C 69 31.746 30.327 1.419 1
1 780 . 8 1 1 A 69 69 GLU N N 69 124.187 126.920 -2.733 1
1 781 . 8 1 1 A 70 70 ILE H H 70 8.601 8.817 -0.216 1
1 782 . 8 1 1 A 70 70 ILE HA H 70 4.405 4.409 -0.004 1
1 792 . 8 1 1 A 70 70 ILE CA C 70 59.234 61.347 -2.113 1
1 793 . 8 1 1 A 70 70 ILE CB C 70 37.318 36.819 0.499 1
1 797 . 8 1 1 A 70 70 ILE N N 70 123.482 127.172 -3.690 1
1 798 . 8 1 1 A 71 71 LYS H H 71 8.926 7.898 1.028 1
1 799 . 8 1 1 A 71 71 LYS HA H 71 5.078 4.766 0.312 1
1 806 . 8 1 1 A 71 71 LYS CA C 71 54.584 55.893 -1.309 1
1 807 . 8 1 1 A 71 71 LYS CB C 71 36.281 33.710 2.571 1
1 810 . 8 1 1 A 71 71 LYS N N 71 128.267 125.767 2.500 1
1 811 . 8 1 1 A 72 72 ALA H H 72 8.633 8.776 -0.143 1
1 812 . 8 1 1 A 72 72 ALA HA H 72 4.067 4.415 -0.348 1
1 816 . 8 1 1 A 72 72 ALA CA C 72 49.967 50.935 -0.968 1
1 817 . 8 1 1 A 72 72 ALA CB C 72 17.255 17.710 -0.455 1
1 818 . 8 1 1 A 72 72 ALA N N 72 123.088 124.383 -1.295 1
1 819 . 8 1 1 A 73 73 PRO HA H 73 4.333 4.425 -0.092 1
1 826 . 8 1 1 A 73 73 PRO CA C 73 63.716 64.742 -1.026 1
1 827 . 8 1 1 A 73 73 PRO CB C 73 31.915 31.968 -0.053 1
1 830 . 8 1 1 A 74 74 PHE H H 74 6.768 6.835 -0.067 1
1 831 . 8 1 1 A 74 74 PHE HA H 74 4.421 4.923 -0.502 1
1 838 . 8 1 1 A 74 74 PHE CA C 74 54.396 56.019 -1.623 1
1 839 . 8 1 1 A 74 74 PHE CB C 74 40.697 40.924 -0.227 1
1 840 . 8 1 1 A 74 74 PHE N N 74 112.022 112.012 0.010 1
1 841 . 8 1 1 A 75 75 ASP H H 75 8.583 8.829 -0.246 1
1 842 . 8 1 1 A 75 75 ASP HA H 75 4.922 4.555 0.367 1
1 845 . 8 1 1 A 75 75 ASP CA C 75 53.873 54.673 -0.800 1
1 846 . 8 1 1 A 75 75 ASP CB C 75 40.839 41.395 -0.556 1
1 847 . 8 1 1 A 75 75 ASP N N 75 118.252 119.699 -1.447 1
1 848 . 8 1 1 A 76 76 GLY H H 76 8.348 8.153 0.195 1
1 849 . 8 1 1 A 76 76 GLY HA2 H 76 4.236 4.287 -0.051 1
1 850 . 8 1 1 A 76 76 GLY HA3 H 76 4.075 4.302 -0.227 1
1 851 . 8 1 1 A 76 76 GLY CA C 76 46.639 45.571 1.068 1
1 852 . 8 1 1 A 76 76 GLY N N 76 108.729 107.169 1.560 1
1 853 . 8 1 1 A 77 77 THR H H 77 8.623 8.535 0.088 1
1 854 . 8 1 1 A 77 77 THR HA H 77 4.975 4.977 -0.002 1
1 859 . 8 1 1 A 77 77 THR CA C 77 61.752 61.955 -0.203 1
1 860 . 8 1 1 A 77 77 THR CB C 77 70.121 70.784 -0.663 1
1 862 . 8 1 1 A 77 77 THR N N 77 116.400 116.370 0.030 1
1 863 . 8 1 1 A 78 78 ILE H H 78 8.824 8.919 -0.095 1
1 864 . 8 1 1 A 78 78 ILE HA H 78 4.673 5.094 -0.421 1
1 874 . 8 1 1 A 78 78 ILE CA C 78 60.164 59.395 0.769 1
1 875 . 8 1 1 A 78 78 ILE CB C 78 42.973 41.417 1.556 1
1 879 . 8 1 1 A 78 78 ILE N N 78 129.310 127.170 2.140 1
1 880 . 8 1 1 A 79 79 GLY H H 79 8.060 8.430 -0.370 1
1 881 . 8 1 1 A 79 79 GLY HA2 H 79 4.404 4.154 0.250 1
1 882 . 8 1 1 A 79 79 GLY HA3 H 79 3.775 4.155 -0.380 1
1 883 . 8 1 1 A 79 79 GLY CA C 79 44.149 44.532 -0.383 1
1 884 . 8 1 1 A 79 79 GLY N N 79 114.539 115.915 -1.376 1
1 885 . 8 1 1 A 80 80 ASP H H 80 7.804 8.426 -0.622 1
1 886 . 8 1 1 A 80 80 ASP HA H 80 4.703 5.296 -0.593 1
1 889 . 8 1 1 A 80 80 ASP CA C 80 53.703 53.182 0.521 1
1 890 . 8 1 1 A 80 80 ASP CB C 80 41.918 43.086 -1.168 1
1 891 . 8 1 1 A 80 80 ASP N N 80 113.688 121.033 -7.345 1
1 892 . 8 1 1 A 81 81 ALA H H 81 8.566 9.018 -0.452 1
1 893 . 8 1 1 A 81 81 ALA HA H 81 4.571 4.608 -0.037 1
1 897 . 8 1 1 A 81 81 ALA CA C 81 53.312 53.218 0.094 1
1 898 . 8 1 1 A 81 81 ALA CB C 81 20.381 19.515 0.866 1
1 899 . 8 1 1 A 81 81 ALA N N 81 124.136 128.094 -3.958 1
1 900 . 8 1 1 A 82 82 LEU H H 82 8.747 8.923 -0.176 1
1 901 . 8 1 1 A 82 82 LEU HA H 82 4.345 4.397 -0.052 1
1 910 . 8 1 1 A 82 82 LEU CA C 82 55.210 56.296 -1.086 1
1 911 . 8 1 1 A 82 82 LEU CB C 82 41.457 42.865 -1.408 1
1 914 . 8 1 1 A 82 82 LEU N N 82 121.773 125.040 -3.267 1
1 915 . 8 1 1 A 83 83 VAL H H 83 7.141 7.371 -0.230 1
1 916 . 8 1 1 A 83 83 VAL HA H 83 4.496 4.737 -0.241 1
1 924 . 8 1 1 A 83 83 VAL CA C 83 58.502 59.641 -1.139 1
1 925 . 8 1 1 A 83 83 VAL CB C 83 35.229 34.688 0.541 1
1 928 . 8 1 1 A 83 83 VAL N N 83 108.169 113.339 -5.170 1
1 929 . 8 1 1 A 84 84 ASN H H 84 9.076 8.729 0.347 1
1 930 . 8 1 1 A 84 84 ASN HA H 84 4.887 5.225 -0.338 1
1 935 . 8 1 1 A 84 84 ASN CA C 84 51.248 51.550 -0.302 1
1 936 . 8 1 1 A 84 84 ASN CB C 84 41.989 41.806 0.183 1
1 937 . 8 1 1 A 84 84 ASN N N 84 119.502 118.448 1.054 1
1 939 . 8 1 1 A 85 85 ILE H H 85 8.404 8.408 -0.004 1
1 940 . 8 1 1 A 85 85 ILE HA H 85 3.393 3.981 -0.588 1
1 950 . 8 1 1 A 85 85 ILE CA C 85 63.873 62.946 0.927 1
1 951 . 8 1 1 A 85 85 ILE CB C 85 37.146 38.579 -1.433 1
1 955 . 8 1 1 A 85 85 ILE N N 85 119.409 121.269 -1.860 1
1 956 . 8 1 1 A 86 86 GLY H H 86 9.239 8.670 0.569 1
1 957 . 8 1 1 A 86 86 GLY HA2 H 86 4.401 3.872 0.529 1
1 958 . 8 1 1 A 86 86 GLY HA3 H 86 3.411 3.876 -0.465 1
1 959 . 8 1 1 A 86 86 GLY CA C 86 44.869 45.990 -1.121 1
1 960 . 8 1 1 A 86 86 GLY N N 86 117.321 114.937 2.384 1
1 961 . 8 1 1 A 87 87 ASP H H 87 7.968 8.219 -0.251 1
1 962 . 8 1 1 A 87 87 ASP HA H 87 4.607 4.847 -0.240 1
1 965 . 8 1 1 A 87 87 ASP CA C 87 54.886 53.764 1.122 1
1 966 . 8 1 1 A 87 87 ASP CB C 87 40.771 41.418 -0.647 1
1 967 . 8 1 1 A 87 87 ASP N N 87 121.490 121.024 0.466 1
1 968 . 8 1 1 A 88 88 TYR H H 88 8.566 9.005 -0.439 1
1 969 . 8 1 1 A 88 88 TYR HA H 88 4.712 4.867 -0.155 1
1 976 . 8 1 1 A 88 88 TYR CA C 88 57.826 59.869 -2.043 1
1 977 . 8 1 1 A 88 88 TYR CB C 88 39.243 39.215 0.028 1
1 978 . 8 1 1 A 88 88 TYR N N 88 122.340 127.073 -4.733 1
1 979 . 8 1 1 A 89 89 VAL H H 89 8.951 8.494 0.457 1
1 980 . 8 1 1 A 89 89 VAL HA H 89 4.578 4.792 -0.214 1
1 988 . 8 1 1 A 89 89 VAL CA C 89 58.339 59.234 -0.895 1
1 989 . 8 1 1 A 89 89 VAL CB C 89 34.321 34.552 -0.231 1
1 992 . 8 1 1 A 89 89 VAL N N 89 121.914 121.584 0.330 1
1 993 . 8 1 1 A 90 90 SER H H 90 8.777 9.101 -0.324 1
1 994 . 8 1 1 A 90 90 SER HA H 90 4.750 4.750 0.000 1
1 997 . 8 1 1 A 90 90 SER CA C 90 56.895 57.106 -0.211 1
1 998 . 8 1 1 A 90 90 SER CB C 90 64.866 64.605 0.261 1
1 999 . 8 1 1 A 90 90 SER N N 90 114.813 118.931 -4.118 1
1 1000 . 8 1 1 A 91 91 ALA H H 91 8.712 8.399 0.313 1
1 1001 . 8 1 1 A 91 91 ALA HA H 91 3.515 3.848 -0.333 1
1 1005 . 8 1 1 A 91 91 ALA CA C 91 53.317 54.012 -0.695 1
1 1006 . 8 1 1 A 91 91 ALA CB C 91 18.678 17.744 0.934 1
1 1007 . 8 1 1 A 91 91 ALA N N 91 129.870 128.909 0.961 1
1 1008 . 8 1 1 A 92 92 SER H H 92 9.170 8.970 0.200 1
1 1009 . 8 1 1 A 92 92 SER HA H 92 3.817 4.187 -0.370 1
1 1012 . 8 1 1 A 92 92 SER CA C 92 60.652 61.024 -0.372 1
1 1013 . 8 1 1 A 92 92 SER CB C 92 62.505 62.951 -0.446 1
1 1014 . 8 1 1 A 92 92 SER N N 92 113.294 114.315 -1.021 1
1 1015 . 8 1 1 A 93 93 THR H H 93 7.816 7.294 0.522 1
1 1016 . 8 1 1 A 93 93 THR HA H 93 4.402 4.120 0.282 1
1 1021 . 8 1 1 A 93 93 THR CA C 93 64.378 66.047 -1.669 1
1 1022 . 8 1 1 A 93 93 THR CB C 93 70.948 68.760 2.188 1
1 1024 . 8 1 1 A 93 93 THR N N 93 113.858 115.285 -1.427 1
1 1025 . 8 1 1 A 94 94 THR H H 94 7.702 7.452 0.250 1
1 1026 . 8 1 1 A 94 94 THR HA H 94 3.910 4.283 -0.373 1
1 1031 . 8 1 1 A 94 94 THR CA C 94 65.140 62.770 2.370 1
1 1032 . 8 1 1 A 94 94 THR CB C 94 70.001 68.157 1.844 1
1 1034 . 8 1 1 A 94 94 THR N N 94 119.588 114.594 4.994 1
1 1035 . 8 1 1 A 95 95 GLU H H 95 8.407 8.368 0.039 1
1 1036 . 8 1 1 A 95 95 GLU HA H 95 3.801 4.701 -0.900 1
1 1041 . 8 1 1 A 95 95 GLU CA C 95 56.613 55.430 1.183 1
1 1042 . 8 1 1 A 95 95 GLU CB C 95 29.600 30.647 -1.047 1
1 1044 . 8 1 1 A 95 95 GLU N N 95 124.764 127.376 -2.612 1
1 1045 . 8 1 1 A 96 96 LEU H H 96 8.750 8.706 0.044 1
1 1046 . 8 1 1 A 96 96 LEU HA H 96 4.260 4.511 -0.251 1
1 1056 . 8 1 1 A 96 96 LEU CA C 96 56.927 54.804 2.123 1
1 1057 . 8 1 1 A 96 96 LEU CB C 96 43.310 42.954 0.356 1
1 1061 . 8 1 1 A 96 96 LEU N N 96 120.035 121.174 -1.139 1
1 1062 . 8 1 1 A 97 97 VAL H H 97 7.053 7.464 -0.411 1
1 1063 . 8 1 1 A 97 97 VAL HA H 97 4.345 4.585 -0.240 1
1 1071 . 8 1 1 A 97 97 VAL CA C 97 61.291 60.802 0.489 1
1 1072 . 8 1 1 A 97 97 VAL CB C 97 31.577 36.203 -4.626 1
1 1075 . 8 1 1 A 97 97 VAL N N 97 112.365 117.315 -4.950 1
1 1076 . 8 1 1 A 98 98 ARG H H 98 8.980 8.700 0.280 1
1 1077 . 8 1 1 A 98 98 ARG HA H 98 5.267 4.967 0.300 1
1 1084 . 8 1 1 A 98 98 ARG CA C 98 55.195 54.285 0.910 1
1 1085 . 8 1 1 A 98 98 ARG CB C 98 32.818 33.777 -0.959 1
1 1088 . 8 1 1 A 98 98 ARG N N 98 127.477 124.136 3.341 1
1 1089 . 8 1 1 A 99 99 VAL H H 99 8.887 8.838 0.049 1
1 1090 . 8 1 1 A 99 99 VAL HA H 99 4.556 5.019 -0.463 1
1 1095 . 8 1 1 A 99 99 VAL CA C 99 60.968 61.188 -0.220 1
1 1096 . 8 1 1 A 99 99 VAL CB C 99 34.186 33.166 1.020 1
1 1098 . 8 1 1 A 99 99 VAL N N 99 122.826 122.652 0.174 1
1 1099 . 8 1 1 A 100 100 THR H H 100 8.833 8.703 0.130 1
1 1100 . 8 1 1 A 100 100 THR HA H 100 4.559 5.153 -0.594 1
1 1105 . 8 1 1 A 100 100 THR CA C 100 61.080 59.522 1.558 1
1 1106 . 8 1 1 A 100 100 THR CB C 100 70.669 71.869 -1.200 1
1 1108 . 8 1 1 A 100 100 THR N N 100 121.816 121.400 0.416 1
1 1109 . 8 1 1 A 101 101 ASN H H 101 8.153 9.265 -1.112 1
1 1110 . 8 1 1 A 101 101 ASN HA H 101 4.518 4.675 -0.157 1
1 1115 . 8 1 1 A 101 101 ASN CA C 101 54.238 54.992 -0.754 1
1 1116 . 8 1 1 A 101 101 ASN CB C 101 38.470 38.098 0.372 1
1 1117 . 8 1 1 A 101 101 ASN N N 101 122.733 125.227 -2.494 1
1 1119 . 8 1 1 A 102 102 LEU H H 102 8.160 8.639 -0.479 1
1 1120 . 8 1 1 A 102 102 LEU HA H 102 4.245 4.300 -0.055 1
1 1130 . 8 1 1 A 102 102 LEU CA C 102 55.449 57.053 -1.604 1
1 1131 . 8 1 1 A 102 102 LEU CB C 102 42.549 41.193 1.356 1
1 1135 . 8 1 1 A 102 102 LEU N N 102 122.544 118.643 3.901 1
1 1136 . 8 1 1 A 103 103 ASN H H 103 8.405 8.385 0.020 1
1 1137 . 8 1 1 A 103 103 ASN HA H 103 4.867 5.134 -0.267 1
1 1142 . 8 1 1 A 103 103 ASN CA C 103 51.316 50.234 1.082 1
1 1143 . 8 1 1 A 103 103 ASN CB C 103 39.049 39.653 -0.604 1
1 1144 . 8 1 1 A 103 103 ASN N N 103 120.174 117.739 2.435 1
1 1146 . 8 1 1 A 104 104 PRO HA H 104 4.230 3.141 1.089 1
1 1153 . 8 1 1 A 104 104 PRO CA C 104 63.559 61.839 1.720 1
1 1154 . 8 1 1 A 104 104 PRO CB C 104 32.102 31.406 0.696 1
1 1157 . 8 1 1 A 105 105 ILE H H 105 7.886 8.135 -0.249 1
1 1158 . 8 1 1 A 105 105 ILE HA H 105 3.941 4.537 -0.596 1
1 1168 . 8 1 1 A 105 105 ILE CA C 105 61.348 59.549 1.799 1
1 1169 . 8 1 1 A 105 105 ILE CB C 105 38.569 40.665 -2.096 1
1 1173 . 8 1 1 A 105 105 ILE N N 105 119.390 123.460 -4.070 1
1 1174 . 8 1 1 A 106 106 TYR H H 106 7.961 8.715 -0.754 1
1 1175 . 8 1 1 A 106 106 TYR HA H 106 4.536 4.806 -0.270 1
1 1182 . 8 1 1 A 106 106 TYR CA C 106 57.370 59.066 -1.696 1
1 1183 . 8 1 1 A 106 106 TYR CB C 106 38.889 40.638 -1.749 1
1 1184 . 8 1 1 A 106 106 TYR N N 106 123.172 123.757 -0.585 1
1 1185 . 8 1 1 A 107 107 ALA H H 107 8.128 7.734 0.394 1
1 1186 . 8 1 1 A 107 107 ALA HA H 107 4.217 4.339 -0.122 1
1 1190 . 8 1 1 A 107 107 ALA CA C 107 52.724 52.838 -0.114 1
1 1191 . 8 1 1 A 107 107 ALA CB C 107 19.133 19.641 -0.508 1
1 1192 . 8 1 1 A 107 107 ALA N N 107 125.520 122.714 2.806 1
1 1193 . 8 1 1 A 108 108 ASP H H 108 8.147 8.725 -0.578 1
1 1194 . 8 1 1 A 108 108 ASP HA H 108 4.511 5.022 -0.511 1
1 1197 . 8 1 1 A 108 108 ASP CA C 108 54.342 53.717 0.625 1
1 1198 . 8 1 1 A 108 108 ASP CB C 108 41.240 42.035 -0.795 1
1 1199 . 8 1 1 A 108 108 ASP N N 108 119.219 121.313 -2.094 1
1 1200 . 8 1 1 A 109 109 GLY H H 109 8.313 8.467 -0.154 1
1 1201 . 8 1 1 A 109 109 GLY HA2 H 109 3.946 4.407 -0.461 1
1 1202 . 8 1 1 A 109 109 GLY HA3 H 109 3.848 4.424 -0.576 1
1 1203 . 8 1 1 A 109 109 GLY CA C 109 45.692 44.904 0.788 1
1 1204 . 8 1 1 A 109 109 GLY N N 109 109.478 110.858 -1.380 1
1 1205 . 8 1 1 A 110 110 SER H H 110 8.175 8.947 -0.772 1
1 1206 . 8 1 1 A 110 110 SER HA H 110 4.286 4.240 0.046 1
1 1209 . 8 1 1 A 110 110 SER CA C 110 59.296 62.293 -2.997 1
1 1210 . 8 1 1 A 110 110 SER CB C 110 63.825 63.621 0.204 1
1 1211 . 8 1 1 A 110 110 SER N N 110 115.660 115.440 0.220 1
1 1212 . 8 1 1 A 111 111 HIS HA H 111 4.527 4.451 0.076 1
1 1215 . 8 1 1 A 111 111 HIS CA C 111 56.109 57.671 -1.562 1
1 1216 . 8 1 1 A 111 111 HIS CB C 111 30.580 29.087 1.493 1
1 1217 . 8 1 1 A 112 112 HIS HA H 112 4.535 5.327 -0.792 1
1 1220 . 8 1 1 A 112 112 HIS CA C 112 57.411 54.826 2.585 1
1 1221 . 8 1 1 A 112 112 HIS CB C 112 30.756 32.470 -1.714 1
1 2 . 9 1 1 A 2 2 VAL H H 2 8.613 7.799 0.814 1
1 3 . 9 1 1 A 2 2 VAL HA H 2 4.487 4.418 0.069 1
1 11 . 9 1 1 A 2 2 VAL CA C 2 61.103 61.630 -0.527 1
1 12 . 9 1 1 A 2 2 VAL CB C 2 35.731 33.643 2.088 1
1 15 . 9 1 1 A 2 2 VAL N N 2 117.956 118.101 -0.145 1
1 16 . 9 1 1 A 3 3 ILE H H 3 8.439 9.128 -0.689 1
1 17 . 9 1 1 A 3 3 ILE HA H 3 4.498 4.954 -0.456 1
1 27 . 9 1 1 A 3 3 ILE CA C 3 60.172 59.640 0.532 1
1 28 . 9 1 1 A 3 3 ILE CB C 3 38.528 41.463 -2.935 1
1 32 . 9 1 1 A 3 3 ILE N N 3 125.643 126.701 -1.058 1
1 33 . 9 1 1 A 4 4 ILE H H 4 8.543 8.589 -0.046 1
1 34 . 9 1 1 A 4 4 ILE HA H 4 4.005 4.761 -0.756 1
1 44 . 9 1 1 A 4 4 ILE CA C 4 61.550 59.909 1.641 1
1 45 . 9 1 1 A 4 4 ILE CB C 4 38.038 38.944 -0.906 1
1 49 . 9 1 1 A 4 4 ILE N N 4 127.460 126.790 0.670 1
1 50 . 9 1 1 A 5 5 LYS H H 5 8.292 8.800 -0.508 1
1 51 . 9 1 1 A 5 5 LYS HA H 5 5.173 4.908 0.265 1
1 60 . 9 1 1 A 5 5 LYS CA C 5 53.276 53.093 0.183 1
1 61 . 9 1 1 A 5 5 LYS CB C 5 33.713 35.473 -1.760 1
1 65 . 9 1 1 A 5 5 LYS N N 5 126.677 124.869 1.808 1
1 66 . 9 1 1 A 6 6 PRO HA H 6 4.383 4.637 -0.254 1
1 73 . 9 1 1 A 6 6 PRO CA C 6 62.444 62.742 -0.298 1
1 74 . 9 1 1 A 6 6 PRO CB C 6 32.018 33.152 -1.134 1
1 77 . 9 1 1 A 7 7 GLN H H 7 9.359 8.598 0.761 1
1 78 . 9 1 1 A 7 7 GLN HA H 7 4.406 4.476 -0.070 1
1 85 . 9 1 1 A 7 7 GLN CA C 7 56.357 55.877 0.480 1
1 86 . 9 1 1 A 7 7 GLN CB C 7 28.784 29.703 -0.919 1
1 88 . 9 1 1 A 7 7 GLN N N 7 119.975 119.718 0.257 1
1 90 . 9 1 1 A 8 8 VAL H H 8 7.032 7.369 -0.337 1
1 91 . 9 1 1 A 8 8 VAL HA H 8 4.486 4.742 -0.256 1
1 99 . 9 1 1 A 8 8 VAL CA C 8 58.874 58.851 0.023 1
1 100 . 9 1 1 A 8 8 VAL CB C 8 35.169 35.923 -0.754 1
1 103 . 9 1 1 A 8 8 VAL N N 8 111.122 117.889 -6.767 1
1 104 . 9 1 1 A 9 9 SER H H 9 8.210 8.604 -0.394 1
1 105 . 9 1 1 A 9 9 SER HA H 9 4.957 5.080 -0.123 1
1 108 . 9 1 1 A 9 9 SER CA C 9 56.585 56.885 -0.300 1
1 109 . 9 1 1 A 9 9 SER CB C 9 64.442 64.525 -0.083 1
1 110 . 9 1 1 A 9 9 SER N N 9 115.043 116.950 -1.907 1
1 111 . 9 1 1 A 10 10 GLY H H 10 8.003 8.076 -0.073 1
1 112 . 9 1 1 A 10 10 GLY HA2 H 10 4.412 4.151 0.261 1
1 113 . 9 1 1 A 10 10 GLY HA3 H 10 3.645 4.163 -0.518 1
1 114 . 9 1 1 A 10 10 GLY CA C 10 45.292 45.846 -0.554 1
1 115 . 9 1 1 A 10 10 GLY N N 10 108.708 110.402 -1.694 1
1 116 . 9 1 1 A 11 11 VAL H H 11 8.006 7.992 0.014 1
1 117 . 9 1 1 A 11 11 VAL HA H 11 4.743 4.676 0.067 1
1 125 . 9 1 1 A 11 11 VAL CA C 11 60.539 59.447 1.092 1
1 126 . 9 1 1 A 11 11 VAL CB C 11 34.951 35.855 -0.904 1
1 129 . 9 1 1 A 11 11 VAL N N 11 118.308 120.410 -2.102 1
1 130 . 9 1 1 A 12 12 ILE H H 12 8.459 8.548 -0.089 1
1 131 . 9 1 1 A 12 12 ILE HA H 12 4.050 4.213 -0.163 1
1 141 . 9 1 1 A 12 12 ILE CA C 12 60.287 62.671 -2.384 1
1 142 . 9 1 1 A 12 12 ILE CB C 12 35.650 37.939 -2.289 1
1 146 . 9 1 1 A 12 12 ILE N N 12 125.265 127.959 -2.694 1
1 147 . 9 1 1 A 13 13 VAL H H 13 8.908 9.382 -0.474 1
1 148 . 9 1 1 A 13 13 VAL HA H 13 4.500 4.188 0.312 1
1 156 . 9 1 1 A 13 13 VAL CA C 13 62.126 63.344 -1.218 1
1 157 . 9 1 1 A 13 13 VAL CB C 13 33.291 33.387 -0.096 1
1 160 . 9 1 1 A 13 13 VAL N N 13 124.479 126.358 -1.879 1
1 161 . 9 1 1 A 14 14 ASN H H 14 7.653 7.814 -0.161 1
1 162 . 9 1 1 A 14 14 ASN HA H 14 4.819 5.139 -0.320 1
1 167 . 9 1 1 A 14 14 ASN CA C 14 52.806 52.178 0.628 1
1 168 . 9 1 1 A 14 14 ASN CB C 14 41.978 42.237 -0.259 1
1 169 . 9 1 1 A 14 14 ASN N N 14 114.961 114.725 0.236 1
1 171 . 9 1 1 A 15 15 LYS H H 15 8.404 8.855 -0.451 1
1 172 . 9 1 1 A 15 15 LYS HA H 15 4.641 4.913 -0.272 1
1 179 . 9 1 1 A 15 15 LYS CA C 15 55.935 55.145 0.790 1
1 180 . 9 1 1 A 15 15 LYS CB C 15 35.274 33.792 1.482 1
1 183 . 9 1 1 A 15 15 LYS N N 15 123.768 119.793 3.975 1
1 184 . 9 1 1 A 16 16 LEU H H 16 8.020 8.625 -0.605 1
1 185 . 9 1 1 A 16 16 LEU HA H 16 4.611 4.512 0.099 1
1 195 . 9 1 1 A 16 16 LEU CA C 16 55.124 53.992 1.132 1
1 196 . 9 1 1 A 16 16 LEU CB C 16 41.308 39.969 1.339 1
1 200 . 9 1 1 A 16 16 LEU N N 16 126.162 126.830 -0.668 1
1 201 . 9 1 1 A 17 17 PHE H H 17 6.573 7.805 -1.232 1
1 202 . 9 1 1 A 17 17 PHE HA H 17 4.862 5.116 -0.254 1
1 207 . 9 1 1 A 17 17 PHE CA C 17 55.528 55.273 0.255 1
1 208 . 9 1 1 A 17 17 PHE CB C 17 41.093 42.022 -0.929 1
1 209 . 9 1 1 A 17 17 PHE N N 17 113.628 115.664 -2.036 1
1 210 . 9 1 1 A 18 18 LYS H H 18 8.655 8.505 0.150 1
1 211 . 9 1 1 A 18 18 LYS HA H 18 4.333 4.449 -0.116 1
1 220 . 9 1 1 A 18 18 LYS CA C 18 54.277 54.019 0.258 1
1 221 . 9 1 1 A 18 18 LYS CB C 18 35.134 36.179 -1.045 1
1 225 . 9 1 1 A 18 18 LYS N N 18 120.572 118.223 2.349 1
1 226 . 9 1 1 A 19 19 ALA H H 19 8.407 8.318 0.089 1
1 227 . 9 1 1 A 19 19 ALA HA H 19 3.962 4.792 -0.830 1
1 231 . 9 1 1 A 19 19 ALA CA C 19 53.980 52.575 1.405 1
1 232 . 9 1 1 A 19 19 ALA CB C 19 18.497 19.416 -0.919 1
1 233 . 9 1 1 A 19 19 ALA N N 19 123.842 124.521 -0.679 1
1 234 . 9 1 1 A 20 20 GLY H H 20 8.814 8.442 0.372 1
1 235 . 9 1 1 A 20 20 GLY HA2 H 20 4.313 3.859 0.454 1
1 236 . 9 1 1 A 20 20 GLY HA3 H 20 3.532 3.880 -0.348 1
1 237 . 9 1 1 A 20 20 GLY CA C 20 45.045 45.816 -0.771 1
1 238 . 9 1 1 A 20 20 GLY N N 20 112.434 111.476 0.958 1
1 239 . 9 1 1 A 21 21 ASP H H 21 7.933 8.044 -0.111 1
1 240 . 9 1 1 A 21 21 ASP HA H 21 4.499 4.993 -0.494 1
1 243 . 9 1 1 A 21 21 ASP CA C 21 55.383 53.030 2.353 1
1 244 . 9 1 1 A 21 21 ASP CB C 21 41.067 43.043 -1.976 1
1 245 . 9 1 1 A 21 21 ASP N N 21 121.505 120.244 1.261 1
1 246 . 9 1 1 A 22 22 LYS H H 22 8.311 8.622 -0.311 1
1 247 . 9 1 1 A 22 22 LYS HA H 22 4.871 5.147 -0.276 1
1 256 . 9 1 1 A 22 22 LYS CA C 22 55.659 55.731 -0.072 1
1 257 . 9 1 1 A 22 22 LYS CB C 22 31.820 33.989 -2.169 1
1 261 . 9 1 1 A 22 22 LYS N N 22 120.225 120.490 -0.265 1
1 262 . 9 1 1 A 23 23 VAL H H 23 8.935 9.139 -0.204 1
1 263 . 9 1 1 A 23 23 VAL HA H 23 4.841 4.982 -0.141 1
1 271 . 9 1 1 A 23 23 VAL CA C 23 58.502 59.822 -1.320 1
1 272 . 9 1 1 A 23 23 VAL CB C 23 34.507 34.179 0.328 1
1 275 . 9 1 1 A 23 23 VAL N N 23 117.700 118.819 -1.119 1
1 276 . 9 1 1 A 24 24 LYS H H 24 7.960 8.543 -0.583 1
1 277 . 9 1 1 A 24 24 LYS HA H 24 4.838 5.011 -0.173 1
1 286 . 9 1 1 A 24 24 LYS CA C 24 53.195 54.227 -1.032 1
1 287 . 9 1 1 A 24 24 LYS CB C 24 35.213 36.057 -0.844 1
1 291 . 9 1 1 A 24 24 LYS N N 24 121.958 120.699 1.259 1
1 292 . 9 1 1 A 25 25 LYS H H 25 8.915 8.464 0.451 1
1 293 . 9 1 1 A 25 25 LYS HA H 25 3.156 4.241 -1.085 1
1 300 . 9 1 1 A 25 25 LYS CA C 25 58.648 57.087 1.561 1
1 301 . 9 1 1 A 25 25 LYS CB C 25 32.648 31.206 1.442 1
1 304 . 9 1 1 A 25 25 LYS N N 25 121.653 121.241 0.412 1
1 305 . 9 1 1 A 26 26 GLY H H 26 8.900 8.694 0.206 1
1 306 . 9 1 1 A 26 26 GLY HA2 H 26 4.283 3.901 0.382 1
1 307 . 9 1 1 A 26 26 GLY HA3 H 26 3.471 3.916 -0.445 1
1 308 . 9 1 1 A 26 26 GLY CA C 26 45.263 45.431 -0.168 1
1 309 . 9 1 1 A 26 26 GLY N N 26 115.268 112.964 2.304 1
1 310 . 9 1 1 A 27 27 GLN H H 27 8.433 7.408 1.025 1
1 311 . 9 1 1 A 27 27 GLN HA H 27 4.141 4.351 -0.210 1
1 318 . 9 1 1 A 27 27 GLN CA C 27 56.324 55.857 0.467 1
1 319 . 9 1 1 A 27 27 GLN CB C 27 30.520 29.334 1.186 1
1 321 . 9 1 1 A 27 27 GLN N N 27 123.155 120.817 2.338 1
1 323 . 9 1 1 A 28 28 THR H H 28 9.110 8.871 0.239 1
1 324 . 9 1 1 A 28 28 THR HA H 28 3.893 4.361 -0.468 1
1 329 . 9 1 1 A 28 28 THR CA C 28 65.828 63.760 2.068 1
1 330 . 9 1 1 A 28 28 THR CB C 28 68.581 69.547 -0.966 1
1 332 . 9 1 1 A 28 28 THR N N 28 124.748 120.859 3.889 1
1 333 . 9 1 1 A 29 29 LEU H H 29 9.509 9.276 0.233 1
1 334 . 9 1 1 A 29 29 LEU HA H 29 4.383 4.667 -0.284 1
1 344 . 9 1 1 A 29 29 LEU CA C 29 55.795 55.529 0.266 1
1 345 . 9 1 1 A 29 29 LEU CB C 29 44.572 44.641 -0.069 1
1 349 . 9 1 1 A 29 29 LEU N N 29 125.873 126.695 -0.822 1
1 350 . 9 1 1 A 30 30 PHE H H 30 7.579 7.631 -0.052 1
1 351 . 9 1 1 A 30 30 PHE HA H 30 5.367 5.129 0.238 1
1 359 . 9 1 1 A 30 30 PHE CA C 30 55.486 56.215 -0.729 1
1 360 . 9 1 1 A 30 30 PHE CB C 30 44.887 43.825 1.062 1
1 361 . 9 1 1 A 30 30 PHE N N 30 111.134 115.329 -4.195 1
1 362 . 9 1 1 A 31 31 ILE H H 31 7.858 8.576 -0.718 1
1 363 . 9 1 1 A 31 31 ILE HA H 31 4.817 4.847 -0.030 1
1 373 . 9 1 1 A 31 31 ILE CA C 31 60.063 60.102 -0.039 1
1 374 . 9 1 1 A 31 31 ILE CB C 31 39.395 42.337 -2.942 1
1 378 . 9 1 1 A 31 31 ILE N N 31 119.416 119.490 -0.074 1
1 379 . 9 1 1 A 32 32 ILE H H 32 9.107 8.601 0.506 1
1 380 . 9 1 1 A 32 32 ILE HA H 32 4.842 5.021 -0.179 1
1 390 . 9 1 1 A 32 32 ILE CA C 32 59.002 59.907 -0.905 1
1 391 . 9 1 1 A 32 32 ILE CB C 32 42.048 42.445 -0.397 1
1 395 . 9 1 1 A 32 32 ILE N N 32 127.892 125.782 2.110 1
1 396 . 9 1 1 A 33 33 GLU H H 33 9.095 8.625 0.470 1
1 397 . 9 1 1 A 33 33 GLU HA H 33 4.642 5.120 -0.478 1
1 402 . 9 1 1 A 33 33 GLU CA C 33 54.985 55.074 -0.089 1
1 403 . 9 1 1 A 33 33 GLU CB C 33 31.672 31.489 0.183 1
1 405 . 9 1 1 A 33 33 GLU N N 33 128.157 124.498 3.659 1
1 406 . 9 1 1 A 34 34 GLN H H 34 8.725 8.593 0.132 1
1 407 . 9 1 1 A 34 34 GLN HA H 34 4.354 4.455 -0.101 1
1 414 . 9 1 1 A 34 34 GLN CA C 34 56.807 56.756 0.051 1
1 415 . 9 1 1 A 34 34 GLN CB C 34 30.119 29.484 0.635 1
1 417 . 9 1 1 A 34 34 GLN N N 34 128.123 123.540 4.583 1
1 419 . 9 1 1 A 35 35 ASP H H 35 8.524 8.301 0.223 1
1 420 . 9 1 1 A 35 35 ASP HA H 35 4.609 4.762 -0.153 1
1 423 . 9 1 1 A 35 35 ASP CA C 35 54.226 55.195 -0.969 1
1 424 . 9 1 1 A 35 35 ASP CB C 35 41.429 42.254 -0.825 1
1 425 . 9 1 1 A 35 35 ASP N N 35 122.485 122.418 0.067 1
1 426 . 9 1 1 A 36 36 GLN H H 36 8.576 7.496 1.080 1
1 427 . 9 1 1 A 36 36 GLN HA H 36 4.041 4.234 -0.193 1
1 434 . 9 1 1 A 36 36 GLN CA C 36 56.662 56.459 0.203 1
1 435 . 9 1 1 A 36 36 GLN CB C 36 29.166 29.223 -0.057 1
1 437 . 9 1 1 A 36 36 GLN N N 36 123.321 116.219 7.102 1
1 439 . 9 1 1 A 37 37 ALA H H 37 8.322 8.536 -0.214 1
1 440 . 9 1 1 A 37 37 ALA HA H 37 4.232 4.324 -0.092 1
1 444 . 9 1 1 A 37 37 ALA CA C 37 53.231 51.921 1.310 1
1 445 . 9 1 1 A 37 37 ALA CB C 37 19.020 19.077 -0.057 1
1 446 . 9 1 1 A 37 37 ALA N N 37 123.086 125.422 -2.336 1
1 447 . 9 1 1 A 38 38 SER H H 38 7.919 8.200 -0.281 1
1 448 . 9 1 1 A 38 38 SER HA H 38 4.283 4.382 -0.099 1
1 451 . 9 1 1 A 38 38 SER CA C 38 58.884 59.368 -0.484 1
1 452 . 9 1 1 A 38 38 SER CB C 38 63.835 62.181 1.654 1
1 453 . 9 1 1 A 38 38 SER N N 38 113.578 111.628 1.950 1
1 454 . 9 1 1 A 39 39 LYS H H 39 8.153 8.777 -0.624 1
1 455 . 9 1 1 A 39 39 LYS HA H 39 4.140 4.122 0.018 1
1 463 . 9 1 1 A 39 39 LYS CA C 39 57.127 59.621 -2.494 1
1 464 . 9 1 1 A 39 39 LYS CB C 39 32.812 32.374 0.438 1
1 468 . 9 1 1 A 39 39 LYS N N 39 122.651 125.742 -3.091 1
1 469 . 9 1 1 A 40 40 ASP H H 40 8.100 7.933 0.167 1
1 470 . 9 1 1 A 40 40 ASP HA H 40 4.532 4.208 0.324 1
1 473 . 9 1 1 A 40 40 ASP CA C 40 54.376 53.822 0.554 1
1 474 . 9 1 1 A 40 40 ASP CB C 40 41.245 41.165 0.080 1
1 475 . 9 1 1 A 40 40 ASP N N 40 119.441 116.281 3.160 1
1 476 . 9 1 1 A 41 41 PHE H H 41 7.924 8.043 -0.119 1
1 477 . 9 1 1 A 41 41 PHE HA H 41 4.384 4.233 0.151 1
1 484 . 9 1 1 A 41 41 PHE CA C 41 58.704 58.627 0.077 1
1 485 . 9 1 1 A 41 41 PHE CB C 41 39.397 36.476 2.921 1
1 486 . 9 1 1 A 41 41 PHE N N 41 121.124 118.472 2.652 1
1 487 . 9 1 1 A 42 42 ASN H H 42 8.311 8.326 -0.015 1
1 488 . 9 1 1 A 42 42 ASN HA H 42 4.523 5.264 -0.741 1
1 492 . 9 1 1 A 42 42 ASN CA C 42 53.133 50.873 2.260 1
1 493 . 9 1 1 A 42 42 ASN CB C 42 38.801 40.174 -1.373 1
1 494 . 9 1 1 A 42 42 ASN N N 42 120.181 118.490 1.691 1
1 496 . 9 1 1 A 43 43 ARG H H 43 8.133 8.585 -0.452 1
1 497 . 9 1 1 A 43 43 ARG HA H 43 4.115 4.739 -0.624 1
1 504 . 9 1 1 A 43 43 ARG CA C 43 57.051 55.259 1.792 1
1 505 . 9 1 1 A 43 43 ARG CB C 43 30.514 30.114 0.400 1
1 508 . 9 1 1 A 43 43 ARG N N 43 121.727 118.881 2.846 1
1 509 . 9 1 1 A 44 44 SER H H 44 8.174 8.271 -0.097 1
1 510 . 9 1 1 A 44 44 SER HA H 44 4.286 4.691 -0.405 1
1 513 . 9 1 1 A 44 44 SER CA C 44 59.344 57.545 1.799 1
1 514 . 9 1 1 A 44 44 SER CB C 44 63.357 63.398 -0.041 1
1 515 . 9 1 1 A 44 44 SER N N 44 115.718 116.157 -0.439 1
1 516 . 9 1 1 A 45 45 LYS H H 45 7.963 7.899 0.064 1
1 517 . 9 1 1 A 45 45 LYS HA H 45 4.123 4.112 0.011 1
1 526 . 9 1 1 A 45 45 LYS CA C 45 56.866 58.424 -1.558 1
1 527 . 9 1 1 A 45 45 LYS CB C 45 32.777 32.898 -0.121 1
1 530 . 9 1 1 A 45 45 LYS N N 45 122.326 122.397 -0.071 1
1 531 . 9 1 1 A 46 46 ALA H H 46 7.965 7.468 0.497 1
1 532 . 9 1 1 A 46 46 ALA HA H 46 4.165 4.478 -0.313 1
1 536 . 9 1 1 A 46 46 ALA CA C 46 52.999 52.223 0.776 1
1 537 . 9 1 1 A 46 46 ALA CB C 46 18.944 19.444 -0.500 1
1 538 . 9 1 1 A 46 46 ALA N N 46 123.536 116.202 7.334 1
1 539 . 9 1 1 A 47 47 LEU H H 47 7.898 8.856 -0.958 1
1 540 . 9 1 1 A 47 47 LEU HA H 47 4.158 5.286 -1.128 1
1 550 . 9 1 1 A 47 47 LEU CA C 47 55.583 53.256 2.327 1
1 551 . 9 1 1 A 47 47 LEU CB C 47 42.404 45.860 -3.456 1
1 555 . 9 1 1 A 47 47 LEU N N 47 119.914 121.407 -1.493 1
1 556 . 9 1 1 A 48 48 PHE H H 48 7.981 9.025 -1.044 1
1 557 . 9 1 1 A 48 48 PHE HA H 48 4.539 4.611 -0.072 1
1 564 . 9 1 1 A 48 48 PHE CA C 48 58.033 58.774 -0.741 1
1 565 . 9 1 1 A 48 48 PHE CB C 48 39.470 41.903 -2.433 1
1 566 . 9 1 1 A 48 48 PHE N N 48 119.602 121.285 -1.683 1
1 567 . 9 1 1 A 49 49 SER H H 49 8.028 8.034 -0.006 1
1 568 . 9 1 1 A 49 49 SER HA H 49 4.332 4.417 -0.085 1
1 571 . 9 1 1 A 49 49 SER CA C 49 58.581 60.048 -1.467 1
1 572 . 9 1 1 A 49 49 SER CB C 49 63.866 64.179 -0.313 1
1 573 . 9 1 1 A 49 49 SER N N 49 116.270 115.271 0.999 1
1 574 . 9 1 1 A 50 50 GLN H H 50 8.266 8.617 -0.351 1
1 575 . 9 1 1 A 50 50 GLN HA H 50 4.257 4.055 0.202 1
1 582 . 9 1 1 A 50 50 GLN CA C 50 56.435 56.610 -0.175 1
1 583 . 9 1 1 A 50 50 GLN CB C 50 29.204 28.196 1.008 1
1 585 . 9 1 1 A 50 50 GLN N N 50 121.931 123.918 -1.987 1
1 587 . 9 1 1 A 51 51 SER H H 51 8.147 9.019 -0.872 1
1 588 . 9 1 1 A 51 51 SER HA H 51 4.338 4.109 0.229 1
1 591 . 9 1 1 A 51 51 SER CA C 51 58.645 59.245 -0.600 1
1 592 . 9 1 1 A 51 51 SER CB C 51 63.784 61.761 2.023 1
1 593 . 9 1 1 A 51 51 SER N N 51 115.676 114.267 1.409 1
1 594 . 9 1 1 A 52 52 ALA H H 52 8.175 7.887 0.288 1
1 595 . 9 1 1 A 52 52 ALA HA H 52 4.265 4.238 0.027 1
1 599 . 9 1 1 A 52 52 ALA CA C 52 53.031 54.652 -1.621 1
1 600 . 9 1 1 A 52 52 ALA CB C 52 18.941 19.806 -0.865 1
1 601 . 9 1 1 A 52 52 ALA N N 52 125.360 120.552 4.808 1
1 602 . 9 1 1 A 53 53 ILE H H 53 7.870 7.899 -0.029 1
1 603 . 9 1 1 A 53 53 ILE HA H 53 4.099 4.652 -0.553 1
1 613 . 9 1 1 A 53 53 ILE CA C 53 61.558 59.840 1.718 1
1 614 . 9 1 1 A 53 53 ILE CB C 53 38.851 40.804 -1.953 1
1 618 . 9 1 1 A 53 53 ILE N N 53 118.231 117.345 0.886 1
1 619 . 9 1 1 A 54 54 SER H H 54 8.159 9.069 -0.910 1
1 620 . 9 1 1 A 54 54 SER HA H 54 4.384 5.149 -0.765 1
1 623 . 9 1 1 A 54 54 SER CA C 54 58.551 57.767 0.784 1
1 624 . 9 1 1 A 54 54 SER CB C 54 63.964 65.440 -1.476 1
1 625 . 9 1 1 A 54 54 SER N N 54 118.588 124.522 -5.934 1
1 626 . 9 1 1 A 55 55 GLN H H 55 8.301 8.783 -0.482 1
1 627 . 9 1 1 A 55 55 GLN HA H 55 4.214 3.592 0.622 1
1 634 . 9 1 1 A 55 55 GLN CA C 55 56.547 58.491 -1.944 1
1 635 . 9 1 1 A 55 55 GLN CB C 55 29.292 27.869 1.423 1
1 637 . 9 1 1 A 55 55 GLN N N 55 122.173 125.862 -3.689 1
1 639 . 9 1 1 A 56 56 LYS H H 56 8.163 7.741 0.422 1
1 640 . 9 1 1 A 56 56 LYS HA H 56 4.177 4.086 0.091 1
1 647 . 9 1 1 A 56 56 LYS CA C 56 56.978 59.553 -2.575 1
1 648 . 9 1 1 A 56 56 LYS CB C 56 32.855 32.405 0.450 1
1 651 . 9 1 1 A 56 56 LYS N N 56 121.126 120.467 0.659 1
1 652 . 9 1 1 A 57 57 GLU H H 57 8.211 8.151 0.060 1
1 653 . 9 1 1 A 57 57 GLU HA H 57 4.151 4.624 -0.473 1
1 658 . 9 1 1 A 57 57 GLU CA C 57 57.058 55.848 1.210 1
1 659 . 9 1 1 A 57 57 GLU CB C 57 30.211 31.157 -0.946 1
1 661 . 9 1 1 A 57 57 GLU N N 57 120.615 115.058 5.557 1
1 662 . 9 1 1 A 58 58 TYR H H 58 8.070 7.838 0.232 1
1 663 . 9 1 1 A 58 58 TYR HA H 58 4.375 4.392 -0.017 1
1 670 . 9 1 1 A 58 58 TYR CA C 58 58.570 57.878 0.692 1
1 671 . 9 1 1 A 58 58 TYR CB C 58 38.962 39.515 -0.553 1
1 672 . 9 1 1 A 58 58 TYR N N 58 120.822 119.303 1.519 1
1 673 . 9 1 1 A 59 59 ASP H H 59 8.146 8.334 -0.188 1
1 674 . 9 1 1 A 59 59 ASP HA H 59 4.492 4.811 -0.319 1
1 677 . 9 1 1 A 59 59 ASP CA C 59 54.396 51.640 2.756 1
1 678 . 9 1 1 A 59 59 ASP CB C 59 41.086 44.496 -3.410 1
1 679 . 9 1 1 A 59 59 ASP N N 59 122.551 121.545 1.006 1
1 680 . 9 1 1 A 60 60 SER H H 60 8.253 8.856 -0.603 1
1 681 . 9 1 1 A 60 60 SER HA H 60 4.260 4.360 -0.100 1
1 684 . 9 1 1 A 60 60 SER CA C 60 59.533 59.129 0.404 1
1 685 . 9 1 1 A 60 60 SER CB C 60 63.422 63.629 -0.207 1
1 686 . 9 1 1 A 60 60 SER N N 60 117.657 119.519 -1.862 1
1 687 . 9 1 1 A 61 61 SER H H 61 8.344 7.918 0.426 1
1 688 . 9 1 1 A 61 61 SER HA H 61 4.307 4.216 0.091 1
1 691 . 9 1 1 A 61 61 SER CA C 61 59.755 61.902 -2.147 1
1 692 . 9 1 1 A 61 61 SER CB C 61 63.582 62.464 1.118 1
1 693 . 9 1 1 A 61 61 SER N N 61 118.129 116.216 1.913 1
1 694 . 9 1 1 A 62 62 LEU H H 62 7.759 7.607 0.152 1
1 695 . 9 1 1 A 62 62 LEU HA H 62 4.234 4.317 -0.083 1
1 705 . 9 1 1 A 62 62 LEU CA C 62 55.464 56.401 -0.937 1
1 706 . 9 1 1 A 62 62 LEU CB C 62 42.238 41.753 0.485 1
1 710 . 9 1 1 A 62 62 LEU N N 62 122.627 117.254 5.373 1
1 711 . 9 1 1 A 63 63 ALA H H 63 7.919 7.804 0.115 1
1 712 . 9 1 1 A 63 63 ALA HA H 63 4.276 4.567 -0.291 1
1 716 . 9 1 1 A 63 63 ALA CA C 63 52.922 50.336 2.586 1
1 717 . 9 1 1 A 63 63 ALA CB C 63 19.221 20.050 -0.829 1
1 718 . 9 1 1 A 63 63 ALA N N 63 123.444 122.838 0.606 1
1 719 . 9 1 1 A 64 64 THR H H 64 7.890 8.675 -0.785 1
1 720 . 9 1 1 A 64 64 THR HA H 64 4.217 4.674 -0.457 1
1 725 . 9 1 1 A 64 64 THR CA C 64 61.787 60.189 1.598 1
1 726 . 9 1 1 A 64 64 THR CB C 64 69.719 68.022 1.697 1
1 728 . 9 1 1 A 64 64 THR N N 64 112.279 113.984 -1.705 1
1 729 . 9 1 1 A 65 65 LEU H H 65 8.009 8.018 -0.009 1
1 730 . 9 1 1 A 65 65 LEU HA H 65 4.295 4.054 0.241 1
1 740 . 9 1 1 A 65 65 LEU CA C 65 55.345 56.438 -1.093 1
1 741 . 9 1 1 A 65 65 LEU CB C 65 42.412 40.325 2.087 1
1 745 . 9 1 1 A 65 65 LEU N N 65 123.586 117.461 6.125 1
1 746 . 9 1 1 A 66 66 ASP H H 66 8.288 8.427 -0.139 1
1 747 . 9 1 1 A 66 66 ASP HA H 66 4.564 4.228 0.336 1
1 750 . 9 1 1 A 66 66 ASP CA C 66 54.676 54.576 0.100 1
1 751 . 9 1 1 A 66 66 ASP CB C 66 41.376 39.523 1.853 1
1 752 . 9 1 1 A 66 66 ASP N N 66 120.344 112.274 8.070 1
1 753 . 9 1 1 A 67 67 HIS H H 67 8.058 8.198 -0.140 1
1 754 . 9 1 1 A 67 67 HIS HA H 67 5.247 4.938 0.309 1
1 758 . 9 1 1 A 67 67 HIS CA C 67 55.260 55.355 -0.095 1
1 759 . 9 1 1 A 67 67 HIS CB C 67 31.974 30.455 1.519 1
1 760 . 9 1 1 A 67 67 HIS N N 67 119.406 119.917 -0.511 1
1 761 . 9 1 1 A 68 68 THR H H 68 8.919 8.819 0.100 1
1 762 . 9 1 1 A 68 68 THR HA H 68 4.484 4.675 -0.191 1
1 767 . 9 1 1 A 68 68 THR CA C 68 62.542 62.053 0.489 1
1 768 . 9 1 1 A 68 68 THR CB C 68 71.067 69.080 1.987 1
1 770 . 9 1 1 A 68 68 THR N N 68 117.233 119.216 -1.983 1
1 771 . 9 1 1 A 69 69 GLU H H 69 8.649 8.676 -0.027 1
1 772 . 9 1 1 A 69 69 GLU HA H 69 4.703 4.553 0.150 1
1 777 . 9 1 1 A 69 69 GLU CA C 69 55.886 56.633 -0.747 1
1 778 . 9 1 1 A 69 69 GLU CB C 69 31.746 30.253 1.493 1
1 780 . 9 1 1 A 69 69 GLU N N 69 124.187 126.710 -2.523 1
1 781 . 9 1 1 A 70 70 ILE H H 70 8.601 8.836 -0.235 1
1 782 . 9 1 1 A 70 70 ILE HA H 70 4.405 4.343 0.062 1
1 792 . 9 1 1 A 70 70 ILE CA C 70 59.234 60.785 -1.551 1
1 793 . 9 1 1 A 70 70 ILE CB C 70 37.318 37.297 0.021 1
1 797 . 9 1 1 A 70 70 ILE N N 70 123.482 125.647 -2.165 1
1 798 . 9 1 1 A 71 71 LYS H H 71 8.926 8.932 -0.006 1
1 799 . 9 1 1 A 71 71 LYS HA H 71 5.078 5.255 -0.177 1
1 806 . 9 1 1 A 71 71 LYS CA C 71 54.584 54.547 0.037 1
1 807 . 9 1 1 A 71 71 LYS CB C 71 36.281 35.239 1.042 1
1 810 . 9 1 1 A 71 71 LYS N N 71 128.267 125.223 3.044 1
1 811 . 9 1 1 A 72 72 ALA H H 72 8.633 8.622 0.011 1
1 812 . 9 1 1 A 72 72 ALA HA H 72 4.067 4.301 -0.234 1
1 816 . 9 1 1 A 72 72 ALA CA C 72 49.967 50.845 -0.878 1
1 817 . 9 1 1 A 72 72 ALA CB C 72 17.255 17.866 -0.611 1
1 818 . 9 1 1 A 72 72 ALA N N 72 123.088 124.948 -1.860 1
1 819 . 9 1 1 A 73 73 PRO HA H 73 4.333 4.188 0.145 1
1 826 . 9 1 1 A 73 73 PRO CA C 73 63.716 64.079 -0.363 1
1 827 . 9 1 1 A 73 73 PRO CB C 73 31.915 31.374 0.541 1
1 830 . 9 1 1 A 74 74 PHE H H 74 6.768 7.047 -0.279 1
1 831 . 9 1 1 A 74 74 PHE HA H 74 4.421 4.861 -0.440 1
1 838 . 9 1 1 A 74 74 PHE CA C 74 54.396 56.276 -1.880 1
1 839 . 9 1 1 A 74 74 PHE CB C 74 40.697 40.094 0.603 1
1 840 . 9 1 1 A 74 74 PHE N N 74 112.022 112.060 -0.038 1
1 841 . 9 1 1 A 75 75 ASP H H 75 8.583 8.589 -0.006 1
1 842 . 9 1 1 A 75 75 ASP HA H 75 4.922 4.910 0.012 1
1 845 . 9 1 1 A 75 75 ASP CA C 75 53.873 55.248 -1.375 1
1 846 . 9 1 1 A 75 75 ASP CB C 75 40.839 41.053 -0.214 1
1 847 . 9 1 1 A 75 75 ASP N N 75 118.252 119.452 -1.200 1
1 848 . 9 1 1 A 76 76 GLY H H 76 8.348 8.190 0.158 1
1 849 . 9 1 1 A 76 76 GLY HA2 H 76 4.236 4.402 -0.166 1
1 850 . 9 1 1 A 76 76 GLY HA3 H 76 4.075 4.445 -0.370 1
1 851 . 9 1 1 A 76 76 GLY CA C 76 46.639 46.316 0.323 1
1 852 . 9 1 1 A 76 76 GLY N N 76 108.729 108.270 0.459 1
1 853 . 9 1 1 A 77 77 THR H H 77 8.623 8.379 0.244 1
1 854 . 9 1 1 A 77 77 THR HA H 77 4.975 5.004 -0.029 1
1 859 . 9 1 1 A 77 77 THR CA C 77 61.752 61.212 0.540 1
1 860 . 9 1 1 A 77 77 THR CB C 77 70.121 70.634 -0.513 1
1 862 . 9 1 1 A 77 77 THR N N 77 116.400 115.957 0.443 1
1 863 . 9 1 1 A 78 78 ILE H H 78 8.824 8.725 0.099 1
1 864 . 9 1 1 A 78 78 ILE HA H 78 4.673 4.439 0.234 1
1 874 . 9 1 1 A 78 78 ILE CA C 78 60.164 61.876 -1.712 1
1 875 . 9 1 1 A 78 78 ILE CB C 78 42.973 38.939 4.034 1
1 879 . 9 1 1 A 78 78 ILE N N 78 129.310 130.074 -0.764 1
1 880 . 9 1 1 A 79 79 GLY H H 79 8.060 8.280 -0.220 1
1 881 . 9 1 1 A 79 79 GLY HA2 H 79 4.404 4.177 0.227 1
1 882 . 9 1 1 A 79 79 GLY HA3 H 79 3.775 4.185 -0.410 1
1 883 . 9 1 1 A 79 79 GLY CA C 79 44.149 44.551 -0.402 1
1 884 . 9 1 1 A 79 79 GLY N N 79 114.539 115.391 -0.852 1
1 885 . 9 1 1 A 80 80 ASP H H 80 7.804 8.465 -0.661 1
1 886 . 9 1 1 A 80 80 ASP HA H 80 4.703 5.599 -0.896 1
1 889 . 9 1 1 A 80 80 ASP CA C 80 53.703 52.891 0.812 1
1 890 . 9 1 1 A 80 80 ASP CB C 80 41.918 43.468 -1.550 1
1 891 . 9 1 1 A 80 80 ASP N N 80 113.688 122.410 -8.722 1
1 892 . 9 1 1 A 81 81 ALA H H 81 8.566 9.228 -0.662 1
1 893 . 9 1 1 A 81 81 ALA HA H 81 4.571 4.482 0.089 1
1 897 . 9 1 1 A 81 81 ALA CA C 81 53.312 52.594 0.718 1
1 898 . 9 1 1 A 81 81 ALA CB C 81 20.381 19.306 1.075 1
1 899 . 9 1 1 A 81 81 ALA N N 81 124.136 127.353 -3.217 1
1 900 . 9 1 1 A 82 82 LEU H H 82 8.747 8.481 0.266 1
1 901 . 9 1 1 A 82 82 LEU HA H 82 4.345 4.663 -0.318 1
1 910 . 9 1 1 A 82 82 LEU CA C 82 55.210 55.134 0.076 1
1 911 . 9 1 1 A 82 82 LEU CB C 82 41.457 43.807 -2.350 1
1 914 . 9 1 1 A 82 82 LEU N N 82 121.773 119.508 2.265 1
1 915 . 9 1 1 A 83 83 VAL H H 83 7.141 7.282 -0.141 1
1 916 . 9 1 1 A 83 83 VAL HA H 83 4.496 4.757 -0.261 1
1 924 . 9 1 1 A 83 83 VAL CA C 83 58.502 59.705 -1.203 1
1 925 . 9 1 1 A 83 83 VAL CB C 83 35.229 34.726 0.503 1
1 928 . 9 1 1 A 83 83 VAL N N 83 108.169 115.648 -7.479 1
1 929 . 9 1 1 A 84 84 ASN H H 84 9.076 8.727 0.349 1
1 930 . 9 1 1 A 84 84 ASN HA H 84 4.887 5.371 -0.484 1
1 935 . 9 1 1 A 84 84 ASN CA C 84 51.248 51.776 -0.528 1
1 936 . 9 1 1 A 84 84 ASN CB C 84 41.989 42.925 -0.936 1
1 937 . 9 1 1 A 84 84 ASN N N 84 119.502 118.384 1.118 1
1 939 . 9 1 1 A 85 85 ILE H H 85 8.404 8.458 -0.054 1
1 940 . 9 1 1 A 85 85 ILE HA H 85 3.393 3.918 -0.525 1
1 950 . 9 1 1 A 85 85 ILE CA C 85 63.873 63.404 0.469 1
1 951 . 9 1 1 A 85 85 ILE CB C 85 37.146 38.165 -1.019 1
1 955 . 9 1 1 A 85 85 ILE N N 85 119.409 122.027 -2.618 1
1 956 . 9 1 1 A 86 86 GLY H H 86 9.239 8.662 0.577 1
1 957 . 9 1 1 A 86 86 GLY HA2 H 86 4.401 3.961 0.440 1
1 958 . 9 1 1 A 86 86 GLY HA3 H 86 3.411 3.965 -0.554 1
1 959 . 9 1 1 A 86 86 GLY CA C 86 44.869 45.310 -0.441 1
1 960 . 9 1 1 A 86 86 GLY N N 86 117.321 115.232 2.089 1
1 961 . 9 1 1 A 87 87 ASP H H 87 7.968 8.005 -0.037 1
1 962 . 9 1 1 A 87 87 ASP HA H 87 4.607 4.955 -0.348 1
1 965 . 9 1 1 A 87 87 ASP CA C 87 54.886 53.124 1.762 1
1 966 . 9 1 1 A 87 87 ASP CB C 87 40.771 43.093 -2.322 1
1 967 . 9 1 1 A 87 87 ASP N N 87 121.490 120.763 0.727 1
1 968 . 9 1 1 A 88 88 TYR H H 88 8.566 8.945 -0.379 1
1 969 . 9 1 1 A 88 88 TYR HA H 88 4.712 4.535 0.177 1
1 976 . 9 1 1 A 88 88 TYR CA C 88 57.826 59.580 -1.754 1
1 977 . 9 1 1 A 88 88 TYR CB C 88 39.243 39.327 -0.084 1
1 978 . 9 1 1 A 88 88 TYR N N 88 122.340 126.065 -3.725 1
1 979 . 9 1 1 A 89 89 VAL H H 89 8.951 8.242 0.709 1
1 980 . 9 1 1 A 89 89 VAL HA H 89 4.578 4.736 -0.158 1
1 988 . 9 1 1 A 89 89 VAL CA C 89 58.339 59.452 -1.113 1
1 989 . 9 1 1 A 89 89 VAL CB C 89 34.321 35.918 -1.597 1
1 992 . 9 1 1 A 89 89 VAL N N 89 121.914 120.982 0.932 1
1 993 . 9 1 1 A 90 90 SER H H 90 8.777 9.095 -0.318 1
1 994 . 9 1 1 A 90 90 SER HA H 90 4.750 4.543 0.207 1
1 997 . 9 1 1 A 90 90 SER CA C 90 56.895 57.003 -0.108 1
1 998 . 9 1 1 A 90 90 SER CB C 90 64.866 65.388 -0.522 1
1 999 . 9 1 1 A 90 90 SER N N 90 114.813 119.052 -4.239 1
1 1000 . 9 1 1 A 91 91 ALA H H 91 8.712 8.893 -0.181 1
1 1001 . 9 1 1 A 91 91 ALA HA H 91 3.515 4.015 -0.500 1
1 1005 . 9 1 1 A 91 91 ALA CA C 91 53.317 54.904 -1.587 1
1 1006 . 9 1 1 A 91 91 ALA CB C 91 18.678 18.992 -0.314 1
1 1007 . 9 1 1 A 91 91 ALA N N 91 129.870 124.313 5.557 1
1 1008 . 9 1 1 A 92 92 SER H H 92 9.170 8.020 1.150 1
1 1009 . 9 1 1 A 92 92 SER HA H 92 3.817 4.421 -0.604 1
1 1012 . 9 1 1 A 92 92 SER CA C 92 60.652 58.425 2.227 1
1 1013 . 9 1 1 A 92 92 SER CB C 92 62.505 63.460 -0.955 1
1 1014 . 9 1 1 A 92 92 SER N N 92 113.294 112.178 1.116 1
1 1015 . 9 1 1 A 93 93 THR H H 93 7.816 7.595 0.221 1
1 1016 . 9 1 1 A 93 93 THR HA H 93 4.402 4.208 0.194 1
1 1021 . 9 1 1 A 93 93 THR CA C 93 64.378 63.910 0.468 1
1 1022 . 9 1 1 A 93 93 THR CB C 93 70.948 69.119 1.829 1
1 1024 . 9 1 1 A 93 93 THR N N 93 113.858 113.344 0.514 1
1 1025 . 9 1 1 A 94 94 THR H H 94 7.702 7.705 -0.003 1
1 1026 . 9 1 1 A 94 94 THR HA H 94 3.910 4.398 -0.488 1
1 1031 . 9 1 1 A 94 94 THR CA C 94 65.140 61.743 3.397 1
1 1032 . 9 1 1 A 94 94 THR CB C 94 70.001 68.258 1.743 1
1 1034 . 9 1 1 A 94 94 THR N N 94 119.588 114.883 4.705 1
1 1035 . 9 1 1 A 95 95 GLU H H 95 8.407 8.416 -0.009 1
1 1036 . 9 1 1 A 95 95 GLU HA H 95 3.801 4.481 -0.680 1
1 1041 . 9 1 1 A 95 95 GLU CA C 95 56.613 55.931 0.682 1
1 1042 . 9 1 1 A 95 95 GLU CB C 95 29.600 28.933 0.667 1
1 1044 . 9 1 1 A 95 95 GLU N N 95 124.764 126.691 -1.927 1
1 1045 . 9 1 1 A 96 96 LEU H H 96 8.750 7.797 0.953 1
1 1046 . 9 1 1 A 96 96 LEU HA H 96 4.260 3.880 0.380 1
1 1056 . 9 1 1 A 96 96 LEU CA C 96 56.927 58.086 -1.159 1
1 1057 . 9 1 1 A 96 96 LEU CB C 96 43.310 41.166 2.144 1
1 1061 . 9 1 1 A 96 96 LEU N N 96 120.035 121.405 -1.370 1
1 1062 . 9 1 1 A 97 97 VAL H H 97 7.053 7.531 -0.478 1
1 1063 . 9 1 1 A 97 97 VAL HA H 97 4.345 4.592 -0.247 1
1 1071 . 9 1 1 A 97 97 VAL CA C 97 61.291 59.575 1.716 1
1 1072 . 9 1 1 A 97 97 VAL CB C 97 31.577 35.684 -4.107 1
1 1075 . 9 1 1 A 97 97 VAL N N 97 112.365 117.567 -5.202 1
1 1076 . 9 1 1 A 98 98 ARG H H 98 8.980 8.913 0.067 1
1 1077 . 9 1 1 A 98 98 ARG HA H 98 5.267 5.018 0.249 1
1 1084 . 9 1 1 A 98 98 ARG CA C 98 55.195 54.259 0.936 1
1 1085 . 9 1 1 A 98 98 ARG CB C 98 32.818 33.898 -1.080 1
1 1088 . 9 1 1 A 98 98 ARG N N 98 127.477 126.338 1.139 1
1 1089 . 9 1 1 A 99 99 VAL H H 99 8.887 9.086 -0.199 1
1 1090 . 9 1 1 A 99 99 VAL HA H 99 4.556 5.320 -0.764 1
1 1095 . 9 1 1 A 99 99 VAL CA C 99 60.968 60.356 0.612 1
1 1096 . 9 1 1 A 99 99 VAL CB C 99 34.186 34.444 -0.258 1
1 1098 . 9 1 1 A 99 99 VAL N N 99 122.826 116.163 6.663 1
1 1099 . 9 1 1 A 100 100 THR H H 100 8.833 9.040 -0.207 1
1 1100 . 9 1 1 A 100 100 THR HA H 100 4.559 4.847 -0.288 1
1 1105 . 9 1 1 A 100 100 THR CA C 100 61.080 60.169 0.911 1
1 1106 . 9 1 1 A 100 100 THR CB C 100 70.669 71.714 -1.045 1
1 1108 . 9 1 1 A 100 100 THR N N 100 121.816 113.252 8.564 1
1 1109 . 9 1 1 A 101 101 ASN H H 101 8.153 8.921 -0.768 1
1 1110 . 9 1 1 A 101 101 ASN HA H 101 4.518 4.353 0.165 1
1 1115 . 9 1 1 A 101 101 ASN CA C 101 54.238 53.877 0.361 1
1 1116 . 9 1 1 A 101 101 ASN CB C 101 38.470 37.132 1.338 1
1 1117 . 9 1 1 A 101 101 ASN N N 101 122.733 118.831 3.902 1
1 1119 . 9 1 1 A 102 102 LEU H H 102 8.160 7.471 0.689 1
1 1120 . 9 1 1 A 102 102 LEU HA H 102 4.245 4.774 -0.529 1
1 1130 . 9 1 1 A 102 102 LEU CA C 102 55.449 53.006 2.443 1
1 1131 . 9 1 1 A 102 102 LEU CB C 102 42.549 45.499 -2.950 1
1 1135 . 9 1 1 A 102 102 LEU N N 102 122.544 118.029 4.515 1
1 1136 . 9 1 1 A 103 103 ASN H H 103 8.405 8.399 0.006 1
1 1137 . 9 1 1 A 103 103 ASN HA H 103 4.867 4.704 0.163 1
1 1142 . 9 1 1 A 103 103 ASN CA C 103 51.316 52.072 -0.756 1
1 1143 . 9 1 1 A 103 103 ASN CB C 103 39.049 37.490 1.559 1
1 1144 . 9 1 1 A 103 103 ASN N N 103 120.174 118.723 1.451 1
1 1146 . 9 1 1 A 104 104 PRO HA H 104 4.230 4.763 -0.533 1
1 1153 . 9 1 1 A 104 104 PRO CA C 104 63.559 62.664 0.895 1
1 1154 . 9 1 1 A 104 104 PRO CB C 104 32.102 30.784 1.318 1
1 1157 . 9 1 1 A 105 105 ILE H H 105 7.886 8.322 -0.436 1
1 1158 . 9 1 1 A 105 105 ILE HA H 105 3.941 4.392 -0.451 1
1 1168 . 9 1 1 A 105 105 ILE CA C 105 61.348 60.955 0.393 1
1 1169 . 9 1 1 A 105 105 ILE CB C 105 38.569 37.668 0.901 1
1 1173 . 9 1 1 A 105 105 ILE N N 105 119.390 124.241 -4.851 1
1 1174 . 9 1 1 A 106 106 TYR H H 106 7.961 8.942 -0.981 1
1 1175 . 9 1 1 A 106 106 TYR HA H 106 4.536 5.097 -0.561 1
1 1182 . 9 1 1 A 106 106 TYR CA C 106 57.370 56.410 0.960 1
1 1183 . 9 1 1 A 106 106 TYR CB C 106 38.889 41.701 -2.812 1
1 1184 . 9 1 1 A 106 106 TYR N N 106 123.172 124.555 -1.383 1
1 1185 . 9 1 1 A 107 107 ALA H H 107 8.128 8.525 -0.397 1
1 1186 . 9 1 1 A 107 107 ALA HA H 107 4.217 4.824 -0.607 1
1 1190 . 9 1 1 A 107 107 ALA CA C 107 52.724 52.068 0.656 1
1 1191 . 9 1 1 A 107 107 ALA CB C 107 19.133 20.211 -1.078 1
1 1192 . 9 1 1 A 107 107 ALA N N 107 125.520 124.310 1.210 1
1 1193 . 9 1 1 A 108 108 ASP H H 108 8.147 8.857 -0.710 1
1 1194 . 9 1 1 A 108 108 ASP HA H 108 4.511 4.948 -0.437 1
1 1197 . 9 1 1 A 108 108 ASP CA C 108 54.342 53.782 0.560 1
1 1198 . 9 1 1 A 108 108 ASP CB C 108 41.240 42.683 -1.443 1
1 1199 . 9 1 1 A 108 108 ASP N N 108 119.219 123.466 -4.247 1
1 1200 . 9 1 1 A 109 109 GLY H H 109 8.313 8.478 -0.165 1
1 1201 . 9 1 1 A 109 109 GLY HA2 H 109 3.946 4.339 -0.393 1
1 1202 . 9 1 1 A 109 109 GLY HA3 H 109 3.848 4.346 -0.498 1
1 1203 . 9 1 1 A 109 109 GLY CA C 109 45.692 45.342 0.350 1
1 1204 . 9 1 1 A 109 109 GLY N N 109 109.478 108.004 1.474 1
1 1205 . 9 1 1 A 110 110 SER H H 110 8.175 8.688 -0.513 1
1 1206 . 9 1 1 A 110 110 SER HA H 110 4.286 4.243 0.043 1
1 1209 . 9 1 1 A 110 110 SER CA C 110 59.296 60.852 -1.556 1
1 1210 . 9 1 1 A 110 110 SER CB C 110 63.825 63.451 0.374 1
1 1211 . 9 1 1 A 110 110 SER N N 110 115.660 115.015 0.645 1
1 1212 . 9 1 1 A 111 111 HIS HA H 111 4.527 4.201 0.326 1
1 1215 . 9 1 1 A 111 111 HIS CA C 111 56.109 56.691 -0.582 1
1 1216 . 9 1 1 A 111 111 HIS CB C 111 30.580 28.160 2.420 1
1 1217 . 9 1 1 A 112 112 HIS HA H 112 4.535 4.761 -0.226 1
1 1220 . 9 1 1 A 112 112 HIS CA C 112 57.411 55.653 1.758 1
1 1221 . 9 1 1 A 112 112 HIS CB C 112 30.756 31.561 -0.805 1
1 2 . 10 1 1 A 2 2 VAL H H 2 8.613 7.243 1.370 1
1 3 . 10 1 1 A 2 2 VAL HA H 2 4.487 5.028 -0.541 1
1 11 . 10 1 1 A 2 2 VAL CA C 2 61.103 59.043 2.060 1
1 12 . 10 1 1 A 2 2 VAL CB C 2 35.731 36.108 -0.377 1
1 15 . 10 1 1 A 2 2 VAL N N 2 117.956 113.536 4.420 1
1 16 . 10 1 1 A 3 3 ILE H H 3 8.439 8.967 -0.528 1
1 17 . 10 1 1 A 3 3 ILE HA H 3 4.498 4.660 -0.162 1
1 27 . 10 1 1 A 3 3 ILE CA C 3 60.172 59.602 0.570 1
1 28 . 10 1 1 A 3 3 ILE CB C 3 38.528 41.018 -2.490 1
1 32 . 10 1 1 A 3 3 ILE N N 3 125.643 121.918 3.725 1
1 33 . 10 1 1 A 4 4 ILE H H 4 8.543 8.339 0.204 1
1 34 . 10 1 1 A 4 4 ILE HA H 4 4.005 4.117 -0.112 1
1 44 . 10 1 1 A 4 4 ILE CA C 4 61.550 61.201 0.349 1
1 45 . 10 1 1 A 4 4 ILE CB C 4 38.038 36.618 1.420 1
1 49 . 10 1 1 A 4 4 ILE N N 4 127.460 127.977 -0.517 1
1 50 . 10 1 1 A 5 5 LYS H H 5 8.292 8.746 -0.454 1
1 51 . 10 1 1 A 5 5 LYS HA H 5 5.173 4.585 0.588 1
1 60 . 10 1 1 A 5 5 LYS CA C 5 53.276 52.882 0.394 1
1 61 . 10 1 1 A 5 5 LYS CB C 5 33.713 34.109 -0.396 1
1 65 . 10 1 1 A 5 5 LYS N N 5 126.677 126.768 -0.091 1
1 66 . 10 1 1 A 6 6 PRO HA H 6 4.383 4.590 -0.207 1
1 73 . 10 1 1 A 6 6 PRO CA C 6 62.444 62.251 0.193 1
1 74 . 10 1 1 A 6 6 PRO CB C 6 32.018 33.333 -1.315 1
1 77 . 10 1 1 A 7 7 GLN H H 7 9.359 8.250 1.109 1
1 78 . 10 1 1 A 7 7 GLN HA H 7 4.406 4.504 -0.098 1
1 85 . 10 1 1 A 7 7 GLN CA C 7 56.357 55.139 1.218 1
1 86 . 10 1 1 A 7 7 GLN CB C 7 28.784 29.478 -0.694 1
1 88 . 10 1 1 A 7 7 GLN N N 7 119.975 116.100 3.875 1
1 90 . 10 1 1 A 8 8 VAL H H 8 7.032 7.414 -0.382 1
1 91 . 10 1 1 A 8 8 VAL HA H 8 4.486 4.711 -0.225 1
1 99 . 10 1 1 A 8 8 VAL CA C 8 58.874 58.945 -0.071 1
1 100 . 10 1 1 A 8 8 VAL CB C 8 35.169 35.844 -0.675 1
1 103 . 10 1 1 A 8 8 VAL N N 8 111.122 116.119 -4.997 1
1 104 . 10 1 1 A 9 9 SER H H 9 8.210 8.618 -0.408 1
1 105 . 10 1 1 A 9 9 SER HA H 9 4.957 4.888 0.069 1
1 108 . 10 1 1 A 9 9 SER CA C 9 56.585 57.527 -0.942 1
1 109 . 10 1 1 A 9 9 SER CB C 9 64.442 64.573 -0.131 1
1 110 . 10 1 1 A 9 9 SER N N 9 115.043 119.101 -4.058 1
1 111 . 10 1 1 A 10 10 GLY H H 10 8.003 7.700 0.303 1
1 112 . 10 1 1 A 10 10 GLY HA2 H 10 4.412 4.057 0.355 1
1 113 . 10 1 1 A 10 10 GLY HA3 H 10 3.645 4.121 -0.476 1
1 114 . 10 1 1 A 10 10 GLY CA C 10 45.292 45.886 -0.594 1
1 115 . 10 1 1 A 10 10 GLY N N 10 108.708 111.247 -2.539 1
1 116 . 10 1 1 A 11 11 VAL H H 11 8.006 7.926 0.080 1
1 117 . 10 1 1 A 11 11 VAL HA H 11 4.743 4.638 0.105 1
1 125 . 10 1 1 A 11 11 VAL CA C 11 60.539 59.415 1.124 1
1 126 . 10 1 1 A 11 11 VAL CB C 11 34.951 35.625 -0.674 1
1 129 . 10 1 1 A 11 11 VAL N N 11 118.308 120.298 -1.990 1
1 130 . 10 1 1 A 12 12 ILE H H 12 8.459 8.601 -0.142 1
1 131 . 10 1 1 A 12 12 ILE HA H 12 4.050 4.275 -0.225 1
1 141 . 10 1 1 A 12 12 ILE CA C 12 60.287 62.554 -2.267 1
1 142 . 10 1 1 A 12 12 ILE CB C 12 35.650 38.025 -2.375 1
1 146 . 10 1 1 A 12 12 ILE N N 12 125.265 127.820 -2.555 1
1 147 . 10 1 1 A 13 13 VAL H H 13 8.908 9.446 -0.538 1
1 148 . 10 1 1 A 13 13 VAL HA H 13 4.500 4.155 0.345 1
1 156 . 10 1 1 A 13 13 VAL CA C 13 62.126 63.344 -1.218 1
1 157 . 10 1 1 A 13 13 VAL CB C 13 33.291 33.258 0.033 1
1 160 . 10 1 1 A 13 13 VAL N N 13 124.479 126.173 -1.694 1
1 161 . 10 1 1 A 14 14 ASN H H 14 7.653 7.787 -0.134 1
1 162 . 10 1 1 A 14 14 ASN HA H 14 4.819 5.145 -0.326 1
1 167 . 10 1 1 A 14 14 ASN CA C 14 52.806 52.421 0.385 1
1 168 . 10 1 1 A 14 14 ASN CB C 14 41.978 41.873 0.105 1
1 169 . 10 1 1 A 14 14 ASN N N 14 114.961 114.540 0.421 1
1 171 . 10 1 1 A 15 15 LYS H H 15 8.404 8.730 -0.326 1
1 172 . 10 1 1 A 15 15 LYS HA H 15 4.641 4.782 -0.141 1
1 179 . 10 1 1 A 15 15 LYS CA C 15 55.935 54.839 1.096 1
1 180 . 10 1 1 A 15 15 LYS CB C 15 35.274 34.135 1.139 1
1 183 . 10 1 1 A 15 15 LYS N N 15 123.768 120.033 3.735 1
1 184 . 10 1 1 A 16 16 LEU H H 16 8.020 8.824 -0.804 1
1 185 . 10 1 1 A 16 16 LEU HA H 16 4.611 4.533 0.078 1
1 195 . 10 1 1 A 16 16 LEU CA C 16 55.124 53.941 1.183 1
1 196 . 10 1 1 A 16 16 LEU CB C 16 41.308 40.019 1.289 1
1 200 . 10 1 1 A 16 16 LEU N N 16 126.162 127.167 -1.005 1
1 201 . 10 1 1 A 17 17 PHE H H 17 6.573 7.974 -1.401 1
1 202 . 10 1 1 A 17 17 PHE HA H 17 4.862 5.200 -0.338 1
1 207 . 10 1 1 A 17 17 PHE CA C 17 55.528 55.460 0.068 1
1 208 . 10 1 1 A 17 17 PHE CB C 17 41.093 42.531 -1.438 1
1 209 . 10 1 1 A 17 17 PHE N N 17 113.628 116.373 -2.745 1
1 210 . 10 1 1 A 18 18 LYS H H 18 8.655 8.497 0.158 1
1 211 . 10 1 1 A 18 18 LYS HA H 18 4.333 4.436 -0.103 1
1 220 . 10 1 1 A 18 18 LYS CA C 18 54.277 54.047 0.230 1
1 221 . 10 1 1 A 18 18 LYS CB C 18 35.134 36.126 -0.992 1
1 225 . 10 1 1 A 18 18 LYS N N 18 120.572 118.646 1.926 1
1 226 . 10 1 1 A 19 19 ALA H H 19 8.407 8.311 0.096 1
1 227 . 10 1 1 A 19 19 ALA HA H 19 3.962 4.718 -0.756 1
1 231 . 10 1 1 A 19 19 ALA CA C 19 53.980 52.783 1.197 1
1 232 . 10 1 1 A 19 19 ALA CB C 19 18.497 19.159 -0.662 1
1 233 . 10 1 1 A 19 19 ALA N N 19 123.842 125.018 -1.176 1
1 234 . 10 1 1 A 20 20 GLY H H 20 8.814 8.493 0.321 1
1 235 . 10 1 1 A 20 20 GLY HA2 H 20 4.313 3.930 0.383 1
1 236 . 10 1 1 A 20 20 GLY HA3 H 20 3.532 3.950 -0.418 1
1 237 . 10 1 1 A 20 20 GLY CA C 20 45.045 45.618 -0.573 1
1 238 . 10 1 1 A 20 20 GLY N N 20 112.434 111.254 1.180 1
1 239 . 10 1 1 A 21 21 ASP H H 21 7.933 7.965 -0.032 1
1 240 . 10 1 1 A 21 21 ASP HA H 21 4.499 5.062 -0.563 1
1 243 . 10 1 1 A 21 21 ASP CA C 21 55.383 53.040 2.343 1
1 244 . 10 1 1 A 21 21 ASP CB C 21 41.067 42.967 -1.900 1
1 245 . 10 1 1 A 21 21 ASP N N 21 121.505 120.102 1.403 1
1 246 . 10 1 1 A 22 22 LYS H H 22 8.311 8.519 -0.208 1
1 247 . 10 1 1 A 22 22 LYS HA H 22 4.871 4.764 0.107 1
1 256 . 10 1 1 A 22 22 LYS CA C 22 55.659 55.796 -0.137 1
1 257 . 10 1 1 A 22 22 LYS CB C 22 31.820 33.823 -2.003 1
1 261 . 10 1 1 A 22 22 LYS N N 22 120.225 120.287 -0.062 1
1 262 . 10 1 1 A 23 23 VAL H H 23 8.935 8.744 0.191 1
1 263 . 10 1 1 A 23 23 VAL HA H 23 4.841 4.938 -0.097 1
1 271 . 10 1 1 A 23 23 VAL CA C 23 58.502 60.952 -2.450 1
1 272 . 10 1 1 A 23 23 VAL CB C 23 34.507 34.959 -0.452 1
1 275 . 10 1 1 A 23 23 VAL N N 23 117.700 123.061 -5.361 1
1 276 . 10 1 1 A 24 24 LYS H H 24 7.960 8.952 -0.992 1
1 277 . 10 1 1 A 24 24 LYS HA H 24 4.838 4.998 -0.160 1
1 286 . 10 1 1 A 24 24 LYS CA C 24 53.195 54.282 -1.087 1
1 287 . 10 1 1 A 24 24 LYS CB C 24 35.213 35.373 -0.160 1
1 291 . 10 1 1 A 24 24 LYS N N 24 121.958 126.785 -4.827 1
1 292 . 10 1 1 A 25 25 LYS H H 25 8.915 8.453 0.462 1
1 293 . 10 1 1 A 25 25 LYS HA H 25 3.156 4.132 -0.976 1
1 300 . 10 1 1 A 25 25 LYS CA C 25 58.648 57.230 1.418 1
1 301 . 10 1 1 A 25 25 LYS CB C 25 32.648 31.907 0.741 1
1 304 . 10 1 1 A 25 25 LYS N N 25 121.653 123.119 -1.466 1
1 305 . 10 1 1 A 26 26 GLY H H 26 8.900 8.970 -0.070 1
1 306 . 10 1 1 A 26 26 GLY HA2 H 26 4.283 3.951 0.332 1
1 307 . 10 1 1 A 26 26 GLY HA3 H 26 3.471 3.963 -0.492 1
1 308 . 10 1 1 A 26 26 GLY CA C 26 45.263 45.199 0.064 1
1 309 . 10 1 1 A 26 26 GLY N N 26 115.268 113.456 1.812 1
1 310 . 10 1 1 A 27 27 GLN H H 27 8.433 8.072 0.361 1
1 311 . 10 1 1 A 27 27 GLN HA H 27 4.141 4.616 -0.475 1
1 318 . 10 1 1 A 27 27 GLN CA C 27 56.324 54.234 2.090 1
1 319 . 10 1 1 A 27 27 GLN CB C 27 30.520 30.599 -0.079 1
1 321 . 10 1 1 A 27 27 GLN N N 27 123.155 120.944 2.211 1
1 323 . 10 1 1 A 28 28 THR H H 28 9.110 8.962 0.148 1
1 324 . 10 1 1 A 28 28 THR HA H 28 3.893 4.222 -0.329 1
1 329 . 10 1 1 A 28 28 THR CA C 28 65.828 64.243 1.585 1
1 330 . 10 1 1 A 28 28 THR CB C 28 68.581 68.749 -0.168 1
1 332 . 10 1 1 A 28 28 THR N N 28 124.748 121.686 3.062 1
1 333 . 10 1 1 A 29 29 LEU H H 29 9.509 9.155 0.354 1
1 334 . 10 1 1 A 29 29 LEU HA H 29 4.383 4.768 -0.385 1
1 344 . 10 1 1 A 29 29 LEU CA C 29 55.795 55.665 0.130 1
1 345 . 10 1 1 A 29 29 LEU CB C 29 44.572 43.755 0.817 1
1 349 . 10 1 1 A 29 29 LEU N N 29 125.873 127.917 -2.044 1
1 350 . 10 1 1 A 30 30 PHE H H 30 7.579 7.627 -0.048 1
1 351 . 10 1 1 A 30 30 PHE HA H 30 5.367 5.121 0.246 1
1 359 . 10 1 1 A 30 30 PHE CA C 30 55.486 56.323 -0.837 1
1 360 . 10 1 1 A 30 30 PHE CB C 30 44.887 43.701 1.186 1
1 361 . 10 1 1 A 30 30 PHE N N 30 111.134 115.244 -4.110 1
1 362 . 10 1 1 A 31 31 ILE H H 31 7.858 8.482 -0.624 1
1 363 . 10 1 1 A 31 31 ILE HA H 31 4.817 4.799 0.018 1
1 373 . 10 1 1 A 31 31 ILE CA C 31 60.063 60.223 -0.160 1
1 374 . 10 1 1 A 31 31 ILE CB C 31 39.395 41.975 -2.580 1
1 378 . 10 1 1 A 31 31 ILE N N 31 119.416 119.511 -0.095 1
1 379 . 10 1 1 A 32 32 ILE H H 32 9.107 8.698 0.409 1
1 380 . 10 1 1 A 32 32 ILE HA H 32 4.842 5.055 -0.213 1
1 390 . 10 1 1 A 32 32 ILE CA C 32 59.002 59.941 -0.939 1
1 391 . 10 1 1 A 32 32 ILE CB C 32 42.048 42.489 -0.441 1
1 395 . 10 1 1 A 32 32 ILE N N 32 127.892 125.898 1.994 1
1 396 . 10 1 1 A 33 33 GLU H H 33 9.095 8.335 0.760 1
1 397 . 10 1 1 A 33 33 GLU HA H 33 4.642 5.035 -0.393 1
1 402 . 10 1 1 A 33 33 GLU CA C 33 54.985 55.214 -0.229 1
1 403 . 10 1 1 A 33 33 GLU CB C 33 31.672 31.410 0.262 1
1 405 . 10 1 1 A 33 33 GLU N N 33 128.157 125.248 2.909 1
1 406 . 10 1 1 A 34 34 GLN H H 34 8.725 8.114 0.611 1
1 407 . 10 1 1 A 34 34 GLN HA H 34 4.354 4.690 -0.336 1
1 414 . 10 1 1 A 34 34 GLN CA C 34 56.807 54.787 2.020 1
1 415 . 10 1 1 A 34 34 GLN CB C 34 30.119 29.919 0.200 1
1 417 . 10 1 1 A 34 34 GLN N N 34 128.123 118.851 9.272 1
1 419 . 10 1 1 A 35 35 ASP H H 35 8.524 7.944 0.580 1
1 420 . 10 1 1 A 35 35 ASP HA H 35 4.609 4.452 0.157 1
1 423 . 10 1 1 A 35 35 ASP CA C 35 54.226 55.334 -1.108 1
1 424 . 10 1 1 A 35 35 ASP CB C 35 41.429 38.892 2.537 1
1 425 . 10 1 1 A 35 35 ASP N N 35 122.485 120.047 2.438 1
1 426 . 10 1 1 A 36 36 GLN H H 36 8.576 7.914 0.662 1
1 427 . 10 1 1 A 36 36 GLN HA H 36 4.041 4.195 -0.154 1
1 434 . 10 1 1 A 36 36 GLN CA C 36 56.662 56.751 -0.089 1
1 435 . 10 1 1 A 36 36 GLN CB C 36 29.166 28.633 0.533 1
1 437 . 10 1 1 A 36 36 GLN N N 36 123.321 119.819 3.502 1
1 439 . 10 1 1 A 37 37 ALA H H 37 8.322 7.741 0.581 1
1 440 . 10 1 1 A 37 37 ALA HA H 37 4.232 4.393 -0.161 1
1 444 . 10 1 1 A 37 37 ALA CA C 37 53.231 52.037 1.194 1
1 445 . 10 1 1 A 37 37 ALA CB C 37 19.020 19.487 -0.467 1
1 446 . 10 1 1 A 37 37 ALA N N 37 123.086 122.260 0.826 1
1 447 . 10 1 1 A 38 38 SER H H 38 7.919 7.934 -0.015 1
1 448 . 10 1 1 A 38 38 SER HA H 38 4.283 4.846 -0.563 1
1 451 . 10 1 1 A 38 38 SER CA C 38 58.884 58.492 0.392 1
1 452 . 10 1 1 A 38 38 SER CB C 38 63.835 63.108 0.727 1
1 453 . 10 1 1 A 38 38 SER N N 38 113.578 111.456 2.122 1
1 454 . 10 1 1 A 39 39 LYS H H 39 8.153 8.118 0.035 1
1 455 . 10 1 1 A 39 39 LYS HA H 39 4.140 4.502 -0.362 1
1 463 . 10 1 1 A 39 39 LYS CA C 39 57.127 56.835 0.292 1
1 464 . 10 1 1 A 39 39 LYS CB C 39 32.812 33.101 -0.289 1
1 468 . 10 1 1 A 39 39 LYS N N 39 122.651 119.198 3.453 1
1 469 . 10 1 1 A 40 40 ASP H H 40 8.100 7.959 0.141 1
1 470 . 10 1 1 A 40 40 ASP HA H 40 4.532 4.701 -0.169 1
1 473 . 10 1 1 A 40 40 ASP CA C 40 54.376 53.420 0.956 1
1 474 . 10 1 1 A 40 40 ASP CB C 40 41.245 41.052 0.193 1
1 475 . 10 1 1 A 40 40 ASP N N 40 119.441 119.305 0.136 1
1 476 . 10 1 1 A 41 41 PHE H H 41 7.924 7.886 0.038 1
1 477 . 10 1 1 A 41 41 PHE HA H 41 4.384 4.676 -0.292 1
1 484 . 10 1 1 A 41 41 PHE CA C 41 58.704 58.744 -0.040 1
1 485 . 10 1 1 A 41 41 PHE CB C 41 39.397 41.185 -1.788 1
1 486 . 10 1 1 A 41 41 PHE N N 41 121.124 119.586 1.538 1
1 487 . 10 1 1 A 42 42 ASN H H 42 8.311 7.817 0.494 1
1 488 . 10 1 1 A 42 42 ASN HA H 42 4.523 4.608 -0.085 1
1 492 . 10 1 1 A 42 42 ASN CA C 42 53.133 54.237 -1.104 1
1 493 . 10 1 1 A 42 42 ASN CB C 42 38.801 38.976 -0.175 1
1 494 . 10 1 1 A 42 42 ASN N N 42 120.181 116.799 3.382 1
1 496 . 10 1 1 A 43 43 ARG H H 43 8.133 8.975 -0.842 1
1 497 . 10 1 1 A 43 43 ARG HA H 43 4.115 4.249 -0.134 1
1 504 . 10 1 1 A 43 43 ARG CA C 43 57.051 55.785 1.266 1
1 505 . 10 1 1 A 43 43 ARG CB C 43 30.514 30.424 0.090 1
1 508 . 10 1 1 A 43 43 ARG N N 43 121.727 123.498 -1.771 1
1 509 . 10 1 1 A 44 44 SER H H 44 8.174 8.056 0.118 1
1 510 . 10 1 1 A 44 44 SER HA H 44 4.286 4.517 -0.231 1
1 513 . 10 1 1 A 44 44 SER CA C 44 59.344 58.536 0.808 1
1 514 . 10 1 1 A 44 44 SER CB C 44 63.357 62.159 1.198 1
1 515 . 10 1 1 A 44 44 SER N N 44 115.718 114.290 1.428 1
1 516 . 10 1 1 A 45 45 LYS H H 45 7.963 8.657 -0.694 1
1 517 . 10 1 1 A 45 45 LYS HA H 45 4.123 4.368 -0.245 1
1 526 . 10 1 1 A 45 45 LYS CA C 45 56.866 57.453 -0.587 1
1 527 . 10 1 1 A 45 45 LYS CB C 45 32.777 33.307 -0.530 1
1 530 . 10 1 1 A 45 45 LYS N N 45 122.326 124.227 -1.901 1
1 531 . 10 1 1 A 46 46 ALA H H 46 7.965 7.758 0.207 1
1 532 . 10 1 1 A 46 46 ALA HA H 46 4.165 4.571 -0.406 1
1 536 . 10 1 1 A 46 46 ALA CA C 46 52.999 50.873 2.126 1
1 537 . 10 1 1 A 46 46 ALA CB C 46 18.944 21.822 -2.878 1
1 538 . 10 1 1 A 46 46 ALA N N 46 123.536 119.995 3.541 1
1 539 . 10 1 1 A 47 47 LEU H H 47 7.898 8.496 -0.598 1
1 540 . 10 1 1 A 47 47 LEU HA H 47 4.158 4.499 -0.341 1
1 550 . 10 1 1 A 47 47 LEU CA C 47 55.583 53.420 2.163 1
1 551 . 10 1 1 A 47 47 LEU CB C 47 42.404 44.373 -1.969 1
1 555 . 10 1 1 A 47 47 LEU N N 47 119.914 119.463 0.451 1
1 556 . 10 1 1 A 48 48 PHE H H 48 7.981 8.822 -0.841 1
1 557 . 10 1 1 A 48 48 PHE HA H 48 4.539 4.538 0.001 1
1 564 . 10 1 1 A 48 48 PHE CA C 48 58.033 58.421 -0.388 1
1 565 . 10 1 1 A 48 48 PHE CB C 48 39.470 39.167 0.303 1
1 566 . 10 1 1 A 48 48 PHE N N 48 119.602 124.663 -5.061 1
1 567 . 10 1 1 A 49 49 SER H H 49 8.028 9.178 -1.150 1
1 568 . 10 1 1 A 49 49 SER HA H 49 4.332 4.486 -0.154 1
1 571 . 10 1 1 A 49 49 SER CA C 49 58.581 59.834 -1.253 1
1 572 . 10 1 1 A 49 49 SER CB C 49 63.866 62.633 1.233 1
1 573 . 10 1 1 A 49 49 SER N N 49 116.270 114.522 1.748 1
1 574 . 10 1 1 A 50 50 GLN H H 50 8.266 8.737 -0.471 1
1 575 . 10 1 1 A 50 50 GLN HA H 50 4.257 4.313 -0.056 1
1 582 . 10 1 1 A 50 50 GLN CA C 50 56.435 56.606 -0.171 1
1 583 . 10 1 1 A 50 50 GLN CB C 50 29.204 28.759 0.445 1
1 585 . 10 1 1 A 50 50 GLN N N 50 121.931 122.586 -0.655 1
1 587 . 10 1 1 A 51 51 SER H H 51 8.147 8.646 -0.499 1
1 588 . 10 1 1 A 51 51 SER HA H 51 4.338 4.537 -0.199 1
1 591 . 10 1 1 A 51 51 SER CA C 51 58.645 57.446 1.199 1
1 592 . 10 1 1 A 51 51 SER CB C 51 63.784 60.940 2.844 1
1 593 . 10 1 1 A 51 51 SER N N 51 115.676 116.057 -0.381 1
1 594 . 10 1 1 A 52 52 ALA H H 52 8.175 8.489 -0.314 1
1 595 . 10 1 1 A 52 52 ALA HA H 52 4.265 3.986 0.279 1
1 599 . 10 1 1 A 52 52 ALA CA C 52 53.031 54.949 -1.918 1
1 600 . 10 1 1 A 52 52 ALA CB C 52 18.941 18.765 0.176 1
1 601 . 10 1 1 A 52 52 ALA N N 52 125.360 125.987 -0.627 1
1 602 . 10 1 1 A 53 53 ILE H H 53 7.870 7.555 0.315 1
1 603 . 10 1 1 A 53 53 ILE HA H 53 4.099 4.399 -0.300 1
1 613 . 10 1 1 A 53 53 ILE CA C 53 61.558 62.371 -0.813 1
1 614 . 10 1 1 A 53 53 ILE CB C 53 38.851 39.735 -0.884 1
1 618 . 10 1 1 A 53 53 ILE N N 53 118.231 115.259 2.972 1
1 619 . 10 1 1 A 54 54 SER H H 54 8.159 8.092 0.067 1
1 620 . 10 1 1 A 54 54 SER HA H 54 4.384 4.098 0.286 1
1 623 . 10 1 1 A 54 54 SER CA C 54 58.551 58.832 -0.281 1
1 624 . 10 1 1 A 54 54 SER CB C 54 63.964 61.804 2.160 1
1 625 . 10 1 1 A 54 54 SER N N 54 118.588 115.852 2.736 1
1 626 . 10 1 1 A 55 55 GLN H H 55 8.301 8.140 0.161 1
1 627 . 10 1 1 A 55 55 GLN HA H 55 4.214 3.639 0.575 1
1 634 . 10 1 1 A 55 55 GLN CA C 55 56.547 58.793 -2.246 1
1 635 . 10 1 1 A 55 55 GLN CB C 55 29.292 28.183 1.109 1
1 637 . 10 1 1 A 55 55 GLN N N 55 122.173 126.369 -4.196 1
1 639 . 10 1 1 A 56 56 LYS H H 56 8.163 8.609 -0.446 1
1 640 . 10 1 1 A 56 56 LYS HA H 56 4.177 4.129 0.048 1
1 647 . 10 1 1 A 56 56 LYS CA C 56 56.978 59.342 -2.364 1
1 648 . 10 1 1 A 56 56 LYS CB C 56 32.855 31.988 0.867 1
1 651 . 10 1 1 A 56 56 LYS N N 56 121.126 116.968 4.158 1
1 652 . 10 1 1 A 57 57 GLU H H 57 8.211 8.016 0.195 1
1 653 . 10 1 1 A 57 57 GLU HA H 57 4.151 4.625 -0.474 1
1 658 . 10 1 1 A 57 57 GLU CA C 57 57.058 55.628 1.430 1
1 659 . 10 1 1 A 57 57 GLU CB C 57 30.211 31.076 -0.865 1
1 661 . 10 1 1 A 57 57 GLU N N 57 120.615 118.101 2.514 1
1 662 . 10 1 1 A 58 58 TYR H H 58 8.070 7.797 0.273 1
1 663 . 10 1 1 A 58 58 TYR HA H 58 4.375 4.469 -0.094 1
1 670 . 10 1 1 A 58 58 TYR CA C 58 58.570 57.938 0.632 1
1 671 . 10 1 1 A 58 58 TYR CB C 58 38.962 39.255 -0.293 1
1 672 . 10 1 1 A 58 58 TYR N N 58 120.822 119.563 1.259 1
1 673 . 10 1 1 A 59 59 ASP H H 59 8.146 8.609 -0.463 1
1 674 . 10 1 1 A 59 59 ASP HA H 59 4.492 4.738 -0.246 1
1 677 . 10 1 1 A 59 59 ASP CA C 59 54.396 52.104 2.292 1
1 678 . 10 1 1 A 59 59 ASP CB C 59 41.086 44.038 -2.952 1
1 679 . 10 1 1 A 59 59 ASP N N 59 122.551 120.332 2.219 1
1 680 . 10 1 1 A 60 60 SER H H 60 8.253 8.780 -0.527 1
1 681 . 10 1 1 A 60 60 SER HA H 60 4.260 4.346 -0.086 1
1 684 . 10 1 1 A 60 60 SER CA C 60 59.533 60.518 -0.985 1
1 685 . 10 1 1 A 60 60 SER CB C 60 63.422 63.408 0.014 1
1 686 . 10 1 1 A 60 60 SER N N 60 117.657 116.838 0.819 1
1 687 . 10 1 1 A 61 61 SER H H 61 8.344 8.091 0.253 1
1 688 . 10 1 1 A 61 61 SER HA H 61 4.307 4.130 0.177 1
1 691 . 10 1 1 A 61 61 SER CA C 61 59.755 61.743 -1.988 1
1 692 . 10 1 1 A 61 61 SER CB C 61 63.582 62.978 0.604 1
1 693 . 10 1 1 A 61 61 SER N N 61 118.129 117.967 0.162 1
1 694 . 10 1 1 A 62 62 LEU H H 62 7.759 7.833 -0.074 1
1 695 . 10 1 1 A 62 62 LEU HA H 62 4.234 4.119 0.115 1
1 705 . 10 1 1 A 62 62 LEU CA C 62 55.464 57.700 -2.236 1
1 706 . 10 1 1 A 62 62 LEU CB C 62 42.238 41.427 0.811 1
1 710 . 10 1 1 A 62 62 LEU N N 62 122.627 117.041 5.586 1
1 711 . 10 1 1 A 63 63 ALA H H 63 7.919 7.647 0.272 1
1 712 . 10 1 1 A 63 63 ALA HA H 63 4.276 4.320 -0.044 1
1 716 . 10 1 1 A 63 63 ALA CA C 63 52.922 52.730 0.192 1
1 717 . 10 1 1 A 63 63 ALA CB C 63 19.221 19.272 -0.051 1
1 718 . 10 1 1 A 63 63 ALA N N 63 123.444 123.716 -0.272 1
1 719 . 10 1 1 A 64 64 THR H H 64 7.890 8.682 -0.792 1
1 720 . 10 1 1 A 64 64 THR HA H 64 4.217 4.432 -0.215 1
1 725 . 10 1 1 A 64 64 THR CA C 64 61.787 61.815 -0.028 1
1 726 . 10 1 1 A 64 64 THR CB C 64 69.719 70.750 -1.031 1
1 728 . 10 1 1 A 64 64 THR N N 64 112.279 114.410 -2.131 1
1 729 . 10 1 1 A 65 65 LEU H H 65 8.009 8.562 -0.553 1
1 730 . 10 1 1 A 65 65 LEU HA H 65 4.295 4.821 -0.526 1
1 740 . 10 1 1 A 65 65 LEU CA C 65 55.345 54.186 1.159 1
1 741 . 10 1 1 A 65 65 LEU CB C 65 42.412 42.949 -0.537 1
1 745 . 10 1 1 A 65 65 LEU N N 65 123.586 120.883 2.703 1
1 746 . 10 1 1 A 66 66 ASP H H 66 8.288 8.542 -0.254 1
1 747 . 10 1 1 A 66 66 ASP HA H 66 4.564 4.700 -0.136 1
1 750 . 10 1 1 A 66 66 ASP CA C 66 54.676 54.215 0.461 1
1 751 . 10 1 1 A 66 66 ASP CB C 66 41.376 41.084 0.292 1
1 752 . 10 1 1 A 66 66 ASP N N 66 120.344 124.242 -3.898 1
1 753 . 10 1 1 A 67 67 HIS H H 67 8.058 8.875 -0.817 1
1 754 . 10 1 1 A 67 67 HIS HA H 67 5.247 5.265 -0.018 1
1 758 . 10 1 1 A 67 67 HIS CA C 67 55.260 54.504 0.756 1
1 759 . 10 1 1 A 67 67 HIS CB C 67 31.974 33.671 -1.697 1
1 760 . 10 1 1 A 67 67 HIS N N 67 119.406 121.374 -1.968 1
1 761 . 10 1 1 A 68 68 THR H H 68 8.919 9.173 -0.254 1
1 762 . 10 1 1 A 68 68 THR HA H 68 4.484 4.817 -0.333 1
1 767 . 10 1 1 A 68 68 THR CA C 68 62.542 61.360 1.182 1
1 768 . 10 1 1 A 68 68 THR CB C 68 71.067 71.308 -0.241 1
1 770 . 10 1 1 A 68 68 THR N N 68 117.233 115.430 1.803 1
1 771 . 10 1 1 A 69 69 GLU H H 69 8.649 8.660 -0.011 1
1 772 . 10 1 1 A 69 69 GLU HA H 69 4.703 4.310 0.393 1
1 777 . 10 1 1 A 69 69 GLU CA C 69 55.886 56.696 -0.810 1
1 778 . 10 1 1 A 69 69 GLU CB C 69 31.746 29.807 1.939 1
1 780 . 10 1 1 A 69 69 GLU N N 69 124.187 126.473 -2.286 1
1 781 . 10 1 1 A 70 70 ILE H H 70 8.601 9.217 -0.616 1
1 782 . 10 1 1 A 70 70 ILE HA H 70 4.405 4.397 0.008 1
1 792 . 10 1 1 A 70 70 ILE CA C 70 59.234 60.746 -1.512 1
1 793 . 10 1 1 A 70 70 ILE CB C 70 37.318 37.631 -0.313 1
1 797 . 10 1 1 A 70 70 ILE N N 70 123.482 126.165 -2.683 1
1 798 . 10 1 1 A 71 71 LYS H H 71 8.926 8.391 0.535 1
1 799 . 10 1 1 A 71 71 LYS HA H 71 5.078 4.992 0.086 1
1 806 . 10 1 1 A 71 71 LYS CA C 71 54.584 55.596 -1.012 1
1 807 . 10 1 1 A 71 71 LYS CB C 71 36.281 33.642 2.639 1
1 810 . 10 1 1 A 71 71 LYS N N 71 128.267 126.279 1.988 1
1 811 . 10 1 1 A 72 72 ALA H H 72 8.633 8.194 0.439 1
1 812 . 10 1 1 A 72 72 ALA HA H 72 4.067 4.391 -0.324 1
1 816 . 10 1 1 A 72 72 ALA CA C 72 49.967 50.841 -0.874 1
1 817 . 10 1 1 A 72 72 ALA CB C 72 17.255 17.866 -0.611 1
1 818 . 10 1 1 A 72 72 ALA N N 72 123.088 123.211 -0.123 1
1 819 . 10 1 1 A 73 73 PRO HA H 73 4.333 4.141 0.192 1
1 826 . 10 1 1 A 73 73 PRO CA C 73 63.716 64.620 -0.904 1
1 827 . 10 1 1 A 73 73 PRO CB C 73 31.915 30.985 0.930 1
1 830 . 10 1 1 A 74 74 PHE H H 74 6.768 7.388 -0.620 1
1 831 . 10 1 1 A 74 74 PHE HA H 74 4.421 4.713 -0.292 1
1 838 . 10 1 1 A 74 74 PHE CA C 74 54.396 56.912 -2.516 1
1 839 . 10 1 1 A 74 74 PHE CB C 74 40.697 41.012 -0.315 1
1 840 . 10 1 1 A 74 74 PHE N N 74 112.022 114.171 -2.149 1
1 841 . 10 1 1 A 75 75 ASP H H 75 8.583 8.135 0.448 1
1 842 . 10 1 1 A 75 75 ASP HA H 75 4.922 4.736 0.186 1
1 845 . 10 1 1 A 75 75 ASP CA C 75 53.873 54.065 -0.192 1
1 846 . 10 1 1 A 75 75 ASP CB C 75 40.839 42.175 -1.336 1
1 847 . 10 1 1 A 75 75 ASP N N 75 118.252 119.520 -1.268 1
1 848 . 10 1 1 A 76 76 GLY H H 76 8.348 8.074 0.274 1
1 849 . 10 1 1 A 76 76 GLY HA2 H 76 4.236 4.274 -0.038 1
1 850 . 10 1 1 A 76 76 GLY HA3 H 76 4.075 4.307 -0.232 1
1 851 . 10 1 1 A 76 76 GLY CA C 76 46.639 45.063 1.576 1
1 852 . 10 1 1 A 76 76 GLY N N 76 108.729 107.389 1.340 1
1 853 . 10 1 1 A 77 77 THR H H 77 8.623 8.508 0.115 1
1 854 . 10 1 1 A 77 77 THR HA H 77 4.975 4.974 0.001 1
1 859 . 10 1 1 A 77 77 THR CA C 77 61.752 61.991 -0.239 1
1 860 . 10 1 1 A 77 77 THR CB C 77 70.121 70.477 -0.356 1
1 862 . 10 1 1 A 77 77 THR N N 77 116.400 116.391 0.009 1
1 863 . 10 1 1 A 78 78 ILE H H 78 8.824 8.822 0.002 1
1 864 . 10 1 1 A 78 78 ILE HA H 78 4.673 5.064 -0.391 1
1 874 . 10 1 1 A 78 78 ILE CA C 78 60.164 59.510 0.654 1
1 875 . 10 1 1 A 78 78 ILE CB C 78 42.973 41.574 1.399 1
1 879 . 10 1 1 A 78 78 ILE N N 78 129.310 129.358 -0.048 1
1 880 . 10 1 1 A 79 79 GLY H H 79 8.060 8.339 -0.279 1
1 881 . 10 1 1 A 79 79 GLY HA2 H 79 4.404 4.231 0.173 1
1 882 . 10 1 1 A 79 79 GLY HA3 H 79 3.775 4.237 -0.462 1
1 883 . 10 1 1 A 79 79 GLY CA C 79 44.149 44.481 -0.332 1
1 884 . 10 1 1 A 79 79 GLY N N 79 114.539 115.496 -0.957 1
1 885 . 10 1 1 A 80 80 ASP H H 80 7.804 8.488 -0.684 1
1 886 . 10 1 1 A 80 80 ASP HA H 80 4.703 4.763 -0.060 1
1 889 . 10 1 1 A 80 80 ASP CA C 80 53.703 53.871 -0.168 1
1 890 . 10 1 1 A 80 80 ASP CB C 80 41.918 42.220 -0.302 1
1 891 . 10 1 1 A 80 80 ASP N N 80 113.688 121.575 -7.887 1
1 892 . 10 1 1 A 81 81 ALA H H 81 8.566 8.503 0.063 1
1 893 . 10 1 1 A 81 81 ALA HA H 81 4.571 4.833 -0.262 1
1 897 . 10 1 1 A 81 81 ALA CA C 81 53.312 50.610 2.702 1
1 898 . 10 1 1 A 81 81 ALA CB C 81 20.381 21.770 -1.389 1
1 899 . 10 1 1 A 81 81 ALA N N 81 124.136 123.576 0.560 1
1 900 . 10 1 1 A 82 82 LEU H H 82 8.747 8.699 0.048 1
1 901 . 10 1 1 A 82 82 LEU HA H 82 4.345 4.368 -0.023 1
1 910 . 10 1 1 A 82 82 LEU CA C 82 55.210 56.171 -0.961 1
1 911 . 10 1 1 A 82 82 LEU CB C 82 41.457 42.417 -0.960 1
1 914 . 10 1 1 A 82 82 LEU N N 82 121.773 122.926 -1.153 1
1 915 . 10 1 1 A 83 83 VAL H H 83 7.141 7.493 -0.352 1
1 916 . 10 1 1 A 83 83 VAL HA H 83 4.496 4.732 -0.236 1
1 924 . 10 1 1 A 83 83 VAL CA C 83 58.502 59.852 -1.350 1
1 925 . 10 1 1 A 83 83 VAL CB C 83 35.229 34.310 0.919 1
1 928 . 10 1 1 A 83 83 VAL N N 83 108.169 113.567 -5.398 1
1 929 . 10 1 1 A 84 84 ASN H H 84 9.076 8.990 0.086 1
1 930 . 10 1 1 A 84 84 ASN HA H 84 4.887 5.194 -0.307 1
1 935 . 10 1 1 A 84 84 ASN CA C 84 51.248 51.781 -0.533 1
1 936 . 10 1 1 A 84 84 ASN CB C 84 41.989 41.388 0.601 1
1 937 . 10 1 1 A 84 84 ASN N N 84 119.502 118.859 0.643 1
1 939 . 10 1 1 A 85 85 ILE H H 85 8.404 8.366 0.038 1
1 940 . 10 1 1 A 85 85 ILE HA H 85 3.393 3.922 -0.529 1
1 950 . 10 1 1 A 85 85 ILE CA C 85 63.873 62.978 0.895 1
1 951 . 10 1 1 A 85 85 ILE CB C 85 37.146 38.510 -1.364 1
1 955 . 10 1 1 A 85 85 ILE N N 85 119.409 121.419 -2.010 1
1 956 . 10 1 1 A 86 86 GLY H H 86 9.239 8.604 0.635 1
1 957 . 10 1 1 A 86 86 GLY HA2 H 86 4.401 3.986 0.415 1
1 958 . 10 1 1 A 86 86 GLY HA3 H 86 3.411 3.992 -0.581 1
1 959 . 10 1 1 A 86 86 GLY CA C 86 44.869 45.209 -0.340 1
1 960 . 10 1 1 A 86 86 GLY N N 86 117.321 115.206 2.115 1
1 961 . 10 1 1 A 87 87 ASP H H 87 7.968 8.087 -0.119 1
1 962 . 10 1 1 A 87 87 ASP HA H 87 4.607 4.777 -0.170 1
1 965 . 10 1 1 A 87 87 ASP CA C 87 54.886 53.359 1.527 1
1 966 . 10 1 1 A 87 87 ASP CB C 87 40.771 41.518 -0.747 1
1 967 . 10 1 1 A 87 87 ASP N N 87 121.490 120.772 0.718 1
1 968 . 10 1 1 A 88 88 TYR H H 88 8.566 9.024 -0.458 1
1 969 . 10 1 1 A 88 88 TYR HA H 88 4.712 4.552 0.160 1
1 976 . 10 1 1 A 88 88 TYR CA C 88 57.826 59.638 -1.812 1
1 977 . 10 1 1 A 88 88 TYR CB C 88 39.243 38.994 0.249 1
1 978 . 10 1 1 A 88 88 TYR N N 88 122.340 126.880 -4.540 1
1 979 . 10 1 1 A 89 89 VAL H H 89 8.951 8.563 0.388 1
1 980 . 10 1 1 A 89 89 VAL HA H 89 4.578 4.731 -0.153 1
1 988 . 10 1 1 A 89 89 VAL CA C 89 58.339 60.162 -1.823 1
1 989 . 10 1 1 A 89 89 VAL CB C 89 34.321 33.282 1.039 1
1 992 . 10 1 1 A 89 89 VAL N N 89 121.914 123.648 -1.734 1
1 993 . 10 1 1 A 90 90 SER H H 90 8.777 8.809 -0.032 1
1 994 . 10 1 1 A 90 90 SER HA H 90 4.750 4.817 -0.067 1
1 997 . 10 1 1 A 90 90 SER CA C 90 56.895 57.676 -0.781 1
1 998 . 10 1 1 A 90 90 SER CB C 90 64.866 63.222 1.644 1
1 999 . 10 1 1 A 90 90 SER N N 90 114.813 120.620 -5.807 1
1 1000 . 10 1 1 A 91 91 ALA H H 91 8.712 8.405 0.307 1
1 1001 . 10 1 1 A 91 91 ALA HA H 91 3.515 3.848 -0.333 1
1 1005 . 10 1 1 A 91 91 ALA CA C 91 53.317 54.025 -0.708 1
1 1006 . 10 1 1 A 91 91 ALA CB C 91 18.678 17.762 0.916 1
1 1007 . 10 1 1 A 91 91 ALA N N 91 129.870 127.081 2.789 1
1 1008 . 10 1 1 A 92 92 SER H H 92 9.170 8.891 0.279 1
1 1009 . 10 1 1 A 92 92 SER HA H 92 3.817 4.218 -0.401 1
1 1012 . 10 1 1 A 92 92 SER CA C 92 60.652 59.952 0.700 1
1 1013 . 10 1 1 A 92 92 SER CB C 92 62.505 62.881 -0.376 1
1 1014 . 10 1 1 A 92 92 SER N N 92 113.294 114.575 -1.281 1
1 1015 . 10 1 1 A 93 93 THR H H 93 7.816 7.371 0.445 1
1 1016 . 10 1 1 A 93 93 THR HA H 93 4.402 4.208 0.194 1
1 1021 . 10 1 1 A 93 93 THR CA C 93 64.378 64.724 -0.346 1
1 1022 . 10 1 1 A 93 93 THR CB C 93 70.948 68.909 2.039 1
1 1024 . 10 1 1 A 93 93 THR N N 93 113.858 113.323 0.535 1
1 1025 . 10 1 1 A 94 94 THR H H 94 7.702 7.206 0.496 1
1 1026 . 10 1 1 A 94 94 THR HA H 94 3.910 4.273 -0.363 1
1 1031 . 10 1 1 A 94 94 THR CA C 94 65.140 61.468 3.672 1
1 1032 . 10 1 1 A 94 94 THR CB C 94 70.001 68.751 1.250 1
1 1034 . 10 1 1 A 94 94 THR N N 94 119.588 116.474 3.114 1
1 1035 . 10 1 1 A 95 95 GLU H H 95 8.407 8.270 0.137 1
1 1036 . 10 1 1 A 95 95 GLU HA H 95 3.801 4.610 -0.809 1
1 1041 . 10 1 1 A 95 95 GLU CA C 95 56.613 55.682 0.931 1
1 1042 . 10 1 1 A 95 95 GLU CB C 95 29.600 29.035 0.565 1
1 1044 . 10 1 1 A 95 95 GLU N N 95 124.764 125.527 -0.763 1
1 1045 . 10 1 1 A 96 96 LEU H H 96 8.750 8.257 0.493 1
1 1046 . 10 1 1 A 96 96 LEU HA H 96 4.260 4.267 -0.007 1
1 1056 . 10 1 1 A 96 96 LEU CA C 96 56.927 56.702 0.225 1
1 1057 . 10 1 1 A 96 96 LEU CB C 96 43.310 41.897 1.413 1
1 1061 . 10 1 1 A 96 96 LEU N N 96 120.035 121.169 -1.134 1
1 1062 . 10 1 1 A 97 97 VAL H H 97 7.053 7.780 -0.727 1
1 1063 . 10 1 1 A 97 97 VAL HA H 97 4.345 4.634 -0.289 1
1 1071 . 10 1 1 A 97 97 VAL CA C 97 61.291 59.513 1.778 1
1 1072 . 10 1 1 A 97 97 VAL CB C 97 31.577 35.011 -3.434 1
1 1075 . 10 1 1 A 97 97 VAL N N 97 112.365 118.554 -6.189 1
1 1076 . 10 1 1 A 98 98 ARG H H 98 8.980 8.927 0.053 1
1 1077 . 10 1 1 A 98 98 ARG HA H 98 5.267 5.039 0.228 1
1 1084 . 10 1 1 A 98 98 ARG CA C 98 55.195 54.608 0.587 1
1 1085 . 10 1 1 A 98 98 ARG CB C 98 32.818 33.407 -0.589 1
1 1088 . 10 1 1 A 98 98 ARG N N 98 127.477 127.487 -0.010 1
1 1089 . 10 1 1 A 99 99 VAL H H 99 8.887 9.079 -0.192 1
1 1090 . 10 1 1 A 99 99 VAL HA H 99 4.556 5.311 -0.755 1
1 1095 . 10 1 1 A 99 99 VAL CA C 99 60.968 61.301 -0.333 1
1 1096 . 10 1 1 A 99 99 VAL CB C 99 34.186 34.866 -0.680 1
1 1098 . 10 1 1 A 99 99 VAL N N 99 122.826 124.581 -1.755 1
1 1099 . 10 1 1 A 100 100 THR H H 100 8.833 8.983 -0.150 1
1 1100 . 10 1 1 A 100 100 THR HA H 100 4.559 4.832 -0.273 1
1 1105 . 10 1 1 A 100 100 THR CA C 100 61.080 60.108 0.972 1
1 1106 . 10 1 1 A 100 100 THR CB C 100 70.669 71.734 -1.065 1
1 1108 . 10 1 1 A 100 100 THR N N 100 121.816 116.434 5.382 1
1 1109 . 10 1 1 A 101 101 ASN H H 101 8.153 8.979 -0.826 1
1 1110 . 10 1 1 A 101 101 ASN HA H 101 4.518 4.297 0.221 1
1 1115 . 10 1 1 A 101 101 ASN CA C 101 54.238 53.871 0.367 1
1 1116 . 10 1 1 A 101 101 ASN CB C 101 38.470 37.173 1.297 1
1 1117 . 10 1 1 A 101 101 ASN N N 101 122.733 119.496 3.237 1
1 1119 . 10 1 1 A 102 102 LEU H H 102 8.160 7.477 0.683 1
1 1120 . 10 1 1 A 102 102 LEU HA H 102 4.245 4.726 -0.481 1
1 1130 . 10 1 1 A 102 102 LEU CA C 102 55.449 53.043 2.406 1
1 1131 . 10 1 1 A 102 102 LEU CB C 102 42.549 45.927 -3.378 1
1 1135 . 10 1 1 A 102 102 LEU N N 102 122.544 117.986 4.558 1
1 1136 . 10 1 1 A 103 103 ASN H H 103 8.405 8.178 0.227 1
1 1137 . 10 1 1 A 103 103 ASN HA H 103 4.867 4.722 0.145 1
1 1142 . 10 1 1 A 103 103 ASN CA C 103 51.316 51.780 -0.464 1
1 1143 . 10 1 1 A 103 103 ASN CB C 103 39.049 37.762 1.287 1
1 1144 . 10 1 1 A 103 103 ASN N N 103 120.174 119.917 0.257 1
1 1146 . 10 1 1 A 104 104 PRO HA H 104 4.230 4.727 -0.497 1
1 1153 . 10 1 1 A 104 104 PRO CA C 104 63.559 62.523 1.036 1
1 1154 . 10 1 1 A 104 104 PRO CB C 104 32.102 30.192 1.910 1
1 1157 . 10 1 1 A 105 105 ILE H H 105 7.886 8.094 -0.208 1
1 1158 . 10 1 1 A 105 105 ILE HA H 105 3.941 4.311 -0.370 1
1 1168 . 10 1 1 A 105 105 ILE CA C 105 61.348 60.950 0.398 1
1 1169 . 10 1 1 A 105 105 ILE CB C 105 38.569 38.012 0.557 1
1 1173 . 10 1 1 A 105 105 ILE N N 105 119.390 124.177 -4.787 1
1 1174 . 10 1 1 A 106 106 TYR H H 106 7.961 8.894 -0.933 1
1 1175 . 10 1 1 A 106 106 TYR HA H 106 4.536 5.039 -0.503 1
1 1182 . 10 1 1 A 106 106 TYR CA C 106 57.370 56.542 0.828 1
1 1183 . 10 1 1 A 106 106 TYR CB C 106 38.889 39.700 -0.811 1
1 1184 . 10 1 1 A 106 106 TYR N N 106 123.172 124.773 -1.601 1
1 1185 . 10 1 1 A 107 107 ALA H H 107 8.128 8.515 -0.387 1
1 1186 . 10 1 1 A 107 107 ALA HA H 107 4.217 4.804 -0.587 1
1 1190 . 10 1 1 A 107 107 ALA CA C 107 52.724 52.133 0.591 1
1 1191 . 10 1 1 A 107 107 ALA CB C 107 19.133 19.899 -0.766 1
1 1192 . 10 1 1 A 107 107 ALA N N 107 125.520 125.656 -0.136 1
1 1193 . 10 1 1 A 108 108 ASP H H 108 8.147 9.054 -0.907 1
1 1194 . 10 1 1 A 108 108 ASP HA H 108 4.511 5.546 -1.035 1
1 1197 . 10 1 1 A 108 108 ASP CA C 108 54.342 52.379 1.963 1
1 1198 . 10 1 1 A 108 108 ASP CB C 108 41.240 44.854 -3.614 1
1 1199 . 10 1 1 A 108 108 ASP N N 108 119.219 124.165 -4.946 1
1 1200 . 10 1 1 A 109 109 GLY H H 109 8.313 8.453 -0.140 1
1 1201 . 10 1 1 A 109 109 GLY HA2 H 109 3.946 4.206 -0.260 1
1 1202 . 10 1 1 A 109 109 GLY HA3 H 109 3.848 4.239 -0.391 1
1 1203 . 10 1 1 A 109 109 GLY CA C 109 45.692 45.709 -0.017 1
1 1204 . 10 1 1 A 109 109 GLY N N 109 109.478 110.964 -1.486 1
1 1205 . 10 1 1 A 110 110 SER H H 110 8.175 8.051 0.124 1
1 1206 . 10 1 1 A 110 110 SER HA H 110 4.286 4.439 -0.153 1
1 1209 . 10 1 1 A 110 110 SER CA C 110 59.296 60.694 -1.398 1
1 1210 . 10 1 1 A 110 110 SER CB C 110 63.825 64.091 -0.266 1
1 1211 . 10 1 1 A 110 110 SER N N 110 115.660 113.058 2.602 1
1 1212 . 10 1 1 A 111 111 HIS HA H 111 4.527 4.494 0.033 1
1 1215 . 10 1 1 A 111 111 HIS CA C 111 56.109 58.017 -1.908 1
1 1216 . 10 1 1 A 111 111 HIS CB C 111 30.580 28.962 1.618 1
1 1217 . 10 1 1 A 112 112 HIS HA H 112 4.535 5.213 -0.678 1
1 1220 . 10 1 1 A 112 112 HIS CA C 112 57.411 54.676 2.735 1
1 1221 . 10 1 1 A 112 112 HIS CB C 112 30.756 31.381 -0.625 1
1 2 . 11 1 1 A 2 2 VAL H H 2 8.613 8.194 0.419 1
1 3 . 11 1 1 A 2 2 VAL HA H 2 4.487 4.792 -0.305 1
1 11 . 11 1 1 A 2 2 VAL CA C 2 61.103 60.403 0.700 1
1 12 . 11 1 1 A 2 2 VAL CB C 2 35.731 35.963 -0.232 1
1 15 . 11 1 1 A 2 2 VAL N N 2 117.956 118.268 -0.312 1
1 16 . 11 1 1 A 3 3 ILE H H 3 8.439 8.780 -0.341 1
1 17 . 11 1 1 A 3 3 ILE HA H 3 4.498 4.805 -0.307 1
1 27 . 11 1 1 A 3 3 ILE CA C 3 60.172 59.913 0.259 1
1 28 . 11 1 1 A 3 3 ILE CB C 3 38.528 41.054 -2.526 1
1 32 . 11 1 1 A 3 3 ILE N N 3 125.643 125.905 -0.262 1
1 33 . 11 1 1 A 4 4 ILE H H 4 8.543 8.750 -0.207 1
1 34 . 11 1 1 A 4 4 ILE HA H 4 4.005 4.665 -0.660 1
1 44 . 11 1 1 A 4 4 ILE CA C 4 61.550 60.370 1.180 1
1 45 . 11 1 1 A 4 4 ILE CB C 4 38.038 38.722 -0.684 1
1 49 . 11 1 1 A 4 4 ILE N N 4 127.460 126.508 0.952 1
1 50 . 11 1 1 A 5 5 LYS H H 5 8.292 8.891 -0.599 1
1 51 . 11 1 1 A 5 5 LYS HA H 5 5.173 4.995 0.178 1
1 60 . 11 1 1 A 5 5 LYS CA C 5 53.276 53.174 0.102 1
1 61 . 11 1 1 A 5 5 LYS CB C 5 33.713 35.491 -1.778 1
1 65 . 11 1 1 A 5 5 LYS N N 5 126.677 125.164 1.513 1
1 66 . 11 1 1 A 6 6 PRO HA H 6 4.383 4.630 -0.247 1
1 73 . 11 1 1 A 6 6 PRO CA C 6 62.444 62.538 -0.094 1
1 74 . 11 1 1 A 6 6 PRO CB C 6 32.018 33.369 -1.351 1
1 77 . 11 1 1 A 7 7 GLN H H 7 9.359 8.319 1.040 1
1 78 . 11 1 1 A 7 7 GLN HA H 7 4.406 4.366 0.040 1
1 85 . 11 1 1 A 7 7 GLN CA C 7 56.357 55.612 0.745 1
1 86 . 11 1 1 A 7 7 GLN CB C 7 28.784 29.100 -0.316 1
1 88 . 11 1 1 A 7 7 GLN N N 7 119.975 116.882 3.093 1
1 90 . 11 1 1 A 8 8 VAL H H 8 7.032 7.377 -0.345 1
1 91 . 11 1 1 A 8 8 VAL HA H 8 4.486 4.701 -0.215 1
1 99 . 11 1 1 A 8 8 VAL CA C 8 58.874 58.964 -0.090 1
1 100 . 11 1 1 A 8 8 VAL CB C 8 35.169 35.769 -0.600 1
1 103 . 11 1 1 A 8 8 VAL N N 8 111.122 115.440 -4.318 1
1 104 . 11 1 1 A 9 9 SER H H 9 8.210 8.608 -0.398 1
1 105 . 11 1 1 A 9 9 SER HA H 9 4.957 5.092 -0.135 1
1 108 . 11 1 1 A 9 9 SER CA C 9 56.585 56.641 -0.056 1
1 109 . 11 1 1 A 9 9 SER CB C 9 64.442 64.804 -0.362 1
1 110 . 11 1 1 A 9 9 SER N N 9 115.043 116.330 -1.287 1
1 111 . 11 1 1 A 10 10 GLY H H 10 8.003 7.649 0.354 1
1 112 . 11 1 1 A 10 10 GLY HA2 H 10 4.412 4.202 0.210 1
1 113 . 11 1 1 A 10 10 GLY HA3 H 10 3.645 4.212 -0.567 1
1 114 . 11 1 1 A 10 10 GLY CA C 10 45.292 46.041 -0.749 1
1 115 . 11 1 1 A 10 10 GLY N N 10 108.708 108.160 0.548 1
1 116 . 11 1 1 A 11 11 VAL H H 11 8.006 7.916 0.090 1
1 117 . 11 1 1 A 11 11 VAL HA H 11 4.743 4.785 -0.042 1
1 125 . 11 1 1 A 11 11 VAL CA C 11 60.539 60.492 0.047 1
1 126 . 11 1 1 A 11 11 VAL CB C 11 34.951 35.564 -0.613 1
1 129 . 11 1 1 A 11 11 VAL N N 11 118.308 120.503 -2.195 1
1 130 . 11 1 1 A 12 12 ILE H H 12 8.459 8.443 0.016 1
1 131 . 11 1 1 A 12 12 ILE HA H 12 4.050 4.326 -0.276 1
1 141 . 11 1 1 A 12 12 ILE CA C 12 60.287 62.343 -2.056 1
1 142 . 11 1 1 A 12 12 ILE CB C 12 35.650 38.064 -2.414 1
1 146 . 11 1 1 A 12 12 ILE N N 12 125.265 126.487 -1.222 1
1 147 . 11 1 1 A 13 13 VAL H H 13 8.908 9.413 -0.505 1
1 148 . 11 1 1 A 13 13 VAL HA H 13 4.500 4.226 0.274 1
1 156 . 11 1 1 A 13 13 VAL CA C 13 62.126 63.351 -1.225 1
1 157 . 11 1 1 A 13 13 VAL CB C 13 33.291 33.398 -0.107 1
1 160 . 11 1 1 A 13 13 VAL N N 13 124.479 126.338 -1.859 1
1 161 . 11 1 1 A 14 14 ASN H H 14 7.653 7.657 -0.004 1
1 162 . 11 1 1 A 14 14 ASN HA H 14 4.819 5.096 -0.277 1
1 167 . 11 1 1 A 14 14 ASN CA C 14 52.806 52.446 0.360 1
1 168 . 11 1 1 A 14 14 ASN CB C 14 41.978 42.011 -0.033 1
1 169 . 11 1 1 A 14 14 ASN N N 14 114.961 114.203 0.758 1
1 171 . 11 1 1 A 15 15 LYS H H 15 8.404 8.378 0.026 1
1 172 . 11 1 1 A 15 15 LYS HA H 15 4.641 5.154 -0.513 1
1 179 . 11 1 1 A 15 15 LYS CA C 15 55.935 54.516 1.419 1
1 180 . 11 1 1 A 15 15 LYS CB C 15 35.274 34.566 0.708 1
1 183 . 11 1 1 A 15 15 LYS N N 15 123.768 120.410 3.358 1
1 184 . 11 1 1 A 16 16 LEU H H 16 8.020 9.483 -1.463 1
1 185 . 11 1 1 A 16 16 LEU HA H 16 4.611 4.421 0.190 1
1 195 . 11 1 1 A 16 16 LEU CA C 16 55.124 53.863 1.261 1
1 196 . 11 1 1 A 16 16 LEU CB C 16 41.308 40.713 0.595 1
1 200 . 11 1 1 A 16 16 LEU N N 16 126.162 126.947 -0.785 1
1 201 . 11 1 1 A 17 17 PHE H H 17 6.573 7.140 -0.567 1
1 202 . 11 1 1 A 17 17 PHE HA H 17 4.862 5.054 -0.192 1
1 207 . 11 1 1 A 17 17 PHE CA C 17 55.528 55.742 -0.214 1
1 208 . 11 1 1 A 17 17 PHE CB C 17 41.093 41.535 -0.442 1
1 209 . 11 1 1 A 17 17 PHE N N 17 113.628 115.429 -1.801 1
1 210 . 11 1 1 A 18 18 LYS H H 18 8.655 8.615 0.040 1
1 211 . 11 1 1 A 18 18 LYS HA H 18 4.333 4.850 -0.517 1
1 220 . 11 1 1 A 18 18 LYS CA C 18 54.277 54.404 -0.127 1
1 221 . 11 1 1 A 18 18 LYS CB C 18 35.134 34.873 0.261 1
1 225 . 11 1 1 A 18 18 LYS N N 18 120.572 119.401 1.171 1
1 226 . 11 1 1 A 19 19 ALA H H 19 8.407 8.491 -0.084 1
1 227 . 11 1 1 A 19 19 ALA HA H 19 3.962 4.513 -0.551 1
1 231 . 11 1 1 A 19 19 ALA CA C 19 53.980 52.561 1.419 1
1 232 . 11 1 1 A 19 19 ALA CB C 19 18.497 19.488 -0.991 1
1 233 . 11 1 1 A 19 19 ALA N N 19 123.842 124.359 -0.517 1
1 234 . 11 1 1 A 20 20 GLY H H 20 8.814 8.511 0.303 1
1 235 . 11 1 1 A 20 20 GLY HA2 H 20 4.313 3.895 0.418 1
1 236 . 11 1 1 A 20 20 GLY HA3 H 20 3.532 3.902 -0.370 1
1 237 . 11 1 1 A 20 20 GLY CA C 20 45.045 45.445 -0.400 1
1 238 . 11 1 1 A 20 20 GLY N N 20 112.434 111.777 0.657 1
1 239 . 11 1 1 A 21 21 ASP H H 21 7.933 8.082 -0.149 1
1 240 . 11 1 1 A 21 21 ASP HA H 21 4.499 4.705 -0.206 1
1 243 . 11 1 1 A 21 21 ASP CA C 21 55.383 53.866 1.517 1
1 244 . 11 1 1 A 21 21 ASP CB C 21 41.067 42.762 -1.695 1
1 245 . 11 1 1 A 21 21 ASP N N 21 121.505 121.525 -0.020 1
1 246 . 11 1 1 A 22 22 LYS H H 22 8.311 8.756 -0.445 1
1 247 . 11 1 1 A 22 22 LYS HA H 22 4.871 5.221 -0.350 1
1 256 . 11 1 1 A 22 22 LYS CA C 22 55.659 54.324 1.335 1
1 257 . 11 1 1 A 22 22 LYS CB C 22 31.820 36.194 -4.374 1
1 261 . 11 1 1 A 22 22 LYS N N 22 120.225 117.726 2.499 1
1 262 . 11 1 1 A 23 23 VAL H H 23 8.935 8.878 0.057 1
1 263 . 11 1 1 A 23 23 VAL HA H 23 4.841 5.081 -0.240 1
1 271 . 11 1 1 A 23 23 VAL CA C 23 58.502 59.313 -0.811 1
1 272 . 11 1 1 A 23 23 VAL CB C 23 34.507 35.073 -0.566 1
1 275 . 11 1 1 A 23 23 VAL N N 23 117.700 115.842 1.858 1
1 276 . 11 1 1 A 24 24 LYS H H 24 7.960 8.823 -0.863 1
1 277 . 11 1 1 A 24 24 LYS HA H 24 4.838 5.115 -0.277 1
1 286 . 11 1 1 A 24 24 LYS CA C 24 53.195 54.267 -1.072 1
1 287 . 11 1 1 A 24 24 LYS CB C 24 35.213 36.250 -1.037 1
1 291 . 11 1 1 A 24 24 LYS N N 24 121.958 121.199 0.759 1
1 292 . 11 1 1 A 25 25 LYS H H 25 8.915 8.692 0.223 1
1 293 . 11 1 1 A 25 25 LYS HA H 25 3.156 3.851 -0.695 1
1 300 . 11 1 1 A 25 25 LYS CA C 25 58.648 58.538 0.110 1
1 301 . 11 1 1 A 25 25 LYS CB C 25 32.648 32.017 0.631 1
1 304 . 11 1 1 A 25 25 LYS N N 25 121.653 125.406 -3.753 1
1 305 . 11 1 1 A 26 26 GLY H H 26 8.900 8.618 0.282 1
1 306 . 11 1 1 A 26 26 GLY HA2 H 26 4.283 3.979 0.304 1
1 307 . 11 1 1 A 26 26 GLY HA3 H 26 3.471 3.992 -0.521 1
1 308 . 11 1 1 A 26 26 GLY CA C 26 45.263 45.038 0.225 1
1 309 . 11 1 1 A 26 26 GLY N N 26 115.268 112.717 2.551 1
1 310 . 11 1 1 A 27 27 GLN H H 27 8.433 8.144 0.289 1
1 311 . 11 1 1 A 27 27 GLN HA H 27 4.141 4.290 -0.149 1
1 318 . 11 1 1 A 27 27 GLN CA C 27 56.324 56.122 0.202 1
1 319 . 11 1 1 A 27 27 GLN CB C 27 30.520 30.077 0.443 1
1 321 . 11 1 1 A 27 27 GLN N N 27 123.155 121.585 1.570 1
1 323 . 11 1 1 A 28 28 THR H H 28 9.110 8.782 0.328 1
1 324 . 11 1 1 A 28 28 THR HA H 28 3.893 4.426 -0.533 1
1 329 . 11 1 1 A 28 28 THR CA C 28 65.828 62.974 2.854 1
1 330 . 11 1 1 A 28 28 THR CB C 28 68.581 69.974 -1.393 1
1 332 . 11 1 1 A 28 28 THR N N 28 124.748 119.772 4.976 1
1 333 . 11 1 1 A 29 29 LEU H H 29 9.509 8.624 0.885 1
1 334 . 11 1 1 A 29 29 LEU HA H 29 4.383 4.663 -0.280 1
1 344 . 11 1 1 A 29 29 LEU CA C 29 55.795 55.940 -0.145 1
1 345 . 11 1 1 A 29 29 LEU CB C 29 44.572 44.263 0.309 1
1 349 . 11 1 1 A 29 29 LEU N N 29 125.873 125.305 0.568 1
1 350 . 11 1 1 A 30 30 PHE H H 30 7.579 8.033 -0.454 1
1 351 . 11 1 1 A 30 30 PHE HA H 30 5.367 5.432 -0.065 1
1 359 . 11 1 1 A 30 30 PHE CA C 30 55.486 56.026 -0.540 1
1 360 . 11 1 1 A 30 30 PHE CB C 30 44.887 42.675 2.212 1
1 361 . 11 1 1 A 30 30 PHE N N 30 111.134 114.721 -3.587 1
1 362 . 11 1 1 A 31 31 ILE H H 31 7.858 9.202 -1.344 1
1 363 . 11 1 1 A 31 31 ILE HA H 31 4.817 5.022 -0.205 1
1 373 . 11 1 1 A 31 31 ILE CA C 31 60.063 60.517 -0.454 1
1 374 . 11 1 1 A 31 31 ILE CB C 31 39.395 41.871 -2.476 1
1 378 . 11 1 1 A 31 31 ILE N N 31 119.416 119.927 -0.511 1
1 379 . 11 1 1 A 32 32 ILE H H 32 9.107 9.118 -0.011 1
1 380 . 11 1 1 A 32 32 ILE HA H 32 4.842 5.099 -0.257 1
1 390 . 11 1 1 A 32 32 ILE CA C 32 59.002 60.157 -1.155 1
1 391 . 11 1 1 A 32 32 ILE CB C 32 42.048 42.198 -0.150 1
1 395 . 11 1 1 A 32 32 ILE N N 32 127.892 126.834 1.058 1
1 396 . 11 1 1 A 33 33 GLU H H 33 9.095 8.974 0.121 1
1 397 . 11 1 1 A 33 33 GLU HA H 33 4.642 5.251 -0.609 1
1 402 . 11 1 1 A 33 33 GLU CA C 33 54.985 55.403 -0.418 1
1 403 . 11 1 1 A 33 33 GLU CB C 33 31.672 31.454 0.218 1
1 405 . 11 1 1 A 33 33 GLU N N 33 128.157 128.184 -0.027 1
1 406 . 11 1 1 A 34 34 GLN H H 34 8.725 9.352 -0.627 1
1 407 . 11 1 1 A 34 34 GLN HA H 34 4.354 5.007 -0.653 1
1 414 . 11 1 1 A 34 34 GLN CA C 34 56.807 54.159 2.648 1
1 415 . 11 1 1 A 34 34 GLN CB C 34 30.119 31.045 -0.926 1
1 417 . 11 1 1 A 34 34 GLN N N 34 128.123 123.683 4.440 1
1 419 . 11 1 1 A 35 35 ASP H H 35 8.524 8.637 -0.113 1
1 420 . 11 1 1 A 35 35 ASP HA H 35 4.609 4.985 -0.376 1
1 423 . 11 1 1 A 35 35 ASP CA C 35 54.226 53.749 0.477 1
1 424 . 11 1 1 A 35 35 ASP CB C 35 41.429 41.276 0.153 1
1 425 . 11 1 1 A 35 35 ASP N N 35 122.485 117.952 4.533 1
1 426 . 11 1 1 A 36 36 GLN H H 36 8.576 7.554 1.022 1
1 427 . 11 1 1 A 36 36 GLN HA H 36 4.041 4.761 -0.720 1
1 434 . 11 1 1 A 36 36 GLN CA C 36 56.662 55.091 1.571 1
1 435 . 11 1 1 A 36 36 GLN CB C 36 29.166 28.480 0.686 1
1 437 . 11 1 1 A 36 36 GLN N N 36 123.321 116.282 7.039 1
1 439 . 11 1 1 A 37 37 ALA H H 37 8.322 8.569 -0.247 1
1 440 . 11 1 1 A 37 37 ALA HA H 37 4.232 4.418 -0.186 1
1 444 . 11 1 1 A 37 37 ALA CA C 37 53.231 53.550 -0.319 1
1 445 . 11 1 1 A 37 37 ALA CB C 37 19.020 20.778 -1.758 1
1 446 . 11 1 1 A 37 37 ALA N N 37 123.086 123.389 -0.303 1
1 447 . 11 1 1 A 38 38 SER H H 38 7.919 7.705 0.214 1
1 448 . 11 1 1 A 38 38 SER HA H 38 4.283 4.557 -0.274 1
1 451 . 11 1 1 A 38 38 SER CA C 38 58.884 56.903 1.981 1
1 452 . 11 1 1 A 38 38 SER CB C 38 63.835 64.718 -0.883 1
1 453 . 11 1 1 A 38 38 SER N N 38 113.578 109.992 3.586 1
1 454 . 11 1 1 A 39 39 LYS H H 39 8.153 8.634 -0.481 1
1 455 . 11 1 1 A 39 39 LYS HA H 39 4.140 4.475 -0.335 1
1 463 . 11 1 1 A 39 39 LYS CA C 39 57.127 56.703 0.424 1
1 464 . 11 1 1 A 39 39 LYS CB C 39 32.812 32.689 0.123 1
1 468 . 11 1 1 A 39 39 LYS N N 39 122.651 123.329 -0.678 1
1 469 . 11 1 1 A 40 40 ASP H H 40 8.100 7.900 0.200 1
1 470 . 11 1 1 A 40 40 ASP HA H 40 4.532 4.880 -0.348 1
1 473 . 11 1 1 A 40 40 ASP CA C 40 54.376 53.365 1.011 1
1 474 . 11 1 1 A 40 40 ASP CB C 40 41.245 41.294 -0.049 1
1 475 . 11 1 1 A 40 40 ASP N N 40 119.441 120.267 -0.826 1
1 476 . 11 1 1 A 41 41 PHE H H 41 7.924 8.411 -0.487 1
1 477 . 11 1 1 A 41 41 PHE HA H 41 4.384 4.779 -0.395 1
1 484 . 11 1 1 A 41 41 PHE CA C 41 58.704 59.783 -1.079 1
1 485 . 11 1 1 A 41 41 PHE CB C 41 39.397 40.764 -1.367 1
1 486 . 11 1 1 A 41 41 PHE N N 41 121.124 121.138 -0.014 1
1 487 . 11 1 1 A 42 42 ASN H H 42 8.311 7.919 0.392 1
1 488 . 11 1 1 A 42 42 ASN HA H 42 4.523 4.403 0.120 1
1 492 . 11 1 1 A 42 42 ASN CA C 42 53.133 54.054 -0.921 1
1 493 . 11 1 1 A 42 42 ASN CB C 42 38.801 38.663 0.138 1
1 494 . 11 1 1 A 42 42 ASN N N 42 120.181 114.120 6.061 1
1 496 . 11 1 1 A 43 43 ARG H H 43 8.133 8.467 -0.334 1
1 497 . 11 1 1 A 43 43 ARG HA H 43 4.115 4.522 -0.407 1
1 504 . 11 1 1 A 43 43 ARG CA C 43 57.051 54.406 2.645 1
1 505 . 11 1 1 A 43 43 ARG CB C 43 30.514 29.285 1.229 1
1 508 . 11 1 1 A 43 43 ARG N N 43 121.727 125.058 -3.331 1
1 509 . 11 1 1 A 44 44 SER H H 44 8.174 8.295 -0.121 1
1 510 . 11 1 1 A 44 44 SER HA H 44 4.286 4.391 -0.105 1
1 513 . 11 1 1 A 44 44 SER CA C 44 59.344 58.459 0.885 1
1 514 . 11 1 1 A 44 44 SER CB C 44 63.357 63.909 -0.552 1
1 515 . 11 1 1 A 44 44 SER N N 44 115.718 120.426 -4.708 1
1 516 . 11 1 1 A 45 45 LYS H H 45 7.963 8.937 -0.974 1
1 517 . 11 1 1 A 45 45 LYS HA H 45 4.123 4.363 -0.240 1
1 526 . 11 1 1 A 45 45 LYS CA C 45 56.866 58.350 -1.484 1
1 527 . 11 1 1 A 45 45 LYS CB C 45 32.777 32.932 -0.155 1
1 530 . 11 1 1 A 45 45 LYS N N 45 122.326 123.024 -0.698 1
1 531 . 11 1 1 A 46 46 ALA H H 46 7.965 7.811 0.154 1
1 532 . 11 1 1 A 46 46 ALA HA H 46 4.165 4.189 -0.024 1
1 536 . 11 1 1 A 46 46 ALA CA C 46 52.999 53.617 -0.618 1
1 537 . 11 1 1 A 46 46 ALA CB C 46 18.944 19.318 -0.374 1
1 538 . 11 1 1 A 46 46 ALA N N 46 123.536 121.272 2.264 1
1 539 . 11 1 1 A 47 47 LEU H H 47 7.898 7.880 0.018 1
1 540 . 11 1 1 A 47 47 LEU HA H 47 4.158 4.362 -0.204 1
1 550 . 11 1 1 A 47 47 LEU CA C 47 55.583 57.215 -1.632 1
1 551 . 11 1 1 A 47 47 LEU CB C 47 42.404 40.889 1.515 1
1 555 . 11 1 1 A 47 47 LEU N N 47 119.914 117.354 2.560 1
1 556 . 11 1 1 A 48 48 PHE H H 48 7.981 9.189 -1.208 1
1 557 . 11 1 1 A 48 48 PHE HA H 48 4.539 4.134 0.405 1
1 564 . 11 1 1 A 48 48 PHE CA C 48 58.033 60.610 -2.577 1
1 565 . 11 1 1 A 48 48 PHE CB C 48 39.470 37.927 1.543 1
1 566 . 11 1 1 A 48 48 PHE N N 48 119.602 120.296 -0.694 1
1 567 . 11 1 1 A 49 49 SER H H 49 8.028 7.551 0.477 1
1 568 . 11 1 1 A 49 49 SER HA H 49 4.332 3.879 0.453 1
1 571 . 11 1 1 A 49 49 SER CA C 49 58.581 60.336 -1.755 1
1 572 . 11 1 1 A 49 49 SER CB C 49 63.866 61.738 2.128 1
1 573 . 11 1 1 A 49 49 SER N N 49 116.270 111.681 4.589 1
1 574 . 11 1 1 A 50 50 GLN H H 50 8.266 8.674 -0.408 1
1 575 . 11 1 1 A 50 50 GLN HA H 50 4.257 3.878 0.379 1
1 582 . 11 1 1 A 50 50 GLN CA C 50 56.435 57.879 -1.444 1
1 583 . 11 1 1 A 50 50 GLN CB C 50 29.204 28.724 0.480 1
1 585 . 11 1 1 A 50 50 GLN N N 50 121.931 122.456 -0.525 1
1 587 . 11 1 1 A 51 51 SER H H 51 8.147 7.630 0.517 1
1 588 . 11 1 1 A 51 51 SER HA H 51 4.338 4.806 -0.468 1
1 591 . 11 1 1 A 51 51 SER CA C 51 58.645 57.283 1.362 1
1 592 . 11 1 1 A 51 51 SER CB C 51 63.784 63.442 0.342 1
1 593 . 11 1 1 A 51 51 SER N N 51 115.676 112.763 2.913 1
1 594 . 11 1 1 A 52 52 ALA H H 52 8.175 8.547 -0.372 1
1 595 . 11 1 1 A 52 52 ALA HA H 52 4.265 4.308 -0.043 1
1 599 . 11 1 1 A 52 52 ALA CA C 52 53.031 54.664 -1.633 1
1 600 . 11 1 1 A 52 52 ALA CB C 52 18.941 18.967 -0.026 1
1 601 . 11 1 1 A 52 52 ALA N N 52 125.360 126.505 -1.145 1
1 602 . 11 1 1 A 53 53 ILE H H 53 7.870 7.689 0.181 1
1 603 . 11 1 1 A 53 53 ILE HA H 53 4.099 4.723 -0.624 1
1 613 . 11 1 1 A 53 53 ILE CA C 53 61.558 59.559 1.999 1
1 614 . 11 1 1 A 53 53 ILE CB C 53 38.851 42.878 -4.027 1
1 618 . 11 1 1 A 53 53 ILE N N 53 118.231 116.468 1.763 1
1 619 . 11 1 1 A 54 54 SER H H 54 8.159 8.715 -0.556 1
1 620 . 11 1 1 A 54 54 SER HA H 54 4.384 4.731 -0.347 1
1 623 . 11 1 1 A 54 54 SER CA C 54 58.551 57.826 0.725 1
1 624 . 11 1 1 A 54 54 SER CB C 54 63.964 62.317 1.647 1
1 625 . 11 1 1 A 54 54 SER N N 54 118.588 120.027 -1.439 1
1 626 . 11 1 1 A 55 55 GLN H H 55 8.301 8.246 0.055 1
1 627 . 11 1 1 A 55 55 GLN HA H 55 4.214 4.453 -0.239 1
1 634 . 11 1 1 A 55 55 GLN CA C 55 56.547 58.765 -2.218 1
1 635 . 11 1 1 A 55 55 GLN CB C 55 29.292 28.280 1.012 1
1 637 . 11 1 1 A 55 55 GLN N N 55 122.173 126.266 -4.093 1
1 639 . 11 1 1 A 56 56 LYS H H 56 8.163 8.632 -0.469 1
1 640 . 11 1 1 A 56 56 LYS HA H 56 4.177 4.146 0.031 1
1 647 . 11 1 1 A 56 56 LYS CA C 56 56.978 59.062 -2.084 1
1 648 . 11 1 1 A 56 56 LYS CB C 56 32.855 32.038 0.817 1
1 651 . 11 1 1 A 56 56 LYS N N 56 121.126 118.404 2.722 1
1 652 . 11 1 1 A 57 57 GLU H H 57 8.211 8.489 -0.278 1
1 653 . 11 1 1 A 57 57 GLU HA H 57 4.151 4.510 -0.359 1
1 658 . 11 1 1 A 57 57 GLU CA C 57 57.058 56.204 0.854 1
1 659 . 11 1 1 A 57 57 GLU CB C 57 30.211 31.290 -1.079 1
1 661 . 11 1 1 A 57 57 GLU N N 57 120.615 118.129 2.486 1
1 662 . 11 1 1 A 58 58 TYR H H 58 8.070 7.638 0.432 1
1 663 . 11 1 1 A 58 58 TYR HA H 58 4.375 5.185 -0.810 1
1 670 . 11 1 1 A 58 58 TYR CA C 58 58.570 56.647 1.923 1
1 671 . 11 1 1 A 58 58 TYR CB C 58 38.962 43.764 -4.802 1
1 672 . 11 1 1 A 58 58 TYR N N 58 120.822 118.432 2.390 1
1 673 . 11 1 1 A 59 59 ASP H H 59 8.146 9.118 -0.972 1
1 674 . 11 1 1 A 59 59 ASP HA H 59 4.492 5.123 -0.631 1
1 677 . 11 1 1 A 59 59 ASP CA C 59 54.396 53.361 1.035 1
1 678 . 11 1 1 A 59 59 ASP CB C 59 41.086 45.023 -3.937 1
1 679 . 11 1 1 A 59 59 ASP N N 59 122.551 120.342 2.209 1
1 680 . 11 1 1 A 60 60 SER H H 60 8.253 8.628 -0.375 1
1 681 . 11 1 1 A 60 60 SER HA H 60 4.260 4.325 -0.065 1
1 684 . 11 1 1 A 60 60 SER CA C 60 59.533 60.085 -0.552 1
1 685 . 11 1 1 A 60 60 SER CB C 60 63.422 63.652 -0.230 1
1 686 . 11 1 1 A 60 60 SER N N 60 117.657 116.343 1.314 1
1 687 . 11 1 1 A 61 61 SER H H 61 8.344 8.276 0.068 1
1 688 . 11 1 1 A 61 61 SER HA H 61 4.307 4.266 0.041 1
1 691 . 11 1 1 A 61 61 SER CA C 61 59.755 61.393 -1.638 1
1 692 . 11 1 1 A 61 61 SER CB C 61 63.582 62.891 0.691 1
1 693 . 11 1 1 A 61 61 SER N N 61 118.129 117.039 1.090 1
1 694 . 11 1 1 A 62 62 LEU H H 62 7.759 7.847 -0.088 1
1 695 . 11 1 1 A 62 62 LEU HA H 62 4.234 4.510 -0.276 1
1 705 . 11 1 1 A 62 62 LEU CA C 62 55.464 54.977 0.487 1
1 706 . 11 1 1 A 62 62 LEU CB C 62 42.238 41.958 0.280 1
1 710 . 11 1 1 A 62 62 LEU N N 62 122.627 116.457 6.170 1
1 711 . 11 1 1 A 63 63 ALA H H 63 7.919 7.927 -0.008 1
1 712 . 11 1 1 A 63 63 ALA HA H 63 4.276 4.506 -0.230 1
1 716 . 11 1 1 A 63 63 ALA CA C 63 52.922 52.066 0.856 1
1 717 . 11 1 1 A 63 63 ALA CB C 63 19.221 19.450 -0.229 1
1 718 . 11 1 1 A 63 63 ALA N N 63 123.444 120.450 2.994 1
1 719 . 11 1 1 A 64 64 THR H H 64 7.890 8.608 -0.718 1
1 720 . 11 1 1 A 64 64 THR HA H 64 4.217 4.723 -0.506 1
1 725 . 11 1 1 A 64 64 THR CA C 64 61.787 60.994 0.793 1
1 726 . 11 1 1 A 64 64 THR CB C 64 69.719 70.345 -0.626 1
1 728 . 11 1 1 A 64 64 THR N N 64 112.279 113.336 -1.057 1
1 729 . 11 1 1 A 65 65 LEU H H 65 8.009 7.948 0.061 1
1 730 . 11 1 1 A 65 65 LEU HA H 65 4.295 3.980 0.315 1
1 740 . 11 1 1 A 65 65 LEU CA C 65 55.345 55.964 -0.619 1
1 741 . 11 1 1 A 65 65 LEU CB C 65 42.412 39.634 2.778 1
1 745 . 11 1 1 A 65 65 LEU N N 65 123.586 117.150 6.436 1
1 746 . 11 1 1 A 66 66 ASP H H 66 8.288 7.596 0.692 1
1 747 . 11 1 1 A 66 66 ASP HA H 66 4.564 4.365 0.199 1
1 750 . 11 1 1 A 66 66 ASP CA C 66 54.676 54.982 -0.306 1
1 751 . 11 1 1 A 66 66 ASP CB C 66 41.376 41.553 -0.177 1
1 752 . 11 1 1 A 66 66 ASP N N 66 120.344 118.754 1.590 1
1 753 . 11 1 1 A 67 67 HIS H H 67 8.058 9.009 -0.951 1
1 754 . 11 1 1 A 67 67 HIS HA H 67 5.247 5.380 -0.133 1
1 758 . 11 1 1 A 67 67 HIS CA C 67 55.260 54.493 0.767 1
1 759 . 11 1 1 A 67 67 HIS CB C 67 31.974 33.359 -1.385 1
1 760 . 11 1 1 A 67 67 HIS N N 67 119.406 119.200 0.206 1
1 761 . 11 1 1 A 68 68 THR H H 68 8.919 9.052 -0.133 1
1 762 . 11 1 1 A 68 68 THR HA H 68 4.484 4.825 -0.341 1
1 767 . 11 1 1 A 68 68 THR CA C 68 62.542 61.581 0.961 1
1 768 . 11 1 1 A 68 68 THR CB C 68 71.067 71.527 -0.460 1
1 770 . 11 1 1 A 68 68 THR N N 68 117.233 115.808 1.425 1
1 771 . 11 1 1 A 69 69 GLU H H 69 8.649 8.944 -0.295 1
1 772 . 11 1 1 A 69 69 GLU HA H 69 4.703 4.711 -0.008 1
1 777 . 11 1 1 A 69 69 GLU CA C 69 55.886 56.224 -0.338 1
1 778 . 11 1 1 A 69 69 GLU CB C 69 31.746 30.274 1.472 1
1 780 . 11 1 1 A 69 69 GLU N N 69 124.187 127.155 -2.968 1
1 781 . 11 1 1 A 70 70 ILE H H 70 8.601 8.778 -0.177 1
1 782 . 11 1 1 A 70 70 ILE HA H 70 4.405 4.294 0.111 1
1 792 . 11 1 1 A 70 70 ILE CA C 70 59.234 61.600 -2.366 1
1 793 . 11 1 1 A 70 70 ILE CB C 70 37.318 36.938 0.380 1
1 797 . 11 1 1 A 70 70 ILE N N 70 123.482 126.725 -3.243 1
1 798 . 11 1 1 A 71 71 LYS H H 71 8.926 8.630 0.296 1
1 799 . 11 1 1 A 71 71 LYS HA H 71 5.078 4.886 0.192 1
1 806 . 11 1 1 A 71 71 LYS CA C 71 54.584 54.575 0.009 1
1 807 . 11 1 1 A 71 71 LYS CB C 71 36.281 33.971 2.310 1
1 810 . 11 1 1 A 71 71 LYS N N 71 128.267 127.679 0.588 1
1 811 . 11 1 1 A 72 72 ALA H H 72 8.633 8.441 0.192 1
1 812 . 11 1 1 A 72 72 ALA HA H 72 4.067 4.398 -0.331 1
1 816 . 11 1 1 A 72 72 ALA CA C 72 49.967 50.760 -0.793 1
1 817 . 11 1 1 A 72 72 ALA CB C 72 17.255 17.826 -0.571 1
1 818 . 11 1 1 A 72 72 ALA N N 72 123.088 125.162 -2.074 1
1 819 . 11 1 1 A 73 73 PRO HA H 73 4.333 4.207 0.126 1
1 826 . 11 1 1 A 73 73 PRO CA C 73 63.716 64.092 -0.376 1
1 827 . 11 1 1 A 73 73 PRO CB C 73 31.915 31.459 0.456 1
1 830 . 11 1 1 A 74 74 PHE H H 74 6.768 6.975 -0.207 1
1 831 . 11 1 1 A 74 74 PHE HA H 74 4.421 4.841 -0.420 1
1 838 . 11 1 1 A 74 74 PHE CA C 74 54.396 56.413 -2.017 1
1 839 . 11 1 1 A 74 74 PHE CB C 74 40.697 40.706 -0.009 1
1 840 . 11 1 1 A 74 74 PHE N N 74 112.022 112.090 -0.068 1
1 841 . 11 1 1 A 75 75 ASP H H 75 8.583 8.716 -0.133 1
1 842 . 11 1 1 A 75 75 ASP HA H 75 4.922 4.809 0.113 1
1 845 . 11 1 1 A 75 75 ASP CA C 75 53.873 55.690 -1.817 1
1 846 . 11 1 1 A 75 75 ASP CB C 75 40.839 41.442 -0.603 1
1 847 . 11 1 1 A 75 75 ASP N N 75 118.252 121.483 -3.231 1
1 848 . 11 1 1 A 76 76 GLY H H 76 8.348 8.109 0.239 1
1 849 . 11 1 1 A 76 76 GLY HA2 H 76 4.236 4.321 -0.085 1
1 850 . 11 1 1 A 76 76 GLY HA3 H 76 4.075 4.357 -0.282 1
1 851 . 11 1 1 A 76 76 GLY CA C 76 46.639 46.255 0.384 1
1 852 . 11 1 1 A 76 76 GLY N N 76 108.729 111.376 -2.647 1
1 853 . 11 1 1 A 77 77 THR H H 77 8.623 8.402 0.221 1
1 854 . 11 1 1 A 77 77 THR HA H 77 4.975 5.257 -0.282 1
1 859 . 11 1 1 A 77 77 THR CA C 77 61.752 61.084 0.668 1
1 860 . 11 1 1 A 77 77 THR CB C 77 70.121 72.274 -2.153 1
1 862 . 11 1 1 A 77 77 THR N N 77 116.400 115.527 0.873 1
1 863 . 11 1 1 A 78 78 ILE H H 78 8.824 9.046 -0.222 1
1 864 . 11 1 1 A 78 78 ILE HA H 78 4.673 5.046 -0.373 1
1 874 . 11 1 1 A 78 78 ILE CA C 78 60.164 59.241 0.923 1
1 875 . 11 1 1 A 78 78 ILE CB C 78 42.973 41.037 1.936 1
1 879 . 11 1 1 A 78 78 ILE N N 78 129.310 125.093 4.217 1
1 880 . 11 1 1 A 79 79 GLY H H 79 8.060 8.614 -0.554 1
1 881 . 11 1 1 A 79 79 GLY HA2 H 79 4.404 3.892 0.512 1
1 882 . 11 1 1 A 79 79 GLY HA3 H 79 3.775 3.901 -0.126 1
1 883 . 11 1 1 A 79 79 GLY CA C 79 44.149 45.406 -1.257 1
1 884 . 11 1 1 A 79 79 GLY N N 79 114.539 116.617 -2.078 1
1 885 . 11 1 1 A 80 80 ASP H H 80 7.804 8.118 -0.314 1
1 886 . 11 1 1 A 80 80 ASP HA H 80 4.703 4.791 -0.088 1
1 889 . 11 1 1 A 80 80 ASP CA C 80 53.703 54.796 -1.093 1
1 890 . 11 1 1 A 80 80 ASP CB C 80 41.918 40.285 1.633 1
1 891 . 11 1 1 A 80 80 ASP N N 80 113.688 118.721 -5.033 1
1 892 . 11 1 1 A 81 81 ALA H H 81 8.566 8.683 -0.117 1
1 893 . 11 1 1 A 81 81 ALA HA H 81 4.571 4.847 -0.276 1
1 897 . 11 1 1 A 81 81 ALA CA C 81 53.312 52.380 0.932 1
1 898 . 11 1 1 A 81 81 ALA CB C 81 20.381 19.968 0.413 1
1 899 . 11 1 1 A 81 81 ALA N N 81 124.136 125.676 -1.540 1
1 900 . 11 1 1 A 82 82 LEU H H 82 8.747 8.701 0.046 1
1 901 . 11 1 1 A 82 82 LEU HA H 82 4.345 4.692 -0.347 1
1 910 . 11 1 1 A 82 82 LEU CA C 82 55.210 54.919 0.291 1
1 911 . 11 1 1 A 82 82 LEU CB C 82 41.457 44.184 -2.727 1
1 914 . 11 1 1 A 82 82 LEU N N 82 121.773 119.165 2.608 1
1 915 . 11 1 1 A 83 83 VAL H H 83 7.141 7.459 -0.318 1
1 916 . 11 1 1 A 83 83 VAL HA H 83 4.496 4.654 -0.158 1
1 924 . 11 1 1 A 83 83 VAL CA C 83 58.502 59.938 -1.436 1
1 925 . 11 1 1 A 83 83 VAL CB C 83 35.229 34.368 0.861 1
1 928 . 11 1 1 A 83 83 VAL N N 83 108.169 116.186 -8.017 1
1 929 . 11 1 1 A 84 84 ASN H H 84 9.076 8.800 0.276 1
1 930 . 11 1 1 A 84 84 ASN HA H 84 4.887 5.420 -0.533 1
1 935 . 11 1 1 A 84 84 ASN CA C 84 51.248 52.107 -0.859 1
1 936 . 11 1 1 A 84 84 ASN CB C 84 41.989 42.312 -0.323 1
1 937 . 11 1 1 A 84 84 ASN N N 84 119.502 118.314 1.188 1
1 939 . 11 1 1 A 85 85 ILE H H 85 8.404 8.457 -0.053 1
1 940 . 11 1 1 A 85 85 ILE HA H 85 3.393 4.077 -0.684 1
1 950 . 11 1 1 A 85 85 ILE CA C 85 63.873 62.714 1.159 1
1 951 . 11 1 1 A 85 85 ILE CB C 85 37.146 38.492 -1.346 1
1 955 . 11 1 1 A 85 85 ILE N N 85 119.409 122.412 -3.003 1
1 956 . 11 1 1 A 86 86 GLY H H 86 9.239 8.546 0.693 1
1 957 . 11 1 1 A 86 86 GLY HA2 H 86 4.401 3.907 0.494 1
1 958 . 11 1 1 A 86 86 GLY HA3 H 86 3.411 3.908 -0.497 1
1 959 . 11 1 1 A 86 86 GLY CA C 86 44.869 45.750 -0.881 1
1 960 . 11 1 1 A 86 86 GLY N N 86 117.321 115.484 1.837 1
1 961 . 11 1 1 A 87 87 ASP H H 87 7.968 8.146 -0.178 1
1 962 . 11 1 1 A 87 87 ASP HA H 87 4.607 4.968 -0.361 1
1 965 . 11 1 1 A 87 87 ASP CA C 87 54.886 53.111 1.775 1
1 966 . 11 1 1 A 87 87 ASP CB C 87 40.771 43.028 -2.257 1
1 967 . 11 1 1 A 87 87 ASP N N 87 121.490 121.026 0.464 1
1 968 . 11 1 1 A 88 88 TYR H H 88 8.566 8.964 -0.398 1
1 969 . 11 1 1 A 88 88 TYR HA H 88 4.712 4.982 -0.270 1
1 976 . 11 1 1 A 88 88 TYR CA C 88 57.826 59.702 -1.876 1
1 977 . 11 1 1 A 88 88 TYR CB C 88 39.243 39.343 -0.100 1
1 978 . 11 1 1 A 88 88 TYR N N 88 122.340 126.149 -3.809 1
1 979 . 11 1 1 A 89 89 VAL H H 89 8.951 8.194 0.757 1
1 980 . 11 1 1 A 89 89 VAL HA H 89 4.578 4.803 -0.225 1
1 988 . 11 1 1 A 89 89 VAL CA C 89 58.339 59.302 -0.963 1
1 989 . 11 1 1 A 89 89 VAL CB C 89 34.321 35.977 -1.656 1
1 992 . 11 1 1 A 89 89 VAL N N 89 121.914 120.689 1.225 1
1 993 . 11 1 1 A 90 90 SER H H 90 8.777 8.723 0.054 1
1 994 . 11 1 1 A 90 90 SER HA H 90 4.750 4.555 0.195 1
1 997 . 11 1 1 A 90 90 SER CA C 90 56.895 57.938 -1.043 1
1 998 . 11 1 1 A 90 90 SER CB C 90 64.866 64.676 0.190 1
1 999 . 11 1 1 A 90 90 SER N N 90 114.813 119.102 -4.289 1
1 1000 . 11 1 1 A 91 91 ALA H H 91 8.712 8.829 -0.117 1
1 1001 . 11 1 1 A 91 91 ALA HA H 91 3.515 4.364 -0.849 1
1 1005 . 11 1 1 A 91 91 ALA CA C 91 53.317 54.590 -1.273 1
1 1006 . 11 1 1 A 91 91 ALA CB C 91 18.678 19.051 -0.373 1
1 1007 . 11 1 1 A 91 91 ALA N N 91 129.870 124.475 5.395 1
1 1008 . 11 1 1 A 92 92 SER H H 92 9.170 8.116 1.054 1
1 1009 . 11 1 1 A 92 92 SER HA H 92 3.817 4.388 -0.571 1
1 1012 . 11 1 1 A 92 92 SER CA C 92 60.652 58.643 2.009 1
1 1013 . 11 1 1 A 92 92 SER CB C 92 62.505 63.437 -0.932 1
1 1014 . 11 1 1 A 92 92 SER N N 92 113.294 112.431 0.863 1
1 1015 . 11 1 1 A 93 93 THR H H 93 7.816 7.566 0.250 1
1 1016 . 11 1 1 A 93 93 THR HA H 93 4.402 4.308 0.094 1
1 1021 . 11 1 1 A 93 93 THR CA C 93 64.378 63.905 0.473 1
1 1022 . 11 1 1 A 93 93 THR CB C 93 70.948 69.637 1.311 1
1 1024 . 11 1 1 A 93 93 THR N N 93 113.858 113.884 -0.026 1
1 1025 . 11 1 1 A 94 94 THR H H 94 7.702 7.583 0.119 1
1 1026 . 11 1 1 A 94 94 THR HA H 94 3.910 4.529 -0.619 1
1 1031 . 11 1 1 A 94 94 THR CA C 94 65.140 60.747 4.393 1
1 1032 . 11 1 1 A 94 94 THR CB C 94 70.001 68.889 1.112 1
1 1034 . 11 1 1 A 94 94 THR N N 94 119.588 116.327 3.261 1
1 1035 . 11 1 1 A 95 95 GLU H H 95 8.407 8.378 0.029 1
1 1036 . 11 1 1 A 95 95 GLU HA H 95 3.801 4.566 -0.765 1
1 1041 . 11 1 1 A 95 95 GLU CA C 95 56.613 56.028 0.585 1
1 1042 . 11 1 1 A 95 95 GLU CB C 95 29.600 28.896 0.704 1
1 1044 . 11 1 1 A 95 95 GLU N N 95 124.764 124.278 0.486 1
1 1045 . 11 1 1 A 96 96 LEU H H 96 8.750 7.854 0.896 1
1 1046 . 11 1 1 A 96 96 LEU HA H 96 4.260 4.068 0.192 1
1 1056 . 11 1 1 A 96 96 LEU CA C 96 56.927 56.823 0.104 1
1 1057 . 11 1 1 A 96 96 LEU CB C 96 43.310 41.624 1.686 1
1 1061 . 11 1 1 A 96 96 LEU N N 96 120.035 121.157 -1.122 1
1 1062 . 11 1 1 A 97 97 VAL H H 97 7.053 7.422 -0.369 1
1 1063 . 11 1 1 A 97 97 VAL HA H 97 4.345 4.466 -0.121 1
1 1071 . 11 1 1 A 97 97 VAL CA C 97 61.291 60.683 0.608 1
1 1072 . 11 1 1 A 97 97 VAL CB C 97 31.577 34.206 -2.629 1
1 1075 . 11 1 1 A 97 97 VAL N N 97 112.365 117.388 -5.023 1
1 1076 . 11 1 1 A 98 98 ARG H H 98 8.980 8.744 0.236 1
1 1077 . 11 1 1 A 98 98 ARG HA H 98 5.267 4.992 0.275 1
1 1084 . 11 1 1 A 98 98 ARG CA C 98 55.195 54.367 0.828 1
1 1085 . 11 1 1 A 98 98 ARG CB C 98 32.818 33.740 -0.922 1
1 1088 . 11 1 1 A 98 98 ARG N N 98 127.477 126.607 0.870 1
1 1089 . 11 1 1 A 99 99 VAL H H 99 8.887 8.814 0.073 1
1 1090 . 11 1 1 A 99 99 VAL HA H 99 4.556 4.904 -0.348 1
1 1095 . 11 1 1 A 99 99 VAL CA C 99 60.968 60.542 0.426 1
1 1096 . 11 1 1 A 99 99 VAL CB C 99 34.186 33.643 0.543 1
1 1098 . 11 1 1 A 99 99 VAL N N 99 122.826 122.627 0.199 1
1 1099 . 11 1 1 A 100 100 THR H H 100 8.833 8.556 0.277 1
1 1100 . 11 1 1 A 100 100 THR HA H 100 4.559 4.791 -0.232 1
1 1105 . 11 1 1 A 100 100 THR CA C 100 61.080 60.065 1.015 1
1 1106 . 11 1 1 A 100 100 THR CB C 100 70.669 71.714 -1.045 1
1 1108 . 11 1 1 A 100 100 THR N N 100 121.816 119.691 2.125 1
1 1109 . 11 1 1 A 101 101 ASN H H 101 8.153 9.150 -0.997 1
1 1110 . 11 1 1 A 101 101 ASN HA H 101 4.518 4.325 0.193 1
1 1115 . 11 1 1 A 101 101 ASN CA C 101 54.238 53.825 0.413 1
1 1116 . 11 1 1 A 101 101 ASN CB C 101 38.470 36.951 1.519 1
1 1117 . 11 1 1 A 101 101 ASN N N 101 122.733 119.947 2.786 1
1 1119 . 11 1 1 A 102 102 LEU H H 102 8.160 7.945 0.215 1
1 1120 . 11 1 1 A 102 102 LEU HA H 102 4.245 4.457 -0.212 1
1 1130 . 11 1 1 A 102 102 LEU CA C 102 55.449 56.223 -0.774 1
1 1131 . 11 1 1 A 102 102 LEU CB C 102 42.549 44.283 -1.734 1
1 1135 . 11 1 1 A 102 102 LEU N N 102 122.544 119.497 3.047 1
1 1136 . 11 1 1 A 103 103 ASN H H 103 8.405 7.842 0.563 1
1 1137 . 11 1 1 A 103 103 ASN HA H 103 4.867 5.133 -0.266 1
1 1142 . 11 1 1 A 103 103 ASN CA C 103 51.316 50.351 0.965 1
1 1143 . 11 1 1 A 103 103 ASN CB C 103 39.049 40.016 -0.967 1
1 1144 . 11 1 1 A 103 103 ASN N N 103 120.174 114.016 6.158 1
1 1146 . 11 1 1 A 104 104 PRO HA H 104 4.230 4.568 -0.338 1
1 1153 . 11 1 1 A 104 104 PRO CA C 104 63.559 62.158 1.401 1
1 1154 . 11 1 1 A 104 104 PRO CB C 104 32.102 30.091 2.011 1
1 1157 . 11 1 1 A 105 105 ILE H H 105 7.886 8.309 -0.423 1
1 1158 . 11 1 1 A 105 105 ILE HA H 105 3.941 3.749 0.192 1
1 1168 . 11 1 1 A 105 105 ILE CA C 105 61.348 60.874 0.474 1
1 1169 . 11 1 1 A 105 105 ILE CB C 105 38.569 37.922 0.647 1
1 1173 . 11 1 1 A 105 105 ILE N N 105 119.390 120.728 -1.338 1
1 1174 . 11 1 1 A 106 106 TYR H H 106 7.961 8.098 -0.137 1
1 1175 . 11 1 1 A 106 106 TYR HA H 106 4.536 4.166 0.370 1
1 1182 . 11 1 1 A 106 106 TYR CA C 106 57.370 61.352 -3.982 1
1 1183 . 11 1 1 A 106 106 TYR CB C 106 38.889 36.419 2.470 1
1 1184 . 11 1 1 A 106 106 TYR N N 106 123.172 118.972 4.200 1
1 1185 . 11 1 1 A 107 107 ALA H H 107 8.128 8.701 -0.573 1
1 1186 . 11 1 1 A 107 107 ALA HA H 107 4.217 4.023 0.194 1
1 1190 . 11 1 1 A 107 107 ALA CA C 107 52.724 52.785 -0.061 1
1 1191 . 11 1 1 A 107 107 ALA CB C 107 19.133 17.812 1.321 1
1 1192 . 11 1 1 A 107 107 ALA N N 107 125.520 120.417 5.103 1
1 1193 . 11 1 1 A 108 108 ASP H H 108 8.147 8.586 -0.439 1
1 1194 . 11 1 1 A 108 108 ASP HA H 108 4.511 4.885 -0.374 1
1 1197 . 11 1 1 A 108 108 ASP CA C 108 54.342 53.307 1.035 1
1 1198 . 11 1 1 A 108 108 ASP CB C 108 41.240 42.217 -0.977 1
1 1199 . 11 1 1 A 108 108 ASP N N 108 119.219 120.199 -0.980 1
1 1200 . 11 1 1 A 109 109 GLY H H 109 8.313 7.483 0.830 1
1 1201 . 11 1 1 A 109 109 GLY HA2 H 109 3.946 4.144 -0.198 1
1 1202 . 11 1 1 A 109 109 GLY HA3 H 109 3.848 4.147 -0.299 1
1 1203 . 11 1 1 A 109 109 GLY CA C 109 45.692 46.048 -0.356 1
1 1204 . 11 1 1 A 109 109 GLY N N 109 109.478 107.415 2.063 1
1 1205 . 11 1 1 A 110 110 SER H H 110 8.175 8.784 -0.609 1
1 1206 . 11 1 1 A 110 110 SER HA H 110 4.286 4.519 -0.233 1
1 1209 . 11 1 1 A 110 110 SER CA C 110 59.296 60.103 -0.807 1
1 1210 . 11 1 1 A 110 110 SER CB C 110 63.825 64.462 -0.637 1
1 1211 . 11 1 1 A 110 110 SER N N 110 115.660 116.851 -1.191 1
1 1212 . 11 1 1 A 111 111 HIS HA H 111 4.527 4.615 -0.088 1
1 1215 . 11 1 1 A 111 111 HIS CA C 111 56.109 57.257 -1.148 1
1 1216 . 11 1 1 A 111 111 HIS CB C 111 30.580 30.412 0.168 1
1 1217 . 11 1 1 A 112 112 HIS HA H 112 4.535 4.820 -0.285 1
1 1220 . 11 1 1 A 112 112 HIS CA C 112 57.411 54.493 2.918 1
1 1221 . 11 1 1 A 112 112 HIS CB C 112 30.756 31.332 -0.576 1
1 2 . 12 1 1 A 2 2 VAL H H 2 8.613 7.989 0.624 1
1 3 . 12 1 1 A 2 2 VAL HA H 2 4.487 4.678 -0.191 1
1 11 . 12 1 1 A 2 2 VAL CA C 2 61.103 59.852 1.251 1
1 12 . 12 1 1 A 2 2 VAL CB C 2 35.731 34.957 0.774 1
1 15 . 12 1 1 A 2 2 VAL N N 2 117.956 116.098 1.858 1
1 16 . 12 1 1 A 3 3 ILE H H 3 8.439 8.881 -0.442 1
1 17 . 12 1 1 A 3 3 ILE HA H 3 4.498 4.662 -0.164 1
1 27 . 12 1 1 A 3 3 ILE CA C 3 60.172 59.885 0.287 1
1 28 . 12 1 1 A 3 3 ILE CB C 3 38.528 40.776 -2.248 1
1 32 . 12 1 1 A 3 3 ILE N N 3 125.643 124.568 1.075 1
1 33 . 12 1 1 A 4 4 ILE H H 4 8.543 8.492 0.051 1
1 34 . 12 1 1 A 4 4 ILE HA H 4 4.005 4.009 -0.004 1
1 44 . 12 1 1 A 4 4 ILE CA C 4 61.550 61.991 -0.441 1
1 45 . 12 1 1 A 4 4 ILE CB C 4 38.038 38.191 -0.153 1
1 49 . 12 1 1 A 4 4 ILE N N 4 127.460 128.060 -0.600 1
1 50 . 12 1 1 A 5 5 LYS H H 5 8.292 8.437 -0.145 1
1 51 . 12 1 1 A 5 5 LYS HA H 5 5.173 4.662 0.511 1
1 60 . 12 1 1 A 5 5 LYS CA C 5 53.276 53.073 0.203 1
1 61 . 12 1 1 A 5 5 LYS CB C 5 33.713 33.397 0.316 1
1 65 . 12 1 1 A 5 5 LYS N N 5 126.677 127.379 -0.702 1
1 66 . 12 1 1 A 6 6 PRO HA H 6 4.383 4.347 0.036 1
1 73 . 12 1 1 A 6 6 PRO CA C 6 62.444 64.012 -1.568 1
1 74 . 12 1 1 A 6 6 PRO CB C 6 32.018 31.959 0.059 1
1 77 . 12 1 1 A 7 7 GLN H H 7 9.359 8.075 1.284 1
1 78 . 12 1 1 A 7 7 GLN HA H 7 4.406 3.907 0.499 1
1 85 . 12 1 1 A 7 7 GLN CA C 7 56.357 57.367 -1.010 1
1 86 . 12 1 1 A 7 7 GLN CB C 7 28.784 28.301 0.483 1
1 88 . 12 1 1 A 7 7 GLN N N 7 119.975 118.478 1.497 1
1 90 . 12 1 1 A 8 8 VAL H H 8 7.032 7.227 -0.195 1
1 91 . 12 1 1 A 8 8 VAL HA H 8 4.486 4.724 -0.238 1
1 99 . 12 1 1 A 8 8 VAL CA C 8 58.874 58.770 0.104 1
1 100 . 12 1 1 A 8 8 VAL CB C 8 35.169 36.031 -0.862 1
1 103 . 12 1 1 A 8 8 VAL N N 8 111.122 115.871 -4.749 1
1 104 . 12 1 1 A 9 9 SER H H 9 8.210 8.737 -0.527 1
1 105 . 12 1 1 A 9 9 SER HA H 9 4.957 5.399 -0.442 1
1 108 . 12 1 1 A 9 9 SER CA C 9 56.585 56.432 0.153 1
1 109 . 12 1 1 A 9 9 SER CB C 9 64.442 65.113 -0.671 1
1 110 . 12 1 1 A 9 9 SER N N 9 115.043 116.049 -1.006 1
1 111 . 12 1 1 A 10 10 GLY H H 10 8.003 7.951 0.052 1
1 112 . 12 1 1 A 10 10 GLY HA2 H 10 4.412 4.239 0.173 1
1 113 . 12 1 1 A 10 10 GLY HA3 H 10 3.645 4.282 -0.637 1
1 114 . 12 1 1 A 10 10 GLY CA C 10 45.292 46.148 -0.856 1
1 115 . 12 1 1 A 10 10 GLY N N 10 108.708 109.243 -0.535 1
1 116 . 12 1 1 A 11 11 VAL H H 11 8.006 7.936 0.070 1
1 117 . 12 1 1 A 11 11 VAL HA H 11 4.743 4.780 -0.037 1
1 125 . 12 1 1 A 11 11 VAL CA C 11 60.539 60.579 -0.040 1
1 126 . 12 1 1 A 11 11 VAL CB C 11 34.951 35.703 -0.752 1
1 129 . 12 1 1 A 11 11 VAL N N 11 118.308 120.508 -2.200 1
1 130 . 12 1 1 A 12 12 ILE H H 12 8.459 8.687 -0.228 1
1 131 . 12 1 1 A 12 12 ILE HA H 12 4.050 4.090 -0.040 1
1 141 . 12 1 1 A 12 12 ILE CA C 12 60.287 62.425 -2.138 1
1 142 . 12 1 1 A 12 12 ILE CB C 12 35.650 38.067 -2.417 1
1 146 . 12 1 1 A 12 12 ILE N N 12 125.265 125.872 -0.607 1
1 147 . 12 1 1 A 13 13 VAL H H 13 8.908 9.333 -0.425 1
1 148 . 12 1 1 A 13 13 VAL HA H 13 4.500 4.305 0.195 1
1 156 . 12 1 1 A 13 13 VAL CA C 13 62.126 63.313 -1.187 1
1 157 . 12 1 1 A 13 13 VAL CB C 13 33.291 33.780 -0.489 1
1 160 . 12 1 1 A 13 13 VAL N N 13 124.479 126.289 -1.810 1
1 161 . 12 1 1 A 14 14 ASN H H 14 7.653 7.281 0.372 1
1 162 . 12 1 1 A 14 14 ASN HA H 14 4.819 5.162 -0.343 1
1 167 . 12 1 1 A 14 14 ASN CA C 14 52.806 52.499 0.307 1
1 168 . 12 1 1 A 14 14 ASN CB C 14 41.978 41.989 -0.011 1
1 169 . 12 1 1 A 14 14 ASN N N 14 114.961 114.776 0.185 1
1 171 . 12 1 1 A 15 15 LYS H H 15 8.404 8.799 -0.395 1
1 172 . 12 1 1 A 15 15 LYS HA H 15 4.641 4.944 -0.303 1
1 179 . 12 1 1 A 15 15 LYS CA C 15 55.935 55.072 0.863 1
1 180 . 12 1 1 A 15 15 LYS CB C 15 35.274 34.156 1.118 1
1 183 . 12 1 1 A 15 15 LYS N N 15 123.768 119.318 4.450 1
1 184 . 12 1 1 A 16 16 LEU H H 16 8.020 8.612 -0.592 1
1 185 . 12 1 1 A 16 16 LEU HA H 16 4.611 4.451 0.160 1
1 195 . 12 1 1 A 16 16 LEU CA C 16 55.124 53.987 1.137 1
1 196 . 12 1 1 A 16 16 LEU CB C 16 41.308 40.303 1.005 1
1 200 . 12 1 1 A 16 16 LEU N N 16 126.162 126.771 -0.609 1
1 201 . 12 1 1 A 17 17 PHE H H 17 6.573 7.781 -1.208 1
1 202 . 12 1 1 A 17 17 PHE HA H 17 4.862 5.125 -0.263 1
1 207 . 12 1 1 A 17 17 PHE CA C 17 55.528 55.188 0.340 1
1 208 . 12 1 1 A 17 17 PHE CB C 17 41.093 41.779 -0.686 1
1 209 . 12 1 1 A 17 17 PHE N N 17 113.628 115.297 -1.669 1
1 210 . 12 1 1 A 18 18 LYS H H 18 8.655 8.535 0.120 1
1 211 . 12 1 1 A 18 18 LYS HA H 18 4.333 4.470 -0.137 1
1 220 . 12 1 1 A 18 18 LYS CA C 18 54.277 54.067 0.210 1
1 221 . 12 1 1 A 18 18 LYS CB C 18 35.134 36.264 -1.130 1
1 225 . 12 1 1 A 18 18 LYS N N 18 120.572 118.589 1.983 1
1 226 . 12 1 1 A 19 19 ALA H H 19 8.407 8.347 0.060 1
1 227 . 12 1 1 A 19 19 ALA HA H 19 3.962 4.492 -0.530 1
1 231 . 12 1 1 A 19 19 ALA CA C 19 53.980 52.625 1.355 1
1 232 . 12 1 1 A 19 19 ALA CB C 19 18.497 19.379 -0.882 1
1 233 . 12 1 1 A 19 19 ALA N N 19 123.842 124.395 -0.553 1
1 234 . 12 1 1 A 20 20 GLY H H 20 8.814 8.481 0.333 1
1 235 . 12 1 1 A 20 20 GLY HA2 H 20 4.313 3.834 0.479 1
1 236 . 12 1 1 A 20 20 GLY HA3 H 20 3.532 3.852 -0.320 1
1 237 . 12 1 1 A 20 20 GLY CA C 20 45.045 45.890 -0.845 1
1 238 . 12 1 1 A 20 20 GLY N N 20 112.434 111.372 1.062 1
1 239 . 12 1 1 A 21 21 ASP H H 21 7.933 8.021 -0.088 1
1 240 . 12 1 1 A 21 21 ASP HA H 21 4.499 4.926 -0.427 1
1 243 . 12 1 1 A 21 21 ASP CA C 21 55.383 53.132 2.251 1
1 244 . 12 1 1 A 21 21 ASP CB C 21 41.067 42.980 -1.913 1
1 245 . 12 1 1 A 21 21 ASP N N 21 121.505 120.624 0.881 1
1 246 . 12 1 1 A 22 22 LYS H H 22 8.311 8.236 0.075 1
1 247 . 12 1 1 A 22 22 LYS HA H 22 4.871 4.605 0.266 1
1 256 . 12 1 1 A 22 22 LYS CA C 22 55.659 56.205 -0.546 1
1 257 . 12 1 1 A 22 22 LYS CB C 22 31.820 33.006 -1.186 1
1 261 . 12 1 1 A 22 22 LYS N N 22 120.225 120.014 0.211 1
1 262 . 12 1 1 A 23 23 VAL H H 23 8.935 9.118 -0.183 1
1 263 . 12 1 1 A 23 23 VAL HA H 23 4.841 4.863 -0.022 1
1 271 . 12 1 1 A 23 23 VAL CA C 23 58.502 60.600 -2.098 1
1 272 . 12 1 1 A 23 23 VAL CB C 23 34.507 34.093 0.414 1
1 275 . 12 1 1 A 23 23 VAL N N 23 117.700 123.363 -5.663 1
1 276 . 12 1 1 A 24 24 LYS H H 24 7.960 8.811 -0.851 1
1 277 . 12 1 1 A 24 24 LYS HA H 24 4.838 5.217 -0.379 1
1 286 . 12 1 1 A 24 24 LYS CA C 24 53.195 54.263 -1.068 1
1 287 . 12 1 1 A 24 24 LYS CB C 24 35.213 36.292 -1.079 1
1 291 . 12 1 1 A 24 24 LYS N N 24 121.958 124.633 -2.675 1
1 292 . 12 1 1 A 25 25 LYS H H 25 8.915 8.681 0.234 1
1 293 . 12 1 1 A 25 25 LYS HA H 25 3.156 3.884 -0.728 1
1 300 . 12 1 1 A 25 25 LYS CA C 25 58.648 58.526 0.122 1
1 301 . 12 1 1 A 25 25 LYS CB C 25 32.648 32.069 0.579 1
1 304 . 12 1 1 A 25 25 LYS N N 25 121.653 125.234 -3.581 1
1 305 . 12 1 1 A 26 26 GLY H H 26 8.900 8.749 0.151 1
1 306 . 12 1 1 A 26 26 GLY HA2 H 26 4.283 3.908 0.375 1
1 307 . 12 1 1 A 26 26 GLY HA3 H 26 3.471 3.922 -0.451 1
1 308 . 12 1 1 A 26 26 GLY CA C 26 45.263 45.473 -0.210 1
1 309 . 12 1 1 A 26 26 GLY N N 26 115.268 112.604 2.664 1
1 310 . 12 1 1 A 27 27 GLN H H 27 8.433 8.017 0.416 1
1 311 . 12 1 1 A 27 27 GLN HA H 27 4.141 4.410 -0.269 1
1 318 . 12 1 1 A 27 27 GLN CA C 27 56.324 55.529 0.795 1
1 319 . 12 1 1 A 27 27 GLN CB C 27 30.520 29.650 0.870 1
1 321 . 12 1 1 A 27 27 GLN N N 27 123.155 120.494 2.661 1
1 323 . 12 1 1 A 28 28 THR H H 28 9.110 8.962 0.148 1
1 324 . 12 1 1 A 28 28 THR HA H 28 3.893 4.232 -0.339 1
1 329 . 12 1 1 A 28 28 THR CA C 28 65.828 63.908 1.920 1
1 330 . 12 1 1 A 28 28 THR CB C 28 68.581 69.385 -0.804 1
1 332 . 12 1 1 A 28 28 THR N N 28 124.748 121.544 3.204 1
1 333 . 12 1 1 A 29 29 LEU H H 29 9.509 8.993 0.516 1
1 334 . 12 1 1 A 29 29 LEU HA H 29 4.383 4.427 -0.044 1
1 344 . 12 1 1 A 29 29 LEU CA C 29 55.795 55.486 0.309 1
1 345 . 12 1 1 A 29 29 LEU CB C 29 44.572 44.450 0.122 1
1 349 . 12 1 1 A 29 29 LEU N N 29 125.873 126.200 -0.327 1
1 350 . 12 1 1 A 30 30 PHE H H 30 7.579 7.714 -0.135 1
1 351 . 12 1 1 A 30 30 PHE HA H 30 5.367 5.171 0.196 1
1 359 . 12 1 1 A 30 30 PHE CA C 30 55.486 56.108 -0.622 1
1 360 . 12 1 1 A 30 30 PHE CB C 30 44.887 43.819 1.068 1
1 361 . 12 1 1 A 30 30 PHE N N 30 111.134 115.314 -4.180 1
1 362 . 12 1 1 A 31 31 ILE H H 31 7.858 8.580 -0.722 1
1 363 . 12 1 1 A 31 31 ILE HA H 31 4.817 4.861 -0.044 1
1 373 . 12 1 1 A 31 31 ILE CA C 31 60.063 60.496 -0.433 1
1 374 . 12 1 1 A 31 31 ILE CB C 31 39.395 41.948 -2.553 1
1 378 . 12 1 1 A 31 31 ILE N N 31 119.416 119.957 -0.541 1
1 379 . 12 1 1 A 32 32 ILE H H 32 9.107 8.588 0.519 1
1 380 . 12 1 1 A 32 32 ILE HA H 32 4.842 4.935 -0.093 1
1 390 . 12 1 1 A 32 32 ILE CA C 32 59.002 59.915 -0.913 1
1 391 . 12 1 1 A 32 32 ILE CB C 32 42.048 42.544 -0.496 1
1 395 . 12 1 1 A 32 32 ILE N N 32 127.892 126.777 1.115 1
1 396 . 12 1 1 A 33 33 GLU H H 33 9.095 8.410 0.685 1
1 397 . 12 1 1 A 33 33 GLU HA H 33 4.642 5.086 -0.444 1
1 402 . 12 1 1 A 33 33 GLU CA C 33 54.985 55.199 -0.214 1
1 403 . 12 1 1 A 33 33 GLU CB C 33 31.672 31.136 0.536 1
1 405 . 12 1 1 A 33 33 GLU N N 33 128.157 125.155 3.002 1
1 406 . 12 1 1 A 34 34 GLN H H 34 8.725 8.978 -0.253 1
1 407 . 12 1 1 A 34 34 GLN HA H 34 4.354 5.052 -0.698 1
1 414 . 12 1 1 A 34 34 GLN CA C 34 56.807 54.058 2.749 1
1 415 . 12 1 1 A 34 34 GLN CB C 34 30.119 32.049 -1.930 1
1 417 . 12 1 1 A 34 34 GLN N N 34 128.123 121.418 6.705 1
1 419 . 12 1 1 A 35 35 ASP H H 35 8.524 8.839 -0.315 1
1 420 . 12 1 1 A 35 35 ASP HA H 35 4.609 4.947 -0.338 1
1 423 . 12 1 1 A 35 35 ASP CA C 35 54.226 54.436 -0.210 1
1 424 . 12 1 1 A 35 35 ASP CB C 35 41.429 43.416 -1.987 1
1 425 . 12 1 1 A 35 35 ASP N N 35 122.485 117.506 4.979 1
1 426 . 12 1 1 A 36 36 GLN H H 36 8.576 8.110 0.466 1
1 427 . 12 1 1 A 36 36 GLN HA H 36 4.041 4.293 -0.252 1
1 434 . 12 1 1 A 36 36 GLN CA C 36 56.662 57.953 -1.291 1
1 435 . 12 1 1 A 36 36 GLN CB C 36 29.166 28.455 0.711 1
1 437 . 12 1 1 A 36 36 GLN N N 36 123.321 118.072 5.249 1
1 439 . 12 1 1 A 37 37 ALA H H 37 8.322 8.646 -0.324 1
1 440 . 12 1 1 A 37 37 ALA HA H 37 4.232 3.978 0.254 1
1 444 . 12 1 1 A 37 37 ALA CA C 37 53.231 55.201 -1.970 1
1 445 . 12 1 1 A 37 37 ALA CB C 37 19.020 18.837 0.183 1
1 446 . 12 1 1 A 37 37 ALA N N 37 123.086 121.864 1.222 1
1 447 . 12 1 1 A 38 38 SER H H 38 7.919 7.730 0.189 1
1 448 . 12 1 1 A 38 38 SER HA H 38 4.283 4.676 -0.393 1
1 451 . 12 1 1 A 38 38 SER CA C 38 58.884 56.425 2.459 1
1 452 . 12 1 1 A 38 38 SER CB C 38 63.835 65.469 -1.634 1
1 453 . 12 1 1 A 38 38 SER N N 38 113.578 110.976 2.602 1
1 454 . 12 1 1 A 39 39 LYS H H 39 8.153 8.541 -0.388 1
1 455 . 12 1 1 A 39 39 LYS HA H 39 4.140 4.459 -0.319 1
1 463 . 12 1 1 A 39 39 LYS CA C 39 57.127 57.204 -0.077 1
1 464 . 12 1 1 A 39 39 LYS CB C 39 32.812 32.414 0.398 1
1 468 . 12 1 1 A 39 39 LYS N N 39 122.651 123.925 -1.274 1
1 469 . 12 1 1 A 40 40 ASP H H 40 8.100 8.154 -0.054 1
1 470 . 12 1 1 A 40 40 ASP HA H 40 4.532 5.001 -0.469 1
1 473 . 12 1 1 A 40 40 ASP CA C 40 54.376 53.075 1.301 1
1 474 . 12 1 1 A 40 40 ASP CB C 40 41.245 41.679 -0.434 1
1 475 . 12 1 1 A 40 40 ASP N N 40 119.441 120.327 -0.886 1
1 476 . 12 1 1 A 41 41 PHE H H 41 7.924 8.016 -0.092 1
1 477 . 12 1 1 A 41 41 PHE HA H 41 4.384 4.498 -0.114 1
1 484 . 12 1 1 A 41 41 PHE CA C 41 58.704 60.231 -1.527 1
1 485 . 12 1 1 A 41 41 PHE CB C 41 39.397 40.507 -1.110 1
1 486 . 12 1 1 A 41 41 PHE N N 41 121.124 119.238 1.886 1
1 487 . 12 1 1 A 42 42 ASN H H 42 8.311 8.535 -0.224 1
1 488 . 12 1 1 A 42 42 ASN HA H 42 4.523 4.876 -0.353 1
1 492 . 12 1 1 A 42 42 ASN CA C 42 53.133 53.924 -0.791 1
1 493 . 12 1 1 A 42 42 ASN CB C 42 38.801 36.263 2.538 1
1 494 . 12 1 1 A 42 42 ASN N N 42 120.181 117.442 2.739 1
1 496 . 12 1 1 A 43 43 ARG H H 43 8.133 8.504 -0.371 1
1 497 . 12 1 1 A 43 43 ARG HA H 43 4.115 4.034 0.081 1
1 504 . 12 1 1 A 43 43 ARG CA C 43 57.051 58.042 -0.991 1
1 505 . 12 1 1 A 43 43 ARG CB C 43 30.514 29.471 1.043 1
1 508 . 12 1 1 A 43 43 ARG N N 43 121.727 116.870 4.857 1
1 509 . 12 1 1 A 44 44 SER H H 44 8.174 8.726 -0.552 1
1 510 . 12 1 1 A 44 44 SER HA H 44 4.286 4.149 0.137 1
1 513 . 12 1 1 A 44 44 SER CA C 44 59.344 58.887 0.457 1
1 514 . 12 1 1 A 44 44 SER CB C 44 63.357 60.867 2.490 1
1 515 . 12 1 1 A 44 44 SER N N 44 115.718 113.177 2.541 1
1 516 . 12 1 1 A 45 45 LYS H H 45 7.963 8.028 -0.065 1
1 517 . 12 1 1 A 45 45 LYS HA H 45 4.123 4.207 -0.084 1
1 526 . 12 1 1 A 45 45 LYS CA C 45 56.866 58.066 -1.200 1
1 527 . 12 1 1 A 45 45 LYS CB C 45 32.777 32.847 -0.070 1
1 530 . 12 1 1 A 45 45 LYS N N 45 122.326 123.985 -1.659 1
1 531 . 12 1 1 A 46 46 ALA H H 46 7.965 7.530 0.435 1
1 532 . 12 1 1 A 46 46 ALA HA H 46 4.165 4.492 -0.327 1
1 536 . 12 1 1 A 46 46 ALA CA C 46 52.999 51.172 1.827 1
1 537 . 12 1 1 A 46 46 ALA CB C 46 18.944 22.952 -4.008 1
1 538 . 12 1 1 A 46 46 ALA N N 46 123.536 118.145 5.391 1
1 539 . 12 1 1 A 47 47 LEU H H 47 7.898 8.433 -0.535 1
1 540 . 12 1 1 A 47 47 LEU HA H 47 4.158 4.458 -0.300 1
1 550 . 12 1 1 A 47 47 LEU CA C 47 55.583 53.665 1.918 1
1 551 . 12 1 1 A 47 47 LEU CB C 47 42.404 41.658 0.746 1
1 555 . 12 1 1 A 47 47 LEU N N 47 119.914 117.405 2.509 1
1 556 . 12 1 1 A 48 48 PHE H H 48 7.981 7.497 0.484 1
1 557 . 12 1 1 A 48 48 PHE HA H 48 4.539 4.088 0.451 1
1 564 . 12 1 1 A 48 48 PHE CA C 48 58.033 58.467 -0.434 1
1 565 . 12 1 1 A 48 48 PHE CB C 48 39.470 36.366 3.104 1
1 566 . 12 1 1 A 48 48 PHE N N 48 119.602 116.729 2.873 1
1 567 . 12 1 1 A 49 49 SER H H 49 8.028 7.826 0.202 1
1 568 . 12 1 1 A 49 49 SER HA H 49 4.332 4.770 -0.438 1
1 571 . 12 1 1 A 49 49 SER CA C 49 58.581 56.170 2.411 1
1 572 . 12 1 1 A 49 49 SER CB C 49 63.866 65.514 -1.648 1
1 573 . 12 1 1 A 49 49 SER N N 49 116.270 113.525 2.745 1
1 574 . 12 1 1 A 50 50 GLN H H 50 8.266 8.795 -0.529 1
1 575 . 12 1 1 A 50 50 GLN HA H 50 4.257 4.071 0.186 1
1 582 . 12 1 1 A 50 50 GLN CA C 50 56.435 58.609 -2.174 1
1 583 . 12 1 1 A 50 50 GLN CB C 50 29.204 28.587 0.617 1
1 585 . 12 1 1 A 50 50 GLN N N 50 121.931 124.150 -2.219 1
1 587 . 12 1 1 A 51 51 SER H H 51 8.147 7.912 0.235 1
1 588 . 12 1 1 A 51 51 SER HA H 51 4.338 4.856 -0.518 1
1 591 . 12 1 1 A 51 51 SER CA C 51 58.645 56.898 1.747 1
1 592 . 12 1 1 A 51 51 SER CB C 51 63.784 63.686 0.098 1
1 593 . 12 1 1 A 51 51 SER N N 51 115.676 113.443 2.233 1
1 594 . 12 1 1 A 52 52 ALA H H 52 8.175 8.234 -0.059 1
1 595 . 12 1 1 A 52 52 ALA HA H 52 4.265 4.111 0.154 1
1 599 . 12 1 1 A 52 52 ALA CA C 52 53.031 55.067 -2.036 1
1 600 . 12 1 1 A 52 52 ALA CB C 52 18.941 19.303 -0.362 1
1 601 . 12 1 1 A 52 52 ALA N N 52 125.360 123.133 2.227 1
1 602 . 12 1 1 A 53 53 ILE H H 53 7.870 7.644 0.226 1
1 603 . 12 1 1 A 53 53 ILE HA H 53 4.099 4.682 -0.583 1
1 613 . 12 1 1 A 53 53 ILE CA C 53 61.558 58.920 2.638 1
1 614 . 12 1 1 A 53 53 ILE CB C 53 38.851 41.248 -2.397 1
1 618 . 12 1 1 A 53 53 ILE N N 53 118.231 113.511 4.720 1
1 619 . 12 1 1 A 54 54 SER H H 54 8.159 8.689 -0.530 1
1 620 . 12 1 1 A 54 54 SER HA H 54 4.384 4.689 -0.305 1
1 623 . 12 1 1 A 54 54 SER CA C 54 58.551 56.991 1.560 1
1 624 . 12 1 1 A 54 54 SER CB C 54 63.964 63.181 0.783 1
1 625 . 12 1 1 A 54 54 SER N N 54 118.588 118.974 -0.386 1
1 626 . 12 1 1 A 55 55 GLN H H 55 8.301 8.742 -0.441 1
1 627 . 12 1 1 A 55 55 GLN HA H 55 4.214 4.155 0.059 1
1 634 . 12 1 1 A 55 55 GLN CA C 55 56.547 59.016 -2.469 1
1 635 . 12 1 1 A 55 55 GLN CB C 55 29.292 28.217 1.075 1
1 637 . 12 1 1 A 55 55 GLN N N 55 122.173 126.939 -4.766 1
1 639 . 12 1 1 A 56 56 LYS H H 56 8.163 7.803 0.360 1
1 640 . 12 1 1 A 56 56 LYS HA H 56 4.177 4.115 0.062 1
1 647 . 12 1 1 A 56 56 LYS CA C 56 56.978 58.885 -1.907 1
1 648 . 12 1 1 A 56 56 LYS CB C 56 32.855 32.371 0.484 1
1 651 . 12 1 1 A 56 56 LYS N N 56 121.126 119.736 1.390 1
1 652 . 12 1 1 A 57 57 GLU H H 57 8.211 8.395 -0.184 1
1 653 . 12 1 1 A 57 57 GLU HA H 57 4.151 4.519 -0.368 1
1 658 . 12 1 1 A 57 57 GLU CA C 57 57.058 56.032 1.026 1
1 659 . 12 1 1 A 57 57 GLU CB C 57 30.211 30.997 -0.786 1
1 661 . 12 1 1 A 57 57 GLU N N 57 120.615 116.604 4.011 1
1 662 . 12 1 1 A 58 58 TYR H H 58 8.070 7.702 0.368 1
1 663 . 12 1 1 A 58 58 TYR HA H 58 4.375 5.160 -0.785 1
1 670 . 12 1 1 A 58 58 TYR CA C 58 58.570 56.735 1.835 1
1 671 . 12 1 1 A 58 58 TYR CB C 58 38.962 43.351 -4.389 1
1 672 . 12 1 1 A 58 58 TYR N N 58 120.822 119.060 1.762 1
1 673 . 12 1 1 A 59 59 ASP H H 59 8.146 9.058 -0.912 1
1 674 . 12 1 1 A 59 59 ASP HA H 59 4.492 5.191 -0.699 1
1 677 . 12 1 1 A 59 59 ASP CA C 59 54.396 52.625 1.771 1
1 678 . 12 1 1 A 59 59 ASP CB C 59 41.086 44.280 -3.194 1
1 679 . 12 1 1 A 59 59 ASP N N 59 122.551 122.459 0.092 1
1 680 . 12 1 1 A 60 60 SER H H 60 8.253 9.019 -0.766 1
1 681 . 12 1 1 A 60 60 SER HA H 60 4.260 4.512 -0.252 1
1 684 . 12 1 1 A 60 60 SER CA C 60 59.533 60.390 -0.857 1
1 685 . 12 1 1 A 60 60 SER CB C 60 63.422 63.779 -0.357 1
1 686 . 12 1 1 A 60 60 SER N N 60 117.657 117.367 0.290 1
1 687 . 12 1 1 A 61 61 SER H H 61 8.344 8.290 0.054 1
1 688 . 12 1 1 A 61 61 SER HA H 61 4.307 4.278 0.029 1
1 691 . 12 1 1 A 61 61 SER CA C 61 59.755 62.008 -2.253 1
1 692 . 12 1 1 A 61 61 SER CB C 61 63.582 62.501 1.081 1
1 693 . 12 1 1 A 61 61 SER N N 61 118.129 116.142 1.987 1
1 694 . 12 1 1 A 62 62 LEU H H 62 7.759 7.715 0.044 1
1 695 . 12 1 1 A 62 62 LEU HA H 62 4.234 4.412 -0.178 1
1 705 . 12 1 1 A 62 62 LEU CA C 62 55.464 55.684 -0.220 1
1 706 . 12 1 1 A 62 62 LEU CB C 62 42.238 42.584 -0.346 1
1 710 . 12 1 1 A 62 62 LEU N N 62 122.627 117.203 5.424 1
1 711 . 12 1 1 A 63 63 ALA H H 63 7.919 7.463 0.456 1
1 712 . 12 1 1 A 63 63 ALA HA H 63 4.276 4.577 -0.301 1
1 716 . 12 1 1 A 63 63 ALA CA C 63 52.922 50.701 2.221 1
1 717 . 12 1 1 A 63 63 ALA CB C 63 19.221 19.833 -0.612 1
1 718 . 12 1 1 A 63 63 ALA N N 63 123.444 122.553 0.891 1
1 719 . 12 1 1 A 64 64 THR H H 64 7.890 8.909 -1.019 1
1 720 . 12 1 1 A 64 64 THR HA H 64 4.217 4.957 -0.740 1
1 725 . 12 1 1 A 64 64 THR CA C 64 61.787 60.069 1.718 1
1 726 . 12 1 1 A 64 64 THR CB C 64 69.719 72.227 -2.508 1
1 728 . 12 1 1 A 64 64 THR N N 64 112.279 113.972 -1.693 1
1 729 . 12 1 1 A 65 65 LEU H H 65 8.009 8.436 -0.427 1
1 730 . 12 1 1 A 65 65 LEU HA H 65 4.295 4.698 -0.403 1
1 740 . 12 1 1 A 65 65 LEU CA C 65 55.345 54.215 1.130 1
1 741 . 12 1 1 A 65 65 LEU CB C 65 42.412 42.987 -0.575 1
1 745 . 12 1 1 A 65 65 LEU N N 65 123.586 119.966 3.620 1
1 746 . 12 1 1 A 66 66 ASP H H 66 8.288 7.915 0.373 1
1 747 . 12 1 1 A 66 66 ASP HA H 66 4.564 4.417 0.147 1
1 750 . 12 1 1 A 66 66 ASP CA C 66 54.676 54.848 -0.172 1
1 751 . 12 1 1 A 66 66 ASP CB C 66 41.376 39.640 1.736 1
1 752 . 12 1 1 A 66 66 ASP N N 66 120.344 117.708 2.636 1
1 753 . 12 1 1 A 67 67 HIS H H 67 8.058 8.686 -0.628 1
1 754 . 12 1 1 A 67 67 HIS HA H 67 5.247 5.087 0.160 1
1 758 . 12 1 1 A 67 67 HIS CA C 67 55.260 54.682 0.578 1
1 759 . 12 1 1 A 67 67 HIS CB C 67 31.974 32.857 -0.883 1
1 760 . 12 1 1 A 67 67 HIS N N 67 119.406 120.767 -1.361 1
1 761 . 12 1 1 A 68 68 THR H H 68 8.919 8.999 -0.080 1
1 762 . 12 1 1 A 68 68 THR HA H 68 4.484 4.719 -0.235 1
1 767 . 12 1 1 A 68 68 THR CA C 68 62.542 61.950 0.592 1
1 768 . 12 1 1 A 68 68 THR CB C 68 71.067 69.378 1.689 1
1 770 . 12 1 1 A 68 68 THR N N 68 117.233 117.315 -0.082 1
1 771 . 12 1 1 A 69 69 GLU H H 69 8.649 8.850 -0.201 1
1 772 . 12 1 1 A 69 69 GLU HA H 69 4.703 4.567 0.136 1
1 777 . 12 1 1 A 69 69 GLU CA C 69 55.886 56.807 -0.921 1
1 778 . 12 1 1 A 69 69 GLU CB C 69 31.746 30.189 1.557 1
1 780 . 12 1 1 A 69 69 GLU N N 69 124.187 126.928 -2.741 1
1 781 . 12 1 1 A 70 70 ILE H H 70 8.601 9.013 -0.412 1
1 782 . 12 1 1 A 70 70 ILE HA H 70 4.405 4.393 0.012 1
1 792 . 12 1 1 A 70 70 ILE CA C 70 59.234 61.246 -2.012 1
1 793 . 12 1 1 A 70 70 ILE CB C 70 37.318 36.715 0.603 1
1 797 . 12 1 1 A 70 70 ILE N N 70 123.482 127.065 -3.583 1
1 798 . 12 1 1 A 71 71 LYS H H 71 8.926 8.229 0.697 1
1 799 . 12 1 1 A 71 71 LYS HA H 71 5.078 4.799 0.279 1
1 806 . 12 1 1 A 71 71 LYS CA C 71 54.584 54.270 0.314 1
1 807 . 12 1 1 A 71 71 LYS CB C 71 36.281 33.974 2.307 1
1 810 . 12 1 1 A 71 71 LYS N N 71 128.267 127.257 1.010 1
1 811 . 12 1 1 A 72 72 ALA H H 72 8.633 8.542 0.091 1
1 812 . 12 1 1 A 72 72 ALA HA H 72 4.067 4.467 -0.400 1
1 816 . 12 1 1 A 72 72 ALA CA C 72 49.967 50.653 -0.686 1
1 817 . 12 1 1 A 72 72 ALA CB C 72 17.255 17.847 -0.592 1
1 818 . 12 1 1 A 72 72 ALA N N 72 123.088 124.251 -1.163 1
1 819 . 12 1 1 A 73 73 PRO HA H 73 4.333 4.198 0.135 1
1 826 . 12 1 1 A 73 73 PRO CA C 73 63.716 63.916 -0.200 1
1 827 . 12 1 1 A 73 73 PRO CB C 73 31.915 31.444 0.471 1
1 830 . 12 1 1 A 74 74 PHE H H 74 6.768 7.069 -0.301 1
1 831 . 12 1 1 A 74 74 PHE HA H 74 4.421 4.855 -0.434 1
1 838 . 12 1 1 A 74 74 PHE CA C 74 54.396 56.567 -2.171 1
1 839 . 12 1 1 A 74 74 PHE CB C 74 40.697 40.165 0.532 1
1 840 . 12 1 1 A 74 74 PHE N N 74 112.022 112.300 -0.278 1
1 841 . 12 1 1 A 75 75 ASP H H 75 8.583 8.775 -0.192 1
1 842 . 12 1 1 A 75 75 ASP HA H 75 4.922 4.626 0.296 1
1 845 . 12 1 1 A 75 75 ASP CA C 75 53.873 54.677 -0.804 1
1 846 . 12 1 1 A 75 75 ASP CB C 75 40.839 41.391 -0.552 1
1 847 . 12 1 1 A 75 75 ASP N N 75 118.252 120.322 -2.070 1
1 848 . 12 1 1 A 76 76 GLY H H 76 8.348 8.155 0.193 1
1 849 . 12 1 1 A 76 76 GLY HA2 H 76 4.236 4.298 -0.062 1
1 850 . 12 1 1 A 76 76 GLY HA3 H 76 4.075 4.339 -0.264 1
1 851 . 12 1 1 A 76 76 GLY CA C 76 46.639 46.085 0.554 1
1 852 . 12 1 1 A 76 76 GLY N N 76 108.729 107.044 1.685 1
1 853 . 12 1 1 A 77 77 THR H H 77 8.623 8.334 0.289 1
1 854 . 12 1 1 A 77 77 THR HA H 77 4.975 5.080 -0.105 1
1 859 . 12 1 1 A 77 77 THR CA C 77 61.752 61.175 0.577 1
1 860 . 12 1 1 A 77 77 THR CB C 77 70.121 70.764 -0.643 1
1 862 . 12 1 1 A 77 77 THR N N 77 116.400 116.384 0.016 1
1 863 . 12 1 1 A 78 78 ILE H H 78 8.824 8.802 0.022 1
1 864 . 12 1 1 A 78 78 ILE HA H 78 4.673 4.741 -0.068 1
1 874 . 12 1 1 A 78 78 ILE CA C 78 60.164 60.244 -0.080 1
1 875 . 12 1 1 A 78 78 ILE CB C 78 42.973 40.369 2.604 1
1 879 . 12 1 1 A 78 78 ILE N N 78 129.310 129.742 -0.432 1
1 880 . 12 1 1 A 79 79 GLY H H 79 8.060 8.486 -0.426 1
1 881 . 12 1 1 A 79 79 GLY HA2 H 79 4.404 4.192 0.212 1
1 882 . 12 1 1 A 79 79 GLY HA3 H 79 3.775 4.207 -0.432 1
1 883 . 12 1 1 A 79 79 GLY CA C 79 44.149 44.114 0.035 1
1 884 . 12 1 1 A 79 79 GLY N N 79 114.539 115.685 -1.146 1
1 885 . 12 1 1 A 80 80 ASP H H 80 7.804 8.445 -0.641 1
1 886 . 12 1 1 A 80 80 ASP HA H 80 4.703 5.014 -0.311 1
1 889 . 12 1 1 A 80 80 ASP CA C 80 53.703 54.325 -0.622 1
1 890 . 12 1 1 A 80 80 ASP CB C 80 41.918 42.349 -0.431 1
1 891 . 12 1 1 A 80 80 ASP N N 80 113.688 120.866 -7.178 1
1 892 . 12 1 1 A 81 81 ALA H H 81 8.566 9.208 -0.642 1
1 893 . 12 1 1 A 81 81 ALA HA H 81 4.571 4.808 -0.237 1
1 897 . 12 1 1 A 81 81 ALA CA C 81 53.312 52.307 1.005 1
1 898 . 12 1 1 A 81 81 ALA CB C 81 20.381 20.231 0.150 1
1 899 . 12 1 1 A 81 81 ALA N N 81 124.136 126.745 -2.609 1
1 900 . 12 1 1 A 82 82 LEU H H 82 8.747 8.385 0.362 1
1 901 . 12 1 1 A 82 82 LEU HA H 82 4.345 4.692 -0.347 1
1 910 . 12 1 1 A 82 82 LEU CA C 82 55.210 54.305 0.905 1
1 911 . 12 1 1 A 82 82 LEU CB C 82 41.457 43.635 -2.178 1
1 914 . 12 1 1 A 82 82 LEU N N 82 121.773 117.534 4.239 1
1 915 . 12 1 1 A 83 83 VAL H H 83 7.141 7.392 -0.251 1
1 916 . 12 1 1 A 83 83 VAL HA H 83 4.496 4.911 -0.415 1
1 924 . 12 1 1 A 83 83 VAL CA C 83 58.502 58.962 -0.460 1
1 925 . 12 1 1 A 83 83 VAL CB C 83 35.229 35.611 -0.382 1
1 928 . 12 1 1 A 83 83 VAL N N 83 108.169 115.527 -7.358 1
1 929 . 12 1 1 A 84 84 ASN H H 84 9.076 8.790 0.286 1
1 930 . 12 1 1 A 84 84 ASN HA H 84 4.887 5.242 -0.355 1
1 935 . 12 1 1 A 84 84 ASN CA C 84 51.248 51.567 -0.319 1
1 936 . 12 1 1 A 84 84 ASN CB C 84 41.989 42.213 -0.224 1
1 937 . 12 1 1 A 84 84 ASN N N 84 119.502 118.587 0.915 1
1 939 . 12 1 1 A 85 85 ILE H H 85 8.404 8.464 -0.060 1
1 940 . 12 1 1 A 85 85 ILE HA H 85 3.393 4.010 -0.617 1
1 950 . 12 1 1 A 85 85 ILE CA C 85 63.873 62.893 0.980 1
1 951 . 12 1 1 A 85 85 ILE CB C 85 37.146 38.723 -1.577 1
1 955 . 12 1 1 A 85 85 ILE N N 85 119.409 121.247 -1.838 1
1 956 . 12 1 1 A 86 86 GLY H H 86 9.239 8.646 0.593 1
1 957 . 12 1 1 A 86 86 GLY HA2 H 86 4.401 3.890 0.511 1
1 958 . 12 1 1 A 86 86 GLY HA3 H 86 3.411 3.894 -0.483 1
1 959 . 12 1 1 A 86 86 GLY CA C 86 44.869 46.084 -1.215 1
1 960 . 12 1 1 A 86 86 GLY N N 86 117.321 114.886 2.435 1
1 961 . 12 1 1 A 87 87 ASP H H 87 7.968 8.170 -0.202 1
1 962 . 12 1 1 A 87 87 ASP HA H 87 4.607 4.892 -0.285 1
1 965 . 12 1 1 A 87 87 ASP CA C 87 54.886 53.268 1.618 1
1 966 . 12 1 1 A 87 87 ASP CB C 87 40.771 42.610 -1.839 1
1 967 . 12 1 1 A 87 87 ASP N N 87 121.490 121.066 0.424 1
1 968 . 12 1 1 A 88 88 TYR H H 88 8.566 8.951 -0.385 1
1 969 . 12 1 1 A 88 88 TYR HA H 88 4.712 4.599 0.113 1
1 976 . 12 1 1 A 88 88 TYR CA C 88 57.826 59.663 -1.837 1
1 977 . 12 1 1 A 88 88 TYR CB C 88 39.243 39.263 -0.020 1
1 978 . 12 1 1 A 88 88 TYR N N 88 122.340 125.922 -3.582 1
1 979 . 12 1 1 A 89 89 VAL H H 89 8.951 7.739 1.212 1
1 980 . 12 1 1 A 89 89 VAL HA H 89 4.578 4.624 -0.046 1
1 988 . 12 1 1 A 89 89 VAL CA C 89 58.339 59.240 -0.901 1
1 989 . 12 1 1 A 89 89 VAL CB C 89 34.321 35.699 -1.378 1
1 992 . 12 1 1 A 89 89 VAL N N 89 121.914 121.104 0.810 1
1 993 . 12 1 1 A 90 90 SER H H 90 8.777 9.142 -0.365 1
1 994 . 12 1 1 A 90 90 SER HA H 90 4.750 4.437 0.313 1
1 997 . 12 1 1 A 90 90 SER CA C 90 56.895 56.819 0.076 1
1 998 . 12 1 1 A 90 90 SER CB C 90 64.866 65.295 -0.429 1
1 999 . 12 1 1 A 90 90 SER N N 90 114.813 118.932 -4.119 1
1 1000 . 12 1 1 A 91 91 ALA H H 91 8.712 8.863 -0.151 1
1 1001 . 12 1 1 A 91 91 ALA HA H 91 3.515 4.297 -0.782 1
1 1005 . 12 1 1 A 91 91 ALA CA C 91 53.317 54.836 -1.519 1
1 1006 . 12 1 1 A 91 91 ALA CB C 91 18.678 18.962 -0.284 1
1 1007 . 12 1 1 A 91 91 ALA N N 91 129.870 125.292 4.578 1
1 1008 . 12 1 1 A 92 92 SER H H 92 9.170 7.991 1.179 1
1 1009 . 12 1 1 A 92 92 SER HA H 92 3.817 4.413 -0.596 1
1 1012 . 12 1 1 A 92 92 SER CA C 92 60.652 58.986 1.666 1
1 1013 . 12 1 1 A 92 92 SER CB C 92 62.505 63.993 -1.488 1
1 1014 . 12 1 1 A 92 92 SER N N 92 113.294 111.828 1.466 1
1 1015 . 12 1 1 A 93 93 THR H H 93 7.816 7.594 0.222 1
1 1016 . 12 1 1 A 93 93 THR HA H 93 4.402 4.225 0.177 1
1 1021 . 12 1 1 A 93 93 THR CA C 93 64.378 63.917 0.461 1
1 1022 . 12 1 1 A 93 93 THR CB C 93 70.948 69.422 1.526 1
1 1024 . 12 1 1 A 93 93 THR N N 93 113.858 114.661 -0.803 1
1 1025 . 12 1 1 A 94 94 THR H H 94 7.702 7.662 0.040 1
1 1026 . 12 1 1 A 94 94 THR HA H 94 3.910 4.317 -0.407 1
1 1031 . 12 1 1 A 94 94 THR CA C 94 65.140 62.016 3.124 1
1 1032 . 12 1 1 A 94 94 THR CB C 94 70.001 68.825 1.176 1
1 1034 . 12 1 1 A 94 94 THR N N 94 119.588 114.753 4.835 1
1 1035 . 12 1 1 A 95 95 GLU H H 95 8.407 8.605 -0.198 1
1 1036 . 12 1 1 A 95 95 GLU HA H 95 3.801 4.477 -0.676 1
1 1041 . 12 1 1 A 95 95 GLU CA C 95 56.613 54.872 1.741 1
1 1042 . 12 1 1 A 95 95 GLU CB C 95 29.600 28.068 1.532 1
1 1044 . 12 1 1 A 95 95 GLU N N 95 124.764 127.741 -2.977 1
1 1045 . 12 1 1 A 96 96 LEU H H 96 8.750 7.899 0.851 1
1 1046 . 12 1 1 A 96 96 LEU HA H 96 4.260 3.900 0.360 1
1 1056 . 12 1 1 A 96 96 LEU CA C 96 56.927 57.046 -0.119 1
1 1057 . 12 1 1 A 96 96 LEU CB C 96 43.310 41.485 1.825 1
1 1061 . 12 1 1 A 96 96 LEU N N 96 120.035 121.082 -1.047 1
1 1062 . 12 1 1 A 97 97 VAL H H 97 7.053 7.212 -0.159 1
1 1063 . 12 1 1 A 97 97 VAL HA H 97 4.345 4.264 0.081 1
1 1071 . 12 1 1 A 97 97 VAL CA C 97 61.291 60.866 0.425 1
1 1072 . 12 1 1 A 97 97 VAL CB C 97 31.577 34.598 -3.021 1
1 1075 . 12 1 1 A 97 97 VAL N N 97 112.365 116.960 -4.595 1
1 1076 . 12 1 1 A 98 98 ARG H H 98 8.980 8.626 0.354 1
1 1077 . 12 1 1 A 98 98 ARG HA H 98 5.267 5.046 0.221 1
1 1084 . 12 1 1 A 98 98 ARG CA C 98 55.195 54.496 0.699 1
1 1085 . 12 1 1 A 98 98 ARG CB C 98 32.818 33.593 -0.775 1
1 1088 . 12 1 1 A 98 98 ARG N N 98 127.477 124.786 2.691 1
1 1089 . 12 1 1 A 99 99 VAL H H 99 8.887 8.638 0.249 1
1 1090 . 12 1 1 A 99 99 VAL HA H 99 4.556 5.023 -0.467 1
1 1095 . 12 1 1 A 99 99 VAL CA C 99 60.968 61.344 -0.376 1
1 1096 . 12 1 1 A 99 99 VAL CB C 99 34.186 34.482 -0.296 1
1 1098 . 12 1 1 A 99 99 VAL N N 99 122.826 121.955 0.871 1
1 1099 . 12 1 1 A 100 100 THR H H 100 8.833 9.219 -0.386 1
1 1100 . 12 1 1 A 100 100 THR HA H 100 4.559 4.916 -0.357 1
1 1105 . 12 1 1 A 100 100 THR CA C 100 61.080 59.477 1.603 1
1 1106 . 12 1 1 A 100 100 THR CB C 100 70.669 72.138 -1.469 1
1 1108 . 12 1 1 A 100 100 THR N N 100 121.816 120.267 1.549 1
1 1109 . 12 1 1 A 101 101 ASN H H 101 8.153 8.657 -0.504 1
1 1110 . 12 1 1 A 101 101 ASN HA H 101 4.518 4.288 0.230 1
1 1115 . 12 1 1 A 101 101 ASN CA C 101 54.238 53.947 0.291 1
1 1116 . 12 1 1 A 101 101 ASN CB C 101 38.470 36.991 1.479 1
1 1117 . 12 1 1 A 101 101 ASN N N 101 122.733 124.541 -1.808 1
1 1119 . 12 1 1 A 102 102 LEU H H 102 8.160 7.733 0.427 1
1 1120 . 12 1 1 A 102 102 LEU HA H 102 4.245 4.717 -0.472 1
1 1130 . 12 1 1 A 102 102 LEU CA C 102 55.449 53.414 2.035 1
1 1131 . 12 1 1 A 102 102 LEU CB C 102 42.549 46.279 -3.730 1
1 1135 . 12 1 1 A 102 102 LEU N N 102 122.544 120.566 1.978 1
1 1136 . 12 1 1 A 103 103 ASN H H 103 8.405 8.455 -0.050 1
1 1137 . 12 1 1 A 103 103 ASN HA H 103 4.867 4.877 -0.010 1
1 1142 . 12 1 1 A 103 103 ASN CA C 103 51.316 51.792 -0.476 1
1 1143 . 12 1 1 A 103 103 ASN CB C 103 39.049 37.313 1.736 1
1 1144 . 12 1 1 A 103 103 ASN N N 103 120.174 121.381 -1.207 1
1 1146 . 12 1 1 A 104 104 PRO HA H 104 4.230 4.654 -0.424 1
1 1153 . 12 1 1 A 104 104 PRO CA C 104 63.559 62.352 1.207 1
1 1154 . 12 1 1 A 104 104 PRO CB C 104 32.102 30.393 1.709 1
1 1157 . 12 1 1 A 105 105 ILE H H 105 7.886 7.923 -0.037 1
1 1158 . 12 1 1 A 105 105 ILE HA H 105 3.941 3.964 -0.023 1
1 1168 . 12 1 1 A 105 105 ILE CA C 105 61.348 60.980 0.368 1
1 1169 . 12 1 1 A 105 105 ILE CB C 105 38.569 38.413 0.156 1
1 1173 . 12 1 1 A 105 105 ILE N N 105 119.390 123.353 -3.963 1
1 1174 . 12 1 1 A 106 106 TYR H H 106 7.961 8.106 -0.145 1
1 1175 . 12 1 1 A 106 106 TYR HA H 106 4.536 4.875 -0.339 1
1 1182 . 12 1 1 A 106 106 TYR CA C 106 57.370 56.932 0.438 1
1 1183 . 12 1 1 A 106 106 TYR CB C 106 38.889 39.293 -0.404 1
1 1184 . 12 1 1 A 106 106 TYR N N 106 123.172 121.024 2.148 1
1 1185 . 12 1 1 A 107 107 ALA H H 107 8.128 7.540 0.588 1
1 1186 . 12 1 1 A 107 107 ALA HA H 107 4.217 4.520 -0.303 1
1 1190 . 12 1 1 A 107 107 ALA CA C 107 52.724 51.222 1.502 1
1 1191 . 12 1 1 A 107 107 ALA CB C 107 19.133 21.586 -2.453 1
1 1192 . 12 1 1 A 107 107 ALA N N 107 125.520 120.157 5.363 1
1 1193 . 12 1 1 A 108 108 ASP H H 108 8.147 9.324 -1.177 1
1 1194 . 12 1 1 A 108 108 ASP HA H 108 4.511 4.253 0.258 1
1 1197 . 12 1 1 A 108 108 ASP CA C 108 54.342 54.911 -0.569 1
1 1198 . 12 1 1 A 108 108 ASP CB C 108 41.240 39.657 1.583 1
1 1199 . 12 1 1 A 108 108 ASP N N 108 119.219 120.255 -1.036 1
1 1200 . 12 1 1 A 109 109 GLY H H 109 8.313 8.113 0.200 1
1 1201 . 12 1 1 A 109 109 GLY HA2 H 109 3.946 4.182 -0.236 1
1 1202 . 12 1 1 A 109 109 GLY HA3 H 109 3.848 4.191 -0.343 1
1 1203 . 12 1 1 A 109 109 GLY CA C 109 45.692 45.655 0.037 1
1 1204 . 12 1 1 A 109 109 GLY N N 109 109.478 112.792 -3.314 1
1 1205 . 12 1 1 A 110 110 SER H H 110 8.175 8.573 -0.398 1
1 1206 . 12 1 1 A 110 110 SER HA H 110 4.286 4.079 0.207 1
1 1209 . 12 1 1 A 110 110 SER CA C 110 59.296 62.572 -3.276 1
1 1210 . 12 1 1 A 110 110 SER CB C 110 63.825 62.958 0.867 1
1 1211 . 12 1 1 A 110 110 SER N N 110 115.660 115.978 -0.318 1
1 1212 . 12 1 1 A 111 111 HIS HA H 111 4.527 4.279 0.248 1
1 1215 . 12 1 1 A 111 111 HIS CA C 111 56.109 56.953 -0.844 1
1 1216 . 12 1 1 A 111 111 HIS CB C 111 30.580 28.244 2.336 1
1 1217 . 12 1 1 A 112 112 HIS HA H 112 4.535 5.261 -0.726 1
1 1220 . 12 1 1 A 112 112 HIS CA C 112 57.411 53.972 3.439 1
1 1221 . 12 1 1 A 112 112 HIS CB C 112 30.756 32.748 -1.992 1
1 2 . 13 1 1 A 2 2 VAL H H 2 8.613 8.601 0.012 1
1 3 . 13 1 1 A 2 2 VAL HA H 2 4.487 4.857 -0.370 1
1 11 . 13 1 1 A 2 2 VAL CA C 2 61.103 60.473 0.630 1
1 12 . 13 1 1 A 2 2 VAL CB C 2 35.731 36.117 -0.386 1
1 15 . 13 1 1 A 2 2 VAL N N 2 117.956 123.692 -5.736 1
1 16 . 13 1 1 A 3 3 ILE H H 3 8.439 8.843 -0.404 1
1 17 . 13 1 1 A 3 3 ILE HA H 3 4.498 4.713 -0.215 1
1 27 . 13 1 1 A 3 3 ILE CA C 3 60.172 59.847 0.325 1
1 28 . 13 1 1 A 3 3 ILE CB C 3 38.528 39.137 -0.609 1
1 32 . 13 1 1 A 3 3 ILE N N 3 125.643 127.096 -1.453 1
1 33 . 13 1 1 A 4 4 ILE H H 4 8.543 8.576 -0.033 1
1 34 . 13 1 1 A 4 4 ILE HA H 4 4.005 3.929 0.076 1
1 44 . 13 1 1 A 4 4 ILE CA C 4 61.550 62.318 -0.768 1
1 45 . 13 1 1 A 4 4 ILE CB C 4 38.038 38.062 -0.024 1
1 49 . 13 1 1 A 4 4 ILE N N 4 127.460 127.929 -0.469 1
1 50 . 13 1 1 A 5 5 LYS H H 5 8.292 8.364 -0.072 1
1 51 . 13 1 1 A 5 5 LYS HA H 5 5.173 4.652 0.521 1
1 60 . 13 1 1 A 5 5 LYS CA C 5 53.276 53.216 0.060 1
1 61 . 13 1 1 A 5 5 LYS CB C 5 33.713 33.294 0.419 1
1 65 . 13 1 1 A 5 5 LYS N N 5 126.677 126.761 -0.084 1
1 66 . 13 1 1 A 6 6 PRO HA H 6 4.383 4.329 0.054 1
1 73 . 13 1 1 A 6 6 PRO CA C 6 62.444 63.822 -1.378 1
1 74 . 13 1 1 A 6 6 PRO CB C 6 32.018 31.997 0.021 1
1 77 . 13 1 1 A 7 7 GLN H H 7 9.359 8.066 1.293 1
1 78 . 13 1 1 A 7 7 GLN HA H 7 4.406 4.225 0.181 1
1 85 . 13 1 1 A 7 7 GLN CA C 7 56.357 57.752 -1.395 1
1 86 . 13 1 1 A 7 7 GLN CB C 7 28.784 28.504 0.280 1
1 88 . 13 1 1 A 7 7 GLN N N 7 119.975 118.895 1.080 1
1 90 . 13 1 1 A 8 8 VAL H H 8 7.032 7.859 -0.827 1
1 91 . 13 1 1 A 8 8 VAL HA H 8 4.486 4.826 -0.340 1
1 99 . 13 1 1 A 8 8 VAL CA C 8 58.874 58.887 -0.013 1
1 100 . 13 1 1 A 8 8 VAL CB C 8 35.169 35.606 -0.437 1
1 103 . 13 1 1 A 8 8 VAL N N 8 111.122 114.255 -3.133 1
1 104 . 13 1 1 A 9 9 SER H H 9 8.210 8.479 -0.269 1
1 105 . 13 1 1 A 9 9 SER HA H 9 4.957 4.950 0.007 1
1 108 . 13 1 1 A 9 9 SER CA C 9 56.585 58.132 -1.547 1
1 109 . 13 1 1 A 9 9 SER CB C 9 64.442 63.709 0.733 1
1 110 . 13 1 1 A 9 9 SER N N 9 115.043 119.211 -4.168 1
1 111 . 13 1 1 A 10 10 GLY H H 10 8.003 8.090 -0.087 1
1 112 . 13 1 1 A 10 10 GLY HA2 H 10 4.412 4.319 0.093 1
1 113 . 13 1 1 A 10 10 GLY HA3 H 10 3.645 4.363 -0.718 1
1 114 . 13 1 1 A 10 10 GLY CA C 10 45.292 46.182 -0.890 1
1 115 . 13 1 1 A 10 10 GLY N N 10 108.708 111.982 -3.274 1
1 116 . 13 1 1 A 11 11 VAL H H 11 8.006 8.498 -0.492 1
1 117 . 13 1 1 A 11 11 VAL HA H 11 4.743 5.448 -0.705 1
1 125 . 13 1 1 A 11 11 VAL CA C 11 60.539 59.324 1.215 1
1 126 . 13 1 1 A 11 11 VAL CB C 11 34.951 35.804 -0.853 1
1 129 . 13 1 1 A 11 11 VAL N N 11 118.308 119.182 -0.874 1
1 130 . 13 1 1 A 12 12 ILE H H 12 8.459 9.119 -0.660 1
1 131 . 13 1 1 A 12 12 ILE HA H 12 4.050 4.390 -0.340 1
1 141 . 13 1 1 A 12 12 ILE CA C 12 60.287 62.353 -2.066 1
1 142 . 13 1 1 A 12 12 ILE CB C 12 35.650 38.185 -2.535 1
1 146 . 13 1 1 A 12 12 ILE N N 12 125.265 125.314 -0.049 1
1 147 . 13 1 1 A 13 13 VAL H H 13 8.908 9.466 -0.558 1
1 148 . 13 1 1 A 13 13 VAL HA H 13 4.500 4.316 0.184 1
1 156 . 13 1 1 A 13 13 VAL CA C 13 62.126 63.332 -1.206 1
1 157 . 13 1 1 A 13 13 VAL CB C 13 33.291 33.735 -0.444 1
1 160 . 13 1 1 A 13 13 VAL N N 13 124.479 126.325 -1.846 1
1 161 . 13 1 1 A 14 14 ASN H H 14 7.653 7.652 0.001 1
1 162 . 13 1 1 A 14 14 ASN HA H 14 4.819 5.107 -0.288 1
1 167 . 13 1 1 A 14 14 ASN CA C 14 52.806 52.879 -0.073 1
1 168 . 13 1 1 A 14 14 ASN CB C 14 41.978 41.689 0.289 1
1 169 . 13 1 1 A 14 14 ASN N N 14 114.961 115.072 -0.111 1
1 171 . 13 1 1 A 15 15 LYS H H 15 8.404 8.752 -0.348 1
1 172 . 13 1 1 A 15 15 LYS HA H 15 4.641 5.208 -0.567 1
1 179 . 13 1 1 A 15 15 LYS CA C 15 55.935 54.943 0.992 1
1 180 . 13 1 1 A 15 15 LYS CB C 15 35.274 33.929 1.345 1
1 183 . 13 1 1 A 15 15 LYS N N 15 123.768 120.189 3.579 1
1 184 . 13 1 1 A 16 16 LEU H H 16 8.020 8.650 -0.630 1
1 185 . 13 1 1 A 16 16 LEU HA H 16 4.611 4.418 0.193 1
1 195 . 13 1 1 A 16 16 LEU CA C 16 55.124 54.331 0.793 1
1 196 . 13 1 1 A 16 16 LEU CB C 16 41.308 39.697 1.611 1
1 200 . 13 1 1 A 16 16 LEU N N 16 126.162 126.917 -0.755 1
1 201 . 13 1 1 A 17 17 PHE H H 17 6.573 7.631 -1.058 1
1 202 . 13 1 1 A 17 17 PHE HA H 17 4.862 5.212 -0.350 1
1 207 . 13 1 1 A 17 17 PHE CA C 17 55.528 55.188 0.340 1
1 208 . 13 1 1 A 17 17 PHE CB C 17 41.093 42.109 -1.016 1
1 209 . 13 1 1 A 17 17 PHE N N 17 113.628 115.697 -2.069 1
1 210 . 13 1 1 A 18 18 LYS H H 18 8.655 8.597 0.058 1
1 211 . 13 1 1 A 18 18 LYS HA H 18 4.333 4.583 -0.250 1
1 220 . 13 1 1 A 18 18 LYS CA C 18 54.277 54.125 0.152 1
1 221 . 13 1 1 A 18 18 LYS CB C 18 35.134 35.413 -0.279 1
1 225 . 13 1 1 A 18 18 LYS N N 18 120.572 119.244 1.328 1
1 226 . 13 1 1 A 19 19 ALA H H 19 8.407 8.387 0.020 1
1 227 . 13 1 1 A 19 19 ALA HA H 19 3.962 4.792 -0.830 1
1 231 . 13 1 1 A 19 19 ALA CA C 19 53.980 52.692 1.288 1
1 232 . 13 1 1 A 19 19 ALA CB C 19 18.497 19.266 -0.769 1
1 233 . 13 1 1 A 19 19 ALA N N 19 123.842 124.600 -0.758 1
1 234 . 13 1 1 A 20 20 GLY H H 20 8.814 8.650 0.164 1
1 235 . 13 1 1 A 20 20 GLY HA2 H 20 4.313 3.929 0.384 1
1 236 . 13 1 1 A 20 20 GLY HA3 H 20 3.532 3.947 -0.415 1
1 237 . 13 1 1 A 20 20 GLY CA C 20 45.045 45.736 -0.691 1
1 238 . 13 1 1 A 20 20 GLY N N 20 112.434 111.503 0.931 1
1 239 . 13 1 1 A 21 21 ASP H H 21 7.933 8.034 -0.101 1
1 240 . 13 1 1 A 21 21 ASP HA H 21 4.499 4.990 -0.491 1
1 243 . 13 1 1 A 21 21 ASP CA C 21 55.383 53.630 1.753 1
1 244 . 13 1 1 A 21 21 ASP CB C 21 41.067 42.956 -1.889 1
1 245 . 13 1 1 A 21 21 ASP N N 21 121.505 120.751 0.754 1
1 246 . 13 1 1 A 22 22 LYS H H 22 8.311 8.345 -0.034 1
1 247 . 13 1 1 A 22 22 LYS HA H 22 4.871 5.034 -0.163 1
1 256 . 13 1 1 A 22 22 LYS CA C 22 55.659 55.193 0.466 1
1 257 . 13 1 1 A 22 22 LYS CB C 22 31.820 34.996 -3.176 1
1 261 . 13 1 1 A 22 22 LYS N N 22 120.225 119.947 0.278 1
1 262 . 13 1 1 A 23 23 VAL H H 23 8.935 8.709 0.226 1
1 263 . 13 1 1 A 23 23 VAL HA H 23 4.841 4.940 -0.099 1
1 271 . 13 1 1 A 23 23 VAL CA C 23 58.502 58.756 -0.254 1
1 272 . 13 1 1 A 23 23 VAL CB C 23 34.507 35.696 -1.189 1
1 275 . 13 1 1 A 23 23 VAL N N 23 117.700 118.120 -0.420 1
1 276 . 13 1 1 A 24 24 LYS H H 24 7.960 8.848 -0.888 1
1 277 . 13 1 1 A 24 24 LYS HA H 24 4.838 5.038 -0.200 1
1 286 . 13 1 1 A 24 24 LYS CA C 24 53.195 54.606 -1.411 1
1 287 . 13 1 1 A 24 24 LYS CB C 24 35.213 35.260 -0.047 1
1 291 . 13 1 1 A 24 24 LYS N N 24 121.958 121.444 0.514 1
1 292 . 13 1 1 A 25 25 LYS H H 25 8.915 8.480 0.435 1
1 293 . 13 1 1 A 25 25 LYS HA H 25 3.156 4.160 -1.004 1
1 300 . 13 1 1 A 25 25 LYS CA C 25 58.648 57.086 1.562 1
1 301 . 13 1 1 A 25 25 LYS CB C 25 32.648 31.807 0.841 1
1 304 . 13 1 1 A 25 25 LYS N N 25 121.653 119.673 1.980 1
1 305 . 13 1 1 A 26 26 GLY H H 26 8.900 8.771 0.129 1
1 306 . 13 1 1 A 26 26 GLY HA2 H 26 4.283 4.015 0.268 1
1 307 . 13 1 1 A 26 26 GLY HA3 H 26 3.471 4.025 -0.554 1
1 308 . 13 1 1 A 26 26 GLY CA C 26 45.263 45.266 -0.003 1
1 309 . 13 1 1 A 26 26 GLY N N 26 115.268 113.594 1.674 1
1 310 . 13 1 1 A 27 27 GLN H H 27 8.433 8.209 0.224 1
1 311 . 13 1 1 A 27 27 GLN HA H 27 4.141 4.312 -0.171 1
1 318 . 13 1 1 A 27 27 GLN CA C 27 56.324 56.908 -0.584 1
1 319 . 13 1 1 A 27 27 GLN CB C 27 30.520 29.824 0.696 1
1 321 . 13 1 1 A 27 27 GLN N N 27 123.155 120.796 2.359 1
1 323 . 13 1 1 A 28 28 THR H H 28 9.110 8.842 0.268 1
1 324 . 13 1 1 A 28 28 THR HA H 28 3.893 4.263 -0.370 1
1 329 . 13 1 1 A 28 28 THR CA C 28 65.828 63.687 2.141 1
1 330 . 13 1 1 A 28 28 THR CB C 28 68.581 68.985 -0.404 1
1 332 . 13 1 1 A 28 28 THR N N 28 124.748 117.452 7.296 1
1 333 . 13 1 1 A 29 29 LEU H H 29 9.509 8.970 0.539 1
1 334 . 13 1 1 A 29 29 LEU HA H 29 4.383 4.476 -0.093 1
1 344 . 13 1 1 A 29 29 LEU CA C 29 55.795 55.805 -0.010 1
1 345 . 13 1 1 A 29 29 LEU CB C 29 44.572 43.680 0.892 1
1 349 . 13 1 1 A 29 29 LEU N N 29 125.873 127.287 -1.414 1
1 350 . 13 1 1 A 30 30 PHE H H 30 7.579 7.662 -0.083 1
1 351 . 13 1 1 A 30 30 PHE HA H 30 5.367 5.345 0.022 1
1 359 . 13 1 1 A 30 30 PHE CA C 30 55.486 56.122 -0.636 1
1 360 . 13 1 1 A 30 30 PHE CB C 30 44.887 43.249 1.638 1
1 361 . 13 1 1 A 30 30 PHE N N 30 111.134 114.937 -3.803 1
1 362 . 13 1 1 A 31 31 ILE H H 31 7.858 8.698 -0.840 1
1 363 . 13 1 1 A 31 31 ILE HA H 31 4.817 4.849 -0.032 1
1 373 . 13 1 1 A 31 31 ILE CA C 31 60.063 60.435 -0.372 1
1 374 . 13 1 1 A 31 31 ILE CB C 31 39.395 42.087 -2.692 1
1 378 . 13 1 1 A 31 31 ILE N N 31 119.416 120.075 -0.659 1
1 379 . 13 1 1 A 32 32 ILE H H 32 9.107 8.706 0.401 1
1 380 . 13 1 1 A 32 32 ILE HA H 32 4.842 5.182 -0.340 1
1 390 . 13 1 1 A 32 32 ILE CA C 32 59.002 59.976 -0.974 1
1 391 . 13 1 1 A 32 32 ILE CB C 32 42.048 42.638 -0.590 1
1 395 . 13 1 1 A 32 32 ILE N N 32 127.892 126.530 1.362 1
1 396 . 13 1 1 A 33 33 GLU H H 33 9.095 8.706 0.389 1
1 397 . 13 1 1 A 33 33 GLU HA H 33 4.642 5.237 -0.595 1
1 402 . 13 1 1 A 33 33 GLU CA C 33 54.985 55.189 -0.204 1
1 403 . 13 1 1 A 33 33 GLU CB C 33 31.672 32.218 -0.546 1
1 405 . 13 1 1 A 33 33 GLU N N 33 128.157 124.946 3.211 1
1 406 . 13 1 1 A 34 34 GLN H H 34 8.725 8.524 0.201 1
1 407 . 13 1 1 A 34 34 GLN HA H 34 4.354 4.670 -0.316 1
1 414 . 13 1 1 A 34 34 GLN CA C 34 56.807 54.905 1.902 1
1 415 . 13 1 1 A 34 34 GLN CB C 34 30.119 30.484 -0.365 1
1 417 . 13 1 1 A 34 34 GLN N N 34 128.123 118.669 9.454 1
1 419 . 13 1 1 A 35 35 ASP H H 35 8.524 8.341 0.183 1
1 420 . 13 1 1 A 35 35 ASP HA H 35 4.609 4.317 0.292 1
1 423 . 13 1 1 A 35 35 ASP CA C 35 54.226 54.925 -0.699 1
1 424 . 13 1 1 A 35 35 ASP CB C 35 41.429 39.389 2.040 1
1 425 . 13 1 1 A 35 35 ASP N N 35 122.485 119.530 2.955 1
1 426 . 13 1 1 A 36 36 GLN H H 36 8.576 8.235 0.341 1
1 427 . 13 1 1 A 36 36 GLN HA H 36 4.041 4.697 -0.656 1
1 434 . 13 1 1 A 36 36 GLN CA C 36 56.662 54.979 1.683 1
1 435 . 13 1 1 A 36 36 GLN CB C 36 29.166 29.265 -0.099 1
1 437 . 13 1 1 A 36 36 GLN N N 36 123.321 121.553 1.768 1
1 439 . 13 1 1 A 37 37 ALA H H 37 8.322 7.802 0.520 1
1 440 . 13 1 1 A 37 37 ALA HA H 37 4.232 4.271 -0.039 1
1 444 . 13 1 1 A 37 37 ALA CA C 37 53.231 52.215 1.016 1
1 445 . 13 1 1 A 37 37 ALA CB C 37 19.020 19.285 -0.265 1
1 446 . 13 1 1 A 37 37 ALA N N 37 123.086 122.114 0.972 1
1 447 . 13 1 1 A 38 38 SER H H 38 7.919 7.605 0.314 1
1 448 . 13 1 1 A 38 38 SER HA H 38 4.283 4.625 -0.342 1
1 451 . 13 1 1 A 38 38 SER CA C 38 58.884 57.328 1.556 1
1 452 . 13 1 1 A 38 38 SER CB C 38 63.835 66.534 -2.699 1
1 453 . 13 1 1 A 38 38 SER N N 38 113.578 111.295 2.283 1
1 454 . 13 1 1 A 39 39 LYS H H 39 8.153 8.700 -0.547 1
1 455 . 13 1 1 A 39 39 LYS HA H 39 4.140 4.306 -0.166 1
1 463 . 13 1 1 A 39 39 LYS CA C 39 57.127 57.813 -0.686 1
1 464 . 13 1 1 A 39 39 LYS CB C 39 32.812 32.218 0.594 1
1 468 . 13 1 1 A 39 39 LYS N N 39 122.651 123.740 -1.089 1
1 469 . 13 1 1 A 40 40 ASP H H 40 8.100 8.340 -0.240 1
1 470 . 13 1 1 A 40 40 ASP HA H 40 4.532 4.870 -0.338 1
1 473 . 13 1 1 A 40 40 ASP CA C 40 54.376 53.330 1.046 1
1 474 . 13 1 1 A 40 40 ASP CB C 40 41.245 41.289 -0.044 1
1 475 . 13 1 1 A 40 40 ASP N N 40 119.441 119.696 -0.255 1
1 476 . 13 1 1 A 41 41 PHE H H 41 7.924 7.316 0.608 1
1 477 . 13 1 1 A 41 41 PHE HA H 41 4.384 5.342 -0.958 1
1 484 . 13 1 1 A 41 41 PHE CA C 41 58.704 56.378 2.326 1
1 485 . 13 1 1 A 41 41 PHE CB C 41 39.397 41.062 -1.665 1
1 486 . 13 1 1 A 41 41 PHE N N 41 121.124 118.925 2.199 1
1 487 . 13 1 1 A 42 42 ASN H H 42 8.311 8.716 -0.405 1
1 488 . 13 1 1 A 42 42 ASN HA H 42 4.523 5.304 -0.781 1
1 492 . 13 1 1 A 42 42 ASN CA C 42 53.133 52.181 0.952 1
1 493 . 13 1 1 A 42 42 ASN CB C 42 38.801 41.898 -3.097 1
1 494 . 13 1 1 A 42 42 ASN N N 42 120.181 118.071 2.110 1
1 496 . 13 1 1 A 43 43 ARG H H 43 8.133 8.523 -0.390 1
1 497 . 13 1 1 A 43 43 ARG HA H 43 4.115 4.405 -0.290 1
1 504 . 13 1 1 A 43 43 ARG CA C 43 57.051 55.801 1.250 1
1 505 . 13 1 1 A 43 43 ARG CB C 43 30.514 29.369 1.145 1
1 508 . 13 1 1 A 43 43 ARG N N 43 121.727 123.368 -1.641 1
1 509 . 13 1 1 A 44 44 SER H H 44 8.174 8.163 0.011 1
1 510 . 13 1 1 A 44 44 SER HA H 44 4.286 4.755 -0.469 1
1 513 . 13 1 1 A 44 44 SER CA C 44 59.344 57.210 2.134 1
1 514 . 13 1 1 A 44 44 SER CB C 44 63.357 64.469 -1.112 1
1 515 . 13 1 1 A 44 44 SER N N 44 115.718 122.205 -6.487 1
1 516 . 13 1 1 A 45 45 LYS H H 45 7.963 8.129 -0.166 1
1 517 . 13 1 1 A 45 45 LYS HA H 45 4.123 4.195 -0.072 1
1 526 . 13 1 1 A 45 45 LYS CA C 45 56.866 58.162 -1.296 1
1 527 . 13 1 1 A 45 45 LYS CB C 45 32.777 33.276 -0.499 1
1 530 . 13 1 1 A 45 45 LYS N N 45 122.326 121.756 0.570 1
1 531 . 13 1 1 A 46 46 ALA H H 46 7.965 7.574 0.391 1
1 532 . 13 1 1 A 46 46 ALA HA H 46 4.165 4.390 -0.225 1
1 536 . 13 1 1 A 46 46 ALA CA C 46 52.999 52.681 0.318 1
1 537 . 13 1 1 A 46 46 ALA CB C 46 18.944 21.199 -2.255 1
1 538 . 13 1 1 A 46 46 ALA N N 46 123.536 118.279 5.257 1
1 539 . 13 1 1 A 47 47 LEU H H 47 7.898 8.060 -0.162 1
1 540 . 13 1 1 A 47 47 LEU HA H 47 4.158 4.384 -0.226 1
1 550 . 13 1 1 A 47 47 LEU CA C 47 55.583 57.134 -1.551 1
1 551 . 13 1 1 A 47 47 LEU CB C 47 42.404 40.701 1.703 1
1 555 . 13 1 1 A 47 47 LEU N N 47 119.914 117.501 2.413 1
1 556 . 13 1 1 A 48 48 PHE H H 48 7.981 7.880 0.101 1
1 557 . 13 1 1 A 48 48 PHE HA H 48 4.539 5.706 -1.167 1
1 564 . 13 1 1 A 48 48 PHE CA C 48 58.033 55.333 2.700 1
1 565 . 13 1 1 A 48 48 PHE CB C 48 39.470 41.595 -2.125 1
1 566 . 13 1 1 A 48 48 PHE N N 48 119.602 117.131 2.471 1
1 567 . 13 1 1 A 49 49 SER H H 49 8.028 9.026 -0.998 1
1 568 . 13 1 1 A 49 49 SER HA H 49 4.332 4.909 -0.577 1
1 571 . 13 1 1 A 49 49 SER CA C 49 58.581 57.038 1.543 1
1 572 . 13 1 1 A 49 49 SER CB C 49 63.866 65.012 -1.146 1
1 573 . 13 1 1 A 49 49 SER N N 49 116.270 117.585 -1.315 1
1 574 . 13 1 1 A 50 50 GLN H H 50 8.266 9.286 -1.020 1
1 575 . 13 1 1 A 50 50 GLN HA H 50 4.257 3.972 0.285 1
1 582 . 13 1 1 A 50 50 GLN CA C 50 56.435 56.722 -0.287 1
1 583 . 13 1 1 A 50 50 GLN CB C 50 29.204 27.513 1.691 1
1 585 . 13 1 1 A 50 50 GLN N N 50 121.931 127.628 -5.697 1
1 587 . 13 1 1 A 51 51 SER H H 51 8.147 8.486 -0.339 1
1 588 . 13 1 1 A 51 51 SER HA H 51 4.338 4.213 0.125 1
1 591 . 13 1 1 A 51 51 SER CA C 51 58.645 59.038 -0.393 1
1 592 . 13 1 1 A 51 51 SER CB C 51 63.784 61.763 2.021 1
1 593 . 13 1 1 A 51 51 SER N N 51 115.676 108.482 7.194 1
1 594 . 13 1 1 A 52 52 ALA H H 52 8.175 8.144 0.031 1
1 595 . 13 1 1 A 52 52 ALA HA H 52 4.265 4.381 -0.116 1
1 599 . 13 1 1 A 52 52 ALA CA C 52 53.031 54.212 -1.181 1
1 600 . 13 1 1 A 52 52 ALA CB C 52 18.941 19.653 -0.712 1
1 601 . 13 1 1 A 52 52 ALA N N 52 125.360 121.987 3.373 1
1 602 . 13 1 1 A 53 53 ILE H H 53 7.870 7.594 0.276 1
1 603 . 13 1 1 A 53 53 ILE HA H 53 4.099 4.381 -0.282 1
1 613 . 13 1 1 A 53 53 ILE CA C 53 61.558 60.061 1.497 1
1 614 . 13 1 1 A 53 53 ILE CB C 53 38.851 39.235 -0.384 1
1 618 . 13 1 1 A 53 53 ILE N N 53 118.231 111.749 6.482 1
1 619 . 13 1 1 A 54 54 SER H H 54 8.159 7.997 0.162 1
1 620 . 13 1 1 A 54 54 SER HA H 54 4.384 4.215 0.169 1
1 623 . 13 1 1 A 54 54 SER CA C 54 58.551 59.457 -0.906 1
1 624 . 13 1 1 A 54 54 SER CB C 54 63.964 62.370 1.594 1
1 625 . 13 1 1 A 54 54 SER N N 54 118.588 117.325 1.263 1
1 626 . 13 1 1 A 55 55 GLN H H 55 8.301 8.576 -0.275 1
1 627 . 13 1 1 A 55 55 GLN HA H 55 4.214 4.024 0.190 1
1 634 . 13 1 1 A 55 55 GLN CA C 55 56.547 58.691 -2.144 1
1 635 . 13 1 1 A 55 55 GLN CB C 55 29.292 28.361 0.931 1
1 637 . 13 1 1 A 55 55 GLN N N 55 122.173 125.560 -3.387 1
1 639 . 13 1 1 A 56 56 LYS H H 56 8.163 7.807 0.356 1
1 640 . 13 1 1 A 56 56 LYS HA H 56 4.177 4.019 0.158 1
1 647 . 13 1 1 A 56 56 LYS CA C 56 56.978 58.043 -1.065 1
1 648 . 13 1 1 A 56 56 LYS CB C 56 32.855 30.817 2.038 1
1 651 . 13 1 1 A 56 56 LYS N N 56 121.126 118.855 2.271 1
1 652 . 13 1 1 A 57 57 GLU H H 57 8.211 8.753 -0.542 1
1 653 . 13 1 1 A 57 57 GLU HA H 57 4.151 4.137 0.014 1
1 658 . 13 1 1 A 57 57 GLU CA C 57 57.058 58.728 -1.670 1
1 659 . 13 1 1 A 57 57 GLU CB C 57 30.211 29.240 0.971 1
1 661 . 13 1 1 A 57 57 GLU N N 57 120.615 123.382 -2.767 1
1 662 . 13 1 1 A 58 58 TYR H H 58 8.070 7.547 0.523 1
1 663 . 13 1 1 A 58 58 TYR HA H 58 4.375 4.541 -0.166 1
1 670 . 13 1 1 A 58 58 TYR CA C 58 58.570 59.729 -1.159 1
1 671 . 13 1 1 A 58 58 TYR CB C 58 38.962 39.352 -0.390 1
1 672 . 13 1 1 A 58 58 TYR N N 58 120.822 121.062 -0.240 1
1 673 . 13 1 1 A 59 59 ASP H H 59 8.146 8.649 -0.503 1
1 674 . 13 1 1 A 59 59 ASP HA H 59 4.492 5.013 -0.521 1
1 677 . 13 1 1 A 59 59 ASP CA C 59 54.396 52.422 1.974 1
1 678 . 13 1 1 A 59 59 ASP CB C 59 41.086 43.492 -2.406 1
1 679 . 13 1 1 A 59 59 ASP N N 59 122.551 124.274 -1.723 1
1 680 . 13 1 1 A 60 60 SER H H 60 8.253 8.665 -0.412 1
1 681 . 13 1 1 A 60 60 SER HA H 60 4.260 4.307 -0.047 1
1 684 . 13 1 1 A 60 60 SER CA C 60 59.533 60.128 -0.595 1
1 685 . 13 1 1 A 60 60 SER CB C 60 63.422 63.471 -0.049 1
1 686 . 13 1 1 A 60 60 SER N N 60 117.657 115.378 2.279 1
1 687 . 13 1 1 A 61 61 SER H H 61 8.344 8.173 0.171 1
1 688 . 13 1 1 A 61 61 SER HA H 61 4.307 4.262 0.045 1
1 691 . 13 1 1 A 61 61 SER CA C 61 59.755 61.345 -1.590 1
1 692 . 13 1 1 A 61 61 SER CB C 61 63.582 63.292 0.290 1
1 693 . 13 1 1 A 61 61 SER N N 61 118.129 117.993 0.136 1
1 694 . 13 1 1 A 62 62 LEU H H 62 7.759 7.687 0.072 1
1 695 . 13 1 1 A 62 62 LEU HA H 62 4.234 4.416 -0.182 1
1 705 . 13 1 1 A 62 62 LEU CA C 62 55.464 54.761 0.703 1
1 706 . 13 1 1 A 62 62 LEU CB C 62 42.238 41.391 0.847 1
1 710 . 13 1 1 A 62 62 LEU N N 62 122.627 113.893 8.734 1
1 711 . 13 1 1 A 63 63 ALA H H 63 7.919 7.829 0.090 1
1 712 . 13 1 1 A 63 63 ALA HA H 63 4.276 4.771 -0.495 1
1 716 . 13 1 1 A 63 63 ALA CA C 63 52.922 50.169 2.753 1
1 717 . 13 1 1 A 63 63 ALA CB C 63 19.221 22.607 -3.386 1
1 718 . 13 1 1 A 63 63 ALA N N 63 123.444 120.255 3.189 1
1 719 . 13 1 1 A 64 64 THR H H 64 7.890 8.734 -0.844 1
1 720 . 13 1 1 A 64 64 THR HA H 64 4.217 4.645 -0.428 1
1 725 . 13 1 1 A 64 64 THR CA C 64 61.787 62.484 -0.697 1
1 726 . 13 1 1 A 64 64 THR CB C 64 69.719 67.703 2.016 1
1 728 . 13 1 1 A 64 64 THR N N 64 112.279 115.379 -3.100 1
1 729 . 13 1 1 A 65 65 LEU H H 65 8.009 8.458 -0.449 1
1 730 . 13 1 1 A 65 65 LEU HA H 65 4.295 5.231 -0.936 1
1 740 . 13 1 1 A 65 65 LEU CA C 65 55.345 52.749 2.596 1
1 741 . 13 1 1 A 65 65 LEU CB C 65 42.412 42.333 0.079 1
1 745 . 13 1 1 A 65 65 LEU N N 65 123.586 123.156 0.430 1
1 746 . 13 1 1 A 66 66 ASP H H 66 8.288 9.116 -0.828 1
1 747 . 13 1 1 A 66 66 ASP HA H 66 4.564 4.268 0.296 1
1 750 . 13 1 1 A 66 66 ASP CA C 66 54.676 54.052 0.624 1
1 751 . 13 1 1 A 66 66 ASP CB C 66 41.376 41.878 -0.502 1
1 752 . 13 1 1 A 66 66 ASP N N 66 120.344 125.253 -4.909 1
1 753 . 13 1 1 A 67 67 HIS H H 67 8.058 8.631 -0.573 1
1 754 . 13 1 1 A 67 67 HIS HA H 67 5.247 5.101 0.146 1
1 758 . 13 1 1 A 67 67 HIS CA C 67 55.260 54.902 0.358 1
1 759 . 13 1 1 A 67 67 HIS CB C 67 31.974 33.605 -1.631 1
1 760 . 13 1 1 A 67 67 HIS N N 67 119.406 117.730 1.676 1
1 761 . 13 1 1 A 68 68 THR H H 68 8.919 9.345 -0.426 1
1 762 . 13 1 1 A 68 68 THR HA H 68 4.484 4.771 -0.287 1
1 767 . 13 1 1 A 68 68 THR CA C 68 62.542 61.501 1.041 1
1 768 . 13 1 1 A 68 68 THR CB C 68 71.067 70.139 0.928 1
1 770 . 13 1 1 A 68 68 THR N N 68 117.233 116.520 0.713 1
1 771 . 13 1 1 A 69 69 GLU H H 69 8.649 8.719 -0.070 1
1 772 . 13 1 1 A 69 69 GLU HA H 69 4.703 4.357 0.346 1
1 777 . 13 1 1 A 69 69 GLU CA C 69 55.886 56.671 -0.785 1
1 778 . 13 1 1 A 69 69 GLU CB C 69 31.746 29.770 1.976 1
1 780 . 13 1 1 A 69 69 GLU N N 69 124.187 125.936 -1.749 1
1 781 . 13 1 1 A 70 70 ILE H H 70 8.601 8.756 -0.155 1
1 782 . 13 1 1 A 70 70 ILE HA H 70 4.405 4.433 -0.028 1
1 792 . 13 1 1 A 70 70 ILE CA C 70 59.234 60.431 -1.197 1
1 793 . 13 1 1 A 70 70 ILE CB C 70 37.318 37.901 -0.583 1
1 797 . 13 1 1 A 70 70 ILE N N 70 123.482 125.918 -2.436 1
1 798 . 13 1 1 A 71 71 LYS H H 71 8.926 8.992 -0.066 1
1 799 . 13 1 1 A 71 71 LYS HA H 71 5.078 5.490 -0.412 1
1 806 . 13 1 1 A 71 71 LYS CA C 71 54.584 54.055 0.529 1
1 807 . 13 1 1 A 71 71 LYS CB C 71 36.281 35.889 0.392 1
1 810 . 13 1 1 A 71 71 LYS N N 71 128.267 124.424 3.843 1
1 811 . 13 1 1 A 72 72 ALA H H 72 8.633 8.336 0.297 1
1 812 . 13 1 1 A 72 72 ALA HA H 72 4.067 4.372 -0.305 1
1 816 . 13 1 1 A 72 72 ALA CA C 72 49.967 50.708 -0.741 1
1 817 . 13 1 1 A 72 72 ALA CB C 72 17.255 18.107 -0.852 1
1 818 . 13 1 1 A 72 72 ALA N N 72 123.088 122.374 0.714 1
1 819 . 13 1 1 A 73 73 PRO HA H 73 4.333 4.264 0.069 1
1 826 . 13 1 1 A 73 73 PRO CA C 73 63.716 64.510 -0.794 1
1 827 . 13 1 1 A 73 73 PRO CB C 73 31.915 31.180 0.735 1
1 830 . 13 1 1 A 74 74 PHE H H 74 6.768 7.303 -0.535 1
1 831 . 13 1 1 A 74 74 PHE HA H 74 4.421 4.703 -0.282 1
1 838 . 13 1 1 A 74 74 PHE CA C 74 54.396 57.009 -2.613 1
1 839 . 13 1 1 A 74 74 PHE CB C 74 40.697 41.128 -0.431 1
1 840 . 13 1 1 A 74 74 PHE N N 74 112.022 114.131 -2.109 1
1 841 . 13 1 1 A 75 75 ASP H H 75 8.583 8.095 0.488 1
1 842 . 13 1 1 A 75 75 ASP HA H 75 4.922 4.728 0.194 1
1 845 . 13 1 1 A 75 75 ASP CA C 75 53.873 54.056 -0.183 1
1 846 . 13 1 1 A 75 75 ASP CB C 75 40.839 42.159 -1.320 1
1 847 . 13 1 1 A 75 75 ASP N N 75 118.252 119.629 -1.377 1
1 848 . 13 1 1 A 76 76 GLY H H 76 8.348 8.037 0.311 1
1 849 . 13 1 1 A 76 76 GLY HA2 H 76 4.236 4.231 0.005 1
1 850 . 13 1 1 A 76 76 GLY HA3 H 76 4.075 4.265 -0.190 1
1 851 . 13 1 1 A 76 76 GLY CA C 76 46.639 44.774 1.865 1
1 852 . 13 1 1 A 76 76 GLY N N 76 108.729 107.372 1.357 1
1 853 . 13 1 1 A 77 77 THR H H 77 8.623 8.453 0.170 1
1 854 . 13 1 1 A 77 77 THR HA H 77 4.975 4.678 0.297 1
1 859 . 13 1 1 A 77 77 THR CA C 77 61.752 62.829 -1.077 1
1 860 . 13 1 1 A 77 77 THR CB C 77 70.121 69.665 0.456 1
1 862 . 13 1 1 A 77 77 THR N N 77 116.400 116.437 -0.037 1
1 863 . 13 1 1 A 78 78 ILE H H 78 8.824 8.648 0.176 1
1 864 . 13 1 1 A 78 78 ILE HA H 78 4.673 4.461 0.212 1
1 874 . 13 1 1 A 78 78 ILE CA C 78 60.164 61.604 -1.440 1
1 875 . 13 1 1 A 78 78 ILE CB C 78 42.973 39.223 3.750 1
1 879 . 13 1 1 A 78 78 ILE N N 78 129.310 129.509 -0.199 1
1 880 . 13 1 1 A 79 79 GLY H H 79 8.060 8.259 -0.199 1
1 881 . 13 1 1 A 79 79 GLY HA2 H 79 4.404 4.166 0.238 1
1 882 . 13 1 1 A 79 79 GLY HA3 H 79 3.775 4.176 -0.401 1
1 883 . 13 1 1 A 79 79 GLY CA C 79 44.149 44.593 -0.444 1
1 884 . 13 1 1 A 79 79 GLY N N 79 114.539 115.453 -0.914 1
1 885 . 13 1 1 A 80 80 ASP H H 80 7.804 8.696 -0.892 1
1 886 . 13 1 1 A 80 80 ASP HA H 80 4.703 4.837 -0.134 1
1 889 . 13 1 1 A 80 80 ASP CA C 80 53.703 54.075 -0.372 1
1 890 . 13 1 1 A 80 80 ASP CB C 80 41.918 42.104 -0.186 1
1 891 . 13 1 1 A 80 80 ASP N N 80 113.688 120.632 -6.944 1
1 892 . 13 1 1 A 81 81 ALA H H 81 8.566 8.962 -0.396 1
1 893 . 13 1 1 A 81 81 ALA HA H 81 4.571 4.819 -0.248 1
1 897 . 13 1 1 A 81 81 ALA CA C 81 53.312 52.542 0.770 1
1 898 . 13 1 1 A 81 81 ALA CB C 81 20.381 18.974 1.407 1
1 899 . 13 1 1 A 81 81 ALA N N 81 124.136 124.573 -0.437 1
1 900 . 13 1 1 A 82 82 LEU H H 82 8.747 8.564 0.183 1
1 901 . 13 1 1 A 82 82 LEU HA H 82 4.345 4.457 -0.112 1
1 910 . 13 1 1 A 82 82 LEU CA C 82 55.210 56.897 -1.687 1
1 911 . 13 1 1 A 82 82 LEU CB C 82 41.457 42.862 -1.405 1
1 914 . 13 1 1 A 82 82 LEU N N 82 121.773 126.156 -4.383 1
1 915 . 13 1 1 A 83 83 VAL H H 83 7.141 7.351 -0.210 1
1 916 . 13 1 1 A 83 83 VAL HA H 83 4.496 4.750 -0.254 1
1 924 . 13 1 1 A 83 83 VAL CA C 83 58.502 59.862 -1.360 1
1 925 . 13 1 1 A 83 83 VAL CB C 83 35.229 34.226 1.003 1
1 928 . 13 1 1 A 83 83 VAL N N 83 108.169 115.715 -7.546 1
1 929 . 13 1 1 A 84 84 ASN H H 84 9.076 8.714 0.362 1
1 930 . 13 1 1 A 84 84 ASN HA H 84 4.887 5.262 -0.375 1
1 935 . 13 1 1 A 84 84 ASN CA C 84 51.248 51.532 -0.284 1
1 936 . 13 1 1 A 84 84 ASN CB C 84 41.989 42.223 -0.234 1
1 937 . 13 1 1 A 84 84 ASN N N 84 119.502 118.935 0.567 1
1 939 . 13 1 1 A 85 85 ILE H H 85 8.404 8.393 0.011 1
1 940 . 13 1 1 A 85 85 ILE HA H 85 3.393 4.015 -0.622 1
1 950 . 13 1 1 A 85 85 ILE CA C 85 63.873 62.971 0.902 1
1 951 . 13 1 1 A 85 85 ILE CB C 85 37.146 38.599 -1.453 1
1 955 . 13 1 1 A 85 85 ILE N N 85 119.409 121.320 -1.911 1
1 956 . 13 1 1 A 86 86 GLY H H 86 9.239 9.129 0.110 1
1 957 . 13 1 1 A 86 86 GLY HA2 H 86 4.401 3.908 0.493 1
1 958 . 13 1 1 A 86 86 GLY HA3 H 86 3.411 3.922 -0.511 1
1 959 . 13 1 1 A 86 86 GLY CA C 86 44.869 46.261 -1.392 1
1 960 . 13 1 1 A 86 86 GLY N N 86 117.321 114.989 2.332 1
1 961 . 13 1 1 A 87 87 ASP H H 87 7.968 8.279 -0.311 1
1 962 . 13 1 1 A 87 87 ASP HA H 87 4.607 4.782 -0.175 1
1 965 . 13 1 1 A 87 87 ASP CA C 87 54.886 53.499 1.387 1
1 966 . 13 1 1 A 87 87 ASP CB C 87 40.771 41.503 -0.732 1
1 967 . 13 1 1 A 87 87 ASP N N 87 121.490 120.854 0.636 1
1 968 . 13 1 1 A 88 88 TYR H H 88 8.566 9.085 -0.519 1
1 969 . 13 1 1 A 88 88 TYR HA H 88 4.712 4.970 -0.258 1
1 976 . 13 1 1 A 88 88 TYR CA C 88 57.826 57.099 0.727 1
1 977 . 13 1 1 A 88 88 TYR CB C 88 39.243 38.490 0.753 1
1 978 . 13 1 1 A 88 88 TYR N N 88 122.340 126.902 -4.562 1
1 979 . 13 1 1 A 89 89 VAL H H 89 8.951 8.525 0.426 1
1 980 . 13 1 1 A 89 89 VAL HA H 89 4.578 4.666 -0.088 1
1 988 . 13 1 1 A 89 89 VAL CA C 89 58.339 60.015 -1.676 1
1 989 . 13 1 1 A 89 89 VAL CB C 89 34.321 33.204 1.117 1
1 992 . 13 1 1 A 89 89 VAL N N 89 121.914 123.289 -1.375 1
1 993 . 13 1 1 A 90 90 SER H H 90 8.777 8.917 -0.140 1
1 994 . 13 1 1 A 90 90 SER HA H 90 4.750 4.612 0.138 1
1 997 . 13 1 1 A 90 90 SER CA C 90 56.895 56.897 -0.002 1
1 998 . 13 1 1 A 90 90 SER CB C 90 64.866 64.066 0.800 1
1 999 . 13 1 1 A 90 90 SER N N 90 114.813 120.415 -5.602 1
1 1000 . 13 1 1 A 91 91 ALA H H 91 8.712 8.248 0.464 1
1 1001 . 13 1 1 A 91 91 ALA HA H 91 3.515 3.982 -0.467 1
1 1005 . 13 1 1 A 91 91 ALA CA C 91 53.317 54.005 -0.688 1
1 1006 . 13 1 1 A 91 91 ALA CB C 91 18.678 17.747 0.931 1
1 1007 . 13 1 1 A 91 91 ALA N N 91 129.870 128.507 1.363 1
1 1008 . 13 1 1 A 92 92 SER H H 92 9.170 8.877 0.293 1
1 1009 . 13 1 1 A 92 92 SER HA H 92 3.817 4.116 -0.299 1
1 1012 . 13 1 1 A 92 92 SER CA C 92 60.652 60.828 -0.176 1
1 1013 . 13 1 1 A 92 92 SER CB C 92 62.505 62.723 -0.218 1
1 1014 . 13 1 1 A 92 92 SER N N 92 113.294 114.152 -0.858 1
1 1015 . 13 1 1 A 93 93 THR H H 93 7.816 7.401 0.415 1
1 1016 . 13 1 1 A 93 93 THR HA H 93 4.402 4.091 0.311 1
1 1021 . 13 1 1 A 93 93 THR CA C 93 64.378 66.338 -1.960 1
1 1022 . 13 1 1 A 93 93 THR CB C 93 70.948 68.751 2.197 1
1 1024 . 13 1 1 A 93 93 THR N N 93 113.858 115.221 -1.363 1
1 1025 . 13 1 1 A 94 94 THR H H 94 7.702 8.005 -0.303 1
1 1026 . 13 1 1 A 94 94 THR HA H 94 3.910 4.453 -0.543 1
1 1031 . 13 1 1 A 94 94 THR CA C 94 65.140 61.500 3.640 1
1 1032 . 13 1 1 A 94 94 THR CB C 94 70.001 68.567 1.434 1
1 1034 . 13 1 1 A 94 94 THR N N 94 119.588 113.466 6.122 1
1 1035 . 13 1 1 A 95 95 GLU H H 95 8.407 8.917 -0.510 1
1 1036 . 13 1 1 A 95 95 GLU HA H 95 3.801 4.324 -0.523 1
1 1041 . 13 1 1 A 95 95 GLU CA C 95 56.613 56.255 0.358 1
1 1042 . 13 1 1 A 95 95 GLU CB C 95 29.600 29.828 -0.228 1
1 1044 . 13 1 1 A 95 95 GLU N N 95 124.764 126.622 -1.858 1
1 1045 . 13 1 1 A 96 96 LEU H H 96 8.750 8.800 -0.050 1
1 1046 . 13 1 1 A 96 96 LEU HA H 96 4.260 4.444 -0.184 1
1 1056 . 13 1 1 A 96 96 LEU CA C 96 56.927 55.295 1.632 1
1 1057 . 13 1 1 A 96 96 LEU CB C 96 43.310 42.579 0.731 1
1 1061 . 13 1 1 A 96 96 LEU N N 96 120.035 121.447 -1.412 1
1 1062 . 13 1 1 A 97 97 VAL H H 97 7.053 7.456 -0.403 1
1 1063 . 13 1 1 A 97 97 VAL HA H 97 4.345 4.680 -0.335 1
1 1071 . 13 1 1 A 97 97 VAL CA C 97 61.291 60.755 0.536 1
1 1072 . 13 1 1 A 97 97 VAL CB C 97 31.577 36.396 -4.819 1
1 1075 . 13 1 1 A 97 97 VAL N N 97 112.365 116.479 -4.114 1
1 1076 . 13 1 1 A 98 98 ARG H H 98 8.980 8.604 0.376 1
1 1077 . 13 1 1 A 98 98 ARG HA H 98 5.267 5.020 0.247 1
1 1084 . 13 1 1 A 98 98 ARG CA C 98 55.195 54.948 0.247 1
1 1085 . 13 1 1 A 98 98 ARG CB C 98 32.818 32.557 0.261 1
1 1088 . 13 1 1 A 98 98 ARG N N 98 127.477 123.831 3.646 1
1 1089 . 13 1 1 A 99 99 VAL H H 99 8.887 8.989 -0.102 1
1 1090 . 13 1 1 A 99 99 VAL HA H 99 4.556 5.056 -0.500 1
1 1095 . 13 1 1 A 99 99 VAL CA C 99 60.968 61.134 -0.166 1
1 1096 . 13 1 1 A 99 99 VAL CB C 99 34.186 34.484 -0.298 1
1 1098 . 13 1 1 A 99 99 VAL N N 99 122.826 121.792 1.034 1
1 1099 . 13 1 1 A 100 100 THR H H 100 8.833 9.038 -0.205 1
1 1100 . 13 1 1 A 100 100 THR HA H 100 4.559 4.830 -0.271 1
1 1105 . 13 1 1 A 100 100 THR CA C 100 61.080 60.785 0.295 1
1 1106 . 13 1 1 A 100 100 THR CB C 100 70.669 70.819 -0.150 1
1 1108 . 13 1 1 A 100 100 THR N N 100 121.816 117.660 4.156 1
1 1109 . 13 1 1 A 101 101 ASN H H 101 8.153 9.200 -1.047 1
1 1110 . 13 1 1 A 101 101 ASN HA H 101 4.518 4.310 0.208 1
1 1115 . 13 1 1 A 101 101 ASN CA C 101 54.238 53.987 0.251 1
1 1116 . 13 1 1 A 101 101 ASN CB C 101 38.470 37.001 1.469 1
1 1117 . 13 1 1 A 101 101 ASN N N 101 122.733 119.525 3.208 1
1 1119 . 13 1 1 A 102 102 LEU H H 102 8.160 7.821 0.339 1
1 1120 . 13 1 1 A 102 102 LEU HA H 102 4.245 4.487 -0.242 1
1 1130 . 13 1 1 A 102 102 LEU CA C 102 55.449 56.171 -0.722 1
1 1131 . 13 1 1 A 102 102 LEU CB C 102 42.549 43.873 -1.324 1
1 1135 . 13 1 1 A 102 102 LEU N N 102 122.544 125.367 -2.823 1
1 1136 . 13 1 1 A 103 103 ASN H H 103 8.405 8.213 0.192 1
1 1137 . 13 1 1 A 103 103 ASN HA H 103 4.867 5.067 -0.200 1
1 1142 . 13 1 1 A 103 103 ASN CA C 103 51.316 49.991 1.325 1
1 1143 . 13 1 1 A 103 103 ASN CB C 103 39.049 39.188 -0.139 1
1 1144 . 13 1 1 A 103 103 ASN N N 103 120.174 117.383 2.791 1
1 1146 . 13 1 1 A 104 104 PRO HA H 104 4.230 4.665 -0.435 1
1 1153 . 13 1 1 A 104 104 PRO CA C 104 63.559 62.383 1.176 1
1 1154 . 13 1 1 A 104 104 PRO CB C 104 32.102 33.221 -1.119 1
1 1157 . 13 1 1 A 105 105 ILE H H 105 7.886 8.530 -0.644 1
1 1158 . 13 1 1 A 105 105 ILE HA H 105 3.941 4.528 -0.587 1
1 1168 . 13 1 1 A 105 105 ILE CA C 105 61.348 59.661 1.687 1
1 1169 . 13 1 1 A 105 105 ILE CB C 105 38.569 42.248 -3.679 1
1 1173 . 13 1 1 A 105 105 ILE N N 105 119.390 120.873 -1.483 1
1 1174 . 13 1 1 A 106 106 TYR H H 106 7.961 8.432 -0.471 1
1 1175 . 13 1 1 A 106 106 TYR HA H 106 4.536 4.948 -0.412 1
1 1182 . 13 1 1 A 106 106 TYR CA C 106 57.370 56.207 1.163 1
1 1183 . 13 1 1 A 106 106 TYR CB C 106 38.889 38.027 0.862 1
1 1184 . 13 1 1 A 106 106 TYR N N 106 123.172 121.973 1.199 1
1 1185 . 13 1 1 A 107 107 ALA H H 107 8.128 7.900 0.228 1
1 1186 . 13 1 1 A 107 107 ALA HA H 107 4.217 4.476 -0.259 1
1 1190 . 13 1 1 A 107 107 ALA CA C 107 52.724 52.056 0.668 1
1 1191 . 13 1 1 A 107 107 ALA CB C 107 19.133 21.570 -2.437 1
1 1192 . 13 1 1 A 107 107 ALA N N 107 125.520 120.678 4.842 1
1 1193 . 13 1 1 A 108 108 ASP H H 108 8.147 9.245 -1.098 1
1 1194 . 13 1 1 A 108 108 ASP HA H 108 4.511 4.534 -0.023 1
1 1197 . 13 1 1 A 108 108 ASP CA C 108 54.342 55.874 -1.532 1
1 1198 . 13 1 1 A 108 108 ASP CB C 108 41.240 40.927 0.313 1
1 1199 . 13 1 1 A 108 108 ASP N N 108 119.219 122.868 -3.649 1
1 1200 . 13 1 1 A 109 109 GLY H H 109 8.313 7.956 0.357 1
1 1201 . 13 1 1 A 109 109 GLY HA2 H 109 3.946 4.184 -0.238 1
1 1202 . 13 1 1 A 109 109 GLY HA3 H 109 3.848 4.197 -0.349 1
1 1203 . 13 1 1 A 109 109 GLY CA C 109 45.692 45.392 0.300 1
1 1204 . 13 1 1 A 109 109 GLY N N 109 109.478 106.706 2.772 1
1 1205 . 13 1 1 A 110 110 SER H H 110 8.175 8.563 -0.388 1
1 1206 . 13 1 1 A 110 110 SER HA H 110 4.286 4.558 -0.272 1
1 1209 . 13 1 1 A 110 110 SER CA C 110 59.296 60.670 -1.374 1
1 1210 . 13 1 1 A 110 110 SER CB C 110 63.825 64.194 -0.369 1
1 1211 . 13 1 1 A 110 110 SER N N 110 115.660 121.520 -5.860 1
1 1212 . 13 1 1 A 111 111 HIS HA H 111 4.527 4.267 0.260 1
1 1215 . 13 1 1 A 111 111 HIS CA C 111 56.109 56.738 -0.629 1
1 1216 . 13 1 1 A 111 111 HIS CB C 111 30.580 28.233 2.347 1
1 1217 . 13 1 1 A 112 112 HIS HA H 112 4.535 4.529 0.006 1
1 1220 . 13 1 1 A 112 112 HIS CA C 112 57.411 55.605 1.806 1
1 1221 . 13 1 1 A 112 112 HIS CB C 112 30.756 29.553 1.203 1
1 2 . 14 1 1 A 2 2 VAL H H 2 8.613 8.470 0.143 1
1 3 . 14 1 1 A 2 2 VAL HA H 2 4.487 4.958 -0.471 1
1 11 . 14 1 1 A 2 2 VAL CA C 2 61.103 60.789 0.314 1
1 12 . 14 1 1 A 2 2 VAL CB C 2 35.731 35.919 -0.188 1
1 15 . 14 1 1 A 2 2 VAL N N 2 117.956 123.561 -5.605 1
1 16 . 14 1 1 A 3 3 ILE H H 3 8.439 8.895 -0.456 1
1 17 . 14 1 1 A 3 3 ILE HA H 3 4.498 4.796 -0.298 1
1 27 . 14 1 1 A 3 3 ILE CA C 3 60.172 59.886 0.286 1
1 28 . 14 1 1 A 3 3 ILE CB C 3 38.528 40.408 -1.880 1
1 32 . 14 1 1 A 3 3 ILE N N 3 125.643 126.754 -1.111 1
1 33 . 14 1 1 A 4 4 ILE H H 4 8.543 9.053 -0.510 1
1 34 . 14 1 1 A 4 4 ILE HA H 4 4.005 4.678 -0.673 1
1 44 . 14 1 1 A 4 4 ILE CA C 4 61.550 60.433 1.117 1
1 45 . 14 1 1 A 4 4 ILE CB C 4 38.038 38.569 -0.531 1
1 49 . 14 1 1 A 4 4 ILE N N 4 127.460 127.135 0.325 1
1 50 . 14 1 1 A 5 5 LYS H H 5 8.292 8.715 -0.423 1
1 51 . 14 1 1 A 5 5 LYS HA H 5 5.173 4.656 0.517 1
1 60 . 14 1 1 A 5 5 LYS CA C 5 53.276 52.932 0.344 1
1 61 . 14 1 1 A 5 5 LYS CB C 5 33.713 34.133 -0.420 1
1 65 . 14 1 1 A 5 5 LYS N N 5 126.677 126.298 0.379 1
1 66 . 14 1 1 A 6 6 PRO HA H 6 4.383 4.635 -0.252 1
1 73 . 14 1 1 A 6 6 PRO CA C 6 62.444 62.272 0.172 1
1 74 . 14 1 1 A 6 6 PRO CB C 6 32.018 33.166 -1.148 1
1 77 . 14 1 1 A 7 7 GLN H H 7 9.359 8.648 0.711 1
1 78 . 14 1 1 A 7 7 GLN HA H 7 4.406 4.475 -0.069 1
1 85 . 14 1 1 A 7 7 GLN CA C 7 56.357 55.943 0.414 1
1 86 . 14 1 1 A 7 7 GLN CB C 7 28.784 30.843 -2.059 1
1 88 . 14 1 1 A 7 7 GLN N N 7 119.975 118.979 0.996 1
1 90 . 14 1 1 A 8 8 VAL H H 8 7.032 7.406 -0.374 1
1 91 . 14 1 1 A 8 8 VAL HA H 8 4.486 4.545 -0.059 1
1 99 . 14 1 1 A 8 8 VAL CA C 8 58.874 58.893 -0.019 1
1 100 . 14 1 1 A 8 8 VAL CB C 8 35.169 35.505 -0.336 1
1 103 . 14 1 1 A 8 8 VAL N N 8 111.122 117.536 -6.414 1
1 104 . 14 1 1 A 9 9 SER H H 9 8.210 8.411 -0.201 1
1 105 . 14 1 1 A 9 9 SER HA H 9 4.957 5.132 -0.175 1
1 108 . 14 1 1 A 9 9 SER CA C 9 56.585 57.472 -0.887 1
1 109 . 14 1 1 A 9 9 SER CB C 9 64.442 64.548 -0.106 1
1 110 . 14 1 1 A 9 9 SER N N 9 115.043 118.322 -3.279 1
1 111 . 14 1 1 A 10 10 GLY H H 10 8.003 7.946 0.057 1
1 112 . 14 1 1 A 10 10 GLY HA2 H 10 4.412 4.193 0.219 1
1 113 . 14 1 1 A 10 10 GLY HA3 H 10 3.645 4.208 -0.563 1
1 114 . 14 1 1 A 10 10 GLY CA C 10 45.292 46.068 -0.776 1
1 115 . 14 1 1 A 10 10 GLY N N 10 108.708 111.269 -2.561 1
1 116 . 14 1 1 A 11 11 VAL H H 11 8.006 7.917 0.089 1
1 117 . 14 1 1 A 11 11 VAL HA H 11 4.743 4.688 0.055 1
1 125 . 14 1 1 A 11 11 VAL CA C 11 60.539 60.619 -0.080 1
1 126 . 14 1 1 A 11 11 VAL CB C 11 34.951 35.802 -0.851 1
1 129 . 14 1 1 A 11 11 VAL N N 11 118.308 120.277 -1.969 1
1 130 . 14 1 1 A 12 12 ILE H H 12 8.459 8.579 -0.120 1
1 131 . 14 1 1 A 12 12 ILE HA H 12 4.050 4.350 -0.300 1
1 141 . 14 1 1 A 12 12 ILE CA C 12 60.287 62.356 -2.069 1
1 142 . 14 1 1 A 12 12 ILE CB C 12 35.650 38.085 -2.435 1
1 146 . 14 1 1 A 12 12 ILE N N 12 125.265 126.310 -1.045 1
1 147 . 14 1 1 A 13 13 VAL H H 13 8.908 9.373 -0.465 1
1 148 . 14 1 1 A 13 13 VAL HA H 13 4.500 4.268 0.232 1
1 156 . 14 1 1 A 13 13 VAL CA C 13 62.126 63.287 -1.161 1
1 157 . 14 1 1 A 13 13 VAL CB C 13 33.291 33.672 -0.381 1
1 160 . 14 1 1 A 13 13 VAL N N 13 124.479 126.313 -1.834 1
1 161 . 14 1 1 A 14 14 ASN H H 14 7.653 7.614 0.039 1
1 162 . 14 1 1 A 14 14 ASN HA H 14 4.819 5.103 -0.284 1
1 167 . 14 1 1 A 14 14 ASN CA C 14 52.806 52.544 0.262 1
1 168 . 14 1 1 A 14 14 ASN CB C 14 41.978 41.931 0.047 1
1 169 . 14 1 1 A 14 14 ASN N N 14 114.961 114.719 0.242 1
1 171 . 14 1 1 A 15 15 LYS H H 15 8.404 8.705 -0.301 1
1 172 . 14 1 1 A 15 15 LYS HA H 15 4.641 5.110 -0.469 1
1 179 . 14 1 1 A 15 15 LYS CA C 15 55.935 54.643 1.292 1
1 180 . 14 1 1 A 15 15 LYS CB C 15 35.274 34.548 0.726 1
1 183 . 14 1 1 A 15 15 LYS N N 15 123.768 119.359 4.409 1
1 184 . 14 1 1 A 16 16 LEU H H 16 8.020 8.765 -0.745 1
1 185 . 14 1 1 A 16 16 LEU HA H 16 4.611 4.521 0.090 1
1 195 . 14 1 1 A 16 16 LEU CA C 16 55.124 54.129 0.995 1
1 196 . 14 1 1 A 16 16 LEU CB C 16 41.308 39.957 1.351 1
1 200 . 14 1 1 A 16 16 LEU N N 16 126.162 126.423 -0.261 1
1 201 . 14 1 1 A 17 17 PHE H H 17 6.573 7.555 -0.982 1
1 202 . 14 1 1 A 17 17 PHE HA H 17 4.862 5.044 -0.182 1
1 207 . 14 1 1 A 17 17 PHE CA C 17 55.528 55.771 -0.243 1
1 208 . 14 1 1 A 17 17 PHE CB C 17 41.093 41.190 -0.097 1
1 209 . 14 1 1 A 17 17 PHE N N 17 113.628 115.757 -2.129 1
1 210 . 14 1 1 A 18 18 LYS H H 18 8.655 8.449 0.206 1
1 211 . 14 1 1 A 18 18 LYS HA H 18 4.333 4.409 -0.076 1
1 220 . 14 1 1 A 18 18 LYS CA C 18 54.277 53.830 0.447 1
1 221 . 14 1 1 A 18 18 LYS CB C 18 35.134 36.344 -1.210 1
1 225 . 14 1 1 A 18 18 LYS N N 18 120.572 118.752 1.820 1
1 226 . 14 1 1 A 19 19 ALA H H 19 8.407 8.306 0.101 1
1 227 . 14 1 1 A 19 19 ALA HA H 19 3.962 4.776 -0.814 1
1 231 . 14 1 1 A 19 19 ALA CA C 19 53.980 52.821 1.159 1
1 232 . 14 1 1 A 19 19 ALA CB C 19 18.497 19.161 -0.664 1
1 233 . 14 1 1 A 19 19 ALA N N 19 123.842 124.335 -0.493 1
1 234 . 14 1 1 A 20 20 GLY H H 20 8.814 9.015 -0.201 1
1 235 . 14 1 1 A 20 20 GLY HA2 H 20 4.313 3.925 0.388 1
1 236 . 14 1 1 A 20 20 GLY HA3 H 20 3.532 3.941 -0.409 1
1 237 . 14 1 1 A 20 20 GLY CA C 20 45.045 45.739 -0.694 1
1 238 . 14 1 1 A 20 20 GLY N N 20 112.434 111.328 1.106 1
1 239 . 14 1 1 A 21 21 ASP H H 21 7.933 8.006 -0.073 1
1 240 . 14 1 1 A 21 21 ASP HA H 21 4.499 5.022 -0.523 1
1 243 . 14 1 1 A 21 21 ASP CA C 21 55.383 52.523 2.860 1
1 244 . 14 1 1 A 21 21 ASP CB C 21 41.067 43.157 -2.090 1
1 245 . 14 1 1 A 21 21 ASP N N 21 121.505 120.843 0.662 1
1 246 . 14 1 1 A 22 22 LYS H H 22 8.311 8.423 -0.112 1
1 247 . 14 1 1 A 22 22 LYS HA H 22 4.871 5.025 -0.154 1
1 256 . 14 1 1 A 22 22 LYS CA C 22 55.659 55.265 0.394 1
1 257 . 14 1 1 A 22 22 LYS CB C 22 31.820 34.555 -2.735 1
1 261 . 14 1 1 A 22 22 LYS N N 22 120.225 119.706 0.519 1
1 262 . 14 1 1 A 23 23 VAL H H 23 8.935 8.822 0.113 1
1 263 . 14 1 1 A 23 23 VAL HA H 23 4.841 4.987 -0.146 1
1 271 . 14 1 1 A 23 23 VAL CA C 23 58.502 59.343 -0.841 1
1 272 . 14 1 1 A 23 23 VAL CB C 23 34.507 35.596 -1.089 1
1 275 . 14 1 1 A 23 23 VAL N N 23 117.700 120.019 -2.319 1
1 276 . 14 1 1 A 24 24 LYS H H 24 7.960 8.898 -0.938 1
1 277 . 14 1 1 A 24 24 LYS HA H 24 4.838 5.087 -0.249 1
1 286 . 14 1 1 A 24 24 LYS CA C 24 53.195 54.179 -0.984 1
1 287 . 14 1 1 A 24 24 LYS CB C 24 35.213 36.210 -0.997 1
1 291 . 14 1 1 A 24 24 LYS N N 24 121.958 125.936 -3.978 1
1 292 . 14 1 1 A 25 25 LYS H H 25 8.915 8.710 0.205 1
1 293 . 14 1 1 A 25 25 LYS HA H 25 3.156 3.948 -0.792 1
1 300 . 14 1 1 A 25 25 LYS CA C 25 58.648 57.822 0.826 1
1 301 . 14 1 1 A 25 25 LYS CB C 25 32.648 31.183 1.465 1
1 304 . 14 1 1 A 25 25 LYS N N 25 121.653 125.208 -3.555 1
1 305 . 14 1 1 A 26 26 GLY H H 26 8.900 8.514 0.386 1
1 306 . 14 1 1 A 26 26 GLY HA2 H 26 4.283 3.989 0.294 1
1 307 . 14 1 1 A 26 26 GLY HA3 H 26 3.471 3.998 -0.527 1
1 308 . 14 1 1 A 26 26 GLY CA C 26 45.263 45.019 0.244 1
1 309 . 14 1 1 A 26 26 GLY N N 26 115.268 113.107 2.161 1
1 310 . 14 1 1 A 27 27 GLN H H 27 8.433 7.796 0.637 1
1 311 . 14 1 1 A 27 27 GLN HA H 27 4.141 4.416 -0.275 1
1 318 . 14 1 1 A 27 27 GLN CA C 27 56.324 55.328 0.996 1
1 319 . 14 1 1 A 27 27 GLN CB C 27 30.520 29.669 0.851 1
1 321 . 14 1 1 A 27 27 GLN N N 27 123.155 119.932 3.223 1
1 323 . 14 1 1 A 28 28 THR H H 28 9.110 8.922 0.188 1
1 324 . 14 1 1 A 28 28 THR HA H 28 3.893 4.229 -0.336 1
1 329 . 14 1 1 A 28 28 THR CA C 28 65.828 63.709 2.119 1
1 330 . 14 1 1 A 28 28 THR CB C 28 68.581 69.317 -0.736 1
1 332 . 14 1 1 A 28 28 THR N N 28 124.748 118.701 6.047 1
1 333 . 14 1 1 A 29 29 LEU H H 29 9.509 9.045 0.464 1
1 334 . 14 1 1 A 29 29 LEU HA H 29 4.383 4.562 -0.179 1
1 344 . 14 1 1 A 29 29 LEU CA C 29 55.795 55.702 0.093 1
1 345 . 14 1 1 A 29 29 LEU CB C 29 44.572 44.340 0.232 1
1 349 . 14 1 1 A 29 29 LEU N N 29 125.873 126.182 -0.309 1
1 350 . 14 1 1 A 30 30 PHE H H 30 7.579 7.806 -0.227 1
1 351 . 14 1 1 A 30 30 PHE HA H 30 5.367 5.316 0.051 1
1 359 . 14 1 1 A 30 30 PHE CA C 30 55.486 56.139 -0.653 1
1 360 . 14 1 1 A 30 30 PHE CB C 30 44.887 43.190 1.697 1
1 361 . 14 1 1 A 30 30 PHE N N 30 111.134 114.893 -3.759 1
1 362 . 14 1 1 A 31 31 ILE H H 31 7.858 8.653 -0.795 1
1 363 . 14 1 1 A 31 31 ILE HA H 31 4.817 4.829 -0.012 1
1 373 . 14 1 1 A 31 31 ILE CA C 31 60.063 60.332 -0.269 1
1 374 . 14 1 1 A 31 31 ILE CB C 31 39.395 41.938 -2.543 1
1 378 . 14 1 1 A 31 31 ILE N N 31 119.416 120.128 -0.712 1
1 379 . 14 1 1 A 32 32 ILE H H 32 9.107 8.570 0.537 1
1 380 . 14 1 1 A 32 32 ILE HA H 32 4.842 5.021 -0.179 1
1 390 . 14 1 1 A 32 32 ILE CA C 32 59.002 60.095 -1.093 1
1 391 . 14 1 1 A 32 32 ILE CB C 32 42.048 42.339 -0.291 1
1 395 . 14 1 1 A 32 32 ILE N N 32 127.892 126.536 1.356 1
1 396 . 14 1 1 A 33 33 GLU H H 33 9.095 8.825 0.270 1
1 397 . 14 1 1 A 33 33 GLU HA H 33 4.642 5.288 -0.646 1
1 402 . 14 1 1 A 33 33 GLU CA C 33 54.985 54.556 0.429 1
1 403 . 14 1 1 A 33 33 GLU CB C 33 31.672 33.339 -1.667 1
1 405 . 14 1 1 A 33 33 GLU N N 33 128.157 127.736 0.421 1
1 406 . 14 1 1 A 34 34 GLN H H 34 8.725 8.591 0.134 1
1 407 . 14 1 1 A 34 34 GLN HA H 34 4.354 4.778 -0.424 1
1 414 . 14 1 1 A 34 34 GLN CA C 34 56.807 53.513 3.294 1
1 415 . 14 1 1 A 34 34 GLN CB C 34 30.119 30.861 -0.742 1
1 417 . 14 1 1 A 34 34 GLN N N 34 128.123 124.438 3.685 1
1 419 . 14 1 1 A 35 35 ASP H H 35 8.524 8.839 -0.315 1
1 420 . 14 1 1 A 35 35 ASP HA H 35 4.609 4.488 0.121 1
1 423 . 14 1 1 A 35 35 ASP CA C 35 54.226 55.475 -1.249 1
1 424 . 14 1 1 A 35 35 ASP CB C 35 41.429 41.281 0.148 1
1 425 . 14 1 1 A 35 35 ASP N N 35 122.485 118.613 3.872 1
1 426 . 14 1 1 A 36 36 GLN H H 36 8.576 7.938 0.638 1
1 427 . 14 1 1 A 36 36 GLN HA H 36 4.041 4.109 -0.068 1
1 434 . 14 1 1 A 36 36 GLN CA C 36 56.662 58.964 -2.302 1
1 435 . 14 1 1 A 36 36 GLN CB C 36 29.166 28.599 0.567 1
1 437 . 14 1 1 A 36 36 GLN N N 36 123.321 118.332 4.989 1
1 439 . 14 1 1 A 37 37 ALA H H 37 8.322 7.837 0.485 1
1 440 . 14 1 1 A 37 37 ALA HA H 37 4.232 4.601 -0.369 1
1 444 . 14 1 1 A 37 37 ALA CA C 37 53.231 51.545 1.686 1
1 445 . 14 1 1 A 37 37 ALA CB C 37 19.020 18.951 0.069 1
1 446 . 14 1 1 A 37 37 ALA N N 37 123.086 120.532 2.554 1
1 447 . 14 1 1 A 38 38 SER H H 38 7.919 8.314 -0.395 1
1 448 . 14 1 1 A 38 38 SER HA H 38 4.283 4.508 -0.225 1
1 451 . 14 1 1 A 38 38 SER CA C 38 58.884 59.137 -0.253 1
1 452 . 14 1 1 A 38 38 SER CB C 38 63.835 63.355 0.480 1
1 453 . 14 1 1 A 38 38 SER N N 38 113.578 112.677 0.901 1
1 454 . 14 1 1 A 39 39 LYS H H 39 8.153 7.870 0.283 1
1 455 . 14 1 1 A 39 39 LYS HA H 39 4.140 4.448 -0.308 1
1 463 . 14 1 1 A 39 39 LYS CA C 39 57.127 57.056 0.071 1
1 464 . 14 1 1 A 39 39 LYS CB C 39 32.812 33.944 -1.132 1
1 468 . 14 1 1 A 39 39 LYS N N 39 122.651 120.491 2.160 1
1 469 . 14 1 1 A 40 40 ASP H H 40 8.100 8.347 -0.247 1
1 470 . 14 1 1 A 40 40 ASP HA H 40 4.532 4.689 -0.157 1
1 473 . 14 1 1 A 40 40 ASP CA C 40 54.376 53.672 0.704 1
1 474 . 14 1 1 A 40 40 ASP CB C 40 41.245 40.202 1.043 1
1 475 . 14 1 1 A 40 40 ASP N N 40 119.441 115.530 3.911 1
1 476 . 14 1 1 A 41 41 PHE H H 41 7.924 7.748 0.176 1
1 477 . 14 1 1 A 41 41 PHE HA H 41 4.384 5.647 -1.263 1
1 484 . 14 1 1 A 41 41 PHE CA C 41 58.704 55.653 3.051 1
1 485 . 14 1 1 A 41 41 PHE CB C 41 39.397 42.517 -3.120 1
1 486 . 14 1 1 A 41 41 PHE N N 41 121.124 115.577 5.547 1
1 487 . 14 1 1 A 42 42 ASN H H 42 8.311 8.729 -0.418 1
1 488 . 14 1 1 A 42 42 ASN HA H 42 4.523 4.778 -0.255 1
1 492 . 14 1 1 A 42 42 ASN CA C 42 53.133 52.243 0.890 1
1 493 . 14 1 1 A 42 42 ASN CB C 42 38.801 40.242 -1.441 1
1 494 . 14 1 1 A 42 42 ASN N N 42 120.181 117.545 2.636 1
1 496 . 14 1 1 A 43 43 ARG H H 43 8.133 8.436 -0.303 1
1 497 . 14 1 1 A 43 43 ARG HA H 43 4.115 4.407 -0.292 1
1 504 . 14 1 1 A 43 43 ARG CA C 43 57.051 55.031 2.020 1
1 505 . 14 1 1 A 43 43 ARG CB C 43 30.514 28.817 1.697 1
1 508 . 14 1 1 A 43 43 ARG N N 43 121.727 120.414 1.313 1
1 509 . 14 1 1 A 44 44 SER H H 44 8.174 8.325 -0.151 1
1 510 . 14 1 1 A 44 44 SER HA H 44 4.286 4.654 -0.368 1
1 513 . 14 1 1 A 44 44 SER CA C 44 59.344 59.220 0.124 1
1 514 . 14 1 1 A 44 44 SER CB C 44 63.357 65.578 -2.221 1
1 515 . 14 1 1 A 44 44 SER N N 44 115.718 120.219 -4.501 1
1 516 . 14 1 1 A 45 45 LYS H H 45 7.963 8.117 -0.154 1
1 517 . 14 1 1 A 45 45 LYS HA H 45 4.123 4.047 0.076 1
1 526 . 14 1 1 A 45 45 LYS CA C 45 56.866 59.001 -2.135 1
1 527 . 14 1 1 A 45 45 LYS CB C 45 32.777 32.598 0.179 1
1 530 . 14 1 1 A 45 45 LYS N N 45 122.326 120.467 1.859 1
1 531 . 14 1 1 A 46 46 ALA H H 46 7.965 7.674 0.291 1
1 532 . 14 1 1 A 46 46 ALA HA H 46 4.165 4.719 -0.554 1
1 536 . 14 1 1 A 46 46 ALA CA C 46 52.999 50.942 2.057 1
1 537 . 14 1 1 A 46 46 ALA CB C 46 18.944 22.705 -3.761 1
1 538 . 14 1 1 A 46 46 ALA N N 46 123.536 118.766 4.770 1
1 539 . 14 1 1 A 47 47 LEU H H 47 7.898 8.658 -0.760 1
1 540 . 14 1 1 A 47 47 LEU HA H 47 4.158 4.709 -0.551 1
1 550 . 14 1 1 A 47 47 LEU CA C 47 55.583 53.570 2.013 1
1 551 . 14 1 1 A 47 47 LEU CB C 47 42.404 42.323 0.081 1
1 555 . 14 1 1 A 47 47 LEU N N 47 119.914 119.677 0.237 1
1 556 . 14 1 1 A 48 48 PHE H H 48 7.981 8.137 -0.156 1
1 557 . 14 1 1 A 48 48 PHE HA H 48 4.539 4.571 -0.032 1
1 564 . 14 1 1 A 48 48 PHE CA C 48 58.033 58.136 -0.103 1
1 565 . 14 1 1 A 48 48 PHE CB C 48 39.470 37.410 2.060 1
1 566 . 14 1 1 A 48 48 PHE N N 48 119.602 118.029 1.573 1
1 567 . 14 1 1 A 49 49 SER H H 49 8.028 8.748 -0.720 1
1 568 . 14 1 1 A 49 49 SER HA H 49 4.332 4.547 -0.215 1
1 571 . 14 1 1 A 49 49 SER CA C 49 58.581 57.804 0.777 1
1 572 . 14 1 1 A 49 49 SER CB C 49 63.866 63.677 0.189 1
1 573 . 14 1 1 A 49 49 SER N N 49 116.270 117.151 -0.881 1
1 574 . 14 1 1 A 50 50 GLN H H 50 8.266 8.945 -0.679 1
1 575 . 14 1 1 A 50 50 GLN HA H 50 4.257 4.052 0.205 1
1 582 . 14 1 1 A 50 50 GLN CA C 50 56.435 58.477 -2.042 1
1 583 . 14 1 1 A 50 50 GLN CB C 50 29.204 27.584 1.620 1
1 585 . 14 1 1 A 50 50 GLN N N 50 121.931 126.324 -4.393 1
1 587 . 14 1 1 A 51 51 SER H H 51 8.147 8.425 -0.278 1
1 588 . 14 1 1 A 51 51 SER HA H 51 4.338 4.758 -0.420 1
1 591 . 14 1 1 A 51 51 SER CA C 51 58.645 56.695 1.950 1
1 592 . 14 1 1 A 51 51 SER CB C 51 63.784 63.380 0.404 1
1 593 . 14 1 1 A 51 51 SER N N 51 115.676 113.956 1.720 1
1 594 . 14 1 1 A 52 52 ALA H H 52 8.175 8.397 -0.222 1
1 595 . 14 1 1 A 52 52 ALA HA H 52 4.265 4.085 0.180 1
1 599 . 14 1 1 A 52 52 ALA CA C 52 53.031 55.435 -2.404 1
1 600 . 14 1 1 A 52 52 ALA CB C 52 18.941 19.269 -0.328 1
1 601 . 14 1 1 A 52 52 ALA N N 52 125.360 128.268 -2.908 1
1 602 . 14 1 1 A 53 53 ILE H H 53 7.870 8.097 -0.227 1
1 603 . 14 1 1 A 53 53 ILE HA H 53 4.099 4.361 -0.262 1
1 613 . 14 1 1 A 53 53 ILE CA C 53 61.558 60.846 0.712 1
1 614 . 14 1 1 A 53 53 ILE CB C 53 38.851 39.180 -0.329 1
1 618 . 14 1 1 A 53 53 ILE N N 53 118.231 117.570 0.661 1
1 619 . 14 1 1 A 54 54 SER H H 54 8.159 8.657 -0.498 1
1 620 . 14 1 1 A 54 54 SER HA H 54 4.384 4.544 -0.160 1
1 623 . 14 1 1 A 54 54 SER CA C 54 58.551 58.061 0.490 1
1 624 . 14 1 1 A 54 54 SER CB C 54 63.964 63.076 0.888 1
1 625 . 14 1 1 A 54 54 SER N N 54 118.588 123.576 -4.988 1
1 626 . 14 1 1 A 55 55 GLN H H 55 8.301 8.304 -0.003 1
1 627 . 14 1 1 A 55 55 GLN HA H 55 4.214 4.129 0.085 1
1 634 . 14 1 1 A 55 55 GLN CA C 55 56.547 58.990 -2.443 1
1 635 . 14 1 1 A 55 55 GLN CB C 55 29.292 28.181 1.111 1
1 637 . 14 1 1 A 55 55 GLN N N 55 122.173 127.152 -4.979 1
1 639 . 14 1 1 A 56 56 LYS H H 56 8.163 8.606 -0.443 1
1 640 . 14 1 1 A 56 56 LYS HA H 56 4.177 4.122 0.055 1
1 647 . 14 1 1 A 56 56 LYS CA C 56 56.978 59.327 -2.349 1
1 648 . 14 1 1 A 56 56 LYS CB C 56 32.855 32.096 0.759 1
1 651 . 14 1 1 A 56 56 LYS N N 56 121.126 118.382 2.744 1
1 652 . 14 1 1 A 57 57 GLU H H 57 8.211 7.872 0.339 1
1 653 . 14 1 1 A 57 57 GLU HA H 57 4.151 4.504 -0.353 1
1 658 . 14 1 1 A 57 57 GLU CA C 57 57.058 56.484 0.574 1
1 659 . 14 1 1 A 57 57 GLU CB C 57 30.211 32.462 -2.251 1
1 661 . 14 1 1 A 57 57 GLU N N 57 120.615 117.504 3.111 1
1 662 . 14 1 1 A 58 58 TYR H H 58 8.070 8.351 -0.281 1
1 663 . 14 1 1 A 58 58 TYR HA H 58 4.375 4.576 -0.201 1
1 670 . 14 1 1 A 58 58 TYR CA C 58 58.570 58.086 0.484 1
1 671 . 14 1 1 A 58 58 TYR CB C 58 38.962 36.987 1.975 1
1 672 . 14 1 1 A 58 58 TYR N N 58 120.822 119.817 1.005 1
1 673 . 14 1 1 A 59 59 ASP H H 59 8.146 8.700 -0.554 1
1 674 . 14 1 1 A 59 59 ASP HA H 59 4.492 4.852 -0.360 1
1 677 . 14 1 1 A 59 59 ASP CA C 59 54.396 52.019 2.377 1
1 678 . 14 1 1 A 59 59 ASP CB C 59 41.086 44.103 -3.017 1
1 679 . 14 1 1 A 59 59 ASP N N 59 122.551 122.978 -0.427 1
1 680 . 14 1 1 A 60 60 SER H H 60 8.253 9.010 -0.757 1
1 681 . 14 1 1 A 60 60 SER HA H 60 4.260 4.375 -0.115 1
1 684 . 14 1 1 A 60 60 SER CA C 60 59.533 60.775 -1.242 1
1 685 . 14 1 1 A 60 60 SER CB C 60 63.422 63.056 0.366 1
1 686 . 14 1 1 A 60 60 SER N N 60 117.657 119.407 -1.750 1
1 687 . 14 1 1 A 61 61 SER H H 61 8.344 8.063 0.281 1
1 688 . 14 1 1 A 61 61 SER HA H 61 4.307 4.160 0.147 1
1 691 . 14 1 1 A 61 61 SER CA C 61 59.755 62.457 -2.702 1
1 692 . 14 1 1 A 61 61 SER CB C 61 63.582 63.012 0.570 1
1 693 . 14 1 1 A 61 61 SER N N 61 118.129 118.689 -0.560 1
1 694 . 14 1 1 A 62 62 LEU H H 62 7.759 7.360 0.399 1
1 695 . 14 1 1 A 62 62 LEU HA H 62 4.234 4.216 0.018 1
1 705 . 14 1 1 A 62 62 LEU CA C 62 55.464 57.492 -2.028 1
1 706 . 14 1 1 A 62 62 LEU CB C 62 42.238 41.551 0.687 1
1 710 . 14 1 1 A 62 62 LEU N N 62 122.627 117.030 5.597 1
1 711 . 14 1 1 A 63 63 ALA H H 63 7.919 7.690 0.229 1
1 712 . 14 1 1 A 63 63 ALA HA H 63 4.276 4.266 0.010 1
1 716 . 14 1 1 A 63 63 ALA CA C 63 52.922 52.249 0.673 1
1 717 . 14 1 1 A 63 63 ALA CB C 63 19.221 19.252 -0.031 1
1 718 . 14 1 1 A 63 63 ALA N N 63 123.444 122.879 0.565 1
1 719 . 14 1 1 A 64 64 THR H H 64 7.890 8.962 -1.072 1
1 720 . 14 1 1 A 64 64 THR HA H 64 4.217 4.999 -0.782 1
1 725 . 14 1 1 A 64 64 THR CA C 64 61.787 61.763 0.024 1
1 726 . 14 1 1 A 64 64 THR CB C 64 69.719 70.811 -1.092 1
1 728 . 14 1 1 A 64 64 THR N N 64 112.279 117.517 -5.238 1
1 729 . 14 1 1 A 65 65 LEU H H 65 8.009 8.435 -0.426 1
1 730 . 14 1 1 A 65 65 LEU HA H 65 4.295 4.639 -0.344 1
1 740 . 14 1 1 A 65 65 LEU CA C 65 55.345 53.566 1.779 1
1 741 . 14 1 1 A 65 65 LEU CB C 65 42.412 42.337 0.075 1
1 745 . 14 1 1 A 65 65 LEU N N 65 123.586 127.732 -4.146 1
1 746 . 14 1 1 A 66 66 ASP H H 66 8.288 7.717 0.571 1
1 747 . 14 1 1 A 66 66 ASP HA H 66 4.564 4.276 0.288 1
1 750 . 14 1 1 A 66 66 ASP CA C 66 54.676 54.851 -0.175 1
1 751 . 14 1 1 A 66 66 ASP CB C 66 41.376 39.708 1.668 1
1 752 . 14 1 1 A 66 66 ASP N N 66 120.344 116.227 4.117 1
1 753 . 14 1 1 A 67 67 HIS H H 67 8.058 8.735 -0.677 1
1 754 . 14 1 1 A 67 67 HIS HA H 67 5.247 4.903 0.344 1
1 758 . 14 1 1 A 67 67 HIS CA C 67 55.260 54.929 0.331 1
1 759 . 14 1 1 A 67 67 HIS CB C 67 31.974 33.445 -1.471 1
1 760 . 14 1 1 A 67 67 HIS N N 67 119.406 121.613 -2.207 1
1 761 . 14 1 1 A 68 68 THR H H 68 8.919 8.974 -0.055 1
1 762 . 14 1 1 A 68 68 THR HA H 68 4.484 4.753 -0.269 1
1 767 . 14 1 1 A 68 68 THR CA C 68 62.542 62.143 0.399 1
1 768 . 14 1 1 A 68 68 THR CB C 68 71.067 68.807 2.260 1
1 770 . 14 1 1 A 68 68 THR N N 68 117.233 118.163 -0.930 1
1 771 . 14 1 1 A 69 69 GLU H H 69 8.649 8.800 -0.151 1
1 772 . 14 1 1 A 69 69 GLU HA H 69 4.703 4.585 0.118 1
1 777 . 14 1 1 A 69 69 GLU CA C 69 55.886 56.487 -0.601 1
1 778 . 14 1 1 A 69 69 GLU CB C 69 31.746 30.393 1.353 1
1 780 . 14 1 1 A 69 69 GLU N N 69 124.187 126.301 -2.114 1
1 781 . 14 1 1 A 70 70 ILE H H 70 8.601 9.209 -0.608 1
1 782 . 14 1 1 A 70 70 ILE HA H 70 4.405 4.498 -0.093 1
1 792 . 14 1 1 A 70 70 ILE CA C 70 59.234 60.522 -1.288 1
1 793 . 14 1 1 A 70 70 ILE CB C 70 37.318 38.135 -0.817 1
1 797 . 14 1 1 A 70 70 ILE N N 70 123.482 125.648 -2.166 1
1 798 . 14 1 1 A 71 71 LYS H H 71 8.926 8.513 0.413 1
1 799 . 14 1 1 A 71 71 LYS HA H 71 5.078 4.943 0.135 1
1 806 . 14 1 1 A 71 71 LYS CA C 71 54.584 55.626 -1.042 1
1 807 . 14 1 1 A 71 71 LYS CB C 71 36.281 33.670 2.611 1
1 810 . 14 1 1 A 71 71 LYS N N 71 128.267 126.124 2.143 1
1 811 . 14 1 1 A 72 72 ALA H H 72 8.633 8.829 -0.196 1
1 812 . 14 1 1 A 72 72 ALA HA H 72 4.067 4.407 -0.340 1
1 816 . 14 1 1 A 72 72 ALA CA C 72 49.967 50.600 -0.633 1
1 817 . 14 1 1 A 72 72 ALA CB C 72 17.255 17.925 -0.670 1
1 818 . 14 1 1 A 72 72 ALA N N 72 123.088 123.724 -0.636 1
1 819 . 14 1 1 A 73 73 PRO HA H 73 4.333 4.419 -0.086 1
1 826 . 14 1 1 A 73 73 PRO CA C 73 63.716 64.602 -0.886 1
1 827 . 14 1 1 A 73 73 PRO CB C 73 31.915 32.048 -0.133 1
1 830 . 14 1 1 A 74 74 PHE H H 74 6.768 6.824 -0.056 1
1 831 . 14 1 1 A 74 74 PHE HA H 74 4.421 4.966 -0.545 1
1 838 . 14 1 1 A 74 74 PHE CA C 74 54.396 56.063 -1.667 1
1 839 . 14 1 1 A 74 74 PHE CB C 74 40.697 40.907 -0.210 1
1 840 . 14 1 1 A 74 74 PHE N N 74 112.022 112.033 -0.011 1
1 841 . 14 1 1 A 75 75 ASP H H 75 8.583 8.874 -0.291 1
1 842 . 14 1 1 A 75 75 ASP HA H 75 4.922 4.698 0.224 1
1 845 . 14 1 1 A 75 75 ASP CA C 75 53.873 53.943 -0.070 1
1 846 . 14 1 1 A 75 75 ASP CB C 75 40.839 42.181 -1.342 1
1 847 . 14 1 1 A 75 75 ASP N N 75 118.252 120.368 -2.116 1
1 848 . 14 1 1 A 76 76 GLY H H 76 8.348 8.370 -0.022 1
1 849 . 14 1 1 A 76 76 GLY HA2 H 76 4.236 4.169 0.067 1
1 850 . 14 1 1 A 76 76 GLY HA3 H 76 4.075 4.216 -0.141 1
1 851 . 14 1 1 A 76 76 GLY CA C 76 46.639 44.135 2.504 1
1 852 . 14 1 1 A 76 76 GLY N N 76 108.729 106.969 1.760 1
1 853 . 14 1 1 A 77 77 THR H H 77 8.623 8.310 0.313 1
1 854 . 14 1 1 A 77 77 THR HA H 77 4.975 5.045 -0.070 1
1 859 . 14 1 1 A 77 77 THR CA C 77 61.752 62.519 -0.767 1
1 860 . 14 1 1 A 77 77 THR CB C 77 70.121 70.312 -0.191 1
1 862 . 14 1 1 A 77 77 THR N N 77 116.400 116.100 0.300 1
1 863 . 14 1 1 A 78 78 ILE H H 78 8.824 8.669 0.155 1
1 864 . 14 1 1 A 78 78 ILE HA H 78 4.673 4.995 -0.322 1
1 874 . 14 1 1 A 78 78 ILE CA C 78 60.164 59.487 0.677 1
1 875 . 14 1 1 A 78 78 ILE CB C 78 42.973 41.097 1.876 1
1 879 . 14 1 1 A 78 78 ILE N N 78 129.310 128.537 0.773 1
1 880 . 14 1 1 A 79 79 GLY H H 79 8.060 8.959 -0.899 1
1 881 . 14 1 1 A 79 79 GLY HA2 H 79 4.404 4.145 0.259 1
1 882 . 14 1 1 A 79 79 GLY HA3 H 79 3.775 4.148 -0.373 1
1 883 . 14 1 1 A 79 79 GLY CA C 79 44.149 44.621 -0.472 1
1 884 . 14 1 1 A 79 79 GLY N N 79 114.539 115.729 -1.190 1
1 885 . 14 1 1 A 80 80 ASP H H 80 7.804 8.508 -0.704 1
1 886 . 14 1 1 A 80 80 ASP HA H 80 4.703 5.145 -0.442 1
1 889 . 14 1 1 A 80 80 ASP CA C 80 53.703 52.967 0.736 1
1 890 . 14 1 1 A 80 80 ASP CB C 80 41.918 42.254 -0.336 1
1 891 . 14 1 1 A 80 80 ASP N N 80 113.688 118.809 -5.121 1
1 892 . 14 1 1 A 81 81 ALA H H 81 8.566 8.970 -0.404 1
1 893 . 14 1 1 A 81 81 ALA HA H 81 4.571 4.901 -0.330 1
1 897 . 14 1 1 A 81 81 ALA CA C 81 53.312 52.400 0.912 1
1 898 . 14 1 1 A 81 81 ALA CB C 81 20.381 20.731 -0.350 1
1 899 . 14 1 1 A 81 81 ALA N N 81 124.136 124.436 -0.300 1
1 900 . 14 1 1 A 82 82 LEU H H 82 8.747 8.881 -0.134 1
1 901 . 14 1 1 A 82 82 LEU HA H 82 4.345 4.500 -0.155 1
1 910 . 14 1 1 A 82 82 LEU CA C 82 55.210 55.819 -0.609 1
1 911 . 14 1 1 A 82 82 LEU CB C 82 41.457 43.788 -2.331 1
1 914 . 14 1 1 A 82 82 LEU N N 82 121.773 119.095 2.678 1
1 915 . 14 1 1 A 83 83 VAL H H 83 7.141 7.474 -0.333 1
1 916 . 14 1 1 A 83 83 VAL HA H 83 4.496 4.616 -0.120 1
1 924 . 14 1 1 A 83 83 VAL CA C 83 58.502 59.958 -1.456 1
1 925 . 14 1 1 A 83 83 VAL CB C 83 35.229 33.971 1.258 1
1 928 . 14 1 1 A 83 83 VAL N N 83 108.169 114.738 -6.569 1
1 929 . 14 1 1 A 84 84 ASN H H 84 9.076 9.084 -0.008 1
1 930 . 14 1 1 A 84 84 ASN HA H 84 4.887 5.213 -0.326 1
1 935 . 14 1 1 A 84 84 ASN CA C 84 51.248 51.985 -0.737 1
1 936 . 14 1 1 A 84 84 ASN CB C 84 41.989 41.324 0.665 1
1 937 . 14 1 1 A 84 84 ASN N N 84 119.502 119.779 -0.277 1
1 939 . 14 1 1 A 85 85 ILE H H 85 8.404 8.441 -0.037 1
1 940 . 14 1 1 A 85 85 ILE HA H 85 3.393 3.881 -0.488 1
1 950 . 14 1 1 A 85 85 ILE CA C 85 63.873 63.382 0.491 1
1 951 . 14 1 1 A 85 85 ILE CB C 85 37.146 38.451 -1.305 1
1 955 . 14 1 1 A 85 85 ILE N N 85 119.409 121.421 -2.012 1
1 956 . 14 1 1 A 86 86 GLY H H 86 9.239 8.717 0.522 1
1 957 . 14 1 1 A 86 86 GLY HA2 H 86 4.401 3.881 0.520 1
1 958 . 14 1 1 A 86 86 GLY HA3 H 86 3.411 3.886 -0.475 1
1 959 . 14 1 1 A 86 86 GLY CA C 86 44.869 46.126 -1.257 1
1 960 . 14 1 1 A 86 86 GLY N N 86 117.321 115.054 2.267 1
1 961 . 14 1 1 A 87 87 ASP H H 87 7.968 8.158 -0.190 1
1 962 . 14 1 1 A 87 87 ASP HA H 87 4.607 4.889 -0.282 1
1 965 . 14 1 1 A 87 87 ASP CA C 87 54.886 53.361 1.525 1
1 966 . 14 1 1 A 87 87 ASP CB C 87 40.771 42.396 -1.625 1
1 967 . 14 1 1 A 87 87 ASP N N 87 121.490 121.197 0.293 1
1 968 . 14 1 1 A 88 88 TYR H H 88 8.566 9.019 -0.453 1
1 969 . 14 1 1 A 88 88 TYR HA H 88 4.712 4.788 -0.076 1
1 976 . 14 1 1 A 88 88 TYR CA C 88 57.826 59.706 -1.880 1
1 977 . 14 1 1 A 88 88 TYR CB C 88 39.243 39.306 -0.063 1
1 978 . 14 1 1 A 88 88 TYR N N 88 122.340 126.703 -4.363 1
1 979 . 14 1 1 A 89 89 VAL H H 89 8.951 8.264 0.687 1
1 980 . 14 1 1 A 89 89 VAL HA H 89 4.578 4.730 -0.152 1
1 988 . 14 1 1 A 89 89 VAL CA C 89 58.339 59.120 -0.781 1
1 989 . 14 1 1 A 89 89 VAL CB C 89 34.321 35.773 -1.452 1
1 992 . 14 1 1 A 89 89 VAL N N 89 121.914 120.965 0.949 1
1 993 . 14 1 1 A 90 90 SER H H 90 8.777 8.512 0.265 1
1 994 . 14 1 1 A 90 90 SER HA H 90 4.750 4.385 0.365 1
1 997 . 14 1 1 A 90 90 SER CA C 90 56.895 57.385 -0.490 1
1 998 . 14 1 1 A 90 90 SER CB C 90 64.866 65.121 -0.255 1
1 999 . 14 1 1 A 90 90 SER N N 90 114.813 118.735 -3.922 1
1 1000 . 14 1 1 A 91 91 ALA H H 91 8.712 8.593 0.119 1
1 1001 . 14 1 1 A 91 91 ALA HA H 91 3.515 4.357 -0.842 1
1 1005 . 14 1 1 A 91 91 ALA CA C 91 53.317 51.118 2.199 1
1 1006 . 14 1 1 A 91 91 ALA CB C 91 18.678 19.871 -1.193 1
1 1007 . 14 1 1 A 91 91 ALA N N 91 129.870 123.780 6.090 1
1 1008 . 14 1 1 A 92 92 SER H H 92 9.170 8.691 0.479 1
1 1009 . 14 1 1 A 92 92 SER HA H 92 3.817 4.072 -0.255 1
1 1012 . 14 1 1 A 92 92 SER CA C 92 60.652 60.888 -0.236 1
1 1013 . 14 1 1 A 92 92 SER CB C 92 62.505 62.801 -0.296 1
1 1014 . 14 1 1 A 92 92 SER N N 92 113.294 112.775 0.519 1
1 1015 . 14 1 1 A 93 93 THR H H 93 7.816 7.693 0.123 1
1 1016 . 14 1 1 A 93 93 THR HA H 93 4.402 4.067 0.335 1
1 1021 . 14 1 1 A 93 93 THR CA C 93 64.378 65.968 -1.590 1
1 1022 . 14 1 1 A 93 93 THR CB C 93 70.948 68.660 2.288 1
1 1024 . 14 1 1 A 93 93 THR N N 93 113.858 115.111 -1.253 1
1 1025 . 14 1 1 A 94 94 THR H H 94 7.702 7.920 -0.218 1
1 1026 . 14 1 1 A 94 94 THR HA H 94 3.910 4.338 -0.428 1
1 1031 . 14 1 1 A 94 94 THR CA C 94 65.140 61.436 3.704 1
1 1032 . 14 1 1 A 94 94 THR CB C 94 70.001 68.782 1.219 1
1 1034 . 14 1 1 A 94 94 THR N N 94 119.588 117.139 2.449 1
1 1035 . 14 1 1 A 95 95 GLU H H 95 8.407 8.442 -0.035 1
1 1036 . 14 1 1 A 95 95 GLU HA H 95 3.801 4.656 -0.855 1
1 1041 . 14 1 1 A 95 95 GLU CA C 95 56.613 55.579 1.034 1
1 1042 . 14 1 1 A 95 95 GLU CB C 95 29.600 30.302 -0.702 1
1 1044 . 14 1 1 A 95 95 GLU N N 95 124.764 127.539 -2.775 1
1 1045 . 14 1 1 A 96 96 LEU H H 96 8.750 8.499 0.251 1
1 1046 . 14 1 1 A 96 96 LEU HA H 96 4.260 4.207 0.053 1
1 1056 . 14 1 1 A 96 96 LEU CA C 96 56.927 55.974 0.953 1
1 1057 . 14 1 1 A 96 96 LEU CB C 96 43.310 41.771 1.539 1
1 1061 . 14 1 1 A 96 96 LEU N N 96 120.035 124.147 -4.112 1
1 1062 . 14 1 1 A 97 97 VAL H H 97 7.053 7.830 -0.777 1
1 1063 . 14 1 1 A 97 97 VAL HA H 97 4.345 4.745 -0.400 1
1 1071 . 14 1 1 A 97 97 VAL CA C 97 61.291 59.581 1.710 1
1 1072 . 14 1 1 A 97 97 VAL CB C 97 31.577 35.850 -4.273 1
1 1075 . 14 1 1 A 97 97 VAL N N 97 112.365 115.774 -3.409 1
1 1076 . 14 1 1 A 98 98 ARG H H 98 8.980 8.803 0.177 1
1 1077 . 14 1 1 A 98 98 ARG HA H 98 5.267 5.015 0.252 1
1 1084 . 14 1 1 A 98 98 ARG CA C 98 55.195 54.252 0.943 1
1 1085 . 14 1 1 A 98 98 ARG CB C 98 32.818 33.899 -1.081 1
1 1088 . 14 1 1 A 98 98 ARG N N 98 127.477 124.378 3.099 1
1 1089 . 14 1 1 A 99 99 VAL H H 99 8.887 8.876 0.011 1
1 1090 . 14 1 1 A 99 99 VAL HA H 99 4.556 4.808 -0.252 1
1 1095 . 14 1 1 A 99 99 VAL CA C 99 60.968 61.192 -0.224 1
1 1096 . 14 1 1 A 99 99 VAL CB C 99 34.186 33.192 0.994 1
1 1098 . 14 1 1 A 99 99 VAL N N 99 122.826 122.950 -0.124 1
1 1099 . 14 1 1 A 100 100 THR H H 100 8.833 8.977 -0.144 1
1 1100 . 14 1 1 A 100 100 THR HA H 100 4.559 5.017 -0.458 1
1 1105 . 14 1 1 A 100 100 THR CA C 100 61.080 59.758 1.322 1
1 1106 . 14 1 1 A 100 100 THR CB C 100 70.669 72.022 -1.353 1
1 1108 . 14 1 1 A 100 100 THR N N 100 121.816 119.988 1.828 1
1 1109 . 14 1 1 A 101 101 ASN H H 101 8.153 8.842 -0.689 1
1 1110 . 14 1 1 A 101 101 ASN HA H 101 4.518 4.510 0.008 1
1 1115 . 14 1 1 A 101 101 ASN CA C 101 54.238 54.281 -0.043 1
1 1116 . 14 1 1 A 101 101 ASN CB C 101 38.470 37.713 0.757 1
1 1117 . 14 1 1 A 101 101 ASN N N 101 122.733 124.590 -1.857 1
1 1119 . 14 1 1 A 102 102 LEU H H 102 8.160 8.257 -0.097 1
1 1120 . 14 1 1 A 102 102 LEU HA H 102 4.245 4.610 -0.365 1
1 1130 . 14 1 1 A 102 102 LEU CA C 102 55.449 55.627 -0.178 1
1 1131 . 14 1 1 A 102 102 LEU CB C 102 42.549 43.766 -1.217 1
1 1135 . 14 1 1 A 102 102 LEU N N 102 122.544 120.958 1.586 1
1 1136 . 14 1 1 A 103 103 ASN H H 103 8.405 8.210 0.195 1
1 1137 . 14 1 1 A 103 103 ASN HA H 103 4.867 5.068 -0.201 1
1 1142 . 14 1 1 A 103 103 ASN CA C 103 51.316 50.474 0.842 1
1 1143 . 14 1 1 A 103 103 ASN CB C 103 39.049 39.066 -0.017 1
1 1144 . 14 1 1 A 103 103 ASN N N 103 120.174 116.057 4.117 1
1 1146 . 14 1 1 A 104 104 PRO HA H 104 4.230 4.788 -0.558 1
1 1153 . 14 1 1 A 104 104 PRO CA C 104 63.559 62.575 0.984 1
1 1154 . 14 1 1 A 104 104 PRO CB C 104 32.102 30.422 1.680 1
1 1157 . 14 1 1 A 105 105 ILE H H 105 7.886 8.196 -0.310 1
1 1158 . 14 1 1 A 105 105 ILE HA H 105 3.941 4.322 -0.381 1
1 1168 . 14 1 1 A 105 105 ILE CA C 105 61.348 60.806 0.542 1
1 1169 . 14 1 1 A 105 105 ILE CB C 105 38.569 38.961 -0.392 1
1 1173 . 14 1 1 A 105 105 ILE N N 105 119.390 124.044 -4.654 1
1 1174 . 14 1 1 A 106 106 TYR H H 106 7.961 8.266 -0.305 1
1 1175 . 14 1 1 A 106 106 TYR HA H 106 4.536 5.006 -0.470 1
1 1182 . 14 1 1 A 106 106 TYR CA C 106 57.370 55.982 1.388 1
1 1183 . 14 1 1 A 106 106 TYR CB C 106 38.889 37.918 0.971 1
1 1184 . 14 1 1 A 106 106 TYR N N 106 123.172 121.797 1.375 1
1 1185 . 14 1 1 A 107 107 ALA H H 107 8.128 8.174 -0.046 1
1 1186 . 14 1 1 A 107 107 ALA HA H 107 4.217 4.418 -0.201 1
1 1190 . 14 1 1 A 107 107 ALA CA C 107 52.724 53.052 -0.328 1
1 1191 . 14 1 1 A 107 107 ALA CB C 107 19.133 19.687 -0.554 1
1 1192 . 14 1 1 A 107 107 ALA N N 107 125.520 122.345 3.175 1
1 1193 . 14 1 1 A 108 108 ASP H H 108 8.147 8.204 -0.057 1
1 1194 . 14 1 1 A 108 108 ASP HA H 108 4.511 4.280 0.231 1
1 1197 . 14 1 1 A 108 108 ASP CA C 108 54.342 54.856 -0.514 1
1 1198 . 14 1 1 A 108 108 ASP CB C 108 41.240 39.303 1.937 1
1 1199 . 14 1 1 A 108 108 ASP N N 108 119.219 117.976 1.243 1
1 1200 . 14 1 1 A 109 109 GLY H H 109 8.313 8.352 -0.039 1
1 1201 . 14 1 1 A 109 109 GLY HA2 H 109 3.946 4.193 -0.247 1
1 1202 . 14 1 1 A 109 109 GLY HA3 H 109 3.848 4.238 -0.390 1
1 1203 . 14 1 1 A 109 109 GLY CA C 109 45.692 45.808 -0.116 1
1 1204 . 14 1 1 A 109 109 GLY N N 109 109.478 112.701 -3.223 1
1 1205 . 14 1 1 A 110 110 SER H H 110 8.175 8.713 -0.538 1
1 1206 . 14 1 1 A 110 110 SER HA H 110 4.286 4.283 0.003 1
1 1209 . 14 1 1 A 110 110 SER CA C 110 59.296 62.911 -3.615 1
1 1210 . 14 1 1 A 110 110 SER CB C 110 63.825 63.743 0.082 1
1 1211 . 14 1 1 A 110 110 SER N N 110 115.660 117.611 -1.951 1
1 1212 . 14 1 1 A 111 111 HIS HA H 111 4.527 4.135 0.392 1
1 1215 . 14 1 1 A 111 111 HIS CA C 111 56.109 58.595 -2.486 1
1 1216 . 14 1 1 A 111 111 HIS CB C 111 30.580 28.507 2.073 1
1 1217 . 14 1 1 A 112 112 HIS HA H 112 4.535 4.424 0.111 1
1 1220 . 14 1 1 A 112 112 HIS CA C 112 57.411 56.674 0.737 1
1 1221 . 14 1 1 A 112 112 HIS CB C 112 30.756 29.869 0.887 1
1 2 . 15 1 1 A 2 2 VAL H H 2 8.613 7.205 1.408 1
1 3 . 15 1 1 A 2 2 VAL HA H 2 4.487 4.799 -0.312 1
1 11 . 15 1 1 A 2 2 VAL CA C 2 61.103 60.573 0.530 1
1 12 . 15 1 1 A 2 2 VAL CB C 2 35.731 36.365 -0.634 1
1 15 . 15 1 1 A 2 2 VAL N N 2 117.956 117.883 0.073 1
1 16 . 15 1 1 A 3 3 ILE H H 3 8.439 8.669 -0.230 1
1 17 . 15 1 1 A 3 3 ILE HA H 3 4.498 4.634 -0.136 1
1 27 . 15 1 1 A 3 3 ILE CA C 3 60.172 60.237 -0.065 1
1 28 . 15 1 1 A 3 3 ILE CB C 3 38.528 39.769 -1.241 1
1 32 . 15 1 1 A 3 3 ILE N N 3 125.643 126.507 -0.864 1
1 33 . 15 1 1 A 4 4 ILE H H 4 8.543 8.420 0.123 1
1 34 . 15 1 1 A 4 4 ILE HA H 4 4.005 4.808 -0.803 1
1 44 . 15 1 1 A 4 4 ILE CA C 4 61.550 59.721 1.829 1
1 45 . 15 1 1 A 4 4 ILE CB C 4 38.038 38.511 -0.473 1
1 49 . 15 1 1 A 4 4 ILE N N 4 127.460 126.371 1.089 1
1 50 . 15 1 1 A 5 5 LYS H H 5 8.292 8.578 -0.286 1
1 51 . 15 1 1 A 5 5 LYS HA H 5 5.173 4.827 0.346 1
1 60 . 15 1 1 A 5 5 LYS CA C 5 53.276 53.260 0.016 1
1 61 . 15 1 1 A 5 5 LYS CB C 5 33.713 35.241 -1.528 1
1 65 . 15 1 1 A 5 5 LYS N N 5 126.677 125.923 0.754 1
1 66 . 15 1 1 A 6 6 PRO HA H 6 4.383 4.331 0.052 1
1 73 . 15 1 1 A 6 6 PRO CA C 6 62.444 63.961 -1.517 1
1 74 . 15 1 1 A 6 6 PRO CB C 6 32.018 32.002 0.016 1
1 77 . 15 1 1 A 7 7 GLN H H 7 9.359 7.667 1.692 1
1 78 . 15 1 1 A 7 7 GLN HA H 7 4.406 4.221 0.185 1
1 85 . 15 1 1 A 7 7 GLN CA C 7 56.357 57.765 -1.408 1
1 86 . 15 1 1 A 7 7 GLN CB C 7 28.784 28.492 0.292 1
1 88 . 15 1 1 A 7 7 GLN N N 7 119.975 118.928 1.047 1
1 90 . 15 1 1 A 8 8 VAL H H 8 7.032 8.151 -1.119 1
1 91 . 15 1 1 A 8 8 VAL HA H 8 4.486 4.726 -0.240 1
1 99 . 15 1 1 A 8 8 VAL CA C 8 58.874 59.343 -0.469 1
1 100 . 15 1 1 A 8 8 VAL CB C 8 35.169 34.854 0.315 1
1 103 . 15 1 1 A 8 8 VAL N N 8 111.122 115.034 -3.912 1
1 104 . 15 1 1 A 9 9 SER H H 9 8.210 8.416 -0.206 1
1 105 . 15 1 1 A 9 9 SER HA H 9 4.957 5.178 -0.221 1
1 108 . 15 1 1 A 9 9 SER CA C 9 56.585 57.573 -0.988 1
1 109 . 15 1 1 A 9 9 SER CB C 9 64.442 63.797 0.645 1
1 110 . 15 1 1 A 9 9 SER N N 9 115.043 118.460 -3.417 1
1 111 . 15 1 1 A 10 10 GLY H H 10 8.003 8.037 -0.034 1
1 112 . 15 1 1 A 10 10 GLY HA2 H 10 4.412 4.261 0.151 1
1 113 . 15 1 1 A 10 10 GLY HA3 H 10 3.645 4.308 -0.663 1
1 114 . 15 1 1 A 10 10 GLY CA C 10 45.292 45.878 -0.586 1
1 115 . 15 1 1 A 10 10 GLY N N 10 108.708 112.091 -3.383 1
1 116 . 15 1 1 A 11 11 VAL H H 11 8.006 8.054 -0.048 1
1 117 . 15 1 1 A 11 11 VAL HA H 11 4.743 4.902 -0.159 1
1 125 . 15 1 1 A 11 11 VAL CA C 11 60.539 60.306 0.233 1
1 126 . 15 1 1 A 11 11 VAL CB C 11 34.951 35.872 -0.921 1
1 129 . 15 1 1 A 11 11 VAL N N 11 118.308 120.271 -1.963 1
1 130 . 15 1 1 A 12 12 ILE H H 12 8.459 8.693 -0.234 1
1 131 . 15 1 1 A 12 12 ILE HA H 12 4.050 4.118 -0.068 1
1 141 . 15 1 1 A 12 12 ILE CA C 12 60.287 62.381 -2.094 1
1 142 . 15 1 1 A 12 12 ILE CB C 12 35.650 38.021 -2.371 1
1 146 . 15 1 1 A 12 12 ILE N N 12 125.265 125.911 -0.646 1
1 147 . 15 1 1 A 13 13 VAL H H 13 8.908 9.332 -0.424 1
1 148 . 15 1 1 A 13 13 VAL HA H 13 4.500 4.261 0.239 1
1 156 . 15 1 1 A 13 13 VAL CA C 13 62.126 63.442 -1.316 1
1 157 . 15 1 1 A 13 13 VAL CB C 13 33.291 33.438 -0.147 1
1 160 . 15 1 1 A 13 13 VAL N N 13 124.479 126.303 -1.824 1
1 161 . 15 1 1 A 14 14 ASN H H 14 7.653 7.240 0.413 1
1 162 . 15 1 1 A 14 14 ASN HA H 14 4.819 5.117 -0.298 1
1 167 . 15 1 1 A 14 14 ASN CA C 14 52.806 52.496 0.310 1
1 168 . 15 1 1 A 14 14 ASN CB C 14 41.978 42.015 -0.037 1
1 169 . 15 1 1 A 14 14 ASN N N 14 114.961 114.255 0.706 1
1 171 . 15 1 1 A 15 15 LYS H H 15 8.404 8.678 -0.274 1
1 172 . 15 1 1 A 15 15 LYS HA H 15 4.641 5.329 -0.688 1
1 179 . 15 1 1 A 15 15 LYS CA C 15 55.935 54.539 1.396 1
1 180 . 15 1 1 A 15 15 LYS CB C 15 35.274 35.135 0.139 1
1 183 . 15 1 1 A 15 15 LYS N N 15 123.768 119.174 4.594 1
1 184 . 15 1 1 A 16 16 LEU H H 16 8.020 9.517 -1.497 1
1 185 . 15 1 1 A 16 16 LEU HA H 16 4.611 4.463 0.148 1
1 195 . 15 1 1 A 16 16 LEU CA C 16 55.124 53.721 1.403 1
1 196 . 15 1 1 A 16 16 LEU CB C 16 41.308 40.619 0.689 1
1 200 . 15 1 1 A 16 16 LEU N N 16 126.162 126.045 0.117 1
1 201 . 15 1 1 A 17 17 PHE H H 17 6.573 7.186 -0.613 1
1 202 . 15 1 1 A 17 17 PHE HA H 17 4.862 5.014 -0.152 1
1 207 . 15 1 1 A 17 17 PHE CA C 17 55.528 55.736 -0.208 1
1 208 . 15 1 1 A 17 17 PHE CB C 17 41.093 40.833 0.260 1
1 209 . 15 1 1 A 17 17 PHE N N 17 113.628 115.678 -2.050 1
1 210 . 15 1 1 A 18 18 LYS H H 18 8.655 8.640 0.015 1
1 211 . 15 1 1 A 18 18 LYS HA H 18 4.333 4.962 -0.629 1
1 220 . 15 1 1 A 18 18 LYS CA C 18 54.277 54.429 -0.152 1
1 221 . 15 1 1 A 18 18 LYS CB C 18 35.134 35.639 -0.505 1
1 225 . 15 1 1 A 18 18 LYS N N 18 120.572 119.451 1.121 1
1 226 . 15 1 1 A 19 19 ALA H H 19 8.407 8.499 -0.092 1
1 227 . 15 1 1 A 19 19 ALA HA H 19 3.962 4.870 -0.908 1
1 231 . 15 1 1 A 19 19 ALA CA C 19 53.980 52.644 1.336 1
1 232 . 15 1 1 A 19 19 ALA CB C 19 18.497 19.356 -0.859 1
1 233 . 15 1 1 A 19 19 ALA N N 19 123.842 124.748 -0.906 1
1 234 . 15 1 1 A 20 20 GLY H H 20 8.814 8.655 0.159 1
1 235 . 15 1 1 A 20 20 GLY HA2 H 20 4.313 3.984 0.329 1
1 236 . 15 1 1 A 20 20 GLY HA3 H 20 3.532 3.995 -0.463 1
1 237 . 15 1 1 A 20 20 GLY CA C 20 45.045 45.089 -0.044 1
1 238 . 15 1 1 A 20 20 GLY N N 20 112.434 111.967 0.467 1
1 239 . 15 1 1 A 21 21 ASP H H 21 7.933 8.161 -0.228 1
1 240 . 15 1 1 A 21 21 ASP HA H 21 4.499 4.734 -0.235 1
1 243 . 15 1 1 A 21 21 ASP CA C 21 55.383 53.767 1.616 1
1 244 . 15 1 1 A 21 21 ASP CB C 21 41.067 42.739 -1.672 1
1 245 . 15 1 1 A 21 21 ASP N N 21 121.505 121.501 0.004 1
1 246 . 15 1 1 A 22 22 LYS H H 22 8.311 8.244 0.067 1
1 247 . 15 1 1 A 22 22 LYS HA H 22 4.871 5.165 -0.294 1
1 256 . 15 1 1 A 22 22 LYS CA C 22 55.659 54.401 1.258 1
1 257 . 15 1 1 A 22 22 LYS CB C 22 31.820 35.410 -3.590 1
1 261 . 15 1 1 A 22 22 LYS N N 22 120.225 119.158 1.067 1
1 262 . 15 1 1 A 23 23 VAL H H 23 8.935 8.762 0.173 1
1 263 . 15 1 1 A 23 23 VAL HA H 23 4.841 5.035 -0.194 1
1 271 . 15 1 1 A 23 23 VAL CA C 23 58.502 59.071 -0.569 1
1 272 . 15 1 1 A 23 23 VAL CB C 23 34.507 36.007 -1.500 1
1 275 . 15 1 1 A 23 23 VAL N N 23 117.700 118.523 -0.823 1
1 276 . 15 1 1 A 24 24 LYS H H 24 7.960 8.409 -0.449 1
1 277 . 15 1 1 A 24 24 LYS HA H 24 4.838 4.968 -0.130 1
1 286 . 15 1 1 A 24 24 LYS CA C 24 53.195 54.097 -0.902 1
1 287 . 15 1 1 A 24 24 LYS CB C 24 35.213 36.600 -1.387 1
1 291 . 15 1 1 A 24 24 LYS N N 24 121.958 120.163 1.795 1
1 292 . 15 1 1 A 25 25 LYS H H 25 8.915 8.431 0.484 1
1 293 . 15 1 1 A 25 25 LYS HA H 25 3.156 4.391 -1.235 1
1 300 . 15 1 1 A 25 25 LYS CA C 25 58.648 56.688 1.960 1
1 301 . 15 1 1 A 25 25 LYS CB C 25 32.648 31.175 1.473 1
1 304 . 15 1 1 A 25 25 LYS N N 25 121.653 121.272 0.381 1
1 305 . 15 1 1 A 26 26 GLY H H 26 8.900 8.674 0.226 1
1 306 . 15 1 1 A 26 26 GLY HA2 H 26 4.283 3.948 0.335 1
1 307 . 15 1 1 A 26 26 GLY HA3 H 26 3.471 3.952 -0.481 1
1 308 . 15 1 1 A 26 26 GLY CA C 26 45.263 44.950 0.313 1
1 309 . 15 1 1 A 26 26 GLY N N 26 115.268 113.292 1.976 1
1 310 . 15 1 1 A 27 27 GLN H H 27 8.433 7.910 0.523 1
1 311 . 15 1 1 A 27 27 GLN HA H 27 4.141 4.303 -0.162 1
1 318 . 15 1 1 A 27 27 GLN CA C 27 56.324 56.773 -0.449 1
1 319 . 15 1 1 A 27 27 GLN CB C 27 30.520 29.929 0.591 1
1 321 . 15 1 1 A 27 27 GLN N N 27 123.155 121.230 1.925 1
1 323 . 15 1 1 A 28 28 THR H H 28 9.110 8.794 0.316 1
1 324 . 15 1 1 A 28 28 THR HA H 28 3.893 4.325 -0.432 1
1 329 . 15 1 1 A 28 28 THR CA C 28 65.828 63.595 2.233 1
1 330 . 15 1 1 A 28 28 THR CB C 28 68.581 69.186 -0.605 1
1 332 . 15 1 1 A 28 28 THR N N 28 124.748 117.622 7.126 1
1 333 . 15 1 1 A 29 29 LEU H H 29 9.509 8.894 0.615 1
1 334 . 15 1 1 A 29 29 LEU HA H 29 4.383 4.636 -0.253 1
1 344 . 15 1 1 A 29 29 LEU CA C 29 55.795 55.930 -0.135 1
1 345 . 15 1 1 A 29 29 LEU CB C 29 44.572 43.990 0.582 1
1 349 . 15 1 1 A 29 29 LEU N N 29 125.873 126.890 -1.017 1
1 350 . 15 1 1 A 30 30 PHE H H 30 7.579 7.827 -0.248 1
1 351 . 15 1 1 A 30 30 PHE HA H 30 5.367 5.430 -0.063 1
1 359 . 15 1 1 A 30 30 PHE CA C 30 55.486 56.104 -0.618 1
1 360 . 15 1 1 A 30 30 PHE CB C 30 44.887 42.386 2.501 1
1 361 . 15 1 1 A 30 30 PHE N N 30 111.134 114.621 -3.487 1
1 362 . 15 1 1 A 31 31 ILE H H 31 7.858 8.657 -0.799 1
1 363 . 15 1 1 A 31 31 ILE HA H 31 4.817 4.891 -0.074 1
1 373 . 15 1 1 A 31 31 ILE CA C 31 60.063 61.003 -0.940 1
1 374 . 15 1 1 A 31 31 ILE CB C 31 39.395 40.594 -1.199 1
1 378 . 15 1 1 A 31 31 ILE N N 31 119.416 120.473 -1.057 1
1 379 . 15 1 1 A 32 32 ILE H H 32 9.107 8.830 0.277 1
1 380 . 15 1 1 A 32 32 ILE HA H 32 4.842 5.202 -0.360 1
1 390 . 15 1 1 A 32 32 ILE CA C 32 59.002 59.596 -0.594 1
1 391 . 15 1 1 A 32 32 ILE CB C 32 42.048 41.034 1.014 1
1 395 . 15 1 1 A 32 32 ILE N N 32 127.892 127.911 -0.019 1
1 396 . 15 1 1 A 33 33 GLU H H 33 9.095 8.545 0.550 1
1 397 . 15 1 1 A 33 33 GLU HA H 33 4.642 5.134 -0.492 1
1 402 . 15 1 1 A 33 33 GLU CA C 33 54.985 55.341 -0.356 1
1 403 . 15 1 1 A 33 33 GLU CB C 33 31.672 32.165 -0.493 1
1 405 . 15 1 1 A 33 33 GLU N N 33 128.157 123.737 4.420 1
1 406 . 15 1 1 A 34 34 GLN H H 34 8.725 8.539 0.186 1
1 407 . 15 1 1 A 34 34 GLN HA H 34 4.354 5.001 -0.647 1
1 414 . 15 1 1 A 34 34 GLN CA C 34 56.807 54.525 2.282 1
1 415 . 15 1 1 A 34 34 GLN CB C 34 30.119 31.999 -1.880 1
1 417 . 15 1 1 A 34 34 GLN N N 34 128.123 121.248 6.875 1
1 419 . 15 1 1 A 35 35 ASP H H 35 8.524 8.667 -0.143 1
1 420 . 15 1 1 A 35 35 ASP HA H 35 4.609 5.012 -0.403 1
1 423 . 15 1 1 A 35 35 ASP CA C 35 54.226 53.578 0.648 1
1 424 . 15 1 1 A 35 35 ASP CB C 35 41.429 41.842 -0.413 1
1 425 . 15 1 1 A 35 35 ASP N N 35 122.485 120.242 2.243 1
1 426 . 15 1 1 A 36 36 GLN H H 36 8.576 8.300 0.276 1
1 427 . 15 1 1 A 36 36 GLN HA H 36 4.041 4.330 -0.289 1
1 434 . 15 1 1 A 36 36 GLN CA C 36 56.662 57.876 -1.214 1
1 435 . 15 1 1 A 36 36 GLN CB C 36 29.166 28.762 0.404 1
1 437 . 15 1 1 A 36 36 GLN N N 36 123.321 119.864 3.457 1
1 439 . 15 1 1 A 37 37 ALA H H 37 8.322 8.020 0.302 1
1 440 . 15 1 1 A 37 37 ALA HA H 37 4.232 4.033 0.199 1
1 444 . 15 1 1 A 37 37 ALA CA C 37 53.231 54.681 -1.450 1
1 445 . 15 1 1 A 37 37 ALA CB C 37 19.020 19.468 -0.448 1
1 446 . 15 1 1 A 37 37 ALA N N 37 123.086 122.137 0.949 1
1 447 . 15 1 1 A 38 38 SER H H 38 7.919 7.584 0.335 1
1 448 . 15 1 1 A 38 38 SER HA H 38 4.283 4.652 -0.369 1
1 451 . 15 1 1 A 38 38 SER CA C 38 58.884 56.748 2.136 1
1 452 . 15 1 1 A 38 38 SER CB C 38 63.835 64.679 -0.844 1
1 453 . 15 1 1 A 38 38 SER N N 38 113.578 108.875 4.703 1
1 454 . 15 1 1 A 39 39 LYS H H 39 8.153 8.741 -0.588 1
1 455 . 15 1 1 A 39 39 LYS HA H 39 4.140 4.423 -0.283 1
1 463 . 15 1 1 A 39 39 LYS CA C 39 57.127 57.846 -0.719 1
1 464 . 15 1 1 A 39 39 LYS CB C 39 32.812 33.203 -0.391 1
1 468 . 15 1 1 A 39 39 LYS N N 39 122.651 122.608 0.043 1
1 469 . 15 1 1 A 40 40 ASP H H 40 8.100 7.985 0.115 1
1 470 . 15 1 1 A 40 40 ASP HA H 40 4.532 4.806 -0.274 1
1 473 . 15 1 1 A 40 40 ASP CA C 40 54.376 53.380 0.996 1
1 474 . 15 1 1 A 40 40 ASP CB C 40 41.245 40.307 0.938 1
1 475 . 15 1 1 A 40 40 ASP N N 40 119.441 117.328 2.113 1
1 476 . 15 1 1 A 41 41 PHE H H 41 7.924 7.739 0.185 1
1 477 . 15 1 1 A 41 41 PHE HA H 41 4.384 4.995 -0.611 1
1 484 . 15 1 1 A 41 41 PHE CA C 41 58.704 56.364 2.340 1
1 485 . 15 1 1 A 41 41 PHE CB C 41 39.397 40.192 -0.795 1
1 486 . 15 1 1 A 41 41 PHE N N 41 121.124 120.169 0.955 1
1 487 . 15 1 1 A 42 42 ASN H H 42 8.311 8.756 -0.445 1
1 488 . 15 1 1 A 42 42 ASN HA H 42 4.523 5.286 -0.763 1
1 492 . 15 1 1 A 42 42 ASN CA C 42 53.133 52.454 0.679 1
1 493 . 15 1 1 A 42 42 ASN CB C 42 38.801 41.188 -2.387 1
1 494 . 15 1 1 A 42 42 ASN N N 42 120.181 119.438 0.743 1
1 496 . 15 1 1 A 43 43 ARG H H 43 8.133 8.500 -0.367 1
1 497 . 15 1 1 A 43 43 ARG HA H 43 4.115 4.779 -0.664 1
1 504 . 15 1 1 A 43 43 ARG CA C 43 57.051 55.003 2.048 1
1 505 . 15 1 1 A 43 43 ARG CB C 43 30.514 30.989 -0.475 1
1 508 . 15 1 1 A 43 43 ARG N N 43 121.727 119.792 1.935 1
1 509 . 15 1 1 A 44 44 SER H H 44 8.174 8.474 -0.300 1
1 510 . 15 1 1 A 44 44 SER HA H 44 4.286 4.714 -0.428 1
1 513 . 15 1 1 A 44 44 SER CA C 44 59.344 56.643 2.701 1
1 514 . 15 1 1 A 44 44 SER CB C 44 63.357 63.092 0.265 1
1 515 . 15 1 1 A 44 44 SER N N 44 115.718 119.484 -3.766 1
1 516 . 15 1 1 A 45 45 LYS H H 45 7.963 8.009 -0.046 1
1 517 . 15 1 1 A 45 45 LYS HA H 45 4.123 4.070 0.053 1
1 526 . 15 1 1 A 45 45 LYS CA C 45 56.866 59.017 -2.151 1
1 527 . 15 1 1 A 45 45 LYS CB C 45 32.777 32.227 0.550 1
1 530 . 15 1 1 A 45 45 LYS N N 45 122.326 124.789 -2.463 1
1 531 . 15 1 1 A 46 46 ALA H H 46 7.965 7.382 0.583 1
1 532 . 15 1 1 A 46 46 ALA HA H 46 4.165 4.378 -0.213 1
1 536 . 15 1 1 A 46 46 ALA CA C 46 52.999 51.677 1.322 1
1 537 . 15 1 1 A 46 46 ALA CB C 46 18.944 21.724 -2.780 1
1 538 . 15 1 1 A 46 46 ALA N N 46 123.536 118.428 5.108 1
1 539 . 15 1 1 A 47 47 LEU H H 47 7.898 8.313 -0.415 1
1 540 . 15 1 1 A 47 47 LEU HA H 47 4.158 4.531 -0.373 1
1 550 . 15 1 1 A 47 47 LEU CA C 47 55.583 53.720 1.863 1
1 551 . 15 1 1 A 47 47 LEU CB C 47 42.404 43.454 -1.050 1
1 555 . 15 1 1 A 47 47 LEU N N 47 119.914 118.334 1.580 1
1 556 . 15 1 1 A 48 48 PHE H H 48 7.981 8.529 -0.548 1
1 557 . 15 1 1 A 48 48 PHE HA H 48 4.539 4.372 0.167 1
1 564 . 15 1 1 A 48 48 PHE CA C 48 58.033 58.755 -0.722 1
1 565 . 15 1 1 A 48 48 PHE CB C 48 39.470 36.726 2.744 1
1 566 . 15 1 1 A 48 48 PHE N N 48 119.602 123.793 -4.191 1
1 567 . 15 1 1 A 49 49 SER H H 49 8.028 7.820 0.208 1
1 568 . 15 1 1 A 49 49 SER HA H 49 4.332 4.403 -0.071 1
1 571 . 15 1 1 A 49 49 SER CA C 49 58.581 60.617 -2.036 1
1 572 . 15 1 1 A 49 49 SER CB C 49 63.866 63.367 0.499 1
1 573 . 15 1 1 A 49 49 SER N N 49 116.270 112.763 3.507 1
1 574 . 15 1 1 A 50 50 GLN H H 50 8.266 8.012 0.254 1
1 575 . 15 1 1 A 50 50 GLN HA H 50 4.257 4.684 -0.427 1
1 582 . 15 1 1 A 50 50 GLN CA C 50 56.435 54.936 1.499 1
1 583 . 15 1 1 A 50 50 GLN CB C 50 29.204 30.904 -1.700 1
1 585 . 15 1 1 A 50 50 GLN N N 50 121.931 119.698 2.233 1
1 587 . 15 1 1 A 51 51 SER H H 51 8.147 9.101 -0.954 1
1 588 . 15 1 1 A 51 51 SER HA H 51 4.338 4.274 0.064 1
1 591 . 15 1 1 A 51 51 SER CA C 51 58.645 59.259 -0.614 1
1 592 . 15 1 1 A 51 51 SER CB C 51 63.784 62.922 0.862 1
1 593 . 15 1 1 A 51 51 SER N N 51 115.676 121.379 -5.703 1
1 594 . 15 1 1 A 52 52 ALA H H 52 8.175 8.080 0.095 1
1 595 . 15 1 1 A 52 52 ALA HA H 52 4.265 4.378 -0.113 1
1 599 . 15 1 1 A 52 52 ALA CA C 52 53.031 52.278 0.753 1
1 600 . 15 1 1 A 52 52 ALA CB C 52 18.941 20.153 -1.212 1
1 601 . 15 1 1 A 52 52 ALA N N 52 125.360 121.491 3.869 1
1 602 . 15 1 1 A 53 53 ILE H H 53 7.870 8.077 -0.207 1
1 603 . 15 1 1 A 53 53 ILE HA H 53 4.099 4.233 -0.134 1
1 613 . 15 1 1 A 53 53 ILE CA C 53 61.558 61.994 -0.436 1
1 614 . 15 1 1 A 53 53 ILE CB C 53 38.851 38.217 0.634 1
1 618 . 15 1 1 A 53 53 ILE N N 53 118.231 118.609 -0.378 1
1 619 . 15 1 1 A 54 54 SER H H 54 8.159 8.689 -0.530 1
1 620 . 15 1 1 A 54 54 SER HA H 54 4.384 4.830 -0.446 1
1 623 . 15 1 1 A 54 54 SER CA C 54 58.551 56.047 2.504 1
1 624 . 15 1 1 A 54 54 SER CB C 54 63.964 65.630 -1.666 1
1 625 . 15 1 1 A 54 54 SER N N 54 118.588 119.369 -0.781 1
1 626 . 15 1 1 A 55 55 GLN H H 55 8.301 8.628 -0.327 1
1 627 . 15 1 1 A 55 55 GLN HA H 55 4.214 4.332 -0.118 1
1 634 . 15 1 1 A 55 55 GLN CA C 55 56.547 57.905 -1.358 1
1 635 . 15 1 1 A 55 55 GLN CB C 55 29.292 28.470 0.822 1
1 637 . 15 1 1 A 55 55 GLN N N 55 122.173 122.668 -0.495 1
1 639 . 15 1 1 A 56 56 LYS H H 56 8.163 8.464 -0.301 1
1 640 . 15 1 1 A 56 56 LYS HA H 56 4.177 4.115 0.062 1
1 647 . 15 1 1 A 56 56 LYS CA C 56 56.978 59.271 -2.293 1
1 648 . 15 1 1 A 56 56 LYS CB C 56 32.855 31.963 0.892 1
1 651 . 15 1 1 A 56 56 LYS N N 56 121.126 119.391 1.735 1
1 652 . 15 1 1 A 57 57 GLU H H 57 8.211 8.100 0.111 1
1 653 . 15 1 1 A 57 57 GLU HA H 57 4.151 4.483 -0.332 1
1 658 . 15 1 1 A 57 57 GLU CA C 57 57.058 56.066 0.992 1
1 659 . 15 1 1 A 57 57 GLU CB C 57 30.211 31.044 -0.833 1
1 661 . 15 1 1 A 57 57 GLU N N 57 120.615 117.797 2.818 1
1 662 . 15 1 1 A 58 58 TYR H H 58 8.070 7.591 0.479 1
1 663 . 15 1 1 A 58 58 TYR HA H 58 4.375 5.259 -0.884 1
1 670 . 15 1 1 A 58 58 TYR CA C 58 58.570 56.444 2.126 1
1 671 . 15 1 1 A 58 58 TYR CB C 58 38.962 42.108 -3.146 1
1 672 . 15 1 1 A 58 58 TYR N N 58 120.822 119.010 1.812 1
1 673 . 15 1 1 A 59 59 ASP H H 59 8.146 8.933 -0.787 1
1 674 . 15 1 1 A 59 59 ASP HA H 59 4.492 5.118 -0.626 1
1 677 . 15 1 1 A 59 59 ASP CA C 59 54.396 53.422 0.974 1
1 678 . 15 1 1 A 59 59 ASP CB C 59 41.086 43.001 -1.915 1
1 679 . 15 1 1 A 59 59 ASP N N 59 122.551 124.725 -2.174 1
1 680 . 15 1 1 A 60 60 SER H H 60 8.253 8.860 -0.607 1
1 681 . 15 1 1 A 60 60 SER HA H 60 4.260 4.306 -0.046 1
1 684 . 15 1 1 A 60 60 SER CA C 60 59.533 61.037 -1.504 1
1 685 . 15 1 1 A 60 60 SER CB C 60 63.422 63.028 0.394 1
1 686 . 15 1 1 A 60 60 SER N N 60 117.657 118.295 -0.638 1
1 687 . 15 1 1 A 61 61 SER H H 61 8.344 8.132 0.212 1
1 688 . 15 1 1 A 61 61 SER HA H 61 4.307 4.263 0.044 1
1 691 . 15 1 1 A 61 61 SER CA C 61 59.755 62.097 -2.342 1
1 692 . 15 1 1 A 61 61 SER CB C 61 63.582 62.952 0.630 1
1 693 . 15 1 1 A 61 61 SER N N 61 118.129 117.229 0.900 1
1 694 . 15 1 1 A 62 62 LEU H H 62 7.759 7.902 -0.143 1
1 695 . 15 1 1 A 62 62 LEU HA H 62 4.234 4.546 -0.312 1
1 705 . 15 1 1 A 62 62 LEU CA C 62 55.464 54.995 0.469 1
1 706 . 15 1 1 A 62 62 LEU CB C 62 42.238 42.684 -0.446 1
1 710 . 15 1 1 A 62 62 LEU N N 62 122.627 114.807 7.820 1
1 711 . 15 1 1 A 63 63 ALA H H 63 7.919 7.202 0.717 1
1 712 . 15 1 1 A 63 63 ALA HA H 63 4.276 4.358 -0.082 1
1 716 . 15 1 1 A 63 63 ALA CA C 63 52.922 52.103 0.819 1
1 717 . 15 1 1 A 63 63 ALA CB C 63 19.221 20.255 -1.034 1
1 718 . 15 1 1 A 63 63 ALA N N 63 123.444 123.671 -0.227 1
1 719 . 15 1 1 A 64 64 THR H H 64 7.890 8.461 -0.571 1
1 720 . 15 1 1 A 64 64 THR HA H 64 4.217 4.744 -0.527 1
1 725 . 15 1 1 A 64 64 THR CA C 64 61.787 60.062 1.725 1
1 726 . 15 1 1 A 64 64 THR CB C 64 69.719 71.450 -1.731 1
1 728 . 15 1 1 A 64 64 THR N N 64 112.279 108.039 4.240 1
1 729 . 15 1 1 A 65 65 LEU H H 65 8.009 8.629 -0.620 1
1 730 . 15 1 1 A 65 65 LEU HA H 65 4.295 4.029 0.266 1
1 740 . 15 1 1 A 65 65 LEU CA C 65 55.345 55.375 -0.030 1
1 741 . 15 1 1 A 65 65 LEU CB C 65 42.412 41.084 1.328 1
1 745 . 15 1 1 A 65 65 LEU N N 65 123.586 119.798 3.788 1
1 746 . 15 1 1 A 66 66 ASP H H 66 8.288 8.571 -0.283 1
1 747 . 15 1 1 A 66 66 ASP HA H 66 4.564 4.577 -0.013 1
1 750 . 15 1 1 A 66 66 ASP CA C 66 54.676 54.095 0.581 1
1 751 . 15 1 1 A 66 66 ASP CB C 66 41.376 39.974 1.402 1
1 752 . 15 1 1 A 66 66 ASP N N 66 120.344 124.476 -4.132 1
1 753 . 15 1 1 A 67 67 HIS H H 67 8.058 7.873 0.185 1
1 754 . 15 1 1 A 67 67 HIS HA H 67 5.247 4.887 0.360 1
1 758 . 15 1 1 A 67 67 HIS CA C 67 55.260 55.958 -0.698 1
1 759 . 15 1 1 A 67 67 HIS CB C 67 31.974 31.015 0.959 1
1 760 . 15 1 1 A 67 67 HIS N N 67 119.406 124.301 -4.895 1
1 761 . 15 1 1 A 68 68 THR H H 68 8.919 8.872 0.047 1
1 762 . 15 1 1 A 68 68 THR HA H 68 4.484 4.658 -0.174 1
1 767 . 15 1 1 A 68 68 THR CA C 68 62.542 62.117 0.425 1
1 768 . 15 1 1 A 68 68 THR CB C 68 71.067 68.524 2.543 1
1 770 . 15 1 1 A 68 68 THR N N 68 117.233 118.608 -1.375 1
1 771 . 15 1 1 A 69 69 GLU H H 69 8.649 8.569 0.080 1
1 772 . 15 1 1 A 69 69 GLU HA H 69 4.703 4.538 0.165 1
1 777 . 15 1 1 A 69 69 GLU CA C 69 55.886 56.487 -0.601 1
1 778 . 15 1 1 A 69 69 GLU CB C 69 31.746 29.647 2.099 1
1 780 . 15 1 1 A 69 69 GLU N N 69 124.187 125.911 -1.724 1
1 781 . 15 1 1 A 70 70 ILE H H 70 8.601 8.659 -0.058 1
1 782 . 15 1 1 A 70 70 ILE HA H 70 4.405 4.359 0.046 1
1 792 . 15 1 1 A 70 70 ILE CA C 70 59.234 61.347 -2.113 1
1 793 . 15 1 1 A 70 70 ILE CB C 70 37.318 37.746 -0.428 1
1 797 . 15 1 1 A 70 70 ILE N N 70 123.482 126.401 -2.919 1
1 798 . 15 1 1 A 71 71 LYS H H 71 8.926 8.938 -0.012 1
1 799 . 15 1 1 A 71 71 LYS HA H 71 5.078 5.210 -0.132 1
1 806 . 15 1 1 A 71 71 LYS CA C 71 54.584 54.184 0.400 1
1 807 . 15 1 1 A 71 71 LYS CB C 71 36.281 36.365 -0.084 1
1 810 . 15 1 1 A 71 71 LYS N N 71 128.267 126.347 1.920 1
1 811 . 15 1 1 A 72 72 ALA H H 72 8.633 8.451 0.182 1
1 812 . 15 1 1 A 72 72 ALA HA H 72 4.067 4.407 -0.340 1
1 816 . 15 1 1 A 72 72 ALA CA C 72 49.967 50.651 -0.684 1
1 817 . 15 1 1 A 72 72 ALA CB C 72 17.255 17.932 -0.677 1
1 818 . 15 1 1 A 72 72 ALA N N 72 123.088 124.370 -1.282 1
1 819 . 15 1 1 A 73 73 PRO HA H 73 4.333 4.443 -0.110 1
1 826 . 15 1 1 A 73 73 PRO CA C 73 63.716 64.207 -0.491 1
1 827 . 15 1 1 A 73 73 PRO CB C 73 31.915 31.927 -0.012 1
1 830 . 15 1 1 A 74 74 PHE H H 74 6.768 7.040 -0.272 1
1 831 . 15 1 1 A 74 74 PHE HA H 74 4.421 4.733 -0.312 1
1 838 . 15 1 1 A 74 74 PHE CA C 74 54.396 56.642 -2.246 1
1 839 . 15 1 1 A 74 74 PHE CB C 74 40.697 40.231 0.466 1
1 840 . 15 1 1 A 74 74 PHE N N 74 112.022 112.693 -0.671 1
1 841 . 15 1 1 A 75 75 ASP H H 75 8.583 8.679 -0.096 1
1 842 . 15 1 1 A 75 75 ASP HA H 75 4.922 4.875 0.047 1
1 845 . 15 1 1 A 75 75 ASP CA C 75 53.873 55.256 -1.383 1
1 846 . 15 1 1 A 75 75 ASP CB C 75 40.839 40.859 -0.020 1
1 847 . 15 1 1 A 75 75 ASP N N 75 118.252 119.419 -1.167 1
1 848 . 15 1 1 A 76 76 GLY H H 76 8.348 8.032 0.316 1
1 849 . 15 1 1 A 76 76 GLY HA2 H 76 4.236 4.333 -0.097 1
1 850 . 15 1 1 A 76 76 GLY HA3 H 76 4.075 4.360 -0.285 1
1 851 . 15 1 1 A 76 76 GLY CA C 76 46.639 46.210 0.429 1
1 852 . 15 1 1 A 76 76 GLY N N 76 108.729 107.872 0.857 1
1 853 . 15 1 1 A 77 77 THR H H 77 8.623 8.317 0.306 1
1 854 . 15 1 1 A 77 77 THR HA H 77 4.975 5.237 -0.262 1
1 859 . 15 1 1 A 77 77 THR CA C 77 61.752 61.199 0.553 1
1 860 . 15 1 1 A 77 77 THR CB C 77 70.121 72.444 -2.323 1
1 862 . 15 1 1 A 77 77 THR N N 77 116.400 116.053 0.347 1
1 863 . 15 1 1 A 78 78 ILE H H 78 8.824 8.874 -0.050 1
1 864 . 15 1 1 A 78 78 ILE HA H 78 4.673 4.827 -0.154 1
1 874 . 15 1 1 A 78 78 ILE CA C 78 60.164 59.394 0.770 1
1 875 . 15 1 1 A 78 78 ILE CB C 78 42.973 42.005 0.968 1
1 879 . 15 1 1 A 78 78 ILE N N 78 129.310 123.671 5.639 1
1 880 . 15 1 1 A 79 79 GLY H H 79 8.060 8.273 -0.213 1
1 881 . 15 1 1 A 79 79 GLY HA2 H 79 4.404 4.055 0.349 1
1 882 . 15 1 1 A 79 79 GLY HA3 H 79 3.775 4.068 -0.293 1
1 883 . 15 1 1 A 79 79 GLY CA C 79 44.149 44.411 -0.262 1
1 884 . 15 1 1 A 79 79 GLY N N 79 114.539 115.495 -0.956 1
1 885 . 15 1 1 A 80 80 ASP H H 80 7.804 8.532 -0.728 1
1 886 . 15 1 1 A 80 80 ASP HA H 80 4.703 5.521 -0.818 1
1 889 . 15 1 1 A 80 80 ASP CA C 80 53.703 52.594 1.109 1
1 890 . 15 1 1 A 80 80 ASP CB C 80 41.918 42.743 -0.825 1
1 891 . 15 1 1 A 80 80 ASP N N 80 113.688 118.469 -4.781 1
1 892 . 15 1 1 A 81 81 ALA H H 81 8.566 8.906 -0.340 1
1 893 . 15 1 1 A 81 81 ALA HA H 81 4.571 4.643 -0.072 1
1 897 . 15 1 1 A 81 81 ALA CA C 81 53.312 53.208 0.104 1
1 898 . 15 1 1 A 81 81 ALA CB C 81 20.381 19.467 0.914 1
1 899 . 15 1 1 A 81 81 ALA N N 81 124.136 124.850 -0.714 1
1 900 . 15 1 1 A 82 82 LEU H H 82 8.747 9.690 -0.943 1
1 901 . 15 1 1 A 82 82 LEU HA H 82 4.345 4.388 -0.043 1
1 910 . 15 1 1 A 82 82 LEU CA C 82 55.210 56.328 -1.118 1
1 911 . 15 1 1 A 82 82 LEU CB C 82 41.457 42.962 -1.505 1
1 914 . 15 1 1 A 82 82 LEU N N 82 121.773 125.498 -3.725 1
1 915 . 15 1 1 A 83 83 VAL H H 83 7.141 7.447 -0.306 1
1 916 . 15 1 1 A 83 83 VAL HA H 83 4.496 4.745 -0.249 1
1 924 . 15 1 1 A 83 83 VAL CA C 83 58.502 59.758 -1.256 1
1 925 . 15 1 1 A 83 83 VAL CB C 83 35.229 34.334 0.895 1
1 928 . 15 1 1 A 83 83 VAL N N 83 108.169 113.905 -5.736 1
1 929 . 15 1 1 A 84 84 ASN H H 84 9.076 8.782 0.294 1
1 930 . 15 1 1 A 84 84 ASN HA H 84 4.887 5.234 -0.347 1
1 935 . 15 1 1 A 84 84 ASN CA C 84 51.248 51.862 -0.614 1
1 936 . 15 1 1 A 84 84 ASN CB C 84 41.989 41.154 0.835 1
1 937 . 15 1 1 A 84 84 ASN N N 84 119.502 118.691 0.811 1
1 939 . 15 1 1 A 85 85 ILE H H 85 8.404 8.349 0.055 1
1 940 . 15 1 1 A 85 85 ILE HA H 85 3.393 4.172 -0.779 1
1 950 . 15 1 1 A 85 85 ILE CA C 85 63.873 62.157 1.716 1
1 951 . 15 1 1 A 85 85 ILE CB C 85 37.146 38.769 -1.623 1
1 955 . 15 1 1 A 85 85 ILE N N 85 119.409 120.855 -1.446 1
1 956 . 15 1 1 A 86 86 GLY H H 86 9.239 8.619 0.620 1
1 957 . 15 1 1 A 86 86 GLY HA2 H 86 4.401 3.899 0.502 1
1 958 . 15 1 1 A 86 86 GLY HA3 H 86 3.411 3.899 -0.488 1
1 959 . 15 1 1 A 86 86 GLY CA C 86 44.869 45.751 -0.882 1
1 960 . 15 1 1 A 86 86 GLY N N 86 117.321 115.431 1.890 1
1 961 . 15 1 1 A 87 87 ASP H H 87 7.968 7.848 0.120 1
1 962 . 15 1 1 A 87 87 ASP HA H 87 4.607 5.051 -0.444 1
1 965 . 15 1 1 A 87 87 ASP CA C 87 54.886 52.864 2.022 1
1 966 . 15 1 1 A 87 87 ASP CB C 87 40.771 42.938 -2.167 1
1 967 . 15 1 1 A 87 87 ASP N N 87 121.490 120.591 0.899 1
1 968 . 15 1 1 A 88 88 TYR H H 88 8.566 8.973 -0.407 1
1 969 . 15 1 1 A 88 88 TYR HA H 88 4.712 5.005 -0.293 1
1 976 . 15 1 1 A 88 88 TYR CA C 88 57.826 59.533 -1.707 1
1 977 . 15 1 1 A 88 88 TYR CB C 88 39.243 39.447 -0.204 1
1 978 . 15 1 1 A 88 88 TYR N N 88 122.340 126.918 -4.578 1
1 979 . 15 1 1 A 89 89 VAL H H 89 8.951 8.075 0.876 1
1 980 . 15 1 1 A 89 89 VAL HA H 89 4.578 4.670 -0.092 1
1 988 . 15 1 1 A 89 89 VAL CA C 89 58.339 58.925 -0.586 1
1 989 . 15 1 1 A 89 89 VAL CB C 89 34.321 35.545 -1.224 1
1 992 . 15 1 1 A 89 89 VAL N N 89 121.914 121.244 0.670 1
1 993 . 15 1 1 A 90 90 SER H H 90 8.777 9.052 -0.275 1
1 994 . 15 1 1 A 90 90 SER HA H 90 4.750 4.472 0.278 1
1 997 . 15 1 1 A 90 90 SER CA C 90 56.895 58.074 -1.179 1
1 998 . 15 1 1 A 90 90 SER CB C 90 64.866 64.595 0.271 1
1 999 . 15 1 1 A 90 90 SER N N 90 114.813 118.801 -3.988 1
1 1000 . 15 1 1 A 91 91 ALA H H 91 8.712 8.784 -0.072 1
1 1001 . 15 1 1 A 91 91 ALA HA H 91 3.515 4.347 -0.832 1
1 1005 . 15 1 1 A 91 91 ALA CA C 91 53.317 54.821 -1.504 1
1 1006 . 15 1 1 A 91 91 ALA CB C 91 18.678 18.983 -0.305 1
1 1007 . 15 1 1 A 91 91 ALA N N 91 129.870 124.737 5.133 1
1 1008 . 15 1 1 A 92 92 SER H H 92 9.170 8.051 1.119 1
1 1009 . 15 1 1 A 92 92 SER HA H 92 3.817 4.414 -0.597 1
1 1012 . 15 1 1 A 92 92 SER CA C 92 60.652 59.372 1.280 1
1 1013 . 15 1 1 A 92 92 SER CB C 92 62.505 63.608 -1.103 1
1 1014 . 15 1 1 A 92 92 SER N N 92 113.294 112.485 0.809 1
1 1015 . 15 1 1 A 93 93 THR H H 93 7.816 7.732 0.084 1
1 1016 . 15 1 1 A 93 93 THR HA H 93 4.402 4.128 0.274 1
1 1021 . 15 1 1 A 93 93 THR CA C 93 64.378 65.788 -1.410 1
1 1022 . 15 1 1 A 93 93 THR CB C 93 70.948 68.915 2.033 1
1 1024 . 15 1 1 A 93 93 THR N N 93 113.858 114.518 -0.660 1
1 1025 . 15 1 1 A 94 94 THR H H 94 7.702 7.847 -0.145 1
1 1026 . 15 1 1 A 94 94 THR HA H 94 3.910 4.404 -0.494 1
1 1031 . 15 1 1 A 94 94 THR CA C 94 65.140 61.577 3.563 1
1 1032 . 15 1 1 A 94 94 THR CB C 94 70.001 68.146 1.855 1
1 1034 . 15 1 1 A 94 94 THR N N 94 119.588 114.692 4.896 1
1 1035 . 15 1 1 A 95 95 GLU H H 95 8.407 8.846 -0.439 1
1 1036 . 15 1 1 A 95 95 GLU HA H 95 3.801 4.546 -0.745 1
1 1041 . 15 1 1 A 95 95 GLU CA C 95 56.613 55.080 1.533 1
1 1042 . 15 1 1 A 95 95 GLU CB C 95 29.600 27.900 1.700 1
1 1044 . 15 1 1 A 95 95 GLU N N 95 124.764 128.212 -3.448 1
1 1045 . 15 1 1 A 96 96 LEU H H 96 8.750 7.931 0.819 1
1 1046 . 15 1 1 A 96 96 LEU HA H 96 4.260 4.110 0.150 1
1 1056 . 15 1 1 A 96 96 LEU CA C 96 56.927 57.493 -0.566 1
1 1057 . 15 1 1 A 96 96 LEU CB C 96 43.310 41.822 1.488 1
1 1061 . 15 1 1 A 96 96 LEU N N 96 120.035 121.337 -1.302 1
1 1062 . 15 1 1 A 97 97 VAL H H 97 7.053 7.758 -0.705 1
1 1063 . 15 1 1 A 97 97 VAL HA H 97 4.345 4.694 -0.349 1
1 1071 . 15 1 1 A 97 97 VAL CA C 97 61.291 60.924 0.367 1
1 1072 . 15 1 1 A 97 97 VAL CB C 97 31.577 36.517 -4.940 1
1 1075 . 15 1 1 A 97 97 VAL N N 97 112.365 117.487 -5.122 1
1 1076 . 15 1 1 A 98 98 ARG H H 98 8.980 8.742 0.238 1
1 1077 . 15 1 1 A 98 98 ARG HA H 98 5.267 5.011 0.256 1
1 1084 . 15 1 1 A 98 98 ARG CA C 98 55.195 54.070 1.125 1
1 1085 . 15 1 1 A 98 98 ARG CB C 98 32.818 34.025 -1.207 1
1 1088 . 15 1 1 A 98 98 ARG N N 98 127.477 123.579 3.898 1
1 1089 . 15 1 1 A 99 99 VAL H H 99 8.887 8.609 0.278 1
1 1090 . 15 1 1 A 99 99 VAL HA H 99 4.556 4.781 -0.225 1
1 1095 . 15 1 1 A 99 99 VAL CA C 99 60.968 61.163 -0.195 1
1 1096 . 15 1 1 A 99 99 VAL CB C 99 34.186 32.930 1.256 1
1 1098 . 15 1 1 A 99 99 VAL N N 99 122.826 122.631 0.195 1
1 1099 . 15 1 1 A 100 100 THR H H 100 8.833 8.412 0.421 1
1 1100 . 15 1 1 A 100 100 THR HA H 100 4.559 5.059 -0.500 1
1 1105 . 15 1 1 A 100 100 THR CA C 100 61.080 59.631 1.449 1
1 1106 . 15 1 1 A 100 100 THR CB C 100 70.669 71.963 -1.294 1
1 1108 . 15 1 1 A 100 100 THR N N 100 121.816 120.742 1.074 1
1 1109 . 15 1 1 A 101 101 ASN H H 101 8.153 8.826 -0.673 1
1 1110 . 15 1 1 A 101 101 ASN HA H 101 4.518 4.722 -0.204 1
1 1115 . 15 1 1 A 101 101 ASN CA C 101 54.238 55.526 -1.288 1
1 1116 . 15 1 1 A 101 101 ASN CB C 101 38.470 37.492 0.978 1
1 1117 . 15 1 1 A 101 101 ASN N N 101 122.733 125.461 -2.728 1
1 1119 . 15 1 1 A 102 102 LEU H H 102 8.160 8.406 -0.246 1
1 1120 . 15 1 1 A 102 102 LEU HA H 102 4.245 4.592 -0.347 1
1 1130 . 15 1 1 A 102 102 LEU CA C 102 55.449 56.241 -0.792 1
1 1131 . 15 1 1 A 102 102 LEU CB C 102 42.549 44.774 -2.225 1
1 1135 . 15 1 1 A 102 102 LEU N N 102 122.544 123.269 -0.725 1
1 1136 . 15 1 1 A 103 103 ASN H H 103 8.405 8.288 0.117 1
1 1137 . 15 1 1 A 103 103 ASN HA H 103 4.867 4.865 0.002 1
1 1142 . 15 1 1 A 103 103 ASN CA C 103 51.316 51.134 0.182 1
1 1143 . 15 1 1 A 103 103 ASN CB C 103 39.049 37.956 1.093 1
1 1144 . 15 1 1 A 103 103 ASN N N 103 120.174 117.724 2.450 1
1 1146 . 15 1 1 A 104 104 PRO HA H 104 4.230 4.589 -0.359 1
1 1153 . 15 1 1 A 104 104 PRO CA C 104 63.559 62.377 1.182 1
1 1154 . 15 1 1 A 104 104 PRO CB C 104 32.102 30.732 1.370 1
1 1157 . 15 1 1 A 105 105 ILE H H 105 7.886 8.337 -0.451 1
1 1158 . 15 1 1 A 105 105 ILE HA H 105 3.941 4.103 -0.162 1
1 1168 . 15 1 1 A 105 105 ILE CA C 105 61.348 60.963 0.385 1
1 1169 . 15 1 1 A 105 105 ILE CB C 105 38.569 38.220 0.349 1
1 1173 . 15 1 1 A 105 105 ILE N N 105 119.390 123.034 -3.644 1
1 1174 . 15 1 1 A 106 106 TYR H H 106 7.961 8.913 -0.952 1
1 1175 . 15 1 1 A 106 106 TYR HA H 106 4.536 4.742 -0.206 1
1 1182 . 15 1 1 A 106 106 TYR CA C 106 57.370 59.060 -1.690 1
1 1183 . 15 1 1 A 106 106 TYR CB C 106 38.889 40.154 -1.265 1
1 1184 . 15 1 1 A 106 106 TYR N N 106 123.172 124.640 -1.468 1
1 1185 . 15 1 1 A 107 107 ALA H H 107 8.128 8.098 0.030 1
1 1186 . 15 1 1 A 107 107 ALA HA H 107 4.217 4.180 0.037 1
1 1190 . 15 1 1 A 107 107 ALA CA C 107 52.724 55.103 -2.379 1
1 1191 . 15 1 1 A 107 107 ALA CB C 107 19.133 19.497 -0.364 1
1 1192 . 15 1 1 A 107 107 ALA N N 107 125.520 121.828 3.692 1
1 1193 . 15 1 1 A 108 108 ASP H H 108 8.147 7.718 0.429 1
1 1194 . 15 1 1 A 108 108 ASP HA H 108 4.511 4.976 -0.465 1
1 1197 . 15 1 1 A 108 108 ASP CA C 108 54.342 54.024 0.318 1
1 1198 . 15 1 1 A 108 108 ASP CB C 108 41.240 43.695 -2.455 1
1 1199 . 15 1 1 A 108 108 ASP N N 108 119.219 114.906 4.313 1
1 1200 . 15 1 1 A 109 109 GLY H H 109 8.313 8.423 -0.110 1
1 1201 . 15 1 1 A 109 109 GLY HA2 H 109 3.946 4.218 -0.272 1
1 1202 . 15 1 1 A 109 109 GLY HA3 H 109 3.848 4.246 -0.398 1
1 1203 . 15 1 1 A 109 109 GLY CA C 109 45.692 46.144 -0.452 1
1 1204 . 15 1 1 A 109 109 GLY N N 109 109.478 111.690 -2.212 1
1 1205 . 15 1 1 A 110 110 SER H H 110 8.175 9.080 -0.905 1
1 1206 . 15 1 1 A 110 110 SER HA H 110 4.286 3.990 0.296 1
1 1209 . 15 1 1 A 110 110 SER CA C 110 59.296 61.436 -2.140 1
1 1210 . 15 1 1 A 110 110 SER CB C 110 63.825 62.964 0.861 1
1 1211 . 15 1 1 A 110 110 SER N N 110 115.660 117.320 -1.660 1
1 1212 . 15 1 1 A 111 111 HIS HA H 111 4.527 4.488 0.039 1
1 1215 . 15 1 1 A 111 111 HIS CA C 111 56.109 56.382 -0.273 1
1 1216 . 15 1 1 A 111 111 HIS CB C 111 30.580 29.668 0.912 1
1 1217 . 15 1 1 A 112 112 HIS HA H 112 4.535 4.880 -0.345 1
1 1220 . 15 1 1 A 112 112 HIS CA C 112 57.411 54.276 3.135 1
1 1221 . 15 1 1 A 112 112 HIS CB C 112 30.756 32.344 -1.588 1
1 2 . 16 1 1 A 2 2 VAL H H 2 8.613 8.577 0.036 1
1 3 . 16 1 1 A 2 2 VAL HA H 2 4.487 4.953 -0.466 1
1 11 . 16 1 1 A 2 2 VAL CA C 2 61.103 59.530 1.573 1
1 12 . 16 1 1 A 2 2 VAL CB C 2 35.731 36.043 -0.312 1
1 15 . 16 1 1 A 2 2 VAL N N 2 117.956 119.413 -1.457 1
1 16 . 16 1 1 A 3 3 ILE H H 3 8.439 8.887 -0.448 1
1 17 . 16 1 1 A 3 3 ILE HA H 3 4.498 4.832 -0.334 1
1 27 . 16 1 1 A 3 3 ILE CA C 3 60.172 59.436 0.736 1
1 28 . 16 1 1 A 3 3 ILE CB C 3 38.528 41.491 -2.963 1
1 32 . 16 1 1 A 3 3 ILE N N 3 125.643 126.371 -0.728 1
1 33 . 16 1 1 A 4 4 ILE H H 4 8.543 8.648 -0.105 1
1 34 . 16 1 1 A 4 4 ILE HA H 4 4.005 4.541 -0.536 1
1 44 . 16 1 1 A 4 4 ILE CA C 4 61.550 60.352 1.198 1
1 45 . 16 1 1 A 4 4 ILE CB C 4 38.038 37.856 0.182 1
1 49 . 16 1 1 A 4 4 ILE N N 4 127.460 126.435 1.025 1
1 50 . 16 1 1 A 5 5 LYS H H 5 8.292 8.750 -0.458 1
1 51 . 16 1 1 A 5 5 LYS HA H 5 5.173 4.924 0.249 1
1 60 . 16 1 1 A 5 5 LYS CA C 5 53.276 53.159 0.117 1
1 61 . 16 1 1 A 5 5 LYS CB C 5 33.713 35.342 -1.629 1
1 65 . 16 1 1 A 5 5 LYS N N 5 126.677 124.392 2.285 1
1 66 . 16 1 1 A 6 6 PRO HA H 6 4.383 4.625 -0.242 1
1 73 . 16 1 1 A 6 6 PRO CA C 6 62.444 62.292 0.152 1
1 74 . 16 1 1 A 6 6 PRO CB C 6 32.018 33.454 -1.436 1
1 77 . 16 1 1 A 7 7 GLN H H 7 9.359 8.305 1.054 1
1 78 . 16 1 1 A 7 7 GLN HA H 7 4.406 4.682 -0.276 1
1 85 . 16 1 1 A 7 7 GLN CA C 7 56.357 55.236 1.121 1
1 86 . 16 1 1 A 7 7 GLN CB C 7 28.784 29.753 -0.969 1
1 88 . 16 1 1 A 7 7 GLN N N 7 119.975 115.561 4.414 1
1 90 . 16 1 1 A 8 8 VAL H H 8 7.032 7.533 -0.501 1
1 91 . 16 1 1 A 8 8 VAL HA H 8 4.486 4.651 -0.165 1
1 99 . 16 1 1 A 8 8 VAL CA C 8 58.874 59.033 -0.159 1
1 100 . 16 1 1 A 8 8 VAL CB C 8 35.169 35.929 -0.760 1
1 103 . 16 1 1 A 8 8 VAL N N 8 111.122 116.517 -5.395 1
1 104 . 16 1 1 A 9 9 SER H H 9 8.210 8.705 -0.495 1
1 105 . 16 1 1 A 9 9 SER HA H 9 4.957 5.330 -0.373 1
1 108 . 16 1 1 A 9 9 SER CA C 9 56.585 56.702 -0.117 1
1 109 . 16 1 1 A 9 9 SER CB C 9 64.442 64.265 0.177 1
1 110 . 16 1 1 A 9 9 SER N N 9 115.043 116.554 -1.511 1
1 111 . 16 1 1 A 10 10 GLY H H 10 8.003 8.006 -0.003 1
1 112 . 16 1 1 A 10 10 GLY HA2 H 10 4.412 3.915 0.497 1
1 113 . 16 1 1 A 10 10 GLY HA3 H 10 3.645 3.992 -0.347 1
1 114 . 16 1 1 A 10 10 GLY CA C 10 45.292 45.177 0.115 1
1 115 . 16 1 1 A 10 10 GLY N N 10 108.708 111.254 -2.546 1
1 116 . 16 1 1 A 11 11 VAL H H 11 8.006 7.744 0.262 1
1 117 . 16 1 1 A 11 11 VAL HA H 11 4.743 4.742 0.001 1
1 125 . 16 1 1 A 11 11 VAL CA C 11 60.539 60.409 0.130 1
1 126 . 16 1 1 A 11 11 VAL CB C 11 34.951 35.850 -0.899 1
1 129 . 16 1 1 A 11 11 VAL N N 11 118.308 119.968 -1.660 1
1 130 . 16 1 1 A 12 12 ILE H H 12 8.459 8.663 -0.204 1
1 131 . 16 1 1 A 12 12 ILE HA H 12 4.050 4.237 -0.187 1
1 141 . 16 1 1 A 12 12 ILE CA C 12 60.287 62.025 -1.738 1
1 142 . 16 1 1 A 12 12 ILE CB C 12 35.650 38.175 -2.525 1
1 146 . 16 1 1 A 12 12 ILE N N 12 125.265 125.730 -0.465 1
1 147 . 16 1 1 A 13 13 VAL H H 13 8.908 8.915 -0.007 1
1 148 . 16 1 1 A 13 13 VAL HA H 13 4.500 4.431 0.069 1
1 156 . 16 1 1 A 13 13 VAL CA C 13 62.126 62.097 0.029 1
1 157 . 16 1 1 A 13 13 VAL CB C 13 33.291 33.587 -0.296 1
1 160 . 16 1 1 A 13 13 VAL N N 13 124.479 119.814 4.665 1
1 161 . 16 1 1 A 14 14 ASN H H 14 7.653 7.939 -0.286 1
1 162 . 16 1 1 A 14 14 ASN HA H 14 4.819 5.145 -0.326 1
1 167 . 16 1 1 A 14 14 ASN CA C 14 52.806 52.392 0.414 1
1 168 . 16 1 1 A 14 14 ASN CB C 14 41.978 42.255 -0.277 1
1 169 . 16 1 1 A 14 14 ASN N N 14 114.961 118.543 -3.582 1
1 171 . 16 1 1 A 15 15 LYS H H 15 8.404 8.627 -0.223 1
1 172 . 16 1 1 A 15 15 LYS HA H 15 4.641 4.851 -0.210 1
1 179 . 16 1 1 A 15 15 LYS CA C 15 55.935 55.175 0.760 1
1 180 . 16 1 1 A 15 15 LYS CB C 15 35.274 33.950 1.324 1
1 183 . 16 1 1 A 15 15 LYS N N 15 123.768 120.789 2.979 1
1 184 . 16 1 1 A 16 16 LEU H H 16 8.020 8.719 -0.699 1
1 185 . 16 1 1 A 16 16 LEU HA H 16 4.611 4.519 0.092 1
1 195 . 16 1 1 A 16 16 LEU CA C 16 55.124 54.212 0.912 1
1 196 . 16 1 1 A 16 16 LEU CB C 16 41.308 39.840 1.468 1
1 200 . 16 1 1 A 16 16 LEU N N 16 126.162 126.642 -0.480 1
1 201 . 16 1 1 A 17 17 PHE H H 17 6.573 8.270 -1.697 1
1 202 . 16 1 1 A 17 17 PHE HA H 17 4.862 5.227 -0.365 1
1 207 . 16 1 1 A 17 17 PHE CA C 17 55.528 55.405 0.123 1
1 208 . 16 1 1 A 17 17 PHE CB C 17 41.093 42.408 -1.315 1
1 209 . 16 1 1 A 17 17 PHE N N 17 113.628 116.538 -2.910 1
1 210 . 16 1 1 A 18 18 LYS H H 18 8.655 8.434 0.221 1
1 211 . 16 1 1 A 18 18 LYS HA H 18 4.333 4.421 -0.088 1
1 220 . 16 1 1 A 18 18 LYS CA C 18 54.277 53.975 0.302 1
1 221 . 16 1 1 A 18 18 LYS CB C 18 35.134 36.170 -1.036 1
1 225 . 16 1 1 A 18 18 LYS N N 18 120.572 118.577 1.995 1
1 226 . 16 1 1 A 19 19 ALA H H 19 8.407 8.301 0.106 1
1 227 . 16 1 1 A 19 19 ALA HA H 19 3.962 4.676 -0.714 1
1 231 . 16 1 1 A 19 19 ALA CA C 19 53.980 52.722 1.258 1
1 232 . 16 1 1 A 19 19 ALA CB C 19 18.497 19.162 -0.665 1
1 233 . 16 1 1 A 19 19 ALA N N 19 123.842 124.574 -0.732 1
1 234 . 16 1 1 A 20 20 GLY H H 20 8.814 8.526 0.288 1
1 235 . 16 1 1 A 20 20 GLY HA2 H 20 4.313 3.820 0.493 1
1 236 . 16 1 1 A 20 20 GLY HA3 H 20 3.532 3.838 -0.306 1
1 237 . 16 1 1 A 20 20 GLY CA C 20 45.045 45.894 -0.849 1
1 238 . 16 1 1 A 20 20 GLY N N 20 112.434 111.654 0.780 1
1 239 . 16 1 1 A 21 21 ASP H H 21 7.933 7.884 0.049 1
1 240 . 16 1 1 A 21 21 ASP HA H 21 4.499 4.979 -0.480 1
1 243 . 16 1 1 A 21 21 ASP CA C 21 55.383 52.637 2.746 1
1 244 . 16 1 1 A 21 21 ASP CB C 21 41.067 43.467 -2.400 1
1 245 . 16 1 1 A 21 21 ASP N N 21 121.505 120.580 0.925 1
1 246 . 16 1 1 A 22 22 LYS H H 22 8.311 8.350 -0.039 1
1 247 . 16 1 1 A 22 22 LYS HA H 22 4.871 5.029 -0.158 1
1 256 . 16 1 1 A 22 22 LYS CA C 22 55.659 55.134 0.525 1
1 257 . 16 1 1 A 22 22 LYS CB C 22 31.820 34.730 -2.910 1
1 261 . 16 1 1 A 22 22 LYS N N 22 120.225 119.784 0.441 1
1 262 . 16 1 1 A 23 23 VAL H H 23 8.935 8.381 0.554 1
1 263 . 16 1 1 A 23 23 VAL HA H 23 4.841 4.936 -0.095 1
1 271 . 16 1 1 A 23 23 VAL CA C 23 58.502 59.283 -0.781 1
1 272 . 16 1 1 A 23 23 VAL CB C 23 34.507 35.701 -1.194 1
1 275 . 16 1 1 A 23 23 VAL N N 23 117.700 119.650 -1.950 1
1 276 . 16 1 1 A 24 24 LYS H H 24 7.960 8.583 -0.623 1
1 277 . 16 1 1 A 24 24 LYS HA H 24 4.838 4.829 0.009 1
1 286 . 16 1 1 A 24 24 LYS CA C 24 53.195 54.260 -1.065 1
1 287 . 16 1 1 A 24 24 LYS CB C 24 35.213 35.486 -0.273 1
1 291 . 16 1 1 A 24 24 LYS N N 24 121.958 123.656 -1.698 1
1 292 . 16 1 1 A 25 25 LYS H H 25 8.915 8.541 0.374 1
1 293 . 16 1 1 A 25 25 LYS HA H 25 3.156 4.589 -1.433 1
1 300 . 16 1 1 A 25 25 LYS CA C 25 58.648 56.015 2.633 1
1 301 . 16 1 1 A 25 25 LYS CB C 25 32.648 31.097 1.551 1
1 304 . 16 1 1 A 25 25 LYS N N 25 121.653 120.088 1.565 1
1 305 . 16 1 1 A 26 26 GLY H H 26 8.900 8.312 0.588 1
1 306 . 16 1 1 A 26 26 GLY HA2 H 26 4.283 4.011 0.272 1
1 307 . 16 1 1 A 26 26 GLY HA3 H 26 3.471 4.016 -0.545 1
1 308 . 16 1 1 A 26 26 GLY CA C 26 45.263 45.011 0.252 1
1 309 . 16 1 1 A 26 26 GLY N N 26 115.268 113.450 1.818 1
1 310 . 16 1 1 A 27 27 GLN H H 27 8.433 7.810 0.623 1
1 311 . 16 1 1 A 27 27 GLN HA H 27 4.141 4.415 -0.274 1
1 318 . 16 1 1 A 27 27 GLN CA C 27 56.324 55.453 0.871 1
1 319 . 16 1 1 A 27 27 GLN CB C 27 30.520 29.599 0.921 1
1 321 . 16 1 1 A 27 27 GLN N N 27 123.155 120.103 3.052 1
1 323 . 16 1 1 A 28 28 THR H H 28 9.110 8.932 0.178 1
1 324 . 16 1 1 A 28 28 THR HA H 28 3.893 4.230 -0.337 1
1 329 . 16 1 1 A 28 28 THR CA C 28 65.828 64.024 1.804 1
1 330 . 16 1 1 A 28 28 THR CB C 28 68.581 69.320 -0.739 1
1 332 . 16 1 1 A 28 28 THR N N 28 124.748 118.917 5.831 1
1 333 . 16 1 1 A 29 29 LEU H H 29 9.509 8.922 0.587 1
1 334 . 16 1 1 A 29 29 LEU HA H 29 4.383 4.734 -0.351 1
1 344 . 16 1 1 A 29 29 LEU CA C 29 55.795 55.504 0.291 1
1 345 . 16 1 1 A 29 29 LEU CB C 29 44.572 44.598 -0.026 1
1 349 . 16 1 1 A 29 29 LEU N N 29 125.873 126.434 -0.561 1
1 350 . 16 1 1 A 30 30 PHE H H 30 7.579 7.571 0.008 1
1 351 . 16 1 1 A 30 30 PHE HA H 30 5.367 5.156 0.211 1
1 359 . 16 1 1 A 30 30 PHE CA C 30 55.486 56.028 -0.542 1
1 360 . 16 1 1 A 30 30 PHE CB C 30 44.887 43.617 1.270 1
1 361 . 16 1 1 A 30 30 PHE N N 30 111.134 115.325 -4.191 1
1 362 . 16 1 1 A 31 31 ILE H H 31 7.858 8.676 -0.818 1
1 363 . 16 1 1 A 31 31 ILE HA H 31 4.817 4.746 0.071 1
1 373 . 16 1 1 A 31 31 ILE CA C 31 60.063 59.908 0.155 1
1 374 . 16 1 1 A 31 31 ILE CB C 31 39.395 42.370 -2.975 1
1 378 . 16 1 1 A 31 31 ILE N N 31 119.416 119.824 -0.408 1
1 379 . 16 1 1 A 32 32 ILE H H 32 9.107 9.091 0.016 1
1 380 . 16 1 1 A 32 32 ILE HA H 32 4.842 4.868 -0.026 1
1 390 . 16 1 1 A 32 32 ILE CA C 32 59.002 59.858 -0.856 1
1 391 . 16 1 1 A 32 32 ILE CB C 32 42.048 42.195 -0.147 1
1 395 . 16 1 1 A 32 32 ILE N N 32 127.892 125.622 2.270 1
1 396 . 16 1 1 A 33 33 GLU H H 33 9.095 8.977 0.118 1
1 397 . 16 1 1 A 33 33 GLU HA H 33 4.642 4.707 -0.065 1
1 402 . 16 1 1 A 33 33 GLU CA C 33 54.985 55.130 -0.145 1
1 403 . 16 1 1 A 33 33 GLU CB C 33 31.672 31.051 0.621 1
1 405 . 16 1 1 A 33 33 GLU N N 33 128.157 126.288 1.869 1
1 406 . 16 1 1 A 34 34 GLN H H 34 8.725 8.196 0.529 1
1 407 . 16 1 1 A 34 34 GLN HA H 34 4.354 4.584 -0.230 1
1 414 . 16 1 1 A 34 34 GLN CA C 34 56.807 54.630 2.177 1
1 415 . 16 1 1 A 34 34 GLN CB C 34 30.119 30.531 -0.412 1
1 417 . 16 1 1 A 34 34 GLN N N 34 128.123 125.189 2.934 1
1 419 . 16 1 1 A 35 35 ASP H H 35 8.524 9.152 -0.628 1
1 420 . 16 1 1 A 35 35 ASP HA H 35 4.609 4.501 0.108 1
1 423 . 16 1 1 A 35 35 ASP CA C 35 54.226 55.151 -0.925 1
1 424 . 16 1 1 A 35 35 ASP CB C 35 41.429 39.061 2.368 1
1 425 . 16 1 1 A 35 35 ASP N N 35 122.485 122.879 -0.394 1
1 426 . 16 1 1 A 36 36 GLN H H 36 8.576 8.471 0.105 1
1 427 . 16 1 1 A 36 36 GLN HA H 36 4.041 4.080 -0.039 1
1 434 . 16 1 1 A 36 36 GLN CA C 36 56.662 56.595 0.067 1
1 435 . 16 1 1 A 36 36 GLN CB C 36 29.166 26.350 2.816 1
1 437 . 16 1 1 A 36 36 GLN N N 36 123.321 119.480 3.841 1
1 439 . 16 1 1 A 37 37 ALA H H 37 8.322 7.900 0.422 1
1 440 . 16 1 1 A 37 37 ALA HA H 37 4.232 4.397 -0.165 1
1 444 . 16 1 1 A 37 37 ALA CA C 37 53.231 51.501 1.730 1
1 445 . 16 1 1 A 37 37 ALA CB C 37 19.020 18.710 0.310 1
1 446 . 16 1 1 A 37 37 ALA N N 37 123.086 123.301 -0.215 1
1 447 . 16 1 1 A 38 38 SER H H 38 7.919 8.300 -0.381 1
1 448 . 16 1 1 A 38 38 SER HA H 38 4.283 4.319 -0.036 1
1 451 . 16 1 1 A 38 38 SER CA C 38 58.884 59.034 -0.150 1
1 452 . 16 1 1 A 38 38 SER CB C 38 63.835 61.714 2.121 1
1 453 . 16 1 1 A 38 38 SER N N 38 113.578 111.180 2.398 1
1 454 . 16 1 1 A 39 39 LYS H H 39 8.153 8.219 -0.066 1
1 455 . 16 1 1 A 39 39 LYS HA H 39 4.140 4.125 0.015 1
1 463 . 16 1 1 A 39 39 LYS CA C 39 57.127 58.928 -1.801 1
1 464 . 16 1 1 A 39 39 LYS CB C 39 32.812 32.128 0.684 1
1 468 . 16 1 1 A 39 39 LYS N N 39 122.651 126.636 -3.985 1
1 469 . 16 1 1 A 40 40 ASP H H 40 8.100 9.057 -0.957 1
1 470 . 16 1 1 A 40 40 ASP HA H 40 4.532 4.492 0.040 1
1 473 . 16 1 1 A 40 40 ASP CA C 40 54.376 55.435 -1.059 1
1 474 . 16 1 1 A 40 40 ASP CB C 40 41.245 39.280 1.965 1
1 475 . 16 1 1 A 40 40 ASP N N 40 119.441 118.462 0.979 1
1 476 . 16 1 1 A 41 41 PHE H H 41 7.924 8.678 -0.754 1
1 477 . 16 1 1 A 41 41 PHE HA H 41 4.384 4.745 -0.361 1
1 484 . 16 1 1 A 41 41 PHE CA C 41 58.704 59.546 -0.842 1
1 485 . 16 1 1 A 41 41 PHE CB C 41 39.397 40.500 -1.103 1
1 486 . 16 1 1 A 41 41 PHE N N 41 121.124 120.005 1.119 1
1 487 . 16 1 1 A 42 42 ASN H H 42 8.311 7.987 0.324 1
1 488 . 16 1 1 A 42 42 ASN HA H 42 4.523 4.912 -0.389 1
1 492 . 16 1 1 A 42 42 ASN CA C 42 53.133 53.312 -0.179 1
1 493 . 16 1 1 A 42 42 ASN CB C 42 38.801 41.920 -3.119 1
1 494 . 16 1 1 A 42 42 ASN N N 42 120.181 115.986 4.195 1
1 496 . 16 1 1 A 43 43 ARG H H 43 8.133 8.765 -0.632 1
1 497 . 16 1 1 A 43 43 ARG HA H 43 4.115 4.820 -0.705 1
1 504 . 16 1 1 A 43 43 ARG CA C 43 57.051 55.394 1.657 1
1 505 . 16 1 1 A 43 43 ARG CB C 43 30.514 30.890 -0.376 1
1 508 . 16 1 1 A 43 43 ARG N N 43 121.727 125.746 -4.019 1
1 509 . 16 1 1 A 44 44 SER H H 44 8.174 8.369 -0.195 1
1 510 . 16 1 1 A 44 44 SER HA H 44 4.286 4.929 -0.643 1
1 513 . 16 1 1 A 44 44 SER CA C 44 59.344 56.671 2.673 1
1 514 . 16 1 1 A 44 44 SER CB C 44 63.357 66.053 -2.696 1
1 515 . 16 1 1 A 44 44 SER N N 44 115.718 117.224 -1.506 1
1 516 . 16 1 1 A 45 45 LYS H H 45 7.963 8.644 -0.681 1
1 517 . 16 1 1 A 45 45 LYS HA H 45 4.123 4.138 -0.015 1
1 526 . 16 1 1 A 45 45 LYS CA C 45 56.866 59.231 -2.365 1
1 527 . 16 1 1 A 45 45 LYS CB C 45 32.777 32.645 0.132 1
1 530 . 16 1 1 A 45 45 LYS N N 45 122.326 119.557 2.769 1
1 531 . 16 1 1 A 46 46 ALA H H 46 7.965 7.765 0.200 1
1 532 . 16 1 1 A 46 46 ALA HA H 46 4.165 4.473 -0.308 1
1 536 . 16 1 1 A 46 46 ALA CA C 46 52.999 51.480 1.519 1
1 537 . 16 1 1 A 46 46 ALA CB C 46 18.944 20.054 -1.110 1
1 538 . 16 1 1 A 46 46 ALA N N 46 123.536 121.051 2.485 1
1 539 . 16 1 1 A 47 47 LEU H H 47 7.898 8.890 -0.992 1
1 540 . 16 1 1 A 47 47 LEU HA H 47 4.158 4.919 -0.761 1
1 550 . 16 1 1 A 47 47 LEU CA C 47 55.583 53.495 2.088 1
1 551 . 16 1 1 A 47 47 LEU CB C 47 42.404 46.840 -4.436 1
1 555 . 16 1 1 A 47 47 LEU N N 47 119.914 122.049 -2.135 1
1 556 . 16 1 1 A 48 48 PHE H H 48 7.981 8.571 -0.590 1
1 557 . 16 1 1 A 48 48 PHE HA H 48 4.539 5.386 -0.847 1
1 564 . 16 1 1 A 48 48 PHE CA C 48 58.033 56.302 1.731 1
1 565 . 16 1 1 A 48 48 PHE CB C 48 39.470 41.995 -2.525 1
1 566 . 16 1 1 A 48 48 PHE N N 48 119.602 117.481 2.121 1
1 567 . 16 1 1 A 49 49 SER H H 49 8.028 8.975 -0.947 1
1 568 . 16 1 1 A 49 49 SER HA H 49 4.332 4.784 -0.452 1
1 571 . 16 1 1 A 49 49 SER CA C 49 58.581 59.498 -0.917 1
1 572 . 16 1 1 A 49 49 SER CB C 49 63.866 65.683 -1.817 1
1 573 . 16 1 1 A 49 49 SER N N 49 116.270 115.117 1.153 1
1 574 . 16 1 1 A 50 50 GLN H H 50 8.266 7.989 0.277 1
1 575 . 16 1 1 A 50 50 GLN HA H 50 4.257 4.641 -0.384 1
1 582 . 16 1 1 A 50 50 GLN CA C 50 56.435 54.896 1.539 1
1 583 . 16 1 1 A 50 50 GLN CB C 50 29.204 28.778 0.426 1
1 585 . 16 1 1 A 50 50 GLN N N 50 121.931 117.331 4.600 1
1 587 . 16 1 1 A 51 51 SER H H 51 8.147 8.412 -0.265 1
1 588 . 16 1 1 A 51 51 SER HA H 51 4.338 4.218 0.120 1
1 591 . 16 1 1 A 51 51 SER CA C 51 58.645 59.090 -0.445 1
1 592 . 16 1 1 A 51 51 SER CB C 51 63.784 61.149 2.635 1
1 593 . 16 1 1 A 51 51 SER N N 51 115.676 111.186 4.490 1
1 594 . 16 1 1 A 52 52 ALA H H 52 8.175 8.332 -0.157 1
1 595 . 16 1 1 A 52 52 ALA HA H 52 4.265 4.407 -0.142 1
1 599 . 16 1 1 A 52 52 ALA CA C 52 53.031 53.081 -0.050 1
1 600 . 16 1 1 A 52 52 ALA CB C 52 18.941 20.241 -1.300 1
1 601 . 16 1 1 A 52 52 ALA N N 52 125.360 120.783 4.577 1
1 602 . 16 1 1 A 53 53 ILE H H 53 7.870 7.866 0.004 1
1 603 . 16 1 1 A 53 53 ILE HA H 53 4.099 4.399 -0.300 1
1 613 . 16 1 1 A 53 53 ILE CA C 53 61.558 60.450 1.108 1
1 614 . 16 1 1 A 53 53 ILE CB C 53 38.851 39.036 -0.185 1
1 618 . 16 1 1 A 53 53 ILE N N 53 118.231 118.092 0.139 1
1 619 . 16 1 1 A 54 54 SER H H 54 8.159 9.506 -1.347 1
1 620 . 16 1 1 A 54 54 SER HA H 54 4.384 4.419 -0.035 1
1 623 . 16 1 1 A 54 54 SER CA C 54 58.551 57.846 0.705 1
1 624 . 16 1 1 A 54 54 SER CB C 54 63.964 60.985 2.979 1
1 625 . 16 1 1 A 54 54 SER N N 54 118.588 126.055 -7.467 1
1 626 . 16 1 1 A 55 55 GLN H H 55 8.301 8.196 0.105 1
1 627 . 16 1 1 A 55 55 GLN HA H 55 4.214 3.424 0.790 1
1 634 . 16 1 1 A 55 55 GLN CA C 55 56.547 58.683 -2.136 1
1 635 . 16 1 1 A 55 55 GLN CB C 55 29.292 28.075 1.217 1
1 637 . 16 1 1 A 55 55 GLN N N 55 122.173 125.746 -3.573 1
1 639 . 16 1 1 A 56 56 LYS H H 56 8.163 8.595 -0.432 1
1 640 . 16 1 1 A 56 56 LYS HA H 56 4.177 4.133 0.044 1
1 647 . 16 1 1 A 56 56 LYS CA C 56 56.978 59.218 -2.240 1
1 648 . 16 1 1 A 56 56 LYS CB C 56 32.855 31.978 0.877 1
1 651 . 16 1 1 A 56 56 LYS N N 56 121.126 116.942 4.184 1
1 652 . 16 1 1 A 57 57 GLU H H 57 8.211 8.094 0.117 1
1 653 . 16 1 1 A 57 57 GLU HA H 57 4.151 4.649 -0.498 1
1 658 . 16 1 1 A 57 57 GLU CA C 57 57.058 55.871 1.187 1
1 659 . 16 1 1 A 57 57 GLU CB C 57 30.211 31.201 -0.990 1
1 661 . 16 1 1 A 57 57 GLU N N 57 120.615 118.047 2.568 1
1 662 . 16 1 1 A 58 58 TYR H H 58 8.070 7.797 0.273 1
1 663 . 16 1 1 A 58 58 TYR HA H 58 4.375 4.384 -0.009 1
1 670 . 16 1 1 A 58 58 TYR CA C 58 58.570 57.843 0.727 1
1 671 . 16 1 1 A 58 58 TYR CB C 58 38.962 39.460 -0.498 1
1 672 . 16 1 1 A 58 58 TYR N N 58 120.822 119.403 1.419 1
1 673 . 16 1 1 A 59 59 ASP H H 59 8.146 8.890 -0.744 1
1 674 . 16 1 1 A 59 59 ASP HA H 59 4.492 4.745 -0.253 1
1 677 . 16 1 1 A 59 59 ASP CA C 59 54.396 52.238 2.158 1
1 678 . 16 1 1 A 59 59 ASP CB C 59 41.086 43.649 -2.563 1
1 679 . 16 1 1 A 59 59 ASP N N 59 122.551 120.862 1.689 1
1 680 . 16 1 1 A 60 60 SER H H 60 8.253 8.727 -0.474 1
1 681 . 16 1 1 A 60 60 SER HA H 60 4.260 4.331 -0.071 1
1 684 . 16 1 1 A 60 60 SER CA C 60 59.533 59.992 -0.459 1
1 685 . 16 1 1 A 60 60 SER CB C 60 63.422 63.779 -0.357 1
1 686 . 16 1 1 A 60 60 SER N N 60 117.657 116.717 0.940 1
1 687 . 16 1 1 A 61 61 SER H H 61 8.344 8.291 0.053 1
1 688 . 16 1 1 A 61 61 SER HA H 61 4.307 4.290 0.017 1
1 691 . 16 1 1 A 61 61 SER CA C 61 59.755 62.051 -2.296 1
1 692 . 16 1 1 A 61 61 SER CB C 61 63.582 62.534 1.048 1
1 693 . 16 1 1 A 61 61 SER N N 61 118.129 116.062 2.067 1
1 694 . 16 1 1 A 62 62 LEU H H 62 7.759 7.796 -0.037 1
1 695 . 16 1 1 A 62 62 LEU HA H 62 4.234 4.133 0.101 1
1 705 . 16 1 1 A 62 62 LEU CA C 62 55.464 57.510 -2.046 1
1 706 . 16 1 1 A 62 62 LEU CB C 62 42.238 41.532 0.706 1
1 710 . 16 1 1 A 62 62 LEU N N 62 122.627 118.427 4.200 1
1 711 . 16 1 1 A 63 63 ALA H H 63 7.919 7.124 0.795 1
1 712 . 16 1 1 A 63 63 ALA HA H 63 4.276 4.375 -0.099 1
1 716 . 16 1 1 A 63 63 ALA CA C 63 52.922 52.034 0.888 1
1 717 . 16 1 1 A 63 63 ALA CB C 63 19.221 20.077 -0.856 1
1 718 . 16 1 1 A 63 63 ALA N N 63 123.444 123.272 0.172 1
1 719 . 16 1 1 A 64 64 THR H H 64 7.890 8.798 -0.908 1
1 720 . 16 1 1 A 64 64 THR HA H 64 4.217 4.295 -0.078 1
1 725 . 16 1 1 A 64 64 THR CA C 64 61.787 62.031 -0.244 1
1 726 . 16 1 1 A 64 64 THR CB C 64 69.719 68.756 0.963 1
1 728 . 16 1 1 A 64 64 THR N N 64 112.279 112.567 -0.288 1
1 729 . 16 1 1 A 65 65 LEU H H 65 8.009 8.364 -0.355 1
1 730 . 16 1 1 A 65 65 LEU HA H 65 4.295 4.977 -0.682 1
1 740 . 16 1 1 A 65 65 LEU CA C 65 55.345 52.807 2.538 1
1 741 . 16 1 1 A 65 65 LEU CB C 65 42.412 42.353 0.059 1
1 745 . 16 1 1 A 65 65 LEU N N 65 123.586 119.181 4.405 1
1 746 . 16 1 1 A 66 66 ASP H H 66 8.288 8.710 -0.422 1
1 747 . 16 1 1 A 66 66 ASP HA H 66 4.564 4.571 -0.007 1
1 750 . 16 1 1 A 66 66 ASP CA C 66 54.676 55.145 -0.469 1
1 751 . 16 1 1 A 66 66 ASP CB C 66 41.376 40.818 0.558 1
1 752 . 16 1 1 A 66 66 ASP N N 66 120.344 125.820 -5.476 1
1 753 . 16 1 1 A 67 67 HIS H H 67 8.058 9.079 -1.021 1
1 754 . 16 1 1 A 67 67 HIS HA H 67 5.247 5.317 -0.070 1
1 758 . 16 1 1 A 67 67 HIS CA C 67 55.260 54.271 0.989 1
1 759 . 16 1 1 A 67 67 HIS CB C 67 31.974 32.824 -0.850 1
1 760 . 16 1 1 A 67 67 HIS N N 67 119.406 121.630 -2.224 1
1 761 . 16 1 1 A 68 68 THR H H 68 8.919 9.309 -0.390 1
1 762 . 16 1 1 A 68 68 THR HA H 68 4.484 4.766 -0.282 1
1 767 . 16 1 1 A 68 68 THR CA C 68 62.542 61.481 1.061 1
1 768 . 16 1 1 A 68 68 THR CB C 68 71.067 70.767 0.300 1
1 770 . 16 1 1 A 68 68 THR N N 68 117.233 116.295 0.938 1
1 771 . 16 1 1 A 69 69 GLU H H 69 8.649 8.505 0.144 1
1 772 . 16 1 1 A 69 69 GLU HA H 69 4.703 4.446 0.257 1
1 777 . 16 1 1 A 69 69 GLU CA C 69 55.886 55.832 0.054 1
1 778 . 16 1 1 A 69 69 GLU CB C 69 31.746 30.709 1.037 1
1 780 . 16 1 1 A 69 69 GLU N N 69 124.187 125.947 -1.760 1
1 781 . 16 1 1 A 70 70 ILE H H 70 8.601 8.966 -0.365 1
1 782 . 16 1 1 A 70 70 ILE HA H 70 4.405 4.621 -0.216 1
1 792 . 16 1 1 A 70 70 ILE CA C 70 59.234 60.705 -1.471 1
1 793 . 16 1 1 A 70 70 ILE CB C 70 37.318 39.722 -2.404 1
1 797 . 16 1 1 A 70 70 ILE N N 70 123.482 122.192 1.290 1
1 798 . 16 1 1 A 71 71 LYS H H 71 8.926 8.458 0.468 1
1 799 . 16 1 1 A 71 71 LYS HA H 71 5.078 4.960 0.118 1
1 806 . 16 1 1 A 71 71 LYS CA C 71 54.584 55.898 -1.314 1
1 807 . 16 1 1 A 71 71 LYS CB C 71 36.281 33.494 2.787 1
1 810 . 16 1 1 A 71 71 LYS N N 71 128.267 126.041 2.226 1
1 811 . 16 1 1 A 72 72 ALA H H 72 8.633 8.862 -0.229 1
1 812 . 16 1 1 A 72 72 ALA HA H 72 4.067 4.436 -0.369 1
1 816 . 16 1 1 A 72 72 ALA CA C 72 49.967 50.807 -0.840 1
1 817 . 16 1 1 A 72 72 ALA CB C 72 17.255 17.710 -0.455 1
1 818 . 16 1 1 A 72 72 ALA N N 72 123.088 123.095 -0.007 1
1 819 . 16 1 1 A 73 73 PRO HA H 73 4.333 4.454 -0.121 1
1 826 . 16 1 1 A 73 73 PRO CA C 73 63.716 64.574 -0.858 1
1 827 . 16 1 1 A 73 73 PRO CB C 73 31.915 32.063 -0.148 1
1 830 . 16 1 1 A 74 74 PHE H H 74 6.768 6.894 -0.126 1
1 831 . 16 1 1 A 74 74 PHE HA H 74 4.421 4.903 -0.482 1
1 838 . 16 1 1 A 74 74 PHE CA C 74 54.396 56.173 -1.777 1
1 839 . 16 1 1 A 74 74 PHE CB C 74 40.697 40.897 -0.200 1
1 840 . 16 1 1 A 74 74 PHE N N 74 112.022 112.012 0.010 1
1 841 . 16 1 1 A 75 75 ASP H H 75 8.583 8.880 -0.297 1
1 842 . 16 1 1 A 75 75 ASP HA H 75 4.922 4.517 0.405 1
1 845 . 16 1 1 A 75 75 ASP CA C 75 53.873 54.231 -0.358 1
1 846 . 16 1 1 A 75 75 ASP CB C 75 40.839 41.643 -0.804 1
1 847 . 16 1 1 A 75 75 ASP N N 75 118.252 120.399 -2.147 1
1 848 . 16 1 1 A 76 76 GLY H H 76 8.348 8.298 0.050 1
1 849 . 16 1 1 A 76 76 GLY HA2 H 76 4.236 4.291 -0.055 1
1 850 . 16 1 1 A 76 76 GLY HA3 H 76 4.075 4.319 -0.244 1
1 851 . 16 1 1 A 76 76 GLY CA C 76 46.639 45.067 1.572 1
1 852 . 16 1 1 A 76 76 GLY N N 76 108.729 106.605 2.124 1
1 853 . 16 1 1 A 77 77 THR H H 77 8.623 8.213 0.410 1
1 854 . 16 1 1 A 77 77 THR HA H 77 4.975 5.066 -0.091 1
1 859 . 16 1 1 A 77 77 THR CA C 77 61.752 61.453 0.299 1
1 860 . 16 1 1 A 77 77 THR CB C 77 70.121 70.800 -0.679 1
1 862 . 16 1 1 A 77 77 THR N N 77 116.400 116.407 -0.007 1
1 863 . 16 1 1 A 78 78 ILE H H 78 8.824 8.782 0.042 1
1 864 . 16 1 1 A 78 78 ILE HA H 78 4.673 4.922 -0.249 1
1 874 . 16 1 1 A 78 78 ILE CA C 78 60.164 59.873 0.291 1
1 875 . 16 1 1 A 78 78 ILE CB C 78 42.973 40.666 2.307 1
1 879 . 16 1 1 A 78 78 ILE N N 78 129.310 128.903 0.407 1
1 880 . 16 1 1 A 79 79 GLY H H 79 8.060 8.403 -0.343 1
1 881 . 16 1 1 A 79 79 GLY HA2 H 79 4.404 4.169 0.235 1
1 882 . 16 1 1 A 79 79 GLY HA3 H 79 3.775 4.177 -0.402 1
1 883 . 16 1 1 A 79 79 GLY CA C 79 44.149 44.631 -0.482 1
1 884 . 16 1 1 A 79 79 GLY N N 79 114.539 115.952 -1.413 1
1 885 . 16 1 1 A 80 80 ASP H H 80 7.804 8.542 -0.738 1
1 886 . 16 1 1 A 80 80 ASP HA H 80 4.703 5.533 -0.830 1
1 889 . 16 1 1 A 80 80 ASP CA C 80 53.703 51.981 1.722 1
1 890 . 16 1 1 A 80 80 ASP CB C 80 41.918 42.383 -0.465 1
1 891 . 16 1 1 A 80 80 ASP N N 80 113.688 119.680 -5.992 1
1 892 . 16 1 1 A 81 81 ALA H H 81 8.566 8.890 -0.324 1
1 893 . 16 1 1 A 81 81 ALA HA H 81 4.571 4.893 -0.322 1
1 897 . 16 1 1 A 81 81 ALA CA C 81 53.312 50.892 2.420 1
1 898 . 16 1 1 A 81 81 ALA CB C 81 20.381 21.404 -1.023 1
1 899 . 16 1 1 A 81 81 ALA N N 81 124.136 123.097 1.039 1
1 900 . 16 1 1 A 82 82 LEU H H 82 8.747 8.816 -0.069 1
1 901 . 16 1 1 A 82 82 LEU HA H 82 4.345 4.467 -0.122 1
1 910 . 16 1 1 A 82 82 LEU CA C 82 55.210 55.761 -0.551 1
1 911 . 16 1 1 A 82 82 LEU CB C 82 41.457 43.111 -1.654 1
1 914 . 16 1 1 A 82 82 LEU N N 82 121.773 120.531 1.242 1
1 915 . 16 1 1 A 83 83 VAL H H 83 7.141 7.325 -0.184 1
1 916 . 16 1 1 A 83 83 VAL HA H 83 4.496 4.696 -0.200 1
1 924 . 16 1 1 A 83 83 VAL CA C 83 58.502 59.738 -1.236 1
1 925 . 16 1 1 A 83 83 VAL CB C 83 35.229 34.483 0.746 1
1 928 . 16 1 1 A 83 83 VAL N N 83 108.169 113.754 -5.585 1
1 929 . 16 1 1 A 84 84 ASN H H 84 9.076 8.712 0.364 1
1 930 . 16 1 1 A 84 84 ASN HA H 84 4.887 5.230 -0.343 1
1 935 . 16 1 1 A 84 84 ASN CA C 84 51.248 51.570 -0.322 1
1 936 . 16 1 1 A 84 84 ASN CB C 84 41.989 41.859 0.130 1
1 937 . 16 1 1 A 84 84 ASN N N 84 119.502 118.567 0.935 1
1 939 . 16 1 1 A 85 85 ILE H H 85 8.404 8.442 -0.038 1
1 940 . 16 1 1 A 85 85 ILE HA H 85 3.393 4.147 -0.754 1
1 950 . 16 1 1 A 85 85 ILE CA C 85 63.873 62.287 1.586 1
1 951 . 16 1 1 A 85 85 ILE CB C 85 37.146 38.581 -1.435 1
1 955 . 16 1 1 A 85 85 ILE N N 85 119.409 121.159 -1.750 1
1 956 . 16 1 1 A 86 86 GLY H H 86 9.239 8.616 0.623 1
1 957 . 16 1 1 A 86 86 GLY HA2 H 86 4.401 3.895 0.506 1
1 958 . 16 1 1 A 86 86 GLY HA3 H 86 3.411 3.903 -0.492 1
1 959 . 16 1 1 A 86 86 GLY CA C 86 44.869 45.652 -0.783 1
1 960 . 16 1 1 A 86 86 GLY N N 86 117.321 115.415 1.906 1
1 961 . 16 1 1 A 87 87 ASP H H 87 7.968 7.916 0.052 1
1 962 . 16 1 1 A 87 87 ASP HA H 87 4.607 5.015 -0.408 1
1 965 . 16 1 1 A 87 87 ASP CA C 87 54.886 53.028 1.858 1
1 966 . 16 1 1 A 87 87 ASP CB C 87 40.771 42.892 -2.121 1
1 967 . 16 1 1 A 87 87 ASP N N 87 121.490 120.812 0.678 1
1 968 . 16 1 1 A 88 88 TYR H H 88 8.566 8.994 -0.428 1
1 969 . 16 1 1 A 88 88 TYR HA H 88 4.712 4.930 -0.218 1
1 976 . 16 1 1 A 88 88 TYR CA C 88 57.826 59.692 -1.866 1
1 977 . 16 1 1 A 88 88 TYR CB C 88 39.243 39.345 -0.102 1
1 978 . 16 1 1 A 88 88 TYR N N 88 122.340 127.224 -4.884 1
1 979 . 16 1 1 A 89 89 VAL H H 89 8.951 8.593 0.358 1
1 980 . 16 1 1 A 89 89 VAL HA H 89 4.578 4.855 -0.277 1
1 988 . 16 1 1 A 89 89 VAL CA C 89 58.339 59.151 -0.812 1
1 989 . 16 1 1 A 89 89 VAL CB C 89 34.321 35.556 -1.235 1
1 992 . 16 1 1 A 89 89 VAL N N 89 121.914 120.883 1.031 1
1 993 . 16 1 1 A 90 90 SER H H 90 8.777 8.628 0.149 1
1 994 . 16 1 1 A 90 90 SER HA H 90 4.750 4.519 0.231 1
1 997 . 16 1 1 A 90 90 SER CA C 90 56.895 57.739 -0.844 1
1 998 . 16 1 1 A 90 90 SER CB C 90 64.866 64.851 0.015 1
1 999 . 16 1 1 A 90 90 SER N N 90 114.813 119.253 -4.440 1
1 1000 . 16 1 1 A 91 91 ALA H H 91 8.712 8.666 0.046 1
1 1001 . 16 1 1 A 91 91 ALA HA H 91 3.515 4.737 -1.222 1
1 1005 . 16 1 1 A 91 91 ALA CA C 91 53.317 51.387 1.930 1
1 1006 . 16 1 1 A 91 91 ALA CB C 91 18.678 20.104 -1.426 1
1 1007 . 16 1 1 A 91 91 ALA N N 91 129.870 124.381 5.489 1
1 1008 . 16 1 1 A 92 92 SER H H 92 9.170 8.961 0.209 1
1 1009 . 16 1 1 A 92 92 SER HA H 92 3.817 4.374 -0.557 1
1 1012 . 16 1 1 A 92 92 SER CA C 92 60.652 61.177 -0.525 1
1 1013 . 16 1 1 A 92 92 SER CB C 92 62.505 62.962 -0.457 1
1 1014 . 16 1 1 A 92 92 SER N N 92 113.294 112.313 0.981 1
1 1015 . 16 1 1 A 93 93 THR H H 93 7.816 7.750 0.066 1
1 1016 . 16 1 1 A 93 93 THR HA H 93 4.402 4.200 0.202 1
1 1021 . 16 1 1 A 93 93 THR CA C 93 64.378 66.460 -2.082 1
1 1022 . 16 1 1 A 93 93 THR CB C 93 70.948 68.862 2.086 1
1 1024 . 16 1 1 A 93 93 THR N N 93 113.858 116.046 -2.188 1
1 1025 . 16 1 1 A 94 94 THR H H 94 7.702 7.675 0.027 1
1 1026 . 16 1 1 A 94 94 THR HA H 94 3.910 4.417 -0.507 1
1 1031 . 16 1 1 A 94 94 THR CA C 94 65.140 61.468 3.672 1
1 1032 . 16 1 1 A 94 94 THR CB C 94 70.001 68.812 1.189 1
1 1034 . 16 1 1 A 94 94 THR N N 94 119.588 114.706 4.882 1
1 1035 . 16 1 1 A 95 95 GLU H H 95 8.407 8.307 0.100 1
1 1036 . 16 1 1 A 95 95 GLU HA H 95 3.801 4.480 -0.679 1
1 1041 . 16 1 1 A 95 95 GLU CA C 95 56.613 55.987 0.626 1
1 1042 . 16 1 1 A 95 95 GLU CB C 95 29.600 28.691 0.909 1
1 1044 . 16 1 1 A 95 95 GLU N N 95 124.764 124.618 0.146 1
1 1045 . 16 1 1 A 96 96 LEU H H 96 8.750 7.892 0.858 1
1 1046 . 16 1 1 A 96 96 LEU HA H 96 4.260 3.992 0.268 1
1 1056 . 16 1 1 A 96 96 LEU CA C 96 56.927 56.807 0.120 1
1 1057 . 16 1 1 A 96 96 LEU CB C 96 43.310 41.744 1.566 1
1 1061 . 16 1 1 A 96 96 LEU N N 96 120.035 121.147 -1.112 1
1 1062 . 16 1 1 A 97 97 VAL H H 97 7.053 7.208 -0.155 1
1 1063 . 16 1 1 A 97 97 VAL HA H 97 4.345 4.311 0.034 1
1 1071 . 16 1 1 A 97 97 VAL CA C 97 61.291 60.260 1.031 1
1 1072 . 16 1 1 A 97 97 VAL CB C 97 31.577 34.146 -2.569 1
1 1075 . 16 1 1 A 97 97 VAL N N 97 112.365 117.077 -4.712 1
1 1076 . 16 1 1 A 98 98 ARG H H 98 8.980 8.722 0.258 1
1 1077 . 16 1 1 A 98 98 ARG HA H 98 5.267 4.914 0.353 1
1 1084 . 16 1 1 A 98 98 ARG CA C 98 55.195 53.916 1.279 1
1 1085 . 16 1 1 A 98 98 ARG CB C 98 32.818 33.951 -1.133 1
1 1088 . 16 1 1 A 98 98 ARG N N 98 127.477 123.983 3.494 1
1 1089 . 16 1 1 A 99 99 VAL H H 99 8.887 8.522 0.365 1
1 1090 . 16 1 1 A 99 99 VAL HA H 99 4.556 4.907 -0.351 1
1 1095 . 16 1 1 A 99 99 VAL CA C 99 60.968 61.033 -0.065 1
1 1096 . 16 1 1 A 99 99 VAL CB C 99 34.186 33.999 0.187 1
1 1098 . 16 1 1 A 99 99 VAL N N 99 122.826 122.446 0.380 1
1 1099 . 16 1 1 A 100 100 THR H H 100 8.833 8.841 -0.008 1
1 1100 . 16 1 1 A 100 100 THR HA H 100 4.559 4.852 -0.293 1
1 1105 . 16 1 1 A 100 100 THR CA C 100 61.080 60.281 0.799 1
1 1106 . 16 1 1 A 100 100 THR CB C 100 70.669 71.532 -0.863 1
1 1108 . 16 1 1 A 100 100 THR N N 100 121.816 116.176 5.640 1
1 1109 . 16 1 1 A 101 101 ASN H H 101 8.153 9.210 -1.057 1
1 1110 . 16 1 1 A 101 101 ASN HA H 101 4.518 4.661 -0.143 1
1 1115 . 16 1 1 A 101 101 ASN CA C 101 54.238 54.876 -0.638 1
1 1116 . 16 1 1 A 101 101 ASN CB C 101 38.470 38.246 0.224 1
1 1117 . 16 1 1 A 101 101 ASN N N 101 122.733 118.581 4.152 1
1 1119 . 16 1 1 A 102 102 LEU H H 102 8.160 8.852 -0.692 1
1 1120 . 16 1 1 A 102 102 LEU HA H 102 4.245 4.271 -0.026 1
1 1130 . 16 1 1 A 102 102 LEU CA C 102 55.449 56.823 -1.374 1
1 1131 . 16 1 1 A 102 102 LEU CB C 102 42.549 41.455 1.094 1
1 1135 . 16 1 1 A 102 102 LEU N N 102 122.544 119.745 2.799 1
1 1136 . 16 1 1 A 103 103 ASN H H 103 8.405 8.595 -0.190 1
1 1137 . 16 1 1 A 103 103 ASN HA H 103 4.867 4.724 0.143 1
1 1142 . 16 1 1 A 103 103 ASN CA C 103 51.316 51.932 -0.616 1
1 1143 . 16 1 1 A 103 103 ASN CB C 103 39.049 37.528 1.521 1
1 1144 . 16 1 1 A 103 103 ASN N N 103 120.174 121.589 -1.415 1
1 1146 . 16 1 1 A 104 104 PRO HA H 104 4.230 4.781 -0.551 1
1 1153 . 16 1 1 A 104 104 PRO CA C 104 63.559 62.602 0.957 1
1 1154 . 16 1 1 A 104 104 PRO CB C 104 32.102 30.592 1.510 1
1 1157 . 16 1 1 A 105 105 ILE H H 105 7.886 8.077 -0.191 1
1 1158 . 16 1 1 A 105 105 ILE HA H 105 3.941 4.638 -0.697 1
1 1168 . 16 1 1 A 105 105 ILE CA C 105 61.348 59.588 1.760 1
1 1169 . 16 1 1 A 105 105 ILE CB C 105 38.569 39.958 -1.389 1
1 1173 . 16 1 1 A 105 105 ILE N N 105 119.390 124.792 -5.402 1
1 1174 . 16 1 1 A 106 106 TYR H H 106 7.961 8.345 -0.384 1
1 1175 . 16 1 1 A 106 106 TYR HA H 106 4.536 5.256 -0.720 1
1 1182 . 16 1 1 A 106 106 TYR CA C 106 57.370 56.851 0.519 1
1 1183 . 16 1 1 A 106 106 TYR CB C 106 38.889 40.533 -1.644 1
1 1184 . 16 1 1 A 106 106 TYR N N 106 123.172 121.892 1.280 1
1 1185 . 16 1 1 A 107 107 ALA H H 107 8.128 8.617 -0.489 1
1 1186 . 16 1 1 A 107 107 ALA HA H 107 4.217 4.944 -0.727 1
1 1190 . 16 1 1 A 107 107 ALA CA C 107 52.724 51.971 0.753 1
1 1191 . 16 1 1 A 107 107 ALA CB C 107 19.133 21.427 -2.294 1
1 1192 . 16 1 1 A 107 107 ALA N N 107 125.520 121.356 4.164 1
1 1193 . 16 1 1 A 108 108 ASP H H 108 8.147 8.929 -0.782 1
1 1194 . 16 1 1 A 108 108 ASP HA H 108 4.511 5.289 -0.778 1
1 1197 . 16 1 1 A 108 108 ASP CA C 108 54.342 52.758 1.584 1
1 1198 . 16 1 1 A 108 108 ASP CB C 108 41.240 44.655 -3.415 1
1 1199 . 16 1 1 A 108 108 ASP N N 108 119.219 122.617 -3.398 1
1 1200 . 16 1 1 A 109 109 GLY H H 109 8.313 8.758 -0.445 1
1 1201 . 16 1 1 A 109 109 GLY HA2 H 109 3.946 3.935 0.011 1
1 1202 . 16 1 1 A 109 109 GLY HA3 H 109 3.848 4.002 -0.154 1
1 1203 . 16 1 1 A 109 109 GLY CA C 109 45.692 46.861 -1.169 1
1 1204 . 16 1 1 A 109 109 GLY N N 109 109.478 111.853 -2.375 1
1 1205 . 16 1 1 A 110 110 SER H H 110 8.175 8.100 0.075 1
1 1206 . 16 1 1 A 110 110 SER HA H 110 4.286 4.221 0.065 1
1 1209 . 16 1 1 A 110 110 SER CA C 110 59.296 61.334 -2.038 1
1 1210 . 16 1 1 A 110 110 SER CB C 110 63.825 63.730 0.095 1
1 1211 . 16 1 1 A 110 110 SER N N 110 115.660 117.050 -1.390 1
1 1212 . 16 1 1 A 111 111 HIS HA H 111 4.527 4.420 0.107 1
1 1215 . 16 1 1 A 111 111 HIS CA C 111 56.109 56.490 -0.381 1
1 1216 . 16 1 1 A 111 111 HIS CB C 111 30.580 27.672 2.908 1
1 1217 . 16 1 1 A 112 112 HIS HA H 112 4.535 4.902 -0.367 1
1 1220 . 16 1 1 A 112 112 HIS CA C 112 57.411 54.413 2.998 1
1 1221 . 16 1 1 A 112 112 HIS CB C 112 30.756 29.927 0.829 1
1 2 . 17 1 1 A 2 2 VAL H H 2 8.613 7.726 0.887 1
1 3 . 17 1 1 A 2 2 VAL HA H 2 4.487 4.800 -0.313 1
1 11 . 17 1 1 A 2 2 VAL CA C 2 61.103 60.544 0.559 1
1 12 . 17 1 1 A 2 2 VAL CB C 2 35.731 36.156 -0.425 1
1 15 . 17 1 1 A 2 2 VAL N N 2 117.956 121.473 -3.517 1
1 16 . 17 1 1 A 3 3 ILE H H 3 8.439 8.888 -0.449 1
1 17 . 17 1 1 A 3 3 ILE HA H 3 4.498 4.848 -0.350 1
1 27 . 17 1 1 A 3 3 ILE CA C 3 60.172 59.506 0.666 1
1 28 . 17 1 1 A 3 3 ILE CB C 3 38.528 39.190 -0.662 1
1 32 . 17 1 1 A 3 3 ILE N N 3 125.643 126.688 -1.045 1
1 33 . 17 1 1 A 4 4 ILE H H 4 8.543 8.551 -0.008 1
1 34 . 17 1 1 A 4 4 ILE HA H 4 4.005 4.489 -0.484 1
1 44 . 17 1 1 A 4 4 ILE CA C 4 61.550 60.914 0.636 1
1 45 . 17 1 1 A 4 4 ILE CB C 4 38.038 37.032 1.006 1
1 49 . 17 1 1 A 4 4 ILE N N 4 127.460 128.791 -1.331 1
1 50 . 17 1 1 A 5 5 LYS H H 5 8.292 8.786 -0.494 1
1 51 . 17 1 1 A 5 5 LYS HA H 5 5.173 4.723 0.450 1
1 60 . 17 1 1 A 5 5 LYS CA C 5 53.276 52.969 0.307 1
1 61 . 17 1 1 A 5 5 LYS CB C 5 33.713 34.321 -0.608 1
1 65 . 17 1 1 A 5 5 LYS N N 5 126.677 126.629 0.048 1
1 66 . 17 1 1 A 6 6 PRO HA H 6 4.383 4.698 -0.315 1
1 73 . 17 1 1 A 6 6 PRO CA C 6 62.444 62.706 -0.262 1
1 74 . 17 1 1 A 6 6 PRO CB C 6 32.018 33.254 -1.236 1
1 77 . 17 1 1 A 7 7 GLN H H 7 9.359 8.267 1.092 1
1 78 . 17 1 1 A 7 7 GLN HA H 7 4.406 4.531 -0.125 1
1 85 . 17 1 1 A 7 7 GLN CA C 7 56.357 55.039 1.318 1
1 86 . 17 1 1 A 7 7 GLN CB C 7 28.784 29.220 -0.436 1
1 88 . 17 1 1 A 7 7 GLN N N 7 119.975 116.427 3.548 1
1 90 . 17 1 1 A 8 8 VAL H H 8 7.032 7.430 -0.398 1
1 91 . 17 1 1 A 8 8 VAL HA H 8 4.486 4.669 -0.183 1
1 99 . 17 1 1 A 8 8 VAL CA C 8 58.874 59.186 -0.312 1
1 100 . 17 1 1 A 8 8 VAL CB C 8 35.169 35.857 -0.688 1
1 103 . 17 1 1 A 8 8 VAL N N 8 111.122 116.360 -5.238 1
1 104 . 17 1 1 A 9 9 SER H H 9 8.210 8.654 -0.444 1
1 105 . 17 1 1 A 9 9 SER HA H 9 4.957 4.751 0.206 1
1 108 . 17 1 1 A 9 9 SER CA C 9 56.585 57.935 -1.350 1
1 109 . 17 1 1 A 9 9 SER CB C 9 64.442 63.998 0.444 1
1 110 . 17 1 1 A 9 9 SER N N 9 115.043 119.835 -4.792 1
1 111 . 17 1 1 A 10 10 GLY H H 10 8.003 7.819 0.184 1
1 112 . 17 1 1 A 10 10 GLY HA2 H 10 4.412 4.150 0.262 1
1 113 . 17 1 1 A 10 10 GLY HA3 H 10 3.645 4.165 -0.520 1
1 114 . 17 1 1 A 10 10 GLY CA C 10 45.292 46.090 -0.798 1
1 115 . 17 1 1 A 10 10 GLY N N 10 108.708 111.297 -2.589 1
1 116 . 17 1 1 A 11 11 VAL H H 11 8.006 7.930 0.076 1
1 117 . 17 1 1 A 11 11 VAL HA H 11 4.743 4.753 -0.010 1
1 125 . 17 1 1 A 11 11 VAL CA C 11 60.539 60.658 -0.119 1
1 126 . 17 1 1 A 11 11 VAL CB C 11 34.951 35.805 -0.854 1
1 129 . 17 1 1 A 11 11 VAL N N 11 118.308 120.217 -1.909 1
1 130 . 17 1 1 A 12 12 ILE H H 12 8.459 8.409 0.050 1
1 131 . 17 1 1 A 12 12 ILE HA H 12 4.050 4.297 -0.247 1
1 141 . 17 1 1 A 12 12 ILE CA C 12 60.287 62.607 -2.320 1
1 142 . 17 1 1 A 12 12 ILE CB C 12 35.650 37.370 -1.720 1
1 146 . 17 1 1 A 12 12 ILE N N 12 125.265 126.214 -0.949 1
1 147 . 17 1 1 A 13 13 VAL H H 13 8.908 9.114 -0.206 1
1 148 . 17 1 1 A 13 13 VAL HA H 13 4.500 3.925 0.575 1
1 156 . 17 1 1 A 13 13 VAL CA C 13 62.126 64.269 -2.143 1
1 157 . 17 1 1 A 13 13 VAL CB C 13 33.291 32.304 0.987 1
1 160 . 17 1 1 A 13 13 VAL N N 13 124.479 129.148 -4.669 1
1 161 . 17 1 1 A 14 14 ASN H H 14 7.653 7.737 -0.084 1
1 162 . 17 1 1 A 14 14 ASN HA H 14 4.819 5.147 -0.328 1
1 167 . 17 1 1 A 14 14 ASN CA C 14 52.806 52.556 0.250 1
1 168 . 17 1 1 A 14 14 ASN CB C 14 41.978 41.985 -0.007 1
1 169 . 17 1 1 A 14 14 ASN N N 14 114.961 114.984 -0.023 1
1 171 . 17 1 1 A 15 15 LYS H H 15 8.404 8.796 -0.392 1
1 172 . 17 1 1 A 15 15 LYS HA H 15 4.641 5.301 -0.660 1
1 179 . 17 1 1 A 15 15 LYS CA C 15 55.935 54.958 0.977 1
1 180 . 17 1 1 A 15 15 LYS CB C 15 35.274 34.674 0.600 1
1 183 . 17 1 1 A 15 15 LYS N N 15 123.768 120.951 2.817 1
1 184 . 17 1 1 A 16 16 LEU H H 16 8.020 9.022 -1.002 1
1 185 . 17 1 1 A 16 16 LEU HA H 16 4.611 4.519 0.092 1
1 195 . 17 1 1 A 16 16 LEU CA C 16 55.124 53.312 1.812 1
1 196 . 17 1 1 A 16 16 LEU CB C 16 41.308 41.676 -0.368 1
1 200 . 17 1 1 A 16 16 LEU N N 16 126.162 123.264 2.898 1
1 201 . 17 1 1 A 17 17 PHE H H 17 6.573 8.318 -1.745 1
1 202 . 17 1 1 A 17 17 PHE HA H 17 4.862 4.914 -0.052 1
1 207 . 17 1 1 A 17 17 PHE CA C 17 55.528 55.874 -0.346 1
1 208 . 17 1 1 A 17 17 PHE CB C 17 41.093 43.257 -2.164 1
1 209 . 17 1 1 A 17 17 PHE N N 17 113.628 122.023 -8.395 1
1 210 . 17 1 1 A 18 18 LYS H H 18 8.655 8.872 -0.217 1
1 211 . 17 1 1 A 18 18 LYS HA H 18 4.333 4.921 -0.588 1
1 220 . 17 1 1 A 18 18 LYS CA C 18 54.277 54.584 -0.307 1
1 221 . 17 1 1 A 18 18 LYS CB C 18 35.134 35.569 -0.435 1
1 225 . 17 1 1 A 18 18 LYS N N 18 120.572 120.674 -0.102 1
1 226 . 17 1 1 A 19 19 ALA H H 19 8.407 8.633 -0.226 1
1 227 . 17 1 1 A 19 19 ALA HA H 19 3.962 4.010 -0.048 1
1 231 . 17 1 1 A 19 19 ALA CA C 19 53.980 53.896 0.084 1
1 232 . 17 1 1 A 19 19 ALA CB C 19 18.497 18.306 0.191 1
1 233 . 17 1 1 A 19 19 ALA N N 19 123.842 128.020 -4.178 1
1 234 . 17 1 1 A 20 20 GLY H H 20 8.814 8.410 0.404 1
1 235 . 17 1 1 A 20 20 GLY HA2 H 20 4.313 3.880 0.433 1
1 236 . 17 1 1 A 20 20 GLY HA3 H 20 3.532 3.884 -0.352 1
1 237 . 17 1 1 A 20 20 GLY CA C 20 45.045 45.792 -0.747 1
1 238 . 17 1 1 A 20 20 GLY N N 20 112.434 110.444 1.990 1
1 239 . 17 1 1 A 21 21 ASP H H 21 7.933 7.647 0.286 1
1 240 . 17 1 1 A 21 21 ASP HA H 21 4.499 5.032 -0.533 1
1 243 . 17 1 1 A 21 21 ASP CA C 21 55.383 53.123 2.260 1
1 244 . 17 1 1 A 21 21 ASP CB C 21 41.067 43.129 -2.062 1
1 245 . 17 1 1 A 21 21 ASP N N 21 121.505 120.652 0.853 1
1 246 . 17 1 1 A 22 22 LYS H H 22 8.311 8.552 -0.241 1
1 247 . 17 1 1 A 22 22 LYS HA H 22 4.871 5.029 -0.158 1
1 256 . 17 1 1 A 22 22 LYS CA C 22 55.659 55.898 -0.239 1
1 257 . 17 1 1 A 22 22 LYS CB C 22 31.820 33.881 -2.061 1
1 261 . 17 1 1 A 22 22 LYS N N 22 120.225 122.155 -1.930 1
1 262 . 17 1 1 A 23 23 VAL H H 23 8.935 9.222 -0.287 1
1 263 . 17 1 1 A 23 23 VAL HA H 23 4.841 4.748 0.093 1
1 271 . 17 1 1 A 23 23 VAL CA C 23 58.502 60.246 -1.744 1
1 272 . 17 1 1 A 23 23 VAL CB C 23 34.507 33.767 0.740 1
1 275 . 17 1 1 A 23 23 VAL N N 23 117.700 119.028 -1.328 1
1 276 . 17 1 1 A 24 24 LYS H H 24 7.960 8.611 -0.651 1
1 277 . 17 1 1 A 24 24 LYS HA H 24 4.838 4.925 -0.087 1
1 286 . 17 1 1 A 24 24 LYS CA C 24 53.195 54.232 -1.037 1
1 287 . 17 1 1 A 24 24 LYS CB C 24 35.213 35.696 -0.483 1
1 291 . 17 1 1 A 24 24 LYS N N 24 121.958 122.579 -0.621 1
1 292 . 17 1 1 A 25 25 LYS H H 25 8.915 8.736 0.179 1
1 293 . 17 1 1 A 25 25 LYS HA H 25 3.156 3.895 -0.739 1
1 300 . 17 1 1 A 25 25 LYS CA C 25 58.648 58.141 0.507 1
1 301 . 17 1 1 A 25 25 LYS CB C 25 32.648 31.331 1.317 1
1 304 . 17 1 1 A 25 25 LYS N N 25 121.653 125.390 -3.737 1
1 305 . 17 1 1 A 26 26 GLY H H 26 8.900 8.772 0.128 1
1 306 . 17 1 1 A 26 26 GLY HA2 H 26 4.283 3.898 0.385 1
1 307 . 17 1 1 A 26 26 GLY HA3 H 26 3.471 3.909 -0.438 1
1 308 . 17 1 1 A 26 26 GLY CA C 26 45.263 45.331 -0.068 1
1 309 . 17 1 1 A 26 26 GLY N N 26 115.268 112.921 2.347 1
1 310 . 17 1 1 A 27 27 GLN H H 27 8.433 7.914 0.519 1
1 311 . 17 1 1 A 27 27 GLN HA H 27 4.141 4.357 -0.216 1
1 318 . 17 1 1 A 27 27 GLN CA C 27 56.324 55.336 0.988 1
1 319 . 17 1 1 A 27 27 GLN CB C 27 30.520 29.938 0.582 1
1 321 . 17 1 1 A 27 27 GLN N N 27 123.155 120.531 2.624 1
1 323 . 17 1 1 A 28 28 THR H H 28 9.110 8.873 0.237 1
1 324 . 17 1 1 A 28 28 THR HA H 28 3.893 4.157 -0.264 1
1 329 . 17 1 1 A 28 28 THR CA C 28 65.828 63.867 1.961 1
1 330 . 17 1 1 A 28 28 THR CB C 28 68.581 68.778 -0.197 1
1 332 . 17 1 1 A 28 28 THR N N 28 124.748 120.806 3.942 1
1 333 . 17 1 1 A 29 29 LEU H H 29 9.509 8.663 0.846 1
1 334 . 17 1 1 A 29 29 LEU HA H 29 4.383 4.557 -0.174 1
1 344 . 17 1 1 A 29 29 LEU CA C 29 55.795 54.926 0.869 1
1 345 . 17 1 1 A 29 29 LEU CB C 29 44.572 43.583 0.989 1
1 349 . 17 1 1 A 29 29 LEU N N 29 125.873 127.272 -1.399 1
1 350 . 17 1 1 A 30 30 PHE H H 30 7.579 7.619 -0.040 1
1 351 . 17 1 1 A 30 30 PHE HA H 30 5.367 5.337 0.030 1
1 359 . 17 1 1 A 30 30 PHE CA C 30 55.486 56.067 -0.581 1
1 360 . 17 1 1 A 30 30 PHE CB C 30 44.887 43.242 1.645 1
1 361 . 17 1 1 A 30 30 PHE N N 30 111.134 115.337 -4.203 1
1 362 . 17 1 1 A 31 31 ILE H H 31 7.858 8.540 -0.682 1
1 363 . 17 1 1 A 31 31 ILE HA H 31 4.817 4.931 -0.114 1
1 373 . 17 1 1 A 31 31 ILE CA C 31 60.063 60.106 -0.043 1
1 374 . 17 1 1 A 31 31 ILE CB C 31 39.395 42.235 -2.840 1
1 378 . 17 1 1 A 31 31 ILE N N 31 119.416 119.798 -0.382 1
1 379 . 17 1 1 A 32 32 ILE H H 32 9.107 8.850 0.257 1
1 380 . 17 1 1 A 32 32 ILE HA H 32 4.842 4.906 -0.064 1
1 390 . 17 1 1 A 32 32 ILE CA C 32 59.002 59.943 -0.941 1
1 391 . 17 1 1 A 32 32 ILE CB C 32 42.048 42.359 -0.311 1
1 395 . 17 1 1 A 32 32 ILE N N 32 127.892 125.618 2.274 1
1 396 . 17 1 1 A 33 33 GLU H H 33 9.095 8.856 0.239 1
1 397 . 17 1 1 A 33 33 GLU HA H 33 4.642 4.911 -0.269 1
1 402 . 17 1 1 A 33 33 GLU CA C 33 54.985 54.689 0.296 1
1 403 . 17 1 1 A 33 33 GLU CB C 33 31.672 31.671 0.001 1
1 405 . 17 1 1 A 33 33 GLU N N 33 128.157 127.374 0.783 1
1 406 . 17 1 1 A 34 34 GLN H H 34 8.725 8.691 0.034 1
1 407 . 17 1 1 A 34 34 GLN HA H 34 4.354 4.556 -0.202 1
1 414 . 17 1 1 A 34 34 GLN CA C 34 56.807 56.085 0.722 1
1 415 . 17 1 1 A 34 34 GLN CB C 34 30.119 29.869 0.250 1
1 417 . 17 1 1 A 34 34 GLN N N 34 128.123 125.818 2.305 1
1 419 . 17 1 1 A 35 35 ASP H H 35 8.524 9.001 -0.477 1
1 420 . 17 1 1 A 35 35 ASP HA H 35 4.609 4.948 -0.339 1
1 423 . 17 1 1 A 35 35 ASP CA C 35 54.226 53.433 0.793 1
1 424 . 17 1 1 A 35 35 ASP CB C 35 41.429 41.551 -0.122 1
1 425 . 17 1 1 A 35 35 ASP N N 35 122.485 119.495 2.990 1
1 426 . 17 1 1 A 36 36 GLN H H 36 8.576 7.861 0.715 1
1 427 . 17 1 1 A 36 36 GLN HA H 36 4.041 4.635 -0.594 1
1 434 . 17 1 1 A 36 36 GLN CA C 36 56.662 55.046 1.616 1
1 435 . 17 1 1 A 36 36 GLN CB C 36 29.166 29.095 0.071 1
1 437 . 17 1 1 A 36 36 GLN N N 36 123.321 116.651 6.670 1
1 439 . 17 1 1 A 37 37 ALA H H 37 8.322 7.725 0.597 1
1 440 . 17 1 1 A 37 37 ALA HA H 37 4.232 4.162 0.070 1
1 444 . 17 1 1 A 37 37 ALA CA C 37 53.231 51.392 1.839 1
1 445 . 17 1 1 A 37 37 ALA CB C 37 19.020 18.143 0.877 1
1 446 . 17 1 1 A 37 37 ALA N N 37 123.086 122.675 0.411 1
1 447 . 17 1 1 A 38 38 SER H H 38 7.919 7.955 -0.036 1
1 448 . 17 1 1 A 38 38 SER HA H 38 4.283 4.467 -0.184 1
1 451 . 17 1 1 A 38 38 SER CA C 38 58.884 60.148 -1.264 1
1 452 . 17 1 1 A 38 38 SER CB C 38 63.835 62.517 1.318 1
1 453 . 17 1 1 A 38 38 SER N N 38 113.578 111.373 2.205 1
1 454 . 17 1 1 A 39 39 LYS H H 39 8.153 8.859 -0.706 1
1 455 . 17 1 1 A 39 39 LYS HA H 39 4.140 4.001 0.139 1
1 463 . 17 1 1 A 39 39 LYS CA C 39 57.127 60.161 -3.034 1
1 464 . 17 1 1 A 39 39 LYS CB C 39 32.812 32.485 0.327 1
1 468 . 17 1 1 A 39 39 LYS N N 39 122.651 125.252 -2.601 1
1 469 . 17 1 1 A 40 40 ASP H H 40 8.100 8.402 -0.302 1
1 470 . 17 1 1 A 40 40 ASP HA H 40 4.532 4.265 0.267 1
1 473 . 17 1 1 A 40 40 ASP CA C 40 54.376 57.438 -3.062 1
1 474 . 17 1 1 A 40 40 ASP CB C 40 41.245 40.611 0.634 1
1 475 . 17 1 1 A 40 40 ASP N N 40 119.441 119.810 -0.369 1
1 476 . 17 1 1 A 41 41 PHE H H 41 7.924 7.743 0.181 1
1 477 . 17 1 1 A 41 41 PHE HA H 41 4.384 4.364 0.020 1
1 484 . 17 1 1 A 41 41 PHE CA C 41 58.704 60.252 -1.548 1
1 485 . 17 1 1 A 41 41 PHE CB C 41 39.397 39.527 -0.130 1
1 486 . 17 1 1 A 41 41 PHE N N 41 121.124 115.811 5.313 1
1 487 . 17 1 1 A 42 42 ASN H H 42 8.311 8.019 0.292 1
1 488 . 17 1 1 A 42 42 ASN HA H 42 4.523 4.861 -0.338 1
1 492 . 17 1 1 A 42 42 ASN CA C 42 53.133 53.836 -0.703 1
1 493 . 17 1 1 A 42 42 ASN CB C 42 38.801 37.754 1.047 1
1 494 . 17 1 1 A 42 42 ASN N N 42 120.181 117.559 2.622 1
1 496 . 17 1 1 A 43 43 ARG H H 43 8.133 8.680 -0.547 1
1 497 . 17 1 1 A 43 43 ARG HA H 43 4.115 4.535 -0.420 1
1 504 . 17 1 1 A 43 43 ARG CA C 43 57.051 57.529 -0.478 1
1 505 . 17 1 1 A 43 43 ARG CB C 43 30.514 32.775 -2.261 1
1 508 . 17 1 1 A 43 43 ARG N N 43 121.727 125.528 -3.801 1
1 509 . 17 1 1 A 44 44 SER H H 44 8.174 8.025 0.149 1
1 510 . 17 1 1 A 44 44 SER HA H 44 4.286 4.451 -0.165 1
1 513 . 17 1 1 A 44 44 SER CA C 44 59.344 59.657 -0.313 1
1 514 . 17 1 1 A 44 44 SER CB C 44 63.357 62.917 0.440 1
1 515 . 17 1 1 A 44 44 SER N N 44 115.718 114.718 1.000 1
1 516 . 17 1 1 A 45 45 LYS H H 45 7.963 8.770 -0.807 1
1 517 . 17 1 1 A 45 45 LYS HA H 45 4.123 3.978 0.145 1
1 526 . 17 1 1 A 45 45 LYS CA C 45 56.866 59.440 -2.574 1
1 527 . 17 1 1 A 45 45 LYS CB C 45 32.777 32.581 0.196 1
1 530 . 17 1 1 A 45 45 LYS N N 45 122.326 124.799 -2.473 1
1 531 . 17 1 1 A 46 46 ALA H H 46 7.965 7.424 0.541 1
1 532 . 17 1 1 A 46 46 ALA HA H 46 4.165 4.801 -0.636 1
1 536 . 17 1 1 A 46 46 ALA CA C 46 52.999 51.660 1.339 1
1 537 . 17 1 1 A 46 46 ALA CB C 46 18.944 22.077 -3.133 1
1 538 . 17 1 1 A 46 46 ALA N N 46 123.536 115.470 8.066 1
1 539 . 17 1 1 A 47 47 LEU H H 47 7.898 8.737 -0.839 1
1 540 . 17 1 1 A 47 47 LEU HA H 47 4.158 4.919 -0.761 1
1 550 . 17 1 1 A 47 47 LEU CA C 47 55.583 52.983 2.600 1
1 551 . 17 1 1 A 47 47 LEU CB C 47 42.404 44.709 -2.305 1
1 555 . 17 1 1 A 47 47 LEU N N 47 119.914 118.447 1.467 1
1 556 . 17 1 1 A 48 48 PHE H H 48 7.981 7.763 0.218 1
1 557 . 17 1 1 A 48 48 PHE HA H 48 4.539 4.696 -0.157 1
1 564 . 17 1 1 A 48 48 PHE CA C 48 58.033 57.834 0.199 1
1 565 . 17 1 1 A 48 48 PHE CB C 48 39.470 40.605 -1.135 1
1 566 . 17 1 1 A 48 48 PHE N N 48 119.602 118.965 0.637 1
1 567 . 17 1 1 A 49 49 SER H H 49 8.028 7.036 0.992 1
1 568 . 17 1 1 A 49 49 SER HA H 49 4.332 3.862 0.470 1
1 571 . 17 1 1 A 49 49 SER CA C 49 58.581 58.950 -0.369 1
1 572 . 17 1 1 A 49 49 SER CB C 49 63.866 61.694 2.172 1
1 573 . 17 1 1 A 49 49 SER N N 49 116.270 114.592 1.678 1
1 574 . 17 1 1 A 50 50 GLN H H 50 8.266 8.776 -0.510 1
1 575 . 17 1 1 A 50 50 GLN HA H 50 4.257 4.153 0.104 1
1 582 . 17 1 1 A 50 50 GLN CA C 50 56.435 56.654 -0.219 1
1 583 . 17 1 1 A 50 50 GLN CB C 50 29.204 26.382 2.822 1
1 585 . 17 1 1 A 50 50 GLN N N 50 121.931 118.715 3.216 1
1 587 . 17 1 1 A 51 51 SER H H 51 8.147 8.566 -0.419 1
1 588 . 17 1 1 A 51 51 SER HA H 51 4.338 4.269 0.069 1
1 591 . 17 1 1 A 51 51 SER CA C 51 58.645 59.073 -0.428 1
1 592 . 17 1 1 A 51 51 SER CB C 51 63.784 61.641 2.143 1
1 593 . 17 1 1 A 51 51 SER N N 51 115.676 109.682 5.994 1
1 594 . 17 1 1 A 52 52 ALA H H 52 8.175 8.085 0.090 1
1 595 . 17 1 1 A 52 52 ALA HA H 52 4.265 4.480 -0.215 1
1 599 . 17 1 1 A 52 52 ALA CA C 52 53.031 53.206 -0.175 1
1 600 . 17 1 1 A 52 52 ALA CB C 52 18.941 20.684 -1.743 1
1 601 . 17 1 1 A 52 52 ALA N N 52 125.360 122.551 2.809 1
1 602 . 17 1 1 A 53 53 ILE H H 53 7.870 7.463 0.407 1
1 603 . 17 1 1 A 53 53 ILE HA H 53 4.099 4.499 -0.400 1
1 613 . 17 1 1 A 53 53 ILE CA C 53 61.558 60.061 1.497 1
1 614 . 17 1 1 A 53 53 ILE CB C 53 38.851 39.584 -0.733 1
1 618 . 17 1 1 A 53 53 ILE N N 53 118.231 113.165 5.066 1
1 619 . 17 1 1 A 54 54 SER H H 54 8.159 8.684 -0.525 1
1 620 . 17 1 1 A 54 54 SER HA H 54 4.384 4.352 0.032 1
1 623 . 17 1 1 A 54 54 SER CA C 54 58.551 60.075 -1.524 1
1 624 . 17 1 1 A 54 54 SER CB C 54 63.964 63.535 0.429 1
1 625 . 17 1 1 A 54 54 SER N N 54 118.588 123.689 -5.101 1
1 626 . 17 1 1 A 55 55 GLN H H 55 8.301 8.455 -0.154 1
1 627 . 17 1 1 A 55 55 GLN HA H 55 4.214 3.132 1.082 1
1 634 . 17 1 1 A 55 55 GLN CA C 55 56.547 57.876 -1.329 1
1 635 . 17 1 1 A 55 55 GLN CB C 55 29.292 27.831 1.461 1
1 637 . 17 1 1 A 55 55 GLN N N 55 122.173 126.075 -3.902 1
1 639 . 17 1 1 A 56 56 LYS H H 56 8.163 7.863 0.300 1
1 640 . 17 1 1 A 56 56 LYS HA H 56 4.177 4.207 -0.030 1
1 647 . 17 1 1 A 56 56 LYS CA C 56 56.978 56.377 0.601 1
1 648 . 17 1 1 A 56 56 LYS CB C 56 32.855 31.663 1.192 1
1 651 . 17 1 1 A 56 56 LYS N N 56 121.126 118.225 2.901 1
1 652 . 17 1 1 A 57 57 GLU H H 57 8.211 8.115 0.096 1
1 653 . 17 1 1 A 57 57 GLU HA H 57 4.151 4.575 -0.424 1
1 658 . 17 1 1 A 57 57 GLU CA C 57 57.058 57.231 -0.173 1
1 659 . 17 1 1 A 57 57 GLU CB C 57 30.211 32.414 -2.203 1
1 661 . 17 1 1 A 57 57 GLU N N 57 120.615 118.898 1.717 1
1 662 . 17 1 1 A 58 58 TYR H H 58 8.070 8.303 -0.233 1
1 663 . 17 1 1 A 58 58 TYR HA H 58 4.375 4.465 -0.090 1
1 670 . 17 1 1 A 58 58 TYR CA C 58 58.570 57.787 0.783 1
1 671 . 17 1 1 A 58 58 TYR CB C 58 38.962 39.249 -0.287 1
1 672 . 17 1 1 A 58 58 TYR N N 58 120.822 118.860 1.962 1
1 673 . 17 1 1 A 59 59 ASP H H 59 8.146 8.614 -0.468 1
1 674 . 17 1 1 A 59 59 ASP HA H 59 4.492 4.528 -0.036 1
1 677 . 17 1 1 A 59 59 ASP CA C 59 54.396 53.947 0.449 1
1 678 . 17 1 1 A 59 59 ASP CB C 59 41.086 41.588 -0.502 1
1 679 . 17 1 1 A 59 59 ASP N N 59 122.551 121.146 1.405 1
1 680 . 17 1 1 A 60 60 SER H H 60 8.253 8.528 -0.275 1
1 681 . 17 1 1 A 60 60 SER HA H 60 4.260 3.986 0.274 1
1 684 . 17 1 1 A 60 60 SER CA C 60 59.533 59.779 -0.246 1
1 685 . 17 1 1 A 60 60 SER CB C 60 63.422 63.550 -0.128 1
1 686 . 17 1 1 A 60 60 SER N N 60 117.657 116.814 0.843 1
1 687 . 17 1 1 A 61 61 SER H H 61 8.344 8.049 0.295 1
1 688 . 17 1 1 A 61 61 SER HA H 61 4.307 4.249 0.058 1
1 691 . 17 1 1 A 61 61 SER CA C 61 59.755 61.465 -1.710 1
1 692 . 17 1 1 A 61 61 SER CB C 61 63.582 63.076 0.506 1
1 693 . 17 1 1 A 61 61 SER N N 61 118.129 117.044 1.085 1
1 694 . 17 1 1 A 62 62 LEU H H 62 7.759 7.665 0.094 1
1 695 . 17 1 1 A 62 62 LEU HA H 62 4.234 4.588 -0.354 1
1 705 . 17 1 1 A 62 62 LEU CA C 62 55.464 54.702 0.762 1
1 706 . 17 1 1 A 62 62 LEU CB C 62 42.238 42.966 -0.728 1
1 710 . 17 1 1 A 62 62 LEU N N 62 122.627 114.609 8.018 1
1 711 . 17 1 1 A 63 63 ALA H H 63 7.919 7.425 0.494 1
1 712 . 17 1 1 A 63 63 ALA HA H 63 4.276 4.270 0.006 1
1 716 . 17 1 1 A 63 63 ALA CA C 63 52.922 53.335 -0.413 1
1 717 . 17 1 1 A 63 63 ALA CB C 63 19.221 18.840 0.381 1
1 718 . 17 1 1 A 63 63 ALA N N 63 123.444 123.890 -0.446 1
1 719 . 17 1 1 A 64 64 THR H H 64 7.890 8.790 -0.900 1
1 720 . 17 1 1 A 64 64 THR HA H 64 4.217 3.955 0.262 1
1 725 . 17 1 1 A 64 64 THR CA C 64 61.787 63.903 -2.116 1
1 726 . 17 1 1 A 64 64 THR CB C 64 69.719 67.344 2.375 1
1 728 . 17 1 1 A 64 64 THR N N 64 112.279 111.145 1.134 1
1 729 . 17 1 1 A 65 65 LEU H H 65 8.009 7.131 0.878 1
1 730 . 17 1 1 A 65 65 LEU HA H 65 4.295 4.646 -0.351 1
1 740 . 17 1 1 A 65 65 LEU CA C 65 55.345 52.736 2.609 1
1 741 . 17 1 1 A 65 65 LEU CB C 65 42.412 42.109 0.303 1
1 745 . 17 1 1 A 65 65 LEU N N 65 123.586 117.515 6.071 1
1 746 . 17 1 1 A 66 66 ASP H H 66 8.288 8.506 -0.218 1
1 747 . 17 1 1 A 66 66 ASP HA H 66 4.564 4.471 0.093 1
1 750 . 17 1 1 A 66 66 ASP CA C 66 54.676 54.898 -0.222 1
1 751 . 17 1 1 A 66 66 ASP CB C 66 41.376 40.460 0.916 1
1 752 . 17 1 1 A 66 66 ASP N N 66 120.344 125.899 -5.555 1
1 753 . 17 1 1 A 67 67 HIS H H 67 8.058 9.058 -1.000 1
1 754 . 17 1 1 A 67 67 HIS HA H 67 5.247 5.318 -0.071 1
1 758 . 17 1 1 A 67 67 HIS CA C 67 55.260 54.469 0.791 1
1 759 . 17 1 1 A 67 67 HIS CB C 67 31.974 33.644 -1.670 1
1 760 . 17 1 1 A 67 67 HIS N N 67 119.406 122.189 -2.783 1
1 761 . 17 1 1 A 68 68 THR H H 68 8.919 9.036 -0.117 1
1 762 . 17 1 1 A 68 68 THR HA H 68 4.484 4.702 -0.218 1
1 767 . 17 1 1 A 68 68 THR CA C 68 62.542 61.493 1.049 1
1 768 . 17 1 1 A 68 68 THR CB C 68 71.067 70.462 0.605 1
1 770 . 17 1 1 A 68 68 THR N N 68 117.233 115.187 2.046 1
1 771 . 17 1 1 A 69 69 GLU H H 69 8.649 8.699 -0.050 1
1 772 . 17 1 1 A 69 69 GLU HA H 69 4.703 4.650 0.053 1
1 777 . 17 1 1 A 69 69 GLU CA C 69 55.886 55.800 0.086 1
1 778 . 17 1 1 A 69 69 GLU CB C 69 31.746 30.016 1.730 1
1 780 . 17 1 1 A 69 69 GLU N N 69 124.187 126.234 -2.047 1
1 781 . 17 1 1 A 70 70 ILE H H 70 8.601 8.710 -0.109 1
1 782 . 17 1 1 A 70 70 ILE HA H 70 4.405 4.339 0.066 1
1 792 . 17 1 1 A 70 70 ILE CA C 70 59.234 61.541 -2.307 1
1 793 . 17 1 1 A 70 70 ILE CB C 70 37.318 36.867 0.451 1
1 797 . 17 1 1 A 70 70 ILE N N 70 123.482 126.545 -3.063 1
1 798 . 17 1 1 A 71 71 LYS H H 71 8.926 7.782 1.144 1
1 799 . 17 1 1 A 71 71 LYS HA H 71 5.078 4.869 0.209 1
1 806 . 17 1 1 A 71 71 LYS CA C 71 54.584 55.850 -1.266 1
1 807 . 17 1 1 A 71 71 LYS CB C 71 36.281 33.650 2.631 1
1 810 . 17 1 1 A 71 71 LYS N N 71 128.267 125.812 2.455 1
1 811 . 17 1 1 A 72 72 ALA H H 72 8.633 8.601 0.032 1
1 812 . 17 1 1 A 72 72 ALA HA H 72 4.067 4.329 -0.262 1
1 816 . 17 1 1 A 72 72 ALA CA C 72 49.967 50.776 -0.809 1
1 817 . 17 1 1 A 72 72 ALA CB C 72 17.255 18.172 -0.917 1
1 818 . 17 1 1 A 72 72 ALA N N 72 123.088 124.905 -1.817 1
1 819 . 17 1 1 A 73 73 PRO HA H 73 4.333 4.229 0.104 1
1 826 . 17 1 1 A 73 73 PRO CA C 73 63.716 64.230 -0.514 1
1 827 . 17 1 1 A 73 73 PRO CB C 73 31.915 31.426 0.489 1
1 830 . 17 1 1 A 74 74 PHE H H 74 6.768 6.977 -0.209 1
1 831 . 17 1 1 A 74 74 PHE HA H 74 4.421 4.909 -0.488 1
1 838 . 17 1 1 A 74 74 PHE CA C 74 54.396 56.156 -1.760 1
1 839 . 17 1 1 A 74 74 PHE CB C 74 40.697 40.851 -0.154 1
1 840 . 17 1 1 A 74 74 PHE N N 74 112.022 112.092 -0.070 1
1 841 . 17 1 1 A 75 75 ASP H H 75 8.583 8.823 -0.240 1
1 842 . 17 1 1 A 75 75 ASP HA H 75 4.922 4.897 0.025 1
1 845 . 17 1 1 A 75 75 ASP CA C 75 53.873 55.573 -1.700 1
1 846 . 17 1 1 A 75 75 ASP CB C 75 40.839 41.459 -0.620 1
1 847 . 17 1 1 A 75 75 ASP N N 75 118.252 121.478 -3.226 1
1 848 . 17 1 1 A 76 76 GLY H H 76 8.348 8.076 0.272 1
1 849 . 17 1 1 A 76 76 GLY HA2 H 76 4.236 4.213 0.023 1
1 850 . 17 1 1 A 76 76 GLY HA3 H 76 4.075 4.259 -0.184 1
1 851 . 17 1 1 A 76 76 GLY CA C 76 46.639 45.872 0.767 1
1 852 . 17 1 1 A 76 76 GLY N N 76 108.729 111.027 -2.298 1
1 853 . 17 1 1 A 77 77 THR H H 77 8.623 8.252 0.371 1
1 854 . 17 1 1 A 77 77 THR HA H 77 4.975 4.966 0.009 1
1 859 . 17 1 1 A 77 77 THR CA C 77 61.752 62.270 -0.518 1
1 860 . 17 1 1 A 77 77 THR CB C 77 70.121 70.641 -0.520 1
1 862 . 17 1 1 A 77 77 THR N N 77 116.400 116.349 0.051 1
1 863 . 17 1 1 A 78 78 ILE H H 78 8.824 8.854 -0.030 1
1 864 . 17 1 1 A 78 78 ILE HA H 78 4.673 5.010 -0.337 1
1 874 . 17 1 1 A 78 78 ILE CA C 78 60.164 59.508 0.656 1
1 875 . 17 1 1 A 78 78 ILE CB C 78 42.973 41.352 1.621 1
1 879 . 17 1 1 A 78 78 ILE N N 78 129.310 128.794 0.516 1
1 880 . 17 1 1 A 79 79 GLY H H 79 8.060 8.581 -0.521 1
1 881 . 17 1 1 A 79 79 GLY HA2 H 79 4.404 4.080 0.324 1
1 882 . 17 1 1 A 79 79 GLY HA3 H 79 3.775 4.088 -0.313 1
1 883 . 17 1 1 A 79 79 GLY CA C 79 44.149 46.415 -2.266 1
1 884 . 17 1 1 A 79 79 GLY N N 79 114.539 115.624 -1.085 1
1 885 . 17 1 1 A 80 80 ASP H H 80 7.804 8.137 -0.333 1
1 886 . 17 1 1 A 80 80 ASP HA H 80 4.703 4.672 0.031 1
1 889 . 17 1 1 A 80 80 ASP CA C 80 53.703 54.630 -0.927 1
1 890 . 17 1 1 A 80 80 ASP CB C 80 41.918 40.229 1.689 1
1 891 . 17 1 1 A 80 80 ASP N N 80 113.688 118.850 -5.162 1
1 892 . 17 1 1 A 81 81 ALA H H 81 8.566 8.279 0.287 1
1 893 . 17 1 1 A 81 81 ALA HA H 81 4.571 4.416 0.155 1
1 897 . 17 1 1 A 81 81 ALA CA C 81 53.312 51.628 1.684 1
1 898 . 17 1 1 A 81 81 ALA CB C 81 20.381 19.812 0.569 1
1 899 . 17 1 1 A 81 81 ALA N N 81 124.136 125.384 -1.248 1
1 900 . 17 1 1 A 82 82 LEU H H 82 8.747 8.368 0.379 1
1 901 . 17 1 1 A 82 82 LEU HA H 82 4.345 4.559 -0.214 1
1 910 . 17 1 1 A 82 82 LEU CA C 82 55.210 55.747 -0.537 1
1 911 . 17 1 1 A 82 82 LEU CB C 82 41.457 44.701 -3.244 1
1 914 . 17 1 1 A 82 82 LEU N N 82 121.773 116.688 5.085 1
1 915 . 17 1 1 A 83 83 VAL H H 83 7.141 7.513 -0.372 1
1 916 . 17 1 1 A 83 83 VAL HA H 83 4.496 4.576 -0.080 1
1 924 . 17 1 1 A 83 83 VAL CA C 83 58.502 59.829 -1.327 1
1 925 . 17 1 1 A 83 83 VAL CB C 83 35.229 34.366 0.863 1
1 928 . 17 1 1 A 83 83 VAL N N 83 108.169 114.845 -6.676 1
1 929 . 17 1 1 A 84 84 ASN H H 84 9.076 8.750 0.326 1
1 930 . 17 1 1 A 84 84 ASN HA H 84 4.887 5.389 -0.502 1
1 935 . 17 1 1 A 84 84 ASN CA C 84 51.248 50.750 0.498 1
1 936 . 17 1 1 A 84 84 ASN CB C 84 41.989 41.272 0.717 1
1 937 . 17 1 1 A 84 84 ASN N N 84 119.502 116.044 3.458 1
1 939 . 17 1 1 A 85 85 ILE H H 85 8.404 8.507 -0.103 1
1 940 . 17 1 1 A 85 85 ILE HA H 85 3.393 3.943 -0.550 1
1 950 . 17 1 1 A 85 85 ILE CA C 85 63.873 62.365 1.508 1
1 951 . 17 1 1 A 85 85 ILE CB C 85 37.146 38.225 -1.079 1
1 955 . 17 1 1 A 85 85 ILE N N 85 119.409 122.152 -2.743 1
1 956 . 17 1 1 A 86 86 GLY H H 86 9.239 8.573 0.666 1
1 957 . 17 1 1 A 86 86 GLY HA2 H 86 4.401 3.867 0.534 1
1 958 . 17 1 1 A 86 86 GLY HA3 H 86 3.411 3.877 -0.466 1
1 959 . 17 1 1 A 86 86 GLY CA C 86 44.869 45.830 -0.961 1
1 960 . 17 1 1 A 86 86 GLY N N 86 117.321 117.501 -0.180 1
1 961 . 17 1 1 A 87 87 ASP H H 87 7.968 8.182 -0.214 1
1 962 . 17 1 1 A 87 87 ASP HA H 87 4.607 4.832 -0.225 1
1 965 . 17 1 1 A 87 87 ASP CA C 87 54.886 53.807 1.079 1
1 966 . 17 1 1 A 87 87 ASP CB C 87 40.771 41.859 -1.088 1
1 967 . 17 1 1 A 87 87 ASP N N 87 121.490 120.497 0.993 1
1 968 . 17 1 1 A 88 88 TYR H H 88 8.566 8.894 -0.328 1
1 969 . 17 1 1 A 88 88 TYR HA H 88 4.712 4.915 -0.203 1
1 976 . 17 1 1 A 88 88 TYR CA C 88 57.826 59.532 -1.706 1
1 977 . 17 1 1 A 88 88 TYR CB C 88 39.243 39.135 0.108 1
1 978 . 17 1 1 A 88 88 TYR N N 88 122.340 126.334 -3.994 1
1 979 . 17 1 1 A 89 89 VAL H H 89 8.951 8.374 0.577 1
1 980 . 17 1 1 A 89 89 VAL HA H 89 4.578 4.822 -0.244 1
1 988 . 17 1 1 A 89 89 VAL CA C 89 58.339 59.441 -1.102 1
1 989 . 17 1 1 A 89 89 VAL CB C 89 34.321 33.959 0.362 1
1 992 . 17 1 1 A 89 89 VAL N N 89 121.914 122.341 -0.427 1
1 993 . 17 1 1 A 90 90 SER H H 90 8.777 8.977 -0.200 1
1 994 . 17 1 1 A 90 90 SER HA H 90 4.750 4.945 -0.195 1
1 997 . 17 1 1 A 90 90 SER CA C 90 56.895 57.057 -0.162 1
1 998 . 17 1 1 A 90 90 SER CB C 90 64.866 64.675 0.191 1
1 999 . 17 1 1 A 90 90 SER N N 90 114.813 118.953 -4.140 1
1 1000 . 17 1 1 A 91 91 ALA H H 91 8.712 8.396 0.316 1
1 1001 . 17 1 1 A 91 91 ALA HA H 91 3.515 3.846 -0.331 1
1 1005 . 17 1 1 A 91 91 ALA CA C 91 53.317 54.014 -0.697 1
1 1006 . 17 1 1 A 91 91 ALA CB C 91 18.678 17.749 0.929 1
1 1007 . 17 1 1 A 91 91 ALA N N 91 129.870 128.838 1.032 1
1 1008 . 17 1 1 A 92 92 SER H H 92 9.170 8.921 0.249 1
1 1009 . 17 1 1 A 92 92 SER HA H 92 3.817 4.410 -0.593 1
1 1012 . 17 1 1 A 92 92 SER CA C 92 60.652 60.476 0.176 1
1 1013 . 17 1 1 A 92 92 SER CB C 92 62.505 63.031 -0.526 1
1 1014 . 17 1 1 A 92 92 SER N N 92 113.294 114.436 -1.142 1
1 1015 . 17 1 1 A 93 93 THR H H 93 7.816 7.378 0.438 1
1 1016 . 17 1 1 A 93 93 THR HA H 93 4.402 4.100 0.302 1
1 1021 . 17 1 1 A 93 93 THR CA C 93 64.378 66.139 -1.761 1
1 1022 . 17 1 1 A 93 93 THR CB C 93 70.948 69.078 1.870 1
1 1024 . 17 1 1 A 93 93 THR N N 93 113.858 113.939 -0.081 1
1 1025 . 17 1 1 A 94 94 THR H H 94 7.702 7.516 0.186 1
1 1026 . 17 1 1 A 94 94 THR HA H 94 3.910 4.293 -0.383 1
1 1031 . 17 1 1 A 94 94 THR CA C 94 65.140 62.727 2.413 1
1 1032 . 17 1 1 A 94 94 THR CB C 94 70.001 68.413 1.588 1
1 1034 . 17 1 1 A 94 94 THR N N 94 119.588 114.344 5.244 1
1 1035 . 17 1 1 A 95 95 GLU H H 95 8.407 8.566 -0.159 1
1 1036 . 17 1 1 A 95 95 GLU HA H 95 3.801 4.763 -0.962 1
1 1041 . 17 1 1 A 95 95 GLU CA C 95 56.613 55.474 1.139 1
1 1042 . 17 1 1 A 95 95 GLU CB C 95 29.600 30.481 -0.881 1
1 1044 . 17 1 1 A 95 95 GLU N N 95 124.764 127.495 -2.731 1
1 1045 . 17 1 1 A 96 96 LEU H H 96 8.750 8.712 0.038 1
1 1046 . 17 1 1 A 96 96 LEU HA H 96 4.260 4.501 -0.241 1
1 1056 . 17 1 1 A 96 96 LEU CA C 96 56.927 54.813 2.114 1
1 1057 . 17 1 1 A 96 96 LEU CB C 96 43.310 42.724 0.586 1
1 1061 . 17 1 1 A 96 96 LEU N N 96 120.035 120.945 -0.910 1
1 1062 . 17 1 1 A 97 97 VAL H H 97 7.053 7.498 -0.445 1
1 1063 . 17 1 1 A 97 97 VAL HA H 97 4.345 4.351 -0.006 1
1 1071 . 17 1 1 A 97 97 VAL CA C 97 61.291 60.296 0.995 1
1 1072 . 17 1 1 A 97 97 VAL CB C 97 31.577 34.021 -2.444 1
1 1075 . 17 1 1 A 97 97 VAL N N 97 112.365 117.516 -5.151 1
1 1076 . 17 1 1 A 98 98 ARG H H 98 8.980 8.676 0.304 1
1 1077 . 17 1 1 A 98 98 ARG HA H 98 5.267 5.016 0.251 1
1 1084 . 17 1 1 A 98 98 ARG CA C 98 55.195 54.272 0.923 1
1 1085 . 17 1 1 A 98 98 ARG CB C 98 32.818 34.037 -1.219 1
1 1088 . 17 1 1 A 98 98 ARG N N 98 127.477 125.852 1.625 1
1 1089 . 17 1 1 A 99 99 VAL H H 99 8.887 8.998 -0.111 1
1 1090 . 17 1 1 A 99 99 VAL HA H 99 4.556 5.036 -0.480 1
1 1095 . 17 1 1 A 99 99 VAL CA C 99 60.968 61.281 -0.313 1
1 1096 . 17 1 1 A 99 99 VAL CB C 99 34.186 34.170 0.016 1
1 1098 . 17 1 1 A 99 99 VAL N N 99 122.826 122.974 -0.148 1
1 1099 . 17 1 1 A 100 100 THR H H 100 8.833 8.990 -0.157 1
1 1100 . 17 1 1 A 100 100 THR HA H 100 4.559 4.881 -0.322 1
1 1105 . 17 1 1 A 100 100 THR CA C 100 61.080 60.316 0.764 1
1 1106 . 17 1 1 A 100 100 THR CB C 100 70.669 71.502 -0.833 1
1 1108 . 17 1 1 A 100 100 THR N N 100 121.816 117.406 4.410 1
1 1109 . 17 1 1 A 101 101 ASN H H 101 8.153 8.957 -0.804 1
1 1110 . 17 1 1 A 101 101 ASN HA H 101 4.518 4.399 0.119 1
1 1115 . 17 1 1 A 101 101 ASN CA C 101 54.238 53.728 0.510 1
1 1116 . 17 1 1 A 101 101 ASN CB C 101 38.470 37.322 1.148 1
1 1117 . 17 1 1 A 101 101 ASN N N 101 122.733 119.361 3.372 1
1 1119 . 17 1 1 A 102 102 LEU H H 102 8.160 7.795 0.365 1
1 1120 . 17 1 1 A 102 102 LEU HA H 102 4.245 4.832 -0.587 1
1 1130 . 17 1 1 A 102 102 LEU CA C 102 55.449 53.251 2.198 1
1 1131 . 17 1 1 A 102 102 LEU CB C 102 42.549 45.593 -3.044 1
1 1135 . 17 1 1 A 102 102 LEU N N 102 122.544 120.434 2.110 1
1 1136 . 17 1 1 A 103 103 ASN H H 103 8.405 8.688 -0.283 1
1 1137 . 17 1 1 A 103 103 ASN HA H 103 4.867 4.738 0.129 1
1 1142 . 17 1 1 A 103 103 ASN CA C 103 51.316 52.019 -0.703 1
1 1143 . 17 1 1 A 103 103 ASN CB C 103 39.049 37.552 1.497 1
1 1144 . 17 1 1 A 103 103 ASN N N 103 120.174 118.573 1.601 1
1 1146 . 17 1 1 A 104 104 PRO HA H 104 4.230 4.741 -0.511 1
1 1153 . 17 1 1 A 104 104 PRO CA C 104 63.559 62.644 0.915 1
1 1154 . 17 1 1 A 104 104 PRO CB C 104 32.102 30.904 1.198 1
1 1157 . 17 1 1 A 105 105 ILE H H 105 7.886 8.478 -0.592 1
1 1158 . 17 1 1 A 105 105 ILE HA H 105 3.941 4.288 -0.347 1
1 1168 . 17 1 1 A 105 105 ILE CA C 105 61.348 60.477 0.871 1
1 1169 . 17 1 1 A 105 105 ILE CB C 105 38.569 39.036 -0.467 1
1 1173 . 17 1 1 A 105 105 ILE N N 105 119.390 124.077 -4.687 1
1 1174 . 17 1 1 A 106 106 TYR H H 106 7.961 8.273 -0.312 1
1 1175 . 17 1 1 A 106 106 TYR HA H 106 4.536 4.811 -0.275 1
1 1182 . 17 1 1 A 106 106 TYR CA C 106 57.370 57.350 0.020 1
1 1183 . 17 1 1 A 106 106 TYR CB C 106 38.889 40.133 -1.244 1
1 1184 . 17 1 1 A 106 106 TYR N N 106 123.172 121.780 1.392 1
1 1185 . 17 1 1 A 107 107 ALA H H 107 8.128 7.282 0.846 1
1 1186 . 17 1 1 A 107 107 ALA HA H 107 4.217 3.850 0.367 1
1 1190 . 17 1 1 A 107 107 ALA CA C 107 52.724 52.698 0.026 1
1 1191 . 17 1 1 A 107 107 ALA CB C 107 19.133 17.661 1.472 1
1 1192 . 17 1 1 A 107 107 ALA N N 107 125.520 120.372 5.148 1
1 1193 . 17 1 1 A 108 108 ASP H H 108 8.147 8.673 -0.526 1
1 1194 . 17 1 1 A 108 108 ASP HA H 108 4.511 5.117 -0.606 1
1 1197 . 17 1 1 A 108 108 ASP CA C 108 54.342 54.759 -0.417 1
1 1198 . 17 1 1 A 108 108 ASP CB C 108 41.240 41.942 -0.702 1
1 1199 . 17 1 1 A 108 108 ASP N N 108 119.219 122.060 -2.841 1
1 1200 . 17 1 1 A 109 109 GLY H H 109 8.313 8.509 -0.196 1
1 1201 . 17 1 1 A 109 109 GLY HA2 H 109 3.946 4.250 -0.304 1
1 1202 . 17 1 1 A 109 109 GLY HA3 H 109 3.848 4.254 -0.406 1
1 1203 . 17 1 1 A 109 109 GLY CA C 109 45.692 44.724 0.968 1
1 1204 . 17 1 1 A 109 109 GLY N N 109 109.478 112.539 -3.061 1
1 1205 . 17 1 1 A 110 110 SER H H 110 8.175 8.881 -0.706 1
1 1206 . 17 1 1 A 110 110 SER HA H 110 4.286 4.367 -0.081 1
1 1209 . 17 1 1 A 110 110 SER CA C 110 59.296 62.718 -3.422 1
1 1210 . 17 1 1 A 110 110 SER CB C 110 63.825 63.410 0.415 1
1 1211 . 17 1 1 A 110 110 SER N N 110 115.660 116.286 -0.626 1
1 1212 . 17 1 1 A 111 111 HIS HA H 111 4.527 4.244 0.283 1
1 1215 . 17 1 1 A 111 111 HIS CA C 111 56.109 56.834 -0.725 1
1 1216 . 17 1 1 A 111 111 HIS CB C 111 30.580 28.202 2.378 1
1 1217 . 17 1 1 A 112 112 HIS HA H 112 4.535 5.302 -0.767 1
1 1220 . 17 1 1 A 112 112 HIS CA C 112 57.411 54.800 2.611 1
1 1221 . 17 1 1 A 112 112 HIS CB C 112 30.756 33.685 -2.929 1
1 2 . 18 1 1 A 2 2 VAL H H 2 8.613 8.794 -0.181 1
1 3 . 18 1 1 A 2 2 VAL HA H 2 4.487 5.078 -0.591 1
1 11 . 18 1 1 A 2 2 VAL CA C 2 61.103 59.487 1.616 1
1 12 . 18 1 1 A 2 2 VAL CB C 2 35.731 35.914 -0.183 1
1 15 . 18 1 1 A 2 2 VAL N N 2 117.956 126.027 -8.071 1
1 16 . 18 1 1 A 3 3 ILE H H 3 8.439 8.964 -0.525 1
1 17 . 18 1 1 A 3 3 ILE HA H 3 4.498 4.782 -0.284 1
1 27 . 18 1 1 A 3 3 ILE CA C 3 60.172 59.566 0.606 1
1 28 . 18 1 1 A 3 3 ILE CB C 3 38.528 41.362 -2.834 1
1 32 . 18 1 1 A 3 3 ILE N N 3 125.643 125.553 0.090 1
1 33 . 18 1 1 A 4 4 ILE H H 4 8.543 8.995 -0.452 1
1 34 . 18 1 1 A 4 4 ILE HA H 4 4.005 4.456 -0.451 1
1 44 . 18 1 1 A 4 4 ILE CA C 4 61.550 60.604 0.946 1
1 45 . 18 1 1 A 4 4 ILE CB C 4 38.038 38.007 0.031 1
1 49 . 18 1 1 A 4 4 ILE N N 4 127.460 128.161 -0.701 1
1 50 . 18 1 1 A 5 5 LYS H H 5 8.292 8.663 -0.371 1
1 51 . 18 1 1 A 5 5 LYS HA H 5 5.173 4.658 0.515 1
1 60 . 18 1 1 A 5 5 LYS CA C 5 53.276 52.869 0.407 1
1 61 . 18 1 1 A 5 5 LYS CB C 5 33.713 34.348 -0.635 1
1 65 . 18 1 1 A 5 5 LYS N N 5 126.677 126.443 0.234 1
1 66 . 18 1 1 A 6 6 PRO HA H 6 4.383 4.641 -0.258 1
1 73 . 18 1 1 A 6 6 PRO CA C 6 62.444 62.279 0.165 1
1 74 . 18 1 1 A 6 6 PRO CB C 6 32.018 33.181 -1.163 1
1 77 . 18 1 1 A 7 7 GLN H H 7 9.359 8.621 0.738 1
1 78 . 18 1 1 A 7 7 GLN HA H 7 4.406 4.465 -0.059 1
1 85 . 18 1 1 A 7 7 GLN CA C 7 56.357 55.636 0.721 1
1 86 . 18 1 1 A 7 7 GLN CB C 7 28.784 30.778 -1.994 1
1 88 . 18 1 1 A 7 7 GLN N N 7 119.975 118.980 0.995 1
1 90 . 18 1 1 A 8 8 VAL H H 8 7.032 7.418 -0.386 1
1 91 . 18 1 1 A 8 8 VAL HA H 8 4.486 4.823 -0.337 1
1 99 . 18 1 1 A 8 8 VAL CA C 8 58.874 59.019 -0.145 1
1 100 . 18 1 1 A 8 8 VAL CB C 8 35.169 35.418 -0.249 1
1 103 . 18 1 1 A 8 8 VAL N N 8 111.122 117.358 -6.236 1
1 104 . 18 1 1 A 9 9 SER H H 9 8.210 8.604 -0.394 1
1 105 . 18 1 1 A 9 9 SER HA H 9 4.957 5.178 -0.221 1
1 108 . 18 1 1 A 9 9 SER CA C 9 56.585 57.337 -0.752 1
1 109 . 18 1 1 A 9 9 SER CB C 9 64.442 64.561 -0.119 1
1 110 . 18 1 1 A 9 9 SER N N 9 115.043 118.661 -3.618 1
1 111 . 18 1 1 A 10 10 GLY H H 10 8.003 7.725 0.278 1
1 112 . 18 1 1 A 10 10 GLY HA2 H 10 4.412 4.083 0.329 1
1 113 . 18 1 1 A 10 10 GLY HA3 H 10 3.645 4.169 -0.524 1
1 114 . 18 1 1 A 10 10 GLY CA C 10 45.292 45.958 -0.666 1
1 115 . 18 1 1 A 10 10 GLY N N 10 108.708 110.443 -1.735 1
1 116 . 18 1 1 A 11 11 VAL H H 11 8.006 7.927 0.079 1
1 117 . 18 1 1 A 11 11 VAL HA H 11 4.743 4.880 -0.137 1
1 125 . 18 1 1 A 11 11 VAL CA C 11 60.539 60.555 -0.016 1
1 126 . 18 1 1 A 11 11 VAL CB C 11 34.951 35.624 -0.673 1
1 129 . 18 1 1 A 11 11 VAL N N 11 118.308 120.254 -1.946 1
1 130 . 18 1 1 A 12 12 ILE H H 12 8.459 8.645 -0.186 1
1 131 . 18 1 1 A 12 12 ILE HA H 12 4.050 4.289 -0.239 1
1 141 . 18 1 1 A 12 12 ILE CA C 12 60.287 62.245 -1.958 1
1 142 . 18 1 1 A 12 12 ILE CB C 12 35.650 38.021 -2.371 1
1 146 . 18 1 1 A 12 12 ILE N N 12 125.265 125.770 -0.505 1
1 147 . 18 1 1 A 13 13 VAL H H 13 8.908 9.457 -0.549 1
1 148 . 18 1 1 A 13 13 VAL HA H 13 4.500 4.228 0.272 1
1 156 . 18 1 1 A 13 13 VAL CA C 13 62.126 63.319 -1.193 1
1 157 . 18 1 1 A 13 13 VAL CB C 13 33.291 33.389 -0.098 1
1 160 . 18 1 1 A 13 13 VAL N N 13 124.479 126.241 -1.762 1
1 161 . 18 1 1 A 14 14 ASN H H 14 7.653 7.100 0.553 1
1 162 . 18 1 1 A 14 14 ASN HA H 14 4.819 5.079 -0.260 1
1 167 . 18 1 1 A 14 14 ASN CA C 14 52.806 52.571 0.235 1
1 168 . 18 1 1 A 14 14 ASN CB C 14 41.978 41.901 0.077 1
1 169 . 18 1 1 A 14 14 ASN N N 14 114.961 114.802 0.159 1
1 171 . 18 1 1 A 15 15 LYS H H 15 8.404 8.603 -0.199 1
1 172 . 18 1 1 A 15 15 LYS HA H 15 4.641 4.665 -0.024 1
1 179 . 18 1 1 A 15 15 LYS CA C 15 55.935 54.420 1.515 1
1 180 . 18 1 1 A 15 15 LYS CB C 15 35.274 34.953 0.321 1
1 183 . 18 1 1 A 15 15 LYS N N 15 123.768 119.121 4.647 1
1 184 . 18 1 1 A 16 16 LEU H H 16 8.020 8.919 -0.899 1
1 185 . 18 1 1 A 16 16 LEU HA H 16 4.611 4.516 0.095 1
1 195 . 18 1 1 A 16 16 LEU CA C 16 55.124 53.627 1.497 1
1 196 . 18 1 1 A 16 16 LEU CB C 16 41.308 41.241 0.067 1
1 200 . 18 1 1 A 16 16 LEU N N 16 126.162 126.019 0.143 1
1 201 . 18 1 1 A 17 17 PHE H H 17 6.573 7.717 -1.144 1
1 202 . 18 1 1 A 17 17 PHE HA H 17 4.862 5.211 -0.349 1
1 207 . 18 1 1 A 17 17 PHE CA C 17 55.528 55.390 0.138 1
1 208 . 18 1 1 A 17 17 PHE CB C 17 41.093 42.403 -1.310 1
1 209 . 18 1 1 A 17 17 PHE N N 17 113.628 115.755 -2.127 1
1 210 . 18 1 1 A 18 18 LYS H H 18 8.655 8.572 0.083 1
1 211 . 18 1 1 A 18 18 LYS HA H 18 4.333 4.461 -0.128 1
1 220 . 18 1 1 A 18 18 LYS CA C 18 54.277 53.972 0.305 1
1 221 . 18 1 1 A 18 18 LYS CB C 18 35.134 35.971 -0.837 1
1 225 . 18 1 1 A 18 18 LYS N N 18 120.572 118.573 1.999 1
1 226 . 18 1 1 A 19 19 ALA H H 19 8.407 8.343 0.064 1
1 227 . 18 1 1 A 19 19 ALA HA H 19 3.962 4.792 -0.830 1
1 231 . 18 1 1 A 19 19 ALA CA C 19 53.980 52.421 1.559 1
1 232 . 18 1 1 A 19 19 ALA CB C 19 18.497 19.440 -0.943 1
1 233 . 18 1 1 A 19 19 ALA N N 19 123.842 124.860 -1.018 1
1 234 . 18 1 1 A 20 20 GLY H H 20 8.814 8.492 0.322 1
1 235 . 18 1 1 A 20 20 GLY HA2 H 20 4.313 3.928 0.385 1
1 236 . 18 1 1 A 20 20 GLY HA3 H 20 3.532 3.948 -0.416 1
1 237 . 18 1 1 A 20 20 GLY CA C 20 45.045 45.639 -0.594 1
1 238 . 18 1 1 A 20 20 GLY N N 20 112.434 111.328 1.106 1
1 239 . 18 1 1 A 21 21 ASP H H 21 7.933 7.926 0.007 1
1 240 . 18 1 1 A 21 21 ASP HA H 21 4.499 5.024 -0.525 1
1 243 . 18 1 1 A 21 21 ASP CA C 21 55.383 53.295 2.088 1
1 244 . 18 1 1 A 21 21 ASP CB C 21 41.067 42.925 -1.858 1
1 245 . 18 1 1 A 21 21 ASP N N 21 121.505 120.605 0.900 1
1 246 . 18 1 1 A 22 22 LYS H H 22 8.311 8.439 -0.128 1
1 247 . 18 1 1 A 22 22 LYS HA H 22 4.871 4.997 -0.126 1
1 256 . 18 1 1 A 22 22 LYS CA C 22 55.659 55.120 0.539 1
1 257 . 18 1 1 A 22 22 LYS CB C 22 31.820 34.666 -2.846 1
1 261 . 18 1 1 A 22 22 LYS N N 22 120.225 120.063 0.162 1
1 262 . 18 1 1 A 23 23 VAL H H 23 8.935 8.877 0.058 1
1 263 . 18 1 1 A 23 23 VAL HA H 23 4.841 5.107 -0.266 1
1 271 . 18 1 1 A 23 23 VAL CA C 23 58.502 58.723 -0.221 1
1 272 . 18 1 1 A 23 23 VAL CB C 23 34.507 35.353 -0.846 1
1 275 . 18 1 1 A 23 23 VAL N N 23 117.700 118.434 -0.734 1
1 276 . 18 1 1 A 24 24 LYS H H 24 7.960 8.729 -0.769 1
1 277 . 18 1 1 A 24 24 LYS HA H 24 4.838 4.726 0.112 1
1 286 . 18 1 1 A 24 24 LYS CA C 24 53.195 54.607 -1.412 1
1 287 . 18 1 1 A 24 24 LYS CB C 24 35.213 34.708 0.505 1
1 291 . 18 1 1 A 24 24 LYS N N 24 121.958 121.707 0.251 1
1 292 . 18 1 1 A 25 25 LYS H H 25 8.915 8.491 0.424 1
1 293 . 18 1 1 A 25 25 LYS HA H 25 3.156 4.496 -1.340 1
1 300 . 18 1 1 A 25 25 LYS CA C 25 58.648 56.154 2.494 1
1 301 . 18 1 1 A 25 25 LYS CB C 25 32.648 30.809 1.839 1
1 304 . 18 1 1 A 25 25 LYS N N 25 121.653 120.787 0.866 1
1 305 . 18 1 1 A 26 26 GLY H H 26 8.900 8.242 0.658 1
1 306 . 18 1 1 A 26 26 GLY HA2 H 26 4.283 3.957 0.326 1
1 307 . 18 1 1 A 26 26 GLY HA3 H 26 3.471 3.973 -0.502 1
1 308 . 18 1 1 A 26 26 GLY CA C 26 45.263 45.214 0.049 1
1 309 . 18 1 1 A 26 26 GLY N N 26 115.268 113.391 1.877 1
1 310 . 18 1 1 A 27 27 GLN H H 27 8.433 7.921 0.512 1
1 311 . 18 1 1 A 27 27 GLN HA H 27 4.141 4.397 -0.256 1
1 318 . 18 1 1 A 27 27 GLN CA C 27 56.324 56.107 0.217 1
1 319 . 18 1 1 A 27 27 GLN CB C 27 30.520 29.226 1.294 1
1 321 . 18 1 1 A 27 27 GLN N N 27 123.155 120.205 2.950 1
1 323 . 18 1 1 A 28 28 THR H H 28 9.110 8.776 0.334 1
1 324 . 18 1 1 A 28 28 THR HA H 28 3.893 4.233 -0.340 1
1 329 . 18 1 1 A 28 28 THR CA C 28 65.828 64.390 1.438 1
1 330 . 18 1 1 A 28 28 THR CB C 28 68.581 68.970 -0.389 1
1 332 . 18 1 1 A 28 28 THR N N 28 124.748 117.986 6.762 1
1 333 . 18 1 1 A 29 29 LEU H H 29 9.509 8.943 0.566 1
1 334 . 18 1 1 A 29 29 LEU HA H 29 4.383 4.617 -0.234 1
1 344 . 18 1 1 A 29 29 LEU CA C 29 55.795 55.659 0.136 1
1 345 . 18 1 1 A 29 29 LEU CB C 29 44.572 44.577 -0.005 1
1 349 . 18 1 1 A 29 29 LEU N N 29 125.873 126.855 -0.982 1
1 350 . 18 1 1 A 30 30 PHE H H 30 7.579 7.654 -0.075 1
1 351 . 18 1 1 A 30 30 PHE HA H 30 5.367 5.168 0.199 1
1 359 . 18 1 1 A 30 30 PHE CA C 30 55.486 56.033 -0.547 1
1 360 . 18 1 1 A 30 30 PHE CB C 30 44.887 43.771 1.116 1
1 361 . 18 1 1 A 30 30 PHE N N 30 111.134 115.100 -3.966 1
1 362 . 18 1 1 A 31 31 ILE H H 31 7.858 8.670 -0.812 1
1 363 . 18 1 1 A 31 31 ILE HA H 31 4.817 4.810 0.007 1
1 373 . 18 1 1 A 31 31 ILE CA C 31 60.063 60.231 -0.168 1
1 374 . 18 1 1 A 31 31 ILE CB C 31 39.395 41.981 -2.586 1
1 378 . 18 1 1 A 31 31 ILE N N 31 119.416 119.781 -0.365 1
1 379 . 18 1 1 A 32 32 ILE H H 32 9.107 9.047 0.060 1
1 380 . 18 1 1 A 32 32 ILE HA H 32 4.842 4.911 -0.069 1
1 390 . 18 1 1 A 32 32 ILE CA C 32 59.002 59.943 -0.941 1
1 391 . 18 1 1 A 32 32 ILE CB C 32 42.048 42.515 -0.467 1
1 395 . 18 1 1 A 32 32 ILE N N 32 127.892 125.977 1.915 1
1 396 . 18 1 1 A 33 33 GLU H H 33 9.095 9.133 -0.038 1
1 397 . 18 1 1 A 33 33 GLU HA H 33 4.642 4.834 -0.192 1
1 402 . 18 1 1 A 33 33 GLU CA C 33 54.985 54.813 0.172 1
1 403 . 18 1 1 A 33 33 GLU CB C 33 31.672 31.047 0.625 1
1 405 . 18 1 1 A 33 33 GLU N N 33 128.157 127.180 0.977 1
1 406 . 18 1 1 A 34 34 GLN H H 34 8.725 8.747 -0.022 1
1 407 . 18 1 1 A 34 34 GLN HA H 34 4.354 4.547 -0.193 1
1 414 . 18 1 1 A 34 34 GLN CA C 34 56.807 56.319 0.488 1
1 415 . 18 1 1 A 34 34 GLN CB C 34 30.119 29.299 0.820 1
1 417 . 18 1 1 A 34 34 GLN N N 34 128.123 125.711 2.412 1
1 419 . 18 1 1 A 35 35 ASP H H 35 8.524 8.671 -0.147 1
1 420 . 18 1 1 A 35 35 ASP HA H 35 4.609 4.468 0.141 1
1 423 . 18 1 1 A 35 35 ASP CA C 35 54.226 57.466 -3.240 1
1 424 . 18 1 1 A 35 35 ASP CB C 35 41.429 41.192 0.237 1
1 425 . 18 1 1 A 35 35 ASP N N 35 122.485 122.538 -0.053 1
1 426 . 18 1 1 A 36 36 GLN H H 36 8.576 7.950 0.626 1
1 427 . 18 1 1 A 36 36 GLN HA H 36 4.041 4.244 -0.203 1
1 434 . 18 1 1 A 36 36 GLN CA C 36 56.662 58.381 -1.719 1
1 435 . 18 1 1 A 36 36 GLN CB C 36 29.166 27.647 1.519 1
1 437 . 18 1 1 A 36 36 GLN N N 36 123.321 117.643 5.678 1
1 439 . 18 1 1 A 37 37 ALA H H 37 8.322 8.582 -0.260 1
1 440 . 18 1 1 A 37 37 ALA HA H 37 4.232 4.463 -0.231 1
1 444 . 18 1 1 A 37 37 ALA CA C 37 53.231 51.791 1.440 1
1 445 . 18 1 1 A 37 37 ALA CB C 37 19.020 18.313 0.707 1
1 446 . 18 1 1 A 37 37 ALA N N 37 123.086 126.840 -3.754 1
1 447 . 18 1 1 A 38 38 SER H H 38 7.919 8.539 -0.620 1
1 448 . 18 1 1 A 38 38 SER HA H 38 4.283 4.197 0.086 1
1 451 . 18 1 1 A 38 38 SER CA C 38 58.884 59.077 -0.193 1
1 452 . 18 1 1 A 38 38 SER CB C 38 63.835 61.463 2.372 1
1 453 . 18 1 1 A 38 38 SER N N 38 113.578 112.452 1.126 1
1 454 . 18 1 1 A 39 39 LYS H H 39 8.153 8.113 0.040 1
1 455 . 18 1 1 A 39 39 LYS HA H 39 4.140 4.136 0.004 1
1 463 . 18 1 1 A 39 39 LYS CA C 39 57.127 59.207 -2.080 1
1 464 . 18 1 1 A 39 39 LYS CB C 39 32.812 32.154 0.658 1
1 468 . 18 1 1 A 39 39 LYS N N 39 122.651 127.423 -4.772 1
1 469 . 18 1 1 A 40 40 ASP H H 40 8.100 8.144 -0.044 1
1 470 . 18 1 1 A 40 40 ASP HA H 40 4.532 4.419 0.113 1
1 473 . 18 1 1 A 40 40 ASP CA C 40 54.376 56.260 -1.884 1
1 474 . 18 1 1 A 40 40 ASP CB C 40 41.245 40.850 0.395 1
1 475 . 18 1 1 A 40 40 ASP N N 40 119.441 119.528 -0.087 1
1 476 . 18 1 1 A 41 41 PHE H H 41 7.924 7.776 0.148 1
1 477 . 18 1 1 A 41 41 PHE HA H 41 4.384 4.531 -0.147 1
1 484 . 18 1 1 A 41 41 PHE CA C 41 58.704 59.144 -0.440 1
1 485 . 18 1 1 A 41 41 PHE CB C 41 39.397 37.971 1.426 1
1 486 . 18 1 1 A 41 41 PHE N N 41 121.124 118.345 2.779 1
1 487 . 18 1 1 A 42 42 ASN H H 42 8.311 8.011 0.300 1
1 488 . 18 1 1 A 42 42 ASN HA H 42 4.523 4.287 0.236 1
1 492 . 18 1 1 A 42 42 ASN CA C 42 53.133 56.326 -3.193 1
1 493 . 18 1 1 A 42 42 ASN CB C 42 38.801 38.757 0.044 1
1 494 . 18 1 1 A 42 42 ASN N N 42 120.181 120.235 -0.054 1
1 496 . 18 1 1 A 43 43 ARG H H 43 8.133 8.015 0.118 1
1 497 . 18 1 1 A 43 43 ARG HA H 43 4.115 4.133 -0.018 1
1 504 . 18 1 1 A 43 43 ARG CA C 43 57.051 58.063 -1.012 1
1 505 . 18 1 1 A 43 43 ARG CB C 43 30.514 29.805 0.709 1
1 508 . 18 1 1 A 43 43 ARG N N 43 121.727 119.443 2.284 1
1 509 . 18 1 1 A 44 44 SER H H 44 8.174 8.659 -0.485 1
1 510 . 18 1 1 A 44 44 SER HA H 44 4.286 4.148 0.138 1
1 513 . 18 1 1 A 44 44 SER CA C 44 59.344 62.398 -3.054 1
1 514 . 18 1 1 A 44 44 SER CB C 44 63.357 63.079 0.278 1
1 515 . 18 1 1 A 44 44 SER N N 44 115.718 115.309 0.409 1
1 516 . 18 1 1 A 45 45 LYS H H 45 7.963 8.343 -0.380 1
1 517 . 18 1 1 A 45 45 LYS HA H 45 4.123 4.130 -0.007 1
1 526 . 18 1 1 A 45 45 LYS CA C 45 56.866 58.503 -1.637 1
1 527 . 18 1 1 A 45 45 LYS CB C 45 32.777 32.511 0.266 1
1 530 . 18 1 1 A 45 45 LYS N N 45 122.326 119.434 2.892 1
1 531 . 18 1 1 A 46 46 ALA H H 46 7.965 7.923 0.042 1
1 532 . 18 1 1 A 46 46 ALA HA H 46 4.165 4.554 -0.389 1
1 536 . 18 1 1 A 46 46 ALA CA C 46 52.999 50.407 2.592 1
1 537 . 18 1 1 A 46 46 ALA CB C 46 18.944 18.905 0.039 1
1 538 . 18 1 1 A 46 46 ALA N N 46 123.536 122.012 1.524 1
1 539 . 18 1 1 A 47 47 LEU H H 47 7.898 8.285 -0.387 1
1 540 . 18 1 1 A 47 47 LEU HA H 47 4.158 4.313 -0.155 1
1 550 . 18 1 1 A 47 47 LEU CA C 47 55.583 55.992 -0.409 1
1 551 . 18 1 1 A 47 47 LEU CB C 47 42.404 41.884 0.520 1
1 555 . 18 1 1 A 47 47 LEU N N 47 119.914 123.795 -3.881 1
1 556 . 18 1 1 A 48 48 PHE H H 48 7.981 8.951 -0.970 1
1 557 . 18 1 1 A 48 48 PHE HA H 48 4.539 4.509 0.030 1
1 564 . 18 1 1 A 48 48 PHE CA C 48 58.033 58.234 -0.201 1
1 565 . 18 1 1 A 48 48 PHE CB C 48 39.470 39.553 -0.083 1
1 566 . 18 1 1 A 48 48 PHE N N 48 119.602 124.877 -5.275 1
1 567 . 18 1 1 A 49 49 SER H H 49 8.028 9.008 -0.980 1
1 568 . 18 1 1 A 49 49 SER HA H 49 4.332 4.364 -0.032 1
1 571 . 18 1 1 A 49 49 SER CA C 49 58.581 58.824 -0.243 1
1 572 . 18 1 1 A 49 49 SER CB C 49 63.866 64.160 -0.294 1
1 573 . 18 1 1 A 49 49 SER N N 49 116.270 114.509 1.761 1
1 574 . 18 1 1 A 50 50 GLN H H 50 8.266 7.840 0.426 1
1 575 . 18 1 1 A 50 50 GLN HA H 50 4.257 4.541 -0.284 1
1 582 . 18 1 1 A 50 50 GLN CA C 50 56.435 56.781 -0.346 1
1 583 . 18 1 1 A 50 50 GLN CB C 50 29.204 32.136 -2.932 1
1 585 . 18 1 1 A 50 50 GLN N N 50 121.931 119.453 2.478 1
1 587 . 18 1 1 A 51 51 SER H H 51 8.147 7.929 0.218 1
1 588 . 18 1 1 A 51 51 SER HA H 51 4.338 4.864 -0.526 1
1 591 . 18 1 1 A 51 51 SER CA C 51 58.645 57.592 1.053 1
1 592 . 18 1 1 A 51 51 SER CB C 51 63.784 64.215 -0.431 1
1 593 . 18 1 1 A 51 51 SER N N 51 115.676 114.133 1.543 1
1 594 . 18 1 1 A 52 52 ALA H H 52 8.175 8.247 -0.072 1
1 595 . 18 1 1 A 52 52 ALA HA H 52 4.265 4.268 -0.003 1
1 599 . 18 1 1 A 52 52 ALA CA C 52 53.031 54.759 -1.728 1
1 600 . 18 1 1 A 52 52 ALA CB C 52 18.941 19.573 -0.632 1
1 601 . 18 1 1 A 52 52 ALA N N 52 125.360 123.919 1.441 1
1 602 . 18 1 1 A 53 53 ILE H H 53 7.870 7.967 -0.097 1
1 603 . 18 1 1 A 53 53 ILE HA H 53 4.099 5.109 -1.010 1
1 613 . 18 1 1 A 53 53 ILE CA C 53 61.558 60.182 1.376 1
1 614 . 18 1 1 A 53 53 ILE CB C 53 38.851 43.354 -4.503 1
1 618 . 18 1 1 A 53 53 ILE N N 53 118.231 117.044 1.187 1
1 619 . 18 1 1 A 54 54 SER H H 54 8.159 8.744 -0.585 1
1 620 . 18 1 1 A 54 54 SER HA H 54 4.384 5.023 -0.639 1
1 623 . 18 1 1 A 54 54 SER CA C 54 58.551 56.974 1.577 1
1 624 . 18 1 1 A 54 54 SER CB C 54 63.964 65.993 -2.029 1
1 625 . 18 1 1 A 54 54 SER N N 54 118.588 120.212 -1.624 1
1 626 . 18 1 1 A 55 55 GLN H H 55 8.301 8.924 -0.623 1
1 627 . 18 1 1 A 55 55 GLN HA H 55 4.214 3.006 1.208 1
1 634 . 18 1 1 A 55 55 GLN CA C 55 56.547 57.831 -1.284 1
1 635 . 18 1 1 A 55 55 GLN CB C 55 29.292 27.549 1.743 1
1 637 . 18 1 1 A 55 55 GLN N N 55 122.173 124.511 -2.338 1
1 639 . 18 1 1 A 56 56 LYS H H 56 8.163 7.595 0.568 1
1 640 . 18 1 1 A 56 56 LYS HA H 56 4.177 3.972 0.205 1
1 647 . 18 1 1 A 56 56 LYS CA C 56 56.978 58.644 -1.666 1
1 648 . 18 1 1 A 56 56 LYS CB C 56 32.855 31.966 0.889 1
1 651 . 18 1 1 A 56 56 LYS N N 56 121.126 118.281 2.845 1
1 652 . 18 1 1 A 57 57 GLU H H 57 8.211 7.941 0.270 1
1 653 . 18 1 1 A 57 57 GLU HA H 57 4.151 4.376 -0.225 1
1 658 . 18 1 1 A 57 57 GLU CA C 57 57.058 56.784 0.274 1
1 659 . 18 1 1 A 57 57 GLU CB C 57 30.211 32.713 -2.502 1
1 661 . 18 1 1 A 57 57 GLU N N 57 120.615 116.480 4.135 1
1 662 . 18 1 1 A 58 58 TYR H H 58 8.070 7.249 0.821 1
1 663 . 18 1 1 A 58 58 TYR HA H 58 4.375 5.027 -0.652 1
1 670 . 18 1 1 A 58 58 TYR CA C 58 58.570 54.864 3.706 1
1 671 . 18 1 1 A 58 58 TYR CB C 58 38.962 41.419 -2.457 1
1 672 . 18 1 1 A 58 58 TYR N N 58 120.822 116.961 3.861 1
1 673 . 18 1 1 A 59 59 ASP H H 59 8.146 8.721 -0.575 1
1 674 . 18 1 1 A 59 59 ASP HA H 59 4.492 4.779 -0.287 1
1 677 . 18 1 1 A 59 59 ASP CA C 59 54.396 52.312 2.084 1
1 678 . 18 1 1 A 59 59 ASP CB C 59 41.086 43.645 -2.559 1
1 679 . 18 1 1 A 59 59 ASP N N 59 122.551 120.690 1.861 1
1 680 . 18 1 1 A 60 60 SER H H 60 8.253 8.639 -0.386 1
1 681 . 18 1 1 A 60 60 SER HA H 60 4.260 4.411 -0.151 1
1 684 . 18 1 1 A 60 60 SER CA C 60 59.533 59.466 0.067 1
1 685 . 18 1 1 A 60 60 SER CB C 60 63.422 63.632 -0.210 1
1 686 . 18 1 1 A 60 60 SER N N 60 117.657 115.746 1.911 1
1 687 . 18 1 1 A 61 61 SER H H 61 8.344 8.090 0.254 1
1 688 . 18 1 1 A 61 61 SER HA H 61 4.307 4.150 0.157 1
1 691 . 18 1 1 A 61 61 SER CA C 61 59.755 61.787 -2.032 1
1 692 . 18 1 1 A 61 61 SER CB C 61 63.582 62.798 0.784 1
1 693 . 18 1 1 A 61 61 SER N N 61 118.129 117.477 0.652 1
1 694 . 18 1 1 A 62 62 LEU H H 62 7.759 7.937 -0.178 1
1 695 . 18 1 1 A 62 62 LEU HA H 62 4.234 4.098 0.136 1
1 705 . 18 1 1 A 62 62 LEU CA C 62 55.464 58.020 -2.556 1
1 706 . 18 1 1 A 62 62 LEU CB C 62 42.238 41.732 0.506 1
1 710 . 18 1 1 A 62 62 LEU N N 62 122.627 118.141 4.486 1
1 711 . 18 1 1 A 63 63 ALA H H 63 7.919 7.888 0.031 1
1 712 . 18 1 1 A 63 63 ALA HA H 63 4.276 4.128 0.148 1
1 716 . 18 1 1 A 63 63 ALA CA C 63 52.922 52.924 -0.002 1
1 717 . 18 1 1 A 63 63 ALA CB C 63 19.221 18.100 1.121 1
1 718 . 18 1 1 A 63 63 ALA N N 63 123.444 119.235 4.209 1
1 719 . 18 1 1 A 64 64 THR H H 64 7.890 8.731 -0.841 1
1 720 . 18 1 1 A 64 64 THR HA H 64 4.217 4.276 -0.059 1
1 725 . 18 1 1 A 64 64 THR CA C 64 61.787 62.511 -0.724 1
1 726 . 18 1 1 A 64 64 THR CB C 64 69.719 68.881 0.838 1
1 728 . 18 1 1 A 64 64 THR N N 64 112.279 119.148 -6.869 1
1 729 . 18 1 1 A 65 65 LEU H H 65 8.009 8.388 -0.379 1
1 730 . 18 1 1 A 65 65 LEU HA H 65 4.295 4.204 0.091 1
1 740 . 18 1 1 A 65 65 LEU CA C 65 55.345 55.011 0.334 1
1 741 . 18 1 1 A 65 65 LEU CB C 65 42.412 41.680 0.732 1
1 745 . 18 1 1 A 65 65 LEU N N 65 123.586 122.436 1.150 1
1 746 . 18 1 1 A 66 66 ASP H H 66 8.288 7.798 0.490 1
1 747 . 18 1 1 A 66 66 ASP HA H 66 4.564 4.278 0.286 1
1 750 . 18 1 1 A 66 66 ASP CA C 66 54.676 54.781 -0.105 1
1 751 . 18 1 1 A 66 66 ASP CB C 66 41.376 39.527 1.849 1
1 752 . 18 1 1 A 66 66 ASP N N 66 120.344 117.617 2.727 1
1 753 . 18 1 1 A 67 67 HIS H H 67 8.058 8.415 -0.357 1
1 754 . 18 1 1 A 67 67 HIS HA H 67 5.247 5.069 0.178 1
1 758 . 18 1 1 A 67 67 HIS CA C 67 55.260 54.632 0.628 1
1 759 . 18 1 1 A 67 67 HIS CB C 67 31.974 32.050 -0.076 1
1 760 . 18 1 1 A 67 67 HIS N N 67 119.406 119.012 0.394 1
1 761 . 18 1 1 A 68 68 THR H H 68 8.919 9.167 -0.248 1
1 762 . 18 1 1 A 68 68 THR HA H 68 4.484 4.782 -0.298 1
1 767 . 18 1 1 A 68 68 THR CA C 68 62.542 61.475 1.067 1
1 768 . 18 1 1 A 68 68 THR CB C 68 71.067 69.789 1.278 1
1 770 . 18 1 1 A 68 68 THR N N 68 117.233 118.585 -1.352 1
1 771 . 18 1 1 A 69 69 GLU H H 69 8.649 8.964 -0.315 1
1 772 . 18 1 1 A 69 69 GLU HA H 69 4.703 4.678 0.025 1
1 777 . 18 1 1 A 69 69 GLU CA C 69 55.886 56.035 -0.149 1
1 778 . 18 1 1 A 69 69 GLU CB C 69 31.746 31.167 0.579 1
1 780 . 18 1 1 A 69 69 GLU N N 69 124.187 127.109 -2.922 1
1 781 . 18 1 1 A 70 70 ILE H H 70 8.601 8.822 -0.221 1
1 782 . 18 1 1 A 70 70 ILE HA H 70 4.405 4.343 0.062 1
1 792 . 18 1 1 A 70 70 ILE CA C 70 59.234 60.887 -1.653 1
1 793 . 18 1 1 A 70 70 ILE CB C 70 37.318 37.511 -0.193 1
1 797 . 18 1 1 A 70 70 ILE N N 70 123.482 124.668 -1.186 1
1 798 . 18 1 1 A 71 71 LYS H H 71 8.926 8.993 -0.067 1
1 799 . 18 1 1 A 71 71 LYS HA H 71 5.078 5.285 -0.207 1
1 806 . 18 1 1 A 71 71 LYS CA C 71 54.584 54.674 -0.090 1
1 807 . 18 1 1 A 71 71 LYS CB C 71 36.281 35.474 0.807 1
1 810 . 18 1 1 A 71 71 LYS N N 71 128.267 124.917 3.350 1
1 811 . 18 1 1 A 72 72 ALA H H 72 8.633 8.522 0.111 1
1 812 . 18 1 1 A 72 72 ALA HA H 72 4.067 4.387 -0.320 1
1 816 . 18 1 1 A 72 72 ALA CA C 72 49.967 50.911 -0.944 1
1 817 . 18 1 1 A 72 72 ALA CB C 72 17.255 17.793 -0.538 1
1 818 . 18 1 1 A 72 72 ALA N N 72 123.088 123.474 -0.386 1
1 819 . 18 1 1 A 73 73 PRO HA H 73 4.333 4.197 0.136 1
1 826 . 18 1 1 A 73 73 PRO CA C 73 63.716 64.131 -0.415 1
1 827 . 18 1 1 A 73 73 PRO CB C 73 31.915 31.431 0.484 1
1 830 . 18 1 1 A 74 74 PHE H H 74 6.768 7.051 -0.283 1
1 831 . 18 1 1 A 74 74 PHE HA H 74 4.421 4.846 -0.425 1
1 838 . 18 1 1 A 74 74 PHE CA C 74 54.396 56.254 -1.858 1
1 839 . 18 1 1 A 74 74 PHE CB C 74 40.697 40.330 0.367 1
1 840 . 18 1 1 A 74 74 PHE N N 74 112.022 112.065 -0.043 1
1 841 . 18 1 1 A 75 75 ASP H H 75 8.583 8.771 -0.188 1
1 842 . 18 1 1 A 75 75 ASP HA H 75 4.922 4.889 0.033 1
1 845 . 18 1 1 A 75 75 ASP CA C 75 53.873 54.921 -1.048 1
1 846 . 18 1 1 A 75 75 ASP CB C 75 40.839 41.114 -0.275 1
1 847 . 18 1 1 A 75 75 ASP N N 75 118.252 119.975 -1.723 1
1 848 . 18 1 1 A 76 76 GLY H H 76 8.348 8.196 0.152 1
1 849 . 18 1 1 A 76 76 GLY HA2 H 76 4.236 4.311 -0.075 1
1 850 . 18 1 1 A 76 76 GLY HA3 H 76 4.075 4.352 -0.277 1
1 851 . 18 1 1 A 76 76 GLY CA C 76 46.639 46.082 0.557 1
1 852 . 18 1 1 A 76 76 GLY N N 76 108.729 107.325 1.404 1
1 853 . 18 1 1 A 77 77 THR H H 77 8.623 8.598 0.025 1
1 854 . 18 1 1 A 77 77 THR HA H 77 4.975 5.190 -0.215 1
1 859 . 18 1 1 A 77 77 THR CA C 77 61.752 61.424 0.328 1
1 860 . 18 1 1 A 77 77 THR CB C 77 70.121 71.462 -1.341 1
1 862 . 18 1 1 A 77 77 THR N N 77 116.400 116.223 0.177 1
1 863 . 18 1 1 A 78 78 ILE H H 78 8.824 8.849 -0.025 1
1 864 . 18 1 1 A 78 78 ILE HA H 78 4.673 5.176 -0.503 1
1 874 . 18 1 1 A 78 78 ILE CA C 78 60.164 59.420 0.744 1
1 875 . 18 1 1 A 78 78 ILE CB C 78 42.973 41.096 1.877 1
1 879 . 18 1 1 A 78 78 ILE N N 78 129.310 127.424 1.886 1
1 880 . 18 1 1 A 79 79 GLY H H 79 8.060 8.535 -0.475 1
1 881 . 18 1 1 A 79 79 GLY HA2 H 79 4.404 4.169 0.235 1
1 882 . 18 1 1 A 79 79 GLY HA3 H 79 3.775 4.177 -0.402 1
1 883 . 18 1 1 A 79 79 GLY CA C 79 44.149 44.760 -0.611 1
1 884 . 18 1 1 A 79 79 GLY N N 79 114.539 116.024 -1.485 1
1 885 . 18 1 1 A 80 80 ASP H H 80 7.804 8.472 -0.668 1
1 886 . 18 1 1 A 80 80 ASP HA H 80 4.703 5.110 -0.407 1
1 889 . 18 1 1 A 80 80 ASP CA C 80 53.703 52.498 1.205 1
1 890 . 18 1 1 A 80 80 ASP CB C 80 41.918 43.120 -1.202 1
1 891 . 18 1 1 A 80 80 ASP N N 80 113.688 121.622 -7.934 1
1 892 . 18 1 1 A 81 81 ALA H H 81 8.566 8.761 -0.195 1
1 893 . 18 1 1 A 81 81 ALA HA H 81 4.571 4.940 -0.369 1
1 897 . 18 1 1 A 81 81 ALA CA C 81 53.312 51.059 2.253 1
1 898 . 18 1 1 A 81 81 ALA CB C 81 20.381 21.103 -0.722 1
1 899 . 18 1 1 A 81 81 ALA N N 81 124.136 123.043 1.093 1
1 900 . 18 1 1 A 82 82 LEU H H 82 8.747 8.572 0.175 1
1 901 . 18 1 1 A 82 82 LEU HA H 82 4.345 4.473 -0.128 1
1 910 . 18 1 1 A 82 82 LEU CA C 82 55.210 55.840 -0.630 1
1 911 . 18 1 1 A 82 82 LEU CB C 82 41.457 43.357 -1.900 1
1 914 . 18 1 1 A 82 82 LEU N N 82 121.773 119.814 1.959 1
1 915 . 18 1 1 A 83 83 VAL H H 83 7.141 7.395 -0.254 1
1 916 . 18 1 1 A 83 83 VAL HA H 83 4.496 4.646 -0.150 1
1 924 . 18 1 1 A 83 83 VAL CA C 83 58.502 59.848 -1.346 1
1 925 . 18 1 1 A 83 83 VAL CB C 83 35.229 34.402 0.827 1
1 928 . 18 1 1 A 83 83 VAL N N 83 108.169 114.400 -6.231 1
1 929 . 18 1 1 A 84 84 ASN H H 84 9.076 8.703 0.373 1
1 930 . 18 1 1 A 84 84 ASN HA H 84 4.887 5.269 -0.382 1
1 935 . 18 1 1 A 84 84 ASN CA C 84 51.248 51.805 -0.557 1
1 936 . 18 1 1 A 84 84 ASN CB C 84 41.989 41.926 0.063 1
1 937 . 18 1 1 A 84 84 ASN N N 84 119.502 118.485 1.017 1
1 939 . 18 1 1 A 85 85 ILE H H 85 8.404 8.443 -0.039 1
1 940 . 18 1 1 A 85 85 ILE HA H 85 3.393 4.201 -0.808 1
1 950 . 18 1 1 A 85 85 ILE CA C 85 63.873 62.323 1.550 1
1 951 . 18 1 1 A 85 85 ILE CB C 85 37.146 38.663 -1.517 1
1 955 . 18 1 1 A 85 85 ILE N N 85 119.409 121.463 -2.054 1
1 956 . 18 1 1 A 86 86 GLY H H 86 9.239 8.569 0.670 1
1 957 . 18 1 1 A 86 86 GLY HA2 H 86 4.401 3.881 0.520 1
1 958 . 18 1 1 A 86 86 GLY HA3 H 86 3.411 3.886 -0.475 1
1 959 . 18 1 1 A 86 86 GLY CA C 86 44.869 45.886 -1.017 1
1 960 . 18 1 1 A 86 86 GLY N N 86 117.321 115.619 1.702 1
1 961 . 18 1 1 A 87 87 ASP H H 87 7.968 8.165 -0.197 1
1 962 . 18 1 1 A 87 87 ASP HA H 87 4.607 4.949 -0.342 1
1 965 . 18 1 1 A 87 87 ASP CA C 87 54.886 53.167 1.719 1
1 966 . 18 1 1 A 87 87 ASP CB C 87 40.771 42.893 -2.122 1
1 967 . 18 1 1 A 87 87 ASP N N 87 121.490 121.265 0.225 1
1 968 . 18 1 1 A 88 88 TYR H H 88 8.566 8.971 -0.405 1
1 969 . 18 1 1 A 88 88 TYR HA H 88 4.712 4.948 -0.236 1
1 976 . 18 1 1 A 88 88 TYR CA C 88 57.826 59.810 -1.984 1
1 977 . 18 1 1 A 88 88 TYR CB C 88 39.243 39.190 0.053 1
1 978 . 18 1 1 A 88 88 TYR N N 88 122.340 126.186 -3.846 1
1 979 . 18 1 1 A 89 89 VAL H H 89 8.951 8.535 0.416 1
1 980 . 18 1 1 A 89 89 VAL HA H 89 4.578 4.864 -0.286 1
1 988 . 18 1 1 A 89 89 VAL CA C 89 58.339 59.119 -0.780 1
1 989 . 18 1 1 A 89 89 VAL CB C 89 34.321 36.009 -1.688 1
1 992 . 18 1 1 A 89 89 VAL N N 89 121.914 120.765 1.149 1
1 993 . 18 1 1 A 90 90 SER H H 90 8.777 8.748 0.029 1
1 994 . 18 1 1 A 90 90 SER HA H 90 4.750 4.630 0.120 1
1 997 . 18 1 1 A 90 90 SER CA C 90 56.895 57.233 -0.338 1
1 998 . 18 1 1 A 90 90 SER CB C 90 64.866 65.467 -0.601 1
1 999 . 18 1 1 A 90 90 SER N N 90 114.813 116.346 -1.533 1
1 1000 . 18 1 1 A 91 91 ALA H H 91 8.712 8.820 -0.108 1
1 1001 . 18 1 1 A 91 91 ALA HA H 91 3.515 4.397 -0.882 1
1 1005 . 18 1 1 A 91 91 ALA CA C 91 53.317 54.519 -1.202 1
1 1006 . 18 1 1 A 91 91 ALA CB C 91 18.678 19.016 -0.338 1
1 1007 . 18 1 1 A 91 91 ALA N N 91 129.870 123.811 6.059 1
1 1008 . 18 1 1 A 92 92 SER H H 92 9.170 8.084 1.086 1
1 1009 . 18 1 1 A 92 92 SER HA H 92 3.817 4.388 -0.571 1
1 1012 . 18 1 1 A 92 92 SER CA C 92 60.652 58.814 1.838 1
1 1013 . 18 1 1 A 92 92 SER CB C 92 62.505 63.597 -1.092 1
1 1014 . 18 1 1 A 92 92 SER N N 92 113.294 112.475 0.819 1
1 1015 . 18 1 1 A 93 93 THR H H 93 7.816 7.514 0.302 1
1 1016 . 18 1 1 A 93 93 THR HA H 93 4.402 4.347 0.055 1
1 1021 . 18 1 1 A 93 93 THR CA C 93 64.378 62.657 1.721 1
1 1022 . 18 1 1 A 93 93 THR CB C 93 70.948 69.158 1.790 1
1 1024 . 18 1 1 A 93 93 THR N N 93 113.858 113.791 0.067 1
1 1025 . 18 1 1 A 94 94 THR H H 94 7.702 7.566 0.136 1
1 1026 . 18 1 1 A 94 94 THR HA H 94 3.910 4.448 -0.538 1
1 1031 . 18 1 1 A 94 94 THR CA C 94 65.140 60.816 4.324 1
1 1032 . 18 1 1 A 94 94 THR CB C 94 70.001 68.857 1.144 1
1 1034 . 18 1 1 A 94 94 THR N N 94 119.588 117.164 2.424 1
1 1035 . 18 1 1 A 95 95 GLU H H 95 8.407 8.496 -0.089 1
1 1036 . 18 1 1 A 95 95 GLU HA H 95 3.801 4.732 -0.931 1
1 1041 . 18 1 1 A 95 95 GLU CA C 95 56.613 55.396 1.217 1
1 1042 . 18 1 1 A 95 95 GLU CB C 95 29.600 30.355 -0.755 1
1 1044 . 18 1 1 A 95 95 GLU N N 95 124.764 127.195 -2.431 1
1 1045 . 18 1 1 A 96 96 LEU H H 96 8.750 8.536 0.214 1
1 1046 . 18 1 1 A 96 96 LEU HA H 96 4.260 4.374 -0.114 1
1 1056 . 18 1 1 A 96 96 LEU CA C 96 56.927 54.626 2.301 1
1 1057 . 18 1 1 A 96 96 LEU CB C 96 43.310 42.367 0.943 1
1 1061 . 18 1 1 A 96 96 LEU N N 96 120.035 121.058 -1.023 1
1 1062 . 18 1 1 A 97 97 VAL H H 97 7.053 7.247 -0.194 1
1 1063 . 18 1 1 A 97 97 VAL HA H 97 4.345 4.322 0.023 1
1 1071 . 18 1 1 A 97 97 VAL CA C 97 61.291 60.319 0.972 1
1 1072 . 18 1 1 A 97 97 VAL CB C 97 31.577 33.948 -2.371 1
1 1075 . 18 1 1 A 97 97 VAL N N 97 112.365 117.130 -4.765 1
1 1076 . 18 1 1 A 98 98 ARG H H 98 8.980 8.727 0.253 1
1 1077 . 18 1 1 A 98 98 ARG HA H 98 5.267 5.016 0.251 1
1 1084 . 18 1 1 A 98 98 ARG CA C 98 55.195 54.100 1.095 1
1 1085 . 18 1 1 A 98 98 ARG CB C 98 32.818 33.929 -1.111 1
1 1088 . 18 1 1 A 98 98 ARG N N 98 127.477 126.147 1.330 1
1 1089 . 18 1 1 A 99 99 VAL H H 99 8.887 8.757 0.130 1
1 1090 . 18 1 1 A 99 99 VAL HA H 99 4.556 5.211 -0.655 1
1 1095 . 18 1 1 A 99 99 VAL CA C 99 60.968 61.224 -0.256 1
1 1096 . 18 1 1 A 99 99 VAL CB C 99 34.186 34.244 -0.058 1
1 1098 . 18 1 1 A 99 99 VAL N N 99 122.826 122.535 0.291 1
1 1099 . 18 1 1 A 100 100 THR H H 100 8.833 9.001 -0.168 1
1 1100 . 18 1 1 A 100 100 THR HA H 100 4.559 4.860 -0.301 1
1 1105 . 18 1 1 A 100 100 THR CA C 100 61.080 60.297 0.783 1
1 1106 . 18 1 1 A 100 100 THR CB C 100 70.669 71.711 -1.042 1
1 1108 . 18 1 1 A 100 100 THR N N 100 121.816 116.670 5.146 1
1 1109 . 18 1 1 A 101 101 ASN H H 101 8.153 8.775 -0.622 1
1 1110 . 18 1 1 A 101 101 ASN HA H 101 4.518 4.287 0.231 1
1 1115 . 18 1 1 A 101 101 ASN CA C 101 54.238 53.794 0.444 1
1 1116 . 18 1 1 A 101 101 ASN CB C 101 38.470 37.116 1.354 1
1 1117 . 18 1 1 A 101 101 ASN N N 101 122.733 118.064 4.669 1
1 1119 . 18 1 1 A 102 102 LEU H H 102 8.160 8.106 0.054 1
1 1120 . 18 1 1 A 102 102 LEU HA H 102 4.245 4.731 -0.486 1
1 1130 . 18 1 1 A 102 102 LEU CA C 102 55.449 53.254 2.195 1
1 1131 . 18 1 1 A 102 102 LEU CB C 102 42.549 45.861 -3.312 1
1 1135 . 18 1 1 A 102 102 LEU N N 102 122.544 122.104 0.440 1
1 1136 . 18 1 1 A 103 103 ASN H H 103 8.405 8.682 -0.277 1
1 1137 . 18 1 1 A 103 103 ASN HA H 103 4.867 4.901 -0.034 1
1 1142 . 18 1 1 A 103 103 ASN CA C 103 51.316 51.831 -0.515 1
1 1143 . 18 1 1 A 103 103 ASN CB C 103 39.049 37.359 1.690 1
1 1144 . 18 1 1 A 103 103 ASN N N 103 120.174 120.706 -0.532 1
1 1146 . 18 1 1 A 104 104 PRO HA H 104 4.230 4.774 -0.544 1
1 1153 . 18 1 1 A 104 104 PRO CA C 104 63.559 62.635 0.924 1
1 1154 . 18 1 1 A 104 104 PRO CB C 104 32.102 30.724 1.378 1
1 1157 . 18 1 1 A 105 105 ILE H H 105 7.886 8.207 -0.321 1
1 1158 . 18 1 1 A 105 105 ILE HA H 105 3.941 4.537 -0.596 1
1 1168 . 18 1 1 A 105 105 ILE CA C 105 61.348 60.142 1.206 1
1 1169 . 18 1 1 A 105 105 ILE CB C 105 38.569 39.727 -1.158 1
1 1173 . 18 1 1 A 105 105 ILE N N 105 119.390 123.968 -4.578 1
1 1174 . 18 1 1 A 106 106 TYR H H 106 7.961 8.137 -0.176 1
1 1175 . 18 1 1 A 106 106 TYR HA H 106 4.536 4.908 -0.372 1
1 1182 . 18 1 1 A 106 106 TYR CA C 106 57.370 57.007 0.363 1
1 1183 . 18 1 1 A 106 106 TYR CB C 106 38.889 39.615 -0.726 1
1 1184 . 18 1 1 A 106 106 TYR N N 106 123.172 121.691 1.481 1
1 1185 . 18 1 1 A 107 107 ALA H H 107 8.128 7.372 0.756 1
1 1186 . 18 1 1 A 107 107 ALA HA H 107 4.217 4.540 -0.323 1
1 1190 . 18 1 1 A 107 107 ALA CA C 107 52.724 51.117 1.607 1
1 1191 . 18 1 1 A 107 107 ALA CB C 107 19.133 21.836 -2.703 1
1 1192 . 18 1 1 A 107 107 ALA N N 107 125.520 120.271 5.249 1
1 1193 . 18 1 1 A 108 108 ASP H H 108 8.147 9.174 -1.027 1
1 1194 . 18 1 1 A 108 108 ASP HA H 108 4.511 4.650 -0.139 1
1 1197 . 18 1 1 A 108 108 ASP CA C 108 54.342 54.537 -0.195 1
1 1198 . 18 1 1 A 108 108 ASP CB C 108 41.240 40.308 0.932 1
1 1199 . 18 1 1 A 108 108 ASP N N 108 119.219 118.644 0.575 1
1 1200 . 18 1 1 A 109 109 GLY H H 109 8.313 8.370 -0.057 1
1 1201 . 18 1 1 A 109 109 GLY HA2 H 109 3.946 4.262 -0.316 1
1 1202 . 18 1 1 A 109 109 GLY HA3 H 109 3.848 4.266 -0.418 1
1 1203 . 18 1 1 A 109 109 GLY CA C 109 45.692 46.338 -0.646 1
1 1204 . 18 1 1 A 109 109 GLY N N 109 109.478 109.487 -0.009 1
1 1205 . 18 1 1 A 110 110 SER H H 110 8.175 8.356 -0.181 1
1 1206 . 18 1 1 A 110 110 SER HA H 110 4.286 4.415 -0.129 1
1 1209 . 18 1 1 A 110 110 SER CA C 110 59.296 59.932 -0.636 1
1 1210 . 18 1 1 A 110 110 SER CB C 110 63.825 64.425 -0.600 1
1 1211 . 18 1 1 A 110 110 SER N N 110 115.660 118.892 -3.232 1
1 1212 . 18 1 1 A 111 111 HIS HA H 111 4.527 4.686 -0.159 1
1 1215 . 18 1 1 A 111 111 HIS CA C 111 56.109 57.383 -1.274 1
1 1216 . 18 1 1 A 111 111 HIS CB C 111 30.580 29.334 1.246 1
1 1217 . 18 1 1 A 112 112 HIS HA H 112 4.535 5.278 -0.743 1
1 1220 . 18 1 1 A 112 112 HIS CA C 112 57.411 53.965 3.446 1
1 1221 . 18 1 1 A 112 112 HIS CB C 112 30.756 32.862 -2.106 1
1 2 . 19 1 1 A 2 2 VAL H H 2 8.613 7.348 1.265 1
1 3 . 19 1 1 A 2 2 VAL HA H 2 4.487 4.746 -0.259 1
1 11 . 19 1 1 A 2 2 VAL CA C 2 61.103 60.395 0.708 1
1 12 . 19 1 1 A 2 2 VAL CB C 2 35.731 35.631 0.100 1
1 15 . 19 1 1 A 2 2 VAL N N 2 117.956 117.807 0.149 1
1 16 . 19 1 1 A 3 3 ILE H H 3 8.439 8.924 -0.485 1
1 17 . 19 1 1 A 3 3 ILE HA H 3 4.498 4.830 -0.332 1
1 27 . 19 1 1 A 3 3 ILE CA C 3 60.172 59.540 0.632 1
1 28 . 19 1 1 A 3 3 ILE CB C 3 38.528 39.498 -0.970 1
1 32 . 19 1 1 A 3 3 ILE N N 3 125.643 126.678 -1.035 1
1 33 . 19 1 1 A 4 4 ILE H H 4 8.543 8.347 0.196 1
1 34 . 19 1 1 A 4 4 ILE HA H 4 4.005 4.333 -0.328 1
1 44 . 19 1 1 A 4 4 ILE CA C 4 61.550 61.408 0.142 1
1 45 . 19 1 1 A 4 4 ILE CB C 4 38.038 36.929 1.109 1
1 49 . 19 1 1 A 4 4 ILE N N 4 127.460 128.545 -1.085 1
1 50 . 19 1 1 A 5 5 LYS H H 5 8.292 8.633 -0.341 1
1 51 . 19 1 1 A 5 5 LYS HA H 5 5.173 4.655 0.518 1
1 60 . 19 1 1 A 5 5 LYS CA C 5 53.276 53.237 0.039 1
1 61 . 19 1 1 A 5 5 LYS CB C 5 33.713 33.273 0.440 1
1 65 . 19 1 1 A 5 5 LYS N N 5 126.677 128.317 -1.640 1
1 66 . 19 1 1 A 6 6 PRO HA H 6 4.383 4.351 0.032 1
1 73 . 19 1 1 A 6 6 PRO CA C 6 62.444 63.992 -1.548 1
1 74 . 19 1 1 A 6 6 PRO CB C 6 32.018 32.042 -0.024 1
1 77 . 19 1 1 A 7 7 GLN H H 7 9.359 8.420 0.939 1
1 78 . 19 1 1 A 7 7 GLN HA H 7 4.406 4.270 0.136 1
1 85 . 19 1 1 A 7 7 GLN CA C 7 56.357 57.263 -0.906 1
1 86 . 19 1 1 A 7 7 GLN CB C 7 28.784 26.969 1.815 1
1 88 . 19 1 1 A 7 7 GLN N N 7 119.975 120.281 -0.306 1
1 90 . 19 1 1 A 8 8 VAL H H 8 7.032 7.467 -0.435 1
1 91 . 19 1 1 A 8 8 VAL HA H 8 4.486 4.917 -0.431 1
1 99 . 19 1 1 A 8 8 VAL CA C 8 58.874 58.742 0.132 1
1 100 . 19 1 1 A 8 8 VAL CB C 8 35.169 35.859 -0.690 1
1 103 . 19 1 1 A 8 8 VAL N N 8 111.122 115.381 -4.259 1
1 104 . 19 1 1 A 9 9 SER H H 9 8.210 8.611 -0.401 1
1 105 . 19 1 1 A 9 9 SER HA H 9 4.957 4.934 0.023 1
1 108 . 19 1 1 A 9 9 SER CA C 9 56.585 57.956 -1.371 1
1 109 . 19 1 1 A 9 9 SER CB C 9 64.442 64.442 0.000 1
1 110 . 19 1 1 A 9 9 SER N N 9 115.043 118.751 -3.708 1
1 111 . 19 1 1 A 10 10 GLY H H 10 8.003 7.722 0.281 1
1 112 . 19 1 1 A 10 10 GLY HA2 H 10 4.412 4.017 0.395 1
1 113 . 19 1 1 A 10 10 GLY HA3 H 10 3.645 4.145 -0.500 1
1 114 . 19 1 1 A 10 10 GLY CA C 10 45.292 45.857 -0.565 1
1 115 . 19 1 1 A 10 10 GLY N N 10 108.708 110.700 -1.992 1
1 116 . 19 1 1 A 11 11 VAL H H 11 8.006 7.871 0.135 1
1 117 . 19 1 1 A 11 11 VAL HA H 11 4.743 4.617 0.126 1
1 125 . 19 1 1 A 11 11 VAL CA C 11 60.539 60.678 -0.139 1
1 126 . 19 1 1 A 11 11 VAL CB C 11 34.951 35.356 -0.405 1
1 129 . 19 1 1 A 11 11 VAL N N 11 118.308 120.127 -1.819 1
1 130 . 19 1 1 A 12 12 ILE H H 12 8.459 8.552 -0.093 1
1 131 . 19 1 1 A 12 12 ILE HA H 12 4.050 4.069 -0.019 1
1 141 . 19 1 1 A 12 12 ILE CA C 12 60.287 62.596 -2.309 1
1 142 . 19 1 1 A 12 12 ILE CB C 12 35.650 38.052 -2.402 1
1 146 . 19 1 1 A 12 12 ILE N N 12 125.265 126.799 -1.534 1
1 147 . 19 1 1 A 13 13 VAL H H 13 8.908 9.611 -0.703 1
1 148 . 19 1 1 A 13 13 VAL HA H 13 4.500 4.157 0.343 1
1 156 . 19 1 1 A 13 13 VAL CA C 13 62.126 63.428 -1.302 1
1 157 . 19 1 1 A 13 13 VAL CB C 13 33.291 33.209 0.082 1
1 160 . 19 1 1 A 13 13 VAL N N 13 124.479 126.466 -1.987 1
1 161 . 19 1 1 A 14 14 ASN H H 14 7.653 7.264 0.389 1
1 162 . 19 1 1 A 14 14 ASN HA H 14 4.819 5.134 -0.315 1
1 167 . 19 1 1 A 14 14 ASN CA C 14 52.806 52.437 0.369 1
1 168 . 19 1 1 A 14 14 ASN CB C 14 41.978 42.034 -0.056 1
1 169 . 19 1 1 A 14 14 ASN N N 14 114.961 114.491 0.470 1
1 171 . 19 1 1 A 15 15 LYS H H 15 8.404 8.716 -0.312 1
1 172 . 19 1 1 A 15 15 LYS HA H 15 4.641 4.904 -0.263 1
1 179 . 19 1 1 A 15 15 LYS CA C 15 55.935 54.665 1.270 1
1 180 . 19 1 1 A 15 15 LYS CB C 15 35.274 35.112 0.162 1
1 183 . 19 1 1 A 15 15 LYS N N 15 123.768 119.326 4.442 1
1 184 . 19 1 1 A 16 16 LEU H H 16 8.020 8.745 -0.725 1
1 185 . 19 1 1 A 16 16 LEU HA H 16 4.611 4.478 0.133 1
1 195 . 19 1 1 A 16 16 LEU CA C 16 55.124 53.809 1.315 1
1 196 . 19 1 1 A 16 16 LEU CB C 16 41.308 41.218 0.090 1
1 200 . 19 1 1 A 16 16 LEU N N 16 126.162 126.231 -0.069 1
1 201 . 19 1 1 A 17 17 PHE H H 17 6.573 7.595 -1.022 1
1 202 . 19 1 1 A 17 17 PHE HA H 17 4.862 5.172 -0.310 1
1 207 . 19 1 1 A 17 17 PHE CA C 17 55.528 55.302 0.226 1
1 208 . 19 1 1 A 17 17 PHE CB C 17 41.093 42.098 -1.005 1
1 209 . 19 1 1 A 17 17 PHE N N 17 113.628 115.602 -1.974 1
1 210 . 19 1 1 A 18 18 LYS H H 18 8.655 8.398 0.257 1
1 211 . 19 1 1 A 18 18 LYS HA H 18 4.333 4.375 -0.042 1
1 220 . 19 1 1 A 18 18 LYS CA C 18 54.277 53.909 0.368 1
1 221 . 19 1 1 A 18 18 LYS CB C 18 35.134 36.208 -1.074 1
1 225 . 19 1 1 A 18 18 LYS N N 18 120.572 118.248 2.324 1
1 226 . 19 1 1 A 19 19 ALA H H 19 8.407 8.202 0.205 1
1 227 . 19 1 1 A 19 19 ALA HA H 19 3.962 4.754 -0.792 1
1 231 . 19 1 1 A 19 19 ALA CA C 19 53.980 52.424 1.556 1
1 232 . 19 1 1 A 19 19 ALA CB C 19 18.497 19.319 -0.822 1
1 233 . 19 1 1 A 19 19 ALA N N 19 123.842 124.422 -0.580 1
1 234 . 19 1 1 A 20 20 GLY H H 20 8.814 8.611 0.203 1
1 235 . 19 1 1 A 20 20 GLY HA2 H 20 4.313 3.911 0.402 1
1 236 . 19 1 1 A 20 20 GLY HA3 H 20 3.532 3.932 -0.400 1
1 237 . 19 1 1 A 20 20 GLY CA C 20 45.045 45.595 -0.550 1
1 238 . 19 1 1 A 20 20 GLY N N 20 112.434 111.766 0.668 1
1 239 . 19 1 1 A 21 21 ASP H H 21 7.933 8.018 -0.085 1
1 240 . 19 1 1 A 21 21 ASP HA H 21 4.499 4.981 -0.482 1
1 243 . 19 1 1 A 21 21 ASP CA C 21 55.383 53.440 1.943 1
1 244 . 19 1 1 A 21 21 ASP CB C 21 41.067 42.743 -1.676 1
1 245 . 19 1 1 A 21 21 ASP N N 21 121.505 120.402 1.103 1
1 246 . 19 1 1 A 22 22 LYS H H 22 8.311 8.494 -0.183 1
1 247 . 19 1 1 A 22 22 LYS HA H 22 4.871 4.696 0.175 1
1 256 . 19 1 1 A 22 22 LYS CA C 22 55.659 55.826 -0.167 1
1 257 . 19 1 1 A 22 22 LYS CB C 22 31.820 33.731 -1.911 1
1 261 . 19 1 1 A 22 22 LYS N N 22 120.225 119.793 0.432 1
1 262 . 19 1 1 A 23 23 VAL H H 23 8.935 8.614 0.321 1
1 263 . 19 1 1 A 23 23 VAL HA H 23 4.841 4.842 -0.001 1
1 271 . 19 1 1 A 23 23 VAL CA C 23 58.502 60.720 -2.218 1
1 272 . 19 1 1 A 23 23 VAL CB C 23 34.507 35.109 -0.602 1
1 275 . 19 1 1 A 23 23 VAL N N 23 117.700 122.578 -4.878 1
1 276 . 19 1 1 A 24 24 LYS H H 24 7.960 8.869 -0.909 1
1 277 . 19 1 1 A 24 24 LYS HA H 24 4.838 4.607 0.231 1
1 286 . 19 1 1 A 24 24 LYS CA C 24 53.195 54.542 -1.347 1
1 287 . 19 1 1 A 24 24 LYS CB C 24 35.213 34.852 0.361 1
1 291 . 19 1 1 A 24 24 LYS N N 24 121.958 125.099 -3.141 1
1 292 . 19 1 1 A 25 25 LYS H H 25 8.915 8.461 0.454 1
1 293 . 19 1 1 A 25 25 LYS HA H 25 3.156 4.549 -1.393 1
1 300 . 19 1 1 A 25 25 LYS CA C 25 58.648 55.988 2.660 1
1 301 . 19 1 1 A 25 25 LYS CB C 25 32.648 31.165 1.483 1
1 304 . 19 1 1 A 25 25 LYS N N 25 121.653 120.538 1.115 1
1 305 . 19 1 1 A 26 26 GLY H H 26 8.900 8.258 0.642 1
1 306 . 19 1 1 A 26 26 GLY HA2 H 26 4.283 3.927 0.356 1
1 307 . 19 1 1 A 26 26 GLY HA3 H 26 3.471 3.933 -0.462 1
1 308 . 19 1 1 A 26 26 GLY CA C 26 45.263 45.399 -0.136 1
1 309 . 19 1 1 A 26 26 GLY N N 26 115.268 113.449 1.819 1
1 310 . 19 1 1 A 27 27 GLN H H 27 8.433 8.020 0.413 1
1 311 . 19 1 1 A 27 27 GLN HA H 27 4.141 4.383 -0.242 1
1 318 . 19 1 1 A 27 27 GLN CA C 27 56.324 55.382 0.942 1
1 319 . 19 1 1 A 27 27 GLN CB C 27 30.520 29.823 0.697 1
1 321 . 19 1 1 A 27 27 GLN N N 27 123.155 121.541 1.614 1
1 323 . 19 1 1 A 28 28 THR H H 28 9.110 8.925 0.185 1
1 324 . 19 1 1 A 28 28 THR HA H 28 3.893 4.203 -0.310 1
1 329 . 19 1 1 A 28 28 THR CA C 28 65.828 64.294 1.534 1
1 330 . 19 1 1 A 28 28 THR CB C 28 68.581 69.115 -0.534 1
1 332 . 19 1 1 A 28 28 THR N N 28 124.748 121.180 3.568 1
1 333 . 19 1 1 A 29 29 LEU H H 29 9.509 9.172 0.337 1
1 334 . 19 1 1 A 29 29 LEU HA H 29 4.383 4.659 -0.276 1
1 344 . 19 1 1 A 29 29 LEU CA C 29 55.795 55.467 0.328 1
1 345 . 19 1 1 A 29 29 LEU CB C 29 44.572 44.139 0.433 1
1 349 . 19 1 1 A 29 29 LEU N N 29 125.873 126.762 -0.889 1
1 350 . 19 1 1 A 30 30 PHE H H 30 7.579 7.805 -0.226 1
1 351 . 19 1 1 A 30 30 PHE HA H 30 5.367 5.128 0.239 1
1 359 . 19 1 1 A 30 30 PHE CA C 30 55.486 56.083 -0.597 1
1 360 . 19 1 1 A 30 30 PHE CB C 30 44.887 43.835 1.052 1
1 361 . 19 1 1 A 30 30 PHE N N 30 111.134 115.618 -4.484 1
1 362 . 19 1 1 A 31 31 ILE H H 31 7.858 8.633 -0.775 1
1 363 . 19 1 1 A 31 31 ILE HA H 31 4.817 4.883 -0.066 1
1 373 . 19 1 1 A 31 31 ILE CA C 31 60.063 60.520 -0.457 1
1 374 . 19 1 1 A 31 31 ILE CB C 31 39.395 41.788 -2.393 1
1 378 . 19 1 1 A 31 31 ILE N N 31 119.416 119.965 -0.549 1
1 379 . 19 1 1 A 32 32 ILE H H 32 9.107 8.665 0.442 1
1 380 . 19 1 1 A 32 32 ILE HA H 32 4.842 4.845 -0.003 1
1 390 . 19 1 1 A 32 32 ILE CA C 32 59.002 59.861 -0.859 1
1 391 . 19 1 1 A 32 32 ILE CB C 32 42.048 42.608 -0.560 1
1 395 . 19 1 1 A 32 32 ILE N N 32 127.892 126.688 1.204 1
1 396 . 19 1 1 A 33 33 GLU H H 33 9.095 8.359 0.736 1
1 397 . 19 1 1 A 33 33 GLU HA H 33 4.642 5.312 -0.670 1
1 402 . 19 1 1 A 33 33 GLU CA C 33 54.985 54.822 0.163 1
1 403 . 19 1 1 A 33 33 GLU CB C 33 31.672 32.762 -1.090 1
1 405 . 19 1 1 A 33 33 GLU N N 33 128.157 122.909 5.248 1
1 406 . 19 1 1 A 34 34 GLN H H 34 8.725 8.903 -0.178 1
1 407 . 19 1 1 A 34 34 GLN HA H 34 4.354 4.868 -0.514 1
1 414 . 19 1 1 A 34 34 GLN CA C 34 56.807 54.768 2.039 1
1 415 . 19 1 1 A 34 34 GLN CB C 34 30.119 31.077 -0.958 1
1 417 . 19 1 1 A 34 34 GLN N N 34 128.123 119.231 8.892 1
1 419 . 19 1 1 A 35 35 ASP H H 35 8.524 8.595 -0.071 1
1 420 . 19 1 1 A 35 35 ASP HA H 35 4.609 4.871 -0.262 1
1 423 . 19 1 1 A 35 35 ASP CA C 35 54.226 54.298 -0.072 1
1 424 . 19 1 1 A 35 35 ASP CB C 35 41.429 41.603 -0.174 1
1 425 . 19 1 1 A 35 35 ASP N N 35 122.485 116.642 5.843 1
1 426 . 19 1 1 A 36 36 GLN H H 36 8.576 7.557 1.019 1
1 427 . 19 1 1 A 36 36 GLN HA H 36 4.041 4.636 -0.595 1
1 434 . 19 1 1 A 36 36 GLN CA C 36 56.662 54.782 1.880 1
1 435 . 19 1 1 A 36 36 GLN CB C 36 29.166 29.866 -0.700 1
1 437 . 19 1 1 A 36 36 GLN N N 36 123.321 119.682 3.639 1
1 439 . 19 1 1 A 37 37 ALA H H 37 8.322 8.648 -0.326 1
1 440 . 19 1 1 A 37 37 ALA HA H 37 4.232 4.532 -0.300 1
1 444 . 19 1 1 A 37 37 ALA CA C 37 53.231 53.728 -0.497 1
1 445 . 19 1 1 A 37 37 ALA CB C 37 19.020 20.934 -1.914 1
1 446 . 19 1 1 A 37 37 ALA N N 37 123.086 128.973 -5.887 1
1 447 . 19 1 1 A 38 38 SER H H 38 7.919 7.741 0.178 1
1 448 . 19 1 1 A 38 38 SER HA H 38 4.283 4.624 -0.341 1
1 451 . 19 1 1 A 38 38 SER CA C 38 58.884 57.351 1.533 1
1 452 . 19 1 1 A 38 38 SER CB C 38 63.835 65.882 -2.047 1
1 453 . 19 1 1 A 38 38 SER N N 38 113.578 110.853 2.725 1
1 454 . 19 1 1 A 39 39 LYS H H 39 8.153 8.800 -0.647 1
1 455 . 19 1 1 A 39 39 LYS HA H 39 4.140 4.130 0.010 1
1 463 . 19 1 1 A 39 39 LYS CA C 39 57.127 59.075 -1.948 1
1 464 . 19 1 1 A 39 39 LYS CB C 39 32.812 32.178 0.634 1
1 468 . 19 1 1 A 39 39 LYS N N 39 122.651 127.311 -4.660 1
1 469 . 19 1 1 A 40 40 ASP H H 40 8.100 7.626 0.474 1
1 470 . 19 1 1 A 40 40 ASP HA H 40 4.532 4.825 -0.293 1
1 473 . 19 1 1 A 40 40 ASP CA C 40 54.376 54.358 0.018 1
1 474 . 19 1 1 A 40 40 ASP CB C 40 41.245 41.528 -0.283 1
1 475 . 19 1 1 A 40 40 ASP N N 40 119.441 116.799 2.642 1
1 476 . 19 1 1 A 41 41 PHE H H 41 7.924 7.973 -0.049 1
1 477 . 19 1 1 A 41 41 PHE HA H 41 4.384 4.645 -0.261 1
1 484 . 19 1 1 A 41 41 PHE CA C 41 58.704 57.198 1.506 1
1 485 . 19 1 1 A 41 41 PHE CB C 41 39.397 41.621 -2.224 1
1 486 . 19 1 1 A 41 41 PHE N N 41 121.124 119.434 1.690 1
1 487 . 19 1 1 A 42 42 ASN H H 42 8.311 8.191 0.120 1
1 488 . 19 1 1 A 42 42 ASN HA H 42 4.523 4.436 0.087 1
1 492 . 19 1 1 A 42 42 ASN CA C 42 53.133 53.660 -0.527 1
1 493 . 19 1 1 A 42 42 ASN CB C 42 38.801 36.075 2.726 1
1 494 . 19 1 1 A 42 42 ASN N N 42 120.181 120.419 -0.238 1
1 496 . 19 1 1 A 43 43 ARG H H 43 8.133 8.693 -0.560 1
1 497 . 19 1 1 A 43 43 ARG HA H 43 4.115 4.337 -0.222 1
1 504 . 19 1 1 A 43 43 ARG CA C 43 57.051 55.635 1.416 1
1 505 . 19 1 1 A 43 43 ARG CB C 43 30.514 30.237 0.277 1
1 508 . 19 1 1 A 43 43 ARG N N 43 121.727 124.248 -2.521 1
1 509 . 19 1 1 A 44 44 SER H H 44 8.174 8.088 0.086 1
1 510 . 19 1 1 A 44 44 SER HA H 44 4.286 4.420 -0.134 1
1 513 . 19 1 1 A 44 44 SER CA C 44 59.344 58.739 0.605 1
1 514 . 19 1 1 A 44 44 SER CB C 44 63.357 60.706 2.651 1
1 515 . 19 1 1 A 44 44 SER N N 44 115.718 113.578 2.140 1
1 516 . 19 1 1 A 45 45 LYS H H 45 7.963 8.588 -0.625 1
1 517 . 19 1 1 A 45 45 LYS HA H 45 4.123 4.332 -0.209 1
1 526 . 19 1 1 A 45 45 LYS CA C 45 56.866 57.839 -0.973 1
1 527 . 19 1 1 A 45 45 LYS CB C 45 32.777 33.222 -0.445 1
1 530 . 19 1 1 A 45 45 LYS N N 45 122.326 122.868 -0.542 1
1 531 . 19 1 1 A 46 46 ALA H H 46 7.965 8.015 -0.050 1
1 532 . 19 1 1 A 46 46 ALA HA H 46 4.165 4.014 0.151 1
1 536 . 19 1 1 A 46 46 ALA CA C 46 52.999 52.930 0.069 1
1 537 . 19 1 1 A 46 46 ALA CB C 46 18.944 17.392 1.552 1
1 538 . 19 1 1 A 46 46 ALA N N 46 123.536 120.445 3.091 1
1 539 . 19 1 1 A 47 47 LEU H H 47 7.898 7.534 0.364 1
1 540 . 19 1 1 A 47 47 LEU HA H 47 4.158 4.881 -0.723 1
1 550 . 19 1 1 A 47 47 LEU CA C 47 55.583 53.299 2.284 1
1 551 . 19 1 1 A 47 47 LEU CB C 47 42.404 46.309 -3.905 1
1 555 . 19 1 1 A 47 47 LEU N N 47 119.914 117.058 2.856 1
1 556 . 19 1 1 A 48 48 PHE H H 48 7.981 8.131 -0.150 1
1 557 . 19 1 1 A 48 48 PHE HA H 48 4.539 4.803 -0.264 1
1 564 . 19 1 1 A 48 48 PHE CA C 48 58.033 57.012 1.021 1
1 565 . 19 1 1 A 48 48 PHE CB C 48 39.470 40.735 -1.265 1
1 566 . 19 1 1 A 48 48 PHE N N 48 119.602 118.309 1.293 1
1 567 . 19 1 1 A 49 49 SER H H 49 8.028 7.163 0.865 1
1 568 . 19 1 1 A 49 49 SER HA H 49 4.332 4.102 0.230 1
1 571 . 19 1 1 A 49 49 SER CA C 49 58.581 60.374 -1.793 1
1 572 . 19 1 1 A 49 49 SER CB C 49 63.866 62.493 1.373 1
1 573 . 19 1 1 A 49 49 SER N N 49 116.270 114.130 2.140 1
1 574 . 19 1 1 A 50 50 GLN H H 50 8.266 8.667 -0.401 1
1 575 . 19 1 1 A 50 50 GLN HA H 50 4.257 4.082 0.175 1
1 582 . 19 1 1 A 50 50 GLN CA C 50 56.435 58.905 -2.470 1
1 583 . 19 1 1 A 50 50 GLN CB C 50 29.204 29.022 0.182 1
1 585 . 19 1 1 A 50 50 GLN N N 50 121.931 123.135 -1.204 1
1 587 . 19 1 1 A 51 51 SER H H 51 8.147 7.775 0.372 1
1 588 . 19 1 1 A 51 51 SER HA H 51 4.338 4.659 -0.321 1
1 591 . 19 1 1 A 51 51 SER CA C 51 58.645 57.814 0.831 1
1 592 . 19 1 1 A 51 51 SER CB C 51 63.784 63.297 0.487 1
1 593 . 19 1 1 A 51 51 SER N N 51 115.676 111.007 4.669 1
1 594 . 19 1 1 A 52 52 ALA H H 52 8.175 8.280 -0.105 1
1 595 . 19 1 1 A 52 52 ALA HA H 52 4.265 4.485 -0.220 1
1 599 . 19 1 1 A 52 52 ALA CA C 52 53.031 53.281 -0.250 1
1 600 . 19 1 1 A 52 52 ALA CB C 52 18.941 20.779 -1.838 1
1 601 . 19 1 1 A 52 52 ALA N N 52 125.360 127.759 -2.399 1
1 602 . 19 1 1 A 53 53 ILE H H 53 7.870 7.729 0.141 1
1 603 . 19 1 1 A 53 53 ILE HA H 53 4.099 4.539 -0.440 1
1 613 . 19 1 1 A 53 53 ILE CA C 53 61.558 60.753 0.805 1
1 614 . 19 1 1 A 53 53 ILE CB C 53 38.851 40.492 -1.641 1
1 618 . 19 1 1 A 53 53 ILE N N 53 118.231 117.634 0.597 1
1 619 . 19 1 1 A 54 54 SER H H 54 8.159 9.249 -1.090 1
1 620 . 19 1 1 A 54 54 SER HA H 54 4.384 4.444 -0.060 1
1 623 . 19 1 1 A 54 54 SER CA C 54 58.551 58.279 0.272 1
1 624 . 19 1 1 A 54 54 SER CB C 54 63.964 61.095 2.869 1
1 625 . 19 1 1 A 54 54 SER N N 54 118.588 124.957 -6.369 1
1 626 . 19 1 1 A 55 55 GLN H H 55 8.301 8.282 0.019 1
1 627 . 19 1 1 A 55 55 GLN HA H 55 4.214 3.531 0.683 1
1 634 . 19 1 1 A 55 55 GLN CA C 55 56.547 58.387 -1.840 1
1 635 . 19 1 1 A 55 55 GLN CB C 55 29.292 28.033 1.259 1
1 637 . 19 1 1 A 55 55 GLN N N 55 122.173 124.767 -2.594 1
1 639 . 19 1 1 A 56 56 LYS H H 56 8.163 8.588 -0.425 1
1 640 . 19 1 1 A 56 56 LYS HA H 56 4.177 4.142 0.035 1
1 647 . 19 1 1 A 56 56 LYS CA C 56 56.978 59.231 -2.253 1
1 648 . 19 1 1 A 56 56 LYS CB C 56 32.855 31.927 0.928 1
1 651 . 19 1 1 A 56 56 LYS N N 56 121.126 118.347 2.779 1
1 652 . 19 1 1 A 57 57 GLU H H 57 8.211 8.093 0.118 1
1 653 . 19 1 1 A 57 57 GLU HA H 57 4.151 4.651 -0.500 1
1 658 . 19 1 1 A 57 57 GLU CA C 57 57.058 55.879 1.179 1
1 659 . 19 1 1 A 57 57 GLU CB C 57 30.211 31.174 -0.963 1
1 661 . 19 1 1 A 57 57 GLU N N 57 120.615 118.165 2.450 1
1 662 . 19 1 1 A 58 58 TYR H H 58 8.070 7.727 0.343 1
1 663 . 19 1 1 A 58 58 TYR HA H 58 4.375 4.428 -0.053 1
1 670 . 19 1 1 A 58 58 TYR CA C 58 58.570 57.784 0.786 1
1 671 . 19 1 1 A 58 58 TYR CB C 58 38.962 39.413 -0.451 1
1 672 . 19 1 1 A 58 58 TYR N N 58 120.822 119.187 1.635 1
1 673 . 19 1 1 A 59 59 ASP H H 59 8.146 8.551 -0.405 1
1 674 . 19 1 1 A 59 59 ASP HA H 59 4.492 4.677 -0.185 1
1 677 . 19 1 1 A 59 59 ASP CA C 59 54.396 53.822 0.574 1
1 678 . 19 1 1 A 59 59 ASP CB C 59 41.086 41.830 -0.744 1
1 679 . 19 1 1 A 59 59 ASP N N 59 122.551 122.137 0.414 1
1 680 . 19 1 1 A 60 60 SER H H 60 8.253 8.911 -0.658 1
1 681 . 19 1 1 A 60 60 SER HA H 60 4.260 4.092 0.168 1
1 684 . 19 1 1 A 60 60 SER CA C 60 59.533 60.893 -1.360 1
1 685 . 19 1 1 A 60 60 SER CB C 60 63.422 63.244 0.178 1
1 686 . 19 1 1 A 60 60 SER N N 60 117.657 117.739 -0.082 1
1 687 . 19 1 1 A 61 61 SER H H 61 8.344 8.111 0.233 1
1 688 . 19 1 1 A 61 61 SER HA H 61 4.307 4.271 0.036 1
1 691 . 19 1 1 A 61 61 SER CA C 61 59.755 62.025 -2.270 1
1 692 . 19 1 1 A 61 61 SER CB C 61 63.582 62.398 1.184 1
1 693 . 19 1 1 A 61 61 SER N N 61 118.129 115.899 2.230 1
1 694 . 19 1 1 A 62 62 LEU H H 62 7.759 7.755 0.004 1
1 695 . 19 1 1 A 62 62 LEU HA H 62 4.234 4.431 -0.197 1
1 705 . 19 1 1 A 62 62 LEU CA C 62 55.464 56.132 -0.668 1
1 706 . 19 1 1 A 62 62 LEU CB C 62 42.238 42.156 0.082 1
1 710 . 19 1 1 A 62 62 LEU N N 62 122.627 116.945 5.682 1
1 711 . 19 1 1 A 63 63 ALA H H 63 7.919 7.462 0.457 1
1 712 . 19 1 1 A 63 63 ALA HA H 63 4.276 4.433 -0.157 1
1 716 . 19 1 1 A 63 63 ALA CA C 63 52.922 52.290 0.632 1
1 717 . 19 1 1 A 63 63 ALA CB C 63 19.221 19.778 -0.557 1
1 718 . 19 1 1 A 63 63 ALA N N 63 123.444 123.884 -0.440 1
1 719 . 19 1 1 A 64 64 THR H H 64 7.890 8.806 -0.916 1
1 720 . 19 1 1 A 64 64 THR HA H 64 4.217 4.858 -0.641 1
1 725 . 19 1 1 A 64 64 THR CA C 64 61.787 61.729 0.058 1
1 726 . 19 1 1 A 64 64 THR CB C 64 69.719 69.254 0.465 1
1 728 . 19 1 1 A 64 64 THR N N 64 112.279 118.909 -6.630 1
1 729 . 19 1 1 A 65 65 LEU H H 65 8.009 8.721 -0.712 1
1 730 . 19 1 1 A 65 65 LEU HA H 65 4.295 4.815 -0.520 1
1 740 . 19 1 1 A 65 65 LEU CA C 65 55.345 54.180 1.165 1
1 741 . 19 1 1 A 65 65 LEU CB C 65 42.412 44.886 -2.474 1
1 745 . 19 1 1 A 65 65 LEU N N 65 123.586 127.181 -3.595 1
1 746 . 19 1 1 A 66 66 ASP H H 66 8.288 8.954 -0.666 1
1 747 . 19 1 1 A 66 66 ASP HA H 66 4.564 4.573 -0.009 1
1 750 . 19 1 1 A 66 66 ASP CA C 66 54.676 55.185 -0.509 1
1 751 . 19 1 1 A 66 66 ASP CB C 66 41.376 41.351 0.025 1
1 752 . 19 1 1 A 66 66 ASP N N 66 120.344 125.074 -4.730 1
1 753 . 19 1 1 A 67 67 HIS H H 67 8.058 8.878 -0.820 1
1 754 . 19 1 1 A 67 67 HIS HA H 67 5.247 5.254 -0.007 1
1 758 . 19 1 1 A 67 67 HIS CA C 67 55.260 54.388 0.872 1
1 759 . 19 1 1 A 67 67 HIS CB C 67 31.974 34.197 -2.223 1
1 760 . 19 1 1 A 67 67 HIS N N 67 119.406 119.691 -0.285 1
1 761 . 19 1 1 A 68 68 THR H H 68 8.919 9.132 -0.213 1
1 762 . 19 1 1 A 68 68 THR HA H 68 4.484 4.932 -0.448 1
1 767 . 19 1 1 A 68 68 THR CA C 68 62.542 61.589 0.953 1
1 768 . 19 1 1 A 68 68 THR CB C 68 71.067 71.386 -0.319 1
1 770 . 19 1 1 A 68 68 THR N N 68 117.233 115.414 1.819 1
1 771 . 19 1 1 A 69 69 GLU H H 69 8.649 8.870 -0.221 1
1 772 . 19 1 1 A 69 69 GLU HA H 69 4.703 4.548 0.155 1
1 777 . 19 1 1 A 69 69 GLU CA C 69 55.886 56.875 -0.989 1
1 778 . 19 1 1 A 69 69 GLU CB C 69 31.746 30.212 1.534 1
1 780 . 19 1 1 A 69 69 GLU N N 69 124.187 127.088 -2.901 1
1 781 . 19 1 1 A 70 70 ILE H H 70 8.601 8.984 -0.383 1
1 782 . 19 1 1 A 70 70 ILE HA H 70 4.405 4.445 -0.040 1
1 792 . 19 1 1 A 70 70 ILE CA C 70 59.234 61.264 -2.030 1
1 793 . 19 1 1 A 70 70 ILE CB C 70 37.318 36.837 0.481 1
1 797 . 19 1 1 A 70 70 ILE N N 70 123.482 127.181 -3.699 1
1 798 . 19 1 1 A 71 71 LYS H H 71 8.926 8.676 0.250 1
1 799 . 19 1 1 A 71 71 LYS HA H 71 5.078 4.906 0.172 1
1 806 . 19 1 1 A 71 71 LYS CA C 71 54.584 54.642 -0.058 1
1 807 . 19 1 1 A 71 71 LYS CB C 71 36.281 33.636 2.645 1
1 810 . 19 1 1 A 71 71 LYS N N 71 128.267 127.318 0.949 1
1 811 . 19 1 1 A 72 72 ALA H H 72 8.633 8.385 0.248 1
1 812 . 19 1 1 A 72 72 ALA HA H 72 4.067 4.739 -0.672 1
1 816 . 19 1 1 A 72 72 ALA CA C 72 49.967 50.262 -0.295 1
1 817 . 19 1 1 A 72 72 ALA CB C 72 17.255 19.045 -1.790 1
1 818 . 19 1 1 A 72 72 ALA N N 72 123.088 123.419 -0.331 1
1 819 . 19 1 1 A 73 73 PRO HA H 73 4.333 4.472 -0.139 1
1 826 . 19 1 1 A 73 73 PRO CA C 73 63.716 64.395 -0.679 1
1 827 . 19 1 1 A 73 73 PRO CB C 73 31.915 32.189 -0.274 1
1 830 . 19 1 1 A 74 74 PHE H H 74 6.768 7.587 -0.819 1
1 831 . 19 1 1 A 74 74 PHE HA H 74 4.421 4.736 -0.315 1
1 838 . 19 1 1 A 74 74 PHE CA C 74 54.396 56.463 -2.067 1
1 839 . 19 1 1 A 74 74 PHE CB C 74 40.697 40.060 0.637 1
1 840 . 19 1 1 A 74 74 PHE N N 74 112.022 112.542 -0.520 1
1 841 . 19 1 1 A 75 75 ASP H H 75 8.583 8.431 0.152 1
1 842 . 19 1 1 A 75 75 ASP HA H 75 4.922 4.736 0.186 1
1 845 . 19 1 1 A 75 75 ASP CA C 75 53.873 54.401 -0.528 1
1 846 . 19 1 1 A 75 75 ASP CB C 75 40.839 40.842 -0.003 1
1 847 . 19 1 1 A 75 75 ASP N N 75 118.252 119.982 -1.730 1
1 848 . 19 1 1 A 76 76 GLY H H 76 8.348 7.831 0.517 1
1 849 . 19 1 1 A 76 76 GLY HA2 H 76 4.236 3.812 0.424 1
1 850 . 19 1 1 A 76 76 GLY HA3 H 76 4.075 4.004 0.071 1
1 851 . 19 1 1 A 76 76 GLY CA C 76 46.639 45.886 0.753 1
1 852 . 19 1 1 A 76 76 GLY N N 76 108.729 107.977 0.752 1
1 853 . 19 1 1 A 77 77 THR H H 77 8.623 8.245 0.378 1
1 854 . 19 1 1 A 77 77 THR HA H 77 4.975 4.863 0.112 1
1 859 . 19 1 1 A 77 77 THR CA C 77 61.752 60.803 0.949 1
1 860 . 19 1 1 A 77 77 THR CB C 77 70.121 70.421 -0.300 1
1 862 . 19 1 1 A 77 77 THR N N 77 116.400 114.780 1.620 1
1 863 . 19 1 1 A 78 78 ILE H H 78 8.824 8.655 0.169 1
1 864 . 19 1 1 A 78 78 ILE HA H 78 4.673 4.816 -0.143 1
1 874 . 19 1 1 A 78 78 ILE CA C 78 60.164 60.504 -0.340 1
1 875 . 19 1 1 A 78 78 ILE CB C 78 42.973 40.327 2.646 1
1 879 . 19 1 1 A 78 78 ILE N N 78 129.310 129.780 -0.470 1
1 880 . 19 1 1 A 79 79 GLY H H 79 8.060 8.367 -0.307 1
1 881 . 19 1 1 A 79 79 GLY HA2 H 79 4.404 4.151 0.253 1
1 882 . 19 1 1 A 79 79 GLY HA3 H 79 3.775 4.154 -0.379 1
1 883 . 19 1 1 A 79 79 GLY CA C 79 44.149 44.633 -0.484 1
1 884 . 19 1 1 A 79 79 GLY N N 79 114.539 115.741 -1.202 1
1 885 . 19 1 1 A 80 80 ASP H H 80 7.804 8.426 -0.622 1
1 886 . 19 1 1 A 80 80 ASP HA H 80 4.703 5.349 -0.646 1
1 889 . 19 1 1 A 80 80 ASP CA C 80 53.703 53.027 0.676 1
1 890 . 19 1 1 A 80 80 ASP CB C 80 41.918 42.814 -0.896 1
1 891 . 19 1 1 A 80 80 ASP N N 80 113.688 121.754 -8.066 1
1 892 . 19 1 1 A 81 81 ALA H H 81 8.566 8.937 -0.371 1
1 893 . 19 1 1 A 81 81 ALA HA H 81 4.571 4.450 0.121 1
1 897 . 19 1 1 A 81 81 ALA CA C 81 53.312 53.188 0.124 1
1 898 . 19 1 1 A 81 81 ALA CB C 81 20.381 19.619 0.762 1
1 899 . 19 1 1 A 81 81 ALA N N 81 124.136 128.507 -4.371 1
1 900 . 19 1 1 A 82 82 LEU H H 82 8.747 8.447 0.300 1
1 901 . 19 1 1 A 82 82 LEU HA H 82 4.345 4.392 -0.047 1
1 910 . 19 1 1 A 82 82 LEU CA C 82 55.210 55.443 -0.233 1
1 911 . 19 1 1 A 82 82 LEU CB C 82 41.457 42.261 -0.804 1
1 914 . 19 1 1 A 82 82 LEU N N 82 121.773 120.795 0.978 1
1 915 . 19 1 1 A 83 83 VAL H H 83 7.141 7.353 -0.212 1
1 916 . 19 1 1 A 83 83 VAL HA H 83 4.496 4.834 -0.338 1
1 924 . 19 1 1 A 83 83 VAL CA C 83 58.502 59.540 -1.038 1
1 925 . 19 1 1 A 83 83 VAL CB C 83 35.229 35.171 0.058 1
1 928 . 19 1 1 A 83 83 VAL N N 83 108.169 114.572 -6.403 1
1 929 . 19 1 1 A 84 84 ASN H H 84 9.076 8.776 0.300 1
1 930 . 19 1 1 A 84 84 ASN HA H 84 4.887 5.328 -0.441 1
1 935 . 19 1 1 A 84 84 ASN CA C 84 51.248 51.841 -0.593 1
1 936 . 19 1 1 A 84 84 ASN CB C 84 41.989 42.754 -0.765 1
1 937 . 19 1 1 A 84 84 ASN N N 84 119.502 118.385 1.117 1
1 939 . 19 1 1 A 85 85 ILE H H 85 8.404 8.449 -0.045 1
1 940 . 19 1 1 A 85 85 ILE HA H 85 3.393 3.920 -0.527 1
1 950 . 19 1 1 A 85 85 ILE CA C 85 63.873 63.404 0.469 1
1 951 . 19 1 1 A 85 85 ILE CB C 85 37.146 38.343 -1.197 1
1 955 . 19 1 1 A 85 85 ILE N N 85 119.409 121.857 -2.448 1
1 956 . 19 1 1 A 86 86 GLY H H 86 9.239 8.621 0.618 1
1 957 . 19 1 1 A 86 86 GLY HA2 H 86 4.401 3.964 0.437 1
1 958 . 19 1 1 A 86 86 GLY HA3 H 86 3.411 3.970 -0.559 1
1 959 . 19 1 1 A 86 86 GLY CA C 86 44.869 45.366 -0.497 1
1 960 . 19 1 1 A 86 86 GLY N N 86 117.321 115.304 2.017 1
1 961 . 19 1 1 A 87 87 ASP H H 87 7.968 8.086 -0.118 1
1 962 . 19 1 1 A 87 87 ASP HA H 87 4.607 4.817 -0.210 1
1 965 . 19 1 1 A 87 87 ASP CA C 87 54.886 53.950 0.936 1
1 966 . 19 1 1 A 87 87 ASP CB C 87 40.771 40.930 -0.159 1
1 967 . 19 1 1 A 87 87 ASP N N 87 121.490 120.574 0.916 1
1 968 . 19 1 1 A 88 88 TYR H H 88 8.566 9.025 -0.459 1
1 969 . 19 1 1 A 88 88 TYR HA H 88 4.712 4.951 -0.239 1
1 976 . 19 1 1 A 88 88 TYR CA C 88 57.826 58.397 -0.571 1
1 977 . 19 1 1 A 88 88 TYR CB C 88 39.243 38.807 0.436 1
1 978 . 19 1 1 A 88 88 TYR N N 88 122.340 126.922 -4.582 1
1 979 . 19 1 1 A 89 89 VAL H H 89 8.951 8.448 0.503 1
1 980 . 19 1 1 A 89 89 VAL HA H 89 4.578 4.937 -0.359 1
1 988 . 19 1 1 A 89 89 VAL CA C 89 58.339 59.858 -1.519 1
1 989 . 19 1 1 A 89 89 VAL CB C 89 34.321 33.689 0.632 1
1 992 . 19 1 1 A 89 89 VAL N N 89 121.914 123.319 -1.405 1
1 993 . 19 1 1 A 90 90 SER H H 90 8.777 8.666 0.111 1
1 994 . 19 1 1 A 90 90 SER HA H 90 4.750 4.923 -0.173 1
1 997 . 19 1 1 A 90 90 SER CA C 90 56.895 57.293 -0.398 1
1 998 . 19 1 1 A 90 90 SER CB C 90 64.866 64.814 0.052 1
1 999 . 19 1 1 A 90 90 SER N N 90 114.813 118.935 -4.122 1
1 1000 . 19 1 1 A 91 91 ALA H H 91 8.712 8.578 0.134 1
1 1001 . 19 1 1 A 91 91 ALA HA H 91 3.515 3.884 -0.369 1
1 1005 . 19 1 1 A 91 91 ALA CA C 91 53.317 54.051 -0.734 1
1 1006 . 19 1 1 A 91 91 ALA CB C 91 18.678 17.776 0.902 1
1 1007 . 19 1 1 A 91 91 ALA N N 91 129.870 128.217 1.653 1
1 1008 . 19 1 1 A 92 92 SER H H 92 9.170 8.859 0.311 1
1 1009 . 19 1 1 A 92 92 SER HA H 92 3.817 4.231 -0.414 1
1 1012 . 19 1 1 A 92 92 SER CA C 92 60.652 60.837 -0.185 1
1 1013 . 19 1 1 A 92 92 SER CB C 92 62.505 63.163 -0.658 1
1 1014 . 19 1 1 A 92 92 SER N N 92 113.294 113.018 0.276 1
1 1015 . 19 1 1 A 93 93 THR H H 93 7.816 7.448 0.368 1
1 1016 . 19 1 1 A 93 93 THR HA H 93 4.402 4.181 0.221 1
1 1021 . 19 1 1 A 93 93 THR CA C 93 64.378 65.740 -1.362 1
1 1022 . 19 1 1 A 93 93 THR CB C 93 70.948 68.991 1.957 1
1 1024 . 19 1 1 A 93 93 THR N N 93 113.858 115.106 -1.248 1
1 1025 . 19 1 1 A 94 94 THR H H 94 7.702 7.646 0.056 1
1 1026 . 19 1 1 A 94 94 THR HA H 94 3.910 4.420 -0.510 1
1 1031 . 19 1 1 A 94 94 THR CA C 94 65.140 61.355 3.785 1
1 1032 . 19 1 1 A 94 94 THR CB C 94 70.001 67.577 2.424 1
1 1034 . 19 1 1 A 94 94 THR N N 94 119.588 114.534 5.054 1
1 1035 . 19 1 1 A 95 95 GLU H H 95 8.407 8.511 -0.104 1
1 1036 . 19 1 1 A 95 95 GLU HA H 95 3.801 4.351 -0.550 1
1 1041 . 19 1 1 A 95 95 GLU CA C 95 56.613 56.148 0.465 1
1 1042 . 19 1 1 A 95 95 GLU CB C 95 29.600 29.151 0.449 1
1 1044 . 19 1 1 A 95 95 GLU N N 95 124.764 125.541 -0.777 1
1 1045 . 19 1 1 A 96 96 LEU H H 96 8.750 8.640 0.110 1
1 1046 . 19 1 1 A 96 96 LEU HA H 96 4.260 4.224 0.036 1
1 1056 . 19 1 1 A 96 96 LEU CA C 96 56.927 56.758 0.169 1
1 1057 . 19 1 1 A 96 96 LEU CB C 96 43.310 42.128 1.182 1
1 1061 . 19 1 1 A 96 96 LEU N N 96 120.035 121.735 -1.700 1
1 1062 . 19 1 1 A 97 97 VAL H H 97 7.053 7.386 -0.333 1
1 1063 . 19 1 1 A 97 97 VAL HA H 97 4.345 4.654 -0.309 1
1 1071 . 19 1 1 A 97 97 VAL CA C 97 61.291 58.866 2.425 1
1 1072 . 19 1 1 A 97 97 VAL CB C 97 31.577 35.733 -4.156 1
1 1075 . 19 1 1 A 97 97 VAL N N 97 112.365 114.756 -2.391 1
1 1076 . 19 1 1 A 98 98 ARG H H 98 8.980 8.564 0.416 1
1 1077 . 19 1 1 A 98 98 ARG HA H 98 5.267 4.827 0.440 1
1 1084 . 19 1 1 A 98 98 ARG CA C 98 55.195 54.957 0.238 1
1 1085 . 19 1 1 A 98 98 ARG CB C 98 32.818 34.379 -1.561 1
1 1088 . 19 1 1 A 98 98 ARG N N 98 127.477 121.735 5.742 1
1 1089 . 19 1 1 A 99 99 VAL H H 99 8.887 8.776 0.111 1
1 1090 . 19 1 1 A 99 99 VAL HA H 99 4.556 5.629 -1.073 1
1 1095 . 19 1 1 A 99 99 VAL CA C 99 60.968 61.161 -0.193 1
1 1096 . 19 1 1 A 99 99 VAL CB C 99 34.186 34.591 -0.405 1
1 1098 . 19 1 1 A 99 99 VAL N N 99 122.826 124.882 -2.056 1
1 1099 . 19 1 1 A 100 100 THR H H 100 8.833 8.737 0.096 1
1 1100 . 19 1 1 A 100 100 THR HA H 100 4.559 5.281 -0.722 1
1 1105 . 19 1 1 A 100 100 THR CA C 100 61.080 60.950 0.130 1
1 1106 . 19 1 1 A 100 100 THR CB C 100 70.669 71.635 -0.966 1
1 1108 . 19 1 1 A 100 100 THR N N 100 121.816 121.524 0.292 1
1 1109 . 19 1 1 A 101 101 ASN H H 101 8.153 8.765 -0.612 1
1 1110 . 19 1 1 A 101 101 ASN HA H 101 4.518 5.130 -0.612 1
1 1115 . 19 1 1 A 101 101 ASN CA C 101 54.238 52.668 1.570 1
1 1116 . 19 1 1 A 101 101 ASN CB C 101 38.470 39.030 -0.560 1
1 1117 . 19 1 1 A 101 101 ASN N N 101 122.733 125.939 -3.206 1
1 1119 . 19 1 1 A 102 102 LEU H H 102 8.160 7.745 0.415 1
1 1120 . 19 1 1 A 102 102 LEU HA H 102 4.245 4.604 -0.359 1
1 1130 . 19 1 1 A 102 102 LEU CA C 102 55.449 53.621 1.828 1
1 1131 . 19 1 1 A 102 102 LEU CB C 102 42.549 44.408 -1.859 1
1 1135 . 19 1 1 A 102 102 LEU N N 102 122.544 119.165 3.379 1
1 1136 . 19 1 1 A 103 103 ASN H H 103 8.405 8.950 -0.545 1
1 1137 . 19 1 1 A 103 103 ASN HA H 103 4.867 4.890 -0.023 1
1 1142 . 19 1 1 A 103 103 ASN CA C 103 51.316 52.146 -0.830 1
1 1143 . 19 1 1 A 103 103 ASN CB C 103 39.049 37.623 1.426 1
1 1144 . 19 1 1 A 103 103 ASN N N 103 120.174 118.881 1.293 1
1 1146 . 19 1 1 A 104 104 PRO HA H 104 4.230 4.607 -0.377 1
1 1153 . 19 1 1 A 104 104 PRO CA C 104 63.559 62.556 1.003 1
1 1154 . 19 1 1 A 104 104 PRO CB C 104 32.102 30.558 1.544 1
1 1157 . 19 1 1 A 105 105 ILE H H 105 7.886 7.416 0.470 1
1 1158 . 19 1 1 A 105 105 ILE HA H 105 3.941 4.389 -0.448 1
1 1168 . 19 1 1 A 105 105 ILE CA C 105 61.348 60.626 0.722 1
1 1169 . 19 1 1 A 105 105 ILE CB C 105 38.569 37.842 0.727 1
1 1173 . 19 1 1 A 105 105 ILE N N 105 119.390 124.277 -4.887 1
1 1174 . 19 1 1 A 106 106 TYR H H 106 7.961 8.863 -0.902 1
1 1175 . 19 1 1 A 106 106 TYR HA H 106 4.536 4.999 -0.463 1
1 1182 . 19 1 1 A 106 106 TYR CA C 106 57.370 56.369 1.001 1
1 1183 . 19 1 1 A 106 106 TYR CB C 106 38.889 42.008 -3.119 1
1 1184 . 19 1 1 A 106 106 TYR N N 106 123.172 124.410 -1.238 1
1 1185 . 19 1 1 A 107 107 ALA H H 107 8.128 8.557 -0.429 1
1 1186 . 19 1 1 A 107 107 ALA HA H 107 4.217 4.799 -0.582 1
1 1190 . 19 1 1 A 107 107 ALA CA C 107 52.724 51.756 0.968 1
1 1191 . 19 1 1 A 107 107 ALA CB C 107 19.133 18.814 0.319 1
1 1192 . 19 1 1 A 107 107 ALA N N 107 125.520 124.859 0.661 1
1 1193 . 19 1 1 A 108 108 ASP H H 108 8.147 8.802 -0.655 1
1 1194 . 19 1 1 A 108 108 ASP HA H 108 4.511 5.237 -0.726 1
1 1197 . 19 1 1 A 108 108 ASP CA C 108 54.342 52.121 2.221 1
1 1198 . 19 1 1 A 108 108 ASP CB C 108 41.240 42.499 -1.259 1
1 1199 . 19 1 1 A 108 108 ASP N N 108 119.219 117.696 1.523 1
1 1200 . 19 1 1 A 109 109 GLY H H 109 8.313 8.657 -0.344 1
1 1201 . 19 1 1 A 109 109 GLY HA2 H 109 3.946 4.185 -0.239 1
1 1202 . 19 1 1 A 109 109 GLY HA3 H 109 3.848 4.191 -0.343 1
1 1203 . 19 1 1 A 109 109 GLY CA C 109 45.692 45.322 0.370 1
1 1204 . 19 1 1 A 109 109 GLY N N 109 109.478 107.192 2.286 1
1 1205 . 19 1 1 A 110 110 SER H H 110 8.175 8.618 -0.443 1
1 1206 . 19 1 1 A 110 110 SER HA H 110 4.286 4.126 0.160 1
1 1209 . 19 1 1 A 110 110 SER CA C 110 59.296 60.955 -1.659 1
1 1210 . 19 1 1 A 110 110 SER CB C 110 63.825 62.916 0.909 1
1 1211 . 19 1 1 A 110 110 SER N N 110 115.660 118.627 -2.967 1
1 1212 . 19 1 1 A 111 111 HIS HA H 111 4.527 4.368 0.159 1
1 1215 . 19 1 1 A 111 111 HIS CA C 111 56.109 56.860 -0.751 1
1 1216 . 19 1 1 A 111 111 HIS CB C 111 30.580 29.926 0.654 1
1 1217 . 19 1 1 A 112 112 HIS HA H 112 4.535 4.775 -0.240 1
1 1220 . 19 1 1 A 112 112 HIS CA C 112 57.411 56.566 0.845 1
1 1221 . 19 1 1 A 112 112 HIS CB C 112 30.756 30.601 0.155 1
1 2 . 20 1 1 A 2 2 VAL H H 2 8.613 8.473 0.140 1
1 3 . 20 1 1 A 2 2 VAL HA H 2 4.487 4.917 -0.430 1
1 11 . 20 1 1 A 2 2 VAL CA C 2 61.103 60.559 0.544 1
1 12 . 20 1 1 A 2 2 VAL CB C 2 35.731 36.115 -0.384 1
1 15 . 20 1 1 A 2 2 VAL N N 2 117.956 123.731 -5.775 1
1 16 . 20 1 1 A 3 3 ILE H H 3 8.439 8.873 -0.434 1
1 17 . 20 1 1 A 3 3 ILE HA H 3 4.498 4.758 -0.260 1
1 27 . 20 1 1 A 3 3 ILE CA C 3 60.172 59.589 0.583 1
1 28 . 20 1 1 A 3 3 ILE CB C 3 38.528 39.058 -0.530 1
1 32 . 20 1 1 A 3 3 ILE N N 3 125.643 126.768 -1.125 1
1 33 . 20 1 1 A 4 4 ILE H H 4 8.543 9.057 -0.514 1
1 34 . 20 1 1 A 4 4 ILE HA H 4 4.005 4.085 -0.080 1
1 44 . 20 1 1 A 4 4 ILE CA C 4 61.550 61.909 -0.359 1
1 45 . 20 1 1 A 4 4 ILE CB C 4 38.038 37.970 0.068 1
1 49 . 20 1 1 A 4 4 ILE N N 4 127.460 128.092 -0.632 1
1 50 . 20 1 1 A 5 5 LYS H H 5 8.292 8.625 -0.333 1
1 51 . 20 1 1 A 5 5 LYS HA H 5 5.173 4.734 0.439 1
1 60 . 20 1 1 A 5 5 LYS CA C 5 53.276 52.975 0.301 1
1 61 . 20 1 1 A 5 5 LYS CB C 5 33.713 33.906 -0.193 1
1 65 . 20 1 1 A 5 5 LYS N N 5 126.677 126.951 -0.274 1
1 66 . 20 1 1 A 6 6 PRO HA H 6 4.383 4.668 -0.285 1
1 73 . 20 1 1 A 6 6 PRO CA C 6 62.444 62.307 0.137 1
1 74 . 20 1 1 A 6 6 PRO CB C 6 32.018 33.367 -1.349 1
1 77 . 20 1 1 A 7 7 GLN H H 7 9.359 8.612 0.747 1
1 78 . 20 1 1 A 7 7 GLN HA H 7 4.406 4.497 -0.091 1
1 85 . 20 1 1 A 7 7 GLN CA C 7 56.357 55.385 0.972 1
1 86 . 20 1 1 A 7 7 GLN CB C 7 28.784 30.197 -1.413 1
1 88 . 20 1 1 A 7 7 GLN N N 7 119.975 119.337 0.638 1
1 90 . 20 1 1 A 8 8 VAL H H 8 7.032 7.410 -0.378 1
1 91 . 20 1 1 A 8 8 VAL HA H 8 4.486 4.705 -0.219 1
1 99 . 20 1 1 A 8 8 VAL CA C 8 58.874 59.094 -0.220 1
1 100 . 20 1 1 A 8 8 VAL CB C 8 35.169 35.881 -0.712 1
1 103 . 20 1 1 A 8 8 VAL N N 8 111.122 117.947 -6.825 1
1 104 . 20 1 1 A 9 9 SER H H 9 8.210 8.654 -0.444 1
1 105 . 20 1 1 A 9 9 SER HA H 9 4.957 5.072 -0.115 1
1 108 . 20 1 1 A 9 9 SER CA C 9 56.585 56.731 -0.146 1
1 109 . 20 1 1 A 9 9 SER CB C 9 64.442 64.852 -0.410 1
1 110 . 20 1 1 A 9 9 SER N N 9 115.043 116.230 -1.187 1
1 111 . 20 1 1 A 10 10 GLY H H 10 8.003 7.734 0.269 1
1 112 . 20 1 1 A 10 10 GLY HA2 H 10 4.412 4.236 0.176 1
1 113 . 20 1 1 A 10 10 GLY HA3 H 10 3.645 4.295 -0.650 1
1 114 . 20 1 1 A 10 10 GLY CA C 10 45.292 46.058 -0.766 1
1 115 . 20 1 1 A 10 10 GLY N N 10 108.708 108.119 0.589 1
1 116 . 20 1 1 A 11 11 VAL H H 11 8.006 8.513 -0.507 1
1 117 . 20 1 1 A 11 11 VAL HA H 11 4.743 5.393 -0.650 1
1 125 . 20 1 1 A 11 11 VAL CA C 11 60.539 59.465 1.074 1
1 126 . 20 1 1 A 11 11 VAL CB C 11 34.951 35.828 -0.877 1
1 129 . 20 1 1 A 11 11 VAL N N 11 118.308 119.044 -0.736 1
1 130 . 20 1 1 A 12 12 ILE H H 12 8.459 8.910 -0.451 1
1 131 . 20 1 1 A 12 12 ILE HA H 12 4.050 4.274 -0.224 1
1 141 . 20 1 1 A 12 12 ILE CA C 12 60.287 62.502 -2.215 1
1 142 . 20 1 1 A 12 12 ILE CB C 12 35.650 37.969 -2.319 1
1 146 . 20 1 1 A 12 12 ILE N N 12 125.265 125.261 0.004 1
1 147 . 20 1 1 A 13 13 VAL H H 13 8.908 9.543 -0.635 1
1 148 . 20 1 1 A 13 13 VAL HA H 13 4.500 4.121 0.379 1
1 156 . 20 1 1 A 13 13 VAL CA C 13 62.126 63.625 -1.499 1
1 157 . 20 1 1 A 13 13 VAL CB C 13 33.291 32.966 0.325 1
1 160 . 20 1 1 A 13 13 VAL N N 13 124.479 126.472 -1.993 1
1 161 . 20 1 1 A 14 14 ASN H H 14 7.653 7.552 0.101 1
1 162 . 20 1 1 A 14 14 ASN HA H 14 4.819 5.095 -0.276 1
1 167 . 20 1 1 A 14 14 ASN CA C 14 52.806 52.816 -0.010 1
1 168 . 20 1 1 A 14 14 ASN CB C 14 41.978 41.641 0.337 1
1 169 . 20 1 1 A 14 14 ASN N N 14 114.961 113.967 0.994 1
1 171 . 20 1 1 A 15 15 LYS H H 15 8.404 8.654 -0.250 1
1 172 . 20 1 1 A 15 15 LYS HA H 15 4.641 4.832 -0.191 1
1 179 . 20 1 1 A 15 15 LYS CA C 15 55.935 54.522 1.413 1
1 180 . 20 1 1 A 15 15 LYS CB C 15 35.274 35.779 -0.505 1
1 183 . 20 1 1 A 15 15 LYS N N 15 123.768 120.388 3.380 1
1 184 . 20 1 1 A 16 16 LEU H H 16 8.020 9.004 -0.984 1
1 185 . 20 1 1 A 16 16 LEU HA H 16 4.611 4.675 -0.064 1
1 195 . 20 1 1 A 16 16 LEU CA C 16 55.124 53.889 1.235 1
1 196 . 20 1 1 A 16 16 LEU CB C 16 41.308 42.471 -1.163 1
1 200 . 20 1 1 A 16 16 LEU N N 16 126.162 123.080 3.082 1
1 201 . 20 1 1 A 17 17 PHE H H 17 6.573 7.339 -0.766 1
1 202 . 20 1 1 A 17 17 PHE HA H 17 4.862 5.050 -0.188 1
1 207 . 20 1 1 A 17 17 PHE CA C 17 55.528 56.312 -0.784 1
1 208 . 20 1 1 A 17 17 PHE CB C 17 41.093 43.397 -2.304 1
1 209 . 20 1 1 A 17 17 PHE N N 17 113.628 119.618 -5.990 1
1 210 . 20 1 1 A 18 18 LYS H H 18 8.655 8.267 0.388 1
1 211 . 20 1 1 A 18 18 LYS HA H 18 4.333 4.853 -0.520 1
1 220 . 20 1 1 A 18 18 LYS CA C 18 54.277 54.407 -0.130 1
1 221 . 20 1 1 A 18 18 LYS CB C 18 35.134 35.611 -0.477 1
1 225 . 20 1 1 A 18 18 LYS N N 18 120.572 121.453 -0.881 1
1 226 . 20 1 1 A 19 19 ALA H H 19 8.407 8.674 -0.267 1
1 227 . 20 1 1 A 19 19 ALA HA H 19 3.962 4.322 -0.360 1
1 231 . 20 1 1 A 19 19 ALA CA C 19 53.980 53.949 0.031 1
1 232 . 20 1 1 A 19 19 ALA CB C 19 18.497 18.565 -0.068 1
1 233 . 20 1 1 A 19 19 ALA N N 19 123.842 127.192 -3.350 1
1 234 . 20 1 1 A 20 20 GLY H H 20 8.814 8.605 0.209 1
1 235 . 20 1 1 A 20 20 GLY HA2 H 20 4.313 3.966 0.347 1
1 236 . 20 1 1 A 20 20 GLY HA3 H 20 3.532 3.983 -0.451 1
1 237 . 20 1 1 A 20 20 GLY CA C 20 45.045 45.387 -0.342 1
1 238 . 20 1 1 A 20 20 GLY N N 20 112.434 111.047 1.387 1
1 239 . 20 1 1 A 21 21 ASP H H 21 7.933 7.835 0.098 1
1 240 . 20 1 1 A 21 21 ASP HA H 21 4.499 4.941 -0.442 1
1 243 . 20 1 1 A 21 21 ASP CA C 21 55.383 52.783 2.600 1
1 244 . 20 1 1 A 21 21 ASP CB C 21 41.067 43.347 -2.280 1
1 245 . 20 1 1 A 21 21 ASP N N 21 121.505 119.838 1.667 1
1 246 . 20 1 1 A 22 22 LYS H H 22 8.311 8.269 0.042 1
1 247 . 20 1 1 A 22 22 LYS HA H 22 4.871 4.912 -0.041 1
1 256 . 20 1 1 A 22 22 LYS CA C 22 55.659 55.684 -0.025 1
1 257 . 20 1 1 A 22 22 LYS CB C 22 31.820 34.114 -2.294 1
1 261 . 20 1 1 A 22 22 LYS N N 22 120.225 118.065 2.160 1
1 262 . 20 1 1 A 23 23 VAL H H 23 8.935 8.529 0.406 1
1 263 . 20 1 1 A 23 23 VAL HA H 23 4.841 5.319 -0.478 1
1 271 . 20 1 1 A 23 23 VAL CA C 23 58.502 59.649 -1.147 1
1 272 . 20 1 1 A 23 23 VAL CB C 23 34.507 35.573 -1.066 1
1 275 . 20 1 1 A 23 23 VAL N N 23 117.700 120.203 -2.503 1
1 276 . 20 1 1 A 24 24 LYS H H 24 7.960 8.967 -1.007 1
1 277 . 20 1 1 A 24 24 LYS HA H 24 4.838 5.005 -0.167 1
1 286 . 20 1 1 A 24 24 LYS CA C 24 53.195 54.374 -1.179 1
1 287 . 20 1 1 A 24 24 LYS CB C 24 35.213 35.341 -0.128 1
1 291 . 20 1 1 A 24 24 LYS N N 24 121.958 127.639 -5.681 1
1 292 . 20 1 1 A 25 25 LYS H H 25 8.915 8.688 0.227 1
1 293 . 20 1 1 A 25 25 LYS HA H 25 3.156 4.090 -0.934 1
1 300 . 20 1 1 A 25 25 LYS CA C 25 58.648 57.549 1.099 1
1 301 . 20 1 1 A 25 25 LYS CB C 25 32.648 31.144 1.504 1
1 304 . 20 1 1 A 25 25 LYS N N 25 121.653 124.820 -3.167 1
1 305 . 20 1 1 A 26 26 GLY H H 26 8.900 8.571 0.329 1
1 306 . 20 1 1 A 26 26 GLY HA2 H 26 4.283 3.984 0.299 1
1 307 . 20 1 1 A 26 26 GLY HA3 H 26 3.471 4.002 -0.531 1
1 308 . 20 1 1 A 26 26 GLY CA C 26 45.263 45.145 0.118 1
1 309 . 20 1 1 A 26 26 GLY N N 26 115.268 113.308 1.960 1
1 310 . 20 1 1 A 27 27 GLN H H 27 8.433 7.697 0.736 1
1 311 . 20 1 1 A 27 27 GLN HA H 27 4.141 4.501 -0.360 1
1 318 . 20 1 1 A 27 27 GLN CA C 27 56.324 55.190 1.134 1
1 319 . 20 1 1 A 27 27 GLN CB C 27 30.520 30.120 0.400 1
1 321 . 20 1 1 A 27 27 GLN N N 27 123.155 119.878 3.277 1
1 323 . 20 1 1 A 28 28 THR H H 28 9.110 8.893 0.217 1
1 324 . 20 1 1 A 28 28 THR HA H 28 3.893 4.270 -0.377 1
1 329 . 20 1 1 A 28 28 THR CA C 28 65.828 63.587 2.241 1
1 330 . 20 1 1 A 28 28 THR CB C 28 68.581 69.486 -0.905 1
1 332 . 20 1 1 A 28 28 THR N N 28 124.748 118.389 6.359 1
1 333 . 20 1 1 A 29 29 LEU H H 29 9.509 8.817 0.692 1
1 334 . 20 1 1 A 29 29 LEU HA H 29 4.383 4.418 -0.035 1
1 344 . 20 1 1 A 29 29 LEU CA C 29 55.795 55.666 0.129 1
1 345 . 20 1 1 A 29 29 LEU CB C 29 44.572 43.695 0.877 1
1 349 . 20 1 1 A 29 29 LEU N N 29 125.873 126.124 -0.251 1
1 350 . 20 1 1 A 30 30 PHE H H 30 7.579 7.827 -0.248 1
1 351 . 20 1 1 A 30 30 PHE HA H 30 5.367 5.138 0.229 1
1 359 . 20 1 1 A 30 30 PHE CA C 30 55.486 56.078 -0.592 1
1 360 . 20 1 1 A 30 30 PHE CB C 30 44.887 43.131 1.756 1
1 361 . 20 1 1 A 30 30 PHE N N 30 111.134 114.531 -3.397 1
1 362 . 20 1 1 A 31 31 ILE H H 31 7.858 8.676 -0.818 1
1 363 . 20 1 1 A 31 31 ILE HA H 31 4.817 4.808 0.009 1
1 373 . 20 1 1 A 31 31 ILE CA C 31 60.063 59.772 0.291 1
1 374 . 20 1 1 A 31 31 ILE CB C 31 39.395 42.384 -2.989 1
1 378 . 20 1 1 A 31 31 ILE N N 31 119.416 119.353 0.063 1
1 379 . 20 1 1 A 32 32 ILE H H 32 9.107 8.781 0.326 1
1 380 . 20 1 1 A 32 32 ILE HA H 32 4.842 5.068 -0.226 1
1 390 . 20 1 1 A 32 32 ILE CA C 32 59.002 59.966 -0.964 1
1 391 . 20 1 1 A 32 32 ILE CB C 32 42.048 42.273 -0.225 1
1 395 . 20 1 1 A 32 32 ILE N N 32 127.892 125.648 2.244 1
1 396 . 20 1 1 A 33 33 GLU H H 33 9.095 9.365 -0.270 1
1 397 . 20 1 1 A 33 33 GLU HA H 33 4.642 5.057 -0.415 1
1 402 . 20 1 1 A 33 33 GLU CA C 33 54.985 54.737 0.248 1
1 403 . 20 1 1 A 33 33 GLU CB C 33 31.672 31.846 -0.174 1
1 405 . 20 1 1 A 33 33 GLU N N 33 128.157 127.426 0.731 1
1 406 . 20 1 1 A 34 34 GLN H H 34 8.725 8.574 0.151 1
1 407 . 20 1 1 A 34 34 GLN HA H 34 4.354 4.909 -0.555 1
1 414 . 20 1 1 A 34 34 GLN CA C 34 56.807 54.086 2.721 1
1 415 . 20 1 1 A 34 34 GLN CB C 34 30.119 31.047 -0.928 1
1 417 . 20 1 1 A 34 34 GLN N N 34 128.123 125.108 3.015 1
1 419 . 20 1 1 A 35 35 ASP H H 35 8.524 8.948 -0.424 1
1 420 . 20 1 1 A 35 35 ASP HA H 35 4.609 4.779 -0.170 1
1 423 . 20 1 1 A 35 35 ASP CA C 35 54.226 56.114 -1.888 1
1 424 . 20 1 1 A 35 35 ASP CB C 35 41.429 41.939 -0.510 1
1 425 . 20 1 1 A 35 35 ASP N N 35 122.485 119.533 2.952 1
1 426 . 20 1 1 A 36 36 GLN H H 36 8.576 7.915 0.661 1
1 427 . 20 1 1 A 36 36 GLN HA H 36 4.041 4.331 -0.290 1
1 434 . 20 1 1 A 36 36 GLN CA C 36 56.662 57.307 -0.645 1
1 435 . 20 1 1 A 36 36 GLN CB C 36 29.166 26.738 2.428 1
1 437 . 20 1 1 A 36 36 GLN N N 36 123.321 117.794 5.527 1
1 439 . 20 1 1 A 37 37 ALA H H 37 8.322 8.013 0.309 1
1 440 . 20 1 1 A 37 37 ALA HA H 37 4.232 4.595 -0.363 1
1 444 . 20 1 1 A 37 37 ALA CA C 37 53.231 52.034 1.197 1
1 445 . 20 1 1 A 37 37 ALA CB C 37 19.020 18.961 0.059 1
1 446 . 20 1 1 A 37 37 ALA N N 37 123.086 120.778 2.308 1
1 447 . 20 1 1 A 38 38 SER H H 38 7.919 7.608 0.311 1
1 448 . 20 1 1 A 38 38 SER HA H 38 4.283 4.470 -0.187 1
1 451 . 20 1 1 A 38 38 SER CA C 38 58.884 57.700 1.184 1
1 452 . 20 1 1 A 38 38 SER CB C 38 63.835 64.218 -0.383 1
1 453 . 20 1 1 A 38 38 SER N N 38 113.578 114.032 -0.454 1
1 454 . 20 1 1 A 39 39 LYS H H 39 8.153 8.621 -0.468 1
1 455 . 20 1 1 A 39 39 LYS HA H 39 4.140 3.954 0.186 1
1 463 . 20 1 1 A 39 39 LYS CA C 39 57.127 58.890 -1.763 1
1 464 . 20 1 1 A 39 39 LYS CB C 39 32.812 32.599 0.213 1
1 468 . 20 1 1 A 39 39 LYS N N 39 122.651 119.394 3.257 1
1 469 . 20 1 1 A 40 40 ASP H H 40 8.100 7.804 0.296 1
1 470 . 20 1 1 A 40 40 ASP HA H 40 4.532 4.998 -0.466 1
1 473 . 20 1 1 A 40 40 ASP CA C 40 54.376 53.227 1.149 1
1 474 . 20 1 1 A 40 40 ASP CB C 40 41.245 40.506 0.739 1
1 475 . 20 1 1 A 40 40 ASP N N 40 119.441 115.565 3.876 1
1 476 . 20 1 1 A 41 41 PHE H H 41 7.924 8.702 -0.778 1
1 477 . 20 1 1 A 41 41 PHE HA H 41 4.384 4.691 -0.307 1
1 484 . 20 1 1 A 41 41 PHE CA C 41 58.704 58.258 0.446 1
1 485 . 20 1 1 A 41 41 PHE CB C 41 39.397 41.038 -1.641 1
1 486 . 20 1 1 A 41 41 PHE N N 41 121.124 121.952 -0.828 1
1 487 . 20 1 1 A 42 42 ASN H H 42 8.311 8.144 0.167 1
1 488 . 20 1 1 A 42 42 ASN HA H 42 4.523 4.923 -0.400 1
1 492 . 20 1 1 A 42 42 ASN CA C 42 53.133 53.993 -0.860 1
1 493 . 20 1 1 A 42 42 ASN CB C 42 38.801 40.368 -1.567 1
1 494 . 20 1 1 A 42 42 ASN N N 42 120.181 113.285 6.896 1
1 496 . 20 1 1 A 43 43 ARG H H 43 8.133 8.038 0.095 1
1 497 . 20 1 1 A 43 43 ARG HA H 43 4.115 3.950 0.165 1
1 504 . 20 1 1 A 43 43 ARG CA C 43 57.051 57.252 -0.201 1
1 505 . 20 1 1 A 43 43 ARG CB C 43 30.514 28.593 1.921 1
1 508 . 20 1 1 A 43 43 ARG N N 43 121.727 118.370 3.357 1
1 509 . 20 1 1 A 44 44 SER H H 44 8.174 8.380 -0.206 1
1 510 . 20 1 1 A 44 44 SER HA H 44 4.286 4.386 -0.100 1
1 513 . 20 1 1 A 44 44 SER CA C 44 59.344 58.723 0.621 1
1 514 . 20 1 1 A 44 44 SER CB C 44 63.357 62.633 0.724 1
1 515 . 20 1 1 A 44 44 SER N N 44 115.718 114.519 1.199 1
1 516 . 20 1 1 A 45 45 LYS H H 45 7.963 8.620 -0.657 1
1 517 . 20 1 1 A 45 45 LYS HA H 45 4.123 4.014 0.109 1
1 526 . 20 1 1 A 45 45 LYS CA C 45 56.866 58.492 -1.626 1
1 527 . 20 1 1 A 45 45 LYS CB C 45 32.777 32.911 -0.134 1
1 530 . 20 1 1 A 45 45 LYS N N 45 122.326 124.333 -2.007 1
1 531 . 20 1 1 A 46 46 ALA H H 46 7.965 7.296 0.669 1
1 532 . 20 1 1 A 46 46 ALA HA H 46 4.165 4.324 -0.159 1
1 536 . 20 1 1 A 46 46 ALA CA C 46 52.999 51.433 1.566 1
1 537 . 20 1 1 A 46 46 ALA CB C 46 18.944 21.207 -2.263 1
1 538 . 20 1 1 A 46 46 ALA N N 46 123.536 115.940 7.596 1
1 539 . 20 1 1 A 47 47 LEU H H 47 7.898 8.412 -0.514 1
1 540 . 20 1 1 A 47 47 LEU HA H 47 4.158 4.461 -0.303 1
1 550 . 20 1 1 A 47 47 LEU CA C 47 55.583 53.603 1.980 1
1 551 . 20 1 1 A 47 47 LEU CB C 47 42.404 41.785 0.619 1
1 555 . 20 1 1 A 47 47 LEU N N 47 119.914 117.872 2.042 1
1 556 . 20 1 1 A 48 48 PHE H H 48 7.981 7.689 0.292 1
1 557 . 20 1 1 A 48 48 PHE HA H 48 4.539 4.020 0.519 1
1 564 . 20 1 1 A 48 48 PHE CA C 48 58.033 58.798 -0.765 1
1 565 . 20 1 1 A 48 48 PHE CB C 48 39.470 36.109 3.361 1
1 566 . 20 1 1 A 48 48 PHE N N 48 119.602 115.385 4.217 1
1 567 . 20 1 1 A 49 49 SER H H 49 8.028 7.954 0.074 1
1 568 . 20 1 1 A 49 49 SER HA H 49 4.332 4.053 0.279 1
1 571 . 20 1 1 A 49 49 SER CA C 49 58.581 61.785 -3.204 1
1 572 . 20 1 1 A 49 49 SER CB C 49 63.866 63.423 0.443 1
1 573 . 20 1 1 A 49 49 SER N N 49 116.270 115.484 0.786 1
1 574 . 20 1 1 A 50 50 GLN H H 50 8.266 7.781 0.485 1
1 575 . 20 1 1 A 50 50 GLN HA H 50 4.257 4.629 -0.372 1
1 582 . 20 1 1 A 50 50 GLN CA C 50 56.435 56.528 -0.093 1
1 583 . 20 1 1 A 50 50 GLN CB C 50 29.204 30.804 -1.600 1
1 585 . 20 1 1 A 50 50 GLN N N 50 121.931 116.258 5.673 1
1 587 . 20 1 1 A 51 51 SER H H 51 8.147 7.867 0.280 1
1 588 . 20 1 1 A 51 51 SER HA H 51 4.338 4.839 -0.501 1
1 591 . 20 1 1 A 51 51 SER CA C 51 58.645 57.011 1.634 1
1 592 . 20 1 1 A 51 51 SER CB C 51 63.784 62.917 0.867 1
1 593 . 20 1 1 A 51 51 SER N N 51 115.676 112.483 3.193 1
1 594 . 20 1 1 A 52 52 ALA H H 52 8.175 8.635 -0.460 1
1 595 . 20 1 1 A 52 52 ALA HA H 52 4.265 4.498 -0.233 1
1 599 . 20 1 1 A 52 52 ALA CA C 52 53.031 52.840 0.191 1
1 600 . 20 1 1 A 52 52 ALA CB C 52 18.941 20.743 -1.802 1
1 601 . 20 1 1 A 52 52 ALA N N 52 125.360 123.201 2.159 1
1 602 . 20 1 1 A 53 53 ILE H H 53 7.870 7.718 0.152 1
1 603 . 20 1 1 A 53 53 ILE HA H 53 4.099 4.732 -0.633 1
1 613 . 20 1 1 A 53 53 ILE CA C 53 61.558 59.905 1.653 1
1 614 . 20 1 1 A 53 53 ILE CB C 53 38.851 42.357 -3.506 1
1 618 . 20 1 1 A 53 53 ILE N N 53 118.231 117.575 0.656 1
1 619 . 20 1 1 A 54 54 SER H H 54 8.159 8.980 -0.821 1
1 620 . 20 1 1 A 54 54 SER HA H 54 4.384 4.540 -0.156 1
1 623 . 20 1 1 A 54 54 SER CA C 54 58.551 57.722 0.829 1
1 624 . 20 1 1 A 54 54 SER CB C 54 63.964 62.349 1.615 1
1 625 . 20 1 1 A 54 54 SER N N 54 118.588 121.693 -3.105 1
1 626 . 20 1 1 A 55 55 GLN H H 55 8.301 8.396 -0.095 1
1 627 . 20 1 1 A 55 55 GLN HA H 55 4.214 3.359 0.855 1
1 634 . 20 1 1 A 55 55 GLN CA C 55 56.547 57.910 -1.363 1
1 635 . 20 1 1 A 55 55 GLN CB C 55 29.292 27.110 2.182 1
1 637 . 20 1 1 A 55 55 GLN N N 55 122.173 121.582 0.591 1
1 639 . 20 1 1 A 56 56 LYS H H 56 8.163 8.519 -0.356 1
1 640 . 20 1 1 A 56 56 LYS HA H 56 4.177 4.071 0.106 1
1 647 . 20 1 1 A 56 56 LYS CA C 56 56.978 59.219 -2.241 1
1 648 . 20 1 1 A 56 56 LYS CB C 56 32.855 31.930 0.925 1
1 651 . 20 1 1 A 56 56 LYS N N 56 121.126 118.856 2.270 1
1 652 . 20 1 1 A 57 57 GLU H H 57 8.211 8.162 0.049 1
1 653 . 20 1 1 A 57 57 GLU HA H 57 4.151 4.637 -0.486 1
1 658 . 20 1 1 A 57 57 GLU CA C 57 57.058 55.859 1.199 1
1 659 . 20 1 1 A 57 57 GLU CB C 57 30.211 31.243 -1.032 1
1 661 . 20 1 1 A 57 57 GLU N N 57 120.615 118.214 2.401 1
1 662 . 20 1 1 A 58 58 TYR H H 58 8.070 7.922 0.148 1
1 663 . 20 1 1 A 58 58 TYR HA H 58 4.375 4.416 -0.041 1
1 670 . 20 1 1 A 58 58 TYR CA C 58 58.570 58.074 0.496 1
1 671 . 20 1 1 A 58 58 TYR CB C 58 38.962 39.815 -0.853 1
1 672 . 20 1 1 A 58 58 TYR N N 58 120.822 119.181 1.641 1
1 673 . 20 1 1 A 59 59 ASP H H 59 8.146 8.565 -0.419 1
1 674 . 20 1 1 A 59 59 ASP HA H 59 4.492 4.776 -0.284 1
1 677 . 20 1 1 A 59 59 ASP CA C 59 54.396 52.369 2.027 1
1 678 . 20 1 1 A 59 59 ASP CB C 59 41.086 42.810 -1.724 1
1 679 . 20 1 1 A 59 59 ASP N N 59 122.551 120.880 1.671 1
1 680 . 20 1 1 A 60 60 SER H H 60 8.253 8.728 -0.475 1
1 681 . 20 1 1 A 60 60 SER HA H 60 4.260 3.864 0.396 1
1 684 . 20 1 1 A 60 60 SER CA C 60 59.533 61.319 -1.786 1
1 685 . 20 1 1 A 60 60 SER CB C 60 63.422 62.514 0.908 1
1 686 . 20 1 1 A 60 60 SER N N 60 117.657 120.481 -2.824 1
1 687 . 20 1 1 A 61 61 SER H H 61 8.344 8.244 0.100 1
1 688 . 20 1 1 A 61 61 SER HA H 61 4.307 4.199 0.108 1
1 691 . 20 1 1 A 61 61 SER CA C 61 59.755 61.311 -1.556 1
1 692 . 20 1 1 A 61 61 SER CB C 61 63.582 62.812 0.770 1
1 693 . 20 1 1 A 61 61 SER N N 61 118.129 116.012 2.117 1
1 694 . 20 1 1 A 62 62 LEU H H 62 7.759 7.854 -0.095 1
1 695 . 20 1 1 A 62 62 LEU HA H 62 4.234 4.431 -0.197 1
1 705 . 20 1 1 A 62 62 LEU CA C 62 55.464 54.620 0.844 1
1 706 . 20 1 1 A 62 62 LEU CB C 62 42.238 41.676 0.562 1
1 710 . 20 1 1 A 62 62 LEU N N 62 122.627 117.524 5.103 1
1 711 . 20 1 1 A 63 63 ALA H H 63 7.919 8.302 -0.383 1
1 712 . 20 1 1 A 63 63 ALA HA H 63 4.276 4.581 -0.305 1
1 716 . 20 1 1 A 63 63 ALA CA C 63 52.922 51.573 1.349 1
1 717 . 20 1 1 A 63 63 ALA CB C 63 19.221 20.235 -1.014 1
1 718 . 20 1 1 A 63 63 ALA N N 63 123.444 122.238 1.206 1
1 719 . 20 1 1 A 64 64 THR H H 64 7.890 7.668 0.222 1
1 720 . 20 1 1 A 64 64 THR HA H 64 4.217 4.560 -0.343 1
1 725 . 20 1 1 A 64 64 THR CA C 64 61.787 60.746 1.041 1
1 726 . 20 1 1 A 64 64 THR CB C 64 69.719 69.182 0.537 1
1 728 . 20 1 1 A 64 64 THR N N 64 112.279 112.646 -0.367 1
1 729 . 20 1 1 A 65 65 LEU H H 65 8.009 7.619 0.390 1
1 730 . 20 1 1 A 65 65 LEU HA H 65 4.295 4.825 -0.530 1
1 740 . 20 1 1 A 65 65 LEU CA C 65 55.345 54.444 0.901 1
1 741 . 20 1 1 A 65 65 LEU CB C 65 42.412 44.748 -2.336 1
1 745 . 20 1 1 A 65 65 LEU N N 65 123.586 122.014 1.572 1
1 746 . 20 1 1 A 66 66 ASP H H 66 8.288 8.957 -0.669 1
1 747 . 20 1 1 A 66 66 ASP HA H 66 4.564 5.310 -0.746 1
1 750 . 20 1 1 A 66 66 ASP CA C 66 54.676 53.205 1.471 1
1 751 . 20 1 1 A 66 66 ASP CB C 66 41.376 42.507 -1.131 1
1 752 . 20 1 1 A 66 66 ASP N N 66 120.344 124.652 -4.308 1
1 753 . 20 1 1 A 67 67 HIS H H 67 8.058 9.111 -1.053 1
1 754 . 20 1 1 A 67 67 HIS HA H 67 5.247 5.448 -0.201 1
1 758 . 20 1 1 A 67 67 HIS CA C 67 55.260 54.184 1.076 1
1 759 . 20 1 1 A 67 67 HIS CB C 67 31.974 32.817 -0.843 1
1 760 . 20 1 1 A 67 67 HIS N N 67 119.406 121.393 -1.987 1
1 761 . 20 1 1 A 68 68 THR H H 68 8.919 9.326 -0.407 1
1 762 . 20 1 1 A 68 68 THR HA H 68 4.484 4.732 -0.248 1
1 767 . 20 1 1 A 68 68 THR CA C 68 62.542 61.550 0.992 1
1 768 . 20 1 1 A 68 68 THR CB C 68 71.067 71.483 -0.416 1
1 770 . 20 1 1 A 68 68 THR N N 68 117.233 116.186 1.047 1
1 771 . 20 1 1 A 69 69 GLU H H 69 8.649 8.924 -0.275 1
1 772 . 20 1 1 A 69 69 GLU HA H 69 4.703 4.645 0.058 1
1 777 . 20 1 1 A 69 69 GLU CA C 69 55.886 56.589 -0.703 1
1 778 . 20 1 1 A 69 69 GLU CB C 69 31.746 30.948 0.798 1
1 780 . 20 1 1 A 69 69 GLU N N 69 124.187 126.754 -2.567 1
1 781 . 20 1 1 A 70 70 ILE H H 70 8.601 9.071 -0.470 1
1 782 . 20 1 1 A 70 70 ILE HA H 70 4.405 4.514 -0.109 1
1 792 . 20 1 1 A 70 70 ILE CA C 70 59.234 60.533 -1.299 1
1 793 . 20 1 1 A 70 70 ILE CB C 70 37.318 37.914 -0.596 1
1 797 . 20 1 1 A 70 70 ILE N N 70 123.482 123.312 0.170 1
1 798 . 20 1 1 A 71 71 LYS H H 71 8.926 8.430 0.496 1
1 799 . 20 1 1 A 71 71 LYS HA H 71 5.078 4.846 0.232 1
1 806 . 20 1 1 A 71 71 LYS CA C 71 54.584 55.692 -1.108 1
1 807 . 20 1 1 A 71 71 LYS CB C 71 36.281 33.510 2.771 1
1 810 . 20 1 1 A 71 71 LYS N N 71 128.267 126.170 2.097 1
1 811 . 20 1 1 A 72 72 ALA H H 72 8.633 8.973 -0.340 1
1 812 . 20 1 1 A 72 72 ALA HA H 72 4.067 4.414 -0.347 1
1 816 . 20 1 1 A 72 72 ALA CA C 72 49.967 50.390 -0.423 1
1 817 . 20 1 1 A 72 72 ALA CB C 72 17.255 18.367 -1.112 1
1 818 . 20 1 1 A 72 72 ALA N N 72 123.088 123.639 -0.551 1
1 819 . 20 1 1 A 73 73 PRO HA H 73 4.333 4.358 -0.025 1
1 826 . 20 1 1 A 73 73 PRO CA C 73 63.716 64.481 -0.765 1
1 827 . 20 1 1 A 73 73 PRO CB C 73 31.915 31.955 -0.040 1
1 830 . 20 1 1 A 74 74 PHE H H 74 6.768 6.741 0.027 1
1 831 . 20 1 1 A 74 74 PHE HA H 74 4.421 5.140 -0.719 1
1 838 . 20 1 1 A 74 74 PHE CA C 74 54.396 55.931 -1.535 1
1 839 . 20 1 1 A 74 74 PHE CB C 74 40.697 40.636 0.061 1
1 840 . 20 1 1 A 74 74 PHE N N 74 112.022 112.315 -0.293 1
1 841 . 20 1 1 A 75 75 ASP H H 75 8.583 8.959 -0.376 1
1 842 . 20 1 1 A 75 75 ASP HA H 75 4.922 5.400 -0.478 1
1 845 . 20 1 1 A 75 75 ASP CA C 75 53.873 53.886 -0.013 1
1 846 . 20 1 1 A 75 75 ASP CB C 75 40.839 42.161 -1.322 1
1 847 . 20 1 1 A 75 75 ASP N N 75 118.252 120.386 -2.134 1
1 848 . 20 1 1 A 76 76 GLY H H 76 8.348 8.173 0.175 1
1 849 . 20 1 1 A 76 76 GLY HA2 H 76 4.236 4.285 -0.049 1
1 850 . 20 1 1 A 76 76 GLY HA3 H 76 4.075 4.336 -0.261 1
1 851 . 20 1 1 A 76 76 GLY CA C 76 46.639 45.336 1.303 1
1 852 . 20 1 1 A 76 76 GLY N N 76 108.729 110.368 -1.639 1
1 853 . 20 1 1 A 77 77 THR H H 77 8.623 8.742 -0.119 1
1 854 . 20 1 1 A 77 77 THR HA H 77 4.975 4.793 0.182 1
1 859 . 20 1 1 A 77 77 THR CA C 77 61.752 62.727 -0.975 1
1 860 . 20 1 1 A 77 77 THR CB C 77 70.121 69.987 0.134 1
1 862 . 20 1 1 A 77 77 THR N N 77 116.400 116.559 -0.159 1
1 863 . 20 1 1 A 78 78 ILE H H 78 8.824 8.611 0.213 1
1 864 . 20 1 1 A 78 78 ILE HA H 78 4.673 4.716 -0.043 1
1 874 . 20 1 1 A 78 78 ILE CA C 78 60.164 60.551 -0.387 1
1 875 . 20 1 1 A 78 78 ILE CB C 78 42.973 40.268 2.705 1
1 879 . 20 1 1 A 78 78 ILE N N 78 129.310 129.720 -0.410 1
1 880 . 20 1 1 A 79 79 GLY H H 79 8.060 8.203 -0.143 1
1 881 . 20 1 1 A 79 79 GLY HA2 H 79 4.404 4.191 0.213 1
1 882 . 20 1 1 A 79 79 GLY HA3 H 79 3.775 4.195 -0.420 1
1 883 . 20 1 1 A 79 79 GLY CA C 79 44.149 44.473 -0.324 1
1 884 . 20 1 1 A 79 79 GLY N N 79 114.539 115.154 -0.615 1
1 885 . 20 1 1 A 80 80 ASP H H 80 7.804 8.331 -0.527 1
1 886 . 20 1 1 A 80 80 ASP HA H 80 4.703 4.752 -0.049 1
1 889 . 20 1 1 A 80 80 ASP CA C 80 53.703 54.390 -0.687 1
1 890 . 20 1 1 A 80 80 ASP CB C 80 41.918 41.881 0.037 1
1 891 . 20 1 1 A 80 80 ASP N N 80 113.688 121.448 -7.760 1
1 892 . 20 1 1 A 81 81 ALA H H 81 8.566 8.687 -0.121 1
1 893 . 20 1 1 A 81 81 ALA HA H 81 4.571 4.520 0.051 1
1 897 . 20 1 1 A 81 81 ALA CA C 81 53.312 51.703 1.609 1
1 898 . 20 1 1 A 81 81 ALA CB C 81 20.381 20.135 0.246 1
1 899 . 20 1 1 A 81 81 ALA N N 81 124.136 126.295 -2.159 1
1 900 . 20 1 1 A 82 82 LEU H H 82 8.747 8.596 0.151 1
1 901 . 20 1 1 A 82 82 LEU HA H 82 4.345 4.497 -0.152 1
1 910 . 20 1 1 A 82 82 LEU CA C 82 55.210 55.763 -0.553 1
1 911 . 20 1 1 A 82 82 LEU CB C 82 41.457 44.429 -2.972 1
1 914 . 20 1 1 A 82 82 LEU N N 82 121.773 117.620 4.153 1
1 915 . 20 1 1 A 83 83 VAL H H 83 7.141 7.583 -0.442 1
1 916 . 20 1 1 A 83 83 VAL HA H 83 4.496 4.586 -0.090 1
1 924 . 20 1 1 A 83 83 VAL CA C 83 58.502 59.914 -1.412 1
1 925 . 20 1 1 A 83 83 VAL CB C 83 35.229 34.198 1.031 1
1 928 . 20 1 1 A 83 83 VAL N N 83 108.169 114.604 -6.435 1
1 929 . 20 1 1 A 84 84 ASN H H 84 9.076 8.665 0.411 1
1 930 . 20 1 1 A 84 84 ASN HA H 84 4.887 5.188 -0.301 1
1 935 . 20 1 1 A 84 84 ASN CA C 84 51.248 51.439 -0.191 1
1 936 . 20 1 1 A 84 84 ASN CB C 84 41.989 42.051 -0.062 1
1 937 . 20 1 1 A 84 84 ASN N N 84 119.502 118.721 0.781 1
1 939 . 20 1 1 A 85 85 ILE H H 85 8.404 8.356 0.048 1
1 940 . 20 1 1 A 85 85 ILE HA H 85 3.393 3.971 -0.578 1
1 950 . 20 1 1 A 85 85 ILE CA C 85 63.873 62.959 0.914 1
1 951 . 20 1 1 A 85 85 ILE CB C 85 37.146 38.577 -1.431 1
1 955 . 20 1 1 A 85 85 ILE N N 85 119.409 121.342 -1.933 1
1 956 . 20 1 1 A 86 86 GLY H H 86 9.239 8.672 0.567 1
1 957 . 20 1 1 A 86 86 GLY HA2 H 86 4.401 3.877 0.524 1
1 958 . 20 1 1 A 86 86 GLY HA3 H 86 3.411 3.878 -0.467 1
1 959 . 20 1 1 A 86 86 GLY CA C 86 44.869 45.988 -1.119 1
1 960 . 20 1 1 A 86 86 GLY N N 86 117.321 115.022 2.299 1
1 961 . 20 1 1 A 87 87 ASP H H 87 7.968 8.107 -0.139 1
1 962 . 20 1 1 A 87 87 ASP HA H 87 4.607 5.034 -0.427 1
1 965 . 20 1 1 A 87 87 ASP CA C 87 54.886 53.123 1.763 1
1 966 . 20 1 1 A 87 87 ASP CB C 87 40.771 42.792 -2.021 1
1 967 . 20 1 1 A 87 87 ASP N N 87 121.490 120.173 1.317 1
1 968 . 20 1 1 A 88 88 TYR H H 88 8.566 9.040 -0.474 1
1 969 . 20 1 1 A 88 88 TYR HA H 88 4.712 4.952 -0.240 1
1 976 . 20 1 1 A 88 88 TYR CA C 88 57.826 57.301 0.525 1
1 977 . 20 1 1 A 88 88 TYR CB C 88 39.243 39.751 -0.508 1
1 978 . 20 1 1 A 88 88 TYR N N 88 122.340 124.466 -2.126 1
1 979 . 20 1 1 A 89 89 VAL H H 89 8.951 9.070 -0.119 1
1 980 . 20 1 1 A 89 89 VAL HA H 89 4.578 4.636 -0.058 1
1 988 . 20 1 1 A 89 89 VAL CA C 89 58.339 59.301 -0.962 1
1 989 . 20 1 1 A 89 89 VAL CB C 89 34.321 33.924 0.397 1
1 992 . 20 1 1 A 89 89 VAL N N 89 121.914 122.626 -0.712 1
1 993 . 20 1 1 A 90 90 SER H H 90 8.777 8.674 0.103 1
1 994 . 20 1 1 A 90 90 SER HA H 90 4.750 4.665 0.085 1
1 997 . 20 1 1 A 90 90 SER CA C 90 56.895 57.481 -0.586 1
1 998 . 20 1 1 A 90 90 SER CB C 90 64.866 63.583 1.283 1
1 999 . 20 1 1 A 90 90 SER N N 90 114.813 120.301 -5.488 1
1 1000 . 20 1 1 A 91 91 ALA H H 91 8.712 8.285 0.427 1
1 1001 . 20 1 1 A 91 91 ALA HA H 91 3.515 3.848 -0.333 1
1 1005 . 20 1 1 A 91 91 ALA CA C 91 53.317 54.016 -0.699 1
1 1006 . 20 1 1 A 91 91 ALA CB C 91 18.678 17.763 0.915 1
1 1007 . 20 1 1 A 91 91 ALA N N 91 129.870 126.536 3.334 1
1 1008 . 20 1 1 A 92 92 SER H H 92 9.170 8.740 0.430 1
1 1009 . 20 1 1 A 92 92 SER HA H 92 3.817 4.110 -0.293 1
1 1012 . 20 1 1 A 92 92 SER CA C 92 60.652 61.108 -0.456 1
1 1013 . 20 1 1 A 92 92 SER CB C 92 62.505 62.612 -0.107 1
1 1014 . 20 1 1 A 92 92 SER N N 92 113.294 115.034 -1.740 1
1 1015 . 20 1 1 A 93 93 THR H H 93 7.816 7.401 0.415 1
1 1016 . 20 1 1 A 93 93 THR HA H 93 4.402 4.104 0.298 1
1 1021 . 20 1 1 A 93 93 THR CA C 93 64.378 66.072 -1.694 1
1 1022 . 20 1 1 A 93 93 THR CB C 93 70.948 68.680 2.268 1
1 1024 . 20 1 1 A 93 93 THR N N 93 113.858 113.993 -0.135 1
1 1025 . 20 1 1 A 94 94 THR H H 94 7.702 7.343 0.359 1
1 1026 . 20 1 1 A 94 94 THR HA H 94 3.910 4.212 -0.302 1
1 1031 . 20 1 1 A 94 94 THR CA C 94 65.140 62.566 2.574 1
1 1032 . 20 1 1 A 94 94 THR CB C 94 70.001 69.436 0.565 1
1 1034 . 20 1 1 A 94 94 THR N N 94 119.588 116.726 2.862 1
1 1035 . 20 1 1 A 95 95 GLU H H 95 8.407 8.263 0.144 1
1 1036 . 20 1 1 A 95 95 GLU HA H 95 3.801 4.831 -1.030 1
1 1041 . 20 1 1 A 95 95 GLU CA C 95 56.613 55.262 1.351 1
1 1042 . 20 1 1 A 95 95 GLU CB C 95 29.600 30.920 -1.320 1
1 1044 . 20 1 1 A 95 95 GLU N N 95 124.764 126.404 -1.640 1
1 1045 . 20 1 1 A 96 96 LEU H H 96 8.750 8.852 -0.102 1
1 1046 . 20 1 1 A 96 96 LEU HA H 96 4.260 4.159 0.101 1
1 1056 . 20 1 1 A 96 96 LEU CA C 96 56.927 56.018 0.909 1
1 1057 . 20 1 1 A 96 96 LEU CB C 96 43.310 41.900 1.410 1
1 1061 . 20 1 1 A 96 96 LEU N N 96 120.035 124.525 -4.490 1
1 1062 . 20 1 1 A 97 97 VAL H H 97 7.053 7.768 -0.715 1
1 1063 . 20 1 1 A 97 97 VAL HA H 97 4.345 4.633 -0.288 1
1 1071 . 20 1 1 A 97 97 VAL CA C 97 61.291 59.657 1.634 1
1 1072 . 20 1 1 A 97 97 VAL CB C 97 31.577 35.875 -4.298 1
1 1075 . 20 1 1 A 97 97 VAL N N 97 112.365 115.691 -3.326 1
1 1076 . 20 1 1 A 98 98 ARG H H 98 8.980 8.863 0.117 1
1 1077 . 20 1 1 A 98 98 ARG HA H 98 5.267 4.996 0.271 1
1 1084 . 20 1 1 A 98 98 ARG CA C 98 55.195 54.188 1.007 1
1 1085 . 20 1 1 A 98 98 ARG CB C 98 32.818 34.013 -1.195 1
1 1088 . 20 1 1 A 98 98 ARG N N 98 127.477 124.081 3.396 1
1 1089 . 20 1 1 A 99 99 VAL H H 99 8.887 8.939 -0.052 1
1 1090 . 20 1 1 A 99 99 VAL HA H 99 4.556 4.869 -0.313 1
1 1095 . 20 1 1 A 99 99 VAL CA C 99 60.968 61.215 -0.247 1
1 1096 . 20 1 1 A 99 99 VAL CB C 99 34.186 33.882 0.304 1
1 1098 . 20 1 1 A 99 99 VAL N N 99 122.826 122.759 0.067 1
1 1099 . 20 1 1 A 100 100 THR H H 100 8.833 9.249 -0.416 1
1 1100 . 20 1 1 A 100 100 THR HA H 100 4.559 4.982 -0.423 1
1 1105 . 20 1 1 A 100 100 THR CA C 100 61.080 60.726 0.354 1
1 1106 . 20 1 1 A 100 100 THR CB C 100 70.669 72.556 -1.887 1
1 1108 . 20 1 1 A 100 100 THR N N 100 121.816 120.950 0.866 1
1 1109 . 20 1 1 A 101 101 ASN H H 101 8.153 8.911 -0.758 1
1 1110 . 20 1 1 A 101 101 ASN HA H 101 4.518 4.346 0.172 1
1 1115 . 20 1 1 A 101 101 ASN CA C 101 54.238 53.748 0.490 1
1 1116 . 20 1 1 A 101 101 ASN CB C 101 38.470 37.119 1.351 1
1 1117 . 20 1 1 A 101 101 ASN N N 101 122.733 121.896 0.837 1
1 1119 . 20 1 1 A 102 102 LEU H H 102 8.160 8.076 0.084 1
1 1120 . 20 1 1 A 102 102 LEU HA H 102 4.245 4.556 -0.311 1
1 1130 . 20 1 1 A 102 102 LEU CA C 102 55.449 55.467 -0.018 1
1 1131 . 20 1 1 A 102 102 LEU CB C 102 42.549 43.437 -0.888 1
1 1135 . 20 1 1 A 102 102 LEU N N 102 122.544 121.287 1.257 1
1 1136 . 20 1 1 A 103 103 ASN H H 103 8.405 7.895 0.510 1
1 1137 . 20 1 1 A 103 103 ASN HA H 103 4.867 4.749 0.118 1
1 1142 . 20 1 1 A 103 103 ASN CA C 103 51.316 51.899 -0.583 1
1 1143 . 20 1 1 A 103 103 ASN CB C 103 39.049 37.382 1.667 1
1 1144 . 20 1 1 A 103 103 ASN N N 103 120.174 118.650 1.524 1
1 1146 . 20 1 1 A 104 104 PRO HA H 104 4.230 4.585 -0.355 1
1 1153 . 20 1 1 A 104 104 PRO CA C 104 63.559 62.436 1.123 1
1 1154 . 20 1 1 A 104 104 PRO CB C 104 32.102 30.680 1.422 1
1 1157 . 20 1 1 A 105 105 ILE H H 105 7.886 8.348 -0.462 1
1 1158 . 20 1 1 A 105 105 ILE HA H 105 3.941 4.083 -0.142 1
1 1168 . 20 1 1 A 105 105 ILE CA C 105 61.348 60.706 0.642 1
1 1169 . 20 1 1 A 105 105 ILE CB C 105 38.569 38.376 0.193 1
1 1173 . 20 1 1 A 105 105 ILE N N 105 119.390 123.720 -4.330 1
1 1174 . 20 1 1 A 106 106 TYR H H 106 7.961 8.703 -0.742 1
1 1175 . 20 1 1 A 106 106 TYR HA H 106 4.536 4.777 -0.241 1
1 1182 . 20 1 1 A 106 106 TYR CA C 106 57.370 59.030 -1.660 1
1 1183 . 20 1 1 A 106 106 TYR CB C 106 38.889 40.540 -1.651 1
1 1184 . 20 1 1 A 106 106 TYR N N 106 123.172 124.238 -1.066 1
1 1185 . 20 1 1 A 107 107 ALA H H 107 8.128 7.779 0.349 1
1 1186 . 20 1 1 A 107 107 ALA HA H 107 4.217 4.250 -0.033 1
1 1190 . 20 1 1 A 107 107 ALA CA C 107 52.724 53.241 -0.517 1
1 1191 . 20 1 1 A 107 107 ALA CB C 107 19.133 19.163 -0.030 1
1 1192 . 20 1 1 A 107 107 ALA N N 107 125.520 122.042 3.478 1
1 1193 . 20 1 1 A 108 108 ASP H H 108 8.147 8.617 -0.470 1
1 1194 . 20 1 1 A 108 108 ASP HA H 108 4.511 4.747 -0.236 1
1 1197 . 20 1 1 A 108 108 ASP CA C 108 54.342 53.229 1.113 1
1 1198 . 20 1 1 A 108 108 ASP CB C 108 41.240 41.653 -0.413 1
1 1199 . 20 1 1 A 108 108 ASP N N 108 119.219 124.092 -4.873 1
1 1200 . 20 1 1 A 109 109 GLY H H 109 8.313 8.290 0.023 1
1 1201 . 20 1 1 A 109 109 GLY HA2 H 109 3.946 4.048 -0.102 1
1 1202 . 20 1 1 A 109 109 GLY HA3 H 109 3.848 4.050 -0.202 1
1 1203 . 20 1 1 A 109 109 GLY CA C 109 45.692 44.453 1.239 1
1 1204 . 20 1 1 A 109 109 GLY N N 109 109.478 107.394 2.084 1
1 1205 . 20 1 1 A 110 110 SER H H 110 8.175 8.582 -0.407 1
1 1206 . 20 1 1 A 110 110 SER HA H 110 4.286 4.098 0.188 1
1 1209 . 20 1 1 A 110 110 SER CA C 110 59.296 60.522 -1.226 1
1 1210 . 20 1 1 A 110 110 SER CB C 110 63.825 63.342 0.483 1
1 1211 . 20 1 1 A 110 110 SER N N 110 115.660 120.419 -4.759 1
1 1212 . 20 1 1 A 111 111 HIS HA H 111 4.527 5.000 -0.473 1
1 1215 . 20 1 1 A 111 111 HIS CA C 111 56.109 55.081 1.028 1
1 1216 . 20 1 1 A 111 111 HIS CB C 111 30.580 31.402 -0.822 1
1 1217 . 20 1 1 A 112 112 HIS HA H 112 4.535 4.714 -0.179 1
1 1220 . 20 1 1 A 112 112 HIS CA C 112 57.411 54.470 2.941 1
1 1221 . 20 1 1 A 112 112 HIS CB C 112 30.756 27.734 3.022 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 111 1.303 1
3 1 1 1 "RMS(OBS, PRED)" CB 104 1.434 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 118 0.391 1
6 1 1 1 "RMS(OBS, PRED)" N 106 2.921 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 111 1.296 1
9 1 2 1 "RMS(OBS, PRED)" CB 104 1.554 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.480 1
11 1 2 1 "RMS(OBS, PRED)" HA 118 0.395 1
12 1 2 1 "RMS(OBS, PRED)" N 106 3.293 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 111 1.267 1
15 1 3 1 "RMS(OBS, PRED)" CB 104 1.426 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.427 1
17 1 3 1 "RMS(OBS, PRED)" HA 118 0.394 1
18 1 3 1 "RMS(OBS, PRED)" N 106 2.969 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 111 1.314 1
21 1 4 1 "RMS(OBS, PRED)" CB 104 1.312 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.459 1
23 1 4 1 "RMS(OBS, PRED)" HA 118 0.357 1
24 1 4 1 "RMS(OBS, PRED)" N 106 2.535 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 111 1.316 1
27 1 5 1 "RMS(OBS, PRED)" CB 104 1.385 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.443 1
29 1 5 1 "RMS(OBS, PRED)" HA 118 0.385 1
30 1 5 1 "RMS(OBS, PRED)" N 106 3.074 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 111 1.397 1
33 1 6 1 "RMS(OBS, PRED)" CB 104 1.443 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.509 1
35 1 6 1 "RMS(OBS, PRED)" HA 118 0.369 1
36 1 6 1 "RMS(OBS, PRED)" N 106 3.108 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 111 1.357 1
39 1 7 1 "RMS(OBS, PRED)" CB 104 1.341 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.486 1
41 1 7 1 "RMS(OBS, PRED)" HA 118 0.338 1
42 1 7 1 "RMS(OBS, PRED)" N 106 2.895 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 111 1.195 1
45 1 8 1 "RMS(OBS, PRED)" CB 104 1.327 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.462 1
47 1 8 1 "RMS(OBS, PRED)" HA 118 0.360 1
48 1 8 1 "RMS(OBS, PRED)" N 106 3.141 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 111 1.258 1
51 1 9 1 "RMS(OBS, PRED)" CB 104 1.528 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.475 1
53 1 9 1 "RMS(OBS, PRED)" HA 118 0.389 1
54 1 9 1 "RMS(OBS, PRED)" N 106 3.260 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 111 1.296 1
57 1 10 1 "RMS(OBS, PRED)" CB 104 1.335 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.500 1
59 1 10 1 "RMS(OBS, PRED)" HA 118 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 106 2.976 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 111 1.331 1
63 1 11 1 "RMS(OBS, PRED)" CB 104 1.469 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.500 1
65 1 11 1 "RMS(OBS, PRED)" HA 118 0.364 1
66 1 11 1 "RMS(OBS, PRED)" N 106 2.904 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 111 1.363 1
69 1 12 1 "RMS(OBS, PRED)" CB 104 1.519 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.473 1
71 1 12 1 "RMS(OBS, PRED)" HA 118 0.358 1
72 1 12 1 "RMS(OBS, PRED)" N 106 2.892 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 111 1.272 1
75 1 13 1 "RMS(OBS, PRED)" CB 104 1.469 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.462 1
77 1 13 1 "RMS(OBS, PRED)" HA 118 0.383 1
78 1 13 1 "RMS(OBS, PRED)" N 106 3.267 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 111 1.381 1
81 1 14 1 "RMS(OBS, PRED)" CB 104 1.413 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.423 1
83 1 14 1 "RMS(OBS, PRED)" HA 118 0.365 1
84 1 14 1 "RMS(OBS, PRED)" N 106 2.953 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 111 1.360 1
87 1 15 1 "RMS(OBS, PRED)" CB 104 1.409 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.508 1
89 1 15 1 "RMS(OBS, PRED)" HA 118 0.391 1
90 1 15 1 "RMS(OBS, PRED)" N 106 2.935 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 111 1.341 1
93 1 16 1 "RMS(OBS, PRED)" CB 104 1.572 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.502 1
95 1 16 1 "RMS(OBS, PRED)" HA 118 0.404 1
96 1 16 1 "RMS(OBS, PRED)" N 106 2.961 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 111 1.305 1
99 1 17 1 "RMS(OBS, PRED)" CB 104 1.342 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.496 1
101 1 17 1 "RMS(OBS, PRED)" HA 118 0.355 1
102 1 17 1 "RMS(OBS, PRED)" N 106 3.299 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 111 1.425 1
105 1 18 1 "RMS(OBS, PRED)" CB 104 1.392 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.439 1
107 1 18 1 "RMS(OBS, PRED)" HA 118 0.391 1
108 1 18 1 "RMS(OBS, PRED)" N 106 2.932 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 111 1.211 1
111 1 19 1 "RMS(OBS, PRED)" CB 104 1.378 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.481 1
113 1 19 1 "RMS(OBS, PRED)" HA 118 0.386 1
114 1 19 1 "RMS(OBS, PRED)" N 106 3.064 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 111 1.221 1
117 1 20 1 "RMS(OBS, PRED)" CB 104 1.441 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.439 1
119 1 20 1 "RMS(OBS, PRED)" HA 118 0.353 1
120 1 20 1 "RMS(OBS, PRED)" N 106 3.083 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 2 . 1 1 A 2 2 VAL H H 2 8.613 7.953 0.660 2
1 3 . 1 1 A 2 2 VAL HA H 2 4.487 4.823 -0.336 2
1 11 . 1 1 A 2 2 VAL CA C 2 61.103 60.342 0.761 2
1 12 . 1 1 A 2 2 VAL CB C 2 35.731 35.672 0.059 2
1 15 . 1 1 A 2 2 VAL N N 2 117.956 120.087 -2.131 2
1 16 . 1 1 A 3 3 ILE H H 3 8.439 8.886 -0.448 2
1 17 . 1 1 A 3 3 ILE HA H 3 4.498 4.748 -0.250 2
1 27 . 1 1 A 3 3 ILE CA C 3 60.172 59.740 0.432 2
1 28 . 1 1 A 3 3 ILE CB C 3 38.528 40.376 -1.848 2
1 32 . 1 1 A 3 3 ILE N N 3 125.643 125.970 -0.327 2
1 33 . 1 1 A 4 4 ILE H H 4 8.543 8.625 -0.082 2
1 34 . 1 1 A 4 4 ILE HA H 4 4.005 4.394 -0.389 2
1 44 . 1 1 A 4 4 ILE CA C 4 61.550 60.890 0.660 2
1 45 . 1 1 A 4 4 ILE CB C 4 38.038 37.785 0.253 2
1 49 . 1 1 A 4 4 ILE N N 4 127.460 127.829 -0.369 2
1 50 . 1 1 A 5 5 LYS H H 5 8.292 8.682 -0.390 2
1 51 . 1 1 A 5 5 LYS HA H 5 5.173 4.716 0.457 2
1 60 . 1 1 A 5 5 LYS CA C 5 53.276 52.979 0.297 2
1 61 . 1 1 A 5 5 LYS CB C 5 33.713 34.387 -0.674 2
1 65 . 1 1 A 5 5 LYS N N 5 126.677 126.414 0.263 2
1 66 . 1 1 A 6 6 PRO HA H 6 4.383 4.576 -0.193 2
1 73 . 1 1 A 6 6 PRO CA C 6 62.444 62.762 -0.318 2
1 74 . 1 1 A 6 6 PRO CB C 6 32.018 32.846 -0.828 2
1 77 . 1 1 A 7 7 GLN H H 7 9.359 8.367 0.992 2
1 78 . 1 1 A 7 7 GLN HA H 7 4.406 4.394 0.012 2
1 85 . 1 1 A 7 7 GLN CA C 7 56.357 56.005 0.352 2
1 86 . 1 1 A 7 7 GLN CB C 7 28.784 29.321 -0.537 2
1 88 . 1 1 A 7 7 GLN N N 7 119.975 118.444 1.531 2
1 90 . 1 1 A 8 8 VAL H H 8 7.032 7.473 -0.441 2
1 91 . 1 1 A 8 8 VAL HA H 8 4.486 4.728 -0.242 2
1 99 . 1 1 A 8 8 VAL CA C 8 58.874 58.971 -0.097 2
1 100 . 1 1 A 8 8 VAL CB C 8 35.169 35.778 -0.609 2
1 103 . 1 1 A 8 8 VAL N N 8 111.122 116.561 -5.439 2
1 104 . 1 1 A 9 9 SER H H 9 8.210 8.628 -0.418 2
1 105 . 1 1 A 9 9 SER HA H 9 4.957 5.094 -0.137 2
1 108 . 1 1 A 9 9 SER CA C 9 56.585 57.144 -0.559 2
1 109 . 1 1 A 9 9 SER CB C 9 64.442 64.553 -0.111 2
1 110 . 1 1 A 9 9 SER N N 9 115.043 117.628 -2.585 2
1 111 . 1 1 A 10 10 GLY H H 10 8.003 7.867 0.136 2
1 112 . 1 1 A 10 10 GLY HA2 H 10 4.412 4.158 0.254 2
1 113 . 1 1 A 10 10 GLY HA3 H 10 3.645 4.205 -0.560 2
1 114 . 1 1 A 10 10 GLY CA C 10 45.292 45.961 -0.669 2
1 115 . 1 1 A 10 10 GLY N N 10 108.708 110.418 -1.710 2
1 116 . 1 1 A 11 11 VAL H H 11 8.006 7.982 0.024 2
1 117 . 1 1 A 11 11 VAL HA H 11 4.743 4.828 -0.085 2
1 125 . 1 1 A 11 11 VAL CA C 11 60.539 60.363 0.176 2
1 126 . 1 1 A 11 11 VAL CB C 11 34.951 35.663 -0.712 2
1 129 . 1 1 A 11 11 VAL N N 11 118.308 120.224 -1.916 2
1 130 . 1 1 A 12 12 ILE H H 12 8.459 8.624 -0.165 2
1 131 . 1 1 A 12 12 ILE HA H 12 4.050 4.274 -0.224 2
1 141 . 1 1 A 12 12 ILE CA C 12 60.287 62.414 -2.127 2
1 142 . 1 1 A 12 12 ILE CB C 12 35.650 38.019 -2.369 2
1 146 . 1 1 A 12 12 ILE N N 12 125.265 126.299 -1.034 2
1 147 . 1 1 A 13 13 VAL H H 13 8.908 9.415 -0.507 2
1 148 . 1 1 A 13 13 VAL HA H 13 4.500 4.205 0.295 2
1 156 . 1 1 A 13 13 VAL CA C 13 62.126 63.370 -1.244 2
1 157 . 1 1 A 13 13 VAL CB C 13 33.291 33.305 -0.014 2
1 160 . 1 1 A 13 13 VAL N N 13 124.479 126.132 -1.653 2
1 161 . 1 1 A 14 14 ASN H H 14 7.653 7.571 0.082 2
1 162 . 1 1 A 14 14 ASN HA H 14 4.819 5.103 -0.284 2
1 167 . 1 1 A 14 14 ASN CA C 14 52.806 52.534 0.272 2
1 168 . 1 1 A 14 14 ASN CB C 14 41.978 41.941 0.037 2
1 169 . 1 1 A 14 14 ASN N N 14 114.961 114.771 0.190 2
1 171 . 1 1 A 15 15 LYS H H 15 8.404 8.650 -0.246 2
1 172 . 1 1 A 15 15 LYS HA H 15 4.641 4.951 -0.310 2
1 179 . 1 1 A 15 15 LYS CA C 15 55.935 54.858 1.077 2
1 180 . 1 1 A 15 15 LYS CB C 15 35.274 34.417 0.857 2
1 183 . 1 1 A 15 15 LYS N N 15 123.768 119.983 3.785 2
1 184 . 1 1 A 16 16 LEU H H 16 8.020 8.811 -0.791 2
1 185 . 1 1 A 16 16 LEU HA H 16 4.611 4.489 0.122 2
1 195 . 1 1 A 16 16 LEU CA C 16 55.124 54.009 1.115 2
1 196 . 1 1 A 16 16 LEU CB C 16 41.308 40.413 0.895 2
1 200 . 1 1 A 16 16 LEU N N 16 126.162 126.327 -0.165 2
1 201 . 1 1 A 17 17 PHE H H 17 6.573 7.690 -1.117 2
1 202 . 1 1 A 17 17 PHE HA H 17 4.862 5.122 -0.260 2
1 207 . 1 1 A 17 17 PHE CA C 17 55.528 55.570 -0.042 2
1 208 . 1 1 A 17 17 PHE CB C 17 41.093 42.066 -0.973 2
1 209 . 1 1 A 17 17 PHE N N 17 113.628 116.387 -2.759 2
1 210 . 1 1 A 18 18 LYS H H 18 8.655 8.516 0.139 2
1 211 . 1 1 A 18 18 LYS HA H 18 4.333 4.541 -0.208 2
1 220 . 1 1 A 18 18 LYS CA C 18 54.277 54.079 0.198 2
1 221 . 1 1 A 18 18 LYS CB C 18 35.134 35.964 -0.830 2
1 225 . 1 1 A 18 18 LYS N N 18 120.572 118.912 1.660 2
1 226 . 1 1 A 19 19 ALA H H 19 8.407 8.364 0.043 2
1 227 . 1 1 A 19 19 ALA HA H 19 3.962 4.678 -0.716 2
1 231 . 1 1 A 19 19 ALA CA C 19 53.980 52.726 1.254 2
1 232 . 1 1 A 19 19 ALA CB C 19 18.497 19.209 -0.712 2
1 233 . 1 1 A 19 19 ALA N N 19 123.842 124.948 -1.106 2
1 234 . 1 1 A 20 20 GLY H H 20 8.814 8.606 0.208 2
1 235 . 1 1 A 20 20 GLY HA2 H 20 4.313 3.914 0.399 2
1 236 . 1 1 A 20 20 GLY HA3 H 20 3.532 3.931 -0.399 2
1 237 . 1 1 A 20 20 GLY CA C 20 45.045 45.601 -0.556 2
1 238 . 1 1 A 20 20 GLY N N 20 112.434 111.484 0.950 2
1 239 . 1 1 A 21 21 ASP H H 21 7.933 7.966 -0.033 2
1 240 . 1 1 A 21 21 ASP HA H 21 4.499 4.966 -0.467 2
1 243 . 1 1 A 21 21 ASP CA C 21 55.383 53.154 2.229 2
1 244 . 1 1 A 21 21 ASP CB C 21 41.067 43.057 -1.990 2
1 245 . 1 1 A 21 21 ASP N N 21 121.505 120.580 0.925 2
1 246 . 1 1 A 22 22 LYS H H 22 8.311 8.432 -0.121 2
1 247 . 1 1 A 22 22 LYS HA H 22 4.871 5.003 -0.132 2
1 256 . 1 1 A 22 22 LYS CA C 22 55.659 55.341 0.318 2
1 257 . 1 1 A 22 22 LYS CB C 22 31.820 34.419 -2.599 2
1 261 . 1 1 A 22 22 LYS N N 22 120.225 119.748 0.477 2
1 262 . 1 1 A 23 23 VAL H H 23 8.935 8.923 0.012 2
1 263 . 1 1 A 23 23 VAL HA H 23 4.841 4.981 -0.140 2
1 271 . 1 1 A 23 23 VAL CA C 23 58.502 59.680 -1.178 2
1 272 . 1 1 A 23 23 VAL CB C 23 34.507 35.132 -0.625 2
1 275 . 1 1 A 23 23 VAL N N 23 117.700 119.920 -2.220 2
1 276 . 1 1 A 24 24 LYS H H 24 7.960 8.742 -0.782 2
1 277 . 1 1 A 24 24 LYS HA H 24 4.838 4.981 -0.143 2
1 286 . 1 1 A 24 24 LYS CA C 24 53.195 54.293 -1.098 2
1 287 . 1 1 A 24 24 LYS CB C 24 35.213 35.816 -0.603 2
1 291 . 1 1 A 24 24 LYS N N 24 121.958 123.096 -1.138 2
1 292 . 1 1 A 25 25 LYS H H 25 8.915 8.570 0.345 2
1 293 . 1 1 A 25 25 LYS HA H 25 3.156 4.128 -0.972 2
1 300 . 1 1 A 25 25 LYS CA C 25 58.648 57.505 1.143 2
1 301 . 1 1 A 25 25 LYS CB C 25 32.648 31.552 1.096 2
1 304 . 1 1 A 25 25 LYS N N 25 121.653 123.106 -1.453 2
1 305 . 1 1 A 26 26 GLY H H 26 8.900 8.657 0.243 2
1 306 . 1 1 A 26 26 GLY HA2 H 26 4.283 3.946 0.337 2
1 307 . 1 1 A 26 26 GLY HA3 H 26 3.471 3.955 -0.484 2
1 308 . 1 1 A 26 26 GLY CA C 26 45.263 45.298 -0.035 2
1 309 . 1 1 A 26 26 GLY N N 26 115.268 113.185 2.083 2
1 310 . 1 1 A 27 27 GLN H H 27 8.433 7.945 0.488 2
1 311 . 1 1 A 27 27 GLN HA H 27 4.141 4.402 -0.261 2
1 318 . 1 1 A 27 27 GLN CA C 27 56.324 55.615 0.709 2
1 319 . 1 1 A 27 27 GLN CB C 27 30.520 29.777 0.743 2
1 321 . 1 1 A 27 27 GLN N N 27 123.155 120.765 2.390 2
1 323 . 1 1 A 28 28 THR H H 28 9.110 8.899 0.210 2
1 324 . 1 1 A 28 28 THR HA H 28 3.893 4.244 -0.351 2
1 329 . 1 1 A 28 28 THR CA C 28 65.828 63.976 1.852 2
1 330 . 1 1 A 28 28 THR CB C 28 68.581 69.197 -0.616 2
1 332 . 1 1 A 28 28 THR N N 28 124.748 120.237 4.511 2
1 333 . 1 1 A 29 29 LEU H H 29 9.509 8.929 0.580 2
1 334 . 1 1 A 29 29 LEU HA H 29 4.383 4.618 -0.235 2
1 344 . 1 1 A 29 29 LEU CA C 29 55.795 55.603 0.192 2
1 345 . 1 1 A 29 29 LEU CB C 29 44.572 44.221 0.352 2
1 349 . 1 1 A 29 29 LEU N N 29 125.873 126.641 -0.768 2
1 350 . 1 1 A 30 30 PHE H H 30 7.579 7.725 -0.146 2
1 351 . 1 1 A 30 30 PHE HA H 30 5.367 5.254 0.113 2
1 359 . 1 1 A 30 30 PHE CA C 30 55.486 56.091 -0.605 2
1 360 . 1 1 A 30 30 PHE CB C 30 44.887 43.284 1.603 2
1 361 . 1 1 A 30 30 PHE N N 30 111.134 115.047 -3.913 2
1 362 . 1 1 A 31 31 ILE H H 31 7.858 8.642 -0.784 2
1 363 . 1 1 A 31 31 ILE HA H 31 4.817 4.871 -0.054 2
1 373 . 1 1 A 31 31 ILE CA C 31 60.063 60.234 -0.171 2
1 374 . 1 1 A 31 31 ILE CB C 31 39.395 42.082 -2.687 2
1 378 . 1 1 A 31 31 ILE N N 31 119.416 119.854 -0.438 2
1 379 . 1 1 A 32 32 ILE H H 32 9.107 8.765 0.342 2
1 380 . 1 1 A 32 32 ILE HA H 32 4.842 5.002 -0.160 2
1 390 . 1 1 A 32 32 ILE CA C 32 59.002 60.022 -1.020 2
1 391 . 1 1 A 32 32 ILE CB C 32 42.048 42.241 -0.193 2
1 395 . 1 1 A 32 32 ILE N N 32 127.892 126.212 1.680 2
1 396 . 1 1 A 33 33 GLU H H 33 9.095 8.846 0.249 2
1 397 . 1 1 A 33 33 GLU HA H 33 4.642 5.086 -0.444 2
1 402 . 1 1 A 33 33 GLU CA C 33 54.985 55.064 -0.079 2
1 403 . 1 1 A 33 33 GLU CB C 33 31.672 31.633 0.039 2
1 405 . 1 1 A 33 33 GLU N N 33 128.157 126.422 1.735 2
1 406 . 1 1 A 34 34 GLN H H 34 8.725 8.714 0.011 2
1 407 . 1 1 A 34 34 GLN HA H 34 4.354 4.780 -0.426 2
1 414 . 1 1 A 34 34 GLN CA C 34 56.807 54.873 1.934 2
1 415 . 1 1 A 34 34 GLN CB C 34 30.119 30.818 -0.699 2
1 417 . 1 1 A 34 34 GLN N N 34 128.123 123.059 5.064 2
1 419 . 1 1 A 35 35 ASP H H 35 8.524 8.722 -0.198 2
1 420 . 1 1 A 35 35 ASP HA H 35 4.609 4.721 -0.112 2
1 423 . 1 1 A 35 35 ASP CA C 35 54.226 54.470 -0.244 2
1 424 . 1 1 A 35 35 ASP CB C 35 41.429 41.338 0.091 2
1 425 . 1 1 A 35 35 ASP N N 35 122.485 119.746 2.739 2
1 426 . 1 1 A 36 36 GLN H H 36 8.576 8.019 0.557 2
1 427 . 1 1 A 36 36 GLN HA H 36 4.041 4.372 -0.331 2
1 434 . 1 1 A 36 36 GLN CA C 36 56.662 56.572 0.090 2
1 435 . 1 1 A 36 36 GLN CB C 36 29.166 28.450 0.716 2
1 437 . 1 1 A 36 36 GLN N N 36 123.321 118.120 5.201 2
1 439 . 1 1 A 37 37 ALA H H 37 8.322 8.219 0.103 2
1 440 . 1 1 A 37 37 ALA HA H 37 4.232 4.300 -0.068 2
1 444 . 1 1 A 37 37 ALA CA C 37 53.231 53.005 0.226 2
1 445 . 1 1 A 37 37 ALA CB C 37 19.020 19.061 -0.041 2
1 446 . 1 1 A 37 37 ALA N N 37 123.086 123.384 -0.298 2
1 447 . 1 1 A 38 38 SER H H 38 7.919 7.929 -0.010 2
1 448 . 1 1 A 38 38 SER HA H 38 4.283 4.520 -0.237 2
1 451 . 1 1 A 38 38 SER CA C 38 58.884 58.367 0.517 2
1 452 . 1 1 A 38 38 SER CB C 38 63.835 63.702 0.133 2
1 453 . 1 1 A 38 38 SER N N 38 113.578 110.970 2.608 2
1 454 . 1 1 A 39 39 LYS H H 39 8.153 8.512 -0.359 2
1 455 . 1 1 A 39 39 LYS HA H 39 4.140 4.286 -0.146 2
1 463 . 1 1 A 39 39 LYS CA C 39 57.127 58.198 -1.071 2
1 464 . 1 1 A 39 39 LYS CB C 39 32.812 32.732 0.080 2
1 468 . 1 1 A 39 39 LYS N N 39 122.651 123.664 -1.013 2
1 469 . 1 1 A 40 40 ASP H H 40 8.100 8.134 -0.034 2
1 470 . 1 1 A 40 40 ASP HA H 40 4.532 4.673 -0.141 2
1 473 . 1 1 A 40 40 ASP CA C 40 54.376 54.579 -0.203 2
1 474 . 1 1 A 40 40 ASP CB C 40 41.245 41.058 0.187 2
1 475 . 1 1 A 40 40 ASP N N 40 119.441 118.645 0.796 2
1 476 . 1 1 A 41 41 PHE H H 41 7.924 8.079 -0.155 2
1 477 . 1 1 A 41 41 PHE HA H 41 4.384 4.672 -0.288 2
1 484 . 1 1 A 41 41 PHE CA C 41 58.704 58.894 -0.190 2
1 485 . 1 1 A 41 41 PHE CB C 41 39.397 40.306 -0.909 2
1 486 . 1 1 A 41 41 PHE N N 41 121.124 119.282 1.842 2
1 487 . 1 1 A 42 42 ASN H H 42 8.311 8.150 0.161 2
1 488 . 1 1 A 42 42 ASN HA H 42 4.523 4.823 -0.300 2
1 492 . 1 1 A 42 42 ASN CA C 42 53.133 53.602 -0.469 2
1 493 . 1 1 A 42 42 ASN CB C 42 38.801 39.518 -0.717 2
1 494 . 1 1 A 42 42 ASN N N 42 120.181 116.818 3.363 2
1 496 . 1 1 A 43 43 ARG H H 43 8.133 8.494 -0.361 2
1 497 . 1 1 A 43 43 ARG HA H 43 4.115 4.353 -0.238 2
1 504 . 1 1 A 43 43 ARG CA C 43 57.051 56.407 0.644 2
1 505 . 1 1 A 43 43 ARG CB C 43 30.514 30.319 0.195 2
1 508 . 1 1 A 43 43 ARG N N 43 121.727 121.555 0.172 2
1 509 . 1 1 A 44 44 SER H H 44 8.174 8.295 -0.121 2
1 510 . 1 1 A 44 44 SER HA H 44 4.286 4.461 -0.175 2
1 513 . 1 1 A 44 44 SER CA C 44 59.344 58.873 0.471 2
1 514 . 1 1 A 44 44 SER CB C 44 63.357 63.179 0.178 2
1 515 . 1 1 A 44 44 SER N N 44 115.718 115.978 -0.260 2
1 516 . 1 1 A 45 45 LYS H H 45 7.963 8.451 -0.488 2
1 517 . 1 1 A 45 45 LYS HA H 45 4.123 4.169 -0.046 2
1 526 . 1 1 A 45 45 LYS CA C 45 56.866 58.505 -1.639 2
1 527 . 1 1 A 45 45 LYS CB C 45 32.777 32.794 -0.017 2
1 530 . 1 1 A 45 45 LYS N N 45 122.326 122.749 -0.423 2
1 531 . 1 1 A 46 46 ALA H H 46 7.965 7.699 0.266 2
1 532 . 1 1 A 46 46 ALA HA H 46 4.165 4.487 -0.322 2
1 536 . 1 1 A 46 46 ALA CA C 46 52.999 51.678 1.321 2
1 537 . 1 1 A 46 46 ALA CB C 46 18.944 20.752 -1.808 2
1 538 . 1 1 A 46 46 ALA N N 46 123.536 118.593 4.943 2
1 539 . 1 1 A 47 47 LEU H H 47 7.898 8.487 -0.589 2
1 540 . 1 1 A 47 47 LEU HA H 47 4.158 4.688 -0.530 2
1 550 . 1 1 A 47 47 LEU CA C 47 55.583 54.286 1.297 2
1 551 . 1 1 A 47 47 LEU CB C 47 42.404 43.458 -1.054 2
1 555 . 1 1 A 47 47 LEU N N 47 119.914 119.591 0.323 2
1 556 . 1 1 A 48 48 PHE H H 48 7.981 8.483 -0.502 2
1 557 . 1 1 A 48 48 PHE HA H 48 4.539 4.778 -0.239 2
1 564 . 1 1 A 48 48 PHE CA C 48 58.033 57.386 0.647 2
1 565 . 1 1 A 48 48 PHE CB C 48 39.470 39.539 -0.069 2
1 566 . 1 1 A 48 48 PHE N N 48 119.602 120.023 -0.421 2
1 567 . 1 1 A 49 49 SER H H 49 8.028 8.316 -0.288 2
1 568 . 1 1 A 49 49 SER HA H 49 4.332 4.420 -0.088 2
1 571 . 1 1 A 49 49 SER CA C 49 58.581 59.005 -0.425 2
1 572 . 1 1 A 49 49 SER CB C 49 63.866 63.708 0.158 2
1 573 . 1 1 A 49 49 SER N N 49 116.270 115.670 0.600 2
1 574 . 1 1 A 50 50 GLN H H 50 8.266 8.444 -0.178 2
1 575 . 1 1 A 50 50 GLN HA H 50 4.257 4.262 -0.005 2
1 582 . 1 1 A 50 50 GLN CA C 50 56.435 56.906 -0.471 2
1 583 . 1 1 A 50 50 GLN CB C 50 29.204 28.793 0.411 2
1 585 . 1 1 A 50 50 GLN N N 50 121.931 121.846 0.085 2
1 587 . 1 1 A 51 51 SER H H 51 8.147 8.343 -0.196 2
1 588 . 1 1 A 51 51 SER HA H 51 4.338 4.454 -0.116 2
1 591 . 1 1 A 51 51 SER CA C 51 58.645 58.467 0.178 2
1 592 . 1 1 A 51 51 SER CB C 51 63.784 62.372 1.412 2
1 593 . 1 1 A 51 51 SER N N 51 115.676 113.899 1.777 2
1 594 . 1 1 A 52 52 ALA H H 52 8.175 8.214 -0.039 2
1 595 . 1 1 A 52 52 ALA HA H 52 4.265 4.266 -0.002 2
1 599 . 1 1 A 52 52 ALA CA C 52 53.031 54.163 -1.132 2
1 600 . 1 1 A 52 52 ALA CB C 52 18.941 19.680 -0.739 2
1 601 . 1 1 A 52 52 ALA N N 52 125.360 123.302 2.058 2
1 602 . 1 1 A 53 53 ILE H H 53 7.870 7.721 0.149 2
1 603 . 1 1 A 53 53 ILE HA H 53 4.099 4.532 -0.433 2
1 613 . 1 1 A 53 53 ILE CA C 53 61.558 60.252 1.306 2
1 614 . 1 1 A 53 53 ILE CB C 53 38.851 40.279 -1.428 2
1 618 . 1 1 A 53 53 ILE N N 53 118.231 115.500 2.731 2
1 619 . 1 1 A 54 54 SER H H 54 8.159 8.670 -0.511 2
1 620 . 1 1 A 54 54 SER HA H 54 4.384 4.528 -0.144 2
1 623 . 1 1 A 54 54 SER CA C 54 58.551 58.355 0.196 2
1 624 . 1 1 A 54 54 SER CB C 54 63.964 63.139 0.825 2
1 625 . 1 1 A 54 54 SER N N 54 118.588 120.809 -2.221 2
1 626 . 1 1 A 55 55 GLN H H 55 8.301 8.513 -0.212 2
1 627 . 1 1 A 55 55 GLN HA H 55 4.214 3.841 0.373 2
1 634 . 1 1 A 55 55 GLN CA C 55 56.547 58.212 -1.665 2
1 635 . 1 1 A 55 55 GLN CB C 55 29.292 28.190 1.102 2
1 637 . 1 1 A 55 55 GLN N N 55 122.173 124.904 -2.731 2
1 639 . 1 1 A 56 56 LYS H H 56 8.163 8.214 -0.051 2
1 640 . 1 1 A 56 56 LYS HA H 56 4.177 4.151 0.026 2
1 647 . 1 1 A 56 56 LYS CA C 56 56.978 58.466 -1.488 2
1 648 . 1 1 A 56 56 LYS CB C 56 32.855 31.988 0.867 2
1 651 . 1 1 A 56 56 LYS N N 56 121.126 118.279 2.847 2
1 652 . 1 1 A 57 57 GLU H H 57 8.211 8.251 -0.040 2
1 653 . 1 1 A 57 57 GLU HA H 57 4.151 4.484 -0.333 2
1 658 . 1 1 A 57 57 GLU CA C 57 57.058 56.417 0.641 2
1 659 . 1 1 A 57 57 GLU CB C 57 30.211 30.858 -0.647 2
1 661 . 1 1 A 57 57 GLU N N 57 120.615 117.999 2.616 2
1 662 . 1 1 A 58 58 TYR H H 58 8.070 7.807 0.263 2
1 663 . 1 1 A 58 58 TYR HA H 58 4.375 4.737 -0.361 2
1 670 . 1 1 A 58 58 TYR CA C 58 58.570 57.350 1.220 2
1 671 . 1 1 A 58 58 TYR CB C 58 38.962 40.575 -1.613 2
1 672 . 1 1 A 58 58 TYR N N 58 120.822 119.380 1.442 2
1 673 . 1 1 A 59 59 ASP H H 59 8.146 8.702 -0.556 2
1 674 . 1 1 A 59 59 ASP HA H 59 4.492 4.880 -0.388 2
1 677 . 1 1 A 59 59 ASP CA C 59 54.396 52.832 1.564 2
1 678 . 1 1 A 59 59 ASP CB C 59 41.086 43.431 -2.345 2
1 679 . 1 1 A 59 59 ASP N N 59 122.551 121.897 0.654 2
1 680 . 1 1 A 60 60 SER H H 60 8.253 8.753 -0.500 2
1 681 . 1 1 A 60 60 SER HA H 60 4.260 4.245 0.015 2
1 684 . 1 1 A 60 60 SER CA C 60 59.533 60.234 -0.701 2
1 685 . 1 1 A 60 60 SER CB C 60 63.422 63.394 0.028 2
1 686 . 1 1 A 60 60 SER N N 60 117.657 117.469 0.188 2
1 687 . 1 1 A 61 61 SER H H 61 8.344 8.156 0.188 2
1 688 . 1 1 A 61 61 SER HA H 61 4.307 4.240 0.067 2
1 691 . 1 1 A 61 61 SER CA C 61 59.755 61.803 -2.048 2
1 692 . 1 1 A 61 61 SER CB C 61 63.582 62.827 0.755 2
1 693 . 1 1 A 61 61 SER N N 61 118.129 117.234 0.895 2
1 694 . 1 1 A 62 62 LEU H H 62 7.759 7.749 0.010 2
1 695 . 1 1 A 62 62 LEU HA H 62 4.234 4.369 -0.135 2
1 705 . 1 1 A 62 62 LEU CA C 62 55.464 55.908 -0.444 2
1 706 . 1 1 A 62 62 LEU CB C 62 42.238 41.987 0.251 2
1 710 . 1 1 A 62 62 LEU N N 62 122.627 116.435 6.192 2
1 711 . 1 1 A 63 63 ALA H H 63 7.919 7.618 0.301 2
1 712 . 1 1 A 63 63 ALA HA H 63 4.276 4.469 -0.193 2
1 716 . 1 1 A 63 63 ALA CA C 63 52.922 51.625 1.297 2
1 717 . 1 1 A 63 63 ALA CB C 63 19.221 19.851 -0.630 2
1 718 . 1 1 A 63 63 ALA N N 63 123.444 122.467 0.977 2
1 719 . 1 1 A 64 64 THR H H 64 7.890 8.592 -0.702 2
1 720 . 1 1 A 64 64 THR HA H 64 4.217 4.640 -0.423 2
1 725 . 1 1 A 64 64 THR CA C 64 61.787 61.416 0.371 2
1 726 . 1 1 A 64 64 THR CB C 64 69.719 69.961 -0.242 2
1 728 . 1 1 A 64 64 THR N N 64 112.279 114.236 -1.957 2
1 729 . 1 1 A 65 65 LEU H H 65 8.009 8.381 -0.372 2
1 730 . 1 1 A 65 65 LEU HA H 65 4.295 4.550 -0.255 2
1 740 . 1 1 A 65 65 LEU CA C 65 55.345 54.423 0.922 2
1 741 . 1 1 A 65 65 LEU CB C 65 42.412 42.256 0.156 2
1 745 . 1 1 A 65 65 LEU N N 65 123.586 121.420 2.166 2
1 746 . 1 1 A 66 66 ASP H H 66 8.288 8.292 -0.004 2
1 747 . 1 1 A 66 66 ASP HA H 66 4.564 4.466 0.098 2
1 750 . 1 1 A 66 66 ASP CA C 66 54.676 54.614 0.062 2
1 751 . 1 1 A 66 66 ASP CB C 66 41.376 40.898 0.478 2
1 752 . 1 1 A 66 66 ASP N N 66 120.344 121.331 -0.987 2
1 753 . 1 1 A 67 67 HIS H H 67 8.058 8.687 -0.629 2
1 754 . 1 1 A 67 67 HIS HA H 67 5.247 5.145 0.102 2
1 758 . 1 1 A 67 67 HIS CA C 67 55.260 54.778 0.482 2
1 759 . 1 1 A 67 67 HIS CB C 67 31.974 32.814 -0.840 2
1 760 . 1 1 A 67 67 HIS N N 67 119.406 120.203 -0.797 2
1 761 . 1 1 A 68 68 THR H H 68 8.919 9.155 -0.236 2
1 762 . 1 1 A 68 68 THR HA H 68 4.484 4.783 -0.299 2
1 767 . 1 1 A 68 68 THR CA C 68 62.542 61.638 0.904 2
1 768 . 1 1 A 68 68 THR CB C 68 71.067 70.112 0.955 2
1 770 . 1 1 A 68 68 THR N N 68 117.233 116.841 0.392 2
1 771 . 1 1 A 69 69 GLU H H 69 8.649 8.778 -0.129 2
1 772 . 1 1 A 69 69 GLU HA H 69 4.703 4.580 0.124 2
1 777 . 1 1 A 69 69 GLU CA C 69 55.886 56.395 -0.509 2
1 778 . 1 1 A 69 69 GLU CB C 69 31.746 30.263 1.483 2
1 780 . 1 1 A 69 69 GLU N N 69 124.187 126.588 -2.400 2
1 781 . 1 1 A 70 70 ILE H H 70 8.601 8.979 -0.378 2
1 782 . 1 1 A 70 70 ILE HA H 70 4.405 4.426 -0.021 2
1 792 . 1 1 A 70 70 ILE CA C 70 59.234 60.984 -1.750 2
1 793 . 1 1 A 70 70 ILE CB C 70 37.318 37.442 -0.124 2
1 797 . 1 1 A 70 70 ILE N N 70 123.482 125.899 -2.417 2
1 798 . 1 1 A 71 71 LYS H H 71 8.926 8.455 0.471 2
1 799 . 1 1 A 71 71 LYS HA H 71 5.078 4.989 0.090 2
1 806 . 1 1 A 71 71 LYS CA C 71 54.584 55.203 -0.619 2
1 807 . 1 1 A 71 71 LYS CB C 71 36.281 34.194 2.087 2
1 810 . 1 1 A 71 71 LYS N N 71 128.267 126.188 2.079 2
1 811 . 1 1 A 72 72 ALA H H 72 8.633 8.618 0.015 2
1 812 . 1 1 A 72 72 ALA HA H 72 4.067 4.412 -0.345 2
1 816 . 1 1 A 72 72 ALA CA C 72 49.967 50.735 -0.768 2
1 817 . 1 1 A 72 72 ALA CB C 72 17.255 17.967 -0.712 2
1 818 . 1 1 A 72 72 ALA N N 72 123.088 123.950 -0.862 2
1 819 . 1 1 A 73 73 PRO HA H 73 4.333 4.332 0.001 2
1 826 . 1 1 A 73 73 PRO CA C 73 63.716 64.419 -0.703 2
1 827 . 1 1 A 73 73 PRO CB C 73 31.915 31.729 0.186 2
1 830 . 1 1 A 74 74 PHE H H 74 6.768 7.035 -0.267 2
1 831 . 1 1 A 74 74 PHE HA H 74 4.421 4.862 -0.441 2
1 838 . 1 1 A 74 74 PHE CA C 74 54.396 56.370 -1.974 2
1 839 . 1 1 A 74 74 PHE CB C 74 40.697 40.660 0.037 2
1 840 . 1 1 A 74 74 PHE N N 74 112.022 112.543 -0.521 2
1 841 . 1 1 A 75 75 ASP H H 75 8.583 8.688 -0.105 2
1 842 . 1 1 A 75 75 ASP HA H 75 4.922 4.739 0.183 2
1 845 . 1 1 A 75 75 ASP CA C 75 53.873 54.701 -0.828 2
1 846 . 1 1 A 75 75 ASP CB C 75 40.839 41.537 -0.698 2
1 847 . 1 1 A 75 75 ASP N N 75 118.252 120.222 -1.970 2
1 848 . 1 1 A 76 76 GLY H H 76 8.348 8.159 0.189 2
1 849 . 1 1 A 76 76 GLY HA2 H 76 4.236 4.256 -0.020 2
1 850 . 1 1 A 76 76 GLY HA3 H 76 4.075 4.299 -0.224 2
1 851 . 1 1 A 76 76 GLY CA C 76 46.639 45.521 1.118 2
1 852 . 1 1 A 76 76 GLY N N 76 108.729 108.132 0.597 2
1 853 . 1 1 A 77 77 THR H H 77 8.623 8.393 0.230 2
1 854 . 1 1 A 77 77 THR HA H 77 4.975 5.028 -0.053 2
1 859 . 1 1 A 77 77 THR CA C 77 61.752 61.683 0.069 2
1 860 . 1 1 A 77 77 THR CB C 77 70.121 70.960 -0.839 2
1 862 . 1 1 A 77 77 THR N N 77 116.400 116.139 0.261 2
1 863 . 1 1 A 78 78 ILE H H 78 8.824 8.866 -0.042 2
1 864 . 1 1 A 78 78 ILE HA H 78 4.673 4.924 -0.251 2
1 874 . 1 1 A 78 78 ILE CA C 78 60.164 59.825 0.339 2
1 875 . 1 1 A 78 78 ILE CB C 78 42.973 40.960 2.013 2
1 879 . 1 1 A 78 78 ILE N N 78 129.310 127.928 1.382 2
1 880 . 1 1 A 79 79 GLY H H 79 8.060 8.432 -0.372 2
1 881 . 1 1 A 79 79 GLY HA2 H 79 4.404 4.140 0.264 2
1 882 . 1 1 A 79 79 GLY HA3 H 79 3.775 4.147 -0.372 2
1 883 . 1 1 A 79 79 GLY CA C 79 44.149 44.701 -0.552 2
1 884 . 1 1 A 79 79 GLY N N 79 114.539 115.772 -1.233 2
1 885 . 1 1 A 80 80 ASP H H 80 7.804 8.452 -0.648 2
1 886 . 1 1 A 80 80 ASP HA H 80 4.703 5.176 -0.473 2
1 889 . 1 1 A 80 80 ASP CA C 80 53.703 53.164 0.539 2
1 890 . 1 1 A 80 80 ASP CB C 80 41.918 42.295 -0.377 2
1 891 . 1 1 A 80 80 ASP N N 80 113.688 120.318 -6.630 2
1 892 . 1 1 A 81 81 ALA H H 81 8.566 8.885 -0.319 2
1 893 . 1 1 A 81 81 ALA HA H 81 4.571 4.749 -0.178 2
1 897 . 1 1 A 81 81 ALA CA C 81 53.312 52.126 1.186 2
1 898 . 1 1 A 81 81 ALA CB C 81 20.381 20.111 0.270 2
1 899 . 1 1 A 81 81 ALA N N 81 124.136 125.209 -1.073 2
1 900 . 1 1 A 82 82 LEU H H 82 8.747 8.756 -0.009 2
1 901 . 1 1 A 82 82 LEU HA H 82 4.345 4.483 -0.138 2
1 910 . 1 1 A 82 82 LEU CA C 82 55.210 55.857 -0.647 2
1 911 . 1 1 A 82 82 LEU CB C 82 41.457 43.301 -1.844 2
1 914 . 1 1 A 82 82 LEU N N 82 121.773 121.409 0.364 2
1 915 . 1 1 A 83 83 VAL H H 83 7.141 7.414 -0.273 2
1 916 . 1 1 A 83 83 VAL HA H 83 4.496 4.701 -0.205 2
1 924 . 1 1 A 83 83 VAL CA C 83 58.502 59.771 -1.269 2
1 925 . 1 1 A 83 83 VAL CB C 83 35.229 34.464 0.765 2
1 928 . 1 1 A 83 83 VAL N N 83 108.169 114.537 -6.368 2
1 929 . 1 1 A 84 84 ASN H H 84 9.076 8.797 0.279 2
1 930 . 1 1 A 84 84 ASN HA H 84 4.887 5.288 -0.401 2
1 935 . 1 1 A 84 84 ASN CA C 84 51.248 51.673 -0.425 2
1 936 . 1 1 A 84 84 ASN CB C 84 41.989 41.856 0.133 2
1 937 . 1 1 A 84 84 ASN N N 84 119.502 118.473 1.029 2
1 939 . 1 1 A 85 85 ILE H H 85 8.404 8.432 -0.028 2
1 940 . 1 1 A 85 85 ILE HA H 85 3.393 4.019 -0.626 2
1 950 . 1 1 A 85 85 ILE CA C 85 63.873 62.837 1.036 2
1 951 . 1 1 A 85 85 ILE CB C 85 37.146 38.505 -1.359 2
1 955 . 1 1 A 85 85 ILE N N 85 119.409 121.392 -1.983 2
1 956 . 1 1 A 86 86 GLY H H 86 9.239 8.662 0.577 2
1 957 . 1 1 A 86 86 GLY HA2 H 86 4.401 3.907 0.494 2
1 958 . 1 1 A 86 86 GLY HA3 H 86 3.411 3.912 -0.501 2
1 959 . 1 1 A 86 86 GLY CA C 86 44.869 45.804 -0.935 2
1 960 . 1 1 A 86 86 GLY N N 86 117.321 115.418 1.903 2
1 961 . 1 1 A 87 87 ASP H H 87 7.968 8.088 -0.120 2
1 962 . 1 1 A 87 87 ASP HA H 87 4.607 4.935 -0.328 2
1 965 . 1 1 A 87 87 ASP CA C 87 54.886 53.270 1.615 2
1 966 . 1 1 A 87 87 ASP CB C 87 40.771 42.472 -1.701 2
1 967 . 1 1 A 87 87 ASP N N 87 121.490 120.853 0.637 2
1 968 . 1 1 A 88 88 TYR H H 88 8.566 8.981 -0.415 2
1 969 . 1 1 A 88 88 TYR HA H 88 4.712 4.852 -0.140 2
1 976 . 1 1 A 88 88 TYR CA C 88 57.826 59.342 -1.516 2
1 977 . 1 1 A 88 88 TYR CB C 88 39.243 39.207 0.036 2
1 978 . 1 1 A 88 88 TYR N N 88 122.340 126.529 -4.189 2
1 979 . 1 1 A 89 89 VAL H H 89 8.951 8.390 0.561 2
1 980 . 1 1 A 89 89 VAL HA H 89 4.578 4.762 -0.184 2
1 988 . 1 1 A 89 89 VAL CA C 89 58.339 59.408 -1.069 2
1 989 . 1 1 A 89 89 VAL CB C 89 34.321 34.938 -0.617 2
1 992 . 1 1 A 89 89 VAL N N 89 121.914 121.673 0.241 2
1 993 . 1 1 A 90 90 SER H H 90 8.777 8.846 -0.069 2
1 994 . 1 1 A 90 90 SER HA H 90 4.750 4.600 0.150 2
1 997 . 1 1 A 90 90 SER CA C 90 56.895 57.352 -0.457 2
1 998 . 1 1 A 90 90 SER CB C 90 64.866 64.628 0.238 2
1 999 . 1 1 A 90 90 SER N N 90 114.813 119.156 -4.343 2
1 1000 . 1 1 A 91 91 ALA H H 91 8.712 8.594 0.118 2
1 1001 . 1 1 A 91 91 ALA HA H 91 3.515 4.164 -0.649 2
1 1005 . 1 1 A 91 91 ALA CA C 91 53.317 53.591 -0.274 2
1 1006 . 1 1 A 91 91 ALA CB C 91 18.678 18.736 -0.058 2
1 1007 . 1 1 A 91 91 ALA N N 91 129.870 125.683 4.186 2
1 1008 . 1 1 A 92 92 SER H H 92 9.170 8.553 0.617 2
1 1009 . 1 1 A 92 92 SER HA H 92 3.817 4.266 -0.449 2
1 1012 . 1 1 A 92 92 SER CA C 92 60.652 60.218 0.434 2
1 1013 . 1 1 A 92 92 SER CB C 92 62.505 63.125 -0.620 2
1 1014 . 1 1 A 92 92 SER N N 92 113.294 113.096 0.198 2
1 1015 . 1 1 A 93 93 THR H H 93 7.816 7.568 0.248 2
1 1016 . 1 1 A 93 93 THR HA H 93 4.402 4.170 0.232 2
1 1021 . 1 1 A 93 93 THR CA C 93 64.378 65.219 -0.841 2
1 1022 . 1 1 A 93 93 THR CB C 93 70.948 68.965 1.983 2
1 1024 . 1 1 A 93 93 THR N N 93 113.858 114.672 -0.814 2
1 1025 . 1 1 A 94 94 THR H H 94 7.702 7.671 0.031 2
1 1026 . 1 1 A 94 94 THR HA H 94 3.910 4.366 -0.456 2
1 1031 . 1 1 A 94 94 THR CA C 94 65.140 61.679 3.461 2
1 1032 . 1 1 A 94 94 THR CB C 94 70.001 68.464 1.537 2
1 1034 . 1 1 A 94 94 THR N N 94 119.588 115.398 4.190 2
1 1035 . 1 1 A 95 95 GLU H H 95 8.407 8.443 -0.036 2
1 1036 . 1 1 A 95 95 GLU HA H 95 3.801 4.552 -0.751 2
1 1041 . 1 1 A 95 95 GLU CA C 95 56.613 55.708 0.905 2
1 1042 . 1 1 A 95 95 GLU CB C 95 29.600 29.615 -0.015 2
1 1044 . 1 1 A 95 95 GLU N N 95 124.764 126.425 -1.662 2
1 1045 . 1 1 A 96 96 LEU H H 96 8.750 8.365 0.385 2
1 1046 . 1 1 A 96 96 LEU HA H 96 4.260 4.209 0.051 2
1 1056 . 1 1 A 96 96 LEU CA C 96 56.927 56.191 0.735 2
1 1057 . 1 1 A 96 96 LEU CB C 96 43.310 41.971 1.339 2
1 1061 . 1 1 A 96 96 LEU N N 96 120.035 121.965 -1.930 2
1 1062 . 1 1 A 97 97 VAL H H 97 7.053 7.502 -0.449 2
1 1063 . 1 1 A 97 97 VAL HA H 97 4.345 4.529 -0.184 2
1 1071 . 1 1 A 97 97 VAL CA C 97 61.291 60.070 1.221 2
1 1072 . 1 1 A 97 97 VAL CB C 97 31.577 35.222 -3.645 2
1 1075 . 1 1 A 97 97 VAL N N 97 112.365 116.883 -4.518 2
1 1076 . 1 1 A 98 98 ARG H H 98 8.980 8.736 0.244 2
1 1077 . 1 1 A 98 98 ARG HA H 98 5.267 5.004 0.263 2
1 1084 . 1 1 A 98 98 ARG CA C 98 55.195 54.293 0.902 2
1 1085 . 1 1 A 98 98 ARG CB C 98 32.818 33.797 -0.979 2
1 1088 . 1 1 A 98 98 ARG N N 98 127.477 124.765 2.712 2
1 1089 . 1 1 A 99 99 VAL H H 99 8.887 8.896 -0.009 2
1 1090 . 1 1 A 99 99 VAL HA H 99 4.556 5.080 -0.524 2
1 1095 . 1 1 A 99 99 VAL CA C 99 60.968 60.811 0.157 2
1 1096 . 1 1 A 99 99 VAL CB C 99 34.186 34.073 0.113 2
1 1098 . 1 1 A 99 99 VAL N N 99 122.826 122.112 0.714 2
1 1099 . 1 1 A 100 100 THR H H 100 8.833 8.889 -0.056 2
1 1100 . 1 1 A 100 100 THR HA H 100 4.559 4.957 -0.398 2
1 1105 . 1 1 A 100 100 THR CA C 100 61.080 60.035 1.045 2
1 1106 . 1 1 A 100 100 THR CB C 100 70.669 71.801 -1.132 2
1 1108 . 1 1 A 100 100 THR N N 100 121.816 119.252 2.564 2
1 1109 . 1 1 A 101 101 ASN H H 101 8.153 8.978 -0.825 2
1 1110 . 1 1 A 101 101 ASN HA H 101 4.518 4.510 0.008 2
1 1115 . 1 1 A 101 101 ASN CA C 101 54.238 54.313 -0.075 2
1 1116 . 1 1 A 101 101 ASN CB C 101 38.470 37.587 0.884 2
1 1117 . 1 1 A 101 101 ASN N N 101 122.733 122.037 0.696 2
1 1119 . 1 1 A 102 102 LEU H H 102 8.160 8.178 -0.018 2
1 1120 . 1 1 A 102 102 LEU HA H 102 4.245 4.577 -0.331 2
1 1130 . 1 1 A 102 102 LEU CA C 102 55.449 55.165 0.284 2
1 1131 . 1 1 A 102 102 LEU CB C 102 42.549 44.079 -1.530 2
1 1135 . 1 1 A 102 102 LEU N N 102 122.544 120.589 1.955 2
1 1136 . 1 1 A 103 103 ASN H H 103 8.405 8.339 0.066 2
1 1137 . 1 1 A 103 103 ASN HA H 103 4.867 4.913 -0.046 2
1 1142 . 1 1 A 103 103 ASN CA C 103 51.316 51.337 -0.021 2
1 1143 . 1 1 A 103 103 ASN CB C 103 39.049 38.073 0.976 2
1 1144 . 1 1 A 103 103 ASN N N 103 120.174 118.427 1.747 2
1 1146 . 1 1 A 104 104 PRO HA H 104 4.230 4.597 -0.367 2
1 1153 . 1 1 A 104 104 PRO CA C 104 63.559 62.451 1.108 2
1 1154 . 1 1 A 104 104 PRO CB C 104 32.102 31.061 1.041 2
1 1157 . 1 1 A 105 105 ILE H H 105 7.886 8.193 -0.307 2
1 1158 . 1 1 A 105 105 ILE HA H 105 3.941 4.353 -0.412 2
1 1168 . 1 1 A 105 105 ILE CA C 105 61.348 60.336 1.012 2
1 1169 . 1 1 A 105 105 ILE CB C 105 38.569 39.434 -0.865 2
1 1173 . 1 1 A 105 105 ILE N N 105 119.390 123.358 -3.968 2
1 1174 . 1 1 A 106 106 TYR H H 106 7.961 8.447 -0.486 2
1 1175 . 1 1 A 106 106 TYR HA H 106 4.536 4.914 -0.378 2
1 1182 . 1 1 A 106 106 TYR CA C 106 57.370 57.413 -0.043 2
1 1183 . 1 1 A 106 106 TYR CB C 106 38.889 39.731 -0.842 2
1 1184 . 1 1 A 106 106 TYR N N 106 123.172 122.619 0.553 2
1 1185 . 1 1 A 107 107 ALA H H 107 8.128 7.939 0.189 2
1 1186 . 1 1 A 107 107 ALA HA H 107 4.217 4.489 -0.272 2
1 1190 . 1 1 A 107 107 ALA CA C 107 52.724 52.333 0.391 2
1 1191 . 1 1 A 107 107 ALA CB C 107 19.133 20.001 -0.868 2
1 1192 . 1 1 A 107 107 ALA N N 107 125.520 121.821 3.699 2
1 1193 . 1 1 A 108 108 ASP H H 108 8.147 8.755 -0.608 2
1 1194 . 1 1 A 108 108 ASP HA H 108 4.511 4.877 -0.366 2
1 1197 . 1 1 A 108 108 ASP CA C 108 54.342 53.833 0.509 2
1 1198 . 1 1 A 108 108 ASP CB C 108 41.240 41.932 -0.692 2
1 1199 . 1 1 A 108 108 ASP N N 108 119.219 120.624 -1.405 2
1 1200 . 1 1 A 109 109 GLY H H 109 8.313 8.295 0.018 2
1 1201 . 1 1 A 109 109 GLY HA2 H 109 3.946 4.143 -0.197 2
1 1202 . 1 1 A 109 109 GLY HA3 H 109 3.848 4.160 -0.312 2
1 1203 . 1 1 A 109 109 GLY CA C 109 45.692 45.600 0.092 2
1 1204 . 1 1 A 109 109 GLY N N 109 109.478 109.712 -0.234 2
1 1205 . 1 1 A 110 110 SER H H 110 8.175 8.492 -0.317 2
1 1206 . 1 1 A 110 110 SER HA H 110 4.286 4.297 -0.011 2
1 1209 . 1 1 A 110 110 SER CA C 110 59.296 61.213 -1.917 2
1 1210 . 1 1 A 110 110 SER CB C 110 63.825 63.593 0.232 2
1 1211 . 1 1 A 110 110 SER N N 110 115.660 116.974 -1.314 2
1 1212 . 1 1 A 111 111 HIS HA H 111 4.527 4.488 0.039 2
1 1215 . 1 1 A 111 111 HIS CA C 111 56.109 56.705 -0.596 2
1 1216 . 1 1 A 111 111 HIS CB C 111 30.580 29.577 1.003 2
1 1217 . 1 1 A 112 112 HIS HA H 112 4.535 4.777 -0.242 2
1 1220 . 1 1 A 112 112 HIS CA C 112 57.411 55.441 1.970 2
1 1221 . 1 1 A 112 112 HIS CB C 112 30.756 30.838 -0.082 2
stop_
save_