data_15798_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15798 _Entry.PDB_ID 2JSY _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 21 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 ALA HA H 2 3.876 4.671 -0.795 1 1 5 . 1 1 1 A 2 2 ALA C C 2 172.590 175.689 -3.099 1 1 6 . 1 1 1 A 2 2 ALA CA C 2 51.922 50.316 1.606 1 1 7 . 1 1 1 A 2 2 ALA CB C 2 18.924 19.114 -0.190 1 1 8 . 1 1 1 A 3 3 GLU H H 3 8.262 8.977 -0.715 1 1 9 . 1 1 1 A 3 3 GLU HA H 3 4.641 5.045 -0.404 1 1 14 . 1 1 1 A 3 3 GLU C C 3 175.157 175.205 -0.048 1 1 15 . 1 1 1 A 3 3 GLU CA C 3 55.476 54.997 0.479 1 1 16 . 1 1 1 A 3 3 GLU CB C 3 31.142 33.151 -2.009 1 1 18 . 1 1 1 A 3 3 GLU N N 3 121.167 122.837 -1.670 1 1 19 . 1 1 1 A 4 4 ILE H H 4 9.053 8.518 0.535 1 1 20 . 1 1 1 A 4 4 ILE HA H 4 5.361 5.058 0.303 1 1 30 . 1 1 1 A 4 4 ILE C C 4 175.817 174.656 1.161 1 1 31 . 1 1 1 A 4 4 ILE CA C 4 59.304 59.157 0.147 1 1 32 . 1 1 1 A 4 4 ILE CB C 4 42.079 42.720 -0.641 1 1 36 . 1 1 1 A 4 4 ILE N N 4 124.776 119.835 4.941 1 1 37 . 1 1 1 A 5 5 THR H H 5 8.977 8.476 0.501 1 1 38 . 1 1 1 A 5 5 THR HA H 5 5.141 5.471 -0.330 1 1 43 . 1 1 1 A 5 5 THR C C 5 173.483 173.262 0.221 1 1 44 . 1 1 1 A 5 5 THR CA C 5 59.304 60.258 -0.954 1 1 45 . 1 1 1 A 5 5 THR CB C 5 73.249 72.163 1.086 1 1 47 . 1 1 1 A 5 5 THR N N 5 112.659 116.454 -3.795 1 1 48 . 1 1 1 A 6 6 PHE H H 6 9.173 9.519 -0.346 1 1 49 . 1 1 1 A 6 6 PHE HA H 6 4.866 5.024 -0.158 1 1 53 . 1 1 1 A 6 6 PHE C C 6 175.591 174.714 0.877 1 1 54 . 1 1 1 A 6 6 PHE CA C 6 58.054 57.291 0.763 1 1 55 . 1 1 1 A 6 6 PHE CB C 6 42.625 42.356 0.269 1 1 56 . 1 1 1 A 6 6 PHE N N 6 119.362 124.877 -5.515 1 1 57 . 1 1 1 A 7 7 LYS H H 7 11.130 9.269 1.861 1 1 58 . 1 1 1 A 7 7 LYS HA H 7 3.567 3.821 -0.254 1 1 67 . 1 1 1 A 7 7 LYS C C 7 177.661 176.889 0.772 1 1 68 . 1 1 1 A 7 7 LYS CA C 7 57.390 57.406 -0.016 1 1 69 . 1 1 1 A 7 7 LYS CB C 7 29.222 29.430 -0.208 1 1 73 . 1 1 1 A 7 7 LYS N N 7 134.058 128.283 5.775 1 1 74 . 1 1 1 A 8 8 GLY H H 8 8.965 8.431 0.534 1 1 75 . 1 1 1 A 8 8 GLY HA2 H 8 4.244 3.850 0.394 1 1 76 . 1 1 1 A 8 8 GLY HA3 H 8 3.528 3.850 -0.322 1 1 77 . 1 1 1 A 8 8 GLY C C 8 173.822 174.054 -0.232 1 1 78 . 1 1 1 A 8 8 GLY CA C 8 45.360 45.481 -0.121 1 1 79 . 1 1 1 A 8 8 GLY N N 8 104.280 104.784 -0.504 1 1 80 . 1 1 1 A 9 9 GLY H H 9 7.942 8.266 -0.324 1 1 81 . 1 1 1 A 9 9 GLY HA2 H 9 4.815 4.241 0.574 1 1 82 . 1 1 1 A 9 9 GLY HA3 H 9 3.715 4.263 -0.548 1 1 83 . 1 1 1 A 9 9 GLY C C 9 171.262 173.477 -2.215 1 1 84 . 1 1 1 A 9 9 GLY CA C 9 43.172 44.696 -1.524 1 1 85 . 1 1 1 A 9 9 GLY N N 9 109.823 108.069 1.754 1 1 86 . 1 1 1 A 10 10 PRO HA H 10 4.640 4.797 -0.157 1 1 93 . 1 1 1 A 10 10 PRO C C 10 177.097 176.277 0.820 1 1 94 . 1 1 1 A 10 10 PRO CA C 10 63.952 63.101 0.851 1 1 95 . 1 1 1 A 10 10 PRO CB C 10 32.509 32.488 0.021 1 1 98 . 1 1 1 A 11 11 VAL H H 11 7.770 8.630 -0.860 1 1 99 . 1 1 1 A 11 11 VAL HA H 11 4.632 4.824 -0.192 1 1 107 . 1 1 1 A 11 11 VAL C C 11 174.462 174.225 0.237 1 1 108 . 1 1 1 A 11 11 VAL CA C 11 59.304 59.483 -0.179 1 1 109 . 1 1 1 A 11 11 VAL CB C 11 35.516 35.847 -0.331 1 1 112 . 1 1 1 A 11 11 VAL N N 11 115.495 116.504 -1.009 1 1 113 . 1 1 1 A 12 12 THR H H 12 10.773 8.794 1.979 1 1 114 . 1 1 1 A 12 12 THR HA H 12 4.425 4.675 -0.250 1 1 119 . 1 1 1 A 12 12 THR C C 12 173.505 173.981 -0.476 1 1 120 . 1 1 1 A 12 12 THR CA C 12 62.312 61.421 0.891 1 1 121 . 1 1 1 A 12 12 THR CB C 12 69.694 70.480 -0.786 1 1 123 . 1 1 1 A 12 12 THR N N 12 121.940 119.526 2.414 1 1 124 . 1 1 1 A 13 13 LEU H H 13 8.524 8.602 -0.078 1 1 125 . 1 1 1 A 13 13 LEU HA H 13 5.132 4.942 0.190 1 1 135 . 1 1 1 A 13 13 LEU C C 13 177.285 176.660 0.625 1 1 136 . 1 1 1 A 13 13 LEU CA C 13 53.289 53.206 0.083 1 1 137 . 1 1 1 A 13 13 LEU CB C 13 42.352 44.400 -2.048 1 1 141 . 1 1 1 A 13 13 LEU N N 13 125.550 124.023 1.527 1 1 142 . 1 1 1 A 14 14 VAL H H 14 8.962 8.793 0.169 1 1 143 . 1 1 1 A 14 14 VAL HA H 14 3.859 3.738 0.121 1 1 151 . 1 1 1 A 14 14 VAL C C 14 174.604 177.817 -3.213 1 1 152 . 1 1 1 A 14 14 VAL CA C 14 62.312 65.783 -3.471 1 1 153 . 1 1 1 A 14 14 VAL CB C 14 32.509 32.169 0.340 1 1 156 . 1 1 1 A 14 14 VAL N N 14 126.968 121.999 4.969 1 1 157 . 1 1 1 A 15 15 GLY H H 15 7.838 7.927 -0.089 1 1 158 . 1 1 1 A 15 15 GLY HA2 H 15 5.132 3.985 1.147 1 1 159 . 1 1 1 A 15 15 GLY HA3 H 15 3.730 4.006 -0.276 1 1 160 . 1 1 1 A 15 15 GLY C C 15 174.542 174.517 0.025 1 1 161 . 1 1 1 A 15 15 GLY CA C 15 43.446 45.155 -1.709 1 1 162 . 1 1 1 A 15 15 GLY N N 15 110.596 108.411 2.185 1 1 163 . 1 1 1 A 16 16 GLN H H 16 8.247 7.725 0.522 1 1 164 . 1 1 1 A 16 16 GLN HA H 16 4.347 3.933 0.414 1 1 171 . 1 1 1 A 16 16 GLN C C 16 174.876 175.594 -0.718 1 1 172 . 1 1 1 A 16 16 GLN CA C 16 54.656 57.962 -3.306 1 1 173 . 1 1 1 A 16 16 GLN CB C 16 30.321 27.318 3.003 1 1 175 . 1 1 1 A 16 16 GLN N N 16 120.522 115.870 4.652 1 1 177 . 1 1 1 A 17 17 GLU H H 17 8.149 8.576 -0.427 1 1 178 . 1 1 1 A 17 17 GLU HA H 17 3.938 4.090 -0.152 1 1 183 . 1 1 1 A 17 17 GLU C C 17 176.607 175.921 0.686 1 1 184 . 1 1 1 A 17 17 GLU CA C 17 57.117 57.191 -0.074 1 1 185 . 1 1 1 A 17 17 GLU CB C 17 30.321 28.142 2.179 1 1 187 . 1 1 1 A 17 17 GLU N N 17 123.616 121.934 1.682 1 1 188 . 1 1 1 A 18 18 VAL H H 18 8.605 7.946 0.659 1 1 189 . 1 1 1 A 18 18 VAL HA H 18 4.047 4.031 0.016 1 1 197 . 1 1 1 A 18 18 VAL C C 18 174.386 175.995 -1.609 1 1 198 . 1 1 1 A 18 18 VAL CA C 18 61.765 63.378 -1.613 1 1 199 . 1 1 1 A 18 18 VAL CB C 18 32.782 32.127 0.655 1 1 202 . 1 1 1 A 18 18 VAL N N 18 125.936 121.712 4.224 1 1 203 . 1 1 1 A 19 19 LYS H H 19 8.461 8.859 -0.398 1 1 204 . 1 1 1 A 19 19 LYS HA H 19 4.624 4.908 -0.284 1 1 213 . 1 1 1 A 19 19 LYS C C 19 176.457 174.580 1.877 1 1 214 . 1 1 1 A 19 19 LYS CA C 19 53.562 54.355 -0.793 1 1 215 . 1 1 1 A 19 19 LYS CB C 19 34.423 35.687 -1.264 1 1 219 . 1 1 1 A 19 19 LYS N N 19 123.874 120.699 3.175 1 1 220 . 1 1 1 A 20 20 VAL H H 20 8.349 8.417 -0.068 1 1 221 . 1 1 1 A 20 20 VAL HA H 20 3.421 3.841 -0.420 1 1 229 . 1 1 1 A 20 20 VAL C C 20 177.624 176.905 0.719 1 1 230 . 1 1 1 A 20 20 VAL CA C 20 65.593 63.445 2.148 1 1 231 . 1 1 1 A 20 20 VAL CB C 20 31.415 31.485 -0.070 1 1 234 . 1 1 1 A 20 20 VAL N N 20 120.393 121.763 -1.370 1 1 235 . 1 1 1 A 21 21 GLY H H 21 9.338 9.524 -0.186 1 1 236 . 1 1 1 A 21 21 GLY HA2 H 21 4.566 4.045 0.521 1 1 237 . 1 1 1 A 21 21 GLY HA3 H 21 3.536 4.053 -0.517 1 1 238 . 1 1 1 A 21 21 GLY C C 21 174.160 174.696 -0.536 1 1 239 . 1 1 1 A 21 21 GLY CA C 21 44.539 45.221 -0.682 1 1 240 . 1 1 1 A 21 21 GLY N N 21 117.429 117.826 -0.397 1 1 241 . 1 1 1 A 22 22 ASP H H 22 8.222 7.970 0.252 1 1 242 . 1 1 1 A 22 22 ASP HA H 22 4.650 4.550 0.100 1 1 245 . 1 1 1 A 22 22 ASP C C 22 176.231 175.774 0.457 1 1 246 . 1 1 1 A 22 22 ASP CA C 22 54.382 55.203 -0.821 1 1 247 . 1 1 1 A 22 22 ASP CB C 22 40.985 41.363 -0.378 1 1 248 . 1 1 1 A 22 22 ASP N N 22 121.811 121.736 0.075 1 1 249 . 1 1 1 A 23 23 GLN H H 23 8.598 7.971 0.627 1 1 250 . 1 1 1 A 23 23 GLN HA H 23 4.224 4.373 -0.149 1 1 257 . 1 1 1 A 23 23 GLN C C 23 175.892 175.094 0.798 1 1 258 . 1 1 1 A 23 23 GLN CA C 23 55.203 58.377 -3.174 1 1 259 . 1 1 1 A 23 23 GLN CB C 23 28.954 28.003 0.951 1 1 261 . 1 1 1 A 23 23 GLN N N 23 119.491 117.293 2.198 1 1 263 . 1 1 1 A 24 24 ALA H H 24 8.664 8.549 0.115 1 1 264 . 1 1 1 A 24 24 ALA HA H 24 4.030 4.746 -0.716 1 1 268 . 1 1 1 A 24 24 ALA C C 24 174.386 176.901 -2.515 1 1 269 . 1 1 1 A 24 24 ALA CA C 24 51.101 48.734 2.367 1 1 270 . 1 1 1 A 24 24 ALA CB C 24 19.111 20.814 -1.703 1 1 271 . 1 1 1 A 24 24 ALA N N 24 129.804 125.039 4.765 1 1 272 . 1 1 1 A 25 25 PRO HA H 25 4.422 4.424 -0.002 1 1 279 . 1 1 1 A 25 25 PRO C C 25 173.596 177.274 -3.678 1 1 280 . 1 1 1 A 25 25 PRO CA C 25 61.765 64.690 -2.925 1 1 281 . 1 1 1 A 25 25 PRO CB C 25 32.509 32.041 0.468 1 1 284 . 1 1 1 A 26 26 ASP H H 26 7.546 7.953 -0.407 1 1 285 . 1 1 1 A 26 26 ASP HA H 26 4.411 3.757 0.654 1 1 288 . 1 1 1 A 26 26 ASP C C 26 175.591 174.369 1.222 1 1 289 . 1 1 1 A 26 26 ASP CA C 26 54.656 54.493 0.163 1 1 290 . 1 1 1 A 26 26 ASP CB C 26 42.625 39.138 3.487 1 1 291 . 1 1 1 A 26 26 ASP N N 26 114.979 118.900 -3.921 1 1 292 . 1 1 1 A 27 27 PHE H H 27 7.379 6.093 1.286 1 1 293 . 1 1 1 A 27 27 PHE HA H 27 4.659 5.283 -0.624 1 1 295 . 1 1 1 A 27 27 PHE C C 27 173.407 173.557 -0.150 1 1 296 . 1 1 1 A 27 27 PHE CA C 27 56.570 55.251 1.319 1 1 297 . 1 1 1 A 27 27 PHE CB C 27 39.891 41.583 -1.692 1 1 298 . 1 1 1 A 27 27 PHE N N 27 113.561 119.283 -5.722 1 1 299 . 1 1 1 A 28 28 THR H H 28 8.540 8.691 -0.151 1 1 300 . 1 1 1 A 28 28 THR HA H 28 4.936 5.432 -0.496 1 1 305 . 1 1 1 A 28 28 THR C C 28 173.443 173.896 -0.453 1 1 306 . 1 1 1 A 28 28 THR CA C 28 62.889 61.010 1.879 1 1 307 . 1 1 1 A 28 28 THR CB C 28 72.155 72.045 0.110 1 1 309 . 1 1 1 A 28 28 THR N N 28 114.593 114.068 0.525 1 1 310 . 1 1 1 A 29 29 VAL H H 29 9.120 9.210 -0.090 1 1 311 . 1 1 1 A 29 29 VAL HA H 29 4.863 5.063 -0.200 1 1 319 . 1 1 1 A 29 29 VAL C C 29 173.558 174.317 -0.759 1 1 320 . 1 1 1 A 29 29 VAL CA C 29 59.527 59.438 0.089 1 1 321 . 1 1 1 A 29 29 VAL CB C 29 35.243 36.311 -1.068 1 1 324 . 1 1 1 A 29 29 VAL N N 29 119.233 117.833 1.400 1 1 325 . 1 1 1 A 30 30 LEU H H 30 8.565 8.745 -0.180 1 1 326 . 1 1 1 A 30 30 LEU HA H 30 5.615 5.430 0.185 1 1 336 . 1 1 1 A 30 30 LEU C C 30 180.310 176.986 3.324 1 1 337 . 1 1 1 A 30 30 LEU CA C 30 53.562 53.190 0.372 1 1 338 . 1 1 1 A 30 30 LEU CB C 30 47.547 44.785 2.762 1 1 342 . 1 1 1 A 30 30 LEU N N 30 117.429 122.050 -4.621 1 1 343 . 1 1 1 A 31 31 THR H H 31 9.587 8.600 0.987 1 1 344 . 1 1 1 A 31 31 THR HA H 31 4.741 4.597 0.144 1 1 349 . 1 1 1 A 31 31 THR C C 31 176.457 175.650 0.807 1 1 350 . 1 1 1 A 31 31 THR CA C 31 60.632 60.650 -0.018 1 1 351 . 1 1 1 A 31 31 THR CB C 31 71.451 71.326 0.125 1 1 353 . 1 1 1 A 31 31 THR N N 31 114.721 114.261 0.460 1 1 354 . 1 1 1 A 32 32 ASN H H 32 9.812 8.809 1.003 1 1 355 . 1 1 1 A 32 32 ASN HA H 32 4.352 4.474 -0.122 1 1 358 . 1 1 1 A 32 32 ASN C C 32 175.252 177.155 -1.903 1 1 359 . 1 1 1 A 32 32 ASN CA C 32 55.476 56.121 -0.645 1 1 360 . 1 1 1 A 32 32 ASN CB C 32 38.524 38.132 0.392 1 1 361 . 1 1 1 A 32 32 ASN N N 32 118.460 120.797 -2.337 1 1 362 . 1 1 1 A 33 33 SER H H 33 7.782 7.856 -0.074 1 1 363 . 1 1 1 A 33 33 SER HA H 33 4.562 4.564 -0.002 1 1 366 . 1 1 1 A 33 33 SER C C 33 173.822 173.279 0.543 1 1 367 . 1 1 1 A 33 33 SER CA C 33 57.390 58.271 -0.881 1 1 368 . 1 1 1 A 33 33 SER CB C 33 62.859 63.325 -0.466 1 1 369 . 1 1 1 A 33 33 SER N N 33 110.725 111.969 -1.244 1 1 370 . 1 1 1 A 34 34 LEU H H 34 8.342 8.139 0.203 1 1 371 . 1 1 1 A 34 34 LEU HA H 34 3.686 3.830 -0.144 1 1 381 . 1 1 1 A 34 34 LEU C C 34 175.516 175.526 -0.010 1 1 382 . 1 1 1 A 34 34 LEU CA C 34 57.117 56.217 0.900 1 1 383 . 1 1 1 A 34 34 LEU CB C 34 37.430 39.906 -2.476 1 1 387 . 1 1 1 A 34 34 LEU N N 34 116.913 119.610 -2.697 1 1 388 . 1 1 1 A 35 35 GLU H H 35 7.538 7.997 -0.459 1 1 389 . 1 1 1 A 35 35 GLU HA H 35 4.546 4.643 -0.097 1 1 394 . 1 1 1 A 35 35 GLU C C 35 176.005 176.495 -0.490 1 1 395 . 1 1 1 A 35 35 GLU CA C 35 54.929 54.735 0.194 1 1 396 . 1 1 1 A 35 35 GLU CB C 35 30.868 31.067 -0.199 1 1 398 . 1 1 1 A 35 35 GLU N N 35 117.429 117.486 -0.057 1 1 399 . 1 1 1 A 36 36 GLU H H 36 8.681 8.696 -0.015 1 1 400 . 1 1 1 A 36 36 GLU HA H 36 4.740 4.519 0.221 1 1 405 . 1 1 1 A 36 36 GLU C C 36 176.833 175.501 1.332 1 1 406 . 1 1 1 A 36 36 GLU CA C 36 56.923 56.729 0.194 1 1 407 . 1 1 1 A 36 36 GLU CB C 36 30.868 30.215 0.653 1 1 409 . 1 1 1 A 36 36 GLU N N 36 121.296 122.352 -1.056 1 1 410 . 1 1 1 A 37 37 LYS H H 37 9.122 8.723 0.399 1 1 411 . 1 1 1 A 37 37 LYS HA H 37 4.639 5.115 -0.476 1 1 420 . 1 1 1 A 37 37 LYS C C 37 173.671 174.687 -1.016 1 1 421 . 1 1 1 A 37 37 LYS CA C 37 55.476 54.932 0.544 1 1 422 . 1 1 1 A 37 37 LYS CB C 37 35.243 36.204 -0.961 1 1 426 . 1 1 1 A 37 37 LYS N N 37 125.292 122.783 2.509 1 1 427 . 1 1 1 A 38 38 SER H H 38 9.337 8.392 0.945 1 1 428 . 1 1 1 A 38 38 SER HA H 38 5.310 5.133 0.177 1 1 431 . 1 1 1 A 38 38 SER C C 38 175.102 175.126 -0.024 1 1 432 . 1 1 1 A 38 38 SER CA C 38 56.296 55.732 0.564 1 1 433 . 1 1 1 A 38 38 SER CB C 38 67.233 66.363 0.870 1 1 434 . 1 1 1 A 38 38 SER N N 38 121.811 118.592 3.219 1 1 435 . 1 1 1 A 39 39 LEU H H 39 7.023 8.273 -1.250 1 1 436 . 1 1 1 A 39 39 LEU HA H 39 3.872 4.041 -0.169 1 1 446 . 1 1 1 A 39 39 LEU C C 39 179.845 178.428 1.417 1 1 447 . 1 1 1 A 39 39 LEU CA C 39 58.210 58.301 -0.091 1 1 448 . 1 1 1 A 39 39 LEU CB C 39 40.711 41.241 -0.530 1 1 452 . 1 1 1 A 39 39 LEU N N 39 121.811 124.081 -2.270 1 1 453 . 1 1 1 A 40 40 ALA H H 40 8.447 8.167 0.280 1 1 454 . 1 1 1 A 40 40 ALA HA H 40 3.890 3.999 -0.109 1 1 458 . 1 1 1 A 40 40 ALA C C 40 179.995 180.146 -0.151 1 1 459 . 1 1 1 A 40 40 ALA CA C 40 55.203 54.704 0.499 1 1 460 . 1 1 1 A 40 40 ALA CB C 40 18.291 18.191 0.100 1 1 461 . 1 1 1 A 40 40 ALA N N 40 119.362 119.163 0.199 1 1 462 . 1 1 1 A 41 41 ASP H H 41 7.517 7.893 -0.376 1 1 463 . 1 1 1 A 41 41 ASP HA H 41 4.469 4.369 0.100 1 1 466 . 1 1 1 A 41 41 ASP C C 41 176.720 178.293 -1.573 1 1 467 . 1 1 1 A 41 41 ASP CA C 41 56.296 56.807 -0.511 1 1 468 . 1 1 1 A 41 41 ASP CB C 41 42.079 40.614 1.465 1 1 469 . 1 1 1 A 41 41 ASP N N 41 114.850 118.676 -3.826 1 1 470 . 1 1 1 A 42 42 MET H H 42 7.989 7.980 0.009 1 1 471 . 1 1 1 A 42 42 MET HA H 42 4.336 4.611 -0.275 1 1 479 . 1 1 1 A 42 42 MET C C 42 175.440 177.022 -1.582 1 1 480 . 1 1 1 A 42 42 MET CA C 42 56.843 57.832 -0.989 1 1 481 . 1 1 1 A 42 42 MET CB C 42 31.962 32.422 -0.460 1 1 484 . 1 1 1 A 42 42 MET N N 42 118.847 116.070 2.777 1 1 485 . 1 1 1 A 43 43 LYS H H 43 6.901 7.311 -0.410 1 1 486 . 1 1 1 A 43 43 LYS HA H 43 4.265 4.220 0.045 1 1 494 . 1 1 1 A 43 43 LYS C C 43 177.435 177.499 -0.064 1 1 495 . 1 1 1 A 43 43 LYS CA C 43 57.664 58.417 -0.753 1 1 496 . 1 1 1 A 43 43 LYS CB C 43 33.329 32.601 0.728 1 1 500 . 1 1 1 A 43 43 LYS N N 43 116.913 120.062 -3.149 1 1 501 . 1 1 1 A 44 44 GLY H H 44 9.268 8.973 0.295 1 1 502 . 1 1 1 A 44 44 GLY HA2 H 44 3.692 4.022 -0.330 1 1 503 . 1 1 1 A 44 44 GLY HA3 H 44 4.596 4.023 0.573 1 1 504 . 1 1 1 A 44 44 GLY C C 44 173.671 173.360 0.311 1 1 505 . 1 1 1 A 44 44 GLY CA C 44 44.813 45.050 -0.237 1 1 506 . 1 1 1 A 44 44 GLY N N 44 111.112 112.043 -0.931 1 1 507 . 1 1 1 A 45 45 LYS H H 45 7.516 7.782 -0.266 1 1 508 . 1 1 1 A 45 45 LYS HA H 45 4.754 4.814 -0.060 1 1 515 . 1 1 1 A 45 45 LYS C C 45 175.214 174.754 0.460 1 1 516 . 1 1 1 A 45 45 LYS CA C 45 54.820 55.045 -0.225 1 1 517 . 1 1 1 A 45 45 LYS CB C 45 36.883 36.338 0.545 1 1 521 . 1 1 1 A 45 45 LYS N N 45 117.944 120.753 -2.809 1 1 522 . 1 1 1 A 46 46 VAL H H 46 8.887 8.662 0.225 1 1 523 . 1 1 1 A 46 46 VAL HA H 46 3.950 4.255 -0.305 1 1 531 . 1 1 1 A 46 46 VAL C C 46 174.876 175.413 -0.537 1 1 532 . 1 1 1 A 46 46 VAL CA C 46 64.773 63.251 1.522 1 1 533 . 1 1 1 A 46 46 VAL CB C 46 31.962 32.176 -0.214 1 1 536 . 1 1 1 A 46 46 VAL N N 46 124.776 123.933 0.843 1 1 537 . 1 1 1 A 47 47 THR H H 47 8.956 8.947 0.009 1 1 538 . 1 1 1 A 47 47 THR HA H 47 5.300 5.374 -0.074 1 1 543 . 1 1 1 A 47 47 THR C C 47 172.579 173.554 -0.975 1 1 544 . 1 1 1 A 47 47 THR CA C 47 62.312 61.447 0.865 1 1 545 . 1 1 1 A 47 47 THR CB C 47 73.249 72.418 0.831 1 1 547 . 1 1 1 A 47 47 THR N N 47 124.132 122.487 1.645 1 1 548 . 1 1 1 A 48 48 ILE H H 48 9.160 8.965 0.195 1 1 549 . 1 1 1 A 48 48 ILE HA H 48 4.740 5.022 -0.282 1 1 559 . 1 1 1 A 48 48 ILE C C 48 173.972 175.271 -1.299 1 1 560 . 1 1 1 A 48 48 ILE CA C 48 61.441 60.058 1.383 1 1 561 . 1 1 1 A 48 48 ILE CB C 48 40.438 41.978 -1.540 1 1 565 . 1 1 1 A 48 48 ILE N N 48 128.515 124.745 3.770 1 1 566 . 1 1 1 A 49 49 ILE H H 49 9.507 9.086 0.421 1 1 567 . 1 1 1 A 49 49 ILE HA H 49 4.883 5.005 -0.122 1 1 577 . 1 1 1 A 49 49 ILE C C 49 174.650 175.202 -0.552 1 1 578 . 1 1 1 A 49 49 ILE CA C 49 60.773 60.374 0.399 1 1 579 . 1 1 1 A 49 49 ILE CB C 49 41.532 41.221 0.311 1 1 583 . 1 1 1 A 49 49 ILE N N 49 126.194 127.376 -1.182 1 1 584 . 1 1 1 A 50 50 SER H H 50 9.079 9.208 -0.129 1 1 585 . 1 1 1 A 50 50 SER HA H 50 5.138 5.130 0.008 1 1 588 . 1 1 1 A 50 50 SER C C 50 172.692 173.441 -0.749 1 1 589 . 1 1 1 A 50 50 SER CA C 50 56.843 58.381 -1.538 1 1 590 . 1 1 1 A 50 50 SER CB C 50 64.773 64.703 0.070 1 1 591 . 1 1 1 A 50 50 SER N N 50 121.940 124.240 -2.300 1 1 592 . 1 1 1 A 51 51 VAL H H 51 9.010 8.731 0.279 1 1 593 . 1 1 1 A 51 51 VAL HA H 51 4.873 5.032 -0.159 1 1 601 . 1 1 1 A 51 51 VAL CA C 51 61.595 60.959 0.636 1 1 602 . 1 1 1 A 51 51 VAL CB C 51 32.509 35.274 -2.765 1 1 605 . 1 1 1 A 51 51 VAL N N 51 128.128 123.052 5.076 1 1 606 . 1 1 1 A 52 52 ILE H H 52 8.182 8.661 -0.479 1 1 607 . 1 1 1 A 52 52 ILE HA H 52 4.862 4.828 0.034 1 1 616 . 1 1 1 A 52 52 ILE CA C 52 58.026 57.308 0.718 1 1 617 . 1 1 1 A 52 52 ILE CB C 52 43.172 40.079 3.093 1 1 621 . 1 1 1 A 52 52 ILE N N 52 124.776 123.064 1.712 1 1 622 . 1 1 1 A 53 53 PRO HA H 53 4.904 4.491 0.413 1 1 629 . 1 1 1 A 53 53 PRO CA C 53 65.560 64.887 0.673 1 1 630 . 1 1 1 A 53 53 PRO CB C 53 31.826 32.399 -0.573 1 1 633 . 1 1 1 A 54 54 SER H H 54 7.214 7.707 -0.493 1 1 634 . 1 1 1 A 54 54 SER HA H 54 5.100 4.951 0.149 1 1 637 . 1 1 1 A 54 54 SER CA C 54 57.417 57.446 -0.029 1 1 638 . 1 1 1 A 54 54 SER CB C 54 65.195 67.591 -2.396 1 1 639 . 1 1 1 A 54 54 SER N N 54 107.901 113.000 -5.099 1 1 640 . 1 1 1 A 55 55 ILE H H 55 7.330 8.509 -1.179 1 1 641 . 1 1 1 A 55 55 ILE HA H 55 5.075 4.259 0.816 1 1 651 . 1 1 1 A 55 55 ILE CA C 55 61.734 62.300 -0.566 1 1 652 . 1 1 1 A 55 55 ILE CB C 55 36.233 38.861 -2.628 1 1 656 . 1 1 1 A 56 56 ASP H H 56 8.699 8.112 0.587 1 1 657 . 1 1 1 A 56 56 ASP HA H 56 5.075 4.452 0.623 1 1 660 . 1 1 1 A 56 56 ASP CA C 56 54.407 56.346 -1.939 1 1 661 . 1 1 1 A 56 56 ASP CB C 56 42.832 41.395 1.437 1 1 662 . 1 1 1 A 56 56 ASP N N 56 121.940 121.621 0.319 1 1 663 . 1 1 1 A 57 57 THR H H 57 7.294 7.796 -0.502 1 1 664 . 1 1 1 A 57 57 THR HA H 57 4.323 4.228 0.095 1 1 669 . 1 1 1 A 57 57 THR C C 57 175.440 175.968 -0.528 1 1 670 . 1 1 1 A 57 57 THR CA C 57 61.765 63.160 -1.395 1 1 671 . 1 1 1 A 57 57 THR CB C 57 69.421 69.905 -0.484 1 1 673 . 1 1 1 A 57 57 THR N N 57 108.921 108.745 0.176 1 1 674 . 1 1 1 A 58 58 GLY H H 58 8.215 7.680 0.535 1 1 675 . 1 1 1 A 58 58 GLY HA2 H 58 4.012 3.899 0.113 1 1 676 . 1 1 1 A 58 58 GLY HA3 H 58 4.012 3.903 0.109 1 1 677 . 1 1 1 A 58 58 GLY C C 58 173.520 175.336 -1.816 1 1 678 . 1 1 1 A 58 58 GLY CA C 58 45.360 45.599 -0.239 1 1 679 . 1 1 1 A 58 58 GLY N N 58 110.969 110.188 0.781 1 1 680 . 1 1 1 A 59 59 VAL H H 59 7.976 8.186 -0.210 1 1 681 . 1 1 1 A 59 59 VAL HA H 59 4.307 3.690 0.617 1 1 689 . 1 1 1 A 59 59 VAL C C 59 175.854 178.065 -2.211 1 1 690 . 1 1 1 A 59 59 VAL CA C 59 61.765 64.993 -3.228 1 1 691 . 1 1 1 A 59 59 VAL CB C 59 33.329 31.085 2.244 1 1 694 . 1 1 1 A 59 59 VAL N N 59 118.501 119.071 -0.570 1 1 696 . 1 1 1 A 61 61 ASP HA H 61 4.323 4.302 0.021 1 1 697 . 1 1 1 A 61 61 ASP CA C 61 54.382 56.915 -2.533 1 1 698 . 1 1 1 A 61 61 ASP CB C 61 39.142 40.957 -1.815 1 1 699 . 1 1 1 A 62 62 ALA H H 62 8.663 7.516 1.147 1 1 700 . 1 1 1 A 62 62 ALA HA H 62 3.971 3.884 0.087 1 1 704 . 1 1 1 A 62 62 ALA C C 62 180.485 177.916 2.569 1 1 705 . 1 1 1 A 62 62 ALA CA C 62 55.203 54.478 0.725 1 1 706 . 1 1 1 A 62 62 ALA CB C 62 18.838 18.232 0.606 1 1 707 . 1 1 1 A 63 63 GLN H H 63 8.550 7.607 0.943 1 1 708 . 1 1 1 A 63 63 GLN HA H 63 3.865 4.562 -0.697 1 1 715 . 1 1 1 A 63 63 GLN C C 63 178.527 177.813 0.714 1 1 716 . 1 1 1 A 63 63 GLN CA C 63 59.346 57.302 2.044 1 1 717 . 1 1 1 A 63 63 GLN CB C 63 28.635 31.416 -2.781 1 1 719 . 1 1 1 A 63 63 GLN N N 63 117.429 116.524 0.905 1 1 721 . 1 1 1 A 64 64 THR H H 64 8.121 7.771 0.350 1 1 722 . 1 1 1 A 64 64 THR HA H 64 3.624 3.788 -0.164 1 1 727 . 1 1 1 A 64 64 THR C C 64 178.527 176.202 2.325 1 1 728 . 1 1 1 A 64 64 THR CA C 64 66.686 67.496 -0.810 1 1 729 . 1 1 1 A 64 64 THR CB C 64 68.600 68.190 0.410 1 1 731 . 1 1 1 A 64 64 THR N N 64 118.460 116.235 2.225 1 1 732 . 1 1 1 A 65 65 ARG H H 65 7.530 8.373 -0.843 1 1 733 . 1 1 1 A 65 65 ARG HA H 65 3.904 3.933 -0.029 1 1 739 . 1 1 1 A 65 65 ARG CA C 65 59.507 59.837 -0.330 1 1 740 . 1 1 1 A 65 65 ARG CB C 65 29.637 30.030 -0.393 1 1 743 . 1 1 1 A 66 66 ARG H H 66 7.972 7.830 0.142 1 1 744 . 1 1 1 A 66 66 ARG HA H 66 4.056 3.900 0.156 1 1 751 . 1 1 1 A 66 66 ARG C C 66 177.624 178.160 -0.536 1 1 752 . 1 1 1 A 66 66 ARG CA C 66 59.031 58.769 0.262 1 1 753 . 1 1 1 A 66 66 ARG CB C 66 29.228 29.749 -0.521 1 1 756 . 1 1 1 A 66 66 ARG N N 66 118.460 119.304 -0.844 1 1 757 . 1 1 1 A 67 67 PHE H H 67 7.673 8.426 -0.753 1 1 758 . 1 1 1 A 67 67 PHE HA H 67 4.260 3.983 0.277 1 1 763 . 1 1 1 A 67 67 PHE C C 67 176.043 177.605 -1.562 1 1 764 . 1 1 1 A 67 67 PHE CA C 67 60.945 60.847 0.098 1 1 765 . 1 1 1 A 67 67 PHE CB C 67 39.071 38.889 0.182 1 1 766 . 1 1 1 A 67 67 PHE N N 67 119.362 120.310 -0.948 1 1 767 . 1 1 1 A 68 68 ASN H H 68 7.688 8.249 -0.561 1 1 768 . 1 1 1 A 68 68 ASN HA H 68 4.150 4.022 0.128 1 1 771 . 1 1 1 A 68 68 ASN C C 68 177.172 177.780 -0.608 1 1 772 . 1 1 1 A 68 68 ASN CA C 68 55.750 56.336 -0.586 1 1 773 . 1 1 1 A 68 68 ASN CB C 68 37.977 37.827 0.150 1 1 774 . 1 1 1 A 68 68 ASN N N 68 117.042 117.041 0.001 1 1 775 . 1 1 1 A 69 69 GLU H H 69 8.185 8.255 -0.070 1 1 776 . 1 1 1 A 69 69 GLU HA H 69 3.848 3.975 -0.127 1 1 781 . 1 1 1 A 69 69 GLU C C 69 179.468 178.911 0.557 1 1 782 . 1 1 1 A 69 69 GLU CA C 69 59.577 60.036 -0.459 1 1 783 . 1 1 1 A 69 69 GLU CB C 69 30.321 28.986 1.335 1 1 785 . 1 1 1 A 69 69 GLU N N 69 118.975 119.747 -0.772 1 1 786 . 1 1 1 A 70 70 GLU H H 70 8.671 7.970 0.701 1 1 787 . 1 1 1 A 70 70 GLU HA H 70 3.807 3.988 -0.181 1 1 792 . 1 1 1 A 70 70 GLU C C 70 179.468 178.678 0.790 1 1 793 . 1 1 1 A 70 70 GLU CA C 70 58.757 58.845 -0.088 1 1 794 . 1 1 1 A 70 70 GLU CB C 70 29.501 29.874 -0.373 1 1 796 . 1 1 1 A 70 70 GLU N N 70 118.975 118.996 -0.021 1 1 797 . 1 1 1 A 71 71 ALA H H 71 8.418 8.176 0.242 1 1 798 . 1 1 1 A 71 71 ALA HA H 71 3.616 3.860 -0.244 1 1 802 . 1 1 1 A 71 71 ALA C C 71 178.226 180.145 -1.919 1 1 803 . 1 1 1 A 71 71 ALA CA C 71 54.656 54.828 -0.172 1 1 804 . 1 1 1 A 71 71 ALA CB C 71 18.017 17.863 0.154 1 1 805 . 1 1 1 A 71 71 ALA N N 71 122.069 122.858 -0.789 1 1 806 . 1 1 1 A 72 72 ALA H H 72 7.520 8.137 -0.617 1 1 807 . 1 1 1 A 72 72 ALA HA H 72 3.842 3.995 -0.153 1 1 811 . 1 1 1 A 72 72 ALA C C 72 179.280 178.053 1.227 1 1 812 . 1 1 1 A 72 72 ALA CA C 72 54.109 54.371 -0.262 1 1 813 . 1 1 1 A 72 72 ALA CB C 72 18.564 18.196 0.368 1 1 814 . 1 1 1 A 72 72 ALA N N 72 116.139 119.224 -3.085 1 1 815 . 1 1 1 A 73 73 LYS H H 73 7.302 7.634 -0.332 1 1 816 . 1 1 1 A 73 73 LYS HA H 73 4.129 4.345 -0.216 1 1 825 . 1 1 1 A 73 73 LYS C C 73 177.661 178.054 -0.393 1 1 826 . 1 1 1 A 73 73 LYS CA C 73 57.116 56.689 0.427 1 1 827 . 1 1 1 A 73 73 LYS CB C 73 32.782 32.954 -0.172 1 1 831 . 1 1 1 A 73 73 LYS N N 73 114.850 115.840 -0.990 1 1 832 . 1 1 1 A 74 74 LEU H H 74 7.398 7.466 -0.068 1 1 833 . 1 1 1 A 74 74 LEU HA H 74 3.983 4.033 -0.050 1 1 843 . 1 1 1 A 74 74 LEU C C 74 177.021 176.813 0.208 1 1 844 . 1 1 1 A 74 74 LEU CA C 74 56.843 56.890 -0.047 1 1 845 . 1 1 1 A 74 74 LEU CB C 74 42.625 42.764 -0.139 1 1 849 . 1 1 1 A 74 74 LEU N N 74 118.460 119.367 -0.907 1 1 850 . 1 1 1 A 75 75 GLY H H 75 7.174 7.221 -0.047 1 1 851 . 1 1 1 A 75 75 GLY HA2 H 75 4.215 4.065 0.150 1 1 852 . 1 1 1 A 75 75 GLY HA3 H 75 3.630 4.067 -0.437 1 1 853 . 1 1 1 A 75 75 GLY C C 75 172.805 173.471 -0.666 1 1 854 . 1 1 1 A 75 75 GLY CA C 75 45.360 45.690 -0.330 1 1 855 . 1 1 1 A 75 75 GLY N N 75 102.991 104.463 -1.472 1 1 856 . 1 1 1 A 76 76 ASP H H 76 8.825 8.526 0.299 1 1 857 . 1 1 1 A 76 76 ASP HA H 76 4.766 4.703 0.063 1 1 860 . 1 1 1 A 76 76 ASP C C 76 173.749 175.728 -1.979 1 1 861 . 1 1 1 A 76 76 ASP CA C 76 53.708 53.749 -0.041 1 1 862 . 1 1 1 A 76 76 ASP CB C 76 39.071 40.575 -1.504 1 1 863 . 1 1 1 A 76 76 ASP N N 76 126.839 122.005 4.834 1 1 864 . 1 1 1 A 77 77 VAL H H 77 7.511 7.416 0.095 1 1 865 . 1 1 1 A 77 77 VAL HA H 77 4.772 4.036 0.736 1 1 873 . 1 1 1 A 77 77 VAL C C 77 175.629 175.777 -0.148 1 1 874 . 1 1 1 A 77 77 VAL CA C 77 58.959 62.199 -3.240 1 1 875 . 1 1 1 A 77 77 VAL CB C 77 34.970 32.369 2.601 1 1 878 . 1 1 1 A 77 77 VAL N N 77 115.615 118.055 -2.440 1 1 879 . 1 1 1 A 78 78 ASN H H 78 8.822 8.513 0.309 1 1 880 . 1 1 1 A 78 78 ASN HA H 78 4.820 4.714 0.106 1 1 885 . 1 1 1 A 78 78 ASN C C 78 174.047 175.284 -1.237 1 1 886 . 1 1 1 A 78 78 ASN CA C 78 52.085 53.838 -1.753 1 1 887 . 1 1 1 A 78 78 ASN CB C 78 40.438 38.739 1.699 1 1 888 . 1 1 1 A 78 78 ASN N N 78 120.393 122.637 -2.244 1 1 890 . 1 1 1 A 79 79 VAL H H 79 8.044 8.464 -0.420 1 1 891 . 1 1 1 A 79 79 VAL HA H 79 4.669 4.994 -0.325 1 1 899 . 1 1 1 A 79 79 VAL C C 79 174.123 173.501 0.622 1 1 900 . 1 1 1 A 79 79 VAL CA C 79 61.491 59.459 2.032 1 1 901 . 1 1 1 A 79 79 VAL CB C 79 33.329 35.098 -1.769 1 1 904 . 1 1 1 A 79 79 VAL N N 79 122.456 117.665 4.791 1 1 905 . 1 1 1 A 80 80 TYR H H 80 8.944 8.856 0.088 1 1 906 . 1 1 1 A 80 80 TYR HA H 80 6.170 5.364 0.806 1 1 911 . 1 1 1 A 80 80 TYR C C 80 177.210 175.263 1.947 1 1 912 . 1 1 1 A 80 80 TYR CA C 80 54.929 56.163 -1.234 1 1 913 . 1 1 1 A 80 80 TYR CB C 80 42.899 42.801 0.098 1 1 914 . 1 1 1 A 80 80 TYR N N 80 123.229 122.962 0.267 1 1 915 . 1 1 1 A 81 81 THR H H 81 8.465 8.814 -0.349 1 1 916 . 1 1 1 A 81 81 THR HA H 81 5.652 5.295 0.357 1 1 921 . 1 1 1 A 81 81 THR C C 81 172.880 173.083 -0.203 1 1 922 . 1 1 1 A 81 81 THR CA C 81 62.038 61.526 0.512 1 1 923 . 1 1 1 A 81 81 THR CB C 81 71.608 71.345 0.263 1 1 925 . 1 1 1 A 81 81 THR N N 81 119.491 115.871 3.620 1 1 926 . 1 1 1 A 82 82 ILE H H 82 8.958 9.354 -0.396 1 1 927 . 1 1 1 A 82 82 ILE HA H 82 5.145 4.733 0.412 1 1 937 . 1 1 1 A 82 82 ILE C C 82 174.123 174.893 -0.770 1 1 938 . 1 1 1 A 82 82 ILE CA C 82 59.847 60.380 -0.533 1 1 939 . 1 1 1 A 82 82 ILE CB C 82 39.618 39.342 0.276 1 1 943 . 1 1 1 A 82 82 ILE N N 82 125.550 129.107 -3.557 1 1 944 . 1 1 1 A 83 83 SER H H 83 7.731 8.766 -1.035 1 1 945 . 1 1 1 A 83 83 SER HA H 83 4.909 5.288 -0.379 1 1 948 . 1 1 1 A 83 83 SER C C 83 173.182 173.359 -0.177 1 1 949 . 1 1 1 A 83 83 SER CA C 83 57.034 57.761 -0.727 1 1 950 . 1 1 1 A 83 83 SER CB C 83 68.054 67.174 0.880 1 1 951 . 1 1 1 A 83 83 SER N N 83 117.171 121.619 -4.448 1 1 952 . 1 1 1 A 84 84 ALA H H 84 9.548 8.379 1.169 1 1 953 . 1 1 1 A 84 84 ALA HA H 84 4.177 4.439 -0.262 1 1 957 . 1 1 1 A 84 84 ALA C C 84 175.290 178.088 -2.798 1 1 958 . 1 1 1 A 84 84 ALA CA C 84 51.922 51.872 0.050 1 1 959 . 1 1 1 A 84 84 ALA CB C 84 19.111 20.178 -1.067 1 1 960 . 1 1 1 A 84 84 ALA N N 84 120.651 125.360 -4.709 1 1 961 . 1 1 1 A 85 85 ASP H H 85 7.739 9.110 -1.371 1 1 962 . 1 1 1 A 85 85 ASP HA H 85 4.380 4.451 -0.071 1 1 965 . 1 1 1 A 85 85 ASP C C 85 175.591 176.946 -1.355 1 1 966 . 1 1 1 A 85 85 ASP CA C 85 55.136 57.237 -2.101 1 1 967 . 1 1 1 A 85 85 ASP CB C 85 43.011 40.884 2.127 1 1 968 . 1 1 1 A 85 85 ASP N N 85 114.721 120.630 -5.909 1 1 969 . 1 1 1 A 86 86 LEU H H 86 8.475 7.396 1.079 1 1 970 . 1 1 1 A 86 86 LEU HA H 86 3.956 4.278 -0.322 1 1 980 . 1 1 1 A 86 86 LEU CA C 86 54.656 53.231 1.425 1 1 981 . 1 1 1 A 86 86 LEU CB C 86 39.380 43.221 -3.841 1 1 985 . 1 1 1 A 87 87 PRO HA H 87 4.225 4.188 0.037 1 1 992 . 1 1 1 A 87 87 PRO CA C 87 65.046 64.762 0.284 1 1 993 . 1 1 1 A 87 87 PRO CB C 87 32.264 31.545 0.719 1 1 996 . 1 1 1 A 88 88 PHE H H 88 5.565 7.942 -2.377 1 1 997 . 1 1 1 A 88 88 PHE HA H 88 4.340 4.379 -0.039 1 1 1000 . 1 1 1 A 88 88 PHE CA C 88 57.664 60.225 -2.561 1 1 1001 . 1 1 1 A 88 88 PHE CB C 88 39.344 38.059 1.285 1 1 1002 . 1 1 1 A 88 88 PHE N N 88 110.725 116.181 -5.456 1 1 1003 . 1 1 1 A 89 89 ALA H H 89 7.381 7.846 -0.465 1 1 1004 . 1 1 1 A 89 89 ALA HA H 89 4.239 4.592 -0.353 1 1 1008 . 1 1 1 A 89 89 ALA CA C 89 52.009 52.277 -0.268 1 1 1009 . 1 1 1 A 89 89 ALA CB C 89 19.761 20.853 -1.092 1 1 1010 . 1 1 1 A 89 89 ALA N N 89 114.850 120.271 -5.421 1 1 1011 . 1 1 1 A 90 90 GLN H H 90 7.231 7.854 -0.623 1 1 1012 . 1 1 1 A 90 90 GLN HA H 90 3.695 4.549 -0.854 1 1 1018 . 1 1 1 A 90 90 GLN CA C 90 59.578 55.952 3.626 1 1 1019 . 1 1 1 A 90 90 GLN CB C 90 28.728 30.120 -1.392 1 1 1022 . 1 1 1 A 91 91 ALA H H 91 7.741 8.015 -0.274 1 1 1023 . 1 1 1 A 91 91 ALA HA H 91 4.202 3.771 0.431 1 1 1027 . 1 1 1 A 91 91 ALA CA C 91 54.382 54.006 0.376 1 1 1028 . 1 1 1 A 91 91 ALA CB C 91 18.837 18.422 0.415 1 1 1029 . 1 1 1 A 91 91 ALA N N 91 118.589 121.935 -3.346 1 1 1030 . 1 1 1 A 92 92 ARG H H 92 7.354 7.141 0.213 1 1 1031 . 1 1 1 A 92 92 ARG HA H 92 4.588 2.112 2.476 1 1 1038 . 1 1 1 A 92 92 ARG CA C 92 55.476 54.112 1.364 1 1 1039 . 1 1 1 A 92 92 ARG CB C 92 30.048 31.162 -1.114 1 1 1042 . 1 1 1 A 93 93 TRP H H 93 7.767 7.908 -0.141 1 1 1043 . 1 1 1 A 93 93 TRP HA H 93 4.881 4.258 0.623 1 1 1050 . 1 1 1 A 93 93 TRP CA C 93 57.534 58.217 -0.683 1 1 1051 . 1 1 1 A 93 93 TRP CB C 93 29.501 26.862 2.639 1 1 1052 . 1 1 1 A 93 93 TRP N N 93 121.927 118.592 3.335 1 1 1054 . 1 1 1 A 94 94 CYS HA H 94 3.901 4.400 -0.499 1 1 1057 . 1 1 1 A 94 94 CYS CA C 94 59.577 59.084 0.493 1 1 1058 . 1 1 1 A 94 94 CYS CB C 94 43.446 42.149 1.297 1 1 1059 . 1 1 1 A 95 95 GLY HA2 H 95 5.122 3.894 1.228 1 1 1060 . 1 1 1 A 95 95 GLY HA3 H 95 3.691 3.917 -0.226 1 1 1061 . 1 1 1 A 95 95 GLY CA C 95 45.511 46.825 -1.314 1 1 1062 . 1 1 1 A 96 96 ALA H H 96 7.504 8.103 -0.599 1 1 1063 . 1 1 1 A 96 96 ALA HA H 96 4.412 4.423 -0.011 1 1 1067 . 1 1 1 A 96 96 ALA CA C 96 51.699 51.171 0.528 1 1 1068 . 1 1 1 A 96 96 ALA CB C 96 21.025 19.345 1.680 1 1 1069 . 1 1 1 A 96 96 ALA N N 96 121.579 119.293 2.286 1 1 1070 . 1 1 1 A 97 97 ASN H H 97 7.345 8.148 -0.803 1 1 1071 . 1 1 1 A 97 97 ASN HA H 97 4.551 5.118 -0.567 1 1 1076 . 1 1 1 A 97 97 ASN CA C 97 54.929 51.601 3.328 1 1 1077 . 1 1 1 A 97 97 ASN CB C 97 39.071 40.091 -1.020 1 1 1079 . 1 1 1 A 98 98 GLY H H 98 8.890 8.813 0.077 1 1 1080 . 1 1 1 A 98 98 GLY HA2 H 98 3.796 3.963 -0.167 1 1 1081 . 1 1 1 A 98 98 GLY HA3 H 98 4.070 3.972 0.098 1 1 1082 . 1 1 1 A 98 98 GLY C C 98 174.160 173.679 0.481 1 1 1083 . 1 1 1 A 98 98 GLY CA C 98 45.841 44.963 0.878 1 1 1084 . 1 1 1 A 99 99 ILE H H 99 7.739 7.538 0.201 1 1 1085 . 1 1 1 A 99 99 ILE HA H 99 4.198 4.296 -0.098 1 1 1095 . 1 1 1 A 99 99 ILE C C 99 175.561 175.451 0.110 1 1 1096 . 1 1 1 A 99 99 ILE CA C 99 60.671 59.466 1.205 1 1 1097 . 1 1 1 A 99 99 ILE CB C 99 38.524 38.270 0.254 1 1 1101 . 1 1 1 A 99 99 ILE N N 99 120.780 115.416 5.364 1 1 1102 . 1 1 1 A 100 100 ASP H H 100 8.372 8.515 -0.143 1 1 1103 . 1 1 1 A 100 100 ASP HA H 100 4.426 4.153 0.273 1 1 1106 . 1 1 1 A 100 100 ASP C C 100 176.325 177.693 -1.368 1 1 1107 . 1 1 1 A 100 100 ASP CA C 100 56.023 56.929 -0.906 1 1 1108 . 1 1 1 A 100 100 ASP CB C 100 40.985 40.824 0.161 1 1 1109 . 1 1 1 A 100 100 ASP N N 100 126.194 125.685 0.509 1 1 1110 . 1 1 1 A 101 101 LYS H H 101 8.081 7.815 0.266 1 1 1111 . 1 1 1 A 101 101 LYS HA H 101 4.052 4.217 -0.165 1 1 1120 . 1 1 1 A 101 101 LYS C C 101 175.874 177.452 -1.578 1 1 1121 . 1 1 1 A 101 101 LYS CA C 101 58.210 57.827 0.383 1 1 1122 . 1 1 1 A 101 101 LYS CB C 101 31.689 32.553 -0.864 1 1 1126 . 1 1 1 A 101 101 LYS N N 101 115.366 116.619 -1.253 1 1 1127 . 1 1 1 A 102 102 VAL H H 102 7.631 7.564 0.067 1 1 1128 . 1 1 1 A 102 102 VAL HA H 102 4.419 3.969 0.450 1 1 1136 . 1 1 1 A 102 102 VAL C C 102 175.145 175.426 -0.281 1 1 1137 . 1 1 1 A 102 102 VAL CA C 102 61.919 62.946 -1.027 1 1 1138 . 1 1 1 A 102 102 VAL CB C 102 32.782 32.213 0.569 1 1 1141 . 1 1 1 A 102 102 VAL N N 102 119.362 120.112 -0.750 1 1 1142 . 1 1 1 A 103 103 GLU H H 103 8.489 8.412 0.077 1 1 1143 . 1 1 1 A 103 103 GLU HA H 103 4.931 5.095 -0.164 1 1 1148 . 1 1 1 A 103 103 GLU C C 103 175.943 175.811 0.132 1 1 1149 . 1 1 1 A 103 103 GLU CA C 103 55.140 54.662 0.478 1 1 1150 . 1 1 1 A 103 103 GLU CB C 103 33.329 33.795 -0.466 1 1 1152 . 1 1 1 A 103 103 GLU N N 103 126.581 126.370 0.211 1 1 1153 . 1 1 1 A 104 104 THR H H 104 8.690 8.784 -0.094 1 1 1154 . 1 1 1 A 104 104 THR HA H 104 5.292 5.116 0.176 1 1 1159 . 1 1 1 A 104 104 THR C C 104 173.165 174.176 -1.011 1 1 1160 . 1 1 1 A 104 104 THR CA C 104 58.757 61.167 -2.410 1 1 1161 . 1 1 1 A 104 104 THR CB C 104 69.967 70.228 -0.261 1 1 1163 . 1 1 1 A 104 104 THR N N 104 114.979 117.640 -2.661 1 1 1164 . 1 1 1 A 105 105 LEU H H 105 8.635 9.101 -0.466 1 1 1165 . 1 1 1 A 105 105 LEU HA H 105 4.979 5.288 -0.309 1 1 1175 . 1 1 1 A 105 105 LEU C C 105 176.985 175.591 1.394 1 1 1176 . 1 1 1 A 105 105 LEU CA C 105 52.849 53.570 -0.721 1 1 1177 . 1 1 1 A 105 105 LEU CB C 105 45.633 45.994 -0.361 1 1 1181 . 1 1 1 A 105 105 LEU N N 105 119.233 126.309 -7.076 1 1 1182 . 1 1 1 A 106 106 SER H H 106 9.670 9.217 0.453 1 1 1183 . 1 1 1 A 106 106 SER HA H 106 5.485 5.017 0.468 1 1 1186 . 1 1 1 A 106 106 SER C C 106 176.256 174.446 1.810 1 1 1187 . 1 1 1 A 106 106 SER CA C 106 56.570 56.759 -0.189 1 1 1188 . 1 1 1 A 106 106 SER CB C 106 65.593 63.668 1.925 1 1 1189 . 1 1 1 A 106 106 SER N N 106 114.979 118.562 -3.583 1 1 1190 . 1 1 1 A 107 107 ASP H H 107 8.764 7.956 0.808 1 1 1191 . 1 1 1 A 107 107 ASP HA H 107 5.517 4.333 1.184 1 1 1194 . 1 1 1 A 107 107 ASP CA C 107 52.753 57.300 -4.547 1 1 1195 . 1 1 1 A 107 107 ASP CB C 107 45.086 40.594 4.492 1 1 1196 . 1 1 1 A 107 107 ASP N N 107 132.898 125.419 7.479 1 1 1197 . 1 1 1 A 108 108 HIS H H 108 7.940 8.335 -0.395 1 1 1198 . 1 1 1 A 108 108 HIS HA H 108 4.075 4.111 -0.036 1 1 1200 . 1 1 1 A 108 108 HIS CA C 108 59.577 59.643 -0.066 1 1 1201 . 1 1 1 A 108 108 HIS CB C 108 29.861 30.114 -0.253 1 1 1202 . 1 1 1 A 108 108 HIS N N 108 116.397 119.456 -3.059 1 1 1203 . 1 1 1 A 109 109 ARG HA H 109 4.214 3.825 0.389 1 1 1206 . 1 1 1 A 109 109 ARG CA C 109 59.031 58.940 0.091 1 1 1207 . 1 1 1 A 109 109 ARG CB C 109 27.861 29.872 -2.011 1 1 1208 . 1 1 1 A 110 110 ASP HA H 110 4.867 4.855 0.012 1 1 1211 . 1 1 1 A 110 110 ASP C C 110 175.735 175.973 -0.238 1 1 1212 . 1 1 1 A 110 110 ASP CA C 110 53.708 53.498 0.210 1 1 1213 . 1 1 1 A 110 110 ASP CB C 110 43.875 42.540 1.335 1 1 1214 . 1 1 1 A 111 111 MET H H 111 7.899 8.457 -0.558 1 1 1215 . 1 1 1 A 111 111 MET HA H 111 4.503 4.340 0.163 1 1 1221 . 1 1 1 A 111 111 MET C C 111 177.332 175.745 1.587 1 1 1222 . 1 1 1 A 111 111 MET CA C 111 56.570 57.303 -0.733 1 1 1223 . 1 1 1 A 111 111 MET CB C 111 30.868 30.861 0.007 1 1 1226 . 1 1 1 A 111 111 MET N N 111 116.397 117.156 -0.759 1 1 1227 . 1 1 1 A 112 112 SER H H 112 7.931 8.063 -0.132 1 1 1228 . 1 1 1 A 112 112 SER HA H 112 4.248 4.181 0.067 1 1 1231 . 1 1 1 A 112 112 SER C C 112 179.173 176.120 3.053 1 1 1232 . 1 1 1 A 112 112 SER CA C 112 60.945 62.488 -1.543 1 1 1233 . 1 1 1 A 112 112 SER CB C 112 64.499 63.213 1.286 1 1 1234 . 1 1 1 A 112 112 SER N N 112 113.561 114.868 -1.307 1 1 1235 . 1 1 1 A 113 113 PHE H H 113 10.125 8.286 1.839 1 1 1236 . 1 1 1 A 113 113 PHE HA H 113 3.593 3.235 0.358 1 1 1241 . 1 1 1 A 113 113 PHE C C 113 177.437 177.745 -0.308 1 1 1242 . 1 1 1 A 113 113 PHE CA C 113 62.312 60.983 1.329 1 1 1243 . 1 1 1 A 113 113 PHE CB C 113 37.704 38.360 -0.656 1 1 1244 . 1 1 1 A 113 113 PHE N N 113 125.550 122.499 3.051 1 1 1245 . 1 1 1 A 114 114 GLY H H 114 10.707 9.066 1.641 1 1 1246 . 1 1 1 A 114 114 GLY HA2 H 114 3.396 3.729 -0.333 1 1 1247 . 1 1 1 A 114 114 GLY HA3 H 114 3.218 3.830 -0.612 1 1 1248 . 1 1 1 A 114 114 GLY C C 114 175.735 175.791 -0.056 1 1 1249 . 1 1 1 A 114 114 GLY CA C 114 48.641 47.344 1.297 1 1 1250 . 1 1 1 A 114 114 GLY N N 114 109.178 106.013 3.165 1 1 1251 . 1 1 1 A 115 115 GLU H H 115 8.251 8.487 -0.236 1 1 1252 . 1 1 1 A 115 115 GLU HA H 115 4.431 4.261 0.170 1 1 1257 . 1 1 1 A 115 115 GLU C C 115 178.756 178.617 0.139 1 1 1258 . 1 1 1 A 115 115 GLU CA C 115 59.031 58.990 0.041 1 1 1259 . 1 1 1 A 115 115 GLU CB C 115 29.775 29.626 0.149 1 1 1261 . 1 1 1 A 115 115 GLU N N 115 120.522 121.488 -0.966 1 1 1262 . 1 1 1 A 116 116 ALA H H 116 7.895 8.318 -0.423 1 1 1263 . 1 1 1 A 116 116 ALA HA H 116 4.111 4.145 -0.034 1 1 1267 . 1 1 1 A 116 116 ALA C C 116 177.610 178.947 -1.337 1 1 1268 . 1 1 1 A 116 116 ALA CA C 116 55.476 54.812 0.664 1 1 1269 . 1 1 1 A 116 116 ALA CB C 116 18.838 18.435 0.403 1 1 1270 . 1 1 1 A 116 116 ALA N N 116 123.100 122.103 0.997 1 1 1271 . 1 1 1 A 117 117 PHE H H 117 8.161 7.648 0.513 1 1 1272 . 1 1 1 A 117 117 PHE HA H 117 4.262 4.398 -0.136 1 1 1277 . 1 1 1 A 117 117 PHE C C 117 175.353 175.659 -0.306 1 1 1278 . 1 1 1 A 117 117 PHE CA C 117 56.843 57.364 -0.521 1 1 1279 . 1 1 1 A 117 117 PHE CB C 117 38.251 38.385 -0.134 1 1 1280 . 1 1 1 A 117 117 PHE N N 117 113.432 112.874 0.558 1 1 1281 . 1 1 1 A 118 118 GLY H H 118 7.685 7.921 -0.236 1 1 1282 . 1 1 1 A 118 118 GLY HA2 H 118 3.544 3.977 -0.433 1 1 1283 . 1 1 1 A 118 118 GLY HA3 H 118 4.362 3.992 0.370 1 1 1284 . 1 1 1 A 118 118 GLY C C 118 174.901 175.463 -0.562 1 1 1285 . 1 1 1 A 118 118 GLY CA C 118 47.274 46.693 0.581 1 1 1286 . 1 1 1 A 118 118 GLY N N 118 112.143 108.338 3.805 1 1 1287 . 1 1 1 A 119 119 VAL H H 119 8.380 8.021 0.359 1 1 1288 . 1 1 1 A 119 119 VAL HA H 119 4.788 4.371 0.417 1 1 1296 . 1 1 1 A 119 119 VAL C C 119 174.901 175.951 -1.050 1 1 1297 . 1 1 1 A 119 119 VAL CA C 119 59.532 63.242 -3.710 1 1 1298 . 1 1 1 A 119 119 VAL CB C 119 32.509 32.592 -0.083 1 1 1301 . 1 1 1 A 119 119 VAL N N 119 102.475 117.857 -15.382 1 1 1302 . 1 1 1 A 120 120 TYR H H 120 6.841 8.006 -1.165 1 1 1303 . 1 1 1 A 120 120 TYR HA H 120 4.484 4.549 -0.065 1 1 1308 . 1 1 1 A 120 120 TYR C C 120 173.443 175.286 -1.843 1 1 1309 . 1 1 1 A 120 120 TYR CA C 120 54.929 58.560 -3.631 1 1 1310 . 1 1 1 A 120 120 TYR CB C 120 37.704 38.848 -1.144 1 1 1311 . 1 1 1 A 120 120 TYR N N 120 124.518 124.727 -0.209 1 1 1312 . 1 1 1 A 121 121 ILE H H 121 9.244 9.125 0.119 1 1 1313 . 1 1 1 A 121 121 ILE HA H 121 4.419 4.027 0.392 1 1 1323 . 1 1 1 A 121 121 ILE C C 121 176.221 176.541 -0.320 1 1 1324 . 1 1 1 A 121 121 ILE CA C 121 62.014 61.870 0.144 1 1 1325 . 1 1 1 A 121 121 ILE CB C 121 37.704 37.121 0.583 1 1 1329 . 1 1 1 A 121 121 ILE N N 121 128.772 128.397 0.375 1 1 1330 . 1 1 1 A 122 122 LYS H H 122 9.328 8.926 0.402 1 1 1331 . 1 1 1 A 122 122 LYS HA H 122 3.588 3.473 0.115 1 1 1340 . 1 1 1 A 122 122 LYS C C 122 179.069 177.970 1.099 1 1 1341 . 1 1 1 A 122 122 LYS CA C 122 60.124 59.911 0.213 1 1 1342 . 1 1 1 A 122 122 LYS CB C 122 33.329 32.005 1.324 1 1 1346 . 1 1 1 A 122 122 LYS N N 122 134.955 129.906 5.049 1 1 1347 . 1 1 1 A 123 123 GLU H H 123 10.228 8.056 2.172 1 1 1348 . 1 1 1 A 123 123 GLU HA H 123 3.919 4.131 -0.212 1 1 1353 . 1 1 1 A 123 123 GLU C C 123 176.638 177.487 -0.849 1 1 1354 . 1 1 1 A 123 123 GLU CA C 123 61.218 58.869 2.349 1 1 1355 . 1 1 1 A 123 123 GLU CB C 123 29.228 29.884 -0.656 1 1 1357 . 1 1 1 A 123 123 GLU N N 123 115.624 118.812 -3.188 1 1 1358 . 1 1 1 A 124 124 LEU H H 124 6.480 7.654 -1.174 1 1 1359 . 1 1 1 A 124 124 LEU HA H 124 4.464 4.356 0.108 1 1 1369 . 1 1 1 A 124 124 LEU C C 124 175.403 176.337 -0.934 1 1 1370 . 1 1 1 A 124 124 LEU CA C 124 53.562 55.556 -1.994 1 1 1371 . 1 1 1 A 124 124 LEU CB C 124 44.813 43.351 1.462 1 1 1375 . 1 1 1 A 124 124 LEU N N 124 110.434 119.559 -9.125 1 1 1376 . 1 1 1 A 125 125 ARG H H 125 8.701 7.770 0.931 1 1 1377 . 1 1 1 A 125 125 ARG HA H 125 3.783 4.250 -0.467 1 1 1380 . 1 1 1 A 125 125 ARG C C 125 173.029 174.312 -1.283 1 1 1381 . 1 1 1 A 125 125 ARG CA C 125 57.664 57.282 0.382 1 1 1382 . 1 1 1 A 125 125 ARG CB C 125 30.965 27.182 3.783 1 1 1383 . 1 1 1 A 125 125 ARG N N 125 121.940 117.156 4.784 1 1 1384 . 1 1 1 A 126 126 LEU H H 126 6.671 7.617 -0.946 1 1 1385 . 1 1 1 A 126 126 LEU HA H 126 4.621 4.720 -0.099 1 1 1395 . 1 1 1 A 126 126 LEU C C 126 174.203 176.228 -2.025 1 1 1396 . 1 1 1 A 126 126 LEU CA C 126 51.922 53.230 -1.308 1 1 1397 . 1 1 1 A 126 126 LEU CB C 126 46.727 44.641 2.086 1 1 1401 . 1 1 1 A 126 126 LEU N N 126 111.885 118.547 -6.662 1 1 1402 . 1 1 1 A 127 127 LEU H H 127 8.447 8.473 -0.026 1 1 1403 . 1 1 1 A 127 127 LEU HA H 127 5.153 4.371 0.782 1 1 1413 . 1 1 1 A 127 127 LEU C C 127 175.145 177.719 -2.574 1 1 1414 . 1 1 1 A 127 127 LEU CA C 127 52.742 55.315 -2.573 1 1 1415 . 1 1 1 A 127 127 LEU CB C 127 43.172 42.004 1.168 1 1 1419 . 1 1 1 A 127 127 LEU N N 127 118.983 121.638 -2.655 1 1 1420 . 1 1 1 A 128 128 ALA H H 128 9.160 8.828 0.332 1 1 1421 . 1 1 1 A 128 128 ALA HA H 128 3.843 4.452 -0.609 1 1 1425 . 1 1 1 A 128 128 ALA C C 128 176.603 177.100 -0.497 1 1 1426 . 1 1 1 A 128 128 ALA CA C 128 52.469 52.431 0.038 1 1 1427 . 1 1 1 A 128 128 ALA CB C 128 18.291 19.220 -0.929 1 1 1428 . 1 1 1 A 128 128 ALA N N 128 121.682 126.640 -4.958 1 1 1429 . 1 1 1 A 129 129 ARG H H 129 6.254 8.734 -2.480 1 1 1430 . 1 1 1 A 129 129 ARG HA H 129 4.700 4.842 -0.142 1 1 1436 . 1 1 1 A 129 129 ARG C C 129 176.534 175.013 1.521 1 1 1437 . 1 1 1 A 129 129 ARG CA C 129 55.651 56.421 -0.770 1 1 1438 . 1 1 1 A 129 129 ARG CB C 129 29.775 30.708 -0.933 1 1 1441 . 1 1 1 A 129 129 ARG N N 129 120.393 122.931 -2.538 1 1 1442 . 1 1 1 A 130 130 SER H H 130 8.398 8.690 -0.292 1 1 1443 . 1 1 1 A 130 130 SER HA H 130 4.767 4.883 -0.116 1 1 1446 . 1 1 1 A 130 130 SER C C 130 172.957 172.521 0.436 1 1 1447 . 1 1 1 A 130 130 SER CA C 130 57.658 57.413 0.245 1 1 1448 . 1 1 1 A 130 130 SER CB C 130 63.679 67.651 -3.972 1 1 1449 . 1 1 1 A 130 130 SER N N 130 120.264 122.441 -2.177 1 1 1450 . 1 1 1 A 131 131 VAL H H 131 7.838 7.800 0.038 1 1 1451 . 1 1 1 A 131 131 VAL HA H 131 5.086 4.710 0.376 1 1 1459 . 1 1 1 A 131 131 VAL C C 131 172.853 173.002 -0.149 1 1 1460 . 1 1 1 A 131 131 VAL CA C 131 60.746 60.082 0.664 1 1 1461 . 1 1 1 A 131 131 VAL CB C 131 36.610 34.750 1.860 1 1 1464 . 1 1 1 A 131 131 VAL N N 131 118.460 120.557 -2.097 1 1 1465 . 1 1 1 A 132 132 PHE H H 132 9.259 9.348 -0.089 1 1 1466 . 1 1 1 A 132 132 PHE HA H 132 5.583 5.433 0.150 1 1 1470 . 1 1 1 A 132 132 PHE C C 132 174.797 174.939 -0.142 1 1 1471 . 1 1 1 A 132 132 PHE CA C 132 56.296 56.222 0.074 1 1 1472 . 1 1 1 A 132 132 PHE CB C 132 44.539 43.908 0.631 1 1 1473 . 1 1 1 A 132 132 PHE N N 132 121.682 125.034 -3.352 1 1 1474 . 1 1 1 A 133 133 VAL H H 133 8.907 8.703 0.204 1 1 1475 . 1 1 1 A 133 133 VAL HA H 133 5.331 5.098 0.233 1 1 1483 . 1 1 1 A 133 133 VAL C C 133 174.450 175.115 -0.665 1 1 1484 . 1 1 1 A 133 133 VAL CA C 133 61.491 60.674 0.817 1 1 1485 . 1 1 1 A 133 133 VAL CB C 133 34.696 35.937 -1.241 1 1 1488 . 1 1 1 A 133 133 VAL N N 133 119.878 120.188 -0.310 1 1 1489 . 1 1 1 A 134 134 LEU H H 134 9.976 9.192 0.784 1 1 1490 . 1 1 1 A 134 134 LEU HA H 134 5.680 5.281 0.399 1 1 1500 . 1 1 1 A 134 134 LEU C C 134 176.777 175.379 1.398 1 1 1501 . 1 1 1 A 134 134 LEU CA C 134 52.195 53.388 -1.193 1 1 1502 . 1 1 1 A 134 134 LEU CB C 134 44.813 45.972 -1.159 1 1 1506 . 1 1 1 A 134 134 LEU N N 134 129.417 126.682 2.735 1 1 1507 . 1 1 1 A 135 135 ASP H H 135 9.051 9.084 -0.033 1 1 1508 . 1 1 1 A 135 135 ASP HA H 135 4.708 4.729 -0.021 1 1 1511 . 1 1 1 A 135 135 ASP C C 135 177.193 177.386 -0.193 1 1 1512 . 1 1 1 A 135 135 ASP CA C 135 52.276 53.794 -1.518 1 1 1513 . 1 1 1 A 135 135 ASP CB C 135 40.711 42.142 -1.431 1 1 1514 . 1 1 1 A 135 135 ASP N N 135 119.362 124.980 -5.618 1 1 1515 . 1 1 1 A 136 136 GLU H H 136 9.970 8.925 1.045 1 1 1516 . 1 1 1 A 136 136 GLU HA H 136 3.953 4.217 -0.264 1 1 1521 . 1 1 1 A 136 136 GLU C C 136 177.055 178.195 -1.140 1 1 1522 . 1 1 1 A 136 136 GLU CA C 136 58.757 59.408 -0.651 1 1 1523 . 1 1 1 A 136 136 GLU CB C 136 28.681 29.371 -0.690 1 1 1525 . 1 1 1 A 136 136 GLU N N 136 116.011 124.022 -8.011 1 1 1526 . 1 1 1 A 137 137 ASN H H 137 8.514 8.530 -0.016 1 1 1527 . 1 1 1 A 137 137 ASN HA H 137 5.026 4.790 0.236 1 1 1532 . 1 1 1 A 137 137 ASN C C 137 175.943 175.824 0.119 1 1 1533 . 1 1 1 A 137 137 ASN CA C 137 52.753 53.401 -0.648 1 1 1534 . 1 1 1 A 137 137 ASN CB C 137 40.164 38.739 1.425 1 1 1535 . 1 1 1 A 137 137 ASN N N 137 117.042 115.891 1.151 1 1 1537 . 1 1 1 A 138 138 GLY H H 138 8.430 8.576 -0.146 1 1 1538 . 1 1 1 A 138 138 GLY HA2 H 138 3.690 3.999 -0.309 1 1 1539 . 1 1 1 A 138 138 GLY HA3 H 138 4.213 4.030 0.183 1 1 1540 . 1 1 1 A 138 138 GLY C C 138 172.436 174.313 -1.877 1 1 1541 . 1 1 1 A 138 138 GLY CA C 138 46.180 45.445 0.735 1 1 1542 . 1 1 1 A 138 138 GLY N N 138 109.565 108.376 1.189 1 1 1543 . 1 1 1 A 139 139 LYS H H 139 8.573 8.013 0.560 1 1 1544 . 1 1 1 A 139 139 LYS HA H 139 4.472 4.270 0.202 1 1 1553 . 1 1 1 A 139 139 LYS C C 139 176.742 175.754 0.988 1 1 1554 . 1 1 1 A 139 139 LYS CA C 139 56.195 56.250 -0.055 1 1 1555 . 1 1 1 A 139 139 LYS CB C 139 32.782 32.770 0.012 1 1 1559 . 1 1 1 A 139 139 LYS N N 139 123.358 122.511 0.847 1 1 1560 . 1 1 1 A 140 140 VAL H H 140 9.102 8.552 0.550 1 1 1561 . 1 1 1 A 140 140 VAL HA H 140 4.293 4.458 -0.165 1 1 1569 . 1 1 1 A 140 140 VAL C C 140 177.124 175.641 1.483 1 1 1570 . 1 1 1 A 140 140 VAL CA C 140 63.952 62.381 1.571 1 1 1571 . 1 1 1 A 140 140 VAL CB C 140 31.142 32.397 -1.255 1 1 1574 . 1 1 1 A 140 140 VAL N N 140 125.292 124.925 0.367 1 1 1575 . 1 1 1 A 141 141 VAL H H 141 9.332 9.549 -0.217 1 1 1576 . 1 1 1 A 141 141 VAL HA H 141 4.670 4.489 0.181 1 1 1584 . 1 1 1 A 141 141 VAL C C 141 175.249 175.016 0.233 1 1 1585 . 1 1 1 A 141 141 VAL CA C 141 61.491 62.629 -1.138 1 1 1586 . 1 1 1 A 141 141 VAL CB C 141 32.509 33.859 -1.350 1 1 1589 . 1 1 1 A 141 141 VAL N N 141 124.261 125.269 -1.008 1 1 1590 . 1 1 1 A 142 142 TYR H H 142 7.959 7.525 0.434 1 1 1591 . 1 1 1 A 142 142 TYR HA H 142 4.389 4.799 -0.410 1 1 1596 . 1 1 1 A 142 142 TYR C C 142 172.262 173.465 -1.203 1 1 1597 . 1 1 1 A 142 142 TYR CA C 142 58.757 58.227 0.530 1 1 1598 . 1 1 1 A 142 142 TYR CB C 142 41.805 41.630 0.175 1 1 1599 . 1 1 1 A 142 142 TYR N N 142 122.198 121.935 0.263 1 1 1600 . 1 1 1 A 143 143 ALA H H 143 7.642 7.936 -0.294 1 1 1601 . 1 1 1 A 143 143 ALA HA H 143 4.883 4.943 -0.060 1 1 1605 . 1 1 1 A 143 143 ALA C C 143 175.353 175.111 0.242 1 1 1606 . 1 1 1 A 143 143 ALA CA C 143 51.703 51.288 0.415 1 1 1607 . 1 1 1 A 143 143 ALA CB C 143 22.666 23.142 -0.476 1 1 1608 . 1 1 1 A 143 143 ALA N N 143 129.804 127.734 2.070 1 1 1609 . 1 1 1 A 144 144 GLU H H 144 8.292 7.969 0.323 1 1 1610 . 1 1 1 A 144 144 GLU HA H 144 4.297 4.620 -0.323 1 1 1615 . 1 1 1 A 144 144 GLU C C 144 173.860 173.631 0.229 1 1 1616 . 1 1 1 A 144 144 GLU CA C 144 56.296 55.292 1.004 1 1 1617 . 1 1 1 A 144 144 GLU CB C 144 32.509 33.880 -1.371 1 1 1619 . 1 1 1 A 144 144 GLU N N 144 122.198 120.952 1.246 1 1 1620 . 1 1 1 A 145 145 TYR H H 145 9.006 9.036 -0.030 1 1 1621 . 1 1 1 A 145 145 TYR HA H 145 4.125 5.039 -0.914 1 1 1626 . 1 1 1 A 145 145 TYR C C 145 175.164 175.218 -0.054 1 1 1627 . 1 1 1 A 145 145 TYR CA C 145 57.117 57.112 0.005 1 1 1628 . 1 1 1 A 145 145 TYR CB C 145 38.251 40.587 -2.336 1 1 1629 . 1 1 1 A 145 145 TYR N N 145 128.128 124.079 4.049 1 1 1630 . 1 1 1 A 146 146 VAL H H 146 7.441 8.795 -1.354 1 1 1631 . 1 1 1 A 146 146 VAL HA H 146 3.672 4.021 -0.349 1 1 1639 . 1 1 1 A 146 146 VAL C C 146 176.777 176.236 0.541 1 1 1640 . 1 1 1 A 146 146 VAL CA C 146 64.226 63.584 0.642 1 1 1641 . 1 1 1 A 146 146 VAL CB C 146 30.868 31.719 -0.851 1 1 1644 . 1 1 1 A 146 146 VAL N N 146 125.808 126.070 -0.262 1 1 1645 . 1 1 1 A 147 147 SER H H 147 8.359 8.638 -0.279 1 1 1646 . 1 1 1 A 147 147 SER HA H 147 4.007 4.341 -0.334 1 1 1649 . 1 1 1 A 147 147 SER C C 147 172.123 174.545 -2.422 1 1 1650 . 1 1 1 A 147 147 SER CA C 147 63.132 61.140 1.992 1 1 1651 . 1 1 1 A 147 147 SER CB C 147 62.859 63.043 -0.184 1 1 1652 . 1 1 1 A 147 147 SER N N 147 121.425 121.525 -0.100 1 1 1653 . 1 1 1 A 148 148 GLU H H 148 7.177 7.948 -0.771 1 1 1654 . 1 1 1 A 148 148 GLU HA H 148 5.055 4.973 0.082 1 1 1659 . 1 1 1 A 148 148 GLU C C 148 176.082 176.257 -0.175 1 1 1660 . 1 1 1 A 148 148 GLU CA C 148 52.563 55.215 -2.652 1 1 1661 . 1 1 1 A 148 148 GLU CB C 148 29.774 32.367 -2.593 1 1 1663 . 1 1 1 A 148 148 GLU N N 148 119.620 120.587 -0.967 1 1 1664 . 1 1 1 A 149 149 ALA H H 149 9.142 9.531 -0.389 1 1 1665 . 1 1 1 A 149 149 ALA HA H 149 4.704 4.041 0.663 1 1 1669 . 1 1 1 A 149 149 ALA C C 149 177.437 178.455 -1.018 1 1 1670 . 1 1 1 A 149 149 ALA CA C 149 54.466 54.922 -0.456 1 1 1671 . 1 1 1 A 149 149 ALA CB C 149 19.111 18.692 0.419 1 1 1672 . 1 1 1 A 149 149 ALA N N 149 127.741 129.566 -1.825 1 1 1673 . 1 1 1 A 150 150 THR H H 150 8.200 7.443 0.757 1 1 1674 . 1 1 1 A 150 150 THR HA H 150 4.393 4.276 0.117 1 1 1679 . 1 1 1 A 150 150 THR C C 150 174.554 173.386 1.168 1 1 1680 . 1 1 1 A 150 150 THR CA C 150 62.312 62.382 -0.070 1 1 1681 . 1 1 1 A 150 150 THR CB C 150 69.694 69.214 0.480 1 1 1683 . 1 1 1 A 150 150 THR N N 150 104.453 106.696 -2.243 1 1 1684 . 1 1 1 A 151 151 ASN H H 151 7.984 7.498 0.486 1 1 1685 . 1 1 1 A 151 151 ASN HA H 151 4.947 5.161 -0.214 1 1 1690 . 1 1 1 A 151 151 ASN C C 151 174.554 173.977 0.577 1 1 1691 . 1 1 1 A 151 151 ASN CA C 151 51.135 51.230 -0.095 1 1 1692 . 1 1 1 A 151 151 ASN CB C 151 39.344 41.919 -2.575 1 1 1693 . 1 1 1 A 151 151 ASN N N 151 123.487 121.434 2.053 1 1 1695 . 1 1 1 A 152 152 HIS H H 152 8.160 8.881 -0.721 1 1 1696 . 1 1 1 A 152 152 HIS HA H 152 4.731 5.488 -0.757 1 1 1700 . 1 1 1 A 152 152 HIS C C 152 174.381 173.103 1.278 1 1 1701 . 1 1 1 A 152 152 HIS CA C 152 54.854 53.126 1.728 1 1 1702 . 1 1 1 A 152 152 HIS CB C 152 31.415 33.099 -1.684 1 1 1703 . 1 1 1 A 152 152 HIS N N 152 116.139 116.449 -0.310 1 1 1704 . 1 1 1 A 153 153 PRO HA H 153 4.335 4.451 -0.116 1 1 1709 . 1 1 1 A 153 153 PRO C C 153 173.894 176.272 -2.378 1 1 1710 . 1 1 1 A 153 153 PRO CA C 153 61.491 62.153 -0.662 1 1 1711 . 1 1 1 A 153 153 PRO CB C 153 32.782 32.327 0.455 1 1 1714 . 1 1 1 A 154 154 ASN H H 154 9.511 8.601 0.910 1 1 1715 . 1 1 1 A 154 154 ASN HA H 154 4.306 4.687 -0.381 1 1 1720 . 1 1 1 A 154 154 ASN C C 154 176.568 176.129 0.439 1 1 1721 . 1 1 1 A 154 154 ASN CA C 154 54.656 53.103 1.553 1 1 1722 . 1 1 1 A 154 154 ASN CB C 154 39.071 39.028 0.043 1 1 1723 . 1 1 1 A 154 154 ASN N N 154 118.718 119.575 -0.857 1 1 1725 . 1 1 1 A 155 155 TYR H H 155 8.691 8.250 0.441 1 1 1726 . 1 1 1 A 155 155 TYR HA H 155 4.364 4.448 -0.084 1 1 1731 . 1 1 1 A 155 155 TYR C C 155 176.256 177.216 -0.960 1 1 1732 . 1 1 1 A 155 155 TYR CA C 155 59.304 58.213 1.091 1 1 1733 . 1 1 1 A 155 155 TYR CB C 155 39.344 38.540 0.804 1 1 1734 . 1 1 1 A 155 155 TYR N N 155 125.421 125.734 -0.313 1 1 1735 . 1 1 1 A 156 156 GLU H H 156 8.200 8.630 -0.430 1 1 1736 . 1 1 1 A 156 156 GLU HA H 156 4.415 3.994 0.421 1 1 1741 . 1 1 1 A 156 156 GLU C C 156 178.583 178.985 -0.402 1 1 1742 . 1 1 1 A 156 156 GLU CA C 156 58.757 59.884 -1.127 1 1 1743 . 1 1 1 A 156 156 GLU CB C 156 30.868 29.041 1.827 1 1 1745 . 1 1 1 A 156 156 GLU N N 156 119.878 122.773 -2.895 1 1 1746 . 1 1 1 A 157 157 LYS H H 157 8.718 7.436 1.282 1 1 1747 . 1 1 1 A 157 157 LYS HA H 157 4.095 4.060 0.035 1 1 1756 . 1 1 1 A 157 157 LYS C C 157 176.152 175.511 0.641 1 1 1757 . 1 1 1 A 157 157 LYS CA C 157 60.398 61.415 -1.017 1 1 1758 . 1 1 1 A 157 157 LYS CB C 157 30.595 30.877 -0.282 1 1 1762 . 1 1 1 A 157 157 LYS N N 157 121.167 119.831 1.336 1 1 1763 . 1 1 1 A 158 158 PRO HA H 158 3.116 3.793 -0.677 1 1 1770 . 1 1 1 A 158 158 PRO C C 158 177.853 179.441 -1.588 1 1 1771 . 1 1 1 A 158 158 PRO CA C 158 65.319 64.942 0.377 1 1 1772 . 1 1 1 A 158 158 PRO CB C 158 30.595 30.479 0.116 1 1 1775 . 1 1 1 A 159 159 ILE H H 159 6.215 7.208 -0.993 1 1 1776 . 1 1 1 A 159 159 ILE HA H 159 3.594 3.805 -0.211 1 1 1786 . 1 1 1 A 159 159 ILE C C 159 177.610 177.637 -0.027 1 1 1787 . 1 1 1 A 159 159 ILE CA C 159 62.312 64.357 -2.045 1 1 1788 . 1 1 1 A 159 159 ILE CB C 159 35.516 37.885 -2.369 1 1 1792 . 1 1 1 A 159 159 ILE N N 159 113.948 116.501 -2.553 1 1 1793 . 1 1 1 A 160 160 GLU H H 160 7.572 8.704 -1.132 1 1 1794 . 1 1 1 A 160 160 GLU HA H 160 3.876 3.992 -0.116 1 1 1799 . 1 1 1 A 160 160 GLU C C 160 179.277 179.092 0.185 1 1 1800 . 1 1 1 A 160 160 GLU CA C 160 59.304 59.174 0.130 1 1 1801 . 1 1 1 A 160 160 GLU CB C 160 29.774 29.763 0.011 1 1 1803 . 1 1 1 A 160 160 GLU N N 160 119.104 120.359 -1.255 1 1 1804 . 1 1 1 A 161 161 ALA H H 161 7.902 8.208 -0.306 1 1 1805 . 1 1 1 A 161 161 ALA HA H 161 4.137 4.191 -0.054 1 1 1809 . 1 1 1 A 161 161 ALA C C 161 179.485 180.059 -0.574 1 1 1810 . 1 1 1 A 161 161 ALA CA C 161 54.656 55.047 -0.391 1 1 1811 . 1 1 1 A 161 161 ALA CB C 161 18.017 17.928 0.089 1 1 1812 . 1 1 1 A 161 161 ALA N N 161 120.393 123.888 -3.495 1 1 1813 . 1 1 1 A 162 162 ALA H H 162 7.734 8.129 -0.395 1 1 1814 . 1 1 1 A 162 162 ALA HA H 162 3.950 4.114 -0.164 1 1 1818 . 1 1 1 A 162 162 ALA C C 162 179.485 179.841 -0.356 1 1 1819 . 1 1 1 A 162 162 ALA CA C 162 54.656 55.207 -0.551 1 1 1820 . 1 1 1 A 162 162 ALA CB C 162 19.111 18.128 0.983 1 1 1821 . 1 1 1 A 162 162 ALA N N 162 118.202 120.451 -2.249 1 1 1822 . 1 1 1 A 163 163 LYS H H 163 8.760 8.590 0.170 1 1 1823 . 1 1 1 A 163 163 LYS HA H 163 3.842 3.988 -0.146 1 1 1832 . 1 1 1 A 163 163 LYS C C 163 178.201 179.424 -1.223 1 1 1833 . 1 1 1 A 163 163 LYS CA C 163 59.578 59.354 0.224 1 1 1834 . 1 1 1 A 163 163 LYS CB C 163 32.782 32.363 0.419 1 1 1838 . 1 1 1 A 163 163 LYS N N 163 118.202 117.116 1.086 1 1 1839 . 1 1 1 A 164 164 ALA H H 164 7.216 8.661 -1.445 1 1 1840 . 1 1 1 A 164 164 ALA HA H 164 4.215 4.067 0.148 1 1 1844 . 1 1 1 A 164 164 ALA C C 164 178.339 179.935 -1.596 1 1 1845 . 1 1 1 A 164 164 ALA CA C 164 53.836 54.783 -0.947 1 1 1846 . 1 1 1 A 164 164 ALA CB C 164 18.291 18.774 -0.483 1 1 1847 . 1 1 1 A 164 164 ALA N N 164 117.557 121.747 -4.190 1 1 1848 . 1 1 1 A 165 165 LEU H H 165 7.503 7.641 -0.138 1 1 1849 . 1 1 1 A 165 165 LEU HA H 165 4.432 4.216 0.216 1 1 1859 . 1 1 1 A 165 165 LEU C C 165 177.714 179.064 -1.350 1 1 1860 . 1 1 1 A 165 165 LEU CA C 165 54.929 57.540 -2.611 1 1 1861 . 1 1 1 A 165 165 LEU CB C 165 44.256 42.086 2.170 1 1 1865 . 1 1 1 A 165 165 LEU N N 165 115.753 120.145 -4.392 1 1 1866 . 1 1 1 A 166 166 VAL H H 166 7.337 8.097 -0.760 1 1 1867 . 1 1 1 A 166 166 VAL HA H 166 4.103 3.532 0.571 1 1 1875 . 1 1 1 A 166 166 VAL C C 166 175.040 178.038 -2.998 1 1 1876 . 1 1 1 A 166 166 VAL CA C 166 62.859 66.751 -3.892 1 1 1877 . 1 1 1 A 166 166 VAL CB C 166 32.509 31.350 1.159 1 1 1880 . 1 1 1 A 166 166 VAL N N 166 118.589 117.818 0.771 1 1 1 . 2 1 1 A 2 2 ALA HA H 2 3.876 4.759 -0.883 1 1 5 . 2 1 1 A 2 2 ALA C C 2 172.590 176.096 -3.506 1 1 6 . 2 1 1 A 2 2 ALA CA C 2 51.922 50.831 1.091 1 1 7 . 2 1 1 A 2 2 ALA CB C 2 18.924 19.283 -0.359 1 1 8 . 2 1 1 A 3 3 GLU H H 3 8.262 7.477 0.785 1 1 9 . 2 1 1 A 3 3 GLU HA H 3 4.641 4.306 0.335 1 1 14 . 2 1 1 A 3 3 GLU C C 3 175.157 176.155 -0.998 1 1 15 . 2 1 1 A 3 3 GLU CA C 3 55.476 56.044 -0.568 1 1 16 . 2 1 1 A 3 3 GLU CB C 3 31.142 30.291 0.851 1 1 18 . 2 1 1 A 3 3 GLU N N 3 121.167 116.229 4.938 1 1 19 . 2 1 1 A 4 4 ILE H H 4 9.053 8.642 0.411 1 1 20 . 2 1 1 A 4 4 ILE HA H 4 5.361 5.065 0.296 1 1 30 . 2 1 1 A 4 4 ILE C C 4 175.817 174.795 1.022 1 1 31 . 2 1 1 A 4 4 ILE CA C 4 59.304 58.920 0.384 1 1 32 . 2 1 1 A 4 4 ILE CB C 4 42.079 42.632 -0.553 1 1 36 . 2 1 1 A 4 4 ILE N N 4 124.776 114.620 10.156 1 1 37 . 2 1 1 A 5 5 THR H H 5 8.977 8.282 0.695 1 1 38 . 2 1 1 A 5 5 THR HA H 5 5.141 5.506 -0.365 1 1 43 . 2 1 1 A 5 5 THR C C 5 173.483 173.407 0.076 1 1 44 . 2 1 1 A 5 5 THR CA C 5 59.304 60.501 -1.197 1 1 45 . 2 1 1 A 5 5 THR CB C 5 73.249 72.023 1.226 1 1 47 . 2 1 1 A 5 5 THR N N 5 112.659 115.873 -3.214 1 1 48 . 2 1 1 A 6 6 PHE H H 6 9.173 9.495 -0.322 1 1 49 . 2 1 1 A 6 6 PHE HA H 6 4.866 5.095 -0.229 1 1 53 . 2 1 1 A 6 6 PHE C C 6 175.591 174.741 0.850 1 1 54 . 2 1 1 A 6 6 PHE CA C 6 58.054 57.278 0.776 1 1 55 . 2 1 1 A 6 6 PHE CB C 6 42.625 42.114 0.511 1 1 56 . 2 1 1 A 6 6 PHE N N 6 119.362 124.859 -5.497 1 1 57 . 2 1 1 A 7 7 LYS H H 7 11.130 9.667 1.463 1 1 58 . 2 1 1 A 7 7 LYS HA H 7 3.567 3.828 -0.261 1 1 67 . 2 1 1 A 7 7 LYS C C 7 177.661 176.485 1.176 1 1 68 . 2 1 1 A 7 7 LYS CA C 7 57.390 57.081 0.309 1 1 69 . 2 1 1 A 7 7 LYS CB C 7 29.222 30.312 -1.090 1 1 73 . 2 1 1 A 7 7 LYS N N 7 134.058 127.898 6.160 1 1 74 . 2 1 1 A 8 8 GLY H H 8 8.965 8.600 0.365 1 1 75 . 2 1 1 A 8 8 GLY HA2 H 8 4.244 3.871 0.373 1 1 76 . 2 1 1 A 8 8 GLY HA3 H 8 3.528 3.872 -0.344 1 1 77 . 2 1 1 A 8 8 GLY C C 8 173.822 173.901 -0.079 1 1 78 . 2 1 1 A 8 8 GLY CA C 8 45.360 45.067 0.293 1 1 79 . 2 1 1 A 8 8 GLY N N 8 104.280 105.330 -1.050 1 1 80 . 2 1 1 A 9 9 GLY H H 9 7.942 8.093 -0.151 1 1 81 . 2 1 1 A 9 9 GLY HA2 H 9 4.815 4.165 0.650 1 1 82 . 2 1 1 A 9 9 GLY HA3 H 9 3.715 4.195 -0.480 1 1 83 . 2 1 1 A 9 9 GLY C C 9 171.262 173.334 -2.072 1 1 84 . 2 1 1 A 9 9 GLY CA C 9 43.172 44.841 -1.669 1 1 85 . 2 1 1 A 9 9 GLY N N 9 109.823 108.077 1.746 1 1 86 . 2 1 1 A 10 10 PRO HA H 10 4.640 4.910 -0.270 1 1 93 . 2 1 1 A 10 10 PRO C C 10 177.097 176.386 0.711 1 1 94 . 2 1 1 A 10 10 PRO CA C 10 63.952 62.901 1.051 1 1 95 . 2 1 1 A 10 10 PRO CB C 10 32.509 32.265 0.244 1 1 98 . 2 1 1 A 11 11 VAL H H 11 7.770 8.668 -0.898 1 1 99 . 2 1 1 A 11 11 VAL HA H 11 4.632 4.853 -0.221 1 1 107 . 2 1 1 A 11 11 VAL C C 11 174.462 174.379 0.083 1 1 108 . 2 1 1 A 11 11 VAL CA C 11 59.304 59.509 -0.205 1 1 109 . 2 1 1 A 11 11 VAL CB C 11 35.516 35.529 -0.013 1 1 112 . 2 1 1 A 11 11 VAL N N 11 115.495 116.864 -1.369 1 1 113 . 2 1 1 A 12 12 THR H H 12 10.773 8.635 2.138 1 1 114 . 2 1 1 A 12 12 THR HA H 12 4.425 4.520 -0.095 1 1 119 . 2 1 1 A 12 12 THR C C 12 173.505 174.006 -0.501 1 1 120 . 2 1 1 A 12 12 THR CA C 12 62.312 62.138 0.174 1 1 121 . 2 1 1 A 12 12 THR CB C 12 69.694 69.746 -0.052 1 1 123 . 2 1 1 A 12 12 THR N N 12 121.940 120.439 1.501 1 1 124 . 2 1 1 A 13 13 LEU H H 13 8.524 8.680 -0.156 1 1 125 . 2 1 1 A 13 13 LEU HA H 13 5.132 4.826 0.306 1 1 135 . 2 1 1 A 13 13 LEU C C 13 177.285 176.866 0.419 1 1 136 . 2 1 1 A 13 13 LEU CA C 13 53.289 53.298 -0.009 1 1 137 . 2 1 1 A 13 13 LEU CB C 13 42.352 43.798 -1.446 1 1 141 . 2 1 1 A 13 13 LEU N N 13 125.550 124.953 0.597 1 1 142 . 2 1 1 A 14 14 VAL H H 14 8.962 8.848 0.114 1 1 143 . 2 1 1 A 14 14 VAL HA H 14 3.859 3.694 0.165 1 1 151 . 2 1 1 A 14 14 VAL C C 14 174.604 177.957 -3.353 1 1 152 . 2 1 1 A 14 14 VAL CA C 14 62.312 66.023 -3.711 1 1 153 . 2 1 1 A 14 14 VAL CB C 14 32.509 32.302 0.207 1 1 156 . 2 1 1 A 14 14 VAL N N 14 126.968 122.116 4.852 1 1 157 . 2 1 1 A 15 15 GLY H H 15 7.838 7.954 -0.116 1 1 158 . 2 1 1 A 15 15 GLY HA2 H 15 5.132 3.932 1.200 1 1 159 . 2 1 1 A 15 15 GLY HA3 H 15 3.730 3.946 -0.216 1 1 160 . 2 1 1 A 15 15 GLY C C 15 174.542 174.269 0.273 1 1 161 . 2 1 1 A 15 15 GLY CA C 15 43.446 45.595 -2.149 1 1 162 . 2 1 1 A 15 15 GLY N N 15 110.596 108.648 1.948 1 1 163 . 2 1 1 A 16 16 GLN H H 16 8.247 7.525 0.722 1 1 164 . 2 1 1 A 16 16 GLN HA H 16 4.347 4.077 0.270 1 1 171 . 2 1 1 A 16 16 GLN C C 16 174.876 175.822 -0.946 1 1 172 . 2 1 1 A 16 16 GLN CA C 16 54.656 55.926 -1.270 1 1 173 . 2 1 1 A 16 16 GLN CB C 16 30.321 29.286 1.035 1 1 175 . 2 1 1 A 16 16 GLN N N 16 120.522 118.445 2.077 1 1 177 . 2 1 1 A 17 17 GLU H H 17 8.149 8.603 -0.454 1 1 178 . 2 1 1 A 17 17 GLU HA H 17 3.938 4.003 -0.065 1 1 183 . 2 1 1 A 17 17 GLU C C 17 176.607 175.754 0.853 1 1 184 . 2 1 1 A 17 17 GLU CA C 17 57.117 57.573 -0.456 1 1 185 . 2 1 1 A 17 17 GLU CB C 17 30.321 28.984 1.337 1 1 187 . 2 1 1 A 17 17 GLU N N 17 123.616 120.194 3.422 1 1 188 . 2 1 1 A 18 18 VAL H H 18 8.605 8.298 0.307 1 1 189 . 2 1 1 A 18 18 VAL HA H 18 4.047 3.998 0.049 1 1 197 . 2 1 1 A 18 18 VAL C C 18 174.386 175.691 -1.305 1 1 198 . 2 1 1 A 18 18 VAL CA C 18 61.765 63.555 -1.790 1 1 199 . 2 1 1 A 18 18 VAL CB C 18 32.782 32.004 0.778 1 1 202 . 2 1 1 A 18 18 VAL N N 18 125.936 120.434 5.502 1 1 203 . 2 1 1 A 19 19 LYS H H 19 8.461 8.762 -0.301 1 1 204 . 2 1 1 A 19 19 LYS HA H 19 4.624 4.902 -0.278 1 1 213 . 2 1 1 A 19 19 LYS C C 19 176.457 174.801 1.656 1 1 214 . 2 1 1 A 19 19 LYS CA C 19 53.562 54.546 -0.984 1 1 215 . 2 1 1 A 19 19 LYS CB C 19 34.423 35.953 -1.530 1 1 219 . 2 1 1 A 19 19 LYS N N 19 123.874 122.714 1.160 1 1 220 . 2 1 1 A 20 20 VAL H H 20 8.349 8.453 -0.104 1 1 221 . 2 1 1 A 20 20 VAL HA H 20 3.421 3.869 -0.448 1 1 229 . 2 1 1 A 20 20 VAL C C 20 177.624 176.905 0.719 1 1 230 . 2 1 1 A 20 20 VAL CA C 20 65.593 63.398 2.195 1 1 231 . 2 1 1 A 20 20 VAL CB C 20 31.415 31.572 -0.157 1 1 234 . 2 1 1 A 20 20 VAL N N 20 120.393 122.321 -1.928 1 1 235 . 2 1 1 A 21 21 GLY H H 21 9.338 9.404 -0.066 1 1 236 . 2 1 1 A 21 21 GLY HA2 H 21 4.566 4.037 0.529 1 1 237 . 2 1 1 A 21 21 GLY HA3 H 21 3.536 4.044 -0.508 1 1 238 . 2 1 1 A 21 21 GLY C C 21 174.160 174.653 -0.493 1 1 239 . 2 1 1 A 21 21 GLY CA C 21 44.539 45.289 -0.750 1 1 240 . 2 1 1 A 21 21 GLY N N 21 117.429 117.835 -0.406 1 1 241 . 2 1 1 A 22 22 ASP H H 22 8.222 7.960 0.262 1 1 242 . 2 1 1 A 22 22 ASP HA H 22 4.650 4.536 0.114 1 1 245 . 2 1 1 A 22 22 ASP C C 22 176.231 175.785 0.446 1 1 246 . 2 1 1 A 22 22 ASP CA C 22 54.382 55.304 -0.922 1 1 247 . 2 1 1 A 22 22 ASP CB C 22 40.985 41.413 -0.428 1 1 248 . 2 1 1 A 22 22 ASP N N 22 121.811 121.561 0.250 1 1 249 . 2 1 1 A 23 23 GLN H H 23 8.598 8.025 0.573 1 1 250 . 2 1 1 A 23 23 GLN HA H 23 4.224 4.316 -0.092 1 1 257 . 2 1 1 A 23 23 GLN C C 23 175.892 174.408 1.484 1 1 258 . 2 1 1 A 23 23 GLN CA C 23 55.203 58.230 -3.027 1 1 259 . 2 1 1 A 23 23 GLN CB C 23 28.954 27.786 1.168 1 1 261 . 2 1 1 A 23 23 GLN N N 23 119.491 117.116 2.375 1 1 263 . 2 1 1 A 24 24 ALA H H 24 8.664 8.481 0.183 1 1 264 . 2 1 1 A 24 24 ALA HA H 24 4.030 4.696 -0.666 1 1 268 . 2 1 1 A 24 24 ALA C C 24 174.386 175.167 -0.781 1 1 269 . 2 1 1 A 24 24 ALA CA C 24 51.101 49.591 1.510 1 1 270 . 2 1 1 A 24 24 ALA CB C 24 19.111 22.241 -3.130 1 1 271 . 2 1 1 A 24 24 ALA N N 24 129.804 122.372 7.432 1 1 272 . 2 1 1 A 25 25 PRO HA H 25 4.422 4.650 -0.228 1 1 279 . 2 1 1 A 25 25 PRO C C 25 173.596 176.118 -2.522 1 1 280 . 2 1 1 A 25 25 PRO CA C 25 61.765 62.524 -0.759 1 1 281 . 2 1 1 A 25 25 PRO CB C 25 32.509 32.418 0.091 1 1 284 . 2 1 1 A 26 26 ASP H H 26 7.546 8.557 -1.011 1 1 285 . 2 1 1 A 26 26 ASP HA H 26 4.411 4.419 -0.008 1 1 288 . 2 1 1 A 26 26 ASP C C 26 175.591 175.210 0.381 1 1 289 . 2 1 1 A 26 26 ASP CA C 26 54.656 52.593 2.063 1 1 290 . 2 1 1 A 26 26 ASP CB C 26 42.625 38.980 3.645 1 1 291 . 2 1 1 A 26 26 ASP N N 26 114.979 121.331 -6.352 1 1 292 . 2 1 1 A 27 27 PHE H H 27 7.379 7.942 -0.563 1 1 293 . 2 1 1 A 27 27 PHE HA H 27 4.659 4.493 0.166 1 1 295 . 2 1 1 A 27 27 PHE C C 27 173.407 175.031 -1.624 1 1 296 . 2 1 1 A 27 27 PHE CA C 27 56.570 57.061 -0.491 1 1 297 . 2 1 1 A 27 27 PHE CB C 27 39.891 39.696 0.195 1 1 298 . 2 1 1 A 27 27 PHE N N 27 113.561 120.911 -7.350 1 1 299 . 2 1 1 A 28 28 THR H H 28 8.540 8.710 -0.170 1 1 300 . 2 1 1 A 28 28 THR HA H 28 4.936 5.483 -0.547 1 1 305 . 2 1 1 A 28 28 THR C C 28 173.443 174.358 -0.915 1 1 306 . 2 1 1 A 28 28 THR CA C 28 62.889 61.447 1.442 1 1 307 . 2 1 1 A 28 28 THR CB C 28 72.155 71.709 0.446 1 1 309 . 2 1 1 A 28 28 THR N N 28 114.593 114.137 0.456 1 1 310 . 2 1 1 A 29 29 VAL H H 29 9.120 9.457 -0.337 1 1 311 . 2 1 1 A 29 29 VAL HA H 29 4.863 5.184 -0.321 1 1 319 . 2 1 1 A 29 29 VAL C C 29 173.558 174.556 -0.998 1 1 320 . 2 1 1 A 29 29 VAL CA C 29 59.527 59.422 0.105 1 1 321 . 2 1 1 A 29 29 VAL CB C 29 35.243 36.237 -0.994 1 1 324 . 2 1 1 A 29 29 VAL N N 29 119.233 119.158 0.075 1 1 325 . 2 1 1 A 30 30 LEU H H 30 8.565 8.879 -0.314 1 1 326 . 2 1 1 A 30 30 LEU HA H 30 5.615 5.500 0.115 1 1 336 . 2 1 1 A 30 30 LEU C C 30 180.310 176.930 3.380 1 1 337 . 2 1 1 A 30 30 LEU CA C 30 53.562 53.263 0.299 1 1 338 . 2 1 1 A 30 30 LEU CB C 30 47.547 44.912 2.635 1 1 342 . 2 1 1 A 30 30 LEU N N 30 117.429 122.073 -4.644 1 1 343 . 2 1 1 A 31 31 THR H H 31 9.587 8.678 0.909 1 1 344 . 2 1 1 A 31 31 THR HA H 31 4.741 4.583 0.158 1 1 349 . 2 1 1 A 31 31 THR C C 31 176.457 176.232 0.225 1 1 350 . 2 1 1 A 31 31 THR CA C 31 60.632 60.589 0.043 1 1 351 . 2 1 1 A 31 31 THR CB C 31 71.451 71.423 0.028 1 1 353 . 2 1 1 A 31 31 THR N N 31 114.721 114.814 -0.093 1 1 354 . 2 1 1 A 32 32 ASN H H 32 9.812 9.188 0.624 1 1 355 . 2 1 1 A 32 32 ASN HA H 32 4.352 4.448 -0.096 1 1 358 . 2 1 1 A 32 32 ASN C C 32 175.252 176.273 -1.021 1 1 359 . 2 1 1 A 32 32 ASN CA C 32 55.476 55.569 -0.093 1 1 360 . 2 1 1 A 32 32 ASN CB C 32 38.524 37.676 0.848 1 1 361 . 2 1 1 A 32 32 ASN N N 32 118.460 119.406 -0.946 1 1 362 . 2 1 1 A 33 33 SER H H 33 7.782 7.757 0.025 1 1 363 . 2 1 1 A 33 33 SER HA H 33 4.562 4.531 0.031 1 1 366 . 2 1 1 A 33 33 SER C C 33 173.822 173.447 0.375 1 1 367 . 2 1 1 A 33 33 SER CA C 33 57.390 58.134 -0.744 1 1 368 . 2 1 1 A 33 33 SER CB C 33 62.859 63.220 -0.361 1 1 369 . 2 1 1 A 33 33 SER N N 33 110.725 114.315 -3.590 1 1 370 . 2 1 1 A 34 34 LEU H H 34 8.342 8.033 0.309 1 1 371 . 2 1 1 A 34 34 LEU HA H 34 3.686 3.816 -0.130 1 1 381 . 2 1 1 A 34 34 LEU C C 34 175.516 175.708 -0.192 1 1 382 . 2 1 1 A 34 34 LEU CA C 34 57.117 56.204 0.913 1 1 383 . 2 1 1 A 34 34 LEU CB C 34 37.430 39.954 -2.524 1 1 387 . 2 1 1 A 34 34 LEU N N 34 116.913 119.579 -2.666 1 1 388 . 2 1 1 A 35 35 GLU H H 35 7.538 8.046 -0.508 1 1 389 . 2 1 1 A 35 35 GLU HA H 35 4.546 4.484 0.062 1 1 394 . 2 1 1 A 35 35 GLU C C 35 176.005 176.672 -0.667 1 1 395 . 2 1 1 A 35 35 GLU CA C 35 54.929 55.501 -0.572 1 1 396 . 2 1 1 A 35 35 GLU CB C 35 30.868 30.513 0.355 1 1 398 . 2 1 1 A 35 35 GLU N N 35 117.429 118.188 -0.759 1 1 399 . 2 1 1 A 36 36 GLU H H 36 8.681 8.774 -0.093 1 1 400 . 2 1 1 A 36 36 GLU HA H 36 4.740 4.704 0.036 1 1 405 . 2 1 1 A 36 36 GLU C C 36 176.833 175.887 0.946 1 1 406 . 2 1 1 A 36 36 GLU CA C 36 56.923 57.172 -0.249 1 1 407 . 2 1 1 A 36 36 GLU CB C 36 30.868 30.296 0.572 1 1 409 . 2 1 1 A 36 36 GLU N N 36 121.296 122.013 -0.717 1 1 410 . 2 1 1 A 37 37 LYS H H 37 9.122 8.303 0.819 1 1 411 . 2 1 1 A 37 37 LYS HA H 37 4.639 4.884 -0.245 1 1 420 . 2 1 1 A 37 37 LYS C C 37 173.671 174.021 -0.350 1 1 421 . 2 1 1 A 37 37 LYS CA C 37 55.476 55.571 -0.095 1 1 422 . 2 1 1 A 37 37 LYS CB C 37 35.243 36.670 -1.427 1 1 426 . 2 1 1 A 37 37 LYS N N 37 125.292 123.143 2.149 1 1 427 . 2 1 1 A 38 38 SER H H 38 9.337 8.537 0.800 1 1 428 . 2 1 1 A 38 38 SER HA H 38 5.310 4.939 0.371 1 1 431 . 2 1 1 A 38 38 SER C C 38 175.102 174.369 0.733 1 1 432 . 2 1 1 A 38 38 SER CA C 38 56.296 57.105 -0.809 1 1 433 . 2 1 1 A 38 38 SER CB C 38 67.233 67.191 0.042 1 1 434 . 2 1 1 A 38 38 SER N N 38 121.811 118.284 3.527 1 1 435 . 2 1 1 A 39 39 LEU H H 39 7.023 8.036 -1.013 1 1 436 . 2 1 1 A 39 39 LEU HA H 39 3.872 3.660 0.212 1 1 446 . 2 1 1 A 39 39 LEU C C 39 179.845 178.231 1.614 1 1 447 . 2 1 1 A 39 39 LEU CA C 39 58.210 57.914 0.296 1 1 448 . 2 1 1 A 39 39 LEU CB C 39 40.711 40.845 -0.134 1 1 452 . 2 1 1 A 39 39 LEU N N 39 121.811 126.735 -4.924 1 1 453 . 2 1 1 A 40 40 ALA H H 40 8.447 8.124 0.323 1 1 454 . 2 1 1 A 40 40 ALA HA H 40 3.890 4.053 -0.163 1 1 458 . 2 1 1 A 40 40 ALA C C 40 179.995 179.707 0.288 1 1 459 . 2 1 1 A 40 40 ALA CA C 40 55.203 54.407 0.796 1 1 460 . 2 1 1 A 40 40 ALA CB C 40 18.291 18.356 -0.065 1 1 461 . 2 1 1 A 40 40 ALA N N 40 119.362 119.462 -0.100 1 1 462 . 2 1 1 A 41 41 ASP H H 41 7.517 8.021 -0.504 1 1 463 . 2 1 1 A 41 41 ASP HA H 41 4.469 4.355 0.114 1 1 466 . 2 1 1 A 41 41 ASP C C 41 176.720 178.390 -1.670 1 1 467 . 2 1 1 A 41 41 ASP CA C 41 56.296 56.844 -0.548 1 1 468 . 2 1 1 A 41 41 ASP CB C 41 42.079 40.696 1.383 1 1 469 . 2 1 1 A 41 41 ASP N N 41 114.850 118.717 -3.867 1 1 470 . 2 1 1 A 42 42 MET H H 42 7.989 8.044 -0.055 1 1 471 . 2 1 1 A 42 42 MET HA H 42 4.336 4.541 -0.205 1 1 479 . 2 1 1 A 42 42 MET C C 42 175.440 176.658 -1.218 1 1 480 . 2 1 1 A 42 42 MET CA C 42 56.843 58.285 -1.442 1 1 481 . 2 1 1 A 42 42 MET CB C 42 31.962 33.649 -1.687 1 1 484 . 2 1 1 A 42 42 MET N N 42 118.847 116.066 2.781 1 1 485 . 2 1 1 A 43 43 LYS H H 43 6.901 7.684 -0.783 1 1 486 . 2 1 1 A 43 43 LYS HA H 43 4.265 4.268 -0.003 1 1 494 . 2 1 1 A 43 43 LYS C C 43 177.435 176.972 0.463 1 1 495 . 2 1 1 A 43 43 LYS CA C 43 57.664 56.602 1.062 1 1 496 . 2 1 1 A 43 43 LYS CB C 43 33.329 32.654 0.675 1 1 500 . 2 1 1 A 43 43 LYS N N 43 116.913 116.306 0.607 1 1 501 . 2 1 1 A 44 44 GLY H H 44 9.268 9.021 0.247 1 1 502 . 2 1 1 A 44 44 GLY HA2 H 44 3.692 4.028 -0.336 1 1 503 . 2 1 1 A 44 44 GLY HA3 H 44 4.596 4.030 0.566 1 1 504 . 2 1 1 A 44 44 GLY C C 44 173.671 173.518 0.153 1 1 505 . 2 1 1 A 44 44 GLY CA C 44 44.813 45.308 -0.495 1 1 506 . 2 1 1 A 44 44 GLY N N 44 111.112 112.138 -1.026 1 1 507 . 2 1 1 A 45 45 LYS H H 45 7.516 7.850 -0.334 1 1 508 . 2 1 1 A 45 45 LYS HA H 45 4.754 4.755 -0.001 1 1 515 . 2 1 1 A 45 45 LYS C C 45 175.214 174.692 0.522 1 1 516 . 2 1 1 A 45 45 LYS CA C 45 54.820 55.053 -0.233 1 1 517 . 2 1 1 A 45 45 LYS CB C 45 36.883 36.292 0.591 1 1 521 . 2 1 1 A 45 45 LYS N N 45 117.944 121.150 -3.206 1 1 522 . 2 1 1 A 46 46 VAL H H 46 8.887 8.578 0.309 1 1 523 . 2 1 1 A 46 46 VAL HA H 46 3.950 4.289 -0.339 1 1 531 . 2 1 1 A 46 46 VAL C C 46 174.876 175.466 -0.590 1 1 532 . 2 1 1 A 46 46 VAL CA C 46 64.773 63.285 1.488 1 1 533 . 2 1 1 A 46 46 VAL CB C 46 31.962 32.290 -0.328 1 1 536 . 2 1 1 A 46 46 VAL N N 46 124.776 124.299 0.477 1 1 537 . 2 1 1 A 47 47 THR H H 47 8.956 8.783 0.173 1 1 538 . 2 1 1 A 47 47 THR HA H 47 5.300 5.308 -0.008 1 1 543 . 2 1 1 A 47 47 THR C C 47 172.579 173.585 -1.006 1 1 544 . 2 1 1 A 47 47 THR CA C 47 62.312 61.354 0.958 1 1 545 . 2 1 1 A 47 47 THR CB C 47 73.249 72.210 1.039 1 1 547 . 2 1 1 A 47 47 THR N N 47 124.132 120.782 3.350 1 1 548 . 2 1 1 A 48 48 ILE H H 48 9.160 8.857 0.303 1 1 549 . 2 1 1 A 48 48 ILE HA H 48 4.740 4.978 -0.238 1 1 559 . 2 1 1 A 48 48 ILE C C 48 173.972 175.232 -1.260 1 1 560 . 2 1 1 A 48 48 ILE CA C 48 61.441 60.023 1.418 1 1 561 . 2 1 1 A 48 48 ILE CB C 48 40.438 42.033 -1.595 1 1 565 . 2 1 1 A 48 48 ILE N N 48 128.515 124.869 3.646 1 1 566 . 2 1 1 A 49 49 ILE H H 49 9.507 9.166 0.341 1 1 567 . 2 1 1 A 49 49 ILE HA H 49 4.883 5.208 -0.325 1 1 577 . 2 1 1 A 49 49 ILE C C 49 174.650 174.878 -0.228 1 1 578 . 2 1 1 A 49 49 ILE CA C 49 60.773 60.001 0.772 1 1 579 . 2 1 1 A 49 49 ILE CB C 49 41.532 42.150 -0.618 1 1 583 . 2 1 1 A 49 49 ILE N N 49 126.194 127.038 -0.844 1 1 584 . 2 1 1 A 50 50 SER H H 50 9.079 8.909 0.170 1 1 585 . 2 1 1 A 50 50 SER HA H 50 5.138 5.559 -0.421 1 1 588 . 2 1 1 A 50 50 SER C C 50 172.692 173.116 -0.424 1 1 589 . 2 1 1 A 50 50 SER CA C 50 56.843 57.328 -0.485 1 1 590 . 2 1 1 A 50 50 SER CB C 50 64.773 66.471 -1.698 1 1 591 . 2 1 1 A 50 50 SER N N 50 121.940 124.655 -2.715 1 1 592 . 2 1 1 A 51 51 VAL H H 51 9.010 8.979 0.031 1 1 593 . 2 1 1 A 51 51 VAL HA H 51 4.873 5.011 -0.138 1 1 601 . 2 1 1 A 51 51 VAL CA C 51 61.595 60.933 0.662 1 1 602 . 2 1 1 A 51 51 VAL CB C 51 32.509 35.520 -3.011 1 1 605 . 2 1 1 A 51 51 VAL N N 51 128.128 123.137 4.991 1 1 606 . 2 1 1 A 52 52 ILE H H 52 8.182 8.808 -0.626 1 1 607 . 2 1 1 A 52 52 ILE HA H 52 4.862 4.841 0.021 1 1 616 . 2 1 1 A 52 52 ILE CA C 52 58.026 57.299 0.727 1 1 617 . 2 1 1 A 52 52 ILE CB C 52 43.172 40.384 2.788 1 1 621 . 2 1 1 A 52 52 ILE N N 52 124.776 123.160 1.616 1 1 622 . 2 1 1 A 53 53 PRO HA H 53 4.904 4.557 0.347 1 1 629 . 2 1 1 A 53 53 PRO CA C 53 65.560 64.963 0.597 1 1 630 . 2 1 1 A 53 53 PRO CB C 53 31.826 32.337 -0.511 1 1 633 . 2 1 1 A 54 54 SER H H 54 7.214 7.349 -0.135 1 1 634 . 2 1 1 A 54 54 SER HA H 54 5.100 4.806 0.294 1 1 637 . 2 1 1 A 54 54 SER CA C 54 57.417 57.017 0.400 1 1 638 . 2 1 1 A 54 54 SER CB C 54 65.195 65.411 -0.216 1 1 639 . 2 1 1 A 54 54 SER N N 54 107.901 111.976 -4.075 1 1 640 . 2 1 1 A 55 55 ILE H H 55 7.330 8.637 -1.307 1 1 641 . 2 1 1 A 55 55 ILE HA H 55 5.075 4.019 1.056 1 1 651 . 2 1 1 A 55 55 ILE CA C 55 61.734 64.176 -2.442 1 1 652 . 2 1 1 A 55 55 ILE CB C 55 36.233 37.950 -1.717 1 1 656 . 2 1 1 A 56 56 ASP H H 56 8.699 8.055 0.644 1 1 657 . 2 1 1 A 56 56 ASP HA H 56 5.075 4.460 0.615 1 1 660 . 2 1 1 A 56 56 ASP CA C 56 54.407 56.511 -2.104 1 1 661 . 2 1 1 A 56 56 ASP CB C 56 42.832 40.749 2.083 1 1 662 . 2 1 1 A 56 56 ASP N N 56 121.940 121.007 0.933 1 1 663 . 2 1 1 A 57 57 THR H H 57 7.294 7.765 -0.471 1 1 664 . 2 1 1 A 57 57 THR HA H 57 4.323 4.314 0.009 1 1 669 . 2 1 1 A 57 57 THR C C 57 175.440 175.198 0.242 1 1 670 . 2 1 1 A 57 57 THR CA C 57 61.765 61.729 0.036 1 1 671 . 2 1 1 A 57 57 THR CB C 57 69.421 68.721 0.700 1 1 673 . 2 1 1 A 57 57 THR N N 57 108.921 107.260 1.661 1 1 674 . 2 1 1 A 58 58 GLY H H 58 8.215 7.795 0.420 1 1 675 . 2 1 1 A 58 58 GLY HA2 H 58 4.012 3.918 0.094 1 1 676 . 2 1 1 A 58 58 GLY HA3 H 58 4.012 3.921 0.091 1 1 677 . 2 1 1 A 58 58 GLY C C 58 173.520 175.270 -1.750 1 1 678 . 2 1 1 A 58 58 GLY CA C 58 45.360 45.700 -0.340 1 1 679 . 2 1 1 A 58 58 GLY N N 58 110.969 109.426 1.543 1 1 680 . 2 1 1 A 59 59 VAL H H 59 7.976 8.091 -0.115 1 1 681 . 2 1 1 A 59 59 VAL HA H 59 4.307 3.913 0.394 1 1 689 . 2 1 1 A 59 59 VAL C C 59 175.854 177.342 -1.488 1 1 690 . 2 1 1 A 59 59 VAL CA C 59 61.765 64.791 -3.026 1 1 691 . 2 1 1 A 59 59 VAL CB C 59 33.329 31.082 2.247 1 1 694 . 2 1 1 A 59 59 VAL N N 59 118.501 118.936 -0.435 1 1 696 . 2 1 1 A 61 61 ASP HA H 61 4.323 4.358 -0.035 1 1 697 . 2 1 1 A 61 61 ASP CA C 61 54.382 54.755 -0.373 1 1 698 . 2 1 1 A 61 61 ASP CB C 61 39.142 42.804 -3.662 1 1 699 . 2 1 1 A 62 62 ALA H H 62 8.663 9.036 -0.373 1 1 700 . 2 1 1 A 62 62 ALA HA H 62 3.971 3.869 0.102 1 1 704 . 2 1 1 A 62 62 ALA C C 62 180.485 179.453 1.032 1 1 705 . 2 1 1 A 62 62 ALA CA C 62 55.203 55.305 -0.102 1 1 706 . 2 1 1 A 62 62 ALA CB C 62 18.838 18.325 0.513 1 1 707 . 2 1 1 A 63 63 GLN H H 63 8.550 8.306 0.244 1 1 708 . 2 1 1 A 63 63 GLN HA H 63 3.865 3.748 0.117 1 1 715 . 2 1 1 A 63 63 GLN C C 63 178.527 178.635 -0.108 1 1 716 . 2 1 1 A 63 63 GLN CA C 63 59.346 59.024 0.322 1 1 717 . 2 1 1 A 63 63 GLN CB C 63 28.635 28.445 0.190 1 1 719 . 2 1 1 A 63 63 GLN N N 63 117.429 118.540 -1.111 1 1 721 . 2 1 1 A 64 64 THR H H 64 8.121 7.877 0.244 1 1 722 . 2 1 1 A 64 64 THR HA H 64 3.624 3.939 -0.315 1 1 727 . 2 1 1 A 64 64 THR C C 64 178.527 176.587 1.940 1 1 728 . 2 1 1 A 64 64 THR CA C 64 66.686 67.572 -0.886 1 1 729 . 2 1 1 A 64 64 THR CB C 64 68.600 68.283 0.317 1 1 731 . 2 1 1 A 64 64 THR N N 64 118.460 115.744 2.716 1 1 732 . 2 1 1 A 65 65 ARG H H 65 7.530 8.050 -0.520 1 1 733 . 2 1 1 A 65 65 ARG HA H 65 3.904 4.004 -0.100 1 1 739 . 2 1 1 A 65 65 ARG CA C 65 59.507 59.818 -0.311 1 1 740 . 2 1 1 A 65 65 ARG CB C 65 29.637 30.074 -0.437 1 1 743 . 2 1 1 A 66 66 ARG H H 66 7.972 8.051 -0.079 1 1 744 . 2 1 1 A 66 66 ARG HA H 66 4.056 3.945 0.111 1 1 751 . 2 1 1 A 66 66 ARG C C 66 177.624 178.252 -0.628 1 1 752 . 2 1 1 A 66 66 ARG CA C 66 59.031 58.783 0.248 1 1 753 . 2 1 1 A 66 66 ARG CB C 66 29.228 29.678 -0.450 1 1 756 . 2 1 1 A 66 66 ARG N N 66 118.460 119.753 -1.293 1 1 757 . 2 1 1 A 67 67 PHE H H 67 7.673 8.252 -0.579 1 1 758 . 2 1 1 A 67 67 PHE HA H 67 4.260 4.166 0.094 1 1 763 . 2 1 1 A 67 67 PHE C C 67 176.043 177.672 -1.629 1 1 764 . 2 1 1 A 67 67 PHE CA C 67 60.945 61.217 -0.272 1 1 765 . 2 1 1 A 67 67 PHE CB C 67 39.071 38.975 0.096 1 1 766 . 2 1 1 A 67 67 PHE N N 67 119.362 120.437 -1.075 1 1 767 . 2 1 1 A 68 68 ASN H H 68 7.688 8.361 -0.673 1 1 768 . 2 1 1 A 68 68 ASN HA H 68 4.150 3.865 0.285 1 1 771 . 2 1 1 A 68 68 ASN C C 68 177.172 177.318 -0.146 1 1 772 . 2 1 1 A 68 68 ASN CA C 68 55.750 56.711 -0.961 1 1 773 . 2 1 1 A 68 68 ASN CB C 68 37.977 38.772 -0.795 1 1 774 . 2 1 1 A 68 68 ASN N N 68 117.042 117.364 -0.322 1 1 775 . 2 1 1 A 69 69 GLU H H 69 8.185 8.424 -0.239 1 1 776 . 2 1 1 A 69 69 GLU HA H 69 3.848 3.985 -0.137 1 1 781 . 2 1 1 A 69 69 GLU C C 69 179.468 178.954 0.514 1 1 782 . 2 1 1 A 69 69 GLU CA C 69 59.577 59.553 0.024 1 1 783 . 2 1 1 A 69 69 GLU CB C 69 30.321 29.052 1.269 1 1 785 . 2 1 1 A 69 69 GLU N N 69 118.975 119.028 -0.053 1 1 786 . 2 1 1 A 70 70 GLU H H 70 8.671 8.358 0.313 1 1 787 . 2 1 1 A 70 70 GLU HA H 70 3.807 3.980 -0.173 1 1 792 . 2 1 1 A 70 70 GLU C C 70 179.468 178.884 0.584 1 1 793 . 2 1 1 A 70 70 GLU CA C 70 58.757 59.073 -0.316 1 1 794 . 2 1 1 A 70 70 GLU CB C 70 29.501 29.922 -0.421 1 1 796 . 2 1 1 A 70 70 GLU N N 70 118.975 118.405 0.570 1 1 797 . 2 1 1 A 71 71 ALA H H 71 8.418 8.274 0.144 1 1 798 . 2 1 1 A 71 71 ALA HA H 71 3.616 3.988 -0.372 1 1 802 . 2 1 1 A 71 71 ALA C C 71 178.226 180.027 -1.801 1 1 803 . 2 1 1 A 71 71 ALA CA C 71 54.656 54.943 -0.287 1 1 804 . 2 1 1 A 71 71 ALA CB C 71 18.017 17.886 0.131 1 1 805 . 2 1 1 A 71 71 ALA N N 71 122.069 123.127 -1.058 1 1 806 . 2 1 1 A 72 72 ALA H H 72 7.520 7.902 -0.382 1 1 807 . 2 1 1 A 72 72 ALA HA H 72 3.842 3.987 -0.145 1 1 811 . 2 1 1 A 72 72 ALA C C 72 179.280 177.909 1.371 1 1 812 . 2 1 1 A 72 72 ALA CA C 72 54.109 54.044 0.065 1 1 813 . 2 1 1 A 72 72 ALA CB C 72 18.564 18.244 0.320 1 1 814 . 2 1 1 A 72 72 ALA N N 72 116.139 119.724 -3.585 1 1 815 . 2 1 1 A 73 73 LYS H H 73 7.302 7.631 -0.329 1 1 816 . 2 1 1 A 73 73 LYS HA H 73 4.129 4.332 -0.203 1 1 825 . 2 1 1 A 73 73 LYS C C 73 177.661 178.194 -0.533 1 1 826 . 2 1 1 A 73 73 LYS CA C 73 57.116 56.481 0.635 1 1 827 . 2 1 1 A 73 73 LYS CB C 73 32.782 33.080 -0.298 1 1 831 . 2 1 1 A 73 73 LYS N N 73 114.850 115.815 -0.965 1 1 832 . 2 1 1 A 74 74 LEU H H 74 7.398 7.511 -0.113 1 1 833 . 2 1 1 A 74 74 LEU HA H 74 3.983 4.058 -0.075 1 1 843 . 2 1 1 A 74 74 LEU C C 74 177.021 176.838 0.183 1 1 844 . 2 1 1 A 74 74 LEU CA C 74 56.843 57.187 -0.344 1 1 845 . 2 1 1 A 74 74 LEU CB C 74 42.625 42.660 -0.035 1 1 849 . 2 1 1 A 74 74 LEU N N 74 118.460 119.252 -0.792 1 1 850 . 2 1 1 A 75 75 GLY H H 75 7.174 7.277 -0.103 1 1 851 . 2 1 1 A 75 75 GLY HA2 H 75 4.215 4.051 0.164 1 1 852 . 2 1 1 A 75 75 GLY HA3 H 75 3.630 4.053 -0.423 1 1 853 . 2 1 1 A 75 75 GLY C C 75 172.805 173.816 -1.011 1 1 854 . 2 1 1 A 75 75 GLY CA C 75 45.360 45.574 -0.214 1 1 855 . 2 1 1 A 75 75 GLY N N 75 102.991 104.221 -1.230 1 1 856 . 2 1 1 A 76 76 ASP H H 76 8.825 8.670 0.155 1 1 857 . 2 1 1 A 76 76 ASP HA H 76 4.766 4.709 0.057 1 1 860 . 2 1 1 A 76 76 ASP C C 76 173.749 175.543 -1.794 1 1 861 . 2 1 1 A 76 76 ASP CA C 76 53.708 54.068 -0.360 1 1 862 . 2 1 1 A 76 76 ASP CB C 76 39.071 40.547 -1.476 1 1 863 . 2 1 1 A 76 76 ASP N N 76 126.839 120.740 6.099 1 1 864 . 2 1 1 A 77 77 VAL H H 77 7.511 7.461 0.050 1 1 865 . 2 1 1 A 77 77 VAL HA H 77 4.772 4.053 0.719 1 1 873 . 2 1 1 A 77 77 VAL C C 77 175.629 175.718 -0.089 1 1 874 . 2 1 1 A 77 77 VAL CA C 77 58.959 61.864 -2.905 1 1 875 . 2 1 1 A 77 77 VAL CB C 77 34.970 32.643 2.327 1 1 878 . 2 1 1 A 77 77 VAL N N 77 115.615 117.963 -2.348 1 1 879 . 2 1 1 A 78 78 ASN H H 78 8.822 8.679 0.143 1 1 880 . 2 1 1 A 78 78 ASN HA H 78 4.820 4.686 0.134 1 1 885 . 2 1 1 A 78 78 ASN C C 78 174.047 175.206 -1.159 1 1 886 . 2 1 1 A 78 78 ASN CA C 78 52.085 53.795 -1.710 1 1 887 . 2 1 1 A 78 78 ASN CB C 78 40.438 38.607 1.831 1 1 888 . 2 1 1 A 78 78 ASN N N 78 120.393 121.834 -1.441 1 1 890 . 2 1 1 A 79 79 VAL H H 79 8.044 8.453 -0.409 1 1 891 . 2 1 1 A 79 79 VAL HA H 79 4.669 4.867 -0.198 1 1 899 . 2 1 1 A 79 79 VAL C C 79 174.123 173.483 0.640 1 1 900 . 2 1 1 A 79 79 VAL CA C 79 61.491 59.724 1.767 1 1 901 . 2 1 1 A 79 79 VAL CB C 79 33.329 34.888 -1.559 1 1 904 . 2 1 1 A 79 79 VAL N N 79 122.456 117.552 4.904 1 1 905 . 2 1 1 A 80 80 TYR H H 80 8.944 8.771 0.173 1 1 906 . 2 1 1 A 80 80 TYR HA H 80 6.170 5.098 1.072 1 1 911 . 2 1 1 A 80 80 TYR C C 80 177.210 174.715 2.495 1 1 912 . 2 1 1 A 80 80 TYR CA C 80 54.929 56.233 -1.304 1 1 913 . 2 1 1 A 80 80 TYR CB C 80 42.899 42.853 0.046 1 1 914 . 2 1 1 A 80 80 TYR N N 80 123.229 123.164 0.065 1 1 915 . 2 1 1 A 81 81 THR H H 81 8.465 8.816 -0.351 1 1 916 . 2 1 1 A 81 81 THR HA H 81 5.652 5.576 0.076 1 1 921 . 2 1 1 A 81 81 THR C C 81 172.880 173.645 -0.765 1 1 922 . 2 1 1 A 81 81 THR CA C 81 62.038 60.974 1.064 1 1 923 . 2 1 1 A 81 81 THR CB C 81 71.608 72.449 -0.841 1 1 925 . 2 1 1 A 81 81 THR N N 81 119.491 115.507 3.984 1 1 926 . 2 1 1 A 82 82 ILE H H 82 8.958 8.417 0.541 1 1 927 . 2 1 1 A 82 82 ILE HA H 82 5.145 4.892 0.253 1 1 937 . 2 1 1 A 82 82 ILE C C 82 174.123 174.999 -0.876 1 1 938 . 2 1 1 A 82 82 ILE CA C 82 59.847 59.786 0.061 1 1 939 . 2 1 1 A 82 82 ILE CB C 82 39.618 41.761 -2.143 1 1 943 . 2 1 1 A 82 82 ILE N N 82 125.550 124.517 1.033 1 1 944 . 2 1 1 A 83 83 SER H H 83 7.731 9.081 -1.350 1 1 945 . 2 1 1 A 83 83 SER HA H 83 4.909 5.313 -0.404 1 1 948 . 2 1 1 A 83 83 SER C C 83 173.182 173.451 -0.269 1 1 949 . 2 1 1 A 83 83 SER CA C 83 57.034 57.653 -0.619 1 1 950 . 2 1 1 A 83 83 SER CB C 83 68.054 67.157 0.897 1 1 951 . 2 1 1 A 83 83 SER N N 83 117.171 123.387 -6.216 1 1 952 . 2 1 1 A 84 84 ALA H H 84 9.548 8.365 1.183 1 1 953 . 2 1 1 A 84 84 ALA HA H 84 4.177 4.578 -0.401 1 1 957 . 2 1 1 A 84 84 ALA C C 84 175.290 177.980 -2.690 1 1 958 . 2 1 1 A 84 84 ALA CA C 84 51.922 52.079 -0.157 1 1 959 . 2 1 1 A 84 84 ALA CB C 84 19.111 20.093 -0.982 1 1 960 . 2 1 1 A 84 84 ALA N N 84 120.651 125.454 -4.803 1 1 961 . 2 1 1 A 85 85 ASP H H 85 7.739 8.593 -0.854 1 1 962 . 2 1 1 A 85 85 ASP HA H 85 4.380 4.496 -0.116 1 1 965 . 2 1 1 A 85 85 ASP C C 85 175.591 176.204 -0.613 1 1 966 . 2 1 1 A 85 85 ASP CA C 85 55.136 55.532 -0.396 1 1 967 . 2 1 1 A 85 85 ASP CB C 85 43.011 41.177 1.834 1 1 968 . 2 1 1 A 85 85 ASP N N 85 114.721 119.577 -4.856 1 1 969 . 2 1 1 A 86 86 LEU H H 86 8.475 7.196 1.279 1 1 970 . 2 1 1 A 86 86 LEU HA H 86 3.956 4.291 -0.335 1 1 980 . 2 1 1 A 86 86 LEU CA C 86 54.656 53.232 1.424 1 1 981 . 2 1 1 A 86 86 LEU CB C 86 39.380 43.397 -4.017 1 1 985 . 2 1 1 A 87 87 PRO HA H 87 4.225 4.165 0.060 1 1 992 . 2 1 1 A 87 87 PRO CA C 87 65.046 64.917 0.129 1 1 993 . 2 1 1 A 87 87 PRO CB C 87 32.264 31.522 0.742 1 1 996 . 2 1 1 A 88 88 PHE H H 88 5.565 7.510 -1.945 1 1 997 . 2 1 1 A 88 88 PHE HA H 88 4.340 4.330 0.010 1 1 1000 . 2 1 1 A 88 88 PHE CA C 88 57.664 60.824 -3.160 1 1 1001 . 2 1 1 A 88 88 PHE CB C 88 39.344 37.935 1.409 1 1 1002 . 2 1 1 A 88 88 PHE N N 88 110.725 116.520 -5.795 1 1 1003 . 2 1 1 A 89 89 ALA H H 89 7.381 7.764 -0.383 1 1 1004 . 2 1 1 A 89 89 ALA HA H 89 4.239 4.539 -0.300 1 1 1008 . 2 1 1 A 89 89 ALA CA C 89 52.009 53.225 -1.216 1 1 1009 . 2 1 1 A 89 89 ALA CB C 89 19.761 19.299 0.462 1 1 1010 . 2 1 1 A 89 89 ALA N N 89 114.850 120.308 -5.458 1 1 1011 . 2 1 1 A 90 90 GLN H H 90 7.231 7.721 -0.490 1 1 1012 . 2 1 1 A 90 90 GLN HA H 90 3.695 4.777 -1.082 1 1 1018 . 2 1 1 A 90 90 GLN CA C 90 59.578 54.362 5.216 1 1 1019 . 2 1 1 A 90 90 GLN CB C 90 28.728 33.129 -4.401 1 1 1022 . 2 1 1 A 91 91 ALA H H 91 7.741 8.583 -0.842 1 1 1023 . 2 1 1 A 91 91 ALA HA H 91 4.202 4.386 -0.184 1 1 1027 . 2 1 1 A 91 91 ALA CA C 91 54.382 50.733 3.649 1 1 1028 . 2 1 1 A 91 91 ALA CB C 91 18.837 22.744 -3.907 1 1 1029 . 2 1 1 A 91 91 ALA N N 91 118.589 122.441 -3.852 1 1 1030 . 2 1 1 A 92 92 ARG H H 92 7.354 7.919 -0.565 1 1 1031 . 2 1 1 A 92 92 ARG HA H 92 4.588 4.337 0.251 1 1 1038 . 2 1 1 A 92 92 ARG CA C 92 55.476 56.162 -0.686 1 1 1039 . 2 1 1 A 92 92 ARG CB C 92 30.048 30.488 -0.440 1 1 1042 . 2 1 1 A 93 93 TRP H H 93 7.767 7.461 0.306 1 1 1043 . 2 1 1 A 93 93 TRP HA H 93 4.881 4.922 -0.041 1 1 1050 . 2 1 1 A 93 93 TRP CA C 93 57.534 55.810 1.724 1 1 1051 . 2 1 1 A 93 93 TRP CB C 93 29.501 32.416 -2.915 1 1 1052 . 2 1 1 A 93 93 TRP N N 93 121.927 119.063 2.864 1 1 1054 . 2 1 1 A 94 94 CYS HA H 94 3.901 4.214 -0.313 1 1 1057 . 2 1 1 A 94 94 CYS CA C 94 59.577 59.100 0.477 1 1 1058 . 2 1 1 A 94 94 CYS CB C 94 43.446 40.322 3.124 1 1 1059 . 2 1 1 A 95 95 GLY HA2 H 95 5.122 3.927 1.195 1 1 1060 . 2 1 1 A 95 95 GLY HA3 H 95 3.691 3.936 -0.245 1 1 1061 . 2 1 1 A 95 95 GLY CA C 95 45.511 47.214 -1.703 1 1 1062 . 2 1 1 A 96 96 ALA H H 96 7.504 7.590 -0.086 1 1 1063 . 2 1 1 A 96 96 ALA HA H 96 4.412 4.647 -0.235 1 1 1067 . 2 1 1 A 96 96 ALA CA C 96 51.699 51.408 0.291 1 1 1068 . 2 1 1 A 96 96 ALA CB C 96 21.025 22.802 -1.777 1 1 1069 . 2 1 1 A 96 96 ALA N N 96 121.579 119.042 2.537 1 1 1070 . 2 1 1 A 97 97 ASN H H 97 7.345 8.757 -1.412 1 1 1071 . 2 1 1 A 97 97 ASN HA H 97 4.551 5.165 -0.614 1 1 1076 . 2 1 1 A 97 97 ASN CA C 97 54.929 52.208 2.721 1 1 1077 . 2 1 1 A 97 97 ASN CB C 97 39.071 39.400 -0.329 1 1 1079 . 2 1 1 A 98 98 GLY H H 98 8.890 7.881 1.009 1 1 1080 . 2 1 1 A 98 98 GLY HA2 H 98 3.796 4.040 -0.244 1 1 1081 . 2 1 1 A 98 98 GLY HA3 H 98 4.070 4.046 0.024 1 1 1082 . 2 1 1 A 98 98 GLY C C 98 174.160 174.568 -0.408 1 1 1083 . 2 1 1 A 98 98 GLY CA C 98 45.841 44.954 0.887 1 1 1084 . 2 1 1 A 99 99 ILE H H 99 7.739 7.804 -0.065 1 1 1085 . 2 1 1 A 99 99 ILE HA H 99 4.198 4.256 -0.058 1 1 1095 . 2 1 1 A 99 99 ILE C C 99 175.561 175.646 -0.085 1 1 1096 . 2 1 1 A 99 99 ILE CA C 99 60.671 60.526 0.145 1 1 1097 . 2 1 1 A 99 99 ILE CB C 99 38.524 36.075 2.449 1 1 1101 . 2 1 1 A 99 99 ILE N N 99 120.780 122.642 -1.862 1 1 1102 . 2 1 1 A 100 100 ASP H H 100 8.372 8.135 0.237 1 1 1103 . 2 1 1 A 100 100 ASP HA H 100 4.426 4.165 0.261 1 1 1106 . 2 1 1 A 100 100 ASP C C 100 176.325 177.939 -1.614 1 1 1107 . 2 1 1 A 100 100 ASP CA C 100 56.023 57.639 -1.616 1 1 1108 . 2 1 1 A 100 100 ASP CB C 100 40.985 40.629 0.356 1 1 1109 . 2 1 1 A 100 100 ASP N N 100 126.194 128.352 -2.158 1 1 1110 . 2 1 1 A 101 101 LYS H H 101 8.081 7.808 0.273 1 1 1111 . 2 1 1 A 101 101 LYS HA H 101 4.052 4.225 -0.173 1 1 1120 . 2 1 1 A 101 101 LYS C C 101 175.874 177.370 -1.496 1 1 1121 . 2 1 1 A 101 101 LYS CA C 101 58.210 57.638 0.572 1 1 1122 . 2 1 1 A 101 101 LYS CB C 101 31.689 32.349 -0.660 1 1 1126 . 2 1 1 A 101 101 LYS N N 101 115.366 116.794 -1.428 1 1 1127 . 2 1 1 A 102 102 VAL H H 102 7.631 7.644 -0.013 1 1 1128 . 2 1 1 A 102 102 VAL HA H 102 4.419 4.107 0.312 1 1 1136 . 2 1 1 A 102 102 VAL C C 102 175.145 175.615 -0.470 1 1 1137 . 2 1 1 A 102 102 VAL CA C 102 61.919 62.931 -1.012 1 1 1138 . 2 1 1 A 102 102 VAL CB C 102 32.782 32.432 0.350 1 1 1141 . 2 1 1 A 102 102 VAL N N 102 119.362 120.843 -1.481 1 1 1142 . 2 1 1 A 103 103 GLU H H 103 8.489 8.848 -0.359 1 1 1143 . 2 1 1 A 103 103 GLU HA H 103 4.931 5.000 -0.069 1 1 1148 . 2 1 1 A 103 103 GLU C C 103 175.943 174.899 1.044 1 1 1149 . 2 1 1 A 103 103 GLU CA C 103 55.140 54.977 0.163 1 1 1150 . 2 1 1 A 103 103 GLU CB C 103 33.329 33.819 -0.490 1 1 1152 . 2 1 1 A 103 103 GLU N N 103 126.581 125.437 1.144 1 1 1153 . 2 1 1 A 104 104 THR H H 104 8.690 8.741 -0.051 1 1 1154 . 2 1 1 A 104 104 THR HA H 104 5.292 4.795 0.497 1 1 1159 . 2 1 1 A 104 104 THR C C 104 173.165 174.107 -0.942 1 1 1160 . 2 1 1 A 104 104 THR CA C 104 58.757 61.852 -3.095 1 1 1161 . 2 1 1 A 104 104 THR CB C 104 69.967 70.087 -0.120 1 1 1163 . 2 1 1 A 104 104 THR N N 104 114.979 119.876 -4.897 1 1 1164 . 2 1 1 A 105 105 LEU H H 105 8.635 9.273 -0.638 1 1 1165 . 2 1 1 A 105 105 LEU HA H 105 4.979 4.454 0.525 1 1 1175 . 2 1 1 A 105 105 LEU C C 105 176.985 176.589 0.396 1 1 1176 . 2 1 1 A 105 105 LEU CA C 105 52.849 54.867 -2.018 1 1 1177 . 2 1 1 A 105 105 LEU CB C 105 45.633 42.274 3.359 1 1 1181 . 2 1 1 A 105 105 LEU N N 105 119.233 128.966 -9.733 1 1 1182 . 2 1 1 A 106 106 SER H H 106 9.670 9.185 0.485 1 1 1183 . 2 1 1 A 106 106 SER HA H 106 5.485 4.960 0.525 1 1 1186 . 2 1 1 A 106 106 SER C C 106 176.256 174.644 1.612 1 1 1187 . 2 1 1 A 106 106 SER CA C 106 56.570 57.208 -0.638 1 1 1188 . 2 1 1 A 106 106 SER CB C 106 65.593 64.158 1.435 1 1 1189 . 2 1 1 A 106 106 SER N N 106 114.979 117.335 -2.356 1 1 1190 . 2 1 1 A 107 107 ASP H H 107 8.764 7.891 0.873 1 1 1191 . 2 1 1 A 107 107 ASP HA H 107 5.517 4.140 1.377 1 1 1194 . 2 1 1 A 107 107 ASP CA C 107 52.753 57.360 -4.607 1 1 1195 . 2 1 1 A 107 107 ASP CB C 107 45.086 41.275 3.811 1 1 1196 . 2 1 1 A 107 107 ASP N N 107 132.898 122.836 10.062 1 1 1197 . 2 1 1 A 108 108 HIS H H 108 7.940 8.466 -0.526 1 1 1198 . 2 1 1 A 108 108 HIS HA H 108 4.075 4.079 -0.004 1 1 1200 . 2 1 1 A 108 108 HIS CA C 108 59.577 59.674 -0.097 1 1 1201 . 2 1 1 A 108 108 HIS CB C 108 29.861 30.041 -0.180 1 1 1202 . 2 1 1 A 108 108 HIS N N 108 116.397 118.718 -2.321 1 1 1203 . 2 1 1 A 109 109 ARG HA H 109 4.214 4.079 0.135 1 1 1206 . 2 1 1 A 109 109 ARG CA C 109 59.031 59.239 -0.208 1 1 1207 . 2 1 1 A 109 109 ARG CB C 109 27.861 30.269 -2.408 1 1 1208 . 2 1 1 A 110 110 ASP HA H 110 4.867 4.891 -0.024 1 1 1211 . 2 1 1 A 110 110 ASP C C 110 175.735 176.015 -0.280 1 1 1212 . 2 1 1 A 110 110 ASP CA C 110 53.708 54.581 -0.873 1 1 1213 . 2 1 1 A 110 110 ASP CB C 110 43.875 43.064 0.811 1 1 1214 . 2 1 1 A 111 111 MET H H 111 7.899 8.620 -0.721 1 1 1215 . 2 1 1 A 111 111 MET HA H 111 4.503 4.147 0.356 1 1 1221 . 2 1 1 A 111 111 MET C C 111 177.332 176.140 1.192 1 1 1222 . 2 1 1 A 111 111 MET CA C 111 56.570 56.515 0.055 1 1 1223 . 2 1 1 A 111 111 MET CB C 111 30.868 32.224 -1.356 1 1 1226 . 2 1 1 A 111 111 MET N N 111 116.397 118.445 -2.048 1 1 1227 . 2 1 1 A 112 112 SER H H 112 7.931 8.060 -0.129 1 1 1228 . 2 1 1 A 112 112 SER HA H 112 4.248 4.133 0.115 1 1 1231 . 2 1 1 A 112 112 SER C C 112 179.173 175.992 3.181 1 1 1232 . 2 1 1 A 112 112 SER CA C 112 60.945 62.454 -1.509 1 1 1233 . 2 1 1 A 112 112 SER CB C 112 64.499 63.226 1.273 1 1 1234 . 2 1 1 A 112 112 SER N N 112 113.561 115.642 -2.081 1 1 1235 . 2 1 1 A 113 113 PHE H H 113 10.125 8.255 1.870 1 1 1236 . 2 1 1 A 113 113 PHE HA H 113 3.593 3.879 -0.286 1 1 1241 . 2 1 1 A 113 113 PHE C C 113 177.437 177.742 -0.305 1 1 1242 . 2 1 1 A 113 113 PHE CA C 113 62.312 61.235 1.077 1 1 1243 . 2 1 1 A 113 113 PHE CB C 113 37.704 38.507 -0.803 1 1 1244 . 2 1 1 A 113 113 PHE N N 113 125.550 122.852 2.698 1 1 1245 . 2 1 1 A 114 114 GLY H H 114 10.707 8.799 1.908 1 1 1246 . 2 1 1 A 114 114 GLY HA2 H 114 3.396 3.683 -0.287 1 1 1247 . 2 1 1 A 114 114 GLY HA3 H 114 3.218 3.808 -0.590 1 1 1248 . 2 1 1 A 114 114 GLY C C 114 175.735 175.901 -0.166 1 1 1249 . 2 1 1 A 114 114 GLY CA C 114 48.641 47.386 1.255 1 1 1250 . 2 1 1 A 114 114 GLY N N 114 109.178 106.380 2.798 1 1 1251 . 2 1 1 A 115 115 GLU H H 115 8.251 8.317 -0.066 1 1 1252 . 2 1 1 A 115 115 GLU HA H 115 4.431 4.161 0.270 1 1 1257 . 2 1 1 A 115 115 GLU C C 115 178.756 178.383 0.373 1 1 1258 . 2 1 1 A 115 115 GLU CA C 115 59.031 58.958 0.073 1 1 1259 . 2 1 1 A 115 115 GLU CB C 115 29.775 29.570 0.205 1 1 1261 . 2 1 1 A 115 115 GLU N N 115 120.522 121.604 -1.082 1 1 1262 . 2 1 1 A 116 116 ALA H H 116 7.895 8.430 -0.535 1 1 1263 . 2 1 1 A 116 116 ALA HA H 116 4.111 4.116 -0.005 1 1 1267 . 2 1 1 A 116 116 ALA C C 116 177.610 178.975 -1.365 1 1 1268 . 2 1 1 A 116 116 ALA CA C 116 55.476 54.898 0.578 1 1 1269 . 2 1 1 A 116 116 ALA CB C 116 18.838 18.555 0.283 1 1 1270 . 2 1 1 A 116 116 ALA N N 116 123.100 122.114 0.986 1 1 1271 . 2 1 1 A 117 117 PHE H H 117 8.161 7.801 0.360 1 1 1272 . 2 1 1 A 117 117 PHE HA H 117 4.262 4.365 -0.103 1 1 1277 . 2 1 1 A 117 117 PHE C C 117 175.353 175.540 -0.187 1 1 1278 . 2 1 1 A 117 117 PHE CA C 117 56.843 57.302 -0.459 1 1 1279 . 2 1 1 A 117 117 PHE CB C 117 38.251 38.347 -0.096 1 1 1280 . 2 1 1 A 117 117 PHE N N 117 113.432 112.744 0.688 1 1 1281 . 2 1 1 A 118 118 GLY H H 118 7.685 7.636 0.049 1 1 1282 . 2 1 1 A 118 118 GLY HA2 H 118 3.544 4.007 -0.463 1 1 1283 . 2 1 1 A 118 118 GLY HA3 H 118 4.362 4.050 0.312 1 1 1284 . 2 1 1 A 118 118 GLY C C 118 174.901 175.488 -0.587 1 1 1285 . 2 1 1 A 118 118 GLY CA C 118 47.274 46.710 0.564 1 1 1286 . 2 1 1 A 118 118 GLY N N 118 112.143 108.230 3.913 1 1 1287 . 2 1 1 A 119 119 VAL H H 119 8.380 8.121 0.259 1 1 1288 . 2 1 1 A 119 119 VAL HA H 119 4.788 4.744 0.044 1 1 1296 . 2 1 1 A 119 119 VAL C C 119 174.901 175.581 -0.680 1 1 1297 . 2 1 1 A 119 119 VAL CA C 119 59.532 61.678 -2.146 1 1 1298 . 2 1 1 A 119 119 VAL CB C 119 32.509 32.509 0.000 1 1 1301 . 2 1 1 A 119 119 VAL N N 119 102.475 117.388 -14.913 1 1 1302 . 2 1 1 A 120 120 TYR H H 120 6.841 7.788 -0.947 1 1 1303 . 2 1 1 A 120 120 TYR HA H 120 4.484 4.657 -0.173 1 1 1308 . 2 1 1 A 120 120 TYR C C 120 173.443 175.297 -1.854 1 1 1309 . 2 1 1 A 120 120 TYR CA C 120 54.929 57.331 -2.402 1 1 1310 . 2 1 1 A 120 120 TYR CB C 120 37.704 38.723 -1.019 1 1 1311 . 2 1 1 A 120 120 TYR N N 120 124.518 124.397 0.121 1 1 1312 . 2 1 1 A 121 121 ILE H H 121 9.244 8.938 0.306 1 1 1313 . 2 1 1 A 121 121 ILE HA H 121 4.419 3.943 0.476 1 1 1323 . 2 1 1 A 121 121 ILE C C 121 176.221 176.164 0.057 1 1 1324 . 2 1 1 A 121 121 ILE CA C 121 62.014 61.704 0.310 1 1 1325 . 2 1 1 A 121 121 ILE CB C 121 37.704 37.353 0.351 1 1 1329 . 2 1 1 A 121 121 ILE N N 121 128.772 127.881 0.891 1 1 1330 . 2 1 1 A 122 122 LYS H H 122 9.328 8.864 0.464 1 1 1331 . 2 1 1 A 122 122 LYS HA H 122 3.588 3.584 0.004 1 1 1340 . 2 1 1 A 122 122 LYS C C 122 179.069 178.034 1.035 1 1 1341 . 2 1 1 A 122 122 LYS CA C 122 60.124 59.766 0.358 1 1 1342 . 2 1 1 A 122 122 LYS CB C 122 33.329 32.014 1.315 1 1 1346 . 2 1 1 A 122 122 LYS N N 122 134.955 129.901 5.054 1 1 1347 . 2 1 1 A 123 123 GLU H H 123 10.228 7.798 2.430 1 1 1348 . 2 1 1 A 123 123 GLU HA H 123 3.919 4.115 -0.196 1 1 1353 . 2 1 1 A 123 123 GLU C C 123 176.638 178.641 -2.003 1 1 1354 . 2 1 1 A 123 123 GLU CA C 123 61.218 58.660 2.558 1 1 1355 . 2 1 1 A 123 123 GLU CB C 123 29.228 30.217 -0.989 1 1 1357 . 2 1 1 A 123 123 GLU N N 123 115.624 118.941 -3.317 1 1 1358 . 2 1 1 A 124 124 LEU H H 124 6.480 7.789 -1.309 1 1 1359 . 2 1 1 A 124 124 LEU HA H 124 4.464 4.015 0.449 1 1 1369 . 2 1 1 A 124 124 LEU C C 124 175.403 175.972 -0.569 1 1 1370 . 2 1 1 A 124 124 LEU CA C 124 53.562 56.683 -3.121 1 1 1371 . 2 1 1 A 124 124 LEU CB C 124 44.813 42.094 2.719 1 1 1375 . 2 1 1 A 124 124 LEU N N 124 110.434 120.323 -9.889 1 1 1376 . 2 1 1 A 125 125 ARG H H 125 8.701 7.385 1.316 1 1 1377 . 2 1 1 A 125 125 ARG HA H 125 3.783 3.822 -0.039 1 1 1380 . 2 1 1 A 125 125 ARG C C 125 173.029 174.777 -1.748 1 1 1381 . 2 1 1 A 125 125 ARG CA C 125 57.664 56.981 0.683 1 1 1382 . 2 1 1 A 125 125 ARG CB C 125 30.965 27.648 3.317 1 1 1383 . 2 1 1 A 125 125 ARG N N 125 121.940 117.439 4.501 1 1 1384 . 2 1 1 A 126 126 LEU H H 126 6.671 7.465 -0.794 1 1 1385 . 2 1 1 A 126 126 LEU HA H 126 4.621 5.254 -0.633 1 1 1395 . 2 1 1 A 126 126 LEU C C 126 174.203 174.406 -0.203 1 1 1396 . 2 1 1 A 126 126 LEU CA C 126 51.922 53.041 -1.119 1 1 1397 . 2 1 1 A 126 126 LEU CB C 126 46.727 46.308 0.419 1 1 1401 . 2 1 1 A 126 126 LEU N N 126 111.885 118.537 -6.652 1 1 1402 . 2 1 1 A 127 127 LEU H H 127 8.447 8.610 -0.163 1 1 1403 . 2 1 1 A 127 127 LEU HA H 127 5.153 4.895 0.258 1 1 1413 . 2 1 1 A 127 127 LEU C C 127 175.145 176.899 -1.754 1 1 1414 . 2 1 1 A 127 127 LEU CA C 127 52.742 54.404 -1.662 1 1 1415 . 2 1 1 A 127 127 LEU CB C 127 43.172 44.135 -0.963 1 1 1419 . 2 1 1 A 127 127 LEU N N 127 118.983 123.004 -4.021 1 1 1420 . 2 1 1 A 128 128 ALA H H 128 9.160 8.992 0.168 1 1 1421 . 2 1 1 A 128 128 ALA HA H 128 3.843 4.575 -0.732 1 1 1425 . 2 1 1 A 128 128 ALA C C 128 176.603 176.976 -0.373 1 1 1426 . 2 1 1 A 128 128 ALA CA C 128 52.469 51.743 0.726 1 1 1427 . 2 1 1 A 128 128 ALA CB C 128 18.291 20.392 -2.101 1 1 1428 . 2 1 1 A 128 128 ALA N N 128 121.682 128.939 -7.257 1 1 1429 . 2 1 1 A 129 129 ARG H H 129 6.254 8.650 -2.396 1 1 1430 . 2 1 1 A 129 129 ARG HA H 129 4.700 4.996 -0.296 1 1 1436 . 2 1 1 A 129 129 ARG C C 129 176.534 175.238 1.296 1 1 1437 . 2 1 1 A 129 129 ARG CA C 129 55.651 56.008 -0.357 1 1 1438 . 2 1 1 A 129 129 ARG CB C 129 29.775 30.845 -1.070 1 1 1441 . 2 1 1 A 129 129 ARG N N 129 120.393 121.807 -1.414 1 1 1442 . 2 1 1 A 130 130 SER H H 130 8.398 8.773 -0.375 1 1 1443 . 2 1 1 A 130 130 SER HA H 130 4.767 5.001 -0.234 1 1 1446 . 2 1 1 A 130 130 SER C C 130 172.957 172.602 0.355 1 1 1447 . 2 1 1 A 130 130 SER CA C 130 57.658 57.547 0.111 1 1 1448 . 2 1 1 A 130 130 SER CB C 130 63.679 67.668 -3.989 1 1 1449 . 2 1 1 A 130 130 SER N N 130 120.264 122.499 -2.235 1 1 1450 . 2 1 1 A 131 131 VAL H H 131 7.838 8.158 -0.320 1 1 1451 . 2 1 1 A 131 131 VAL HA H 131 5.086 5.014 0.072 1 1 1459 . 2 1 1 A 131 131 VAL C C 131 172.853 173.057 -0.204 1 1 1460 . 2 1 1 A 131 131 VAL CA C 131 60.746 60.115 0.631 1 1 1461 . 2 1 1 A 131 131 VAL CB C 131 36.610 35.410 1.200 1 1 1464 . 2 1 1 A 131 131 VAL N N 131 118.460 120.539 -2.079 1 1 1465 . 2 1 1 A 132 132 PHE H H 132 9.259 9.520 -0.261 1 1 1466 . 2 1 1 A 132 132 PHE HA H 132 5.583 5.548 0.035 1 1 1470 . 2 1 1 A 132 132 PHE C C 132 174.797 174.905 -0.108 1 1 1471 . 2 1 1 A 132 132 PHE CA C 132 56.296 56.199 0.097 1 1 1472 . 2 1 1 A 132 132 PHE CB C 132 44.539 44.056 0.483 1 1 1473 . 2 1 1 A 132 132 PHE N N 132 121.682 125.176 -3.494 1 1 1474 . 2 1 1 A 133 133 VAL H H 133 8.907 8.736 0.171 1 1 1475 . 2 1 1 A 133 133 VAL HA H 133 5.331 5.121 0.210 1 1 1483 . 2 1 1 A 133 133 VAL C C 133 174.450 175.137 -0.687 1 1 1484 . 2 1 1 A 133 133 VAL CA C 133 61.491 60.598 0.893 1 1 1485 . 2 1 1 A 133 133 VAL CB C 133 34.696 35.956 -1.260 1 1 1488 . 2 1 1 A 133 133 VAL N N 133 119.878 120.070 -0.192 1 1 1489 . 2 1 1 A 134 134 LEU H H 134 9.976 9.182 0.794 1 1 1490 . 2 1 1 A 134 134 LEU HA H 134 5.680 5.324 0.356 1 1 1500 . 2 1 1 A 134 134 LEU C C 134 176.777 175.166 1.611 1 1 1501 . 2 1 1 A 134 134 LEU CA C 134 52.195 53.529 -1.334 1 1 1502 . 2 1 1 A 134 134 LEU CB C 134 44.813 45.672 -0.859 1 1 1506 . 2 1 1 A 134 134 LEU N N 134 129.417 126.624 2.793 1 1 1507 . 2 1 1 A 135 135 ASP H H 135 9.051 9.213 -0.162 1 1 1508 . 2 1 1 A 135 135 ASP HA H 135 4.708 4.745 -0.037 1 1 1511 . 2 1 1 A 135 135 ASP C C 135 177.193 177.339 -0.146 1 1 1512 . 2 1 1 A 135 135 ASP CA C 135 52.276 53.636 -1.360 1 1 1513 . 2 1 1 A 135 135 ASP CB C 135 40.711 42.067 -1.356 1 1 1514 . 2 1 1 A 135 135 ASP N N 135 119.362 124.803 -5.441 1 1 1515 . 2 1 1 A 136 136 GLU H H 136 9.970 8.937 1.033 1 1 1516 . 2 1 1 A 136 136 GLU HA H 136 3.953 4.012 -0.059 1 1 1521 . 2 1 1 A 136 136 GLU C C 136 177.055 178.066 -1.011 1 1 1522 . 2 1 1 A 136 136 GLU CA C 136 58.757 59.452 -0.695 1 1 1523 . 2 1 1 A 136 136 GLU CB C 136 28.681 29.331 -0.650 1 1 1525 . 2 1 1 A 136 136 GLU N N 136 116.011 123.993 -7.982 1 1 1526 . 2 1 1 A 137 137 ASN H H 137 8.514 8.281 0.233 1 1 1527 . 2 1 1 A 137 137 ASN HA H 137 5.026 4.636 0.390 1 1 1532 . 2 1 1 A 137 137 ASN C C 137 175.943 176.496 -0.553 1 1 1533 . 2 1 1 A 137 137 ASN CA C 137 52.753 52.616 0.137 1 1 1534 . 2 1 1 A 137 137 ASN CB C 137 40.164 37.260 2.904 1 1 1535 . 2 1 1 A 137 137 ASN N N 137 117.042 113.948 3.094 1 1 1537 . 2 1 1 A 138 138 GLY H H 138 8.430 8.485 -0.055 1 1 1538 . 2 1 1 A 138 138 GLY HA2 H 138 3.690 4.001 -0.311 1 1 1539 . 2 1 1 A 138 138 GLY HA3 H 138 4.213 4.037 0.176 1 1 1540 . 2 1 1 A 138 138 GLY C C 138 172.436 174.376 -1.940 1 1 1541 . 2 1 1 A 138 138 GLY CA C 138 46.180 45.095 1.085 1 1 1542 . 2 1 1 A 138 138 GLY N N 138 109.565 108.824 0.741 1 1 1543 . 2 1 1 A 139 139 LYS H H 139 8.573 7.977 0.596 1 1 1544 . 2 1 1 A 139 139 LYS HA H 139 4.472 4.269 0.203 1 1 1553 . 2 1 1 A 139 139 LYS C C 139 176.742 175.920 0.822 1 1 1554 . 2 1 1 A 139 139 LYS CA C 139 56.195 56.468 -0.273 1 1 1555 . 2 1 1 A 139 139 LYS CB C 139 32.782 32.967 -0.185 1 1 1559 . 2 1 1 A 139 139 LYS N N 139 123.358 122.166 1.192 1 1 1560 . 2 1 1 A 140 140 VAL H H 140 9.102 8.624 0.478 1 1 1561 . 2 1 1 A 140 140 VAL HA H 140 4.293 4.404 -0.111 1 1 1569 . 2 1 1 A 140 140 VAL C C 140 177.124 175.917 1.207 1 1 1570 . 2 1 1 A 140 140 VAL CA C 140 63.952 62.450 1.502 1 1 1571 . 2 1 1 A 140 140 VAL CB C 140 31.142 32.504 -1.362 1 1 1574 . 2 1 1 A 140 140 VAL N N 140 125.292 124.031 1.261 1 1 1575 . 2 1 1 A 141 141 VAL H H 141 9.332 9.520 -0.188 1 1 1576 . 2 1 1 A 141 141 VAL HA H 141 4.670 4.432 0.238 1 1 1584 . 2 1 1 A 141 141 VAL C C 141 175.249 175.521 -0.272 1 1 1585 . 2 1 1 A 141 141 VAL CA C 141 61.491 63.211 -1.720 1 1 1586 . 2 1 1 A 141 141 VAL CB C 141 32.509 33.703 -1.194 1 1 1589 . 2 1 1 A 141 141 VAL N N 141 124.261 125.225 -0.964 1 1 1590 . 2 1 1 A 142 142 TYR H H 142 7.959 7.589 0.370 1 1 1591 . 2 1 1 A 142 142 TYR HA H 142 4.389 4.795 -0.406 1 1 1596 . 2 1 1 A 142 142 TYR C C 142 172.262 173.495 -1.233 1 1 1597 . 2 1 1 A 142 142 TYR CA C 142 58.757 58.004 0.753 1 1 1598 . 2 1 1 A 142 142 TYR CB C 142 41.805 41.686 0.119 1 1 1599 . 2 1 1 A 142 142 TYR N N 142 122.198 121.084 1.114 1 1 1600 . 2 1 1 A 143 143 ALA H H 143 7.642 7.853 -0.211 1 1 1601 . 2 1 1 A 143 143 ALA HA H 143 4.883 4.740 0.143 1 1 1605 . 2 1 1 A 143 143 ALA C C 143 175.353 174.937 0.416 1 1 1606 . 2 1 1 A 143 143 ALA CA C 143 51.703 51.300 0.403 1 1 1607 . 2 1 1 A 143 143 ALA CB C 143 22.666 22.429 0.237 1 1 1608 . 2 1 1 A 143 143 ALA N N 143 129.804 128.434 1.370 1 1 1609 . 2 1 1 A 144 144 GLU H H 144 8.292 8.115 0.177 1 1 1610 . 2 1 1 A 144 144 GLU HA H 144 4.297 4.609 -0.312 1 1 1615 . 2 1 1 A 144 144 GLU C C 144 173.860 173.739 0.121 1 1 1616 . 2 1 1 A 144 144 GLU CA C 144 56.296 55.186 1.110 1 1 1617 . 2 1 1 A 144 144 GLU CB C 144 32.509 33.768 -1.259 1 1 1619 . 2 1 1 A 144 144 GLU N N 144 122.198 121.458 0.740 1 1 1620 . 2 1 1 A 145 145 TYR H H 145 9.006 9.063 -0.057 1 1 1621 . 2 1 1 A 145 145 TYR HA H 145 4.125 5.144 -1.019 1 1 1626 . 2 1 1 A 145 145 TYR C C 145 175.164 175.205 -0.041 1 1 1627 . 2 1 1 A 145 145 TYR CA C 145 57.117 56.647 0.470 1 1 1628 . 2 1 1 A 145 145 TYR CB C 145 38.251 39.789 -1.538 1 1 1629 . 2 1 1 A 145 145 TYR N N 145 128.128 124.887 3.241 1 1 1630 . 2 1 1 A 146 146 VAL H H 146 7.441 8.624 -1.183 1 1 1631 . 2 1 1 A 146 146 VAL HA H 146 3.672 4.024 -0.352 1 1 1639 . 2 1 1 A 146 146 VAL C C 146 176.777 176.457 0.320 1 1 1640 . 2 1 1 A 146 146 VAL CA C 146 64.226 63.665 0.561 1 1 1641 . 2 1 1 A 146 146 VAL CB C 146 30.868 32.060 -1.192 1 1 1644 . 2 1 1 A 146 146 VAL N N 146 125.808 126.367 -0.559 1 1 1645 . 2 1 1 A 147 147 SER H H 147 8.359 8.638 -0.279 1 1 1646 . 2 1 1 A 147 147 SER HA H 147 4.007 4.343 -0.336 1 1 1649 . 2 1 1 A 147 147 SER C C 147 172.123 174.532 -2.409 1 1 1650 . 2 1 1 A 147 147 SER CA C 147 63.132 61.087 2.045 1 1 1651 . 2 1 1 A 147 147 SER CB C 147 62.859 63.100 -0.241 1 1 1652 . 2 1 1 A 147 147 SER N N 147 121.425 121.499 -0.074 1 1 1653 . 2 1 1 A 148 148 GLU H H 148 7.177 7.940 -0.763 1 1 1654 . 2 1 1 A 148 148 GLU HA H 148 5.055 4.924 0.131 1 1 1659 . 2 1 1 A 148 148 GLU C C 148 176.082 176.954 -0.872 1 1 1660 . 2 1 1 A 148 148 GLU CA C 148 52.563 55.413 -2.850 1 1 1661 . 2 1 1 A 148 148 GLU CB C 148 29.774 32.144 -2.370 1 1 1663 . 2 1 1 A 148 148 GLU N N 148 119.620 120.298 -0.678 1 1 1664 . 2 1 1 A 149 149 ALA H H 149 9.142 9.377 -0.235 1 1 1665 . 2 1 1 A 149 149 ALA HA H 149 4.704 4.099 0.605 1 1 1669 . 2 1 1 A 149 149 ALA C C 149 177.437 178.965 -1.528 1 1 1670 . 2 1 1 A 149 149 ALA CA C 149 54.466 55.683 -1.217 1 1 1671 . 2 1 1 A 149 149 ALA CB C 149 19.111 18.506 0.605 1 1 1672 . 2 1 1 A 149 149 ALA N N 149 127.741 129.703 -1.962 1 1 1673 . 2 1 1 A 150 150 THR H H 150 8.200 7.741 0.459 1 1 1674 . 2 1 1 A 150 150 THR HA H 150 4.393 4.383 0.010 1 1 1679 . 2 1 1 A 150 150 THR C C 150 174.554 174.290 0.264 1 1 1680 . 2 1 1 A 150 150 THR CA C 150 62.312 63.227 -0.915 1 1 1681 . 2 1 1 A 150 150 THR CB C 150 69.694 69.091 0.603 1 1 1683 . 2 1 1 A 150 150 THR N N 150 104.453 112.715 -8.262 1 1 1684 . 2 1 1 A 151 151 ASN H H 151 7.984 7.890 0.094 1 1 1685 . 2 1 1 A 151 151 ASN HA H 151 4.947 4.768 0.179 1 1 1690 . 2 1 1 A 151 151 ASN C C 151 174.554 174.761 -0.207 1 1 1691 . 2 1 1 A 151 151 ASN CA C 151 51.135 51.953 -0.818 1 1 1692 . 2 1 1 A 151 151 ASN CB C 151 39.344 40.097 -0.753 1 1 1693 . 2 1 1 A 151 151 ASN N N 151 123.487 120.504 2.983 1 1 1695 . 2 1 1 A 152 152 HIS H H 152 8.160 8.549 -0.389 1 1 1696 . 2 1 1 A 152 152 HIS HA H 152 4.731 5.499 -0.768 1 1 1700 . 2 1 1 A 152 152 HIS C C 152 174.381 173.294 1.087 1 1 1701 . 2 1 1 A 152 152 HIS CA C 152 54.854 53.230 1.624 1 1 1702 . 2 1 1 A 152 152 HIS CB C 152 31.415 32.857 -1.442 1 1 1703 . 2 1 1 A 152 152 HIS N N 152 116.139 116.488 -0.349 1 1 1704 . 2 1 1 A 153 153 PRO HA H 153 4.335 4.512 -0.177 1 1 1709 . 2 1 1 A 153 153 PRO C C 153 173.894 176.237 -2.343 1 1 1710 . 2 1 1 A 153 153 PRO CA C 153 61.491 62.195 -0.704 1 1 1711 . 2 1 1 A 153 153 PRO CB C 153 32.782 32.549 0.233 1 1 1714 . 2 1 1 A 154 154 ASN H H 154 9.511 8.612 0.899 1 1 1715 . 2 1 1 A 154 154 ASN HA H 154 4.306 4.732 -0.426 1 1 1720 . 2 1 1 A 154 154 ASN C C 154 176.568 176.271 0.297 1 1 1721 . 2 1 1 A 154 154 ASN CA C 154 54.656 52.992 1.664 1 1 1722 . 2 1 1 A 154 154 ASN CB C 154 39.071 39.235 -0.164 1 1 1723 . 2 1 1 A 154 154 ASN N N 154 118.718 119.631 -0.913 1 1 1725 . 2 1 1 A 155 155 TYR H H 155 8.691 8.236 0.455 1 1 1726 . 2 1 1 A 155 155 TYR HA H 155 4.364 4.257 0.107 1 1 1731 . 2 1 1 A 155 155 TYR C C 155 176.256 176.712 -0.456 1 1 1732 . 2 1 1 A 155 155 TYR CA C 155 59.304 57.631 1.673 1 1 1733 . 2 1 1 A 155 155 TYR CB C 155 39.344 38.774 0.570 1 1 1734 . 2 1 1 A 155 155 TYR N N 155 125.421 125.483 -0.062 1 1 1735 . 2 1 1 A 156 156 GLU H H 156 8.200 7.968 0.232 1 1 1736 . 2 1 1 A 156 156 GLU HA H 156 4.415 4.077 0.338 1 1 1741 . 2 1 1 A 156 156 GLU C C 156 178.583 179.014 -0.431 1 1 1742 . 2 1 1 A 156 156 GLU CA C 156 58.757 59.320 -0.563 1 1 1743 . 2 1 1 A 156 156 GLU CB C 156 30.868 29.258 1.610 1 1 1745 . 2 1 1 A 156 156 GLU N N 156 119.878 122.696 -2.818 1 1 1746 . 2 1 1 A 157 157 LYS H H 157 8.718 7.740 0.978 1 1 1747 . 2 1 1 A 157 157 LYS HA H 157 4.095 3.912 0.183 1 1 1756 . 2 1 1 A 157 157 LYS C C 157 176.152 175.017 1.135 1 1 1757 . 2 1 1 A 157 157 LYS CA C 157 60.398 61.218 -0.820 1 1 1758 . 2 1 1 A 157 157 LYS CB C 157 30.595 30.836 -0.241 1 1 1762 . 2 1 1 A 157 157 LYS N N 157 121.167 119.598 1.569 1 1 1763 . 2 1 1 A 158 158 PRO HA H 158 3.116 3.712 -0.596 1 1 1770 . 2 1 1 A 158 158 PRO C C 158 177.853 179.413 -1.560 1 1 1771 . 2 1 1 A 158 158 PRO CA C 158 65.319 64.883 0.436 1 1 1772 . 2 1 1 A 158 158 PRO CB C 158 30.595 30.322 0.273 1 1 1775 . 2 1 1 A 159 159 ILE H H 159 6.215 7.162 -0.947 1 1 1776 . 2 1 1 A 159 159 ILE HA H 159 3.594 3.914 -0.320 1 1 1786 . 2 1 1 A 159 159 ILE C C 159 177.610 177.809 -0.199 1 1 1787 . 2 1 1 A 159 159 ILE CA C 159 62.312 64.317 -2.005 1 1 1788 . 2 1 1 A 159 159 ILE CB C 159 35.516 37.867 -2.351 1 1 1792 . 2 1 1 A 159 159 ILE N N 159 113.948 116.256 -2.308 1 1 1793 . 2 1 1 A 160 160 GLU H H 160 7.572 8.629 -1.057 1 1 1794 . 2 1 1 A 160 160 GLU HA H 160 3.876 3.991 -0.115 1 1 1799 . 2 1 1 A 160 160 GLU C C 160 179.277 179.794 -0.517 1 1 1800 . 2 1 1 A 160 160 GLU CA C 160 59.304 59.406 -0.102 1 1 1801 . 2 1 1 A 160 160 GLU CB C 160 29.774 29.300 0.474 1 1 1803 . 2 1 1 A 160 160 GLU N N 160 119.104 120.876 -1.772 1 1 1804 . 2 1 1 A 161 161 ALA H H 161 7.902 8.008 -0.106 1 1 1805 . 2 1 1 A 161 161 ALA HA H 161 4.137 4.193 -0.056 1 1 1809 . 2 1 1 A 161 161 ALA C C 161 179.485 180.165 -0.680 1 1 1810 . 2 1 1 A 161 161 ALA CA C 161 54.656 55.097 -0.441 1 1 1811 . 2 1 1 A 161 161 ALA CB C 161 18.017 17.971 0.046 1 1 1812 . 2 1 1 A 161 161 ALA N N 161 120.393 123.509 -3.116 1 1 1813 . 2 1 1 A 162 162 ALA H H 162 7.734 7.966 -0.232 1 1 1814 . 2 1 1 A 162 162 ALA HA H 162 3.950 4.123 -0.173 1 1 1818 . 2 1 1 A 162 162 ALA C C 162 179.485 179.593 -0.108 1 1 1819 . 2 1 1 A 162 162 ALA CA C 162 54.656 55.167 -0.511 1 1 1820 . 2 1 1 A 162 162 ALA CB C 162 19.111 18.094 1.017 1 1 1821 . 2 1 1 A 162 162 ALA N N 162 118.202 121.007 -2.805 1 1 1822 . 2 1 1 A 163 163 LYS H H 163 8.760 8.572 0.188 1 1 1823 . 2 1 1 A 163 163 LYS HA H 163 3.842 4.007 -0.165 1 1 1832 . 2 1 1 A 163 163 LYS C C 163 178.201 179.487 -1.286 1 1 1833 . 2 1 1 A 163 163 LYS CA C 163 59.578 59.312 0.266 1 1 1834 . 2 1 1 A 163 163 LYS CB C 163 32.782 32.160 0.622 1 1 1838 . 2 1 1 A 163 163 LYS N N 163 118.202 116.942 1.260 1 1 1839 . 2 1 1 A 164 164 ALA H H 164 7.216 8.255 -1.039 1 1 1840 . 2 1 1 A 164 164 ALA HA H 164 4.215 4.099 0.116 1 1 1844 . 2 1 1 A 164 164 ALA C C 164 178.339 180.244 -1.905 1 1 1845 . 2 1 1 A 164 164 ALA CA C 164 53.836 54.887 -1.051 1 1 1846 . 2 1 1 A 164 164 ALA CB C 164 18.291 18.450 -0.159 1 1 1847 . 2 1 1 A 164 164 ALA N N 164 117.557 121.865 -4.308 1 1 1848 . 2 1 1 A 165 165 LEU H H 165 7.503 7.948 -0.445 1 1 1849 . 2 1 1 A 165 165 LEU HA H 165 4.432 4.123 0.309 1 1 1859 . 2 1 1 A 165 165 LEU C C 165 177.714 178.934 -1.220 1 1 1860 . 2 1 1 A 165 165 LEU CA C 165 54.929 57.772 -2.843 1 1 1861 . 2 1 1 A 165 165 LEU CB C 165 44.256 42.257 1.999 1 1 1865 . 2 1 1 A 165 165 LEU N N 165 115.753 120.317 -4.564 1 1 1866 . 2 1 1 A 166 166 VAL H H 166 7.337 8.314 -0.977 1 1 1867 . 2 1 1 A 166 166 VAL HA H 166 4.103 3.591 0.512 1 1 1875 . 2 1 1 A 166 166 VAL C C 166 175.040 178.060 -3.020 1 1 1876 . 2 1 1 A 166 166 VAL CA C 166 62.859 66.682 -3.823 1 1 1877 . 2 1 1 A 166 166 VAL CB C 166 32.509 31.669 0.840 1 1 1880 . 2 1 1 A 166 166 VAL N N 166 118.589 118.316 0.273 1 1 1 . 3 1 1 A 2 2 ALA HA H 2 3.876 4.721 -0.845 1 1 5 . 3 1 1 A 2 2 ALA C C 2 172.590 176.572 -3.982 1 1 6 . 3 1 1 A 2 2 ALA CA C 2 51.922 50.681 1.241 1 1 7 . 3 1 1 A 2 2 ALA CB C 2 18.924 19.232 -0.308 1 1 8 . 3 1 1 A 3 3 GLU H H 3 8.262 8.841 -0.579 1 1 9 . 3 1 1 A 3 3 GLU HA H 3 4.641 4.353 0.288 1 1 14 . 3 1 1 A 3 3 GLU C C 3 175.157 176.135 -0.978 1 1 15 . 3 1 1 A 3 3 GLU CA C 3 55.476 56.665 -1.189 1 1 16 . 3 1 1 A 3 3 GLU CB C 3 31.142 30.429 0.713 1 1 18 . 3 1 1 A 3 3 GLU N N 3 121.167 122.396 -1.229 1 1 19 . 3 1 1 A 4 4 ILE H H 4 9.053 8.256 0.797 1 1 20 . 3 1 1 A 4 4 ILE HA H 4 5.361 5.161 0.200 1 1 30 . 3 1 1 A 4 4 ILE C C 4 175.817 175.000 0.817 1 1 31 . 3 1 1 A 4 4 ILE CA C 4 59.304 59.314 -0.010 1 1 32 . 3 1 1 A 4 4 ILE CB C 4 42.079 41.941 0.138 1 1 36 . 3 1 1 A 4 4 ILE N N 4 124.776 120.479 4.297 1 1 37 . 3 1 1 A 5 5 THR H H 5 8.977 8.505 0.472 1 1 38 . 3 1 1 A 5 5 THR HA H 5 5.141 5.241 -0.100 1 1 43 . 3 1 1 A 5 5 THR C C 5 173.483 173.252 0.231 1 1 44 . 3 1 1 A 5 5 THR CA C 5 59.304 60.681 -1.377 1 1 45 . 3 1 1 A 5 5 THR CB C 5 73.249 72.061 1.188 1 1 47 . 3 1 1 A 5 5 THR N N 5 112.659 117.221 -4.562 1 1 48 . 3 1 1 A 6 6 PHE H H 6 9.173 9.490 -0.317 1 1 49 . 3 1 1 A 6 6 PHE HA H 6 4.866 5.262 -0.396 1 1 53 . 3 1 1 A 6 6 PHE C C 6 175.591 175.206 0.385 1 1 54 . 3 1 1 A 6 6 PHE CA C 6 58.054 57.270 0.784 1 1 55 . 3 1 1 A 6 6 PHE CB C 6 42.625 42.211 0.414 1 1 56 . 3 1 1 A 6 6 PHE N N 6 119.362 124.711 -5.349 1 1 57 . 3 1 1 A 7 7 LYS H H 7 11.130 8.884 2.246 1 1 58 . 3 1 1 A 7 7 LYS HA H 7 3.567 3.925 -0.358 1 1 67 . 3 1 1 A 7 7 LYS C C 7 177.661 176.419 1.242 1 1 68 . 3 1 1 A 7 7 LYS CA C 7 57.390 56.846 0.544 1 1 69 . 3 1 1 A 7 7 LYS CB C 7 29.222 29.982 -0.760 1 1 73 . 3 1 1 A 7 7 LYS N N 7 134.058 125.792 8.266 1 1 74 . 3 1 1 A 8 8 GLY H H 8 8.965 8.893 0.072 1 1 75 . 3 1 1 A 8 8 GLY HA2 H 8 4.244 3.829 0.415 1 1 76 . 3 1 1 A 8 8 GLY HA3 H 8 3.528 3.832 -0.304 1 1 77 . 3 1 1 A 8 8 GLY C C 8 173.822 173.927 -0.105 1 1 78 . 3 1 1 A 8 8 GLY CA C 8 45.360 45.291 0.069 1 1 79 . 3 1 1 A 8 8 GLY N N 8 104.280 108.874 -4.594 1 1 80 . 3 1 1 A 9 9 GLY H H 9 7.942 8.353 -0.411 1 1 81 . 3 1 1 A 9 9 GLY HA2 H 9 4.815 4.169 0.646 1 1 82 . 3 1 1 A 9 9 GLY HA3 H 9 3.715 4.206 -0.491 1 1 83 . 3 1 1 A 9 9 GLY C C 9 171.262 173.403 -2.141 1 1 84 . 3 1 1 A 9 9 GLY CA C 9 43.172 45.088 -1.916 1 1 85 . 3 1 1 A 9 9 GLY N N 9 109.823 107.806 2.017 1 1 86 . 3 1 1 A 10 10 PRO HA H 10 4.640 4.629 0.011 1 1 93 . 3 1 1 A 10 10 PRO C C 10 177.097 176.431 0.666 1 1 94 . 3 1 1 A 10 10 PRO CA C 10 63.952 63.158 0.794 1 1 95 . 3 1 1 A 10 10 PRO CB C 10 32.509 32.352 0.157 1 1 98 . 3 1 1 A 11 11 VAL H H 11 7.770 8.550 -0.780 1 1 99 . 3 1 1 A 11 11 VAL HA H 11 4.632 4.897 -0.265 1 1 107 . 3 1 1 A 11 11 VAL C C 11 174.462 174.084 0.378 1 1 108 . 3 1 1 A 11 11 VAL CA C 11 59.304 59.456 -0.152 1 1 109 . 3 1 1 A 11 11 VAL CB C 11 35.516 35.350 0.166 1 1 112 . 3 1 1 A 11 11 VAL N N 11 115.495 116.724 -1.229 1 1 113 . 3 1 1 A 12 12 THR H H 12 10.773 8.809 1.964 1 1 114 . 3 1 1 A 12 12 THR HA H 12 4.425 4.526 -0.101 1 1 119 . 3 1 1 A 12 12 THR C C 12 173.505 174.603 -1.098 1 1 120 . 3 1 1 A 12 12 THR CA C 12 62.312 62.417 -0.105 1 1 121 . 3 1 1 A 12 12 THR CB C 12 69.694 69.727 -0.033 1 1 123 . 3 1 1 A 12 12 THR N N 12 121.940 121.622 0.318 1 1 124 . 3 1 1 A 13 13 LEU H H 13 8.524 8.699 -0.175 1 1 125 . 3 1 1 A 13 13 LEU HA H 13 5.132 4.548 0.584 1 1 135 . 3 1 1 A 13 13 LEU C C 13 177.285 177.010 0.275 1 1 136 . 3 1 1 A 13 13 LEU CA C 13 53.289 54.276 -0.987 1 1 137 . 3 1 1 A 13 13 LEU CB C 13 42.352 42.625 -0.273 1 1 141 . 3 1 1 A 13 13 LEU N N 13 125.550 126.514 -0.964 1 1 142 . 3 1 1 A 14 14 VAL H H 14 8.962 8.986 -0.024 1 1 143 . 3 1 1 A 14 14 VAL HA H 14 3.859 3.717 0.142 1 1 151 . 3 1 1 A 14 14 VAL C C 14 174.604 178.062 -3.458 1 1 152 . 3 1 1 A 14 14 VAL CA C 14 62.312 65.983 -3.671 1 1 153 . 3 1 1 A 14 14 VAL CB C 14 32.509 32.002 0.507 1 1 156 . 3 1 1 A 14 14 VAL N N 14 126.968 122.075 4.893 1 1 157 . 3 1 1 A 15 15 GLY H H 15 7.838 7.874 -0.036 1 1 158 . 3 1 1 A 15 15 GLY HA2 H 15 5.132 3.945 1.187 1 1 159 . 3 1 1 A 15 15 GLY HA3 H 15 3.730 3.956 -0.226 1 1 160 . 3 1 1 A 15 15 GLY C C 15 174.542 174.494 0.048 1 1 161 . 3 1 1 A 15 15 GLY CA C 15 43.446 45.047 -1.601 1 1 162 . 3 1 1 A 15 15 GLY N N 15 110.596 108.130 2.466 1 1 163 . 3 1 1 A 16 16 GLN H H 16 8.247 7.894 0.353 1 1 164 . 3 1 1 A 16 16 GLN HA H 16 4.347 4.127 0.220 1 1 171 . 3 1 1 A 16 16 GLN C C 16 174.876 175.203 -0.327 1 1 172 . 3 1 1 A 16 16 GLN CA C 16 54.656 58.380 -3.724 1 1 173 . 3 1 1 A 16 16 GLN CB C 16 30.321 27.699 2.622 1 1 175 . 3 1 1 A 16 16 GLN N N 16 120.522 116.667 3.855 1 1 177 . 3 1 1 A 17 17 GLU H H 17 8.149 8.197 -0.048 1 1 178 . 3 1 1 A 17 17 GLU HA H 17 3.938 3.792 0.146 1 1 183 . 3 1 1 A 17 17 GLU C C 17 176.607 175.743 0.864 1 1 184 . 3 1 1 A 17 17 GLU CA C 17 57.117 56.251 0.866 1 1 185 . 3 1 1 A 17 17 GLU CB C 17 30.321 29.455 0.866 1 1 187 . 3 1 1 A 17 17 GLU N N 17 123.616 119.808 3.808 1 1 188 . 3 1 1 A 18 18 VAL H H 18 8.605 8.743 -0.138 1 1 189 . 3 1 1 A 18 18 VAL HA H 18 4.047 4.033 0.014 1 1 197 . 3 1 1 A 18 18 VAL C C 18 174.386 174.728 -0.342 1 1 198 . 3 1 1 A 18 18 VAL CA C 18 61.765 62.656 -0.891 1 1 199 . 3 1 1 A 18 18 VAL CB C 18 32.782 32.715 0.067 1 1 202 . 3 1 1 A 18 18 VAL N N 18 125.936 124.387 1.549 1 1 203 . 3 1 1 A 19 19 LYS H H 19 8.461 8.518 -0.057 1 1 204 . 3 1 1 A 19 19 LYS HA H 19 4.624 4.956 -0.332 1 1 213 . 3 1 1 A 19 19 LYS C C 19 176.457 175.299 1.158 1 1 214 . 3 1 1 A 19 19 LYS CA C 19 53.562 54.299 -0.737 1 1 215 . 3 1 1 A 19 19 LYS CB C 19 34.423 36.041 -1.618 1 1 219 . 3 1 1 A 19 19 LYS N N 19 123.874 127.255 -3.381 1 1 220 . 3 1 1 A 20 20 VAL H H 20 8.349 8.624 -0.275 1 1 221 . 3 1 1 A 20 20 VAL HA H 20 3.421 3.560 -0.139 1 1 229 . 3 1 1 A 20 20 VAL C C 20 177.624 177.237 0.387 1 1 230 . 3 1 1 A 20 20 VAL CA C 20 65.593 66.078 -0.485 1 1 231 . 3 1 1 A 20 20 VAL CB C 20 31.415 31.468 -0.053 1 1 234 . 3 1 1 A 20 20 VAL N N 20 120.393 125.303 -4.910 1 1 235 . 3 1 1 A 21 21 GLY H H 21 9.338 9.376 -0.038 1 1 236 . 3 1 1 A 21 21 GLY HA2 H 21 4.566 4.041 0.525 1 1 237 . 3 1 1 A 21 21 GLY HA3 H 21 3.536 4.049 -0.513 1 1 238 . 3 1 1 A 21 21 GLY C C 21 174.160 174.540 -0.380 1 1 239 . 3 1 1 A 21 21 GLY CA C 21 44.539 45.416 -0.877 1 1 240 . 3 1 1 A 21 21 GLY N N 21 117.429 114.648 2.781 1 1 241 . 3 1 1 A 22 22 ASP H H 22 8.222 7.967 0.255 1 1 242 . 3 1 1 A 22 22 ASP HA H 22 4.650 4.618 0.032 1 1 245 . 3 1 1 A 22 22 ASP C C 22 176.231 175.858 0.373 1 1 246 . 3 1 1 A 22 22 ASP CA C 22 54.382 54.160 0.222 1 1 247 . 3 1 1 A 22 22 ASP CB C 22 40.985 41.208 -0.223 1 1 248 . 3 1 1 A 22 22 ASP N N 22 121.811 121.461 0.350 1 1 249 . 3 1 1 A 23 23 GLN H H 23 8.598 7.966 0.632 1 1 250 . 3 1 1 A 23 23 GLN HA H 23 4.224 4.022 0.202 1 1 257 . 3 1 1 A 23 23 GLN C C 23 175.892 175.129 0.763 1 1 258 . 3 1 1 A 23 23 GLN CA C 23 55.203 56.641 -1.438 1 1 259 . 3 1 1 A 23 23 GLN CB C 23 28.954 27.140 1.814 1 1 261 . 3 1 1 A 23 23 GLN N N 23 119.491 118.698 0.793 1 1 263 . 3 1 1 A 24 24 ALA H H 24 8.664 7.607 1.057 1 1 264 . 3 1 1 A 24 24 ALA HA H 24 4.030 4.097 -0.067 1 1 268 . 3 1 1 A 24 24 ALA C C 24 174.386 176.266 -1.880 1 1 269 . 3 1 1 A 24 24 ALA CA C 24 51.101 50.923 0.178 1 1 270 . 3 1 1 A 24 24 ALA CB C 24 19.111 18.817 0.294 1 1 271 . 3 1 1 A 24 24 ALA N N 24 129.804 121.672 8.132 1 1 272 . 3 1 1 A 25 25 PRO HA H 25 4.422 4.597 -0.175 1 1 279 . 3 1 1 A 25 25 PRO C C 25 173.596 176.111 -2.515 1 1 280 . 3 1 1 A 25 25 PRO CA C 25 61.765 62.733 -0.968 1 1 281 . 3 1 1 A 25 25 PRO CB C 25 32.509 32.295 0.214 1 1 284 . 3 1 1 A 26 26 ASP H H 26 7.546 8.646 -1.100 1 1 285 . 3 1 1 A 26 26 ASP HA H 26 4.411 4.436 -0.025 1 1 288 . 3 1 1 A 26 26 ASP C C 26 175.591 175.045 0.546 1 1 289 . 3 1 1 A 26 26 ASP CA C 26 54.656 52.629 2.027 1 1 290 . 3 1 1 A 26 26 ASP CB C 26 42.625 38.985 3.640 1 1 291 . 3 1 1 A 26 26 ASP N N 26 114.979 122.116 -7.137 1 1 292 . 3 1 1 A 27 27 PHE H H 27 7.379 8.089 -0.710 1 1 293 . 3 1 1 A 27 27 PHE HA H 27 4.659 4.531 0.128 1 1 295 . 3 1 1 A 27 27 PHE C C 27 173.407 175.110 -1.703 1 1 296 . 3 1 1 A 27 27 PHE CA C 27 56.570 56.852 -0.282 1 1 297 . 3 1 1 A 27 27 PHE CB C 27 39.891 39.876 0.015 1 1 298 . 3 1 1 A 27 27 PHE N N 27 113.561 121.029 -7.468 1 1 299 . 3 1 1 A 28 28 THR H H 28 8.540 8.765 -0.225 1 1 300 . 3 1 1 A 28 28 THR HA H 28 4.936 5.514 -0.578 1 1 305 . 3 1 1 A 28 28 THR C C 28 173.443 173.853 -0.410 1 1 306 . 3 1 1 A 28 28 THR CA C 28 62.889 61.169 1.720 1 1 307 . 3 1 1 A 28 28 THR CB C 28 72.155 72.606 -0.451 1 1 309 . 3 1 1 A 28 28 THR N N 28 114.593 114.035 0.558 1 1 310 . 3 1 1 A 29 29 VAL H H 29 9.120 9.307 -0.187 1 1 311 . 3 1 1 A 29 29 VAL HA H 29 4.863 5.046 -0.183 1 1 319 . 3 1 1 A 29 29 VAL C C 29 173.558 174.480 -0.922 1 1 320 . 3 1 1 A 29 29 VAL CA C 29 59.527 59.349 0.178 1 1 321 . 3 1 1 A 29 29 VAL CB C 29 35.243 36.271 -1.028 1 1 324 . 3 1 1 A 29 29 VAL N N 29 119.233 117.902 1.331 1 1 325 . 3 1 1 A 30 30 LEU H H 30 8.565 8.847 -0.282 1 1 326 . 3 1 1 A 30 30 LEU HA H 30 5.615 5.462 0.153 1 1 336 . 3 1 1 A 30 30 LEU C C 30 180.310 176.850 3.460 1 1 337 . 3 1 1 A 30 30 LEU CA C 30 53.562 53.361 0.201 1 1 338 . 3 1 1 A 30 30 LEU CB C 30 47.547 44.814 2.733 1 1 342 . 3 1 1 A 30 30 LEU N N 30 117.429 122.132 -4.703 1 1 343 . 3 1 1 A 31 31 THR H H 31 9.587 8.682 0.905 1 1 344 . 3 1 1 A 31 31 THR HA H 31 4.741 4.572 0.169 1 1 349 . 3 1 1 A 31 31 THR C C 31 176.457 175.625 0.832 1 1 350 . 3 1 1 A 31 31 THR CA C 31 60.632 60.542 0.090 1 1 351 . 3 1 1 A 31 31 THR CB C 31 71.451 71.599 -0.148 1 1 353 . 3 1 1 A 31 31 THR N N 31 114.721 114.404 0.317 1 1 354 . 3 1 1 A 32 32 ASN H H 32 9.812 9.115 0.697 1 1 355 . 3 1 1 A 32 32 ASN HA H 32 4.352 4.484 -0.132 1 1 358 . 3 1 1 A 32 32 ASN C C 32 175.252 176.659 -1.407 1 1 359 . 3 1 1 A 32 32 ASN CA C 32 55.476 56.257 -0.781 1 1 360 . 3 1 1 A 32 32 ASN CB C 32 38.524 38.589 -0.065 1 1 361 . 3 1 1 A 32 32 ASN N N 32 118.460 120.694 -2.234 1 1 362 . 3 1 1 A 33 33 SER H H 33 7.782 7.679 0.103 1 1 363 . 3 1 1 A 33 33 SER HA H 33 4.562 4.593 -0.031 1 1 366 . 3 1 1 A 33 33 SER C C 33 173.822 173.175 0.647 1 1 367 . 3 1 1 A 33 33 SER CA C 33 57.390 58.246 -0.856 1 1 368 . 3 1 1 A 33 33 SER CB C 33 62.859 63.383 -0.524 1 1 369 . 3 1 1 A 33 33 SER N N 33 110.725 112.053 -1.328 1 1 370 . 3 1 1 A 34 34 LEU H H 34 8.342 7.899 0.443 1 1 371 . 3 1 1 A 34 34 LEU HA H 34 3.686 3.934 -0.248 1 1 381 . 3 1 1 A 34 34 LEU C C 34 175.516 175.916 -0.400 1 1 382 . 3 1 1 A 34 34 LEU CA C 34 57.117 56.101 1.016 1 1 383 . 3 1 1 A 34 34 LEU CB C 34 37.430 39.732 -2.302 1 1 387 . 3 1 1 A 34 34 LEU N N 34 116.913 118.767 -1.854 1 1 388 . 3 1 1 A 35 35 GLU H H 35 7.538 7.970 -0.432 1 1 389 . 3 1 1 A 35 35 GLU HA H 35 4.546 4.325 0.221 1 1 394 . 3 1 1 A 35 35 GLU C C 35 176.005 176.541 -0.536 1 1 395 . 3 1 1 A 35 35 GLU CA C 35 54.929 56.434 -1.505 1 1 396 . 3 1 1 A 35 35 GLU CB C 35 30.868 30.306 0.562 1 1 398 . 3 1 1 A 35 35 GLU N N 35 117.429 118.016 -0.587 1 1 399 . 3 1 1 A 36 36 GLU H H 36 8.681 8.733 -0.052 1 1 400 . 3 1 1 A 36 36 GLU HA H 36 4.740 4.481 0.259 1 1 405 . 3 1 1 A 36 36 GLU C C 36 176.833 175.849 0.984 1 1 406 . 3 1 1 A 36 36 GLU CA C 36 56.923 57.192 -0.269 1 1 407 . 3 1 1 A 36 36 GLU CB C 36 30.868 30.230 0.638 1 1 409 . 3 1 1 A 36 36 GLU N N 36 121.296 122.134 -0.838 1 1 410 . 3 1 1 A 37 37 LYS H H 37 9.122 8.496 0.626 1 1 411 . 3 1 1 A 37 37 LYS HA H 37 4.639 4.978 -0.339 1 1 420 . 3 1 1 A 37 37 LYS C C 37 173.671 174.462 -0.791 1 1 421 . 3 1 1 A 37 37 LYS CA C 37 55.476 55.363 0.113 1 1 422 . 3 1 1 A 37 37 LYS CB C 37 35.243 36.546 -1.303 1 1 426 . 3 1 1 A 37 37 LYS N N 37 125.292 123.166 2.126 1 1 427 . 3 1 1 A 38 38 SER H H 38 9.337 8.458 0.879 1 1 428 . 3 1 1 A 38 38 SER HA H 38 5.310 5.036 0.274 1 1 431 . 3 1 1 A 38 38 SER C C 38 175.102 174.690 0.412 1 1 432 . 3 1 1 A 38 38 SER CA C 38 56.296 55.929 0.367 1 1 433 . 3 1 1 A 38 38 SER CB C 38 67.233 66.567 0.666 1 1 434 . 3 1 1 A 38 38 SER N N 38 121.811 118.493 3.318 1 1 435 . 3 1 1 A 39 39 LEU H H 39 7.023 7.963 -0.940 1 1 436 . 3 1 1 A 39 39 LEU HA H 39 3.872 3.654 0.218 1 1 446 . 3 1 1 A 39 39 LEU C C 39 179.845 178.280 1.565 1 1 447 . 3 1 1 A 39 39 LEU CA C 39 58.210 57.956 0.254 1 1 448 . 3 1 1 A 39 39 LEU CB C 39 40.711 40.739 -0.028 1 1 452 . 3 1 1 A 39 39 LEU N N 39 121.811 122.341 -0.530 1 1 453 . 3 1 1 A 40 40 ALA H H 40 8.447 8.022 0.425 1 1 454 . 3 1 1 A 40 40 ALA HA H 40 3.890 3.968 -0.078 1 1 458 . 3 1 1 A 40 40 ALA C C 40 179.995 179.905 0.090 1 1 459 . 3 1 1 A 40 40 ALA CA C 40 55.203 54.668 0.535 1 1 460 . 3 1 1 A 40 40 ALA CB C 40 18.291 18.146 0.145 1 1 461 . 3 1 1 A 40 40 ALA N N 40 119.362 119.166 0.196 1 1 462 . 3 1 1 A 41 41 ASP H H 41 7.517 7.877 -0.360 1 1 463 . 3 1 1 A 41 41 ASP HA H 41 4.469 4.323 0.146 1 1 466 . 3 1 1 A 41 41 ASP C C 41 176.720 178.285 -1.565 1 1 467 . 3 1 1 A 41 41 ASP CA C 41 56.296 56.962 -0.666 1 1 468 . 3 1 1 A 41 41 ASP CB C 41 42.079 40.660 1.419 1 1 469 . 3 1 1 A 41 41 ASP N N 41 114.850 118.830 -3.980 1 1 470 . 3 1 1 A 42 42 MET H H 42 7.989 7.949 0.040 1 1 471 . 3 1 1 A 42 42 MET HA H 42 4.336 4.472 -0.136 1 1 479 . 3 1 1 A 42 42 MET C C 42 175.440 177.088 -1.648 1 1 480 . 3 1 1 A 42 42 MET CA C 42 56.843 58.411 -1.568 1 1 481 . 3 1 1 A 42 42 MET CB C 42 31.962 32.414 -0.452 1 1 484 . 3 1 1 A 42 42 MET N N 42 118.847 116.295 2.552 1 1 485 . 3 1 1 A 43 43 LYS H H 43 6.901 7.388 -0.487 1 1 486 . 3 1 1 A 43 43 LYS HA H 43 4.265 4.236 0.029 1 1 494 . 3 1 1 A 43 43 LYS C C 43 177.435 177.396 0.039 1 1 495 . 3 1 1 A 43 43 LYS CA C 43 57.664 58.472 -0.808 1 1 496 . 3 1 1 A 43 43 LYS CB C 43 33.329 32.554 0.775 1 1 500 . 3 1 1 A 43 43 LYS N N 43 116.913 119.793 -2.880 1 1 501 . 3 1 1 A 44 44 GLY H H 44 9.268 9.106 0.162 1 1 502 . 3 1 1 A 44 44 GLY HA2 H 44 3.692 3.931 -0.239 1 1 503 . 3 1 1 A 44 44 GLY HA3 H 44 4.596 3.934 0.662 1 1 504 . 3 1 1 A 44 44 GLY C C 44 173.671 173.412 0.259 1 1 505 . 3 1 1 A 44 44 GLY CA C 44 44.813 45.513 -0.700 1 1 506 . 3 1 1 A 44 44 GLY N N 44 111.112 111.676 -0.564 1 1 507 . 3 1 1 A 45 45 LYS H H 45 7.516 7.670 -0.154 1 1 508 . 3 1 1 A 45 45 LYS HA H 45 4.754 4.768 -0.014 1 1 515 . 3 1 1 A 45 45 LYS C C 45 175.214 174.546 0.668 1 1 516 . 3 1 1 A 45 45 LYS CA C 45 54.820 55.132 -0.312 1 1 517 . 3 1 1 A 45 45 LYS CB C 45 36.883 36.206 0.677 1 1 521 . 3 1 1 A 45 45 LYS N N 45 117.944 119.446 -1.502 1 1 522 . 3 1 1 A 46 46 VAL H H 46 8.887 8.619 0.268 1 1 523 . 3 1 1 A 46 46 VAL HA H 46 3.950 4.112 -0.162 1 1 531 . 3 1 1 A 46 46 VAL C C 46 174.876 175.420 -0.544 1 1 532 . 3 1 1 A 46 46 VAL CA C 46 64.773 63.369 1.404 1 1 533 . 3 1 1 A 46 46 VAL CB C 46 31.962 32.205 -0.243 1 1 536 . 3 1 1 A 46 46 VAL N N 46 124.776 124.714 0.062 1 1 537 . 3 1 1 A 47 47 THR H H 47 8.956 8.742 0.214 1 1 538 . 3 1 1 A 47 47 THR HA H 47 5.300 5.194 0.106 1 1 543 . 3 1 1 A 47 47 THR C C 47 172.579 173.663 -1.084 1 1 544 . 3 1 1 A 47 47 THR CA C 47 62.312 61.429 0.883 1 1 545 . 3 1 1 A 47 47 THR CB C 47 73.249 72.232 1.017 1 1 547 . 3 1 1 A 47 47 THR N N 47 124.132 122.479 1.653 1 1 548 . 3 1 1 A 48 48 ILE H H 48 9.160 8.863 0.297 1 1 549 . 3 1 1 A 48 48 ILE HA H 48 4.740 5.066 -0.326 1 1 559 . 3 1 1 A 48 48 ILE C C 48 173.972 175.180 -1.208 1 1 560 . 3 1 1 A 48 48 ILE CA C 48 61.441 60.190 1.251 1 1 561 . 3 1 1 A 48 48 ILE CB C 48 40.438 42.438 -2.000 1 1 565 . 3 1 1 A 48 48 ILE N N 48 128.515 124.268 4.247 1 1 566 . 3 1 1 A 49 49 ILE H H 49 9.507 9.147 0.360 1 1 567 . 3 1 1 A 49 49 ILE HA H 49 4.883 5.102 -0.219 1 1 577 . 3 1 1 A 49 49 ILE C C 49 174.650 175.043 -0.393 1 1 578 . 3 1 1 A 49 49 ILE CA C 49 60.773 60.140 0.633 1 1 579 . 3 1 1 A 49 49 ILE CB C 49 41.532 42.064 -0.532 1 1 583 . 3 1 1 A 49 49 ILE N N 49 126.194 126.864 -0.670 1 1 584 . 3 1 1 A 50 50 SER H H 50 9.079 8.802 0.277 1 1 585 . 3 1 1 A 50 50 SER HA H 50 5.138 5.467 -0.329 1 1 588 . 3 1 1 A 50 50 SER C C 50 172.692 173.148 -0.456 1 1 589 . 3 1 1 A 50 50 SER CA C 50 56.843 57.058 -0.215 1 1 590 . 3 1 1 A 50 50 SER CB C 50 64.773 66.525 -1.752 1 1 591 . 3 1 1 A 50 50 SER N N 50 121.940 123.869 -1.929 1 1 592 . 3 1 1 A 51 51 VAL H H 51 9.010 8.911 0.099 1 1 593 . 3 1 1 A 51 51 VAL HA H 51 4.873 5.101 -0.228 1 1 601 . 3 1 1 A 51 51 VAL CA C 51 61.595 60.852 0.743 1 1 602 . 3 1 1 A 51 51 VAL CB C 51 32.509 35.467 -2.958 1 1 605 . 3 1 1 A 51 51 VAL N N 51 128.128 122.742 5.386 1 1 606 . 3 1 1 A 52 52 ILE H H 52 8.182 8.828 -0.646 1 1 607 . 3 1 1 A 52 52 ILE HA H 52 4.862 4.809 0.053 1 1 616 . 3 1 1 A 52 52 ILE CA C 52 58.026 57.066 0.960 1 1 617 . 3 1 1 A 52 52 ILE CB C 52 43.172 40.638 2.534 1 1 621 . 3 1 1 A 52 52 ILE N N 52 124.776 123.024 1.752 1 1 622 . 3 1 1 A 53 53 PRO HA H 53 4.904 4.578 0.326 1 1 629 . 3 1 1 A 53 53 PRO CA C 53 65.560 64.248 1.312 1 1 630 . 3 1 1 A 53 53 PRO CB C 53 31.826 31.965 -0.139 1 1 633 . 3 1 1 A 54 54 SER H H 54 7.214 7.789 -0.575 1 1 634 . 3 1 1 A 54 54 SER HA H 54 5.100 4.824 0.276 1 1 637 . 3 1 1 A 54 54 SER CA C 54 57.417 57.609 -0.192 1 1 638 . 3 1 1 A 54 54 SER CB C 54 65.195 67.248 -2.053 1 1 639 . 3 1 1 A 54 54 SER N N 54 107.901 113.452 -5.551 1 1 640 . 3 1 1 A 55 55 ILE H H 55 7.330 8.622 -1.292 1 1 641 . 3 1 1 A 55 55 ILE HA H 55 5.075 4.444 0.631 1 1 651 . 3 1 1 A 55 55 ILE CA C 55 61.734 61.125 0.609 1 1 652 . 3 1 1 A 55 55 ILE CB C 55 36.233 41.049 -4.816 1 1 656 . 3 1 1 A 56 56 ASP H H 56 8.699 8.208 0.491 1 1 657 . 3 1 1 A 56 56 ASP HA H 56 5.075 4.521 0.554 1 1 660 . 3 1 1 A 56 56 ASP CA C 56 54.407 56.289 -1.882 1 1 661 . 3 1 1 A 56 56 ASP CB C 56 42.832 40.865 1.967 1 1 662 . 3 1 1 A 56 56 ASP N N 56 121.940 122.475 -0.535 1 1 663 . 3 1 1 A 57 57 THR H H 57 7.294 7.423 -0.129 1 1 664 . 3 1 1 A 57 57 THR HA H 57 4.323 4.360 -0.037 1 1 669 . 3 1 1 A 57 57 THR C C 57 175.440 176.319 -0.879 1 1 670 . 3 1 1 A 57 57 THR CA C 57 61.765 62.587 -0.822 1 1 671 . 3 1 1 A 57 57 THR CB C 57 69.421 69.534 -0.113 1 1 673 . 3 1 1 A 57 57 THR N N 57 108.921 113.440 -4.519 1 1 674 . 3 1 1 A 58 58 GLY H H 58 8.215 8.764 -0.549 1 1 675 . 3 1 1 A 58 58 GLY HA2 H 58 4.012 3.849 0.163 1 1 676 . 3 1 1 A 58 58 GLY HA3 H 58 4.012 3.852 0.160 1 1 677 . 3 1 1 A 58 58 GLY C C 58 173.520 175.993 -2.473 1 1 678 . 3 1 1 A 58 58 GLY CA C 58 45.360 46.378 -1.018 1 1 679 . 3 1 1 A 58 58 GLY N N 58 110.969 113.611 -2.642 1 1 680 . 3 1 1 A 59 59 VAL H H 59 7.976 7.630 0.346 1 1 681 . 3 1 1 A 59 59 VAL HA H 59 4.307 3.805 0.502 1 1 689 . 3 1 1 A 59 59 VAL C C 59 175.854 177.730 -1.876 1 1 690 . 3 1 1 A 59 59 VAL CA C 59 61.765 65.105 -3.340 1 1 691 . 3 1 1 A 59 59 VAL CB C 59 33.329 31.035 2.294 1 1 694 . 3 1 1 A 59 59 VAL N N 59 118.501 118.426 0.075 1 1 696 . 3 1 1 A 61 61 ASP HA H 61 4.323 4.355 -0.032 1 1 697 . 3 1 1 A 61 61 ASP CA C 61 54.382 56.731 -2.349 1 1 698 . 3 1 1 A 61 61 ASP CB C 61 39.142 40.578 -1.436 1 1 699 . 3 1 1 A 62 62 ALA H H 62 8.663 7.107 1.556 1 1 700 . 3 1 1 A 62 62 ALA HA H 62 3.971 4.002 -0.031 1 1 704 . 3 1 1 A 62 62 ALA C C 62 180.485 177.351 3.134 1 1 705 . 3 1 1 A 62 62 ALA CA C 62 55.203 53.932 1.271 1 1 706 . 3 1 1 A 62 62 ALA CB C 62 18.838 19.027 -0.189 1 1 707 . 3 1 1 A 63 63 GLN H H 63 8.550 7.851 0.699 1 1 708 . 3 1 1 A 63 63 GLN HA H 63 3.865 4.548 -0.683 1 1 715 . 3 1 1 A 63 63 GLN C C 63 178.527 174.654 3.873 1 1 716 . 3 1 1 A 63 63 GLN CA C 63 59.346 55.218 4.128 1 1 717 . 3 1 1 A 63 63 GLN CB C 63 28.635 32.190 -3.555 1 1 719 . 3 1 1 A 63 63 GLN N N 63 117.429 114.921 2.508 1 1 721 . 3 1 1 A 64 64 THR H H 64 8.121 8.330 -0.209 1 1 722 . 3 1 1 A 64 64 THR HA H 64 3.624 4.490 -0.866 1 1 727 . 3 1 1 A 64 64 THR C C 64 178.527 174.525 4.002 1 1 728 . 3 1 1 A 64 64 THR CA C 64 66.686 65.195 1.491 1 1 729 . 3 1 1 A 64 64 THR CB C 64 68.600 67.083 1.517 1 1 731 . 3 1 1 A 64 64 THR N N 64 118.460 116.428 2.032 1 1 732 . 3 1 1 A 65 65 ARG H H 65 7.530 8.286 -0.756 1 1 733 . 3 1 1 A 65 65 ARG HA H 65 3.904 3.920 -0.016 1 1 739 . 3 1 1 A 65 65 ARG CA C 65 59.507 59.644 -0.137 1 1 740 . 3 1 1 A 65 65 ARG CB C 65 29.637 29.740 -0.103 1 1 743 . 3 1 1 A 66 66 ARG H H 66 7.972 7.803 0.169 1 1 744 . 3 1 1 A 66 66 ARG HA H 66 4.056 3.960 0.096 1 1 751 . 3 1 1 A 66 66 ARG C C 66 177.624 178.190 -0.566 1 1 752 . 3 1 1 A 66 66 ARG CA C 66 59.031 58.703 0.328 1 1 753 . 3 1 1 A 66 66 ARG CB C 66 29.228 29.617 -0.389 1 1 756 . 3 1 1 A 66 66 ARG N N 66 118.460 119.076 -0.616 1 1 757 . 3 1 1 A 67 67 PHE H H 67 7.673 7.852 -0.179 1 1 758 . 3 1 1 A 67 67 PHE HA H 67 4.260 4.115 0.145 1 1 763 . 3 1 1 A 67 67 PHE C C 67 176.043 177.518 -1.475 1 1 764 . 3 1 1 A 67 67 PHE CA C 67 60.945 60.792 0.153 1 1 765 . 3 1 1 A 67 67 PHE CB C 67 39.071 38.825 0.246 1 1 766 . 3 1 1 A 67 67 PHE N N 67 119.362 120.360 -0.998 1 1 767 . 3 1 1 A 68 68 ASN H H 68 7.688 8.519 -0.831 1 1 768 . 3 1 1 A 68 68 ASN HA H 68 4.150 3.892 0.258 1 1 771 . 3 1 1 A 68 68 ASN C C 68 177.172 177.372 -0.200 1 1 772 . 3 1 1 A 68 68 ASN CA C 68 55.750 56.028 -0.278 1 1 773 . 3 1 1 A 68 68 ASN CB C 68 37.977 37.667 0.310 1 1 774 . 3 1 1 A 68 68 ASN N N 68 117.042 117.351 -0.309 1 1 775 . 3 1 1 A 69 69 GLU H H 69 8.185 8.391 -0.206 1 1 776 . 3 1 1 A 69 69 GLU HA H 69 3.848 3.939 -0.091 1 1 781 . 3 1 1 A 69 69 GLU C C 69 179.468 179.202 0.266 1 1 782 . 3 1 1 A 69 69 GLU CA C 69 59.577 59.629 -0.052 1 1 783 . 3 1 1 A 69 69 GLU CB C 69 30.321 29.098 1.223 1 1 785 . 3 1 1 A 69 69 GLU N N 69 118.975 119.285 -0.310 1 1 786 . 3 1 1 A 70 70 GLU H H 70 8.671 8.212 0.459 1 1 787 . 3 1 1 A 70 70 GLU HA H 70 3.807 3.987 -0.180 1 1 792 . 3 1 1 A 70 70 GLU C C 70 179.468 179.209 0.259 1 1 793 . 3 1 1 A 70 70 GLU CA C 70 58.757 58.993 -0.236 1 1 794 . 3 1 1 A 70 70 GLU CB C 70 29.501 29.273 0.228 1 1 796 . 3 1 1 A 70 70 GLU N N 70 118.975 118.251 0.724 1 1 797 . 3 1 1 A 71 71 ALA H H 71 8.418 8.126 0.292 1 1 798 . 3 1 1 A 71 71 ALA HA H 71 3.616 3.993 -0.377 1 1 802 . 3 1 1 A 71 71 ALA C C 71 178.226 180.342 -2.116 1 1 803 . 3 1 1 A 71 71 ALA CA C 71 54.656 54.807 -0.151 1 1 804 . 3 1 1 A 71 71 ALA CB C 71 18.017 17.841 0.176 1 1 805 . 3 1 1 A 71 71 ALA N N 71 122.069 123.216 -1.147 1 1 806 . 3 1 1 A 72 72 ALA H H 72 7.520 7.989 -0.469 1 1 807 . 3 1 1 A 72 72 ALA HA H 72 3.842 3.961 -0.119 1 1 811 . 3 1 1 A 72 72 ALA C C 72 179.280 179.251 0.029 1 1 812 . 3 1 1 A 72 72 ALA CA C 72 54.109 54.645 -0.536 1 1 813 . 3 1 1 A 72 72 ALA CB C 72 18.564 18.296 0.268 1 1 814 . 3 1 1 A 72 72 ALA N N 72 116.139 120.069 -3.930 1 1 815 . 3 1 1 A 73 73 LYS H H 73 7.302 7.698 -0.396 1 1 816 . 3 1 1 A 73 73 LYS HA H 73 4.129 4.117 0.012 1 1 825 . 3 1 1 A 73 73 LYS C C 73 177.661 179.281 -1.620 1 1 826 . 3 1 1 A 73 73 LYS CA C 73 57.116 59.214 -2.098 1 1 827 . 3 1 1 A 73 73 LYS CB C 73 32.782 32.291 0.491 1 1 831 . 3 1 1 A 73 73 LYS N N 73 114.850 117.851 -3.001 1 1 832 . 3 1 1 A 74 74 LEU H H 74 7.398 7.253 0.145 1 1 833 . 3 1 1 A 74 74 LEU HA H 74 3.983 4.034 -0.051 1 1 843 . 3 1 1 A 74 74 LEU C C 74 177.021 176.820 0.201 1 1 844 . 3 1 1 A 74 74 LEU CA C 74 56.843 57.223 -0.380 1 1 845 . 3 1 1 A 74 74 LEU CB C 74 42.625 42.538 0.087 1 1 849 . 3 1 1 A 74 74 LEU N N 74 118.460 119.375 -0.915 1 1 850 . 3 1 1 A 75 75 GLY H H 75 7.174 6.841 0.333 1 1 851 . 3 1 1 A 75 75 GLY HA2 H 75 4.215 4.043 0.172 1 1 852 . 3 1 1 A 75 75 GLY HA3 H 75 3.630 4.043 -0.413 1 1 853 . 3 1 1 A 75 75 GLY C C 75 172.805 172.629 0.176 1 1 854 . 3 1 1 A 75 75 GLY CA C 75 45.360 45.565 -0.205 1 1 855 . 3 1 1 A 75 75 GLY N N 75 102.991 104.183 -1.192 1 1 856 . 3 1 1 A 76 76 ASP H H 76 8.825 8.495 0.330 1 1 857 . 3 1 1 A 76 76 ASP HA H 76 4.766 4.716 0.050 1 1 860 . 3 1 1 A 76 76 ASP C C 76 173.749 175.491 -1.742 1 1 861 . 3 1 1 A 76 76 ASP CA C 76 53.708 53.045 0.663 1 1 862 . 3 1 1 A 76 76 ASP CB C 76 39.071 39.475 -0.404 1 1 863 . 3 1 1 A 76 76 ASP N N 76 126.839 120.578 6.261 1 1 864 . 3 1 1 A 77 77 VAL H H 77 7.511 7.518 -0.007 1 1 865 . 3 1 1 A 77 77 VAL HA H 77 4.772 4.092 0.680 1 1 873 . 3 1 1 A 77 77 VAL C C 77 175.629 175.715 -0.086 1 1 874 . 3 1 1 A 77 77 VAL CA C 77 58.959 62.000 -3.041 1 1 875 . 3 1 1 A 77 77 VAL CB C 77 34.970 32.621 2.349 1 1 878 . 3 1 1 A 77 77 VAL N N 77 115.615 117.283 -1.668 1 1 879 . 3 1 1 A 78 78 ASN H H 78 8.822 8.762 0.060 1 1 880 . 3 1 1 A 78 78 ASN HA H 78 4.820 4.670 0.150 1 1 885 . 3 1 1 A 78 78 ASN C C 78 174.047 175.132 -1.085 1 1 886 . 3 1 1 A 78 78 ASN CA C 78 52.085 53.606 -1.521 1 1 887 . 3 1 1 A 78 78 ASN CB C 78 40.438 38.654 1.784 1 1 888 . 3 1 1 A 78 78 ASN N N 78 120.393 122.727 -2.334 1 1 890 . 3 1 1 A 79 79 VAL H H 79 8.044 8.417 -0.373 1 1 891 . 3 1 1 A 79 79 VAL HA H 79 4.669 4.886 -0.217 1 1 899 . 3 1 1 A 79 79 VAL C C 79 174.123 173.408 0.715 1 1 900 . 3 1 1 A 79 79 VAL CA C 79 61.491 59.589 1.902 1 1 901 . 3 1 1 A 79 79 VAL CB C 79 33.329 35.138 -1.809 1 1 904 . 3 1 1 A 79 79 VAL N N 79 122.456 117.318 5.138 1 1 905 . 3 1 1 A 80 80 TYR H H 80 8.944 8.669 0.275 1 1 906 . 3 1 1 A 80 80 TYR HA H 80 6.170 5.224 0.946 1 1 911 . 3 1 1 A 80 80 TYR C C 80 177.210 175.196 2.014 1 1 912 . 3 1 1 A 80 80 TYR CA C 80 54.929 56.037 -1.108 1 1 913 . 3 1 1 A 80 80 TYR CB C 80 42.899 42.787 0.112 1 1 914 . 3 1 1 A 80 80 TYR N N 80 123.229 123.530 -0.301 1 1 915 . 3 1 1 A 81 81 THR H H 81 8.465 8.693 -0.228 1 1 916 . 3 1 1 A 81 81 THR HA H 81 5.652 4.986 0.666 1 1 921 . 3 1 1 A 81 81 THR C C 81 172.880 173.556 -0.676 1 1 922 . 3 1 1 A 81 81 THR CA C 81 62.038 61.353 0.685 1 1 923 . 3 1 1 A 81 81 THR CB C 81 71.608 70.335 1.273 1 1 925 . 3 1 1 A 81 81 THR N N 81 119.491 116.161 3.330 1 1 926 . 3 1 1 A 82 82 ILE H H 82 8.958 9.292 -0.334 1 1 927 . 3 1 1 A 82 82 ILE HA H 82 5.145 4.414 0.731 1 1 937 . 3 1 1 A 82 82 ILE C C 82 174.123 175.185 -1.062 1 1 938 . 3 1 1 A 82 82 ILE CA C 82 59.847 61.219 -1.372 1 1 939 . 3 1 1 A 82 82 ILE CB C 82 39.618 37.452 2.166 1 1 943 . 3 1 1 A 82 82 ILE N N 82 125.550 128.643 -3.093 1 1 944 . 3 1 1 A 83 83 SER H H 83 7.731 9.095 -1.364 1 1 945 . 3 1 1 A 83 83 SER HA H 83 4.909 5.088 -0.179 1 1 948 . 3 1 1 A 83 83 SER C C 83 173.182 174.448 -1.266 1 1 949 . 3 1 1 A 83 83 SER CA C 83 57.034 57.379 -0.345 1 1 950 . 3 1 1 A 83 83 SER CB C 83 68.054 66.008 2.046 1 1 951 . 3 1 1 A 83 83 SER N N 83 117.171 123.830 -6.659 1 1 952 . 3 1 1 A 84 84 ALA H H 84 9.548 8.610 0.938 1 1 953 . 3 1 1 A 84 84 ALA HA H 84 4.177 4.510 -0.333 1 1 957 . 3 1 1 A 84 84 ALA C C 84 175.290 178.094 -2.804 1 1 958 . 3 1 1 A 84 84 ALA CA C 84 51.922 51.930 -0.008 1 1 959 . 3 1 1 A 84 84 ALA CB C 84 19.111 20.307 -1.196 1 1 960 . 3 1 1 A 84 84 ALA N N 84 120.651 125.017 -4.366 1 1 961 . 3 1 1 A 85 85 ASP H H 85 7.739 8.819 -1.080 1 1 962 . 3 1 1 A 85 85 ASP HA H 85 4.380 4.332 0.048 1 1 965 . 3 1 1 A 85 85 ASP C C 85 175.591 176.597 -1.006 1 1 966 . 3 1 1 A 85 85 ASP CA C 85 55.136 56.686 -1.550 1 1 967 . 3 1 1 A 85 85 ASP CB C 85 43.011 40.613 2.398 1 1 968 . 3 1 1 A 85 85 ASP N N 85 114.721 119.892 -5.171 1 1 969 . 3 1 1 A 86 86 LEU H H 86 8.475 7.351 1.124 1 1 970 . 3 1 1 A 86 86 LEU HA H 86 3.956 3.908 0.048 1 1 980 . 3 1 1 A 86 86 LEU CA C 86 54.656 53.365 1.291 1 1 981 . 3 1 1 A 86 86 LEU CB C 86 39.380 41.783 -2.403 1 1 985 . 3 1 1 A 87 87 PRO HA H 87 4.225 4.389 -0.164 1 1 992 . 3 1 1 A 87 87 PRO CA C 87 65.046 63.439 1.607 1 1 993 . 3 1 1 A 87 87 PRO CB C 87 32.264 32.880 -0.616 1 1 996 . 3 1 1 A 88 88 PHE H H 88 5.565 7.895 -2.330 1 1 997 . 3 1 1 A 88 88 PHE HA H 88 4.340 4.392 -0.052 1 1 1000 . 3 1 1 A 88 88 PHE CA C 88 57.664 60.809 -3.145 1 1 1001 . 3 1 1 A 88 88 PHE CB C 88 39.344 38.464 0.880 1 1 1002 . 3 1 1 A 88 88 PHE N N 88 110.725 119.368 -8.643 1 1 1003 . 3 1 1 A 89 89 ALA H H 89 7.381 7.736 -0.355 1 1 1004 . 3 1 1 A 89 89 ALA HA H 89 4.239 4.626 -0.387 1 1 1008 . 3 1 1 A 89 89 ALA CA C 89 52.009 51.040 0.969 1 1 1009 . 3 1 1 A 89 89 ALA CB C 89 19.761 20.072 -0.311 1 1 1010 . 3 1 1 A 89 89 ALA N N 89 114.850 119.714 -4.864 1 1 1011 . 3 1 1 A 90 90 GLN H H 90 7.231 7.778 -0.547 1 1 1012 . 3 1 1 A 90 90 GLN HA H 90 3.695 4.019 -0.324 1 1 1018 . 3 1 1 A 90 90 GLN CA C 90 59.578 58.706 0.872 1 1 1019 . 3 1 1 A 90 90 GLN CB C 90 28.728 28.755 -0.027 1 1 1022 . 3 1 1 A 91 91 ALA H H 91 7.741 8.289 -0.548 1 1 1023 . 3 1 1 A 91 91 ALA HA H 91 4.202 3.461 0.741 1 1 1027 . 3 1 1 A 91 91 ALA CA C 91 54.382 54.068 0.314 1 1 1028 . 3 1 1 A 91 91 ALA CB C 91 18.837 18.138 0.699 1 1 1029 . 3 1 1 A 91 91 ALA N N 91 118.589 121.577 -2.988 1 1 1030 . 3 1 1 A 92 92 ARG H H 92 7.354 7.994 -0.640 1 1 1031 . 3 1 1 A 92 92 ARG HA H 92 4.588 3.732 0.856 1 1 1038 . 3 1 1 A 92 92 ARG CA C 92 55.476 58.589 -3.113 1 1 1039 . 3 1 1 A 92 92 ARG CB C 92 30.048 29.770 0.278 1 1 1042 . 3 1 1 A 93 93 TRP H H 93 7.767 7.726 0.041 1 1 1043 . 3 1 1 A 93 93 TRP HA H 93 4.881 4.302 0.579 1 1 1050 . 3 1 1 A 93 93 TRP CA C 93 57.534 58.099 -0.565 1 1 1051 . 3 1 1 A 93 93 TRP CB C 93 29.501 26.947 2.554 1 1 1052 . 3 1 1 A 93 93 TRP N N 93 121.927 118.336 3.591 1 1 1054 . 3 1 1 A 94 94 CYS HA H 94 3.901 4.379 -0.478 1 1 1057 . 3 1 1 A 94 94 CYS CA C 94 59.577 59.072 0.505 1 1 1058 . 3 1 1 A 94 94 CYS CB C 94 43.446 42.232 1.214 1 1 1059 . 3 1 1 A 95 95 GLY HA2 H 95 5.122 3.986 1.136 1 1 1060 . 3 1 1 A 95 95 GLY HA3 H 95 3.691 4.006 -0.315 1 1 1061 . 3 1 1 A 95 95 GLY CA C 95 45.511 46.803 -1.292 1 1 1062 . 3 1 1 A 96 96 ALA H H 96 7.504 7.860 -0.356 1 1 1063 . 3 1 1 A 96 96 ALA HA H 96 4.412 4.458 -0.046 1 1 1067 . 3 1 1 A 96 96 ALA CA C 96 51.699 52.112 -0.413 1 1 1068 . 3 1 1 A 96 96 ALA CB C 96 21.025 20.260 0.765 1 1 1069 . 3 1 1 A 96 96 ALA N N 96 121.579 120.018 1.561 1 1 1070 . 3 1 1 A 97 97 ASN H H 97 7.345 7.923 -0.578 1 1 1071 . 3 1 1 A 97 97 ASN HA H 97 4.551 4.667 -0.116 1 1 1076 . 3 1 1 A 97 97 ASN CA C 97 54.929 53.514 1.415 1 1 1077 . 3 1 1 A 97 97 ASN CB C 97 39.071 38.494 0.577 1 1 1079 . 3 1 1 A 98 98 GLY H H 98 8.890 8.261 0.629 1 1 1080 . 3 1 1 A 98 98 GLY HA2 H 98 3.796 4.039 -0.243 1 1 1081 . 3 1 1 A 98 98 GLY HA3 H 98 4.070 4.046 0.024 1 1 1082 . 3 1 1 A 98 98 GLY C C 98 174.160 173.391 0.769 1 1 1083 . 3 1 1 A 98 98 GLY CA C 98 45.841 45.413 0.428 1 1 1084 . 3 1 1 A 99 99 ILE H H 99 7.739 7.520 0.219 1 1 1085 . 3 1 1 A 99 99 ILE HA H 99 4.198 4.560 -0.362 1 1 1095 . 3 1 1 A 99 99 ILE C C 99 175.561 175.573 -0.012 1 1 1096 . 3 1 1 A 99 99 ILE CA C 99 60.671 59.138 1.533 1 1 1097 . 3 1 1 A 99 99 ILE CB C 99 38.524 38.773 -0.249 1 1 1101 . 3 1 1 A 99 99 ILE N N 99 120.780 114.998 5.782 1 1 1102 . 3 1 1 A 100 100 ASP H H 100 8.372 8.725 -0.353 1 1 1103 . 3 1 1 A 100 100 ASP HA H 100 4.426 4.150 0.276 1 1 1106 . 3 1 1 A 100 100 ASP C C 100 176.325 177.698 -1.373 1 1 1107 . 3 1 1 A 100 100 ASP CA C 100 56.023 57.684 -1.661 1 1 1108 . 3 1 1 A 100 100 ASP CB C 100 40.985 40.712 0.273 1 1 1109 . 3 1 1 A 100 100 ASP N N 100 126.194 125.591 0.603 1 1 1110 . 3 1 1 A 101 101 LYS H H 101 8.081 8.173 -0.092 1 1 1111 . 3 1 1 A 101 101 LYS HA H 101 4.052 4.115 -0.063 1 1 1120 . 3 1 1 A 101 101 LYS C C 101 175.874 176.962 -1.088 1 1 1121 . 3 1 1 A 101 101 LYS CA C 101 58.210 58.421 -0.211 1 1 1122 . 3 1 1 A 101 101 LYS CB C 101 31.689 31.888 -0.199 1 1 1126 . 3 1 1 A 101 101 LYS N N 101 115.366 116.801 -1.435 1 1 1127 . 3 1 1 A 102 102 VAL H H 102 7.631 7.377 0.254 1 1 1128 . 3 1 1 A 102 102 VAL HA H 102 4.419 4.123 0.296 1 1 1136 . 3 1 1 A 102 102 VAL C C 102 175.145 175.425 -0.280 1 1 1137 . 3 1 1 A 102 102 VAL CA C 102 61.919 63.306 -1.387 1 1 1138 . 3 1 1 A 102 102 VAL CB C 102 32.782 32.429 0.353 1 1 1141 . 3 1 1 A 102 102 VAL N N 102 119.362 121.854 -2.492 1 1 1142 . 3 1 1 A 103 103 GLU H H 103 8.489 8.817 -0.328 1 1 1143 . 3 1 1 A 103 103 GLU HA H 103 4.931 5.046 -0.115 1 1 1148 . 3 1 1 A 103 103 GLU C C 103 175.943 174.880 1.063 1 1 1149 . 3 1 1 A 103 103 GLU CA C 103 55.140 54.644 0.496 1 1 1150 . 3 1 1 A 103 103 GLU CB C 103 33.329 33.512 -0.183 1 1 1152 . 3 1 1 A 103 103 GLU N N 103 126.581 125.499 1.082 1 1 1153 . 3 1 1 A 104 104 THR H H 104 8.690 8.661 0.029 1 1 1154 . 3 1 1 A 104 104 THR HA H 104 5.292 5.158 0.134 1 1 1159 . 3 1 1 A 104 104 THR C C 104 173.165 173.920 -0.755 1 1 1160 . 3 1 1 A 104 104 THR CA C 104 58.757 62.827 -4.070 1 1 1161 . 3 1 1 A 104 104 THR CB C 104 69.967 70.308 -0.341 1 1 1163 . 3 1 1 A 104 104 THR N N 104 114.979 122.540 -7.561 1 1 1164 . 3 1 1 A 105 105 LEU H H 105 8.635 9.261 -0.626 1 1 1165 . 3 1 1 A 105 105 LEU HA H 105 4.979 5.025 -0.046 1 1 1175 . 3 1 1 A 105 105 LEU C C 105 176.985 176.153 0.832 1 1 1176 . 3 1 1 A 105 105 LEU CA C 105 52.849 53.277 -0.428 1 1 1177 . 3 1 1 A 105 105 LEU CB C 105 45.633 45.617 0.016 1 1 1181 . 3 1 1 A 105 105 LEU N N 105 119.233 126.260 -7.027 1 1 1182 . 3 1 1 A 106 106 SER H H 106 9.670 9.175 0.495 1 1 1183 . 3 1 1 A 106 106 SER HA H 106 5.485 5.002 0.483 1 1 1186 . 3 1 1 A 106 106 SER C C 106 176.256 174.713 1.543 1 1 1187 . 3 1 1 A 106 106 SER CA C 106 56.570 57.008 -0.438 1 1 1188 . 3 1 1 A 106 106 SER CB C 106 65.593 64.234 1.359 1 1 1189 . 3 1 1 A 106 106 SER N N 106 114.979 116.813 -1.834 1 1 1190 . 3 1 1 A 107 107 ASP H H 107 8.764 7.946 0.818 1 1 1191 . 3 1 1 A 107 107 ASP HA H 107 5.517 4.125 1.392 1 1 1194 . 3 1 1 A 107 107 ASP CA C 107 52.753 57.716 -4.963 1 1 1195 . 3 1 1 A 107 107 ASP CB C 107 45.086 41.315 3.771 1 1 1196 . 3 1 1 A 107 107 ASP N N 107 132.898 122.946 9.952 1 1 1197 . 3 1 1 A 108 108 HIS H H 108 7.940 8.189 -0.249 1 1 1198 . 3 1 1 A 108 108 HIS HA H 108 4.075 4.049 0.026 1 1 1200 . 3 1 1 A 108 108 HIS CA C 108 59.577 59.191 0.386 1 1 1201 . 3 1 1 A 108 108 HIS CB C 108 29.861 30.109 -0.248 1 1 1202 . 3 1 1 A 108 108 HIS N N 108 116.397 118.914 -2.517 1 1 1203 . 3 1 1 A 109 109 ARG HA H 109 4.214 4.125 0.089 1 1 1206 . 3 1 1 A 109 109 ARG CA C 109 59.031 58.188 0.843 1 1 1207 . 3 1 1 A 109 109 ARG CB C 109 27.861 29.876 -2.015 1 1 1208 . 3 1 1 A 110 110 ASP HA H 110 4.867 4.912 -0.045 1 1 1211 . 3 1 1 A 110 110 ASP C C 110 175.735 175.994 -0.259 1 1 1212 . 3 1 1 A 110 110 ASP CA C 110 53.708 55.469 -1.761 1 1 1213 . 3 1 1 A 110 110 ASP CB C 110 43.875 43.761 0.114 1 1 1214 . 3 1 1 A 111 111 MET H H 111 7.899 8.615 -0.716 1 1 1215 . 3 1 1 A 111 111 MET HA H 111 4.503 3.990 0.513 1 1 1221 . 3 1 1 A 111 111 MET C C 111 177.332 176.464 0.868 1 1 1222 . 3 1 1 A 111 111 MET CA C 111 56.570 56.642 -0.072 1 1 1223 . 3 1 1 A 111 111 MET CB C 111 30.868 32.146 -1.278 1 1 1226 . 3 1 1 A 111 111 MET N N 111 116.397 118.528 -2.131 1 1 1227 . 3 1 1 A 112 112 SER H H 112 7.931 8.195 -0.264 1 1 1228 . 3 1 1 A 112 112 SER HA H 112 4.248 4.159 0.089 1 1 1231 . 3 1 1 A 112 112 SER C C 112 179.173 176.029 3.144 1 1 1232 . 3 1 1 A 112 112 SER CA C 112 60.945 62.400 -1.455 1 1 1233 . 3 1 1 A 112 112 SER CB C 112 64.499 63.251 1.248 1 1 1234 . 3 1 1 A 112 112 SER N N 112 113.561 116.205 -2.644 1 1 1235 . 3 1 1 A 113 113 PHE H H 113 10.125 7.505 2.620 1 1 1236 . 3 1 1 A 113 113 PHE HA H 113 3.593 3.984 -0.391 1 1 1241 . 3 1 1 A 113 113 PHE C C 113 177.437 177.748 -0.311 1 1 1242 . 3 1 1 A 113 113 PHE CA C 113 62.312 61.274 1.038 1 1 1243 . 3 1 1 A 113 113 PHE CB C 113 37.704 38.321 -0.617 1 1 1244 . 3 1 1 A 113 113 PHE N N 113 125.550 122.661 2.889 1 1 1245 . 3 1 1 A 114 114 GLY H H 114 10.707 8.775 1.932 1 1 1246 . 3 1 1 A 114 114 GLY HA2 H 114 3.396 3.612 -0.216 1 1 1247 . 3 1 1 A 114 114 GLY HA3 H 114 3.218 3.706 -0.488 1 1 1248 . 3 1 1 A 114 114 GLY C C 114 175.735 175.968 -0.233 1 1 1249 . 3 1 1 A 114 114 GLY CA C 114 48.641 47.226 1.415 1 1 1250 . 3 1 1 A 114 114 GLY N N 114 109.178 105.964 3.214 1 1 1251 . 3 1 1 A 115 115 GLU H H 115 8.251 8.109 0.142 1 1 1252 . 3 1 1 A 115 115 GLU HA H 115 4.431 4.107 0.324 1 1 1257 . 3 1 1 A 115 115 GLU C C 115 178.756 179.499 -0.743 1 1 1258 . 3 1 1 A 115 115 GLU CA C 115 59.031 60.392 -1.361 1 1 1259 . 3 1 1 A 115 115 GLU CB C 115 29.775 28.718 1.057 1 1 1261 . 3 1 1 A 115 115 GLU N N 115 120.522 121.594 -1.072 1 1 1262 . 3 1 1 A 116 116 ALA H H 116 7.895 8.230 -0.335 1 1 1263 . 3 1 1 A 116 116 ALA HA H 116 4.111 4.110 0.001 1 1 1267 . 3 1 1 A 116 116 ALA C C 116 177.610 179.158 -1.548 1 1 1268 . 3 1 1 A 116 116 ALA CA C 116 55.476 54.938 0.538 1 1 1269 . 3 1 1 A 116 116 ALA CB C 116 18.838 18.522 0.316 1 1 1270 . 3 1 1 A 116 116 ALA N N 116 123.100 122.369 0.731 1 1 1271 . 3 1 1 A 117 117 PHE H H 117 8.161 7.801 0.360 1 1 1272 . 3 1 1 A 117 117 PHE HA H 117 4.262 4.381 -0.119 1 1 1277 . 3 1 1 A 117 117 PHE C C 117 175.353 175.716 -0.363 1 1 1278 . 3 1 1 A 117 117 PHE CA C 117 56.843 57.319 -0.476 1 1 1279 . 3 1 1 A 117 117 PHE CB C 117 38.251 38.339 -0.088 1 1 1280 . 3 1 1 A 117 117 PHE N N 117 113.432 112.753 0.679 1 1 1281 . 3 1 1 A 118 118 GLY H H 118 7.685 7.762 -0.077 1 1 1282 . 3 1 1 A 118 118 GLY HA2 H 118 3.544 3.948 -0.404 1 1 1283 . 3 1 1 A 118 118 GLY HA3 H 118 4.362 3.965 0.397 1 1 1284 . 3 1 1 A 118 118 GLY C C 118 174.901 175.410 -0.509 1 1 1285 . 3 1 1 A 118 118 GLY CA C 118 47.274 46.509 0.765 1 1 1286 . 3 1 1 A 118 118 GLY N N 118 112.143 108.170 3.973 1 1 1287 . 3 1 1 A 119 119 VAL H H 119 8.380 8.148 0.232 1 1 1288 . 3 1 1 A 119 119 VAL HA H 119 4.788 4.276 0.512 1 1 1296 . 3 1 1 A 119 119 VAL C C 119 174.901 176.110 -1.209 1 1 1297 . 3 1 1 A 119 119 VAL CA C 119 59.532 65.236 -5.704 1 1 1298 . 3 1 1 A 119 119 VAL CB C 119 32.509 31.505 1.004 1 1 1301 . 3 1 1 A 119 119 VAL N N 119 102.475 119.742 -17.267 1 1 1302 . 3 1 1 A 120 120 TYR H H 120 6.841 7.686 -0.845 1 1 1303 . 3 1 1 A 120 120 TYR HA H 120 4.484 4.390 0.094 1 1 1308 . 3 1 1 A 120 120 TYR C C 120 173.443 175.140 -1.697 1 1 1309 . 3 1 1 A 120 120 TYR CA C 120 54.929 59.894 -4.965 1 1 1310 . 3 1 1 A 120 120 TYR CB C 120 37.704 38.857 -1.153 1 1 1311 . 3 1 1 A 120 120 TYR N N 120 124.518 124.418 0.100 1 1 1312 . 3 1 1 A 121 121 ILE H H 121 9.244 9.494 -0.250 1 1 1313 . 3 1 1 A 121 121 ILE HA H 121 4.419 4.181 0.238 1 1 1323 . 3 1 1 A 121 121 ILE C C 121 176.221 176.329 -0.108 1 1 1324 . 3 1 1 A 121 121 ILE CA C 121 62.014 60.882 1.132 1 1 1325 . 3 1 1 A 121 121 ILE CB C 121 37.704 37.525 0.179 1 1 1329 . 3 1 1 A 121 121 ILE N N 121 128.772 128.270 0.502 1 1 1330 . 3 1 1 A 122 122 LYS H H 122 9.328 9.023 0.305 1 1 1331 . 3 1 1 A 122 122 LYS HA H 122 3.588 3.537 0.051 1 1 1340 . 3 1 1 A 122 122 LYS C C 122 179.069 177.681 1.388 1 1 1341 . 3 1 1 A 122 122 LYS CA C 122 60.124 59.953 0.171 1 1 1342 . 3 1 1 A 122 122 LYS CB C 122 33.329 32.090 1.239 1 1 1346 . 3 1 1 A 122 122 LYS N N 122 134.955 130.132 4.823 1 1 1347 . 3 1 1 A 123 123 GLU H H 123 10.228 7.909 2.319 1 1 1348 . 3 1 1 A 123 123 GLU HA H 123 3.919 4.086 -0.167 1 1 1353 . 3 1 1 A 123 123 GLU C C 123 176.638 178.678 -2.040 1 1 1354 . 3 1 1 A 123 123 GLU CA C 123 61.218 58.662 2.556 1 1 1355 . 3 1 1 A 123 123 GLU CB C 123 29.228 29.621 -0.393 1 1 1357 . 3 1 1 A 123 123 GLU N N 123 115.624 118.857 -3.233 1 1 1358 . 3 1 1 A 124 124 LEU H H 124 6.480 7.878 -1.398 1 1 1359 . 3 1 1 A 124 124 LEU HA H 124 4.464 4.044 0.420 1 1 1369 . 3 1 1 A 124 124 LEU C C 124 175.403 176.439 -1.036 1 1 1370 . 3 1 1 A 124 124 LEU CA C 124 53.562 56.923 -3.361 1 1 1371 . 3 1 1 A 124 124 LEU CB C 124 44.813 42.241 2.572 1 1 1375 . 3 1 1 A 124 124 LEU N N 124 110.434 120.698 -10.264 1 1 1376 . 3 1 1 A 125 125 ARG H H 125 8.701 7.745 0.956 1 1 1377 . 3 1 1 A 125 125 ARG HA H 125 3.783 4.194 -0.411 1 1 1380 . 3 1 1 A 125 125 ARG C C 125 173.029 174.780 -1.751 1 1 1381 . 3 1 1 A 125 125 ARG CA C 125 57.664 57.176 0.488 1 1 1382 . 3 1 1 A 125 125 ARG CB C 125 30.965 28.968 1.997 1 1 1383 . 3 1 1 A 125 125 ARG N N 125 121.940 119.253 2.687 1 1 1384 . 3 1 1 A 126 126 LEU H H 126 6.671 7.552 -0.881 1 1 1385 . 3 1 1 A 126 126 LEU HA H 126 4.621 5.134 -0.513 1 1 1395 . 3 1 1 A 126 126 LEU C C 126 174.203 175.742 -1.539 1 1 1396 . 3 1 1 A 126 126 LEU CA C 126 51.922 53.184 -1.262 1 1 1397 . 3 1 1 A 126 126 LEU CB C 126 46.727 45.733 0.994 1 1 1401 . 3 1 1 A 126 126 LEU N N 126 111.885 118.829 -6.944 1 1 1402 . 3 1 1 A 127 127 LEU H H 127 8.447 8.717 -0.270 1 1 1403 . 3 1 1 A 127 127 LEU HA H 127 5.153 5.359 -0.206 1 1 1413 . 3 1 1 A 127 127 LEU C C 127 175.145 175.973 -0.828 1 1 1414 . 3 1 1 A 127 127 LEU CA C 127 52.742 52.922 -0.180 1 1 1415 . 3 1 1 A 127 127 LEU CB C 127 43.172 44.976 -1.804 1 1 1419 . 3 1 1 A 127 127 LEU N N 127 118.983 117.840 1.143 1 1 1420 . 3 1 1 A 128 128 ALA H H 128 9.160 9.126 0.034 1 1 1421 . 3 1 1 A 128 128 ALA HA H 128 3.843 4.476 -0.633 1 1 1425 . 3 1 1 A 128 128 ALA C C 128 176.603 177.136 -0.533 1 1 1426 . 3 1 1 A 128 128 ALA CA C 128 52.469 52.321 0.148 1 1 1427 . 3 1 1 A 128 128 ALA CB C 128 18.291 19.534 -1.243 1 1 1428 . 3 1 1 A 128 128 ALA N N 128 121.682 123.743 -2.061 1 1 1429 . 3 1 1 A 129 129 ARG H H 129 6.254 8.726 -2.472 1 1 1430 . 3 1 1 A 129 129 ARG HA H 129 4.700 4.540 0.160 1 1 1436 . 3 1 1 A 129 129 ARG C C 129 176.534 175.708 0.826 1 1 1437 . 3 1 1 A 129 129 ARG CA C 129 55.651 56.865 -1.214 1 1 1438 . 3 1 1 A 129 129 ARG CB C 129 29.775 30.659 -0.884 1 1 1441 . 3 1 1 A 129 129 ARG N N 129 120.393 124.116 -3.723 1 1 1442 . 3 1 1 A 130 130 SER H H 130 8.398 8.172 0.226 1 1 1443 . 3 1 1 A 130 130 SER HA H 130 4.767 4.854 -0.087 1 1 1446 . 3 1 1 A 130 130 SER C C 130 172.957 172.401 0.556 1 1 1447 . 3 1 1 A 130 130 SER CA C 130 57.658 57.120 0.538 1 1 1448 . 3 1 1 A 130 130 SER CB C 130 63.679 66.027 -2.348 1 1 1449 . 3 1 1 A 130 130 SER N N 130 120.264 119.017 1.247 1 1 1450 . 3 1 1 A 131 131 VAL H H 131 7.838 8.095 -0.257 1 1 1451 . 3 1 1 A 131 131 VAL HA H 131 5.086 5.018 0.068 1 1 1459 . 3 1 1 A 131 131 VAL C C 131 172.853 173.939 -1.086 1 1 1460 . 3 1 1 A 131 131 VAL CA C 131 60.746 59.327 1.419 1 1 1461 . 3 1 1 A 131 131 VAL CB C 131 36.610 35.810 0.800 1 1 1464 . 3 1 1 A 131 131 VAL N N 131 118.460 114.529 3.931 1 1 1465 . 3 1 1 A 132 132 PHE H H 132 9.259 9.389 -0.130 1 1 1466 . 3 1 1 A 132 132 PHE HA H 132 5.583 5.563 0.020 1 1 1470 . 3 1 1 A 132 132 PHE C C 132 174.797 174.896 -0.099 1 1 1471 . 3 1 1 A 132 132 PHE CA C 132 56.296 56.266 0.030 1 1 1472 . 3 1 1 A 132 132 PHE CB C 132 44.539 43.837 0.702 1 1 1473 . 3 1 1 A 132 132 PHE N N 132 121.682 120.927 0.755 1 1 1474 . 3 1 1 A 133 133 VAL H H 133 8.907 8.702 0.205 1 1 1475 . 3 1 1 A 133 133 VAL HA H 133 5.331 5.193 0.138 1 1 1483 . 3 1 1 A 133 133 VAL C C 133 174.450 175.141 -0.691 1 1 1484 . 3 1 1 A 133 133 VAL CA C 133 61.491 60.571 0.920 1 1 1485 . 3 1 1 A 133 133 VAL CB C 133 34.696 35.906 -1.210 1 1 1488 . 3 1 1 A 133 133 VAL N N 133 119.878 120.279 -0.401 1 1 1489 . 3 1 1 A 134 134 LEU H H 134 9.976 9.240 0.736 1 1 1490 . 3 1 1 A 134 134 LEU HA H 134 5.680 5.342 0.338 1 1 1500 . 3 1 1 A 134 134 LEU C C 134 176.777 175.203 1.574 1 1 1501 . 3 1 1 A 134 134 LEU CA C 134 52.195 53.619 -1.424 1 1 1502 . 3 1 1 A 134 134 LEU CB C 134 44.813 45.728 -0.915 1 1 1506 . 3 1 1 A 134 134 LEU N N 134 129.417 126.607 2.810 1 1 1507 . 3 1 1 A 135 135 ASP H H 135 9.051 9.143 -0.092 1 1 1508 . 3 1 1 A 135 135 ASP HA H 135 4.708 4.726 -0.018 1 1 1511 . 3 1 1 A 135 135 ASP C C 135 177.193 177.330 -0.137 1 1 1512 . 3 1 1 A 135 135 ASP CA C 135 52.276 53.805 -1.529 1 1 1513 . 3 1 1 A 135 135 ASP CB C 135 40.711 42.184 -1.473 1 1 1514 . 3 1 1 A 135 135 ASP N N 135 119.362 124.580 -5.218 1 1 1515 . 3 1 1 A 136 136 GLU H H 136 9.970 8.912 1.058 1 1 1516 . 3 1 1 A 136 136 GLU HA H 136 3.953 4.144 -0.191 1 1 1521 . 3 1 1 A 136 136 GLU C C 136 177.055 177.897 -0.842 1 1 1522 . 3 1 1 A 136 136 GLU CA C 136 58.757 59.421 -0.664 1 1 1523 . 3 1 1 A 136 136 GLU CB C 136 28.681 29.322 -0.641 1 1 1525 . 3 1 1 A 136 136 GLU N N 136 116.011 124.126 -8.115 1 1 1526 . 3 1 1 A 137 137 ASN H H 137 8.514 8.376 0.138 1 1 1527 . 3 1 1 A 137 137 ASN HA H 137 5.026 4.623 0.403 1 1 1532 . 3 1 1 A 137 137 ASN C C 137 175.943 175.790 0.153 1 1 1533 . 3 1 1 A 137 137 ASN CA C 137 52.753 52.899 -0.146 1 1 1534 . 3 1 1 A 137 137 ASN CB C 137 40.164 37.854 2.310 1 1 1535 . 3 1 1 A 137 137 ASN N N 137 117.042 114.631 2.411 1 1 1537 . 3 1 1 A 138 138 GLY H H 138 8.430 8.370 0.060 1 1 1538 . 3 1 1 A 138 138 GLY HA2 H 138 3.690 3.992 -0.302 1 1 1539 . 3 1 1 A 138 138 GLY HA3 H 138 4.213 4.033 0.180 1 1 1540 . 3 1 1 A 138 138 GLY C C 138 172.436 174.531 -2.095 1 1 1541 . 3 1 1 A 138 138 GLY CA C 138 46.180 45.136 1.044 1 1 1542 . 3 1 1 A 138 138 GLY N N 138 109.565 108.634 0.931 1 1 1543 . 3 1 1 A 139 139 LYS H H 139 8.573 8.026 0.547 1 1 1544 . 3 1 1 A 139 139 LYS HA H 139 4.472 4.295 0.177 1 1 1553 . 3 1 1 A 139 139 LYS C C 139 176.742 175.865 0.877 1 1 1554 . 3 1 1 A 139 139 LYS CA C 139 56.195 56.427 -0.232 1 1 1555 . 3 1 1 A 139 139 LYS CB C 139 32.782 33.417 -0.635 1 1 1559 . 3 1 1 A 139 139 LYS N N 139 123.358 122.436 0.922 1 1 1560 . 3 1 1 A 140 140 VAL H H 140 9.102 8.608 0.494 1 1 1561 . 3 1 1 A 140 140 VAL HA H 140 4.293 4.365 -0.072 1 1 1569 . 3 1 1 A 140 140 VAL C C 140 177.124 175.920 1.204 1 1 1570 . 3 1 1 A 140 140 VAL CA C 140 63.952 61.882 2.070 1 1 1571 . 3 1 1 A 140 140 VAL CB C 140 31.142 32.634 -1.492 1 1 1574 . 3 1 1 A 140 140 VAL N N 140 125.292 123.691 1.601 1 1 1575 . 3 1 1 A 141 141 VAL H H 141 9.332 9.564 -0.232 1 1 1576 . 3 1 1 A 141 141 VAL HA H 141 4.670 4.435 0.235 1 1 1584 . 3 1 1 A 141 141 VAL C C 141 175.249 175.591 -0.342 1 1 1585 . 3 1 1 A 141 141 VAL CA C 141 61.491 63.437 -1.946 1 1 1586 . 3 1 1 A 141 141 VAL CB C 141 32.509 33.527 -1.018 1 1 1589 . 3 1 1 A 141 141 VAL N N 141 124.261 124.160 0.101 1 1 1590 . 3 1 1 A 142 142 TYR H H 142 7.959 7.764 0.195 1 1 1591 . 3 1 1 A 142 142 TYR HA H 142 4.389 4.863 -0.474 1 1 1596 . 3 1 1 A 142 142 TYR C C 142 172.262 173.585 -1.323 1 1 1597 . 3 1 1 A 142 142 TYR CA C 142 58.757 57.750 1.007 1 1 1598 . 3 1 1 A 142 142 TYR CB C 142 41.805 41.842 -0.037 1 1 1599 . 3 1 1 A 142 142 TYR N N 142 122.198 120.961 1.237 1 1 1600 . 3 1 1 A 143 143 ALA H H 143 7.642 8.005 -0.363 1 1 1601 . 3 1 1 A 143 143 ALA HA H 143 4.883 5.196 -0.313 1 1 1605 . 3 1 1 A 143 143 ALA C C 143 175.353 175.371 -0.018 1 1 1606 . 3 1 1 A 143 143 ALA CA C 143 51.703 51.539 0.164 1 1 1607 . 3 1 1 A 143 143 ALA CB C 143 22.666 22.708 -0.042 1 1 1608 . 3 1 1 A 143 143 ALA N N 143 129.804 129.335 0.469 1 1 1609 . 3 1 1 A 144 144 GLU H H 144 8.292 8.297 -0.005 1 1 1610 . 3 1 1 A 144 144 GLU HA H 144 4.297 4.840 -0.543 1 1 1615 . 3 1 1 A 144 144 GLU C C 144 173.860 173.679 0.181 1 1 1616 . 3 1 1 A 144 144 GLU CA C 144 56.296 55.456 0.840 1 1 1617 . 3 1 1 A 144 144 GLU CB C 144 32.509 33.812 -1.303 1 1 1619 . 3 1 1 A 144 144 GLU N N 144 122.198 121.572 0.626 1 1 1620 . 3 1 1 A 145 145 TYR H H 145 9.006 8.965 0.041 1 1 1621 . 3 1 1 A 145 145 TYR HA H 145 4.125 5.088 -0.963 1 1 1626 . 3 1 1 A 145 145 TYR C C 145 175.164 175.146 0.018 1 1 1627 . 3 1 1 A 145 145 TYR CA C 145 57.117 56.770 0.347 1 1 1628 . 3 1 1 A 145 145 TYR CB C 145 38.251 40.819 -2.568 1 1 1629 . 3 1 1 A 145 145 TYR N N 145 128.128 124.155 3.973 1 1 1630 . 3 1 1 A 146 146 VAL H H 146 7.441 8.803 -1.362 1 1 1631 . 3 1 1 A 146 146 VAL HA H 146 3.672 4.031 -0.359 1 1 1639 . 3 1 1 A 146 146 VAL C C 146 176.777 176.541 0.236 1 1 1640 . 3 1 1 A 146 146 VAL CA C 146 64.226 63.688 0.538 1 1 1641 . 3 1 1 A 146 146 VAL CB C 146 30.868 32.160 -1.292 1 1 1644 . 3 1 1 A 146 146 VAL N N 146 125.808 126.448 -0.640 1 1 1645 . 3 1 1 A 147 147 SER H H 147 8.359 8.568 -0.209 1 1 1646 . 3 1 1 A 147 147 SER HA H 147 4.007 4.343 -0.336 1 1 1649 . 3 1 1 A 147 147 SER C C 147 172.123 174.639 -2.516 1 1 1650 . 3 1 1 A 147 147 SER CA C 147 63.132 60.979 2.153 1 1 1651 . 3 1 1 A 147 147 SER CB C 147 62.859 63.053 -0.194 1 1 1652 . 3 1 1 A 147 147 SER N N 147 121.425 121.008 0.417 1 1 1653 . 3 1 1 A 148 148 GLU H H 148 7.177 7.984 -0.807 1 1 1654 . 3 1 1 A 148 148 GLU HA H 148 5.055 4.839 0.216 1 1 1659 . 3 1 1 A 148 148 GLU C C 148 176.082 176.556 -0.474 1 1 1660 . 3 1 1 A 148 148 GLU CA C 148 52.563 55.386 -2.823 1 1 1661 . 3 1 1 A 148 148 GLU CB C 148 29.774 32.159 -2.385 1 1 1663 . 3 1 1 A 148 148 GLU N N 148 119.620 120.515 -0.895 1 1 1664 . 3 1 1 A 149 149 ALA H H 149 9.142 9.501 -0.359 1 1 1665 . 3 1 1 A 149 149 ALA HA H 149 4.704 4.079 0.625 1 1 1669 . 3 1 1 A 149 149 ALA C C 149 177.437 178.673 -1.236 1 1 1670 . 3 1 1 A 149 149 ALA CA C 149 54.466 55.234 -0.768 1 1 1671 . 3 1 1 A 149 149 ALA CB C 149 19.111 18.630 0.481 1 1 1672 . 3 1 1 A 149 149 ALA N N 149 127.741 129.959 -2.218 1 1 1673 . 3 1 1 A 150 150 THR H H 150 8.200 7.738 0.462 1 1 1674 . 3 1 1 A 150 150 THR HA H 150 4.393 4.359 0.034 1 1 1679 . 3 1 1 A 150 150 THR C C 150 174.554 173.478 1.076 1 1 1680 . 3 1 1 A 150 150 THR CA C 150 62.312 62.329 -0.017 1 1 1681 . 3 1 1 A 150 150 THR CB C 150 69.694 69.128 0.566 1 1 1683 . 3 1 1 A 150 150 THR N N 150 104.453 106.307 -1.854 1 1 1684 . 3 1 1 A 151 151 ASN H H 151 7.984 7.467 0.517 1 1 1685 . 3 1 1 A 151 151 ASN HA H 151 4.947 5.169 -0.222 1 1 1690 . 3 1 1 A 151 151 ASN C C 151 174.554 173.557 0.997 1 1 1691 . 3 1 1 A 151 151 ASN CA C 151 51.135 51.342 -0.207 1 1 1692 . 3 1 1 A 151 151 ASN CB C 151 39.344 41.890 -2.546 1 1 1693 . 3 1 1 A 151 151 ASN N N 151 123.487 120.832 2.655 1 1 1695 . 3 1 1 A 152 152 HIS H H 152 8.160 8.816 -0.656 1 1 1696 . 3 1 1 A 152 152 HIS HA H 152 4.731 5.362 -0.631 1 1 1700 . 3 1 1 A 152 152 HIS C C 152 174.381 172.707 1.674 1 1 1701 . 3 1 1 A 152 152 HIS CA C 152 54.854 53.463 1.391 1 1 1702 . 3 1 1 A 152 152 HIS CB C 152 31.415 32.469 -1.054 1 1 1703 . 3 1 1 A 152 152 HIS N N 152 116.139 116.514 -0.375 1 1 1704 . 3 1 1 A 153 153 PRO HA H 153 4.335 4.497 -0.162 1 1 1709 . 3 1 1 A 153 153 PRO C C 153 173.894 176.265 -2.371 1 1 1710 . 3 1 1 A 153 153 PRO CA C 153 61.491 62.132 -0.641 1 1 1711 . 3 1 1 A 153 153 PRO CB C 153 32.782 32.813 -0.031 1 1 1714 . 3 1 1 A 154 154 ASN H H 154 9.511 8.600 0.911 1 1 1715 . 3 1 1 A 154 154 ASN HA H 154 4.306 4.657 -0.351 1 1 1720 . 3 1 1 A 154 154 ASN C C 154 176.568 175.603 0.965 1 1 1721 . 3 1 1 A 154 154 ASN CA C 154 54.656 52.145 2.511 1 1 1722 . 3 1 1 A 154 154 ASN CB C 154 39.071 37.856 1.215 1 1 1723 . 3 1 1 A 154 154 ASN N N 154 118.718 119.553 -0.835 1 1 1725 . 3 1 1 A 155 155 TYR H H 155 8.691 7.786 0.905 1 1 1726 . 3 1 1 A 155 155 TYR HA H 155 4.364 4.225 0.139 1 1 1731 . 3 1 1 A 155 155 TYR C C 155 176.256 177.023 -0.767 1 1 1732 . 3 1 1 A 155 155 TYR CA C 155 59.304 59.254 0.050 1 1 1733 . 3 1 1 A 155 155 TYR CB C 155 39.344 37.378 1.966 1 1 1734 . 3 1 1 A 155 155 TYR N N 155 125.421 123.957 1.464 1 1 1735 . 3 1 1 A 156 156 GLU H H 156 8.200 8.236 -0.036 1 1 1736 . 3 1 1 A 156 156 GLU HA H 156 4.415 4.007 0.408 1 1 1741 . 3 1 1 A 156 156 GLU C C 156 178.583 178.454 0.129 1 1 1742 . 3 1 1 A 156 156 GLU CA C 156 58.757 59.372 -0.615 1 1 1743 . 3 1 1 A 156 156 GLU CB C 156 30.868 29.387 1.481 1 1 1745 . 3 1 1 A 156 156 GLU N N 156 119.878 120.673 -0.795 1 1 1746 . 3 1 1 A 157 157 LYS H H 157 8.718 7.746 0.972 1 1 1747 . 3 1 1 A 157 157 LYS HA H 157 4.095 4.056 0.039 1 1 1756 . 3 1 1 A 157 157 LYS C C 157 176.152 175.455 0.697 1 1 1757 . 3 1 1 A 157 157 LYS CA C 157 60.398 61.421 -1.023 1 1 1758 . 3 1 1 A 157 157 LYS CB C 157 30.595 30.793 -0.198 1 1 1762 . 3 1 1 A 157 157 LYS N N 157 121.167 119.130 2.037 1 1 1763 . 3 1 1 A 158 158 PRO HA H 158 3.116 3.599 -0.483 1 1 1770 . 3 1 1 A 158 158 PRO C C 158 177.853 179.313 -1.460 1 1 1771 . 3 1 1 A 158 158 PRO CA C 158 65.319 64.641 0.678 1 1 1772 . 3 1 1 A 158 158 PRO CB C 158 30.595 30.692 -0.097 1 1 1775 . 3 1 1 A 159 159 ILE H H 159 6.215 7.318 -1.103 1 1 1776 . 3 1 1 A 159 159 ILE HA H 159 3.594 3.875 -0.281 1 1 1786 . 3 1 1 A 159 159 ILE C C 159 177.610 177.626 -0.016 1 1 1787 . 3 1 1 A 159 159 ILE CA C 159 62.312 64.440 -2.128 1 1 1788 . 3 1 1 A 159 159 ILE CB C 159 35.516 37.989 -2.473 1 1 1792 . 3 1 1 A 159 159 ILE N N 159 113.948 116.718 -2.770 1 1 1793 . 3 1 1 A 160 160 GLU H H 160 7.572 8.745 -1.173 1 1 1794 . 3 1 1 A 160 160 GLU HA H 160 3.876 4.026 -0.150 1 1 1799 . 3 1 1 A 160 160 GLU C C 160 179.277 178.660 0.617 1 1 1800 . 3 1 1 A 160 160 GLU CA C 160 59.304 59.187 0.117 1 1 1801 . 3 1 1 A 160 160 GLU CB C 160 29.774 28.893 0.881 1 1 1803 . 3 1 1 A 160 160 GLU N N 160 119.104 119.924 -0.820 1 1 1804 . 3 1 1 A 161 161 ALA H H 161 7.902 7.757 0.145 1 1 1805 . 3 1 1 A 161 161 ALA HA H 161 4.137 4.207 -0.070 1 1 1809 . 3 1 1 A 161 161 ALA C C 161 179.485 179.990 -0.505 1 1 1810 . 3 1 1 A 161 161 ALA CA C 161 54.656 54.916 -0.260 1 1 1811 . 3 1 1 A 161 161 ALA CB C 161 18.017 17.974 0.043 1 1 1812 . 3 1 1 A 161 161 ALA N N 161 120.393 122.943 -2.550 1 1 1813 . 3 1 1 A 162 162 ALA H H 162 7.734 8.051 -0.317 1 1 1814 . 3 1 1 A 162 162 ALA HA H 162 3.950 4.097 -0.147 1 1 1818 . 3 1 1 A 162 162 ALA C C 162 179.485 179.499 -0.014 1 1 1819 . 3 1 1 A 162 162 ALA CA C 162 54.656 55.309 -0.653 1 1 1820 . 3 1 1 A 162 162 ALA CB C 162 19.111 18.251 0.860 1 1 1821 . 3 1 1 A 162 162 ALA N N 162 118.202 121.045 -2.843 1 1 1822 . 3 1 1 A 163 163 LYS H H 163 8.760 8.161 0.599 1 1 1823 . 3 1 1 A 163 163 LYS HA H 163 3.842 4.042 -0.200 1 1 1832 . 3 1 1 A 163 163 LYS C C 163 178.201 178.718 -0.517 1 1 1833 . 3 1 1 A 163 163 LYS CA C 163 59.578 58.959 0.619 1 1 1834 . 3 1 1 A 163 163 LYS CB C 163 32.782 31.883 0.899 1 1 1838 . 3 1 1 A 163 163 LYS N N 163 118.202 116.654 1.548 1 1 1839 . 3 1 1 A 164 164 ALA H H 164 7.216 8.151 -0.935 1 1 1840 . 3 1 1 A 164 164 ALA HA H 164 4.215 4.118 0.097 1 1 1844 . 3 1 1 A 164 164 ALA C C 164 178.339 180.406 -2.067 1 1 1845 . 3 1 1 A 164 164 ALA CA C 164 53.836 54.914 -1.078 1 1 1846 . 3 1 1 A 164 164 ALA CB C 164 18.291 18.389 -0.098 1 1 1847 . 3 1 1 A 164 164 ALA N N 164 117.557 121.832 -4.275 1 1 1848 . 3 1 1 A 165 165 LEU H H 165 7.503 8.010 -0.507 1 1 1849 . 3 1 1 A 165 165 LEU HA H 165 4.432 4.109 0.323 1 1 1859 . 3 1 1 A 165 165 LEU C C 165 177.714 179.090 -1.376 1 1 1860 . 3 1 1 A 165 165 LEU CA C 165 54.929 57.725 -2.796 1 1 1861 . 3 1 1 A 165 165 LEU CB C 165 44.256 42.139 2.117 1 1 1865 . 3 1 1 A 165 165 LEU N N 165 115.753 120.397 -4.644 1 1 1866 . 3 1 1 A 166 166 VAL H H 166 7.337 8.222 -0.885 1 1 1867 . 3 1 1 A 166 166 VAL HA H 166 4.103 3.574 0.529 1 1 1875 . 3 1 1 A 166 166 VAL C C 166 175.040 178.038 -2.998 1 1 1876 . 3 1 1 A 166 166 VAL CA C 166 62.859 66.630 -3.771 1 1 1877 . 3 1 1 A 166 166 VAL CB C 166 32.509 31.721 0.788 1 1 1880 . 3 1 1 A 166 166 VAL N N 166 118.589 117.926 0.663 1 1 1 . 4 1 1 A 2 2 ALA HA H 2 3.876 4.042 -0.166 1 1 5 . 4 1 1 A 2 2 ALA C C 2 172.590 176.075 -3.485 1 1 6 . 4 1 1 A 2 2 ALA CA C 2 51.922 51.611 0.311 1 1 7 . 4 1 1 A 2 2 ALA CB C 2 18.924 17.260 1.664 1 1 8 . 4 1 1 A 3 3 GLU H H 3 8.262 7.679 0.583 1 1 9 . 4 1 1 A 3 3 GLU HA H 3 4.641 5.011 -0.370 1 1 14 . 4 1 1 A 3 3 GLU C C 3 175.157 174.710 0.447 1 1 15 . 4 1 1 A 3 3 GLU CA C 3 55.476 55.495 -0.019 1 1 16 . 4 1 1 A 3 3 GLU CB C 3 31.142 33.385 -2.243 1 1 18 . 4 1 1 A 3 3 GLU N N 3 121.167 120.801 0.366 1 1 19 . 4 1 1 A 4 4 ILE H H 4 9.053 8.843 0.210 1 1 20 . 4 1 1 A 4 4 ILE HA H 4 5.361 5.095 0.266 1 1 30 . 4 1 1 A 4 4 ILE C C 4 175.817 174.694 1.123 1 1 31 . 4 1 1 A 4 4 ILE CA C 4 59.304 58.885 0.419 1 1 32 . 4 1 1 A 4 4 ILE CB C 4 42.079 42.675 -0.596 1 1 36 . 4 1 1 A 4 4 ILE N N 4 124.776 120.577 4.199 1 1 37 . 4 1 1 A 5 5 THR H H 5 8.977 8.329 0.648 1 1 38 . 4 1 1 A 5 5 THR HA H 5 5.141 5.385 -0.244 1 1 43 . 4 1 1 A 5 5 THR C C 5 173.483 173.182 0.301 1 1 44 . 4 1 1 A 5 5 THR CA C 5 59.304 61.162 -1.858 1 1 45 . 4 1 1 A 5 5 THR CB C 5 73.249 71.386 1.863 1 1 47 . 4 1 1 A 5 5 THR N N 5 112.659 115.937 -3.278 1 1 48 . 4 1 1 A 6 6 PHE H H 6 9.173 9.401 -0.228 1 1 49 . 4 1 1 A 6 6 PHE HA H 6 4.866 5.018 -0.152 1 1 53 . 4 1 1 A 6 6 PHE C C 6 175.591 174.721 0.870 1 1 54 . 4 1 1 A 6 6 PHE CA C 6 58.054 57.253 0.801 1 1 55 . 4 1 1 A 6 6 PHE CB C 6 42.625 42.224 0.401 1 1 56 . 4 1 1 A 6 6 PHE N N 6 119.362 125.282 -5.920 1 1 57 . 4 1 1 A 7 7 LYS H H 7 11.130 9.482 1.648 1 1 58 . 4 1 1 A 7 7 LYS HA H 7 3.567 3.785 -0.218 1 1 67 . 4 1 1 A 7 7 LYS C C 7 177.661 176.670 0.991 1 1 68 . 4 1 1 A 7 7 LYS CA C 7 57.390 57.088 0.302 1 1 69 . 4 1 1 A 7 7 LYS CB C 7 29.222 30.146 -0.924 1 1 73 . 4 1 1 A 7 7 LYS N N 7 134.058 127.919 6.139 1 1 74 . 4 1 1 A 8 8 GLY H H 8 8.965 8.736 0.229 1 1 75 . 4 1 1 A 8 8 GLY HA2 H 8 4.244 3.827 0.417 1 1 76 . 4 1 1 A 8 8 GLY HA3 H 8 3.528 3.830 -0.302 1 1 77 . 4 1 1 A 8 8 GLY C C 8 173.822 174.120 -0.298 1 1 78 . 4 1 1 A 8 8 GLY CA C 8 45.360 45.341 0.019 1 1 79 . 4 1 1 A 8 8 GLY N N 8 104.280 104.726 -0.446 1 1 80 . 4 1 1 A 9 9 GLY H H 9 7.942 8.225 -0.283 1 1 81 . 4 1 1 A 9 9 GLY HA2 H 9 4.815 4.253 0.562 1 1 82 . 4 1 1 A 9 9 GLY HA3 H 9 3.715 4.279 -0.564 1 1 83 . 4 1 1 A 9 9 GLY C C 9 171.262 173.204 -1.942 1 1 84 . 4 1 1 A 9 9 GLY CA C 9 43.172 44.786 -1.614 1 1 85 . 4 1 1 A 9 9 GLY N N 9 109.823 107.979 1.844 1 1 86 . 4 1 1 A 10 10 PRO HA H 10 4.640 4.728 -0.088 1 1 93 . 4 1 1 A 10 10 PRO C C 10 177.097 176.347 0.750 1 1 94 . 4 1 1 A 10 10 PRO CA C 10 63.952 63.122 0.830 1 1 95 . 4 1 1 A 10 10 PRO CB C 10 32.509 32.365 0.144 1 1 98 . 4 1 1 A 11 11 VAL H H 11 7.770 8.766 -0.996 1 1 99 . 4 1 1 A 11 11 VAL HA H 11 4.632 4.870 -0.238 1 1 107 . 4 1 1 A 11 11 VAL C C 11 174.462 174.314 0.148 1 1 108 . 4 1 1 A 11 11 VAL CA C 11 59.304 59.514 -0.210 1 1 109 . 4 1 1 A 11 11 VAL CB C 11 35.516 35.331 0.185 1 1 112 . 4 1 1 A 11 11 VAL N N 11 115.495 116.916 -1.421 1 1 113 . 4 1 1 A 12 12 THR H H 12 10.773 8.728 2.045 1 1 114 . 4 1 1 A 12 12 THR HA H 12 4.425 4.519 -0.094 1 1 119 . 4 1 1 A 12 12 THR C C 12 173.505 173.711 -0.206 1 1 120 . 4 1 1 A 12 12 THR CA C 12 62.312 62.112 0.200 1 1 121 . 4 1 1 A 12 12 THR CB C 12 69.694 69.755 -0.061 1 1 123 . 4 1 1 A 12 12 THR N N 12 121.940 121.461 0.479 1 1 124 . 4 1 1 A 13 13 LEU H H 13 8.524 8.372 0.152 1 1 125 . 4 1 1 A 13 13 LEU HA H 13 5.132 4.910 0.222 1 1 135 . 4 1 1 A 13 13 LEU C C 13 177.285 176.704 0.581 1 1 136 . 4 1 1 A 13 13 LEU CA C 13 53.289 53.163 0.126 1 1 137 . 4 1 1 A 13 13 LEU CB C 13 42.352 44.579 -2.227 1 1 141 . 4 1 1 A 13 13 LEU N N 13 125.550 124.361 1.189 1 1 142 . 4 1 1 A 14 14 VAL H H 14 8.962 8.788 0.174 1 1 143 . 4 1 1 A 14 14 VAL HA H 14 3.859 3.818 0.041 1 1 151 . 4 1 1 A 14 14 VAL C C 14 174.604 177.727 -3.123 1 1 152 . 4 1 1 A 14 14 VAL CA C 14 62.312 65.782 -3.470 1 1 153 . 4 1 1 A 14 14 VAL CB C 14 32.509 32.327 0.182 1 1 156 . 4 1 1 A 14 14 VAL N N 14 126.968 121.810 5.158 1 1 157 . 4 1 1 A 15 15 GLY H H 15 7.838 7.903 -0.065 1 1 158 . 4 1 1 A 15 15 GLY HA2 H 15 5.132 3.954 1.178 1 1 159 . 4 1 1 A 15 15 GLY HA3 H 15 3.730 3.964 -0.234 1 1 160 . 4 1 1 A 15 15 GLY C C 15 174.542 174.527 0.015 1 1 161 . 4 1 1 A 15 15 GLY CA C 15 43.446 45.255 -1.809 1 1 162 . 4 1 1 A 15 15 GLY N N 15 110.596 108.200 2.396 1 1 163 . 4 1 1 A 16 16 GLN H H 16 8.247 7.917 0.330 1 1 164 . 4 1 1 A 16 16 GLN HA H 16 4.347 4.107 0.240 1 1 171 . 4 1 1 A 16 16 GLN C C 16 174.876 174.520 0.356 1 1 172 . 4 1 1 A 16 16 GLN CA C 16 54.656 58.225 -3.569 1 1 173 . 4 1 1 A 16 16 GLN CB C 16 30.321 27.417 2.904 1 1 175 . 4 1 1 A 16 16 GLN N N 16 120.522 115.942 4.580 1 1 177 . 4 1 1 A 17 17 GLU H H 17 8.149 8.439 -0.290 1 1 178 . 4 1 1 A 17 17 GLU HA H 17 3.938 4.098 -0.160 1 1 183 . 4 1 1 A 17 17 GLU C C 17 176.607 175.696 0.911 1 1 184 . 4 1 1 A 17 17 GLU CA C 17 57.117 54.921 2.196 1 1 185 . 4 1 1 A 17 17 GLU CB C 17 30.321 30.506 -0.185 1 1 187 . 4 1 1 A 17 17 GLU N N 17 123.616 121.353 2.263 1 1 188 . 4 1 1 A 18 18 VAL H H 18 8.605 8.957 -0.352 1 1 189 . 4 1 1 A 18 18 VAL HA H 18 4.047 4.106 -0.059 1 1 197 . 4 1 1 A 18 18 VAL C C 18 174.386 175.932 -1.546 1 1 198 . 4 1 1 A 18 18 VAL CA C 18 61.765 63.299 -1.534 1 1 199 . 4 1 1 A 18 18 VAL CB C 18 32.782 32.195 0.587 1 1 202 . 4 1 1 A 18 18 VAL N N 18 125.936 126.861 -0.925 1 1 203 . 4 1 1 A 19 19 LYS H H 19 8.461 8.831 -0.370 1 1 204 . 4 1 1 A 19 19 LYS HA H 19 4.624 5.010 -0.386 1 1 213 . 4 1 1 A 19 19 LYS C C 19 176.457 175.354 1.103 1 1 214 . 4 1 1 A 19 19 LYS CA C 19 53.562 54.305 -0.743 1 1 215 . 4 1 1 A 19 19 LYS CB C 19 34.423 36.080 -1.657 1 1 219 . 4 1 1 A 19 19 LYS N N 19 123.874 122.705 1.169 1 1 220 . 4 1 1 A 20 20 VAL H H 20 8.349 8.590 -0.241 1 1 221 . 4 1 1 A 20 20 VAL HA H 20 3.421 3.565 -0.144 1 1 229 . 4 1 1 A 20 20 VAL C C 20 177.624 177.320 0.304 1 1 230 . 4 1 1 A 20 20 VAL CA C 20 65.593 66.138 -0.545 1 1 231 . 4 1 1 A 20 20 VAL CB C 20 31.415 31.505 -0.090 1 1 234 . 4 1 1 A 20 20 VAL N N 20 120.393 121.075 -0.682 1 1 235 . 4 1 1 A 21 21 GLY H H 21 9.338 9.384 -0.046 1 1 236 . 4 1 1 A 21 21 GLY HA2 H 21 4.566 4.047 0.519 1 1 237 . 4 1 1 A 21 21 GLY HA3 H 21 3.536 4.057 -0.521 1 1 238 . 4 1 1 A 21 21 GLY C C 21 174.160 174.484 -0.324 1 1 239 . 4 1 1 A 21 21 GLY CA C 21 44.539 45.613 -1.074 1 1 240 . 4 1 1 A 21 21 GLY N N 21 117.429 114.819 2.610 1 1 241 . 4 1 1 A 22 22 ASP H H 22 8.222 8.023 0.199 1 1 242 . 4 1 1 A 22 22 ASP HA H 22 4.650 4.594 0.056 1 1 245 . 4 1 1 A 22 22 ASP C C 22 176.231 175.772 0.459 1 1 246 . 4 1 1 A 22 22 ASP CA C 22 54.382 54.588 -0.206 1 1 247 . 4 1 1 A 22 22 ASP CB C 22 40.985 41.436 -0.451 1 1 248 . 4 1 1 A 22 22 ASP N N 22 121.811 121.533 0.278 1 1 249 . 4 1 1 A 23 23 GLN H H 23 8.598 8.032 0.566 1 1 250 . 4 1 1 A 23 23 GLN HA H 23 4.224 4.364 -0.140 1 1 257 . 4 1 1 A 23 23 GLN C C 23 175.892 174.500 1.392 1 1 258 . 4 1 1 A 23 23 GLN CA C 23 55.203 58.277 -3.074 1 1 259 . 4 1 1 A 23 23 GLN CB C 23 28.954 27.816 1.138 1 1 261 . 4 1 1 A 23 23 GLN N N 23 119.491 117.126 2.365 1 1 263 . 4 1 1 A 24 24 ALA H H 24 8.664 8.507 0.157 1 1 264 . 4 1 1 A 24 24 ALA HA H 24 4.030 4.860 -0.830 1 1 268 . 4 1 1 A 24 24 ALA C C 24 174.386 175.184 -0.798 1 1 269 . 4 1 1 A 24 24 ALA CA C 24 51.101 49.762 1.339 1 1 270 . 4 1 1 A 24 24 ALA CB C 24 19.111 22.455 -3.344 1 1 271 . 4 1 1 A 24 24 ALA N N 24 129.804 122.229 7.575 1 1 272 . 4 1 1 A 25 25 PRO HA H 25 4.422 4.682 -0.260 1 1 279 . 4 1 1 A 25 25 PRO C C 25 173.596 176.112 -2.516 1 1 280 . 4 1 1 A 25 25 PRO CA C 25 61.765 62.519 -0.754 1 1 281 . 4 1 1 A 25 25 PRO CB C 25 32.509 32.304 0.205 1 1 284 . 4 1 1 A 26 26 ASP H H 26 7.546 8.580 -1.034 1 1 285 . 4 1 1 A 26 26 ASP HA H 26 4.411 4.448 -0.037 1 1 288 . 4 1 1 A 26 26 ASP C C 26 175.591 175.221 0.370 1 1 289 . 4 1 1 A 26 26 ASP CA C 26 54.656 52.623 2.033 1 1 290 . 4 1 1 A 26 26 ASP CB C 26 42.625 39.002 3.623 1 1 291 . 4 1 1 A 26 26 ASP N N 26 114.979 121.355 -6.376 1 1 292 . 4 1 1 A 27 27 PHE H H 27 7.379 7.769 -0.390 1 1 293 . 4 1 1 A 27 27 PHE HA H 27 4.659 4.513 0.146 1 1 295 . 4 1 1 A 27 27 PHE C C 27 173.407 175.133 -1.726 1 1 296 . 4 1 1 A 27 27 PHE CA C 27 56.570 56.913 -0.343 1 1 297 . 4 1 1 A 27 27 PHE CB C 27 39.891 39.781 0.110 1 1 298 . 4 1 1 A 27 27 PHE N N 27 113.561 121.002 -7.441 1 1 299 . 4 1 1 A 28 28 THR H H 28 8.540 8.631 -0.091 1 1 300 . 4 1 1 A 28 28 THR HA H 28 4.936 5.496 -0.560 1 1 305 . 4 1 1 A 28 28 THR C C 28 173.443 173.864 -0.421 1 1 306 . 4 1 1 A 28 28 THR CA C 28 62.889 61.379 1.510 1 1 307 . 4 1 1 A 28 28 THR CB C 28 72.155 72.203 -0.048 1 1 309 . 4 1 1 A 28 28 THR N N 28 114.593 114.026 0.567 1 1 310 . 4 1 1 A 29 29 VAL H H 29 9.120 8.969 0.151 1 1 311 . 4 1 1 A 29 29 VAL HA H 29 4.863 4.824 0.039 1 1 319 . 4 1 1 A 29 29 VAL C C 29 173.558 173.252 0.306 1 1 320 . 4 1 1 A 29 29 VAL CA C 29 59.527 59.957 -0.430 1 1 321 . 4 1 1 A 29 29 VAL CB C 29 35.243 35.696 -0.453 1 1 324 . 4 1 1 A 29 29 VAL N N 29 119.233 121.331 -2.098 1 1 325 . 4 1 1 A 30 30 LEU H H 30 8.565 8.884 -0.319 1 1 326 . 4 1 1 A 30 30 LEU HA H 30 5.615 5.434 0.181 1 1 336 . 4 1 1 A 30 30 LEU C C 30 180.310 176.721 3.589 1 1 337 . 4 1 1 A 30 30 LEU CA C 30 53.562 53.198 0.364 1 1 338 . 4 1 1 A 30 30 LEU CB C 30 47.547 45.276 2.271 1 1 342 . 4 1 1 A 30 30 LEU N N 30 117.429 124.341 -6.912 1 1 343 . 4 1 1 A 31 31 THR H H 31 9.587 8.710 0.877 1 1 344 . 4 1 1 A 31 31 THR HA H 31 4.741 4.577 0.164 1 1 349 . 4 1 1 A 31 31 THR C C 31 176.457 175.669 0.788 1 1 350 . 4 1 1 A 31 31 THR CA C 31 60.632 60.605 0.027 1 1 351 . 4 1 1 A 31 31 THR CB C 31 71.451 71.389 0.062 1 1 353 . 4 1 1 A 31 31 THR N N 31 114.721 114.147 0.574 1 1 354 . 4 1 1 A 32 32 ASN H H 32 9.812 9.190 0.622 1 1 355 . 4 1 1 A 32 32 ASN HA H 32 4.352 4.465 -0.113 1 1 358 . 4 1 1 A 32 32 ASN C C 32 175.252 176.506 -1.254 1 1 359 . 4 1 1 A 32 32 ASN CA C 32 55.476 56.092 -0.616 1 1 360 . 4 1 1 A 32 32 ASN CB C 32 38.524 38.023 0.501 1 1 361 . 4 1 1 A 32 32 ASN N N 32 118.460 120.930 -2.470 1 1 362 . 4 1 1 A 33 33 SER H H 33 7.782 7.757 0.025 1 1 363 . 4 1 1 A 33 33 SER HA H 33 4.562 4.334 0.228 1 1 366 . 4 1 1 A 33 33 SER C C 33 173.822 174.355 -0.533 1 1 367 . 4 1 1 A 33 33 SER CA C 33 57.390 58.652 -1.262 1 1 368 . 4 1 1 A 33 33 SER CB C 33 62.859 63.497 -0.638 1 1 369 . 4 1 1 A 33 33 SER N N 33 110.725 111.628 -0.903 1 1 370 . 4 1 1 A 34 34 LEU H H 34 8.342 7.931 0.411 1 1 371 . 4 1 1 A 34 34 LEU HA H 34 3.686 3.781 -0.095 1 1 381 . 4 1 1 A 34 34 LEU C C 34 175.516 175.170 0.346 1 1 382 . 4 1 1 A 34 34 LEU CA C 34 57.117 56.277 0.840 1 1 383 . 4 1 1 A 34 34 LEU CB C 34 37.430 39.774 -2.344 1 1 387 . 4 1 1 A 34 34 LEU N N 34 116.913 118.280 -1.367 1 1 388 . 4 1 1 A 35 35 GLU H H 35 7.538 7.845 -0.307 1 1 389 . 4 1 1 A 35 35 GLU HA H 35 4.546 4.831 -0.285 1 1 394 . 4 1 1 A 35 35 GLU C C 35 176.005 175.774 0.231 1 1 395 . 4 1 1 A 35 35 GLU CA C 35 54.929 54.889 0.040 1 1 396 . 4 1 1 A 35 35 GLU CB C 35 30.868 32.075 -1.207 1 1 398 . 4 1 1 A 35 35 GLU N N 35 117.429 117.134 0.295 1 1 399 . 4 1 1 A 36 36 GLU H H 36 8.681 8.517 0.164 1 1 400 . 4 1 1 A 36 36 GLU HA H 36 4.740 4.495 0.245 1 1 405 . 4 1 1 A 36 36 GLU C C 36 176.833 176.034 0.799 1 1 406 . 4 1 1 A 36 36 GLU CA C 36 56.923 57.372 -0.449 1 1 407 . 4 1 1 A 36 36 GLU CB C 36 30.868 30.230 0.638 1 1 409 . 4 1 1 A 36 36 GLU N N 36 121.296 122.436 -1.140 1 1 410 . 4 1 1 A 37 37 LYS H H 37 9.122 8.666 0.456 1 1 411 . 4 1 1 A 37 37 LYS HA H 37 4.639 4.968 -0.329 1 1 420 . 4 1 1 A 37 37 LYS C C 37 173.671 174.515 -0.844 1 1 421 . 4 1 1 A 37 37 LYS CA C 37 55.476 55.340 0.136 1 1 422 . 4 1 1 A 37 37 LYS CB C 37 35.243 36.530 -1.287 1 1 426 . 4 1 1 A 37 37 LYS N N 37 125.292 123.131 2.161 1 1 427 . 4 1 1 A 38 38 SER H H 38 9.337 8.433 0.904 1 1 428 . 4 1 1 A 38 38 SER HA H 38 5.310 4.856 0.454 1 1 431 . 4 1 1 A 38 38 SER C C 38 175.102 174.353 0.749 1 1 432 . 4 1 1 A 38 38 SER CA C 38 56.296 56.255 0.041 1 1 433 . 4 1 1 A 38 38 SER CB C 38 67.233 66.047 1.186 1 1 434 . 4 1 1 A 38 38 SER N N 38 121.811 118.389 3.422 1 1 435 . 4 1 1 A 39 39 LEU H H 39 7.023 7.780 -0.757 1 1 436 . 4 1 1 A 39 39 LEU HA H 39 3.872 3.721 0.151 1 1 446 . 4 1 1 A 39 39 LEU C C 39 179.845 178.276 1.569 1 1 447 . 4 1 1 A 39 39 LEU CA C 39 58.210 58.019 0.191 1 1 448 . 4 1 1 A 39 39 LEU CB C 39 40.711 40.858 -0.147 1 1 452 . 4 1 1 A 39 39 LEU N N 39 121.811 122.406 -0.595 1 1 453 . 4 1 1 A 40 40 ALA H H 40 8.447 8.090 0.357 1 1 454 . 4 1 1 A 40 40 ALA HA H 40 3.890 3.989 -0.099 1 1 458 . 4 1 1 A 40 40 ALA C C 40 179.995 179.861 0.134 1 1 459 . 4 1 1 A 40 40 ALA CA C 40 55.203 54.633 0.570 1 1 460 . 4 1 1 A 40 40 ALA CB C 40 18.291 18.109 0.182 1 1 461 . 4 1 1 A 40 40 ALA N N 40 119.362 119.299 0.063 1 1 462 . 4 1 1 A 41 41 ASP H H 41 7.517 7.881 -0.364 1 1 463 . 4 1 1 A 41 41 ASP HA H 41 4.469 4.327 0.142 1 1 466 . 4 1 1 A 41 41 ASP C C 41 176.720 178.557 -1.837 1 1 467 . 4 1 1 A 41 41 ASP CA C 41 56.296 56.792 -0.496 1 1 468 . 4 1 1 A 41 41 ASP CB C 41 42.079 40.554 1.525 1 1 469 . 4 1 1 A 41 41 ASP N N 41 114.850 118.825 -3.975 1 1 470 . 4 1 1 A 42 42 MET H H 42 7.989 7.892 0.097 1 1 471 . 4 1 1 A 42 42 MET HA H 42 4.336 4.446 -0.110 1 1 479 . 4 1 1 A 42 42 MET C C 42 175.440 177.285 -1.845 1 1 480 . 4 1 1 A 42 42 MET CA C 42 56.843 58.126 -1.283 1 1 481 . 4 1 1 A 42 42 MET CB C 42 31.962 32.459 -0.497 1 1 484 . 4 1 1 A 42 42 MET N N 42 118.847 116.132 2.715 1 1 485 . 4 1 1 A 43 43 LYS H H 43 6.901 7.647 -0.746 1 1 486 . 4 1 1 A 43 43 LYS HA H 43 4.265 4.304 -0.039 1 1 494 . 4 1 1 A 43 43 LYS C C 43 177.435 177.471 -0.036 1 1 495 . 4 1 1 A 43 43 LYS CA C 43 57.664 58.653 -0.989 1 1 496 . 4 1 1 A 43 43 LYS CB C 43 33.329 32.384 0.945 1 1 500 . 4 1 1 A 43 43 LYS N N 43 116.913 119.559 -2.646 1 1 501 . 4 1 1 A 44 44 GLY H H 44 9.268 9.038 0.230 1 1 502 . 4 1 1 A 44 44 GLY HA2 H 44 3.692 4.038 -0.346 1 1 503 . 4 1 1 A 44 44 GLY HA3 H 44 4.596 4.039 0.557 1 1 504 . 4 1 1 A 44 44 GLY C C 44 173.671 173.369 0.302 1 1 505 . 4 1 1 A 44 44 GLY CA C 44 44.813 45.163 -0.350 1 1 506 . 4 1 1 A 44 44 GLY N N 44 111.112 112.381 -1.269 1 1 507 . 4 1 1 A 45 45 LYS H H 45 7.516 7.340 0.176 1 1 508 . 4 1 1 A 45 45 LYS HA H 45 4.754 4.829 -0.075 1 1 515 . 4 1 1 A 45 45 LYS C C 45 175.214 174.711 0.503 1 1 516 . 4 1 1 A 45 45 LYS CA C 45 54.820 55.005 -0.185 1 1 517 . 4 1 1 A 45 45 LYS CB C 45 36.883 36.083 0.800 1 1 521 . 4 1 1 A 45 45 LYS N N 45 117.944 121.188 -3.244 1 1 522 . 4 1 1 A 46 46 VAL H H 46 8.887 8.631 0.256 1 1 523 . 4 1 1 A 46 46 VAL HA H 46 3.950 4.289 -0.339 1 1 531 . 4 1 1 A 46 46 VAL C C 46 174.876 175.272 -0.396 1 1 532 . 4 1 1 A 46 46 VAL CA C 46 64.773 63.313 1.460 1 1 533 . 4 1 1 A 46 46 VAL CB C 46 31.962 32.238 -0.276 1 1 536 . 4 1 1 A 46 46 VAL N N 46 124.776 124.669 0.107 1 1 537 . 4 1 1 A 47 47 THR H H 47 8.956 8.859 0.097 1 1 538 . 4 1 1 A 47 47 THR HA H 47 5.300 5.433 -0.133 1 1 543 . 4 1 1 A 47 47 THR C C 47 172.579 173.473 -0.894 1 1 544 . 4 1 1 A 47 47 THR CA C 47 62.312 61.282 1.030 1 1 545 . 4 1 1 A 47 47 THR CB C 47 73.249 72.382 0.867 1 1 547 . 4 1 1 A 47 47 THR N N 47 124.132 121.801 2.331 1 1 548 . 4 1 1 A 48 48 ILE H H 48 9.160 8.978 0.182 1 1 549 . 4 1 1 A 48 48 ILE HA H 48 4.740 5.001 -0.261 1 1 559 . 4 1 1 A 48 48 ILE C C 48 173.972 175.125 -1.153 1 1 560 . 4 1 1 A 48 48 ILE CA C 48 61.441 60.059 1.382 1 1 561 . 4 1 1 A 48 48 ILE CB C 48 40.438 42.093 -1.655 1 1 565 . 4 1 1 A 48 48 ILE N N 48 128.515 124.436 4.079 1 1 566 . 4 1 1 A 49 49 ILE H H 49 9.507 9.221 0.286 1 1 567 . 4 1 1 A 49 49 ILE HA H 49 4.883 5.104 -0.221 1 1 577 . 4 1 1 A 49 49 ILE C C 49 174.650 175.637 -0.987 1 1 578 . 4 1 1 A 49 49 ILE CA C 49 60.773 60.423 0.350 1 1 579 . 4 1 1 A 49 49 ILE CB C 49 41.532 41.463 0.069 1 1 583 . 4 1 1 A 49 49 ILE N N 49 126.194 127.271 -1.077 1 1 584 . 4 1 1 A 50 50 SER H H 50 9.079 9.307 -0.228 1 1 585 . 4 1 1 A 50 50 SER HA H 50 5.138 5.689 -0.551 1 1 588 . 4 1 1 A 50 50 SER C C 50 172.692 173.957 -1.265 1 1 589 . 4 1 1 A 50 50 SER CA C 50 56.843 55.917 0.926 1 1 590 . 4 1 1 A 50 50 SER CB C 50 64.773 66.168 -1.395 1 1 591 . 4 1 1 A 50 50 SER N N 50 121.940 121.658 0.282 1 1 592 . 4 1 1 A 51 51 VAL H H 51 9.010 8.805 0.205 1 1 593 . 4 1 1 A 51 51 VAL HA H 51 4.873 5.083 -0.210 1 1 601 . 4 1 1 A 51 51 VAL CA C 51 61.595 61.277 0.318 1 1 602 . 4 1 1 A 51 51 VAL CB C 51 32.509 35.217 -2.708 1 1 605 . 4 1 1 A 51 51 VAL N N 51 128.128 121.363 6.765 1 1 606 . 4 1 1 A 52 52 ILE H H 52 8.182 8.727 -0.545 1 1 607 . 4 1 1 A 52 52 ILE HA H 52 4.862 4.775 0.087 1 1 616 . 4 1 1 A 52 52 ILE CA C 52 58.026 57.228 0.798 1 1 617 . 4 1 1 A 52 52 ILE CB C 52 43.172 40.495 2.677 1 1 621 . 4 1 1 A 52 52 ILE N N 52 124.776 123.245 1.531 1 1 622 . 4 1 1 A 53 53 PRO HA H 53 4.904 4.510 0.394 1 1 629 . 4 1 1 A 53 53 PRO CA C 53 65.560 64.757 0.803 1 1 630 . 4 1 1 A 53 53 PRO CB C 53 31.826 32.475 -0.649 1 1 633 . 4 1 1 A 54 54 SER H H 54 7.214 7.725 -0.511 1 1 634 . 4 1 1 A 54 54 SER HA H 54 5.100 4.964 0.136 1 1 637 . 4 1 1 A 54 54 SER CA C 54 57.417 57.571 -0.154 1 1 638 . 4 1 1 A 54 54 SER CB C 54 65.195 67.798 -2.603 1 1 639 . 4 1 1 A 54 54 SER N N 54 107.901 113.021 -5.120 1 1 640 . 4 1 1 A 55 55 ILE H H 55 7.330 8.812 -1.482 1 1 641 . 4 1 1 A 55 55 ILE HA H 55 5.075 4.395 0.680 1 1 651 . 4 1 1 A 55 55 ILE CA C 55 61.734 61.631 0.103 1 1 652 . 4 1 1 A 55 55 ILE CB C 55 36.233 39.581 -3.348 1 1 656 . 4 1 1 A 56 56 ASP H H 56 8.699 8.245 0.454 1 1 657 . 4 1 1 A 56 56 ASP HA H 56 5.075 4.524 0.551 1 1 660 . 4 1 1 A 56 56 ASP CA C 56 54.407 56.036 -1.629 1 1 661 . 4 1 1 A 56 56 ASP CB C 56 42.832 41.019 1.813 1 1 662 . 4 1 1 A 56 56 ASP N N 56 121.940 121.382 0.558 1 1 663 . 4 1 1 A 57 57 THR H H 57 7.294 7.737 -0.443 1 1 664 . 4 1 1 A 57 57 THR HA H 57 4.323 4.165 0.158 1 1 669 . 4 1 1 A 57 57 THR C C 57 175.440 175.709 -0.269 1 1 670 . 4 1 1 A 57 57 THR CA C 57 61.765 63.470 -1.705 1 1 671 . 4 1 1 A 57 57 THR CB C 57 69.421 70.417 -0.996 1 1 673 . 4 1 1 A 57 57 THR N N 57 108.921 109.863 -0.942 1 1 674 . 4 1 1 A 58 58 GLY H H 58 8.215 7.940 0.275 1 1 675 . 4 1 1 A 58 58 GLY HA2 H 58 4.012 4.018 -0.006 1 1 676 . 4 1 1 A 58 58 GLY HA3 H 58 4.012 4.023 -0.011 1 1 677 . 4 1 1 A 58 58 GLY C C 58 173.520 175.394 -1.874 1 1 678 . 4 1 1 A 58 58 GLY CA C 58 45.360 45.016 0.344 1 1 679 . 4 1 1 A 58 58 GLY N N 58 110.969 110.216 0.753 1 1 680 . 4 1 1 A 59 59 VAL H H 59 7.976 8.120 -0.144 1 1 681 . 4 1 1 A 59 59 VAL HA H 59 4.307 3.861 0.446 1 1 689 . 4 1 1 A 59 59 VAL C C 59 175.854 178.150 -2.296 1 1 690 . 4 1 1 A 59 59 VAL CA C 59 61.765 64.995 -3.230 1 1 691 . 4 1 1 A 59 59 VAL CB C 59 33.329 31.118 2.211 1 1 694 . 4 1 1 A 59 59 VAL N N 59 118.501 118.794 -0.293 1 1 696 . 4 1 1 A 61 61 ASP HA H 61 4.323 4.811 -0.488 1 1 697 . 4 1 1 A 61 61 ASP CA C 61 54.382 52.977 1.405 1 1 698 . 4 1 1 A 61 61 ASP CB C 61 39.142 41.618 -2.476 1 1 699 . 4 1 1 A 62 62 ALA H H 62 8.663 7.118 1.545 1 1 700 . 4 1 1 A 62 62 ALA HA H 62 3.971 4.503 -0.532 1 1 704 . 4 1 1 A 62 62 ALA C C 62 180.485 177.401 3.084 1 1 705 . 4 1 1 A 62 62 ALA CA C 62 55.203 50.766 4.437 1 1 706 . 4 1 1 A 62 62 ALA CB C 62 18.838 20.369 -1.531 1 1 707 . 4 1 1 A 63 63 GLN H H 63 8.550 8.477 0.073 1 1 708 . 4 1 1 A 63 63 GLN HA H 63 3.865 3.588 0.277 1 1 715 . 4 1 1 A 63 63 GLN C C 63 178.527 177.483 1.044 1 1 716 . 4 1 1 A 63 63 GLN CA C 63 59.346 58.769 0.577 1 1 717 . 4 1 1 A 63 63 GLN CB C 63 28.635 28.448 0.187 1 1 719 . 4 1 1 A 63 63 GLN N N 63 117.429 117.471 -0.042 1 1 721 . 4 1 1 A 64 64 THR H H 64 8.121 8.119 0.002 1 1 722 . 4 1 1 A 64 64 THR HA H 64 3.624 3.871 -0.247 1 1 727 . 4 1 1 A 64 64 THR C C 64 178.527 176.373 2.154 1 1 728 . 4 1 1 A 64 64 THR CA C 64 66.686 67.161 -0.475 1 1 729 . 4 1 1 A 64 64 THR CB C 64 68.600 68.541 0.059 1 1 731 . 4 1 1 A 64 64 THR N N 64 118.460 116.240 2.220 1 1 732 . 4 1 1 A 65 65 ARG H H 65 7.530 7.506 0.024 1 1 733 . 4 1 1 A 65 65 ARG HA H 65 3.904 3.969 -0.065 1 1 739 . 4 1 1 A 65 65 ARG CA C 65 59.507 59.876 -0.369 1 1 740 . 4 1 1 A 65 65 ARG CB C 65 29.637 29.697 -0.060 1 1 743 . 4 1 1 A 66 66 ARG H H 66 7.972 7.757 0.215 1 1 744 . 4 1 1 A 66 66 ARG HA H 66 4.056 3.903 0.153 1 1 751 . 4 1 1 A 66 66 ARG C C 66 177.624 177.993 -0.369 1 1 752 . 4 1 1 A 66 66 ARG CA C 66 59.031 58.656 0.375 1 1 753 . 4 1 1 A 66 66 ARG CB C 66 29.228 29.521 -0.293 1 1 756 . 4 1 1 A 66 66 ARG N N 66 118.460 119.314 -0.854 1 1 757 . 4 1 1 A 67 67 PHE H H 67 7.673 8.299 -0.626 1 1 758 . 4 1 1 A 67 67 PHE HA H 67 4.260 4.140 0.120 1 1 763 . 4 1 1 A 67 67 PHE C C 67 176.043 177.146 -1.103 1 1 764 . 4 1 1 A 67 67 PHE CA C 67 60.945 61.200 -0.255 1 1 765 . 4 1 1 A 67 67 PHE CB C 67 39.071 38.867 0.204 1 1 766 . 4 1 1 A 67 67 PHE N N 67 119.362 120.129 -0.767 1 1 767 . 4 1 1 A 68 68 ASN H H 68 7.688 8.145 -0.457 1 1 768 . 4 1 1 A 68 68 ASN HA H 68 4.150 3.866 0.284 1 1 771 . 4 1 1 A 68 68 ASN C C 68 177.172 177.959 -0.787 1 1 772 . 4 1 1 A 68 68 ASN CA C 68 55.750 56.087 -0.337 1 1 773 . 4 1 1 A 68 68 ASN CB C 68 37.977 37.665 0.312 1 1 774 . 4 1 1 A 68 68 ASN N N 68 117.042 117.588 -0.546 1 1 775 . 4 1 1 A 69 69 GLU H H 69 8.185 8.453 -0.268 1 1 776 . 4 1 1 A 69 69 GLU HA H 69 3.848 4.012 -0.164 1 1 781 . 4 1 1 A 69 69 GLU C C 69 179.468 179.075 0.393 1 1 782 . 4 1 1 A 69 69 GLU CA C 69 59.577 59.271 0.306 1 1 783 . 4 1 1 A 69 69 GLU CB C 69 30.321 29.142 1.179 1 1 785 . 4 1 1 A 69 69 GLU N N 69 118.975 119.642 -0.667 1 1 786 . 4 1 1 A 70 70 GLU H H 70 8.671 8.030 0.641 1 1 787 . 4 1 1 A 70 70 GLU HA H 70 3.807 3.982 -0.175 1 1 792 . 4 1 1 A 70 70 GLU C C 70 179.468 179.119 0.349 1 1 793 . 4 1 1 A 70 70 GLU CA C 70 58.757 58.934 -0.177 1 1 794 . 4 1 1 A 70 70 GLU CB C 70 29.501 29.458 0.043 1 1 796 . 4 1 1 A 70 70 GLU N N 70 118.975 119.555 -0.580 1 1 797 . 4 1 1 A 71 71 ALA H H 71 8.418 8.179 0.239 1 1 798 . 4 1 1 A 71 71 ALA HA H 71 3.616 3.918 -0.302 1 1 802 . 4 1 1 A 71 71 ALA C C 71 178.226 180.014 -1.788 1 1 803 . 4 1 1 A 71 71 ALA CA C 71 54.656 54.891 -0.235 1 1 804 . 4 1 1 A 71 71 ALA CB C 71 18.017 17.901 0.116 1 1 805 . 4 1 1 A 71 71 ALA N N 71 122.069 123.280 -1.211 1 1 806 . 4 1 1 A 72 72 ALA H H 72 7.520 8.127 -0.607 1 1 807 . 4 1 1 A 72 72 ALA HA H 72 3.842 4.007 -0.165 1 1 811 . 4 1 1 A 72 72 ALA C C 72 179.280 178.076 1.204 1 1 812 . 4 1 1 A 72 72 ALA CA C 72 54.109 54.166 -0.057 1 1 813 . 4 1 1 A 72 72 ALA CB C 72 18.564 18.250 0.314 1 1 814 . 4 1 1 A 72 72 ALA N N 72 116.139 119.286 -3.147 1 1 815 . 4 1 1 A 73 73 LYS H H 73 7.302 7.741 -0.439 1 1 816 . 4 1 1 A 73 73 LYS HA H 73 4.129 4.390 -0.261 1 1 825 . 4 1 1 A 73 73 LYS C C 73 177.661 177.784 -0.123 1 1 826 . 4 1 1 A 73 73 LYS CA C 73 57.116 56.299 0.817 1 1 827 . 4 1 1 A 73 73 LYS CB C 73 32.782 33.039 -0.257 1 1 831 . 4 1 1 A 73 73 LYS N N 73 114.850 115.800 -0.950 1 1 832 . 4 1 1 A 74 74 LEU H H 74 7.398 7.492 -0.094 1 1 833 . 4 1 1 A 74 74 LEU HA H 74 3.983 4.077 -0.094 1 1 843 . 4 1 1 A 74 74 LEU C C 74 177.021 176.836 0.185 1 1 844 . 4 1 1 A 74 74 LEU CA C 74 56.843 56.617 0.226 1 1 845 . 4 1 1 A 74 74 LEU CB C 74 42.625 42.925 -0.300 1 1 849 . 4 1 1 A 74 74 LEU N N 74 118.460 119.462 -1.002 1 1 850 . 4 1 1 A 75 75 GLY H H 75 7.174 7.226 -0.052 1 1 851 . 4 1 1 A 75 75 GLY HA2 H 75 4.215 4.055 0.160 1 1 852 . 4 1 1 A 75 75 GLY HA3 H 75 3.630 4.057 -0.427 1 1 853 . 4 1 1 A 75 75 GLY C C 75 172.805 173.353 -0.548 1 1 854 . 4 1 1 A 75 75 GLY CA C 75 45.360 45.633 -0.273 1 1 855 . 4 1 1 A 75 75 GLY N N 75 102.991 104.699 -1.708 1 1 856 . 4 1 1 A 76 76 ASP H H 76 8.825 8.535 0.290 1 1 857 . 4 1 1 A 76 76 ASP HA H 76 4.766 4.706 0.060 1 1 860 . 4 1 1 A 76 76 ASP C C 76 173.749 175.461 -1.712 1 1 861 . 4 1 1 A 76 76 ASP CA C 76 53.708 53.566 0.142 1 1 862 . 4 1 1 A 76 76 ASP CB C 76 39.071 40.288 -1.217 1 1 863 . 4 1 1 A 76 76 ASP N N 76 126.839 120.687 6.152 1 1 864 . 4 1 1 A 77 77 VAL H H 77 7.511 7.386 0.125 1 1 865 . 4 1 1 A 77 77 VAL HA H 77 4.772 4.100 0.672 1 1 873 . 4 1 1 A 77 77 VAL C C 77 175.629 175.685 -0.056 1 1 874 . 4 1 1 A 77 77 VAL CA C 77 58.959 62.002 -3.043 1 1 875 . 4 1 1 A 77 77 VAL CB C 77 34.970 32.613 2.357 1 1 878 . 4 1 1 A 77 77 VAL N N 77 115.615 117.757 -2.142 1 1 879 . 4 1 1 A 78 78 ASN H H 78 8.822 8.705 0.117 1 1 880 . 4 1 1 A 78 78 ASN HA H 78 4.820 4.728 0.092 1 1 885 . 4 1 1 A 78 78 ASN C C 78 174.047 174.399 -0.352 1 1 886 . 4 1 1 A 78 78 ASN CA C 78 52.085 53.619 -1.534 1 1 887 . 4 1 1 A 78 78 ASN CB C 78 40.438 38.579 1.859 1 1 888 . 4 1 1 A 78 78 ASN N N 78 120.393 122.353 -1.960 1 1 890 . 4 1 1 A 79 79 VAL H H 79 8.044 8.018 0.026 1 1 891 . 4 1 1 A 79 79 VAL HA H 79 4.669 4.794 -0.125 1 1 899 . 4 1 1 A 79 79 VAL C C 79 174.123 172.668 1.455 1 1 900 . 4 1 1 A 79 79 VAL CA C 79 61.491 59.793 1.698 1 1 901 . 4 1 1 A 79 79 VAL CB C 79 33.329 34.911 -1.582 1 1 904 . 4 1 1 A 79 79 VAL N N 79 122.456 119.176 3.280 1 1 905 . 4 1 1 A 80 80 TYR H H 80 8.944 8.913 0.031 1 1 906 . 4 1 1 A 80 80 TYR HA H 80 6.170 5.340 0.830 1 1 911 . 4 1 1 A 80 80 TYR C C 80 177.210 175.296 1.914 1 1 912 . 4 1 1 A 80 80 TYR CA C 80 54.929 55.984 -1.055 1 1 913 . 4 1 1 A 80 80 TYR CB C 80 42.899 42.831 0.068 1 1 914 . 4 1 1 A 80 80 TYR N N 80 123.229 125.684 -2.455 1 1 915 . 4 1 1 A 81 81 THR H H 81 8.465 8.718 -0.253 1 1 916 . 4 1 1 A 81 81 THR HA H 81 5.652 5.280 0.372 1 1 921 . 4 1 1 A 81 81 THR C C 81 172.880 173.264 -0.384 1 1 922 . 4 1 1 A 81 81 THR CA C 81 62.038 61.626 0.412 1 1 923 . 4 1 1 A 81 81 THR CB C 81 71.608 71.204 0.404 1 1 925 . 4 1 1 A 81 81 THR N N 81 119.491 115.704 3.787 1 1 926 . 4 1 1 A 82 82 ILE H H 82 8.958 9.400 -0.442 1 1 927 . 4 1 1 A 82 82 ILE HA H 82 5.145 4.382 0.763 1 1 937 . 4 1 1 A 82 82 ILE C C 82 174.123 175.492 -1.369 1 1 938 . 4 1 1 A 82 82 ILE CA C 82 59.847 61.469 -1.622 1 1 939 . 4 1 1 A 82 82 ILE CB C 82 39.618 37.773 1.845 1 1 943 . 4 1 1 A 82 82 ILE N N 82 125.550 128.528 -2.978 1 1 944 . 4 1 1 A 83 83 SER H H 83 7.731 9.162 -1.431 1 1 945 . 4 1 1 A 83 83 SER HA H 83 4.909 5.353 -0.444 1 1 948 . 4 1 1 A 83 83 SER C C 83 173.182 174.015 -0.833 1 1 949 . 4 1 1 A 83 83 SER CA C 83 57.034 57.515 -0.481 1 1 950 . 4 1 1 A 83 83 SER CB C 83 68.054 66.612 1.442 1 1 951 . 4 1 1 A 83 83 SER N N 83 117.171 123.875 -6.704 1 1 952 . 4 1 1 A 84 84 ALA H H 84 9.548 8.560 0.988 1 1 953 . 4 1 1 A 84 84 ALA HA H 84 4.177 3.892 0.285 1 1 957 . 4 1 1 A 84 84 ALA C C 84 175.290 176.585 -1.295 1 1 958 . 4 1 1 A 84 84 ALA CA C 84 51.922 51.142 0.780 1 1 959 . 4 1 1 A 84 84 ALA CB C 84 19.111 19.666 -0.555 1 1 960 . 4 1 1 A 84 84 ALA N N 84 120.651 125.602 -4.951 1 1 961 . 4 1 1 A 85 85 ASP H H 85 7.739 8.477 -0.738 1 1 962 . 4 1 1 A 85 85 ASP HA H 85 4.380 4.903 -0.523 1 1 965 . 4 1 1 A 85 85 ASP C C 85 175.591 176.052 -0.461 1 1 966 . 4 1 1 A 85 85 ASP CA C 85 55.136 53.010 2.126 1 1 967 . 4 1 1 A 85 85 ASP CB C 85 43.011 41.523 1.488 1 1 968 . 4 1 1 A 85 85 ASP N N 85 114.721 118.055 -3.334 1 1 969 . 4 1 1 A 86 86 LEU H H 86 8.475 7.337 1.138 1 1 970 . 4 1 1 A 86 86 LEU HA H 86 3.956 4.431 -0.475 1 1 980 . 4 1 1 A 86 86 LEU CA C 86 54.656 53.688 0.968 1 1 981 . 4 1 1 A 86 86 LEU CB C 86 39.380 41.267 -1.887 1 1 985 . 4 1 1 A 87 87 PRO HA H 87 4.225 4.079 0.146 1 1 992 . 4 1 1 A 87 87 PRO CA C 87 65.046 64.811 0.235 1 1 993 . 4 1 1 A 87 87 PRO CB C 87 32.264 31.268 0.996 1 1 996 . 4 1 1 A 88 88 PHE H H 88 5.565 7.857 -2.292 1 1 997 . 4 1 1 A 88 88 PHE HA H 88 4.340 4.469 -0.129 1 1 1000 . 4 1 1 A 88 88 PHE CA C 88 57.664 58.986 -1.322 1 1 1001 . 4 1 1 A 88 88 PHE CB C 88 39.344 38.810 0.534 1 1 1002 . 4 1 1 A 88 88 PHE N N 88 110.725 115.993 -5.268 1 1 1003 . 4 1 1 A 89 89 ALA H H 89 7.381 7.843 -0.462 1 1 1004 . 4 1 1 A 89 89 ALA HA H 89 4.239 4.624 -0.385 1 1 1008 . 4 1 1 A 89 89 ALA CA C 89 52.009 50.523 1.486 1 1 1009 . 4 1 1 A 89 89 ALA CB C 89 19.761 21.843 -2.082 1 1 1010 . 4 1 1 A 89 89 ALA N N 89 114.850 122.269 -7.419 1 1 1011 . 4 1 1 A 90 90 GLN H H 90 7.231 8.803 -1.572 1 1 1012 . 4 1 1 A 90 90 GLN HA H 90 3.695 4.197 -0.502 1 1 1018 . 4 1 1 A 90 90 GLN CA C 90 59.578 57.100 2.478 1 1 1019 . 4 1 1 A 90 90 GLN CB C 90 28.728 26.747 1.981 1 1 1022 . 4 1 1 A 91 91 ALA H H 91 7.741 8.369 -0.628 1 1 1023 . 4 1 1 A 91 91 ALA HA H 91 4.202 4.080 0.122 1 1 1027 . 4 1 1 A 91 91 ALA CA C 91 54.382 54.170 0.212 1 1 1028 . 4 1 1 A 91 91 ALA CB C 91 18.837 18.163 0.674 1 1 1029 . 4 1 1 A 91 91 ALA N N 91 118.589 122.820 -4.231 1 1 1030 . 4 1 1 A 92 92 ARG H H 92 7.354 7.619 -0.265 1 1 1031 . 4 1 1 A 92 92 ARG HA H 92 4.588 3.696 0.892 1 1 1038 . 4 1 1 A 92 92 ARG CA C 92 55.476 54.643 0.833 1 1 1039 . 4 1 1 A 92 92 ARG CB C 92 30.048 30.700 -0.652 1 1 1042 . 4 1 1 A 93 93 TRP H H 93 7.767 7.907 -0.140 1 1 1043 . 4 1 1 A 93 93 TRP HA H 93 4.881 4.288 0.593 1 1 1050 . 4 1 1 A 93 93 TRP CA C 93 57.534 58.133 -0.599 1 1 1051 . 4 1 1 A 93 93 TRP CB C 93 29.501 26.973 2.528 1 1 1052 . 4 1 1 A 93 93 TRP N N 93 121.927 120.153 1.774 1 1 1054 . 4 1 1 A 94 94 CYS HA H 94 3.901 4.367 -0.466 1 1 1057 . 4 1 1 A 94 94 CYS CA C 94 59.577 58.896 0.681 1 1 1058 . 4 1 1 A 94 94 CYS CB C 94 43.446 42.223 1.223 1 1 1059 . 4 1 1 A 95 95 GLY HA2 H 95 5.122 3.971 1.151 1 1 1060 . 4 1 1 A 95 95 GLY HA3 H 95 3.691 3.991 -0.300 1 1 1061 . 4 1 1 A 95 95 GLY CA C 95 45.511 46.197 -0.686 1 1 1062 . 4 1 1 A 96 96 ALA H H 96 7.504 8.045 -0.541 1 1 1063 . 4 1 1 A 96 96 ALA HA H 96 4.412 4.541 -0.129 1 1 1067 . 4 1 1 A 96 96 ALA CA C 96 51.699 51.095 0.604 1 1 1068 . 4 1 1 A 96 96 ALA CB C 96 21.025 20.043 0.982 1 1 1069 . 4 1 1 A 96 96 ALA N N 96 121.579 119.776 1.803 1 1 1070 . 4 1 1 A 97 97 ASN H H 97 7.345 8.262 -0.917 1 1 1071 . 4 1 1 A 97 97 ASN HA H 97 4.551 5.072 -0.521 1 1 1076 . 4 1 1 A 97 97 ASN CA C 97 54.929 52.337 2.592 1 1 1077 . 4 1 1 A 97 97 ASN CB C 97 39.071 41.375 -2.304 1 1 1079 . 4 1 1 A 98 98 GLY H H 98 8.890 8.757 0.133 1 1 1080 . 4 1 1 A 98 98 GLY HA2 H 98 3.796 3.939 -0.143 1 1 1081 . 4 1 1 A 98 98 GLY HA3 H 98 4.070 3.939 0.131 1 1 1082 . 4 1 1 A 98 98 GLY C C 98 174.160 173.786 0.374 1 1 1083 . 4 1 1 A 98 98 GLY CA C 98 45.841 45.448 0.393 1 1 1084 . 4 1 1 A 99 99 ILE H H 99 7.739 7.862 -0.123 1 1 1085 . 4 1 1 A 99 99 ILE HA H 99 4.198 4.367 -0.169 1 1 1095 . 4 1 1 A 99 99 ILE C C 99 175.561 175.610 -0.049 1 1 1096 . 4 1 1 A 99 99 ILE CA C 99 60.671 60.409 0.262 1 1 1097 . 4 1 1 A 99 99 ILE CB C 99 38.524 38.799 -0.275 1 1 1101 . 4 1 1 A 99 99 ILE N N 99 120.780 122.747 -1.967 1 1 1102 . 4 1 1 A 100 100 ASP H H 100 8.372 8.448 -0.076 1 1 1103 . 4 1 1 A 100 100 ASP HA H 100 4.426 4.137 0.289 1 1 1106 . 4 1 1 A 100 100 ASP C C 100 176.325 177.495 -1.170 1 1 1107 . 4 1 1 A 100 100 ASP CA C 100 56.023 57.739 -1.716 1 1 1108 . 4 1 1 A 100 100 ASP CB C 100 40.985 40.864 0.121 1 1 1109 . 4 1 1 A 100 100 ASP N N 100 126.194 127.504 -1.310 1 1 1110 . 4 1 1 A 101 101 LYS H H 101 8.081 7.797 0.284 1 1 1111 . 4 1 1 A 101 101 LYS HA H 101 4.052 4.188 -0.136 1 1 1120 . 4 1 1 A 101 101 LYS C C 101 175.874 177.495 -1.621 1 1 1121 . 4 1 1 A 101 101 LYS CA C 101 58.210 57.928 0.282 1 1 1122 . 4 1 1 A 101 101 LYS CB C 101 31.689 32.262 -0.573 1 1 1126 . 4 1 1 A 101 101 LYS N N 101 115.366 116.796 -1.430 1 1 1127 . 4 1 1 A 102 102 VAL H H 102 7.631 7.547 0.084 1 1 1128 . 4 1 1 A 102 102 VAL HA H 102 4.419 4.121 0.298 1 1 1136 . 4 1 1 A 102 102 VAL C C 102 175.145 175.505 -0.360 1 1 1137 . 4 1 1 A 102 102 VAL CA C 102 61.919 63.097 -1.178 1 1 1138 . 4 1 1 A 102 102 VAL CB C 102 32.782 32.443 0.339 1 1 1141 . 4 1 1 A 102 102 VAL N N 102 119.362 120.485 -1.123 1 1 1142 . 4 1 1 A 103 103 GLU H H 103 8.489 8.324 0.165 1 1 1143 . 4 1 1 A 103 103 GLU HA H 103 4.931 5.022 -0.091 1 1 1148 . 4 1 1 A 103 103 GLU C C 103 175.943 174.941 1.002 1 1 1149 . 4 1 1 A 103 103 GLU CA C 103 55.140 54.699 0.441 1 1 1150 . 4 1 1 A 103 103 GLU CB C 103 33.329 33.450 -0.121 1 1 1152 . 4 1 1 A 103 103 GLU N N 103 126.581 125.631 0.950 1 1 1153 . 4 1 1 A 104 104 THR H H 104 8.690 8.711 -0.021 1 1 1154 . 4 1 1 A 104 104 THR HA H 104 5.292 5.082 0.210 1 1 1159 . 4 1 1 A 104 104 THR C C 104 173.165 173.835 -0.670 1 1 1160 . 4 1 1 A 104 104 THR CA C 104 58.757 62.447 -3.690 1 1 1161 . 4 1 1 A 104 104 THR CB C 104 69.967 70.443 -0.476 1 1 1163 . 4 1 1 A 104 104 THR N N 104 114.979 122.442 -7.463 1 1 1164 . 4 1 1 A 105 105 LEU H H 105 8.635 8.957 -0.322 1 1 1165 . 4 1 1 A 105 105 LEU HA H 105 4.979 5.079 -0.100 1 1 1175 . 4 1 1 A 105 105 LEU C C 105 176.985 175.823 1.162 1 1 1176 . 4 1 1 A 105 105 LEU CA C 105 52.849 53.394 -0.545 1 1 1177 . 4 1 1 A 105 105 LEU CB C 105 45.633 45.592 0.041 1 1 1181 . 4 1 1 A 105 105 LEU N N 105 119.233 125.280 -6.047 1 1 1182 . 4 1 1 A 106 106 SER H H 106 9.670 9.346 0.324 1 1 1183 . 4 1 1 A 106 106 SER HA H 106 5.485 5.040 0.445 1 1 1186 . 4 1 1 A 106 106 SER C C 106 176.256 174.510 1.746 1 1 1187 . 4 1 1 A 106 106 SER CA C 106 56.570 56.701 -0.131 1 1 1188 . 4 1 1 A 106 106 SER CB C 106 65.593 63.668 1.925 1 1 1189 . 4 1 1 A 106 106 SER N N 106 114.979 118.526 -3.547 1 1 1190 . 4 1 1 A 107 107 ASP H H 107 8.764 7.638 1.126 1 1 1191 . 4 1 1 A 107 107 ASP HA H 107 5.517 4.220 1.297 1 1 1194 . 4 1 1 A 107 107 ASP CA C 107 52.753 57.543 -4.790 1 1 1195 . 4 1 1 A 107 107 ASP CB C 107 45.086 41.041 4.045 1 1 1196 . 4 1 1 A 107 107 ASP N N 107 132.898 124.109 8.789 1 1 1197 . 4 1 1 A 108 108 HIS H H 108 7.940 7.993 -0.053 1 1 1198 . 4 1 1 A 108 108 HIS HA H 108 4.075 4.340 -0.265 1 1 1200 . 4 1 1 A 108 108 HIS CA C 108 59.577 58.921 0.656 1 1 1201 . 4 1 1 A 108 108 HIS CB C 108 29.861 29.160 0.701 1 1 1202 . 4 1 1 A 108 108 HIS N N 108 116.397 118.002 -1.605 1 1 1203 . 4 1 1 A 109 109 ARG HA H 109 4.214 4.124 0.090 1 1 1206 . 4 1 1 A 109 109 ARG CA C 109 59.031 58.213 0.818 1 1 1207 . 4 1 1 A 109 109 ARG CB C 109 27.861 30.541 -2.680 1 1 1208 . 4 1 1 A 110 110 ASP HA H 110 4.867 4.806 0.061 1 1 1211 . 4 1 1 A 110 110 ASP C C 110 175.735 175.529 0.206 1 1 1212 . 4 1 1 A 110 110 ASP CA C 110 53.708 53.309 0.399 1 1 1213 . 4 1 1 A 110 110 ASP CB C 110 43.875 41.172 2.703 1 1 1214 . 4 1 1 A 111 111 MET H H 111 7.899 8.655 -0.756 1 1 1215 . 4 1 1 A 111 111 MET HA H 111 4.503 4.217 0.286 1 1 1221 . 4 1 1 A 111 111 MET C C 111 177.332 177.899 -0.567 1 1 1222 . 4 1 1 A 111 111 MET CA C 111 56.570 56.662 -0.092 1 1 1223 . 4 1 1 A 111 111 MET CB C 111 30.868 31.734 -0.866 1 1 1226 . 4 1 1 A 111 111 MET N N 111 116.397 122.824 -6.427 1 1 1227 . 4 1 1 A 112 112 SER H H 112 7.931 8.070 -0.139 1 1 1228 . 4 1 1 A 112 112 SER HA H 112 4.248 4.092 0.156 1 1 1231 . 4 1 1 A 112 112 SER C C 112 179.173 175.801 3.372 1 1 1232 . 4 1 1 A 112 112 SER CA C 112 60.945 62.532 -1.587 1 1 1233 . 4 1 1 A 112 112 SER CB C 112 64.499 63.282 1.217 1 1 1234 . 4 1 1 A 112 112 SER N N 112 113.561 116.501 -2.940 1 1 1235 . 4 1 1 A 113 113 PHE H H 113 10.125 7.534 2.591 1 1 1236 . 4 1 1 A 113 113 PHE HA H 113 3.593 3.921 -0.328 1 1 1241 . 4 1 1 A 113 113 PHE C C 113 177.437 177.897 -0.460 1 1 1242 . 4 1 1 A 113 113 PHE CA C 113 62.312 60.977 1.335 1 1 1243 . 4 1 1 A 113 113 PHE CB C 113 37.704 38.679 -0.975 1 1 1244 . 4 1 1 A 113 113 PHE N N 113 125.550 122.502 3.048 1 1 1245 . 4 1 1 A 114 114 GLY H H 114 10.707 8.562 2.145 1 1 1246 . 4 1 1 A 114 114 GLY HA2 H 114 3.396 3.402 -0.006 1 1 1247 . 4 1 1 A 114 114 GLY HA3 H 114 3.218 3.582 -0.364 1 1 1248 . 4 1 1 A 114 114 GLY C C 114 175.735 175.551 0.184 1 1 1249 . 4 1 1 A 114 114 GLY CA C 114 48.641 47.100 1.541 1 1 1250 . 4 1 1 A 114 114 GLY N N 114 109.178 106.139 3.039 1 1 1251 . 4 1 1 A 115 115 GLU H H 115 8.251 8.232 0.019 1 1 1252 . 4 1 1 A 115 115 GLU HA H 115 4.431 4.178 0.253 1 1 1257 . 4 1 1 A 115 115 GLU C C 115 178.756 178.462 0.294 1 1 1258 . 4 1 1 A 115 115 GLU CA C 115 59.031 59.031 0.000 1 1 1259 . 4 1 1 A 115 115 GLU CB C 115 29.775 29.458 0.317 1 1 1261 . 4 1 1 A 115 115 GLU N N 115 120.522 121.319 -0.797 1 1 1262 . 4 1 1 A 116 116 ALA H H 116 7.895 8.133 -0.238 1 1 1263 . 4 1 1 A 116 116 ALA HA H 116 4.111 4.172 -0.061 1 1 1267 . 4 1 1 A 116 116 ALA C C 116 177.610 179.367 -1.757 1 1 1268 . 4 1 1 A 116 116 ALA CA C 116 55.476 55.042 0.434 1 1 1269 . 4 1 1 A 116 116 ALA CB C 116 18.838 18.617 0.221 1 1 1270 . 4 1 1 A 116 116 ALA N N 116 123.100 122.330 0.770 1 1 1271 . 4 1 1 A 117 117 PHE H H 117 8.161 7.709 0.452 1 1 1272 . 4 1 1 A 117 117 PHE HA H 117 4.262 4.404 -0.142 1 1 1277 . 4 1 1 A 117 117 PHE C C 117 175.353 175.617 -0.264 1 1 1278 . 4 1 1 A 117 117 PHE CA C 117 56.843 57.415 -0.572 1 1 1279 . 4 1 1 A 117 117 PHE CB C 117 38.251 38.588 -0.337 1 1 1280 . 4 1 1 A 117 117 PHE N N 117 113.432 112.787 0.645 1 1 1281 . 4 1 1 A 118 118 GLY H H 118 7.685 7.725 -0.040 1 1 1282 . 4 1 1 A 118 118 GLY HA2 H 118 3.544 3.999 -0.455 1 1 1283 . 4 1 1 A 118 118 GLY HA3 H 118 4.362 4.012 0.350 1 1 1284 . 4 1 1 A 118 118 GLY C C 118 174.901 175.348 -0.447 1 1 1285 . 4 1 1 A 118 118 GLY CA C 118 47.274 45.899 1.375 1 1 1286 . 4 1 1 A 118 118 GLY N N 118 112.143 108.086 4.057 1 1 1287 . 4 1 1 A 119 119 VAL H H 119 8.380 8.123 0.257 1 1 1288 . 4 1 1 A 119 119 VAL HA H 119 4.788 4.295 0.493 1 1 1296 . 4 1 1 A 119 119 VAL C C 119 174.901 176.115 -1.214 1 1 1297 . 4 1 1 A 119 119 VAL CA C 119 59.532 64.526 -4.994 1 1 1298 . 4 1 1 A 119 119 VAL CB C 119 32.509 31.677 0.832 1 1 1301 . 4 1 1 A 119 119 VAL N N 119 102.475 119.675 -17.200 1 1 1302 . 4 1 1 A 120 120 TYR H H 120 6.841 7.706 -0.865 1 1 1303 . 4 1 1 A 120 120 TYR HA H 120 4.484 4.635 -0.151 1 1 1308 . 4 1 1 A 120 120 TYR C C 120 173.443 175.343 -1.900 1 1 1309 . 4 1 1 A 120 120 TYR CA C 120 54.929 57.313 -2.384 1 1 1310 . 4 1 1 A 120 120 TYR CB C 120 37.704 38.506 -0.802 1 1 1311 . 4 1 1 A 120 120 TYR N N 120 124.518 124.863 -0.345 1 1 1312 . 4 1 1 A 121 121 ILE H H 121 9.244 9.153 0.091 1 1 1313 . 4 1 1 A 121 121 ILE HA H 121 4.419 3.993 0.426 1 1 1323 . 4 1 1 A 121 121 ILE C C 121 176.221 176.375 -0.154 1 1 1324 . 4 1 1 A 121 121 ILE CA C 121 62.014 62.542 -0.528 1 1 1325 . 4 1 1 A 121 121 ILE CB C 121 37.704 37.789 -0.085 1 1 1329 . 4 1 1 A 121 121 ILE N N 121 128.772 128.311 0.461 1 1 1330 . 4 1 1 A 122 122 LYS H H 122 9.328 8.961 0.367 1 1 1331 . 4 1 1 A 122 122 LYS HA H 122 3.588 3.635 -0.047 1 1 1340 . 4 1 1 A 122 122 LYS C C 122 179.069 178.053 1.016 1 1 1341 . 4 1 1 A 122 122 LYS CA C 122 60.124 59.927 0.197 1 1 1342 . 4 1 1 A 122 122 LYS CB C 122 33.329 32.165 1.164 1 1 1346 . 4 1 1 A 122 122 LYS N N 122 134.955 129.005 5.950 1 1 1347 . 4 1 1 A 123 123 GLU H H 123 10.228 7.364 2.864 1 1 1348 . 4 1 1 A 123 123 GLU HA H 123 3.919 4.078 -0.159 1 1 1353 . 4 1 1 A 123 123 GLU C C 123 176.638 179.347 -2.709 1 1 1354 . 4 1 1 A 123 123 GLU CA C 123 61.218 58.584 2.634 1 1 1355 . 4 1 1 A 123 123 GLU CB C 123 29.228 30.182 -0.954 1 1 1357 . 4 1 1 A 123 123 GLU N N 123 115.624 119.026 -3.402 1 1 1358 . 4 1 1 A 124 124 LEU H H 124 6.480 7.810 -1.330 1 1 1359 . 4 1 1 A 124 124 LEU HA H 124 4.464 4.127 0.337 1 1 1369 . 4 1 1 A 124 124 LEU C C 124 175.403 176.075 -0.672 1 1 1370 . 4 1 1 A 124 124 LEU CA C 124 53.562 56.928 -3.366 1 1 1371 . 4 1 1 A 124 124 LEU CB C 124 44.813 42.466 2.347 1 1 1375 . 4 1 1 A 124 124 LEU N N 124 110.434 120.483 -10.049 1 1 1376 . 4 1 1 A 125 125 ARG H H 125 8.701 7.482 1.219 1 1 1377 . 4 1 1 A 125 125 ARG HA H 125 3.783 3.747 0.036 1 1 1380 . 4 1 1 A 125 125 ARG C C 125 173.029 174.792 -1.763 1 1 1381 . 4 1 1 A 125 125 ARG CA C 125 57.664 57.115 0.549 1 1 1382 . 4 1 1 A 125 125 ARG CB C 125 30.965 27.144 3.821 1 1 1383 . 4 1 1 A 125 125 ARG N N 125 121.940 116.715 5.225 1 1 1384 . 4 1 1 A 126 126 LEU H H 126 6.671 7.818 -1.147 1 1 1385 . 4 1 1 A 126 126 LEU HA H 126 4.621 5.146 -0.525 1 1 1395 . 4 1 1 A 126 126 LEU C C 126 174.203 174.539 -0.336 1 1 1396 . 4 1 1 A 126 126 LEU CA C 126 51.922 53.370 -1.448 1 1 1397 . 4 1 1 A 126 126 LEU CB C 126 46.727 46.126 0.601 1 1 1401 . 4 1 1 A 126 126 LEU N N 126 111.885 119.480 -7.595 1 1 1402 . 4 1 1 A 127 127 LEU H H 127 8.447 8.383 0.064 1 1 1403 . 4 1 1 A 127 127 LEU HA H 127 5.153 4.676 0.477 1 1 1413 . 4 1 1 A 127 127 LEU C C 127 175.145 176.923 -1.778 1 1 1414 . 4 1 1 A 127 127 LEU CA C 127 52.742 55.802 -3.060 1 1 1415 . 4 1 1 A 127 127 LEU CB C 127 43.172 42.658 0.514 1 1 1419 . 4 1 1 A 127 127 LEU N N 127 118.983 126.728 -7.745 1 1 1420 . 4 1 1 A 128 128 ALA H H 128 9.160 8.864 0.296 1 1 1421 . 4 1 1 A 128 128 ALA HA H 128 3.843 4.449 -0.606 1 1 1425 . 4 1 1 A 128 128 ALA C C 128 176.603 176.996 -0.393 1 1 1426 . 4 1 1 A 128 128 ALA CA C 128 52.469 52.127 0.342 1 1 1427 . 4 1 1 A 128 128 ALA CB C 128 18.291 19.503 -1.212 1 1 1428 . 4 1 1 A 128 128 ALA N N 128 121.682 128.412 -6.730 1 1 1429 . 4 1 1 A 129 129 ARG H H 129 6.254 8.700 -2.446 1 1 1430 . 4 1 1 A 129 129 ARG HA H 129 4.700 5.120 -0.420 1 1 1436 . 4 1 1 A 129 129 ARG C C 129 176.534 175.180 1.354 1 1 1437 . 4 1 1 A 129 129 ARG CA C 129 55.651 55.368 0.283 1 1 1438 . 4 1 1 A 129 129 ARG CB C 129 29.775 30.944 -1.169 1 1 1441 . 4 1 1 A 129 129 ARG N N 129 120.393 122.268 -1.875 1 1 1442 . 4 1 1 A 130 130 SER H H 130 8.398 8.812 -0.414 1 1 1443 . 4 1 1 A 130 130 SER HA H 130 4.767 4.905 -0.138 1 1 1446 . 4 1 1 A 130 130 SER C C 130 172.957 172.612 0.345 1 1 1447 . 4 1 1 A 130 130 SER CA C 130 57.658 57.398 0.260 1 1 1448 . 4 1 1 A 130 130 SER CB C 130 63.679 67.362 -3.683 1 1 1449 . 4 1 1 A 130 130 SER N N 130 120.264 122.220 -1.956 1 1 1450 . 4 1 1 A 131 131 VAL H H 131 7.838 7.958 -0.120 1 1 1451 . 4 1 1 A 131 131 VAL HA H 131 5.086 4.885 0.201 1 1 1459 . 4 1 1 A 131 131 VAL C C 131 172.853 172.846 0.007 1 1 1460 . 4 1 1 A 131 131 VAL CA C 131 60.746 59.935 0.811 1 1 1461 . 4 1 1 A 131 131 VAL CB C 131 36.610 35.374 1.236 1 1 1464 . 4 1 1 A 131 131 VAL N N 131 118.460 120.394 -1.934 1 1 1465 . 4 1 1 A 132 132 PHE H H 132 9.259 9.419 -0.160 1 1 1466 . 4 1 1 A 132 132 PHE HA H 132 5.583 5.600 -0.017 1 1 1470 . 4 1 1 A 132 132 PHE C C 132 174.797 174.819 -0.022 1 1 1471 . 4 1 1 A 132 132 PHE CA C 132 56.296 56.231 0.065 1 1 1472 . 4 1 1 A 132 132 PHE CB C 132 44.539 43.738 0.801 1 1 1473 . 4 1 1 A 132 132 PHE N N 132 121.682 124.885 -3.203 1 1 1474 . 4 1 1 A 133 133 VAL H H 133 8.907 8.774 0.133 1 1 1475 . 4 1 1 A 133 133 VAL HA H 133 5.331 5.209 0.122 1 1 1483 . 4 1 1 A 133 133 VAL C C 133 174.450 174.596 -0.146 1 1 1484 . 4 1 1 A 133 133 VAL CA C 133 61.491 59.949 1.542 1 1 1485 . 4 1 1 A 133 133 VAL CB C 133 34.696 36.136 -1.440 1 1 1488 . 4 1 1 A 133 133 VAL N N 133 119.878 116.821 3.057 1 1 1489 . 4 1 1 A 134 134 LEU H H 134 9.976 9.210 0.766 1 1 1490 . 4 1 1 A 134 134 LEU HA H 134 5.680 5.336 0.344 1 1 1500 . 4 1 1 A 134 134 LEU C C 134 176.777 175.147 1.630 1 1 1501 . 4 1 1 A 134 134 LEU CA C 134 52.195 53.515 -1.320 1 1 1502 . 4 1 1 A 134 134 LEU CB C 134 44.813 45.761 -0.948 1 1 1506 . 4 1 1 A 134 134 LEU N N 134 129.417 124.724 4.693 1 1 1507 . 4 1 1 A 135 135 ASP H H 135 9.051 9.213 -0.162 1 1 1508 . 4 1 1 A 135 135 ASP HA H 135 4.708 4.744 -0.036 1 1 1511 . 4 1 1 A 135 135 ASP C C 135 177.193 177.289 -0.096 1 1 1512 . 4 1 1 A 135 135 ASP CA C 135 52.276 53.620 -1.344 1 1 1513 . 4 1 1 A 135 135 ASP CB C 135 40.711 42.084 -1.373 1 1 1514 . 4 1 1 A 135 135 ASP N N 135 119.362 124.840 -5.478 1 1 1515 . 4 1 1 A 136 136 GLU H H 136 9.970 8.874 1.096 1 1 1516 . 4 1 1 A 136 136 GLU HA H 136 3.953 4.030 -0.077 1 1 1521 . 4 1 1 A 136 136 GLU C C 136 177.055 178.110 -1.055 1 1 1522 . 4 1 1 A 136 136 GLU CA C 136 58.757 59.444 -0.687 1 1 1523 . 4 1 1 A 136 136 GLU CB C 136 28.681 29.307 -0.626 1 1 1525 . 4 1 1 A 136 136 GLU N N 136 116.011 124.006 -7.995 1 1 1526 . 4 1 1 A 137 137 ASN H H 137 8.514 8.449 0.065 1 1 1527 . 4 1 1 A 137 137 ASN HA H 137 5.026 4.802 0.224 1 1 1532 . 4 1 1 A 137 137 ASN C C 137 175.943 175.873 0.070 1 1 1533 . 4 1 1 A 137 137 ASN CA C 137 52.753 53.258 -0.505 1 1 1534 . 4 1 1 A 137 137 ASN CB C 137 40.164 38.912 1.252 1 1 1535 . 4 1 1 A 137 137 ASN N N 137 117.042 115.906 1.136 1 1 1537 . 4 1 1 A 138 138 GLY H H 138 8.430 8.486 -0.056 1 1 1538 . 4 1 1 A 138 138 GLY HA2 H 138 3.690 3.988 -0.298 1 1 1539 . 4 1 1 A 138 138 GLY HA3 H 138 4.213 4.015 0.198 1 1 1540 . 4 1 1 A 138 138 GLY C C 138 172.436 174.384 -1.948 1 1 1541 . 4 1 1 A 138 138 GLY CA C 138 46.180 45.286 0.894 1 1 1542 . 4 1 1 A 138 138 GLY N N 138 109.565 108.818 0.747 1 1 1543 . 4 1 1 A 139 139 LYS H H 139 8.573 7.979 0.594 1 1 1544 . 4 1 1 A 139 139 LYS HA H 139 4.472 4.280 0.192 1 1 1553 . 4 1 1 A 139 139 LYS C C 139 176.742 175.822 0.920 1 1 1554 . 4 1 1 A 139 139 LYS CA C 139 56.195 56.621 -0.426 1 1 1555 . 4 1 1 A 139 139 LYS CB C 139 32.782 33.050 -0.268 1 1 1559 . 4 1 1 A 139 139 LYS N N 139 123.358 122.299 1.059 1 1 1560 . 4 1 1 A 140 140 VAL H H 140 9.102 8.654 0.448 1 1 1561 . 4 1 1 A 140 140 VAL HA H 140 4.293 4.352 -0.059 1 1 1569 . 4 1 1 A 140 140 VAL C C 140 177.124 175.937 1.187 1 1 1570 . 4 1 1 A 140 140 VAL CA C 140 63.952 62.372 1.580 1 1 1571 . 4 1 1 A 140 140 VAL CB C 140 31.142 32.402 -1.260 1 1 1574 . 4 1 1 A 140 140 VAL N N 140 125.292 124.371 0.921 1 1 1575 . 4 1 1 A 141 141 VAL H H 141 9.332 9.489 -0.157 1 1 1576 . 4 1 1 A 141 141 VAL HA H 141 4.670 4.445 0.225 1 1 1584 . 4 1 1 A 141 141 VAL C C 141 175.249 175.567 -0.318 1 1 1585 . 4 1 1 A 141 141 VAL CA C 141 61.491 63.222 -1.731 1 1 1586 . 4 1 1 A 141 141 VAL CB C 141 32.509 33.680 -1.171 1 1 1589 . 4 1 1 A 141 141 VAL N N 141 124.261 125.277 -1.016 1 1 1590 . 4 1 1 A 142 142 TYR H H 142 7.959 7.517 0.442 1 1 1591 . 4 1 1 A 142 142 TYR HA H 142 4.389 4.854 -0.465 1 1 1596 . 4 1 1 A 142 142 TYR C C 142 172.262 173.436 -1.174 1 1 1597 . 4 1 1 A 142 142 TYR CA C 142 58.757 57.852 0.905 1 1 1598 . 4 1 1 A 142 142 TYR CB C 142 41.805 41.749 0.056 1 1 1599 . 4 1 1 A 142 142 TYR N N 142 122.198 121.304 0.894 1 1 1600 . 4 1 1 A 143 143 ALA H H 143 7.642 7.869 -0.227 1 1 1601 . 4 1 1 A 143 143 ALA HA H 143 4.883 5.012 -0.129 1 1 1605 . 4 1 1 A 143 143 ALA C C 143 175.353 175.236 0.117 1 1 1606 . 4 1 1 A 143 143 ALA CA C 143 51.703 51.420 0.283 1 1 1607 . 4 1 1 A 143 143 ALA CB C 143 22.666 22.969 -0.303 1 1 1608 . 4 1 1 A 143 143 ALA N N 143 129.804 129.252 0.552 1 1 1609 . 4 1 1 A 144 144 GLU H H 144 8.292 8.104 0.188 1 1 1610 . 4 1 1 A 144 144 GLU HA H 144 4.297 4.761 -0.464 1 1 1615 . 4 1 1 A 144 144 GLU C C 144 173.860 173.770 0.090 1 1 1616 . 4 1 1 A 144 144 GLU CA C 144 56.296 55.389 0.907 1 1 1617 . 4 1 1 A 144 144 GLU CB C 144 32.509 33.950 -1.441 1 1 1619 . 4 1 1 A 144 144 GLU N N 144 122.198 121.495 0.703 1 1 1620 . 4 1 1 A 145 145 TYR H H 145 9.006 9.049 -0.043 1 1 1621 . 4 1 1 A 145 145 TYR HA H 145 4.125 5.085 -0.960 1 1 1626 . 4 1 1 A 145 145 TYR C C 145 175.164 175.073 0.091 1 1 1627 . 4 1 1 A 145 145 TYR CA C 145 57.117 56.632 0.485 1 1 1628 . 4 1 1 A 145 145 TYR CB C 145 38.251 40.121 -1.870 1 1 1629 . 4 1 1 A 145 145 TYR N N 145 128.128 123.934 4.194 1 1 1630 . 4 1 1 A 146 146 VAL H H 146 7.441 8.694 -1.253 1 1 1631 . 4 1 1 A 146 146 VAL HA H 146 3.672 4.030 -0.358 1 1 1639 . 4 1 1 A 146 146 VAL C C 146 176.777 176.457 0.320 1 1 1640 . 4 1 1 A 146 146 VAL CA C 146 64.226 63.663 0.563 1 1 1641 . 4 1 1 A 146 146 VAL CB C 146 30.868 32.050 -1.182 1 1 1644 . 4 1 1 A 146 146 VAL N N 146 125.808 126.175 -0.367 1 1 1645 . 4 1 1 A 147 147 SER H H 147 8.359 8.551 -0.192 1 1 1646 . 4 1 1 A 147 147 SER HA H 147 4.007 4.384 -0.377 1 1 1649 . 4 1 1 A 147 147 SER C C 147 172.123 174.627 -2.504 1 1 1650 . 4 1 1 A 147 147 SER CA C 147 63.132 60.828 2.304 1 1 1651 . 4 1 1 A 147 147 SER CB C 147 62.859 63.105 -0.246 1 1 1652 . 4 1 1 A 147 147 SER N N 147 121.425 120.828 0.597 1 1 1653 . 4 1 1 A 148 148 GLU H H 148 7.177 7.947 -0.770 1 1 1654 . 4 1 1 A 148 148 GLU HA H 148 5.055 4.941 0.114 1 1 1659 . 4 1 1 A 148 148 GLU C C 148 176.082 176.640 -0.558 1 1 1660 . 4 1 1 A 148 148 GLU CA C 148 52.563 55.176 -2.613 1 1 1661 . 4 1 1 A 148 148 GLU CB C 148 29.774 32.319 -2.545 1 1 1663 . 4 1 1 A 148 148 GLU N N 148 119.620 120.511 -0.891 1 1 1664 . 4 1 1 A 149 149 ALA H H 149 9.142 9.492 -0.350 1 1 1665 . 4 1 1 A 149 149 ALA HA H 149 4.704 4.050 0.654 1 1 1669 . 4 1 1 A 149 149 ALA C C 149 177.437 178.241 -0.804 1 1 1670 . 4 1 1 A 149 149 ALA CA C 149 54.466 55.002 -0.536 1 1 1671 . 4 1 1 A 149 149 ALA CB C 149 19.111 18.656 0.455 1 1 1672 . 4 1 1 A 149 149 ALA N N 149 127.741 129.445 -1.704 1 1 1673 . 4 1 1 A 150 150 THR H H 150 8.200 7.456 0.744 1 1 1674 . 4 1 1 A 150 150 THR HA H 150 4.393 4.339 0.054 1 1 1679 . 4 1 1 A 150 150 THR C C 150 174.554 174.672 -0.118 1 1 1680 . 4 1 1 A 150 150 THR CA C 150 62.312 61.998 0.314 1 1 1681 . 4 1 1 A 150 150 THR CB C 150 69.694 69.668 0.026 1 1 1683 . 4 1 1 A 150 150 THR N N 150 104.453 105.377 -0.924 1 1 1684 . 4 1 1 A 151 151 ASN H H 151 7.984 7.835 0.149 1 1 1685 . 4 1 1 A 151 151 ASN HA H 151 4.947 4.791 0.156 1 1 1690 . 4 1 1 A 151 151 ASN C C 151 174.554 174.579 -0.025 1 1 1691 . 4 1 1 A 151 151 ASN CA C 151 51.135 51.751 -0.616 1 1 1692 . 4 1 1 A 151 151 ASN CB C 151 39.344 40.158 -0.814 1 1 1693 . 4 1 1 A 151 151 ASN N N 151 123.487 122.385 1.102 1 1 1695 . 4 1 1 A 152 152 HIS H H 152 8.160 8.609 -0.449 1 1 1696 . 4 1 1 A 152 152 HIS HA H 152 4.731 5.305 -0.574 1 1 1700 . 4 1 1 A 152 152 HIS C C 152 174.381 172.896 1.485 1 1 1701 . 4 1 1 A 152 152 HIS CA C 152 54.854 53.174 1.680 1 1 1702 . 4 1 1 A 152 152 HIS CB C 152 31.415 32.488 -1.073 1 1 1703 . 4 1 1 A 152 152 HIS N N 152 116.139 116.233 -0.094 1 1 1704 . 4 1 1 A 153 153 PRO HA H 153 4.335 4.512 -0.177 1 1 1709 . 4 1 1 A 153 153 PRO C C 153 173.894 176.365 -2.471 1 1 1710 . 4 1 1 A 153 153 PRO CA C 153 61.491 62.208 -0.717 1 1 1711 . 4 1 1 A 153 153 PRO CB C 153 32.782 32.611 0.171 1 1 1714 . 4 1 1 A 154 154 ASN H H 154 9.511 8.635 0.876 1 1 1715 . 4 1 1 A 154 154 ASN HA H 154 4.306 4.816 -0.510 1 1 1720 . 4 1 1 A 154 154 ASN C C 154 176.568 176.345 0.223 1 1 1721 . 4 1 1 A 154 154 ASN CA C 154 54.656 53.179 1.477 1 1 1722 . 4 1 1 A 154 154 ASN CB C 154 39.071 39.193 -0.122 1 1 1723 . 4 1 1 A 154 154 ASN N N 154 118.718 119.694 -0.976 1 1 1725 . 4 1 1 A 155 155 TYR H H 155 8.691 8.359 0.332 1 1 1726 . 4 1 1 A 155 155 TYR HA H 155 4.364 4.355 0.009 1 1 1731 . 4 1 1 A 155 155 TYR C C 155 176.256 176.848 -0.592 1 1 1732 . 4 1 1 A 155 155 TYR CA C 155 59.304 58.011 1.293 1 1 1733 . 4 1 1 A 155 155 TYR CB C 155 39.344 38.552 0.792 1 1 1734 . 4 1 1 A 155 155 TYR N N 155 125.421 125.676 -0.255 1 1 1735 . 4 1 1 A 156 156 GLU H H 156 8.200 7.976 0.224 1 1 1736 . 4 1 1 A 156 156 GLU HA H 156 4.415 4.069 0.346 1 1 1741 . 4 1 1 A 156 156 GLU C C 156 178.583 178.978 -0.395 1 1 1742 . 4 1 1 A 156 156 GLU CA C 156 58.757 59.136 -0.379 1 1 1743 . 4 1 1 A 156 156 GLU CB C 156 30.868 28.926 1.942 1 1 1745 . 4 1 1 A 156 156 GLU N N 156 119.878 122.760 -2.882 1 1 1746 . 4 1 1 A 157 157 LYS H H 157 8.718 7.618 1.100 1 1 1747 . 4 1 1 A 157 157 LYS HA H 157 4.095 4.019 0.076 1 1 1756 . 4 1 1 A 157 157 LYS C C 157 176.152 175.389 0.763 1 1 1757 . 4 1 1 A 157 157 LYS CA C 157 60.398 61.290 -0.892 1 1 1758 . 4 1 1 A 157 157 LYS CB C 157 30.595 30.810 -0.215 1 1 1762 . 4 1 1 A 157 157 LYS N N 157 121.167 119.483 1.684 1 1 1763 . 4 1 1 A 158 158 PRO HA H 158 3.116 3.917 -0.801 1 1 1770 . 4 1 1 A 158 158 PRO C C 158 177.853 179.405 -1.552 1 1 1771 . 4 1 1 A 158 158 PRO CA C 158 65.319 65.028 0.291 1 1 1772 . 4 1 1 A 158 158 PRO CB C 158 30.595 30.442 0.153 1 1 1775 . 4 1 1 A 159 159 ILE H H 159 6.215 7.207 -0.992 1 1 1776 . 4 1 1 A 159 159 ILE HA H 159 3.594 3.896 -0.302 1 1 1786 . 4 1 1 A 159 159 ILE C C 159 177.610 177.609 0.001 1 1 1787 . 4 1 1 A 159 159 ILE CA C 159 62.312 64.400 -2.088 1 1 1788 . 4 1 1 A 159 159 ILE CB C 159 35.516 38.302 -2.786 1 1 1792 . 4 1 1 A 159 159 ILE N N 159 113.948 116.527 -2.579 1 1 1793 . 4 1 1 A 160 160 GLU H H 160 7.572 8.854 -1.282 1 1 1794 . 4 1 1 A 160 160 GLU HA H 160 3.876 4.036 -0.160 1 1 1799 . 4 1 1 A 160 160 GLU C C 160 179.277 178.782 0.495 1 1 1800 . 4 1 1 A 160 160 GLU CA C 160 59.304 59.271 0.033 1 1 1801 . 4 1 1 A 160 160 GLU CB C 160 29.774 28.843 0.931 1 1 1803 . 4 1 1 A 160 160 GLU N N 160 119.104 119.958 -0.854 1 1 1804 . 4 1 1 A 161 161 ALA H H 161 7.902 8.102 -0.200 1 1 1805 . 4 1 1 A 161 161 ALA HA H 161 4.137 4.190 -0.053 1 1 1809 . 4 1 1 A 161 161 ALA C C 161 179.485 179.852 -0.367 1 1 1810 . 4 1 1 A 161 161 ALA CA C 161 54.656 55.056 -0.400 1 1 1811 . 4 1 1 A 161 161 ALA CB C 161 18.017 18.097 -0.080 1 1 1812 . 4 1 1 A 161 161 ALA N N 161 120.393 122.390 -1.997 1 1 1813 . 4 1 1 A 162 162 ALA H H 162 7.734 7.984 -0.250 1 1 1814 . 4 1 1 A 162 162 ALA HA H 162 3.950 4.119 -0.169 1 1 1818 . 4 1 1 A 162 162 ALA C C 162 179.485 179.500 -0.015 1 1 1819 . 4 1 1 A 162 162 ALA CA C 162 54.656 55.230 -0.574 1 1 1820 . 4 1 1 A 162 162 ALA CB C 162 19.111 18.167 0.944 1 1 1821 . 4 1 1 A 162 162 ALA N N 162 118.202 121.006 -2.804 1 1 1822 . 4 1 1 A 163 163 LYS H H 163 8.760 8.315 0.445 1 1 1823 . 4 1 1 A 163 163 LYS HA H 163 3.842 4.053 -0.211 1 1 1832 . 4 1 1 A 163 163 LYS C C 163 178.201 178.709 -0.508 1 1 1833 . 4 1 1 A 163 163 LYS CA C 163 59.578 58.900 0.678 1 1 1834 . 4 1 1 A 163 163 LYS CB C 163 32.782 31.768 1.014 1 1 1838 . 4 1 1 A 163 163 LYS N N 163 118.202 116.527 1.675 1 1 1839 . 4 1 1 A 164 164 ALA H H 164 7.216 8.402 -1.186 1 1 1840 . 4 1 1 A 164 164 ALA HA H 164 4.215 4.117 0.098 1 1 1844 . 4 1 1 A 164 164 ALA C C 164 178.339 180.558 -2.219 1 1 1845 . 4 1 1 A 164 164 ALA CA C 164 53.836 54.920 -1.084 1 1 1846 . 4 1 1 A 164 164 ALA CB C 164 18.291 18.354 -0.063 1 1 1847 . 4 1 1 A 164 164 ALA N N 164 117.557 122.017 -4.460 1 1 1848 . 4 1 1 A 165 165 LEU H H 165 7.503 8.172 -0.669 1 1 1849 . 4 1 1 A 165 165 LEU HA H 165 4.432 4.081 0.351 1 1 1859 . 4 1 1 A 165 165 LEU C C 165 177.714 179.149 -1.435 1 1 1860 . 4 1 1 A 165 165 LEU CA C 165 54.929 57.811 -2.882 1 1 1861 . 4 1 1 A 165 165 LEU CB C 165 44.256 41.935 2.321 1 1 1865 . 4 1 1 A 165 165 LEU N N 165 115.753 120.270 -4.517 1 1 1866 . 4 1 1 A 166 166 VAL H H 166 7.337 7.982 -0.645 1 1 1867 . 4 1 1 A 166 166 VAL HA H 166 4.103 3.549 0.554 1 1 1875 . 4 1 1 A 166 166 VAL C C 166 175.040 178.042 -3.002 1 1 1876 . 4 1 1 A 166 166 VAL CA C 166 62.859 66.669 -3.810 1 1 1877 . 4 1 1 A 166 166 VAL CB C 166 32.509 31.727 0.782 1 1 1880 . 4 1 1 A 166 166 VAL N N 166 118.589 118.329 0.260 1 1 1 . 5 1 1 A 2 2 ALA HA H 2 3.876 4.707 -0.831 1 1 5 . 5 1 1 A 2 2 ALA C C 2 172.590 176.873 -4.283 1 1 6 . 5 1 1 A 2 2 ALA CA C 2 51.922 50.680 1.242 1 1 7 . 5 1 1 A 2 2 ALA CB C 2 18.924 19.315 -0.391 1 1 8 . 5 1 1 A 3 3 GLU H H 3 8.262 7.550 0.712 1 1 9 . 5 1 1 A 3 3 GLU HA H 3 4.641 4.205 0.436 1 1 14 . 5 1 1 A 3 3 GLU C C 3 175.157 175.830 -0.673 1 1 15 . 5 1 1 A 3 3 GLU CA C 3 55.476 56.580 -1.104 1 1 16 . 5 1 1 A 3 3 GLU CB C 3 31.142 30.668 0.474 1 1 18 . 5 1 1 A 3 3 GLU N N 3 121.167 119.580 1.587 1 1 19 . 5 1 1 A 4 4 ILE H H 4 9.053 8.607 0.446 1 1 20 . 5 1 1 A 4 4 ILE HA H 4 5.361 5.103 0.258 1 1 30 . 5 1 1 A 4 4 ILE C C 4 175.817 174.926 0.891 1 1 31 . 5 1 1 A 4 4 ILE CA C 4 59.304 59.046 0.258 1 1 32 . 5 1 1 A 4 4 ILE CB C 4 42.079 42.622 -0.543 1 1 36 . 5 1 1 A 4 4 ILE N N 4 124.776 120.633 4.143 1 1 37 . 5 1 1 A 5 5 THR H H 5 8.977 8.404 0.573 1 1 38 . 5 1 1 A 5 5 THR HA H 5 5.141 5.389 -0.248 1 1 43 . 5 1 1 A 5 5 THR C C 5 173.483 173.711 -0.228 1 1 44 . 5 1 1 A 5 5 THR CA C 5 59.304 61.104 -1.800 1 1 45 . 5 1 1 A 5 5 THR CB C 5 73.249 71.817 1.432 1 1 47 . 5 1 1 A 5 5 THR N N 5 112.659 115.482 -2.823 1 1 48 . 5 1 1 A 6 6 PHE H H 6 9.173 9.168 0.005 1 1 49 . 5 1 1 A 6 6 PHE HA H 6 4.866 4.677 0.189 1 1 53 . 5 1 1 A 6 6 PHE C C 6 175.591 175.562 0.029 1 1 54 . 5 1 1 A 6 6 PHE CA C 6 58.054 58.807 -0.753 1 1 55 . 5 1 1 A 6 6 PHE CB C 6 42.625 39.779 2.846 1 1 56 . 5 1 1 A 6 6 PHE N N 6 119.362 125.264 -5.902 1 1 57 . 5 1 1 A 7 7 LYS H H 7 11.130 8.553 2.577 1 1 58 . 5 1 1 A 7 7 LYS HA H 7 3.567 4.470 -0.903 1 1 67 . 5 1 1 A 7 7 LYS C C 7 177.661 176.648 1.013 1 1 68 . 5 1 1 A 7 7 LYS CA C 7 57.390 56.152 1.238 1 1 69 . 5 1 1 A 7 7 LYS CB C 7 29.222 31.945 -2.723 1 1 73 . 5 1 1 A 7 7 LYS N N 7 134.058 119.281 14.777 1 1 74 . 5 1 1 A 8 8 GLY H H 8 8.965 8.370 0.595 1 1 75 . 5 1 1 A 8 8 GLY HA2 H 8 4.244 3.943 0.301 1 1 76 . 5 1 1 A 8 8 GLY HA3 H 8 3.528 3.944 -0.416 1 1 77 . 5 1 1 A 8 8 GLY C C 8 173.822 174.185 -0.363 1 1 78 . 5 1 1 A 8 8 GLY CA C 8 45.360 46.416 -1.056 1 1 79 . 5 1 1 A 8 8 GLY N N 8 104.280 108.734 -4.454 1 1 80 . 5 1 1 A 9 9 GLY H H 9 7.942 7.823 0.119 1 1 81 . 5 1 1 A 9 9 GLY HA2 H 9 4.815 4.109 0.706 1 1 82 . 5 1 1 A 9 9 GLY HA3 H 9 3.715 4.112 -0.397 1 1 83 . 5 1 1 A 9 9 GLY C C 9 171.262 171.803 -0.541 1 1 84 . 5 1 1 A 9 9 GLY CA C 9 43.172 44.944 -1.772 1 1 85 . 5 1 1 A 9 9 GLY N N 9 109.823 107.603 2.220 1 1 86 . 5 1 1 A 10 10 PRO HA H 10 4.640 5.014 -0.374 1 1 93 . 5 1 1 A 10 10 PRO C C 10 177.097 176.225 0.872 1 1 94 . 5 1 1 A 10 10 PRO CA C 10 63.952 62.730 1.222 1 1 95 . 5 1 1 A 10 10 PRO CB C 10 32.509 32.550 -0.041 1 1 98 . 5 1 1 A 11 11 VAL H H 11 7.770 8.673 -0.903 1 1 99 . 5 1 1 A 11 11 VAL HA H 11 4.632 4.859 -0.227 1 1 107 . 5 1 1 A 11 11 VAL C C 11 174.462 174.325 0.137 1 1 108 . 5 1 1 A 11 11 VAL CA C 11 59.304 59.437 -0.133 1 1 109 . 5 1 1 A 11 11 VAL CB C 11 35.516 35.633 -0.117 1 1 112 . 5 1 1 A 11 11 VAL N N 11 115.495 116.163 -0.668 1 1 113 . 5 1 1 A 12 12 THR H H 12 10.773 8.985 1.788 1 1 114 . 5 1 1 A 12 12 THR HA H 12 4.425 4.567 -0.142 1 1 119 . 5 1 1 A 12 12 THR C C 12 173.505 173.785 -0.280 1 1 120 . 5 1 1 A 12 12 THR CA C 12 62.312 61.922 0.390 1 1 121 . 5 1 1 A 12 12 THR CB C 12 69.694 69.945 -0.251 1 1 123 . 5 1 1 A 12 12 THR N N 12 121.940 120.358 1.582 1 1 124 . 5 1 1 A 13 13 LEU H H 13 8.524 8.510 0.014 1 1 125 . 5 1 1 A 13 13 LEU HA H 13 5.132 4.991 0.141 1 1 135 . 5 1 1 A 13 13 LEU C C 13 177.285 176.359 0.926 1 1 136 . 5 1 1 A 13 13 LEU CA C 13 53.289 53.582 -0.293 1 1 137 . 5 1 1 A 13 13 LEU CB C 13 42.352 44.912 -2.560 1 1 141 . 5 1 1 A 13 13 LEU N N 13 125.550 123.852 1.698 1 1 142 . 5 1 1 A 14 14 VAL H H 14 8.962 8.430 0.532 1 1 143 . 5 1 1 A 14 14 VAL HA H 14 3.859 3.854 0.005 1 1 151 . 5 1 1 A 14 14 VAL C C 14 174.604 177.575 -2.971 1 1 152 . 5 1 1 A 14 14 VAL CA C 14 62.312 65.617 -3.305 1 1 153 . 5 1 1 A 14 14 VAL CB C 14 32.509 31.727 0.782 1 1 156 . 5 1 1 A 14 14 VAL N N 14 126.968 122.498 4.470 1 1 157 . 5 1 1 A 15 15 GLY H H 15 7.838 8.032 -0.194 1 1 158 . 5 1 1 A 15 15 GLY HA2 H 15 5.132 3.859 1.273 1 1 159 . 5 1 1 A 15 15 GLY HA3 H 15 3.730 3.868 -0.138 1 1 160 . 5 1 1 A 15 15 GLY C C 15 174.542 174.192 0.350 1 1 161 . 5 1 1 A 15 15 GLY CA C 15 43.446 46.080 -2.634 1 1 162 . 5 1 1 A 15 15 GLY N N 15 110.596 108.158 2.438 1 1 163 . 5 1 1 A 16 16 GLN H H 16 8.247 7.723 0.524 1 1 164 . 5 1 1 A 16 16 GLN HA H 16 4.347 4.157 0.190 1 1 171 . 5 1 1 A 16 16 GLN C C 16 174.876 175.758 -0.882 1 1 172 . 5 1 1 A 16 16 GLN CA C 16 54.656 55.562 -0.906 1 1 173 . 5 1 1 A 16 16 GLN CB C 16 30.321 29.345 0.976 1 1 175 . 5 1 1 A 16 16 GLN N N 16 120.522 118.652 1.870 1 1 177 . 5 1 1 A 17 17 GLU H H 17 8.149 8.440 -0.291 1 1 178 . 5 1 1 A 17 17 GLU HA H 17 3.938 3.839 0.099 1 1 183 . 5 1 1 A 17 17 GLU C C 17 176.607 175.605 1.002 1 1 184 . 5 1 1 A 17 17 GLU CA C 17 57.117 57.479 -0.362 1 1 185 . 5 1 1 A 17 17 GLU CB C 17 30.321 28.930 1.391 1 1 187 . 5 1 1 A 17 17 GLU N N 17 123.616 119.822 3.794 1 1 188 . 5 1 1 A 18 18 VAL H H 18 8.605 8.228 0.377 1 1 189 . 5 1 1 A 18 18 VAL HA H 18 4.047 3.956 0.091 1 1 197 . 5 1 1 A 18 18 VAL C C 18 174.386 175.876 -1.490 1 1 198 . 5 1 1 A 18 18 VAL CA C 18 61.765 63.584 -1.819 1 1 199 . 5 1 1 A 18 18 VAL CB C 18 32.782 31.773 1.009 1 1 202 . 5 1 1 A 18 18 VAL N N 18 125.936 120.132 5.804 1 1 203 . 5 1 1 A 19 19 LYS H H 19 8.461 8.697 -0.236 1 1 204 . 5 1 1 A 19 19 LYS HA H 19 4.624 4.927 -0.303 1 1 213 . 5 1 1 A 19 19 LYS C C 19 176.457 174.809 1.648 1 1 214 . 5 1 1 A 19 19 LYS CA C 19 53.562 54.574 -1.012 1 1 215 . 5 1 1 A 19 19 LYS CB C 19 34.423 35.979 -1.556 1 1 219 . 5 1 1 A 19 19 LYS N N 19 123.874 123.143 0.731 1 1 220 . 5 1 1 A 20 20 VAL H H 20 8.349 8.464 -0.115 1 1 221 . 5 1 1 A 20 20 VAL HA H 20 3.421 3.838 -0.417 1 1 229 . 5 1 1 A 20 20 VAL C C 20 177.624 176.981 0.643 1 1 230 . 5 1 1 A 20 20 VAL CA C 20 65.593 63.441 2.152 1 1 231 . 5 1 1 A 20 20 VAL CB C 20 31.415 31.585 -0.170 1 1 234 . 5 1 1 A 20 20 VAL N N 20 120.393 122.299 -1.906 1 1 235 . 5 1 1 A 21 21 GLY H H 21 9.338 9.270 0.068 1 1 236 . 5 1 1 A 21 21 GLY HA2 H 21 4.566 4.044 0.522 1 1 237 . 5 1 1 A 21 21 GLY HA3 H 21 3.536 4.053 -0.517 1 1 238 . 5 1 1 A 21 21 GLY C C 21 174.160 174.436 -0.276 1 1 239 . 5 1 1 A 21 21 GLY CA C 21 44.539 45.570 -1.031 1 1 240 . 5 1 1 A 21 21 GLY N N 21 117.429 117.502 -0.073 1 1 241 . 5 1 1 A 22 22 ASP H H 22 8.222 8.042 0.180 1 1 242 . 5 1 1 A 22 22 ASP HA H 22 4.650 4.629 0.021 1 1 245 . 5 1 1 A 22 22 ASP C C 22 176.231 175.770 0.461 1 1 246 . 5 1 1 A 22 22 ASP CA C 22 54.382 54.497 -0.115 1 1 247 . 5 1 1 A 22 22 ASP CB C 22 40.985 41.464 -0.479 1 1 248 . 5 1 1 A 22 22 ASP N N 22 121.811 121.540 0.271 1 1 249 . 5 1 1 A 23 23 GLN H H 23 8.598 8.043 0.555 1 1 250 . 5 1 1 A 23 23 GLN HA H 23 4.224 4.375 -0.151 1 1 257 . 5 1 1 A 23 23 GLN C C 23 175.892 174.819 1.073 1 1 258 . 5 1 1 A 23 23 GLN CA C 23 55.203 58.274 -3.071 1 1 259 . 5 1 1 A 23 23 GLN CB C 23 28.954 27.842 1.112 1 1 261 . 5 1 1 A 23 23 GLN N N 23 119.491 117.134 2.357 1 1 263 . 5 1 1 A 24 24 ALA H H 24 8.664 8.454 0.210 1 1 264 . 5 1 1 A 24 24 ALA HA H 24 4.030 4.777 -0.747 1 1 268 . 5 1 1 A 24 24 ALA C C 24 174.386 176.937 -2.551 1 1 269 . 5 1 1 A 24 24 ALA CA C 24 51.101 49.090 2.011 1 1 270 . 5 1 1 A 24 24 ALA CB C 24 19.111 21.247 -2.136 1 1 271 . 5 1 1 A 24 24 ALA N N 24 129.804 122.724 7.080 1 1 272 . 5 1 1 A 25 25 PRO HA H 25 4.422 4.453 -0.031 1 1 279 . 5 1 1 A 25 25 PRO C C 25 173.596 177.278 -3.682 1 1 280 . 5 1 1 A 25 25 PRO CA C 25 61.765 64.078 -2.313 1 1 281 . 5 1 1 A 25 25 PRO CB C 25 32.509 32.075 0.434 1 1 284 . 5 1 1 A 26 26 ASP H H 26 7.546 8.355 -0.809 1 1 285 . 5 1 1 A 26 26 ASP HA H 26 4.411 4.373 0.038 1 1 288 . 5 1 1 A 26 26 ASP C C 26 175.591 174.214 1.377 1 1 289 . 5 1 1 A 26 26 ASP CA C 26 54.656 54.840 -0.184 1 1 290 . 5 1 1 A 26 26 ASP CB C 26 42.625 39.392 3.233 1 1 291 . 5 1 1 A 26 26 ASP N N 26 114.979 119.191 -4.212 1 1 292 . 5 1 1 A 27 27 PHE H H 27 7.379 7.815 -0.436 1 1 293 . 5 1 1 A 27 27 PHE HA H 27 4.659 5.563 -0.904 1 1 295 . 5 1 1 A 27 27 PHE C C 27 173.407 172.907 0.500 1 1 296 . 5 1 1 A 27 27 PHE CA C 27 56.570 55.595 0.975 1 1 297 . 5 1 1 A 27 27 PHE CB C 27 39.891 41.898 -2.007 1 1 298 . 5 1 1 A 27 27 PHE N N 27 113.561 120.721 -7.160 1 1 299 . 5 1 1 A 28 28 THR H H 28 8.540 9.039 -0.499 1 1 300 . 5 1 1 A 28 28 THR HA H 28 4.936 5.005 -0.069 1 1 305 . 5 1 1 A 28 28 THR C C 28 173.443 174.257 -0.814 1 1 306 . 5 1 1 A 28 28 THR CA C 28 62.889 61.843 1.046 1 1 307 . 5 1 1 A 28 28 THR CB C 28 72.155 71.396 0.759 1 1 309 . 5 1 1 A 28 28 THR N N 28 114.593 115.667 -1.074 1 1 310 . 5 1 1 A 29 29 VAL H H 29 9.120 9.172 -0.052 1 1 311 . 5 1 1 A 29 29 VAL HA H 29 4.863 5.084 -0.221 1 1 319 . 5 1 1 A 29 29 VAL C C 29 173.558 173.386 0.172 1 1 320 . 5 1 1 A 29 29 VAL CA C 29 59.527 59.353 0.174 1 1 321 . 5 1 1 A 29 29 VAL CB C 29 35.243 36.381 -1.138 1 1 324 . 5 1 1 A 29 29 VAL N N 29 119.233 117.083 2.150 1 1 325 . 5 1 1 A 30 30 LEU H H 30 8.565 8.966 -0.401 1 1 326 . 5 1 1 A 30 30 LEU HA H 30 5.615 5.299 0.316 1 1 336 . 5 1 1 A 30 30 LEU C C 30 180.310 176.158 4.152 1 1 337 . 5 1 1 A 30 30 LEU CA C 30 53.562 53.673 -0.111 1 1 338 . 5 1 1 A 30 30 LEU CB C 30 47.547 45.786 1.761 1 1 342 . 5 1 1 A 30 30 LEU N N 30 117.429 123.920 -6.491 1 1 343 . 5 1 1 A 31 31 THR H H 31 9.587 9.001 0.586 1 1 344 . 5 1 1 A 31 31 THR HA H 31 4.741 4.583 0.158 1 1 349 . 5 1 1 A 31 31 THR C C 31 176.457 175.563 0.894 1 1 350 . 5 1 1 A 31 31 THR CA C 31 60.632 60.627 0.005 1 1 351 . 5 1 1 A 31 31 THR CB C 31 71.451 71.258 0.193 1 1 353 . 5 1 1 A 31 31 THR N N 31 114.721 115.093 -0.372 1 1 354 . 5 1 1 A 32 32 ASN H H 32 9.812 9.096 0.716 1 1 355 . 5 1 1 A 32 32 ASN HA H 32 4.352 4.544 -0.192 1 1 358 . 5 1 1 A 32 32 ASN C C 32 175.252 176.679 -1.427 1 1 359 . 5 1 1 A 32 32 ASN CA C 32 55.476 55.390 0.086 1 1 360 . 5 1 1 A 32 32 ASN CB C 32 38.524 38.624 -0.100 1 1 361 . 5 1 1 A 32 32 ASN N N 32 118.460 121.086 -2.626 1 1 362 . 5 1 1 A 33 33 SER H H 33 7.782 7.831 -0.049 1 1 363 . 5 1 1 A 33 33 SER HA H 33 4.562 4.566 -0.004 1 1 366 . 5 1 1 A 33 33 SER C C 33 173.822 173.422 0.400 1 1 367 . 5 1 1 A 33 33 SER CA C 33 57.390 58.395 -1.005 1 1 368 . 5 1 1 A 33 33 SER CB C 33 62.859 63.392 -0.533 1 1 369 . 5 1 1 A 33 33 SER N N 33 110.725 112.685 -1.960 1 1 370 . 5 1 1 A 34 34 LEU H H 34 8.342 8.099 0.243 1 1 371 . 5 1 1 A 34 34 LEU HA H 34 3.686 3.828 -0.142 1 1 381 . 5 1 1 A 34 34 LEU C C 34 175.516 175.222 0.294 1 1 382 . 5 1 1 A 34 34 LEU CA C 34 57.117 56.274 0.843 1 1 383 . 5 1 1 A 34 34 LEU CB C 34 37.430 39.976 -2.546 1 1 387 . 5 1 1 A 34 34 LEU N N 34 116.913 119.734 -2.821 1 1 388 . 5 1 1 A 35 35 GLU H H 35 7.538 7.678 -0.140 1 1 389 . 5 1 1 A 35 35 GLU HA H 35 4.546 4.820 -0.274 1 1 394 . 5 1 1 A 35 35 GLU C C 35 176.005 175.453 0.552 1 1 395 . 5 1 1 A 35 35 GLU CA C 35 54.929 54.764 0.165 1 1 396 . 5 1 1 A 35 35 GLU CB C 35 30.868 32.427 -1.559 1 1 398 . 5 1 1 A 35 35 GLU N N 35 117.429 116.881 0.548 1 1 399 . 5 1 1 A 36 36 GLU H H 36 8.681 8.591 0.090 1 1 400 . 5 1 1 A 36 36 GLU HA H 36 4.740 4.694 0.046 1 1 405 . 5 1 1 A 36 36 GLU C C 36 176.833 175.873 0.960 1 1 406 . 5 1 1 A 36 36 GLU CA C 36 56.923 57.183 -0.260 1 1 407 . 5 1 1 A 36 36 GLU CB C 36 30.868 30.330 0.538 1 1 409 . 5 1 1 A 36 36 GLU N N 36 121.296 122.271 -0.975 1 1 410 . 5 1 1 A 37 37 LYS H H 37 9.122 8.497 0.625 1 1 411 . 5 1 1 A 37 37 LYS HA H 37 4.639 4.924 -0.285 1 1 420 . 5 1 1 A 37 37 LYS C C 37 173.671 173.898 -0.227 1 1 421 . 5 1 1 A 37 37 LYS CA C 37 55.476 55.416 0.060 1 1 422 . 5 1 1 A 37 37 LYS CB C 37 35.243 36.532 -1.289 1 1 426 . 5 1 1 A 37 37 LYS N N 37 125.292 123.206 2.086 1 1 427 . 5 1 1 A 38 38 SER H H 38 9.337 8.489 0.848 1 1 428 . 5 1 1 A 38 38 SER HA H 38 5.310 4.908 0.402 1 1 431 . 5 1 1 A 38 38 SER C C 38 175.102 174.268 0.834 1 1 432 . 5 1 1 A 38 38 SER CA C 38 56.296 57.103 -0.807 1 1 433 . 5 1 1 A 38 38 SER CB C 38 67.233 67.242 -0.009 1 1 434 . 5 1 1 A 38 38 SER N N 38 121.811 117.845 3.966 1 1 435 . 5 1 1 A 39 39 LEU H H 39 7.023 8.306 -1.283 1 1 436 . 5 1 1 A 39 39 LEU HA H 39 3.872 3.676 0.196 1 1 446 . 5 1 1 A 39 39 LEU C C 39 179.845 178.246 1.599 1 1 447 . 5 1 1 A 39 39 LEU CA C 39 58.210 58.076 0.134 1 1 448 . 5 1 1 A 39 39 LEU CB C 39 40.711 40.749 -0.038 1 1 452 . 5 1 1 A 39 39 LEU N N 39 121.811 126.866 -5.055 1 1 453 . 5 1 1 A 40 40 ALA H H 40 8.447 8.029 0.418 1 1 454 . 5 1 1 A 40 40 ALA HA H 40 3.890 3.985 -0.095 1 1 458 . 5 1 1 A 40 40 ALA C C 40 179.995 179.746 0.249 1 1 459 . 5 1 1 A 40 40 ALA CA C 40 55.203 54.632 0.571 1 1 460 . 5 1 1 A 40 40 ALA CB C 40 18.291 18.133 0.158 1 1 461 . 5 1 1 A 40 40 ALA N N 40 119.362 119.369 -0.007 1 1 462 . 5 1 1 A 41 41 ASP H H 41 7.517 8.079 -0.562 1 1 463 . 5 1 1 A 41 41 ASP HA H 41 4.469 4.319 0.150 1 1 466 . 5 1 1 A 41 41 ASP C C 41 176.720 178.598 -1.878 1 1 467 . 5 1 1 A 41 41 ASP CA C 41 56.296 56.759 -0.463 1 1 468 . 5 1 1 A 41 41 ASP CB C 41 42.079 40.691 1.388 1 1 469 . 5 1 1 A 41 41 ASP N N 41 114.850 118.820 -3.970 1 1 470 . 5 1 1 A 42 42 MET H H 42 7.989 7.968 0.021 1 1 471 . 5 1 1 A 42 42 MET HA H 42 4.336 4.424 -0.088 1 1 479 . 5 1 1 A 42 42 MET C C 42 175.440 177.170 -1.730 1 1 480 . 5 1 1 A 42 42 MET CA C 42 56.843 58.186 -1.343 1 1 481 . 5 1 1 A 42 42 MET CB C 42 31.962 32.489 -0.527 1 1 484 . 5 1 1 A 42 42 MET N N 42 118.847 116.156 2.691 1 1 485 . 5 1 1 A 43 43 LYS H H 43 6.901 7.577 -0.676 1 1 486 . 5 1 1 A 43 43 LYS HA H 43 4.265 4.275 -0.010 1 1 494 . 5 1 1 A 43 43 LYS C C 43 177.435 177.470 -0.035 1 1 495 . 5 1 1 A 43 43 LYS CA C 43 57.664 58.668 -1.004 1 1 496 . 5 1 1 A 43 43 LYS CB C 43 33.329 32.371 0.958 1 1 500 . 5 1 1 A 43 43 LYS N N 43 116.913 119.569 -2.656 1 1 501 . 5 1 1 A 44 44 GLY H H 44 9.268 9.080 0.188 1 1 502 . 5 1 1 A 44 44 GLY HA2 H 44 3.692 4.039 -0.347 1 1 503 . 5 1 1 A 44 44 GLY HA3 H 44 4.596 4.040 0.556 1 1 504 . 5 1 1 A 44 44 GLY C C 44 173.671 173.365 0.306 1 1 505 . 5 1 1 A 44 44 GLY CA C 44 44.813 45.171 -0.358 1 1 506 . 5 1 1 A 44 44 GLY N N 44 111.112 112.443 -1.331 1 1 507 . 5 1 1 A 45 45 LYS H H 45 7.516 7.819 -0.303 1 1 508 . 5 1 1 A 45 45 LYS HA H 45 4.754 4.757 -0.003 1 1 515 . 5 1 1 A 45 45 LYS C C 45 175.214 174.648 0.566 1 1 516 . 5 1 1 A 45 45 LYS CA C 45 54.820 55.047 -0.227 1 1 517 . 5 1 1 A 45 45 LYS CB C 45 36.883 36.126 0.757 1 1 521 . 5 1 1 A 45 45 LYS N N 45 117.944 121.171 -3.227 1 1 522 . 5 1 1 A 46 46 VAL H H 46 8.887 8.595 0.292 1 1 523 . 5 1 1 A 46 46 VAL HA H 46 3.950 4.106 -0.156 1 1 531 . 5 1 1 A 46 46 VAL C C 46 174.876 175.405 -0.529 1 1 532 . 5 1 1 A 46 46 VAL CA C 46 64.773 63.319 1.454 1 1 533 . 5 1 1 A 46 46 VAL CB C 46 31.962 32.154 -0.192 1 1 536 . 5 1 1 A 46 46 VAL N N 46 124.776 124.476 0.300 1 1 537 . 5 1 1 A 47 47 THR H H 47 8.956 8.769 0.187 1 1 538 . 5 1 1 A 47 47 THR HA H 47 5.300 5.241 0.059 1 1 543 . 5 1 1 A 47 47 THR C C 47 172.579 173.597 -1.018 1 1 544 . 5 1 1 A 47 47 THR CA C 47 62.312 61.493 0.819 1 1 545 . 5 1 1 A 47 47 THR CB C 47 73.249 71.958 1.291 1 1 547 . 5 1 1 A 47 47 THR N N 47 124.132 122.183 1.949 1 1 548 . 5 1 1 A 48 48 ILE H H 48 9.160 8.853 0.307 1 1 549 . 5 1 1 A 48 48 ILE HA H 48 4.740 4.956 -0.216 1 1 559 . 5 1 1 A 48 48 ILE C C 48 173.972 175.131 -1.159 1 1 560 . 5 1 1 A 48 48 ILE CA C 48 61.441 60.266 1.175 1 1 561 . 5 1 1 A 48 48 ILE CB C 48 40.438 41.735 -1.297 1 1 565 . 5 1 1 A 48 48 ILE N N 48 128.515 124.583 3.932 1 1 566 . 5 1 1 A 49 49 ILE H H 49 9.507 9.166 0.341 1 1 567 . 5 1 1 A 49 49 ILE HA H 49 4.883 5.192 -0.309 1 1 577 . 5 1 1 A 49 49 ILE C C 49 174.650 174.591 0.059 1 1 578 . 5 1 1 A 49 49 ILE CA C 49 60.773 60.382 0.391 1 1 579 . 5 1 1 A 49 49 ILE CB C 49 41.532 41.354 0.178 1 1 583 . 5 1 1 A 49 49 ILE N N 49 126.194 127.661 -1.467 1 1 584 . 5 1 1 A 50 50 SER H H 50 9.079 9.057 0.022 1 1 585 . 5 1 1 A 50 50 SER HA H 50 5.138 5.269 -0.131 1 1 588 . 5 1 1 A 50 50 SER C C 50 172.692 173.198 -0.506 1 1 589 . 5 1 1 A 50 50 SER CA C 50 56.843 58.001 -1.158 1 1 590 . 5 1 1 A 50 50 SER CB C 50 64.773 64.885 -0.112 1 1 591 . 5 1 1 A 50 50 SER N N 50 121.940 123.775 -1.835 1 1 592 . 5 1 1 A 51 51 VAL H H 51 9.010 8.994 0.016 1 1 593 . 5 1 1 A 51 51 VAL HA H 51 4.873 5.113 -0.240 1 1 601 . 5 1 1 A 51 51 VAL CA C 51 61.595 61.069 0.526 1 1 602 . 5 1 1 A 51 51 VAL CB C 51 32.509 35.221 -2.712 1 1 605 . 5 1 1 A 51 51 VAL N N 51 128.128 123.287 4.841 1 1 606 . 5 1 1 A 52 52 ILE H H 52 8.182 8.743 -0.561 1 1 607 . 5 1 1 A 52 52 ILE HA H 52 4.862 4.774 0.088 1 1 616 . 5 1 1 A 52 52 ILE CA C 52 58.026 57.333 0.693 1 1 617 . 5 1 1 A 52 52 ILE CB C 52 43.172 40.270 2.902 1 1 621 . 5 1 1 A 52 52 ILE N N 52 124.776 123.088 1.688 1 1 622 . 5 1 1 A 53 53 PRO HA H 53 4.904 4.519 0.385 1 1 629 . 5 1 1 A 53 53 PRO CA C 53 65.560 65.000 0.560 1 1 630 . 5 1 1 A 53 53 PRO CB C 53 31.826 32.347 -0.521 1 1 633 . 5 1 1 A 54 54 SER H H 54 7.214 7.265 -0.051 1 1 634 . 5 1 1 A 54 54 SER HA H 54 5.100 4.995 0.105 1 1 637 . 5 1 1 A 54 54 SER CA C 54 57.417 57.452 -0.035 1 1 638 . 5 1 1 A 54 54 SER CB C 54 65.195 67.511 -2.316 1 1 639 . 5 1 1 A 54 54 SER N N 54 107.901 112.825 -4.924 1 1 640 . 5 1 1 A 55 55 ILE H H 55 7.330 8.944 -1.614 1 1 641 . 5 1 1 A 55 55 ILE HA H 55 5.075 4.048 1.027 1 1 651 . 5 1 1 A 55 55 ILE CA C 55 61.734 62.693 -0.959 1 1 652 . 5 1 1 A 55 55 ILE CB C 55 36.233 37.952 -1.719 1 1 656 . 5 1 1 A 56 56 ASP H H 56 8.699 8.155 0.544 1 1 657 . 5 1 1 A 56 56 ASP HA H 56 5.075 4.397 0.678 1 1 660 . 5 1 1 A 56 56 ASP CA C 56 54.407 56.577 -2.170 1 1 661 . 5 1 1 A 56 56 ASP CB C 56 42.832 41.330 1.502 1 1 662 . 5 1 1 A 56 56 ASP N N 56 121.940 121.366 0.574 1 1 663 . 5 1 1 A 57 57 THR H H 57 7.294 7.641 -0.347 1 1 664 . 5 1 1 A 57 57 THR HA H 57 4.323 4.286 0.037 1 1 669 . 5 1 1 A 57 57 THR C C 57 175.440 175.918 -0.478 1 1 670 . 5 1 1 A 57 57 THR CA C 57 61.765 61.935 -0.170 1 1 671 . 5 1 1 A 57 57 THR CB C 57 69.421 69.539 -0.118 1 1 673 . 5 1 1 A 57 57 THR N N 57 108.921 110.000 -1.079 1 1 674 . 5 1 1 A 58 58 GLY H H 58 8.215 8.896 -0.681 1 1 675 . 5 1 1 A 58 58 GLY HA2 H 58 4.012 3.824 0.188 1 1 676 . 5 1 1 A 58 58 GLY HA3 H 58 4.012 3.825 0.187 1 1 677 . 5 1 1 A 58 58 GLY C C 58 173.520 175.632 -2.112 1 1 678 . 5 1 1 A 58 58 GLY CA C 58 45.360 46.941 -1.581 1 1 679 . 5 1 1 A 58 58 GLY N N 58 110.969 111.034 -0.065 1 1 680 . 5 1 1 A 59 59 VAL H H 59 7.976 8.140 -0.164 1 1 681 . 5 1 1 A 59 59 VAL HA H 59 4.307 3.838 0.469 1 1 689 . 5 1 1 A 59 59 VAL C C 59 175.854 177.516 -1.662 1 1 690 . 5 1 1 A 59 59 VAL CA C 59 61.765 64.009 -2.244 1 1 691 . 5 1 1 A 59 59 VAL CB C 59 33.329 31.278 2.051 1 1 694 . 5 1 1 A 59 59 VAL N N 59 118.501 120.739 -2.238 1 1 696 . 5 1 1 A 61 61 ASP HA H 61 4.323 4.947 -0.624 1 1 697 . 5 1 1 A 61 61 ASP CA C 61 54.382 55.139 -0.757 1 1 698 . 5 1 1 A 61 61 ASP CB C 61 39.142 43.483 -4.341 1 1 699 . 5 1 1 A 62 62 ALA H H 62 8.663 8.320 0.343 1 1 700 . 5 1 1 A 62 62 ALA HA H 62 3.971 3.988 -0.017 1 1 704 . 5 1 1 A 62 62 ALA C C 62 180.485 177.810 2.675 1 1 705 . 5 1 1 A 62 62 ALA CA C 62 55.203 54.221 0.982 1 1 706 . 5 1 1 A 62 62 ALA CB C 62 18.838 18.510 0.328 1 1 707 . 5 1 1 A 63 63 GLN H H 63 8.550 7.322 1.228 1 1 708 . 5 1 1 A 63 63 GLN HA H 63 3.865 4.051 -0.186 1 1 715 . 5 1 1 A 63 63 GLN C C 63 178.527 176.764 1.763 1 1 716 . 5 1 1 A 63 63 GLN CA C 63 59.346 56.063 3.283 1 1 717 . 5 1 1 A 63 63 GLN CB C 63 28.635 30.408 -1.773 1 1 719 . 5 1 1 A 63 63 GLN N N 63 117.429 113.817 3.612 1 1 721 . 5 1 1 A 64 64 THR H H 64 8.121 7.937 0.184 1 1 722 . 5 1 1 A 64 64 THR HA H 64 3.624 3.825 -0.201 1 1 727 . 5 1 1 A 64 64 THR C C 64 178.527 176.199 2.328 1 1 728 . 5 1 1 A 64 64 THR CA C 64 66.686 67.054 -0.368 1 1 729 . 5 1 1 A 64 64 THR CB C 64 68.600 68.157 0.443 1 1 731 . 5 1 1 A 64 64 THR N N 64 118.460 116.779 1.681 1 1 732 . 5 1 1 A 65 65 ARG H H 65 7.530 7.752 -0.222 1 1 733 . 5 1 1 A 65 65 ARG HA H 65 3.904 3.983 -0.079 1 1 739 . 5 1 1 A 65 65 ARG CA C 65 59.507 59.929 -0.422 1 1 740 . 5 1 1 A 65 65 ARG CB C 65 29.637 29.799 -0.162 1 1 743 . 5 1 1 A 66 66 ARG H H 66 7.972 7.809 0.163 1 1 744 . 5 1 1 A 66 66 ARG HA H 66 4.056 3.952 0.104 1 1 751 . 5 1 1 A 66 66 ARG C C 66 177.624 178.280 -0.656 1 1 752 . 5 1 1 A 66 66 ARG CA C 66 59.031 58.747 0.284 1 1 753 . 5 1 1 A 66 66 ARG CB C 66 29.228 29.645 -0.417 1 1 756 . 5 1 1 A 66 66 ARG N N 66 118.460 119.188 -0.728 1 1 757 . 5 1 1 A 67 67 PHE H H 67 7.673 8.283 -0.610 1 1 758 . 5 1 1 A 67 67 PHE HA H 67 4.260 4.221 0.039 1 1 763 . 5 1 1 A 67 67 PHE C C 67 176.043 177.424 -1.381 1 1 764 . 5 1 1 A 67 67 PHE CA C 67 60.945 60.838 0.107 1 1 765 . 5 1 1 A 67 67 PHE CB C 67 39.071 38.945 0.126 1 1 766 . 5 1 1 A 67 67 PHE N N 67 119.362 120.313 -0.951 1 1 767 . 5 1 1 A 68 68 ASN H H 68 7.688 8.062 -0.374 1 1 768 . 5 1 1 A 68 68 ASN HA H 68 4.150 3.954 0.196 1 1 771 . 5 1 1 A 68 68 ASN C C 68 177.172 177.617 -0.445 1 1 772 . 5 1 1 A 68 68 ASN CA C 68 55.750 56.139 -0.389 1 1 773 . 5 1 1 A 68 68 ASN CB C 68 37.977 37.798 0.179 1 1 774 . 5 1 1 A 68 68 ASN N N 68 117.042 117.420 -0.378 1 1 775 . 5 1 1 A 69 69 GLU H H 69 8.185 8.588 -0.403 1 1 776 . 5 1 1 A 69 69 GLU HA H 69 3.848 3.944 -0.096 1 1 781 . 5 1 1 A 69 69 GLU C C 69 179.468 179.339 0.129 1 1 782 . 5 1 1 A 69 69 GLU CA C 69 59.577 59.673 -0.096 1 1 783 . 5 1 1 A 69 69 GLU CB C 69 30.321 29.176 1.145 1 1 785 . 5 1 1 A 69 69 GLU N N 69 118.975 119.129 -0.154 1 1 786 . 5 1 1 A 70 70 GLU H H 70 8.671 7.834 0.837 1 1 787 . 5 1 1 A 70 70 GLU HA H 70 3.807 3.976 -0.169 1 1 792 . 5 1 1 A 70 70 GLU C C 70 179.468 179.042 0.426 1 1 793 . 5 1 1 A 70 70 GLU CA C 70 58.757 58.843 -0.086 1 1 794 . 5 1 1 A 70 70 GLU CB C 70 29.501 29.747 -0.246 1 1 796 . 5 1 1 A 70 70 GLU N N 70 118.975 119.106 -0.131 1 1 797 . 5 1 1 A 71 71 ALA H H 71 8.418 8.139 0.279 1 1 798 . 5 1 1 A 71 71 ALA HA H 71 3.616 3.932 -0.316 1 1 802 . 5 1 1 A 71 71 ALA C C 71 178.226 180.312 -2.086 1 1 803 . 5 1 1 A 71 71 ALA CA C 71 54.656 54.789 -0.133 1 1 804 . 5 1 1 A 71 71 ALA CB C 71 18.017 17.607 0.410 1 1 805 . 5 1 1 A 71 71 ALA N N 71 122.069 122.945 -0.876 1 1 806 . 5 1 1 A 72 72 ALA H H 72 7.520 8.192 -0.672 1 1 807 . 5 1 1 A 72 72 ALA HA H 72 3.842 3.991 -0.149 1 1 811 . 5 1 1 A 72 72 ALA C C 72 179.280 178.004 1.276 1 1 812 . 5 1 1 A 72 72 ALA CA C 72 54.109 54.209 -0.100 1 1 813 . 5 1 1 A 72 72 ALA CB C 72 18.564 18.216 0.348 1 1 814 . 5 1 1 A 72 72 ALA N N 72 116.139 119.312 -3.173 1 1 815 . 5 1 1 A 73 73 LYS H H 73 7.302 7.710 -0.408 1 1 816 . 5 1 1 A 73 73 LYS HA H 73 4.129 4.366 -0.237 1 1 825 . 5 1 1 A 73 73 LYS C C 73 177.661 178.041 -0.380 1 1 826 . 5 1 1 A 73 73 LYS CA C 73 57.116 56.547 0.569 1 1 827 . 5 1 1 A 73 73 LYS CB C 73 32.782 33.028 -0.246 1 1 831 . 5 1 1 A 73 73 LYS N N 73 114.850 115.811 -0.961 1 1 832 . 5 1 1 A 74 74 LEU H H 74 7.398 7.450 -0.052 1 1 833 . 5 1 1 A 74 74 LEU HA H 74 3.983 4.027 -0.044 1 1 843 . 5 1 1 A 74 74 LEU C C 74 177.021 176.832 0.189 1 1 844 . 5 1 1 A 74 74 LEU CA C 74 56.843 57.070 -0.227 1 1 845 . 5 1 1 A 74 74 LEU CB C 74 42.625 42.517 0.108 1 1 849 . 5 1 1 A 74 74 LEU N N 74 118.460 119.460 -1.000 1 1 850 . 5 1 1 A 75 75 GLY H H 75 7.174 7.228 -0.054 1 1 851 . 5 1 1 A 75 75 GLY HA2 H 75 4.215 4.058 0.157 1 1 852 . 5 1 1 A 75 75 GLY HA3 H 75 3.630 4.059 -0.429 1 1 853 . 5 1 1 A 75 75 GLY C C 75 172.805 173.560 -0.755 1 1 854 . 5 1 1 A 75 75 GLY CA C 75 45.360 45.589 -0.229 1 1 855 . 5 1 1 A 75 75 GLY N N 75 102.991 104.366 -1.375 1 1 856 . 5 1 1 A 76 76 ASP H H 76 8.825 8.568 0.257 1 1 857 . 5 1 1 A 76 76 ASP HA H 76 4.766 4.705 0.061 1 1 860 . 5 1 1 A 76 76 ASP C C 76 173.749 175.479 -1.730 1 1 861 . 5 1 1 A 76 76 ASP CA C 76 53.708 53.742 -0.034 1 1 862 . 5 1 1 A 76 76 ASP CB C 76 39.071 40.514 -1.443 1 1 863 . 5 1 1 A 76 76 ASP N N 76 126.839 120.722 6.117 1 1 864 . 5 1 1 A 77 77 VAL H H 77 7.511 7.423 0.088 1 1 865 . 5 1 1 A 77 77 VAL HA H 77 4.772 4.034 0.738 1 1 873 . 5 1 1 A 77 77 VAL C C 77 175.629 175.766 -0.137 1 1 874 . 5 1 1 A 77 77 VAL CA C 77 58.959 62.051 -3.092 1 1 875 . 5 1 1 A 77 77 VAL CB C 77 34.970 32.573 2.397 1 1 878 . 5 1 1 A 77 77 VAL N N 77 115.615 117.697 -2.082 1 1 879 . 5 1 1 A 78 78 ASN H H 78 8.822 8.744 0.078 1 1 880 . 5 1 1 A 78 78 ASN HA H 78 4.820 4.789 0.031 1 1 885 . 5 1 1 A 78 78 ASN C C 78 174.047 174.939 -0.892 1 1 886 . 5 1 1 A 78 78 ASN CA C 78 52.085 53.551 -1.466 1 1 887 . 5 1 1 A 78 78 ASN CB C 78 40.438 38.963 1.475 1 1 888 . 5 1 1 A 78 78 ASN N N 78 120.393 122.124 -1.731 1 1 890 . 5 1 1 A 79 79 VAL H H 79 8.044 8.376 -0.332 1 1 891 . 5 1 1 A 79 79 VAL HA H 79 4.669 4.922 -0.253 1 1 899 . 5 1 1 A 79 79 VAL C C 79 174.123 173.390 0.733 1 1 900 . 5 1 1 A 79 79 VAL CA C 79 61.491 59.772 1.719 1 1 901 . 5 1 1 A 79 79 VAL CB C 79 33.329 34.812 -1.483 1 1 904 . 5 1 1 A 79 79 VAL N N 79 122.456 117.138 5.318 1 1 905 . 5 1 1 A 80 80 TYR H H 80 8.944 8.782 0.162 1 1 906 . 5 1 1 A 80 80 TYR HA H 80 6.170 5.309 0.861 1 1 911 . 5 1 1 A 80 80 TYR C C 80 177.210 175.290 1.920 1 1 912 . 5 1 1 A 80 80 TYR CA C 80 54.929 55.948 -1.019 1 1 913 . 5 1 1 A 80 80 TYR CB C 80 42.899 42.890 0.009 1 1 914 . 5 1 1 A 80 80 TYR N N 80 123.229 123.938 -0.709 1 1 915 . 5 1 1 A 81 81 THR H H 81 8.465 8.711 -0.246 1 1 916 . 5 1 1 A 81 81 THR HA H 81 5.652 5.397 0.255 1 1 921 . 5 1 1 A 81 81 THR C C 81 172.880 173.037 -0.157 1 1 922 . 5 1 1 A 81 81 THR CA C 81 62.038 61.527 0.511 1 1 923 . 5 1 1 A 81 81 THR CB C 81 71.608 71.363 0.245 1 1 925 . 5 1 1 A 81 81 THR N N 81 119.491 115.766 3.725 1 1 926 . 5 1 1 A 82 82 ILE H H 82 8.958 9.361 -0.403 1 1 927 . 5 1 1 A 82 82 ILE HA H 82 5.145 4.996 0.149 1 1 937 . 5 1 1 A 82 82 ILE C C 82 174.123 174.900 -0.777 1 1 938 . 5 1 1 A 82 82 ILE CA C 82 59.847 60.160 -0.313 1 1 939 . 5 1 1 A 82 82 ILE CB C 82 39.618 39.867 -0.249 1 1 943 . 5 1 1 A 82 82 ILE N N 82 125.550 129.484 -3.934 1 1 944 . 5 1 1 A 83 83 SER H H 83 7.731 8.637 -0.906 1 1 945 . 5 1 1 A 83 83 SER HA H 83 4.909 5.260 -0.351 1 1 948 . 5 1 1 A 83 83 SER C C 83 173.182 173.101 0.081 1 1 949 . 5 1 1 A 83 83 SER CA C 83 57.034 57.837 -0.803 1 1 950 . 5 1 1 A 83 83 SER CB C 83 68.054 67.414 0.640 1 1 951 . 5 1 1 A 83 83 SER N N 83 117.171 120.946 -3.775 1 1 952 . 5 1 1 A 84 84 ALA H H 84 9.548 8.313 1.235 1 1 953 . 5 1 1 A 84 84 ALA HA H 84 4.177 4.619 -0.442 1 1 957 . 5 1 1 A 84 84 ALA C C 84 175.290 177.952 -2.662 1 1 958 . 5 1 1 A 84 84 ALA CA C 84 51.922 50.936 0.986 1 1 959 . 5 1 1 A 84 84 ALA CB C 84 19.111 20.300 -1.189 1 1 960 . 5 1 1 A 84 84 ALA N N 84 120.651 124.924 -4.273 1 1 961 . 5 1 1 A 85 85 ASP H H 85 7.739 8.912 -1.173 1 1 962 . 5 1 1 A 85 85 ASP HA H 85 4.380 4.050 0.330 1 1 965 . 5 1 1 A 85 85 ASP C C 85 175.591 176.753 -1.162 1 1 966 . 5 1 1 A 85 85 ASP CA C 85 55.136 56.426 -1.290 1 1 967 . 5 1 1 A 85 85 ASP CB C 85 43.011 40.624 2.387 1 1 968 . 5 1 1 A 85 85 ASP N N 85 114.721 118.011 -3.290 1 1 969 . 5 1 1 A 86 86 LEU H H 86 8.475 7.644 0.831 1 1 970 . 5 1 1 A 86 86 LEU HA H 86 3.956 4.443 -0.487 1 1 980 . 5 1 1 A 86 86 LEU CA C 86 54.656 53.768 0.888 1 1 981 . 5 1 1 A 86 86 LEU CB C 86 39.380 41.429 -2.049 1 1 985 . 5 1 1 A 87 87 PRO HA H 87 4.225 4.159 0.066 1 1 992 . 5 1 1 A 87 87 PRO CA C 87 65.046 64.815 0.231 1 1 993 . 5 1 1 A 87 87 PRO CB C 87 32.264 31.643 0.621 1 1 996 . 5 1 1 A 88 88 PHE H H 88 5.565 7.933 -2.368 1 1 997 . 5 1 1 A 88 88 PHE HA H 88 4.340 4.332 0.008 1 1 1000 . 5 1 1 A 88 88 PHE CA C 88 57.664 60.559 -2.895 1 1 1001 . 5 1 1 A 88 88 PHE CB C 88 39.344 38.240 1.104 1 1 1002 . 5 1 1 A 88 88 PHE N N 88 110.725 116.661 -5.936 1 1 1003 . 5 1 1 A 89 89 ALA H H 89 7.381 8.030 -0.649 1 1 1004 . 5 1 1 A 89 89 ALA HA H 89 4.239 4.457 -0.218 1 1 1008 . 5 1 1 A 89 89 ALA CA C 89 52.009 51.201 0.808 1 1 1009 . 5 1 1 A 89 89 ALA CB C 89 19.761 20.180 -0.419 1 1 1010 . 5 1 1 A 89 89 ALA N N 89 114.850 119.742 -4.892 1 1 1011 . 5 1 1 A 90 90 GLN H H 90 7.231 7.760 -0.529 1 1 1012 . 5 1 1 A 90 90 GLN HA H 90 3.695 4.384 -0.689 1 1 1018 . 5 1 1 A 90 90 GLN CA C 90 59.578 55.188 4.390 1 1 1019 . 5 1 1 A 90 90 GLN CB C 90 28.728 30.109 -1.381 1 1 1022 . 5 1 1 A 91 91 ALA H H 91 7.741 7.267 0.474 1 1 1023 . 5 1 1 A 91 91 ALA HA H 91 4.202 3.198 1.004 1 1 1027 . 5 1 1 A 91 91 ALA CA C 91 54.382 49.892 4.490 1 1 1028 . 5 1 1 A 91 91 ALA CB C 91 18.837 22.117 -3.280 1 1 1029 . 5 1 1 A 91 91 ALA N N 91 118.589 119.698 -1.109 1 1 1030 . 5 1 1 A 92 92 ARG H H 92 7.354 7.751 -0.397 1 1 1031 . 5 1 1 A 92 92 ARG HA H 92 4.588 3.940 0.648 1 1 1038 . 5 1 1 A 92 92 ARG CA C 92 55.476 57.125 -1.649 1 1 1039 . 5 1 1 A 92 92 ARG CB C 92 30.048 29.792 0.256 1 1 1042 . 5 1 1 A 93 93 TRP H H 93 7.767 7.570 0.197 1 1 1043 . 5 1 1 A 93 93 TRP HA H 93 4.881 4.249 0.632 1 1 1050 . 5 1 1 A 93 93 TRP CA C 93 57.534 57.839 -0.305 1 1 1051 . 5 1 1 A 93 93 TRP CB C 93 29.501 26.758 2.743 1 1 1052 . 5 1 1 A 93 93 TRP N N 93 121.927 115.387 6.540 1 1 1054 . 5 1 1 A 94 94 CYS HA H 94 3.901 4.304 -0.403 1 1 1057 . 5 1 1 A 94 94 CYS CA C 94 59.577 60.252 -0.675 1 1 1058 . 5 1 1 A 94 94 CYS CB C 94 43.446 41.740 1.706 1 1 1059 . 5 1 1 A 95 95 GLY HA2 H 95 5.122 3.981 1.141 1 1 1060 . 5 1 1 A 95 95 GLY HA3 H 95 3.691 4.002 -0.311 1 1 1061 . 5 1 1 A 95 95 GLY CA C 95 45.511 45.568 -0.057 1 1 1062 . 5 1 1 A 96 96 ALA H H 96 7.504 8.091 -0.587 1 1 1063 . 5 1 1 A 96 96 ALA HA H 96 4.412 4.556 -0.144 1 1 1067 . 5 1 1 A 96 96 ALA CA C 96 51.699 50.889 0.810 1 1 1068 . 5 1 1 A 96 96 ALA CB C 96 21.025 19.974 1.051 1 1 1069 . 5 1 1 A 96 96 ALA N N 96 121.579 119.919 1.660 1 1 1070 . 5 1 1 A 97 97 ASN H H 97 7.345 7.813 -0.468 1 1 1071 . 5 1 1 A 97 97 ASN HA H 97 4.551 4.965 -0.414 1 1 1076 . 5 1 1 A 97 97 ASN CA C 97 54.929 51.793 3.136 1 1 1077 . 5 1 1 A 97 97 ASN CB C 97 39.071 38.873 0.198 1 1 1079 . 5 1 1 A 98 98 GLY H H 98 8.890 7.815 1.075 1 1 1080 . 5 1 1 A 98 98 GLY HA2 H 98 3.796 4.038 -0.242 1 1 1081 . 5 1 1 A 98 98 GLY HA3 H 98 4.070 4.042 0.028 1 1 1082 . 5 1 1 A 98 98 GLY C C 98 174.160 173.871 0.289 1 1 1083 . 5 1 1 A 98 98 GLY CA C 98 45.841 45.450 0.391 1 1 1084 . 5 1 1 A 99 99 ILE H H 99 7.739 7.478 0.261 1 1 1085 . 5 1 1 A 99 99 ILE HA H 99 4.198 4.584 -0.386 1 1 1095 . 5 1 1 A 99 99 ILE C C 99 175.561 175.451 0.110 1 1 1096 . 5 1 1 A 99 99 ILE CA C 99 60.671 59.476 1.195 1 1 1097 . 5 1 1 A 99 99 ILE CB C 99 38.524 39.380 -0.856 1 1 1101 . 5 1 1 A 99 99 ILE N N 99 120.780 116.260 4.520 1 1 1102 . 5 1 1 A 100 100 ASP H H 100 8.372 8.764 -0.392 1 1 1103 . 5 1 1 A 100 100 ASP HA H 100 4.426 4.180 0.246 1 1 1106 . 5 1 1 A 100 100 ASP C C 100 176.325 177.777 -1.452 1 1 1107 . 5 1 1 A 100 100 ASP CA C 100 56.023 57.524 -1.501 1 1 1108 . 5 1 1 A 100 100 ASP CB C 100 40.985 40.373 0.612 1 1 1109 . 5 1 1 A 100 100 ASP N N 100 126.194 126.003 0.191 1 1 1110 . 5 1 1 A 101 101 LYS H H 101 8.081 7.797 0.284 1 1 1111 . 5 1 1 A 101 101 LYS HA H 101 4.052 4.207 -0.155 1 1 1120 . 5 1 1 A 101 101 LYS C C 101 175.874 177.607 -1.733 1 1 1121 . 5 1 1 A 101 101 LYS CA C 101 58.210 58.498 -0.288 1 1 1122 . 5 1 1 A 101 101 LYS CB C 101 31.689 32.281 -0.592 1 1 1126 . 5 1 1 A 101 101 LYS N N 101 115.366 116.817 -1.451 1 1 1127 . 5 1 1 A 102 102 VAL H H 102 7.631 7.486 0.145 1 1 1128 . 5 1 1 A 102 102 VAL HA H 102 4.419 4.143 0.276 1 1 1136 . 5 1 1 A 102 102 VAL C C 102 175.145 175.648 -0.503 1 1 1137 . 5 1 1 A 102 102 VAL CA C 102 61.919 62.976 -1.057 1 1 1138 . 5 1 1 A 102 102 VAL CB C 102 32.782 32.403 0.379 1 1 1141 . 5 1 1 A 102 102 VAL N N 102 119.362 119.762 -0.400 1 1 1142 . 5 1 1 A 103 103 GLU H H 103 8.489 8.405 0.084 1 1 1143 . 5 1 1 A 103 103 GLU HA H 103 4.931 4.990 -0.059 1 1 1148 . 5 1 1 A 103 103 GLU C C 103 175.943 174.954 0.989 1 1 1149 . 5 1 1 A 103 103 GLU CA C 103 55.140 54.801 0.339 1 1 1150 . 5 1 1 A 103 103 GLU CB C 103 33.329 33.804 -0.475 1 1 1152 . 5 1 1 A 103 103 GLU N N 103 126.581 125.590 0.991 1 1 1153 . 5 1 1 A 104 104 THR H H 104 8.690 8.852 -0.162 1 1 1154 . 5 1 1 A 104 104 THR HA H 104 5.292 4.928 0.364 1 1 1159 . 5 1 1 A 104 104 THR C C 104 173.165 173.967 -0.802 1 1 1160 . 5 1 1 A 104 104 THR CA C 104 58.757 63.066 -4.309 1 1 1161 . 5 1 1 A 104 104 THR CB C 104 69.967 70.295 -0.328 1 1 1163 . 5 1 1 A 104 104 THR N N 104 114.979 122.021 -7.042 1 1 1164 . 5 1 1 A 105 105 LEU H H 105 8.635 9.118 -0.483 1 1 1165 . 5 1 1 A 105 105 LEU HA H 105 4.979 5.282 -0.303 1 1 1175 . 5 1 1 A 105 105 LEU C C 105 176.985 175.359 1.626 1 1 1176 . 5 1 1 A 105 105 LEU CA C 105 52.849 53.383 -0.534 1 1 1177 . 5 1 1 A 105 105 LEU CB C 105 45.633 46.689 -1.056 1 1 1181 . 5 1 1 A 105 105 LEU N N 105 119.233 126.514 -7.281 1 1 1182 . 5 1 1 A 106 106 SER H H 106 9.670 8.998 0.672 1 1 1183 . 5 1 1 A 106 106 SER HA H 106 5.485 5.264 0.221 1 1 1186 . 5 1 1 A 106 106 SER C C 106 176.256 173.417 2.839 1 1 1187 . 5 1 1 A 106 106 SER CA C 106 56.570 57.632 -1.062 1 1 1188 . 5 1 1 A 106 106 SER CB C 106 65.593 67.424 -1.831 1 1 1189 . 5 1 1 A 106 106 SER N N 106 114.979 116.296 -1.317 1 1 1190 . 5 1 1 A 107 107 ASP H H 107 8.764 8.259 0.505 1 1 1191 . 5 1 1 A 107 107 ASP HA H 107 5.517 4.988 0.529 1 1 1194 . 5 1 1 A 107 107 ASP CA C 107 52.753 53.423 -0.670 1 1 1195 . 5 1 1 A 107 107 ASP CB C 107 45.086 42.882 2.204 1 1 1196 . 5 1 1 A 107 107 ASP N N 107 132.898 122.404 10.494 1 1 1197 . 5 1 1 A 108 108 HIS H H 108 7.940 8.563 -0.623 1 1 1198 . 5 1 1 A 108 108 HIS HA H 108 4.075 4.288 -0.213 1 1 1200 . 5 1 1 A 108 108 HIS CA C 108 59.577 58.783 0.794 1 1 1201 . 5 1 1 A 108 108 HIS CB C 108 29.861 28.741 1.120 1 1 1202 . 5 1 1 A 108 108 HIS N N 108 116.397 117.270 -0.873 1 1 1203 . 5 1 1 A 109 109 ARG HA H 109 4.214 3.761 0.453 1 1 1206 . 5 1 1 A 109 109 ARG CA C 109 59.031 59.009 0.022 1 1 1207 . 5 1 1 A 109 109 ARG CB C 109 27.861 30.043 -2.182 1 1 1208 . 5 1 1 A 110 110 ASP HA H 110 4.867 4.948 -0.081 1 1 1211 . 5 1 1 A 110 110 ASP C C 110 175.735 175.930 -0.195 1 1 1212 . 5 1 1 A 110 110 ASP CA C 110 53.708 53.207 0.501 1 1 1213 . 5 1 1 A 110 110 ASP CB C 110 43.875 43.251 0.624 1 1 1214 . 5 1 1 A 111 111 MET H H 111 7.899 8.419 -0.520 1 1 1215 . 5 1 1 A 111 111 MET HA H 111 4.503 4.306 0.197 1 1 1221 . 5 1 1 A 111 111 MET C C 111 177.332 176.396 0.936 1 1 1222 . 5 1 1 A 111 111 MET CA C 111 56.570 56.532 0.038 1 1 1223 . 5 1 1 A 111 111 MET CB C 111 30.868 32.227 -1.359 1 1 1226 . 5 1 1 A 111 111 MET N N 111 116.397 118.755 -2.358 1 1 1227 . 5 1 1 A 112 112 SER H H 112 7.931 7.808 0.123 1 1 1228 . 5 1 1 A 112 112 SER HA H 112 4.248 4.214 0.034 1 1 1231 . 5 1 1 A 112 112 SER C C 112 179.173 176.949 2.224 1 1 1232 . 5 1 1 A 112 112 SER CA C 112 60.945 61.585 -0.640 1 1 1233 . 5 1 1 A 112 112 SER CB C 112 64.499 63.640 0.859 1 1 1234 . 5 1 1 A 112 112 SER N N 112 113.561 115.659 -2.098 1 1 1235 . 5 1 1 A 113 113 PHE H H 113 10.125 8.222 1.903 1 1 1236 . 5 1 1 A 113 113 PHE HA H 113 3.593 3.864 -0.271 1 1 1241 . 5 1 1 A 113 113 PHE C C 113 177.437 177.771 -0.334 1 1 1242 . 5 1 1 A 113 113 PHE CA C 113 62.312 61.294 1.018 1 1 1243 . 5 1 1 A 113 113 PHE CB C 113 37.704 38.489 -0.785 1 1 1244 . 5 1 1 A 113 113 PHE N N 113 125.550 121.602 3.948 1 1 1245 . 5 1 1 A 114 114 GLY H H 114 10.707 9.222 1.485 1 1 1246 . 5 1 1 A 114 114 GLY HA2 H 114 3.396 3.618 -0.222 1 1 1247 . 5 1 1 A 114 114 GLY HA3 H 114 3.218 3.665 -0.447 1 1 1248 . 5 1 1 A 114 114 GLY C C 114 175.735 175.811 -0.076 1 1 1249 . 5 1 1 A 114 114 GLY CA C 114 48.641 47.300 1.341 1 1 1250 . 5 1 1 A 114 114 GLY N N 114 109.178 105.811 3.367 1 1 1251 . 5 1 1 A 115 115 GLU H H 115 8.251 8.068 0.183 1 1 1252 . 5 1 1 A 115 115 GLU HA H 115 4.431 4.124 0.307 1 1 1257 . 5 1 1 A 115 115 GLU C C 115 178.756 179.453 -0.697 1 1 1258 . 5 1 1 A 115 115 GLU CA C 115 59.031 60.247 -1.216 1 1 1259 . 5 1 1 A 115 115 GLU CB C 115 29.775 29.038 0.737 1 1 1261 . 5 1 1 A 115 115 GLU N N 115 120.522 121.437 -0.915 1 1 1262 . 5 1 1 A 116 116 ALA H H 116 7.895 8.240 -0.345 1 1 1263 . 5 1 1 A 116 116 ALA HA H 116 4.111 4.176 -0.065 1 1 1267 . 5 1 1 A 116 116 ALA C C 116 177.610 179.244 -1.634 1 1 1268 . 5 1 1 A 116 116 ALA CA C 116 55.476 55.031 0.445 1 1 1269 . 5 1 1 A 116 116 ALA CB C 116 18.838 18.545 0.293 1 1 1270 . 5 1 1 A 116 116 ALA N N 116 123.100 122.167 0.933 1 1 1271 . 5 1 1 A 117 117 PHE H H 117 8.161 7.770 0.391 1 1 1272 . 5 1 1 A 117 117 PHE HA H 117 4.262 4.467 -0.205 1 1 1277 . 5 1 1 A 117 117 PHE C C 117 175.353 175.595 -0.242 1 1 1278 . 5 1 1 A 117 117 PHE CA C 117 56.843 57.283 -0.440 1 1 1279 . 5 1 1 A 117 117 PHE CB C 117 38.251 38.421 -0.170 1 1 1280 . 5 1 1 A 117 117 PHE N N 117 113.432 112.665 0.767 1 1 1281 . 5 1 1 A 118 118 GLY H H 118 7.685 7.652 0.033 1 1 1282 . 5 1 1 A 118 118 GLY HA2 H 118 3.544 4.013 -0.469 1 1 1283 . 5 1 1 A 118 118 GLY HA3 H 118 4.362 4.015 0.347 1 1 1284 . 5 1 1 A 118 118 GLY C C 118 174.901 175.372 -0.471 1 1 1285 . 5 1 1 A 118 118 GLY CA C 118 47.274 46.246 1.028 1 1 1286 . 5 1 1 A 118 118 GLY N N 118 112.143 108.218 3.925 1 1 1287 . 5 1 1 A 119 119 VAL H H 119 8.380 8.057 0.323 1 1 1288 . 5 1 1 A 119 119 VAL HA H 119 4.788 4.241 0.547 1 1 1296 . 5 1 1 A 119 119 VAL C C 119 174.901 176.308 -1.407 1 1 1297 . 5 1 1 A 119 119 VAL CA C 119 59.532 65.001 -5.469 1 1 1298 . 5 1 1 A 119 119 VAL CB C 119 32.509 31.507 1.002 1 1 1301 . 5 1 1 A 119 119 VAL N N 119 102.475 119.720 -17.245 1 1 1302 . 5 1 1 A 120 120 TYR H H 120 6.841 7.813 -0.972 1 1 1303 . 5 1 1 A 120 120 TYR HA H 120 4.484 4.555 -0.071 1 1 1308 . 5 1 1 A 120 120 TYR C C 120 173.443 175.309 -1.866 1 1 1309 . 5 1 1 A 120 120 TYR CA C 120 54.929 57.007 -2.078 1 1 1310 . 5 1 1 A 120 120 TYR CB C 120 37.704 38.403 -0.699 1 1 1311 . 5 1 1 A 120 120 TYR N N 120 124.518 124.682 -0.164 1 1 1312 . 5 1 1 A 121 121 ILE H H 121 9.244 8.856 0.388 1 1 1313 . 5 1 1 A 121 121 ILE HA H 121 4.419 3.958 0.461 1 1 1323 . 5 1 1 A 121 121 ILE C C 121 176.221 176.382 -0.161 1 1 1324 . 5 1 1 A 121 121 ILE CA C 121 62.014 62.658 -0.644 1 1 1325 . 5 1 1 A 121 121 ILE CB C 121 37.704 37.776 -0.072 1 1 1329 . 5 1 1 A 121 121 ILE N N 121 128.772 128.880 -0.108 1 1 1330 . 5 1 1 A 122 122 LYS H H 122 9.328 8.971 0.357 1 1 1331 . 5 1 1 A 122 122 LYS HA H 122 3.588 3.561 0.027 1 1 1340 . 5 1 1 A 122 122 LYS C C 122 179.069 178.016 1.053 1 1 1341 . 5 1 1 A 122 122 LYS CA C 122 60.124 59.684 0.440 1 1 1342 . 5 1 1 A 122 122 LYS CB C 122 33.329 31.997 1.332 1 1 1346 . 5 1 1 A 122 122 LYS N N 122 134.955 129.552 5.403 1 1 1347 . 5 1 1 A 123 123 GLU H H 123 10.228 7.774 2.454 1 1 1348 . 5 1 1 A 123 123 GLU HA H 123 3.919 4.091 -0.172 1 1 1353 . 5 1 1 A 123 123 GLU C C 123 176.638 179.194 -2.556 1 1 1354 . 5 1 1 A 123 123 GLU CA C 123 61.218 58.601 2.617 1 1 1355 . 5 1 1 A 123 123 GLU CB C 123 29.228 30.189 -0.961 1 1 1357 . 5 1 1 A 123 123 GLU N N 123 115.624 119.248 -3.624 1 1 1358 . 5 1 1 A 124 124 LEU H H 124 6.480 7.744 -1.264 1 1 1359 . 5 1 1 A 124 124 LEU HA H 124 4.464 4.129 0.335 1 1 1369 . 5 1 1 A 124 124 LEU C C 124 175.403 176.066 -0.663 1 1 1370 . 5 1 1 A 124 124 LEU CA C 124 53.562 56.599 -3.037 1 1 1371 . 5 1 1 A 124 124 LEU CB C 124 44.813 42.398 2.415 1 1 1375 . 5 1 1 A 124 124 LEU N N 124 110.434 120.445 -10.011 1 1 1376 . 5 1 1 A 125 125 ARG H H 125 8.701 7.506 1.195 1 1 1377 . 5 1 1 A 125 125 ARG HA H 125 3.783 3.760 0.023 1 1 1380 . 5 1 1 A 125 125 ARG C C 125 173.029 174.667 -1.638 1 1 1381 . 5 1 1 A 125 125 ARG CA C 125 57.664 57.105 0.559 1 1 1382 . 5 1 1 A 125 125 ARG CB C 125 30.965 27.352 3.613 1 1 1383 . 5 1 1 A 125 125 ARG N N 125 121.940 116.675 5.265 1 1 1384 . 5 1 1 A 126 126 LEU H H 126 6.671 7.389 -0.718 1 1 1385 . 5 1 1 A 126 126 LEU HA H 126 4.621 4.871 -0.250 1 1 1395 . 5 1 1 A 126 126 LEU C C 126 174.203 175.952 -1.749 1 1 1396 . 5 1 1 A 126 126 LEU CA C 126 51.922 53.218 -1.296 1 1 1397 . 5 1 1 A 126 126 LEU CB C 126 46.727 46.435 0.292 1 1 1401 . 5 1 1 A 126 126 LEU N N 126 111.885 118.205 -6.320 1 1 1402 . 5 1 1 A 127 127 LEU H H 127 8.447 8.713 -0.266 1 1 1403 . 5 1 1 A 127 127 LEU HA H 127 5.153 4.527 0.626 1 1 1413 . 5 1 1 A 127 127 LEU C C 127 175.145 177.551 -2.406 1 1 1414 . 5 1 1 A 127 127 LEU CA C 127 52.742 54.952 -2.210 1 1 1415 . 5 1 1 A 127 127 LEU CB C 127 43.172 42.090 1.082 1 1 1419 . 5 1 1 A 127 127 LEU N N 127 118.983 121.607 -2.624 1 1 1420 . 5 1 1 A 128 128 ALA H H 128 9.160 8.841 0.319 1 1 1421 . 5 1 1 A 128 128 ALA HA H 128 3.843 4.547 -0.704 1 1 1425 . 5 1 1 A 128 128 ALA C C 128 176.603 177.205 -0.602 1 1 1426 . 5 1 1 A 128 128 ALA CA C 128 52.469 52.321 0.148 1 1 1427 . 5 1 1 A 128 128 ALA CB C 128 18.291 19.340 -1.049 1 1 1428 . 5 1 1 A 128 128 ALA N N 128 121.682 127.633 -5.951 1 1 1429 . 5 1 1 A 129 129 ARG H H 129 6.254 8.664 -2.410 1 1 1430 . 5 1 1 A 129 129 ARG HA H 129 4.700 4.810 -0.110 1 1 1436 . 5 1 1 A 129 129 ARG C C 129 176.534 175.101 1.433 1 1 1437 . 5 1 1 A 129 129 ARG CA C 129 55.651 55.635 0.016 1 1 1438 . 5 1 1 A 129 129 ARG CB C 129 29.775 30.932 -1.157 1 1 1441 . 5 1 1 A 129 129 ARG N N 129 120.393 122.600 -2.207 1 1 1442 . 5 1 1 A 130 130 SER H H 130 8.398 8.458 -0.060 1 1 1443 . 5 1 1 A 130 130 SER HA H 130 4.767 5.155 -0.388 1 1 1446 . 5 1 1 A 130 130 SER C C 130 172.957 172.767 0.190 1 1 1447 . 5 1 1 A 130 130 SER CA C 130 57.658 57.474 0.184 1 1 1448 . 5 1 1 A 130 130 SER CB C 130 63.679 66.600 -2.921 1 1 1449 . 5 1 1 A 130 130 SER N N 130 120.264 122.181 -1.917 1 1 1450 . 5 1 1 A 131 131 VAL H H 131 7.838 8.000 -0.162 1 1 1451 . 5 1 1 A 131 131 VAL HA H 131 5.086 4.836 0.250 1 1 1459 . 5 1 1 A 131 131 VAL C C 131 172.853 172.824 0.029 1 1 1460 . 5 1 1 A 131 131 VAL CA C 131 60.746 60.015 0.731 1 1 1461 . 5 1 1 A 131 131 VAL CB C 131 36.610 35.240 1.370 1 1 1464 . 5 1 1 A 131 131 VAL N N 131 118.460 120.256 -1.796 1 1 1465 . 5 1 1 A 132 132 PHE H H 132 9.259 9.429 -0.170 1 1 1466 . 5 1 1 A 132 132 PHE HA H 132 5.583 5.535 0.048 1 1 1470 . 5 1 1 A 132 132 PHE C C 132 174.797 174.885 -0.088 1 1 1471 . 5 1 1 A 132 132 PHE CA C 132 56.296 56.230 0.066 1 1 1472 . 5 1 1 A 132 132 PHE CB C 132 44.539 43.779 0.760 1 1 1473 . 5 1 1 A 132 132 PHE N N 132 121.682 124.765 -3.083 1 1 1474 . 5 1 1 A 133 133 VAL H H 133 8.907 8.821 0.086 1 1 1475 . 5 1 1 A 133 133 VAL HA H 133 5.331 5.120 0.211 1 1 1483 . 5 1 1 A 133 133 VAL C C 133 174.450 175.147 -0.697 1 1 1484 . 5 1 1 A 133 133 VAL CA C 133 61.491 60.713 0.778 1 1 1485 . 5 1 1 A 133 133 VAL CB C 133 34.696 35.951 -1.255 1 1 1488 . 5 1 1 A 133 133 VAL N N 133 119.878 120.286 -0.408 1 1 1489 . 5 1 1 A 134 134 LEU H H 134 9.976 9.186 0.790 1 1 1490 . 5 1 1 A 134 134 LEU HA H 134 5.680 5.345 0.335 1 1 1500 . 5 1 1 A 134 134 LEU C C 134 176.777 175.286 1.491 1 1 1501 . 5 1 1 A 134 134 LEU CA C 134 52.195 53.520 -1.325 1 1 1502 . 5 1 1 A 134 134 LEU CB C 134 44.813 45.639 -0.826 1 1 1506 . 5 1 1 A 134 134 LEU N N 134 129.417 126.663 2.754 1 1 1507 . 5 1 1 A 135 135 ASP H H 135 9.051 9.194 -0.143 1 1 1508 . 5 1 1 A 135 135 ASP HA H 135 4.708 4.730 -0.022 1 1 1511 . 5 1 1 A 135 135 ASP C C 135 177.193 177.328 -0.135 1 1 1512 . 5 1 1 A 135 135 ASP CA C 135 52.276 53.728 -1.452 1 1 1513 . 5 1 1 A 135 135 ASP CB C 135 40.711 42.095 -1.384 1 1 1514 . 5 1 1 A 135 135 ASP N N 135 119.362 124.895 -5.533 1 1 1515 . 5 1 1 A 136 136 GLU H H 136 9.970 8.902 1.068 1 1 1516 . 5 1 1 A 136 136 GLU HA H 136 3.953 4.030 -0.077 1 1 1521 . 5 1 1 A 136 136 GLU C C 136 177.055 177.596 -0.541 1 1 1522 . 5 1 1 A 136 136 GLU CA C 136 58.757 59.415 -0.658 1 1 1523 . 5 1 1 A 136 136 GLU CB C 136 28.681 29.413 -0.732 1 1 1525 . 5 1 1 A 136 136 GLU N N 136 116.011 123.953 -7.942 1 1 1526 . 5 1 1 A 137 137 ASN H H 137 8.514 8.333 0.181 1 1 1527 . 5 1 1 A 137 137 ASN HA H 137 5.026 4.713 0.313 1 1 1532 . 5 1 1 A 137 137 ASN C C 137 175.943 176.541 -0.598 1 1 1533 . 5 1 1 A 137 137 ASN CA C 137 52.753 52.306 0.447 1 1 1534 . 5 1 1 A 137 137 ASN CB C 137 40.164 37.578 2.586 1 1 1535 . 5 1 1 A 137 137 ASN N N 137 117.042 113.815 3.227 1 1 1537 . 5 1 1 A 138 138 GLY H H 138 8.430 8.517 -0.087 1 1 1538 . 5 1 1 A 138 138 GLY HA2 H 138 3.690 3.989 -0.299 1 1 1539 . 5 1 1 A 138 138 GLY HA3 H 138 4.213 4.015 0.198 1 1 1540 . 5 1 1 A 138 138 GLY C C 138 172.436 174.348 -1.912 1 1 1541 . 5 1 1 A 138 138 GLY CA C 138 46.180 45.182 0.998 1 1 1542 . 5 1 1 A 138 138 GLY N N 138 109.565 108.859 0.706 1 1 1543 . 5 1 1 A 139 139 LYS H H 139 8.573 7.996 0.577 1 1 1544 . 5 1 1 A 139 139 LYS HA H 139 4.472 4.314 0.158 1 1 1553 . 5 1 1 A 139 139 LYS C C 139 176.742 176.454 0.288 1 1 1554 . 5 1 1 A 139 139 LYS CA C 139 56.195 56.501 -0.306 1 1 1555 . 5 1 1 A 139 139 LYS CB C 139 32.782 33.450 -0.668 1 1 1559 . 5 1 1 A 139 139 LYS N N 139 123.358 122.294 1.064 1 1 1560 . 5 1 1 A 140 140 VAL H H 140 9.102 8.805 0.297 1 1 1561 . 5 1 1 A 140 140 VAL HA H 140 4.293 4.214 0.079 1 1 1569 . 5 1 1 A 140 140 VAL C C 140 177.124 176.063 1.061 1 1 1570 . 5 1 1 A 140 140 VAL CA C 140 63.952 63.661 0.291 1 1 1571 . 5 1 1 A 140 140 VAL CB C 140 31.142 32.212 -1.070 1 1 1574 . 5 1 1 A 140 140 VAL N N 140 125.292 126.902 -1.610 1 1 1575 . 5 1 1 A 141 141 VAL H H 141 9.332 9.432 -0.100 1 1 1576 . 5 1 1 A 141 141 VAL HA H 141 4.670 4.396 0.274 1 1 1584 . 5 1 1 A 141 141 VAL C C 141 175.249 175.586 -0.337 1 1 1585 . 5 1 1 A 141 141 VAL CA C 141 61.491 63.563 -2.072 1 1 1586 . 5 1 1 A 141 141 VAL CB C 141 32.509 33.768 -1.259 1 1 1589 . 5 1 1 A 141 141 VAL N N 141 124.261 125.796 -1.535 1 1 1590 . 5 1 1 A 142 142 TYR H H 142 7.959 7.658 0.301 1 1 1591 . 5 1 1 A 142 142 TYR HA H 142 4.389 4.818 -0.429 1 1 1596 . 5 1 1 A 142 142 TYR C C 142 172.262 173.566 -1.304 1 1 1597 . 5 1 1 A 142 142 TYR CA C 142 58.757 58.158 0.599 1 1 1598 . 5 1 1 A 142 142 TYR CB C 142 41.805 41.578 0.227 1 1 1599 . 5 1 1 A 142 142 TYR N N 142 122.198 119.799 2.399 1 1 1600 . 5 1 1 A 143 143 ALA H H 143 7.642 7.878 -0.236 1 1 1601 . 5 1 1 A 143 143 ALA HA H 143 4.883 4.974 -0.091 1 1 1605 . 5 1 1 A 143 143 ALA C C 143 175.353 175.110 0.243 1 1 1606 . 5 1 1 A 143 143 ALA CA C 143 51.703 51.286 0.417 1 1 1607 . 5 1 1 A 143 143 ALA CB C 143 22.666 23.156 -0.490 1 1 1608 . 5 1 1 A 143 143 ALA N N 143 129.804 128.405 1.399 1 1 1609 . 5 1 1 A 144 144 GLU H H 144 8.292 8.234 0.058 1 1 1610 . 5 1 1 A 144 144 GLU HA H 144 4.297 4.722 -0.425 1 1 1615 . 5 1 1 A 144 144 GLU C C 144 173.860 173.781 0.079 1 1 1616 . 5 1 1 A 144 144 GLU CA C 144 56.296 55.268 1.028 1 1 1617 . 5 1 1 A 144 144 GLU CB C 144 32.509 33.838 -1.329 1 1 1619 . 5 1 1 A 144 144 GLU N N 144 122.198 121.386 0.812 1 1 1620 . 5 1 1 A 145 145 TYR H H 145 9.006 9.013 -0.007 1 1 1621 . 5 1 1 A 145 145 TYR HA H 145 4.125 5.051 -0.926 1 1 1626 . 5 1 1 A 145 145 TYR C C 145 175.164 175.234 -0.070 1 1 1627 . 5 1 1 A 145 145 TYR CA C 145 57.117 56.670 0.447 1 1 1628 . 5 1 1 A 145 145 TYR CB C 145 38.251 40.202 -1.951 1 1 1629 . 5 1 1 A 145 145 TYR N N 145 128.128 123.915 4.213 1 1 1630 . 5 1 1 A 146 146 VAL H H 146 7.441 8.823 -1.382 1 1 1631 . 5 1 1 A 146 146 VAL HA H 146 3.672 4.021 -0.349 1 1 1639 . 5 1 1 A 146 146 VAL C C 146 176.777 176.460 0.317 1 1 1640 . 5 1 1 A 146 146 VAL CA C 146 64.226 63.673 0.553 1 1 1641 . 5 1 1 A 146 146 VAL CB C 146 30.868 32.044 -1.176 1 1 1644 . 5 1 1 A 146 146 VAL N N 146 125.808 126.377 -0.569 1 1 1645 . 5 1 1 A 147 147 SER H H 147 8.359 8.599 -0.240 1 1 1646 . 5 1 1 A 147 147 SER HA H 147 4.007 4.340 -0.333 1 1 1649 . 5 1 1 A 147 147 SER C C 147 172.123 174.778 -2.655 1 1 1650 . 5 1 1 A 147 147 SER CA C 147 63.132 60.886 2.246 1 1 1651 . 5 1 1 A 147 147 SER CB C 147 62.859 63.079 -0.220 1 1 1652 . 5 1 1 A 147 147 SER N N 147 121.425 121.230 0.195 1 1 1653 . 5 1 1 A 148 148 GLU H H 148 7.177 7.946 -0.769 1 1 1654 . 5 1 1 A 148 148 GLU HA H 148 5.055 4.827 0.228 1 1 1659 . 5 1 1 A 148 148 GLU C C 148 176.082 176.170 -0.088 1 1 1660 . 5 1 1 A 148 148 GLU CA C 148 52.563 55.209 -2.646 1 1 1661 . 5 1 1 A 148 148 GLU CB C 148 29.774 31.668 -1.894 1 1 1663 . 5 1 1 A 148 148 GLU N N 148 119.620 120.800 -1.180 1 1 1664 . 5 1 1 A 149 149 ALA H H 149 9.142 9.250 -0.108 1 1 1665 . 5 1 1 A 149 149 ALA HA H 149 4.704 3.956 0.748 1 1 1669 . 5 1 1 A 149 149 ALA C C 149 177.437 178.032 -0.595 1 1 1670 . 5 1 1 A 149 149 ALA CA C 149 54.466 54.406 0.060 1 1 1671 . 5 1 1 A 149 149 ALA CB C 149 19.111 18.403 0.708 1 1 1672 . 5 1 1 A 149 149 ALA N N 149 127.741 129.322 -1.581 1 1 1673 . 5 1 1 A 150 150 THR H H 150 8.200 7.377 0.823 1 1 1674 . 5 1 1 A 150 150 THR HA H 150 4.393 4.195 0.198 1 1 1679 . 5 1 1 A 150 150 THR C C 150 174.554 173.600 0.954 1 1 1680 . 5 1 1 A 150 150 THR CA C 150 62.312 62.368 -0.056 1 1 1681 . 5 1 1 A 150 150 THR CB C 150 69.694 69.055 0.639 1 1 1683 . 5 1 1 A 150 150 THR N N 150 104.453 106.872 -2.419 1 1 1684 . 5 1 1 A 151 151 ASN H H 151 7.984 7.369 0.615 1 1 1685 . 5 1 1 A 151 151 ASN HA H 151 4.947 5.067 -0.120 1 1 1690 . 5 1 1 A 151 151 ASN C C 151 174.554 173.433 1.121 1 1 1691 . 5 1 1 A 151 151 ASN CA C 151 51.135 51.667 -0.532 1 1 1692 . 5 1 1 A 151 151 ASN CB C 151 39.344 42.382 -3.038 1 1 1693 . 5 1 1 A 151 151 ASN N N 151 123.487 120.365 3.122 1 1 1695 . 5 1 1 A 152 152 HIS H H 152 8.160 8.587 -0.427 1 1 1696 . 5 1 1 A 152 152 HIS HA H 152 4.731 5.523 -0.792 1 1 1700 . 5 1 1 A 152 152 HIS C C 152 174.381 173.648 0.733 1 1 1701 . 5 1 1 A 152 152 HIS CA C 152 54.854 53.192 1.662 1 1 1702 . 5 1 1 A 152 152 HIS CB C 152 31.415 32.806 -1.391 1 1 1703 . 5 1 1 A 152 152 HIS N N 152 116.139 116.215 -0.076 1 1 1704 . 5 1 1 A 153 153 PRO HA H 153 4.335 4.571 -0.236 1 1 1709 . 5 1 1 A 153 153 PRO C C 153 173.894 176.386 -2.492 1 1 1710 . 5 1 1 A 153 153 PRO CA C 153 61.491 62.298 -0.807 1 1 1711 . 5 1 1 A 153 153 PRO CB C 153 32.782 33.036 -0.254 1 1 1714 . 5 1 1 A 154 154 ASN H H 154 9.511 8.634 0.877 1 1 1715 . 5 1 1 A 154 154 ASN HA H 154 4.306 4.756 -0.450 1 1 1720 . 5 1 1 A 154 154 ASN C C 154 176.568 175.661 0.907 1 1 1721 . 5 1 1 A 154 154 ASN CA C 154 54.656 51.861 2.795 1 1 1722 . 5 1 1 A 154 154 ASN CB C 154 39.071 37.693 1.378 1 1 1723 . 5 1 1 A 154 154 ASN N N 154 118.718 119.693 -0.975 1 1 1725 . 5 1 1 A 155 155 TYR H H 155 8.691 7.819 0.872 1 1 1726 . 5 1 1 A 155 155 TYR HA H 155 4.364 4.296 0.068 1 1 1731 . 5 1 1 A 155 155 TYR C C 155 176.256 176.715 -0.459 1 1 1732 . 5 1 1 A 155 155 TYR CA C 155 59.304 59.302 0.002 1 1 1733 . 5 1 1 A 155 155 TYR CB C 155 39.344 37.223 2.121 1 1 1734 . 5 1 1 A 155 155 TYR N N 155 125.421 123.761 1.660 1 1 1735 . 5 1 1 A 156 156 GLU H H 156 8.200 7.711 0.489 1 1 1736 . 5 1 1 A 156 156 GLU HA H 156 4.415 4.290 0.125 1 1 1741 . 5 1 1 A 156 156 GLU C C 156 178.583 179.177 -0.594 1 1 1742 . 5 1 1 A 156 156 GLU CA C 156 58.757 58.812 -0.055 1 1 1743 . 5 1 1 A 156 156 GLU CB C 156 30.868 29.084 1.784 1 1 1745 . 5 1 1 A 156 156 GLU N N 156 119.878 122.389 -2.511 1 1 1746 . 5 1 1 A 157 157 LYS H H 157 8.718 7.893 0.825 1 1 1747 . 5 1 1 A 157 157 LYS HA H 157 4.095 4.039 0.056 1 1 1756 . 5 1 1 A 157 157 LYS C C 157 176.152 175.372 0.780 1 1 1757 . 5 1 1 A 157 157 LYS CA C 157 60.398 61.377 -0.979 1 1 1758 . 5 1 1 A 157 157 LYS CB C 157 30.595 30.577 0.018 1 1 1762 . 5 1 1 A 157 157 LYS N N 157 121.167 120.161 1.006 1 1 1763 . 5 1 1 A 158 158 PRO HA H 158 3.116 3.767 -0.651 1 1 1770 . 5 1 1 A 158 158 PRO C C 158 177.853 179.421 -1.568 1 1 1771 . 5 1 1 A 158 158 PRO CA C 158 65.319 64.873 0.446 1 1 1772 . 5 1 1 A 158 158 PRO CB C 158 30.595 30.584 0.011 1 1 1775 . 5 1 1 A 159 159 ILE H H 159 6.215 7.111 -0.896 1 1 1776 . 5 1 1 A 159 159 ILE HA H 159 3.594 3.831 -0.237 1 1 1786 . 5 1 1 A 159 159 ILE C C 159 177.610 177.685 -0.075 1 1 1787 . 5 1 1 A 159 159 ILE CA C 159 62.312 64.387 -2.075 1 1 1788 . 5 1 1 A 159 159 ILE CB C 159 35.516 37.814 -2.298 1 1 1792 . 5 1 1 A 159 159 ILE N N 159 113.948 116.539 -2.591 1 1 1793 . 5 1 1 A 160 160 GLU H H 160 7.572 8.582 -1.010 1 1 1794 . 5 1 1 A 160 160 GLU HA H 160 3.876 4.006 -0.130 1 1 1799 . 5 1 1 A 160 160 GLU C C 160 179.277 179.367 -0.090 1 1 1800 . 5 1 1 A 160 160 GLU CA C 160 59.304 59.608 -0.304 1 1 1801 . 5 1 1 A 160 160 GLU CB C 160 29.774 29.183 0.591 1 1 1803 . 5 1 1 A 160 160 GLU N N 160 119.104 119.997 -0.893 1 1 1804 . 5 1 1 A 161 161 ALA H H 161 7.902 7.928 -0.026 1 1 1805 . 5 1 1 A 161 161 ALA HA H 161 4.137 4.199 -0.062 1 1 1809 . 5 1 1 A 161 161 ALA C C 161 179.485 180.134 -0.649 1 1 1810 . 5 1 1 A 161 161 ALA CA C 161 54.656 55.073 -0.417 1 1 1811 . 5 1 1 A 161 161 ALA CB C 161 18.017 18.037 -0.020 1 1 1812 . 5 1 1 A 161 161 ALA N N 161 120.393 123.154 -2.761 1 1 1813 . 5 1 1 A 162 162 ALA H H 162 7.734 7.991 -0.257 1 1 1814 . 5 1 1 A 162 162 ALA HA H 162 3.950 4.127 -0.177 1 1 1818 . 5 1 1 A 162 162 ALA C C 162 179.485 179.329 0.156 1 1 1819 . 5 1 1 A 162 162 ALA CA C 162 54.656 55.180 -0.524 1 1 1820 . 5 1 1 A 162 162 ALA CB C 162 19.111 17.971 1.140 1 1 1821 . 5 1 1 A 162 162 ALA N N 162 118.202 121.017 -2.815 1 1 1822 . 5 1 1 A 163 163 LYS H H 163 8.760 8.509 0.251 1 1 1823 . 5 1 1 A 163 163 LYS HA H 163 3.842 3.972 -0.130 1 1 1832 . 5 1 1 A 163 163 LYS C C 163 178.201 179.539 -1.338 1 1 1833 . 5 1 1 A 163 163 LYS CA C 163 59.578 59.224 0.354 1 1 1834 . 5 1 1 A 163 163 LYS CB C 163 32.782 32.074 0.708 1 1 1838 . 5 1 1 A 163 163 LYS N N 163 118.202 116.808 1.394 1 1 1839 . 5 1 1 A 164 164 ALA H H 164 7.216 8.138 -0.922 1 1 1840 . 5 1 1 A 164 164 ALA HA H 164 4.215 4.112 0.103 1 1 1844 . 5 1 1 A 164 164 ALA C C 164 178.339 180.478 -2.139 1 1 1845 . 5 1 1 A 164 164 ALA CA C 164 53.836 54.926 -1.090 1 1 1846 . 5 1 1 A 164 164 ALA CB C 164 18.291 18.400 -0.109 1 1 1847 . 5 1 1 A 164 164 ALA N N 164 117.557 122.123 -4.566 1 1 1848 . 5 1 1 A 165 165 LEU H H 165 7.503 7.850 -0.347 1 1 1849 . 5 1 1 A 165 165 LEU HA H 165 4.432 4.023 0.409 1 1 1859 . 5 1 1 A 165 165 LEU C C 165 177.714 179.055 -1.341 1 1 1860 . 5 1 1 A 165 165 LEU CA C 165 54.929 57.984 -3.055 1 1 1861 . 5 1 1 A 165 165 LEU CB C 165 44.256 42.152 2.104 1 1 1865 . 5 1 1 A 165 165 LEU N N 165 115.753 119.913 -4.160 1 1 1866 . 5 1 1 A 166 166 VAL H H 166 7.337 8.311 -0.974 1 1 1867 . 5 1 1 A 166 166 VAL HA H 166 4.103 3.496 0.607 1 1 1875 . 5 1 1 A 166 166 VAL C C 166 175.040 176.396 -1.356 1 1 1876 . 5 1 1 A 166 166 VAL CA C 166 62.859 66.777 -3.918 1 1 1877 . 5 1 1 A 166 166 VAL CB C 166 32.509 31.628 0.881 1 1 1880 . 5 1 1 A 166 166 VAL N N 166 118.589 117.555 1.034 1 1 1 . 6 1 1 A 2 2 ALA HA H 2 3.876 4.034 -0.158 1 1 5 . 6 1 1 A 2 2 ALA C C 2 172.590 177.325 -4.735 1 1 6 . 6 1 1 A 2 2 ALA CA C 2 51.922 52.982 -1.060 1 1 7 . 6 1 1 A 2 2 ALA CB C 2 18.924 18.618 0.306 1 1 8 . 6 1 1 A 3 3 GLU H H 3 8.262 8.469 -0.207 1 1 9 . 6 1 1 A 3 3 GLU HA H 3 4.641 4.821 -0.180 1 1 14 . 6 1 1 A 3 3 GLU C C 3 175.157 174.483 0.674 1 1 15 . 6 1 1 A 3 3 GLU CA C 3 55.476 55.589 -0.113 1 1 16 . 6 1 1 A 3 3 GLU CB C 3 31.142 33.672 -2.530 1 1 18 . 6 1 1 A 3 3 GLU N N 3 121.167 122.275 -1.108 1 1 19 . 6 1 1 A 4 4 ILE H H 4 9.053 8.508 0.545 1 1 20 . 6 1 1 A 4 4 ILE HA H 4 5.361 5.043 0.318 1 1 30 . 6 1 1 A 4 4 ILE C C 4 175.817 174.579 1.238 1 1 31 . 6 1 1 A 4 4 ILE CA C 4 59.304 58.786 0.518 1 1 32 . 6 1 1 A 4 4 ILE CB C 4 42.079 42.595 -0.516 1 1 36 . 6 1 1 A 4 4 ILE N N 4 124.776 120.121 4.655 1 1 37 . 6 1 1 A 5 5 THR H H 5 8.977 8.200 0.777 1 1 38 . 6 1 1 A 5 5 THR HA H 5 5.141 5.380 -0.239 1 1 43 . 6 1 1 A 5 5 THR C C 5 173.483 173.461 0.022 1 1 44 . 6 1 1 A 5 5 THR CA C 5 59.304 60.263 -0.959 1 1 45 . 6 1 1 A 5 5 THR CB C 5 73.249 72.435 0.814 1 1 47 . 6 1 1 A 5 5 THR N N 5 112.659 115.590 -2.931 1 1 48 . 6 1 1 A 6 6 PHE H H 6 9.173 9.272 -0.099 1 1 49 . 6 1 1 A 6 6 PHE HA H 6 4.866 4.889 -0.023 1 1 53 . 6 1 1 A 6 6 PHE C C 6 175.591 174.742 0.849 1 1 54 . 6 1 1 A 6 6 PHE CA C 6 58.054 57.678 0.376 1 1 55 . 6 1 1 A 6 6 PHE CB C 6 42.625 42.611 0.014 1 1 56 . 6 1 1 A 6 6 PHE N N 6 119.362 124.936 -5.574 1 1 57 . 6 1 1 A 7 7 LYS H H 7 11.130 9.013 2.117 1 1 58 . 6 1 1 A 7 7 LYS HA H 7 3.567 3.739 -0.172 1 1 67 . 6 1 1 A 7 7 LYS C C 7 177.661 176.651 1.010 1 1 68 . 6 1 1 A 7 7 LYS CA C 7 57.390 56.957 0.433 1 1 69 . 6 1 1 A 7 7 LYS CB C 7 29.222 29.971 -0.749 1 1 73 . 6 1 1 A 7 7 LYS N N 7 134.058 128.158 5.900 1 1 74 . 6 1 1 A 8 8 GLY H H 8 8.965 9.019 -0.054 1 1 75 . 6 1 1 A 8 8 GLY HA2 H 8 4.244 3.816 0.428 1 1 76 . 6 1 1 A 8 8 GLY HA3 H 8 3.528 3.823 -0.295 1 1 77 . 6 1 1 A 8 8 GLY C C 8 173.822 174.331 -0.509 1 1 78 . 6 1 1 A 8 8 GLY CA C 8 45.360 45.474 -0.114 1 1 79 . 6 1 1 A 8 8 GLY N N 8 104.280 104.687 -0.407 1 1 80 . 6 1 1 A 9 9 GLY H H 9 7.942 8.183 -0.241 1 1 81 . 6 1 1 A 9 9 GLY HA2 H 9 4.815 4.281 0.534 1 1 82 . 6 1 1 A 9 9 GLY HA3 H 9 3.715 4.305 -0.590 1 1 83 . 6 1 1 A 9 9 GLY C C 9 171.262 173.143 -1.881 1 1 84 . 6 1 1 A 9 9 GLY CA C 9 43.172 44.742 -1.570 1 1 85 . 6 1 1 A 9 9 GLY N N 9 109.823 107.778 2.045 1 1 86 . 6 1 1 A 10 10 PRO HA H 10 4.640 4.634 0.006 1 1 93 . 6 1 1 A 10 10 PRO C C 10 177.097 176.435 0.662 1 1 94 . 6 1 1 A 10 10 PRO CA C 10 63.952 63.073 0.879 1 1 95 . 6 1 1 A 10 10 PRO CB C 10 32.509 32.484 0.025 1 1 98 . 6 1 1 A 11 11 VAL H H 11 7.770 8.627 -0.857 1 1 99 . 6 1 1 A 11 11 VAL HA H 11 4.632 4.882 -0.250 1 1 107 . 6 1 1 A 11 11 VAL C C 11 174.462 174.343 0.119 1 1 108 . 6 1 1 A 11 11 VAL CA C 11 59.304 59.457 -0.153 1 1 109 . 6 1 1 A 11 11 VAL CB C 11 35.516 35.420 0.096 1 1 112 . 6 1 1 A 11 11 VAL N N 11 115.495 116.608 -1.113 1 1 113 . 6 1 1 A 12 12 THR H H 12 10.773 8.991 1.782 1 1 114 . 6 1 1 A 12 12 THR HA H 12 4.425 4.472 -0.047 1 1 119 . 6 1 1 A 12 12 THR C C 12 173.505 173.395 0.110 1 1 120 . 6 1 1 A 12 12 THR CA C 12 62.312 62.146 0.166 1 1 121 . 6 1 1 A 12 12 THR CB C 12 69.694 69.881 -0.187 1 1 123 . 6 1 1 A 12 12 THR N N 12 121.940 120.670 1.270 1 1 124 . 6 1 1 A 13 13 LEU H H 13 8.524 8.341 0.183 1 1 125 . 6 1 1 A 13 13 LEU HA H 13 5.132 5.137 -0.005 1 1 135 . 6 1 1 A 13 13 LEU C C 13 177.285 175.922 1.363 1 1 136 . 6 1 1 A 13 13 LEU CA C 13 53.289 53.390 -0.101 1 1 137 . 6 1 1 A 13 13 LEU CB C 13 42.352 46.245 -3.893 1 1 141 . 6 1 1 A 13 13 LEU N N 13 125.550 123.460 2.090 1 1 142 . 6 1 1 A 14 14 VAL H H 14 8.962 8.899 0.063 1 1 143 . 6 1 1 A 14 14 VAL HA H 14 3.859 4.540 -0.681 1 1 151 . 6 1 1 A 14 14 VAL C C 14 174.604 176.793 -2.189 1 1 152 . 6 1 1 A 14 14 VAL CA C 14 62.312 60.768 1.544 1 1 153 . 6 1 1 A 14 14 VAL CB C 14 32.509 33.943 -1.434 1 1 156 . 6 1 1 A 14 14 VAL N N 14 126.968 122.110 4.858 1 1 157 . 6 1 1 A 15 15 GLY H H 15 7.838 8.729 -0.891 1 1 158 . 6 1 1 A 15 15 GLY HA2 H 15 5.132 3.914 1.218 1 1 159 . 6 1 1 A 15 15 GLY HA3 H 15 3.730 3.927 -0.197 1 1 160 . 6 1 1 A 15 15 GLY C C 15 174.542 174.299 0.243 1 1 161 . 6 1 1 A 15 15 GLY CA C 15 43.446 44.860 -1.414 1 1 162 . 6 1 1 A 15 15 GLY N N 15 110.596 114.272 -3.676 1 1 163 . 6 1 1 A 16 16 GLN H H 16 8.247 8.312 -0.065 1 1 164 . 6 1 1 A 16 16 GLN HA H 16 4.347 4.274 0.073 1 1 171 . 6 1 1 A 16 16 GLN C C 16 174.876 175.445 -0.569 1 1 172 . 6 1 1 A 16 16 GLN CA C 16 54.656 57.818 -3.162 1 1 173 . 6 1 1 A 16 16 GLN CB C 16 30.321 27.857 2.464 1 1 175 . 6 1 1 A 16 16 GLN N N 16 120.522 118.927 1.595 1 1 177 . 6 1 1 A 17 17 GLU H H 17 8.149 8.272 -0.123 1 1 178 . 6 1 1 A 17 17 GLU HA H 17 3.938 4.159 -0.221 1 1 183 . 6 1 1 A 17 17 GLU C C 17 176.607 176.513 0.094 1 1 184 . 6 1 1 A 17 17 GLU CA C 17 57.117 56.213 0.904 1 1 185 . 6 1 1 A 17 17 GLU CB C 17 30.321 30.000 0.321 1 1 187 . 6 1 1 A 17 17 GLU N N 17 123.616 120.388 3.228 1 1 188 . 6 1 1 A 18 18 VAL H H 18 8.605 9.061 -0.456 1 1 189 . 6 1 1 A 18 18 VAL HA H 18 4.047 5.119 -1.072 1 1 197 . 6 1 1 A 18 18 VAL C C 18 174.386 174.300 0.086 1 1 198 . 6 1 1 A 18 18 VAL CA C 18 61.765 58.726 3.039 1 1 199 . 6 1 1 A 18 18 VAL CB C 18 32.782 35.741 -2.959 1 1 202 . 6 1 1 A 18 18 VAL N N 18 125.936 114.181 11.755 1 1 203 . 6 1 1 A 19 19 LYS H H 19 8.461 8.887 -0.426 1 1 204 . 6 1 1 A 19 19 LYS HA H 19 4.624 4.972 -0.348 1 1 213 . 6 1 1 A 19 19 LYS C C 19 176.457 174.843 1.614 1 1 214 . 6 1 1 A 19 19 LYS CA C 19 53.562 54.456 -0.894 1 1 215 . 6 1 1 A 19 19 LYS CB C 19 34.423 35.902 -1.479 1 1 219 . 6 1 1 A 19 19 LYS N N 19 123.874 120.148 3.726 1 1 220 . 6 1 1 A 20 20 VAL H H 20 8.349 8.470 -0.121 1 1 221 . 6 1 1 A 20 20 VAL HA H 20 3.421 4.050 -0.629 1 1 229 . 6 1 1 A 20 20 VAL C C 20 177.624 176.910 0.714 1 1 230 . 6 1 1 A 20 20 VAL CA C 20 65.593 63.456 2.137 1 1 231 . 6 1 1 A 20 20 VAL CB C 20 31.415 31.645 -0.230 1 1 234 . 6 1 1 A 20 20 VAL N N 20 120.393 122.082 -1.689 1 1 235 . 6 1 1 A 21 21 GLY H H 21 9.338 9.499 -0.161 1 1 236 . 6 1 1 A 21 21 GLY HA2 H 21 4.566 4.038 0.528 1 1 237 . 6 1 1 A 21 21 GLY HA3 H 21 3.536 4.044 -0.508 1 1 238 . 6 1 1 A 21 21 GLY C C 21 174.160 174.650 -0.490 1 1 239 . 6 1 1 A 21 21 GLY CA C 21 44.539 45.189 -0.650 1 1 240 . 6 1 1 A 21 21 GLY N N 21 117.429 117.793 -0.364 1 1 241 . 6 1 1 A 22 22 ASP H H 22 8.222 8.186 0.036 1 1 242 . 6 1 1 A 22 22 ASP HA H 22 4.650 4.579 0.071 1 1 245 . 6 1 1 A 22 22 ASP C C 22 176.231 175.982 0.249 1 1 246 . 6 1 1 A 22 22 ASP CA C 22 54.382 54.885 -0.503 1 1 247 . 6 1 1 A 22 22 ASP CB C 22 40.985 41.426 -0.441 1 1 248 . 6 1 1 A 22 22 ASP N N 22 121.811 121.582 0.229 1 1 249 . 6 1 1 A 23 23 GLN H H 23 8.598 8.003 0.595 1 1 250 . 6 1 1 A 23 23 GLN HA H 23 4.224 4.032 0.192 1 1 257 . 6 1 1 A 23 23 GLN C C 23 175.892 174.927 0.965 1 1 258 . 6 1 1 A 23 23 GLN CA C 23 55.203 56.565 -1.362 1 1 259 . 6 1 1 A 23 23 GLN CB C 23 28.954 27.294 1.660 1 1 261 . 6 1 1 A 23 23 GLN N N 23 119.491 118.312 1.179 1 1 263 . 6 1 1 A 24 24 ALA H H 24 8.664 8.199 0.465 1 1 264 . 6 1 1 A 24 24 ALA HA H 24 4.030 4.124 -0.094 1 1 268 . 6 1 1 A 24 24 ALA C C 24 174.386 177.712 -3.326 1 1 269 . 6 1 1 A 24 24 ALA CA C 24 51.101 50.621 0.480 1 1 270 . 6 1 1 A 24 24 ALA CB C 24 19.111 18.609 0.502 1 1 271 . 6 1 1 A 24 24 ALA N N 24 129.804 128.688 1.116 1 1 272 . 6 1 1 A 25 25 PRO HA H 25 4.422 4.247 0.175 1 1 279 . 6 1 1 A 25 25 PRO C C 25 173.596 177.017 -3.421 1 1 280 . 6 1 1 A 25 25 PRO CA C 25 61.765 64.444 -2.679 1 1 281 . 6 1 1 A 25 25 PRO CB C 25 32.509 31.923 0.586 1 1 284 . 6 1 1 A 26 26 ASP H H 26 7.546 8.181 -0.635 1 1 285 . 6 1 1 A 26 26 ASP HA H 26 4.411 4.373 0.038 1 1 288 . 6 1 1 A 26 26 ASP C C 26 175.591 174.659 0.932 1 1 289 . 6 1 1 A 26 26 ASP CA C 26 54.656 54.823 -0.167 1 1 290 . 6 1 1 A 26 26 ASP CB C 26 42.625 39.380 3.245 1 1 291 . 6 1 1 A 26 26 ASP N N 26 114.979 118.757 -3.778 1 1 292 . 6 1 1 A 27 27 PHE H H 27 7.379 9.125 -1.746 1 1 293 . 6 1 1 A 27 27 PHE HA H 27 4.659 5.084 -0.425 1 1 295 . 6 1 1 A 27 27 PHE C C 27 173.407 175.397 -1.990 1 1 296 . 6 1 1 A 27 27 PHE CA C 27 56.570 56.867 -0.297 1 1 297 . 6 1 1 A 27 27 PHE CB C 27 39.891 43.781 -3.890 1 1 298 . 6 1 1 A 27 27 PHE N N 27 113.561 124.690 -11.129 1 1 299 . 6 1 1 A 28 28 THR H H 28 8.540 8.702 -0.162 1 1 300 . 6 1 1 A 28 28 THR HA H 28 4.936 4.565 0.371 1 1 305 . 6 1 1 A 28 28 THR C C 28 173.443 174.340 -0.897 1 1 306 . 6 1 1 A 28 28 THR CA C 28 62.889 62.187 0.702 1 1 307 . 6 1 1 A 28 28 THR CB C 28 72.155 70.175 1.980 1 1 309 . 6 1 1 A 28 28 THR N N 28 114.593 113.902 0.691 1 1 310 . 6 1 1 A 29 29 VAL H H 29 9.120 8.897 0.223 1 1 311 . 6 1 1 A 29 29 VAL HA H 29 4.863 5.011 -0.148 1 1 319 . 6 1 1 A 29 29 VAL C C 29 173.558 174.581 -1.023 1 1 320 . 6 1 1 A 29 29 VAL CA C 29 59.527 59.182 0.345 1 1 321 . 6 1 1 A 29 29 VAL CB C 29 35.243 36.394 -1.151 1 1 324 . 6 1 1 A 29 29 VAL N N 29 119.233 116.498 2.735 1 1 325 . 6 1 1 A 30 30 LEU H H 30 8.565 9.004 -0.439 1 1 326 . 6 1 1 A 30 30 LEU HA H 30 5.615 5.234 0.381 1 1 336 . 6 1 1 A 30 30 LEU C C 30 180.310 177.042 3.268 1 1 337 . 6 1 1 A 30 30 LEU CA C 30 53.562 53.002 0.560 1 1 338 . 6 1 1 A 30 30 LEU CB C 30 47.547 44.895 2.652 1 1 342 . 6 1 1 A 30 30 LEU N N 30 117.429 121.749 -4.320 1 1 343 . 6 1 1 A 31 31 THR H H 31 9.587 8.435 1.152 1 1 344 . 6 1 1 A 31 31 THR HA H 31 4.741 4.605 0.136 1 1 349 . 6 1 1 A 31 31 THR C C 31 176.457 175.570 0.887 1 1 350 . 6 1 1 A 31 31 THR CA C 31 60.632 60.490 0.142 1 1 351 . 6 1 1 A 31 31 THR CB C 31 71.451 71.348 0.103 1 1 353 . 6 1 1 A 31 31 THR N N 31 114.721 115.279 -0.558 1 1 354 . 6 1 1 A 32 32 ASN H H 32 9.812 8.975 0.837 1 1 355 . 6 1 1 A 32 32 ASN HA H 32 4.352 4.401 -0.049 1 1 358 . 6 1 1 A 32 32 ASN C C 32 175.252 176.375 -1.123 1 1 359 . 6 1 1 A 32 32 ASN CA C 32 55.476 56.100 -0.624 1 1 360 . 6 1 1 A 32 32 ASN CB C 32 38.524 38.609 -0.085 1 1 361 . 6 1 1 A 32 32 ASN N N 32 118.460 120.471 -2.011 1 1 362 . 6 1 1 A 33 33 SER H H 33 7.782 7.312 0.470 1 1 363 . 6 1 1 A 33 33 SER HA H 33 4.562 4.635 -0.073 1 1 366 . 6 1 1 A 33 33 SER C C 33 173.822 173.219 0.603 1 1 367 . 6 1 1 A 33 33 SER CA C 33 57.390 57.779 -0.389 1 1 368 . 6 1 1 A 33 33 SER CB C 33 62.859 63.264 -0.405 1 1 369 . 6 1 1 A 33 33 SER N N 33 110.725 111.954 -1.229 1 1 370 . 6 1 1 A 34 34 LEU H H 34 8.342 7.991 0.351 1 1 371 . 6 1 1 A 34 34 LEU HA H 34 3.686 3.873 -0.187 1 1 381 . 6 1 1 A 34 34 LEU C C 34 175.516 176.053 -0.537 1 1 382 . 6 1 1 A 34 34 LEU CA C 34 57.117 56.154 0.963 1 1 383 . 6 1 1 A 34 34 LEU CB C 34 37.430 40.133 -2.703 1 1 387 . 6 1 1 A 34 34 LEU N N 34 116.913 118.855 -1.942 1 1 388 . 6 1 1 A 35 35 GLU H H 35 7.538 8.100 -0.562 1 1 389 . 6 1 1 A 35 35 GLU HA H 35 4.546 4.301 0.245 1 1 394 . 6 1 1 A 35 35 GLU C C 35 176.005 176.625 -0.620 1 1 395 . 6 1 1 A 35 35 GLU CA C 35 54.929 56.775 -1.846 1 1 396 . 6 1 1 A 35 35 GLU CB C 35 30.868 30.504 0.364 1 1 398 . 6 1 1 A 35 35 GLU N N 35 117.429 117.862 -0.433 1 1 399 . 6 1 1 A 36 36 GLU H H 36 8.681 8.726 -0.045 1 1 400 . 6 1 1 A 36 36 GLU HA H 36 4.740 4.455 0.285 1 1 405 . 6 1 1 A 36 36 GLU C C 36 176.833 175.894 0.939 1 1 406 . 6 1 1 A 36 36 GLU CA C 36 56.923 55.871 1.052 1 1 407 . 6 1 1 A 36 36 GLU CB C 36 30.868 28.304 2.564 1 1 409 . 6 1 1 A 36 36 GLU N N 36 121.296 123.368 -2.072 1 1 410 . 6 1 1 A 37 37 LYS H H 37 9.122 8.101 1.021 1 1 411 . 6 1 1 A 37 37 LYS HA H 37 4.639 4.213 0.426 1 1 420 . 6 1 1 A 37 37 LYS C C 37 173.671 175.433 -1.762 1 1 421 . 6 1 1 A 37 37 LYS CA C 37 55.476 56.603 -1.127 1 1 422 . 6 1 1 A 37 37 LYS CB C 37 35.243 33.036 2.207 1 1 426 . 6 1 1 A 37 37 LYS N N 37 125.292 123.920 1.372 1 1 427 . 6 1 1 A 38 38 SER H H 38 9.337 8.528 0.809 1 1 428 . 6 1 1 A 38 38 SER HA H 38 5.310 4.933 0.377 1 1 431 . 6 1 1 A 38 38 SER C C 38 175.102 174.619 0.483 1 1 432 . 6 1 1 A 38 38 SER CA C 38 56.296 57.479 -1.183 1 1 433 . 6 1 1 A 38 38 SER CB C 38 67.233 67.263 -0.030 1 1 434 . 6 1 1 A 38 38 SER N N 38 121.811 121.777 0.034 1 1 435 . 6 1 1 A 39 39 LEU H H 39 7.023 8.713 -1.690 1 1 436 . 6 1 1 A 39 39 LEU HA H 39 3.872 4.099 -0.227 1 1 446 . 6 1 1 A 39 39 LEU C C 39 179.845 178.468 1.377 1 1 447 . 6 1 1 A 39 39 LEU CA C 39 58.210 58.448 -0.238 1 1 448 . 6 1 1 A 39 39 LEU CB C 39 40.711 41.740 -1.029 1 1 452 . 6 1 1 A 39 39 LEU N N 39 121.811 127.349 -5.538 1 1 453 . 6 1 1 A 40 40 ALA H H 40 8.447 8.399 0.048 1 1 454 . 6 1 1 A 40 40 ALA HA H 40 3.890 4.088 -0.198 1 1 458 . 6 1 1 A 40 40 ALA C C 40 179.995 179.749 0.246 1 1 459 . 6 1 1 A 40 40 ALA CA C 40 55.203 54.630 0.573 1 1 460 . 6 1 1 A 40 40 ALA CB C 40 18.291 18.240 0.051 1 1 461 . 6 1 1 A 40 40 ALA N N 40 119.362 120.494 -1.132 1 1 462 . 6 1 1 A 41 41 ASP H H 41 7.517 8.178 -0.661 1 1 463 . 6 1 1 A 41 41 ASP HA H 41 4.469 4.383 0.086 1 1 466 . 6 1 1 A 41 41 ASP C C 41 176.720 178.828 -2.108 1 1 467 . 6 1 1 A 41 41 ASP CA C 41 56.296 56.773 -0.477 1 1 468 . 6 1 1 A 41 41 ASP CB C 41 42.079 40.709 1.370 1 1 469 . 6 1 1 A 41 41 ASP N N 41 114.850 118.873 -4.023 1 1 470 . 6 1 1 A 42 42 MET H H 42 7.989 8.024 -0.035 1 1 471 . 6 1 1 A 42 42 MET HA H 42 4.336 4.411 -0.075 1 1 479 . 6 1 1 A 42 42 MET C C 42 175.440 177.383 -1.943 1 1 480 . 6 1 1 A 42 42 MET CA C 42 56.843 58.201 -1.358 1 1 481 . 6 1 1 A 42 42 MET CB C 42 31.962 32.387 -0.425 1 1 484 . 6 1 1 A 42 42 MET N N 42 118.847 116.115 2.732 1 1 485 . 6 1 1 A 43 43 LYS H H 43 6.901 7.676 -0.775 1 1 486 . 6 1 1 A 43 43 LYS HA H 43 4.265 4.187 0.078 1 1 494 . 6 1 1 A 43 43 LYS C C 43 177.435 177.449 -0.014 1 1 495 . 6 1 1 A 43 43 LYS CA C 43 57.664 58.552 -0.888 1 1 496 . 6 1 1 A 43 43 LYS CB C 43 33.329 32.487 0.842 1 1 500 . 6 1 1 A 43 43 LYS N N 43 116.913 119.429 -2.516 1 1 501 . 6 1 1 A 44 44 GLY H H 44 9.268 9.020 0.248 1 1 502 . 6 1 1 A 44 44 GLY HA2 H 44 3.692 4.009 -0.317 1 1 503 . 6 1 1 A 44 44 GLY HA3 H 44 4.596 4.013 0.583 1 1 504 . 6 1 1 A 44 44 GLY C C 44 173.671 173.378 0.293 1 1 505 . 6 1 1 A 44 44 GLY CA C 44 44.813 45.321 -0.508 1 1 506 . 6 1 1 A 44 44 GLY N N 44 111.112 112.555 -1.443 1 1 507 . 6 1 1 A 45 45 LYS H H 45 7.516 7.324 0.192 1 1 508 . 6 1 1 A 45 45 LYS HA H 45 4.754 4.789 -0.035 1 1 515 . 6 1 1 A 45 45 LYS C C 45 175.214 174.627 0.587 1 1 516 . 6 1 1 A 45 45 LYS CA C 45 54.820 54.939 -0.119 1 1 517 . 6 1 1 A 45 45 LYS CB C 45 36.883 36.167 0.716 1 1 521 . 6 1 1 A 45 45 LYS N N 45 117.944 121.077 -3.133 1 1 522 . 6 1 1 A 46 46 VAL H H 46 8.887 8.657 0.230 1 1 523 . 6 1 1 A 46 46 VAL HA H 46 3.950 4.115 -0.165 1 1 531 . 6 1 1 A 46 46 VAL C C 46 174.876 175.411 -0.535 1 1 532 . 6 1 1 A 46 46 VAL CA C 46 64.773 63.333 1.440 1 1 533 . 6 1 1 A 46 46 VAL CB C 46 31.962 32.157 -0.195 1 1 536 . 6 1 1 A 46 46 VAL N N 46 124.776 123.639 1.137 1 1 537 . 6 1 1 A 47 47 THR H H 47 8.956 9.069 -0.113 1 1 538 . 6 1 1 A 47 47 THR HA H 47 5.300 5.336 -0.036 1 1 543 . 6 1 1 A 47 47 THR C C 47 172.579 173.490 -0.911 1 1 544 . 6 1 1 A 47 47 THR CA C 47 62.312 61.385 0.927 1 1 545 . 6 1 1 A 47 47 THR CB C 47 73.249 72.438 0.811 1 1 547 . 6 1 1 A 47 47 THR N N 47 124.132 122.182 1.950 1 1 548 . 6 1 1 A 48 48 ILE H H 48 9.160 9.043 0.117 1 1 549 . 6 1 1 A 48 48 ILE HA H 48 4.740 4.947 -0.207 1 1 559 . 6 1 1 A 48 48 ILE C C 48 173.972 175.304 -1.332 1 1 560 . 6 1 1 A 48 48 ILE CA C 48 61.441 60.145 1.296 1 1 561 . 6 1 1 A 48 48 ILE CB C 48 40.438 42.054 -1.616 1 1 565 . 6 1 1 A 48 48 ILE N N 48 128.515 124.728 3.787 1 1 566 . 6 1 1 A 49 49 ILE H H 49 9.507 9.199 0.308 1 1 567 . 6 1 1 A 49 49 ILE HA H 49 4.883 4.875 0.008 1 1 577 . 6 1 1 A 49 49 ILE C C 49 174.650 175.359 -0.709 1 1 578 . 6 1 1 A 49 49 ILE CA C 49 60.773 60.597 0.176 1 1 579 . 6 1 1 A 49 49 ILE CB C 49 41.532 40.344 1.188 1 1 583 . 6 1 1 A 49 49 ILE N N 49 126.194 127.855 -1.661 1 1 584 . 6 1 1 A 50 50 SER H H 50 9.079 9.248 -0.169 1 1 585 . 6 1 1 A 50 50 SER HA H 50 5.138 5.015 0.123 1 1 588 . 6 1 1 A 50 50 SER C C 50 172.692 173.749 -1.057 1 1 589 . 6 1 1 A 50 50 SER CA C 50 56.843 58.713 -1.870 1 1 590 . 6 1 1 A 50 50 SER CB C 50 64.773 64.270 0.503 1 1 591 . 6 1 1 A 50 50 SER N N 50 121.940 124.616 -2.676 1 1 592 . 6 1 1 A 51 51 VAL H H 51 9.010 8.694 0.316 1 1 593 . 6 1 1 A 51 51 VAL HA H 51 4.873 5.106 -0.233 1 1 601 . 6 1 1 A 51 51 VAL CA C 51 61.595 60.675 0.920 1 1 602 . 6 1 1 A 51 51 VAL CB C 51 32.509 35.649 -3.140 1 1 605 . 6 1 1 A 51 51 VAL N N 51 128.128 123.175 4.953 1 1 606 . 6 1 1 A 52 52 ILE H H 52 8.182 8.766 -0.584 1 1 607 . 6 1 1 A 52 52 ILE HA H 52 4.862 4.742 0.120 1 1 616 . 6 1 1 A 52 52 ILE CA C 52 58.026 57.373 0.653 1 1 617 . 6 1 1 A 52 52 ILE CB C 52 43.172 40.443 2.729 1 1 621 . 6 1 1 A 52 52 ILE N N 52 124.776 122.490 2.286 1 1 622 . 6 1 1 A 53 53 PRO HA H 53 4.904 4.552 0.352 1 1 629 . 6 1 1 A 53 53 PRO CA C 53 65.560 64.883 0.677 1 1 630 . 6 1 1 A 53 53 PRO CB C 53 31.826 32.201 -0.375 1 1 633 . 6 1 1 A 54 54 SER H H 54 7.214 7.688 -0.474 1 1 634 . 6 1 1 A 54 54 SER HA H 54 5.100 4.818 0.282 1 1 637 . 6 1 1 A 54 54 SER CA C 54 57.417 57.532 -0.115 1 1 638 . 6 1 1 A 54 54 SER CB C 54 65.195 67.481 -2.286 1 1 639 . 6 1 1 A 54 54 SER N N 54 107.901 112.690 -4.789 1 1 640 . 6 1 1 A 55 55 ILE H H 55 7.330 8.771 -1.441 1 1 641 . 6 1 1 A 55 55 ILE HA H 55 5.075 4.646 0.429 1 1 651 . 6 1 1 A 55 55 ILE CA C 55 61.734 61.156 0.578 1 1 652 . 6 1 1 A 55 55 ILE CB C 55 36.233 38.935 -2.702 1 1 656 . 6 1 1 A 56 56 ASP H H 56 8.699 8.019 0.680 1 1 657 . 6 1 1 A 56 56 ASP HA H 56 5.075 4.452 0.623 1 1 660 . 6 1 1 A 56 56 ASP CA C 56 54.407 56.766 -2.359 1 1 661 . 6 1 1 A 56 56 ASP CB C 56 42.832 41.599 1.233 1 1 662 . 6 1 1 A 56 56 ASP N N 56 121.940 123.120 -1.180 1 1 663 . 6 1 1 A 57 57 THR H H 57 7.294 7.847 -0.553 1 1 664 . 6 1 1 A 57 57 THR HA H 57 4.323 4.276 0.047 1 1 669 . 6 1 1 A 57 57 THR C C 57 175.440 176.083 -0.643 1 1 670 . 6 1 1 A 57 57 THR CA C 57 61.765 63.418 -1.653 1 1 671 . 6 1 1 A 57 57 THR CB C 57 69.421 70.478 -1.057 1 1 673 . 6 1 1 A 57 57 THR N N 57 108.921 109.031 -0.110 1 1 674 . 6 1 1 A 58 58 GLY H H 58 8.215 7.868 0.347 1 1 675 . 6 1 1 A 58 58 GLY HA2 H 58 4.012 3.973 0.039 1 1 676 . 6 1 1 A 58 58 GLY HA3 H 58 4.012 3.988 0.024 1 1 677 . 6 1 1 A 58 58 GLY C C 58 173.520 175.287 -1.767 1 1 678 . 6 1 1 A 58 58 GLY CA C 58 45.360 45.984 -0.624 1 1 679 . 6 1 1 A 58 58 GLY N N 58 110.969 110.061 0.908 1 1 680 . 6 1 1 A 59 59 VAL H H 59 7.976 8.058 -0.082 1 1 681 . 6 1 1 A 59 59 VAL HA H 59 4.307 3.932 0.375 1 1 689 . 6 1 1 A 59 59 VAL C C 59 175.854 177.892 -2.038 1 1 690 . 6 1 1 A 59 59 VAL CA C 59 61.765 64.597 -2.832 1 1 691 . 6 1 1 A 59 59 VAL CB C 59 33.329 31.292 2.037 1 1 694 . 6 1 1 A 59 59 VAL N N 59 118.501 117.717 0.784 1 1 696 . 6 1 1 A 61 61 ASP HA H 61 4.323 4.393 -0.070 1 1 697 . 6 1 1 A 61 61 ASP CA C 61 54.382 56.686 -2.304 1 1 698 . 6 1 1 A 61 61 ASP CB C 61 39.142 40.780 -1.638 1 1 699 . 6 1 1 A 62 62 ALA H H 62 8.663 7.866 0.797 1 1 700 . 6 1 1 A 62 62 ALA HA H 62 3.971 4.460 -0.489 1 1 704 . 6 1 1 A 62 62 ALA C C 62 180.485 177.007 3.478 1 1 705 . 6 1 1 A 62 62 ALA CA C 62 55.203 51.423 3.780 1 1 706 . 6 1 1 A 62 62 ALA CB C 62 18.838 20.785 -1.947 1 1 707 . 6 1 1 A 63 63 GLN H H 63 8.550 7.169 1.381 1 1 708 . 6 1 1 A 63 63 GLN HA H 63 3.865 3.350 0.515 1 1 715 . 6 1 1 A 63 63 GLN C C 63 178.527 177.538 0.989 1 1 716 . 6 1 1 A 63 63 GLN CA C 63 59.346 54.395 4.951 1 1 717 . 6 1 1 A 63 63 GLN CB C 63 28.635 29.153 -0.518 1 1 719 . 6 1 1 A 63 63 GLN N N 63 117.429 116.063 1.366 1 1 721 . 6 1 1 A 64 64 THR H H 64 8.121 8.493 -0.372 1 1 722 . 6 1 1 A 64 64 THR HA H 64 3.624 4.118 -0.494 1 1 727 . 6 1 1 A 64 64 THR C C 64 178.527 176.570 1.957 1 1 728 . 6 1 1 A 64 64 THR CA C 64 66.686 65.880 0.806 1 1 729 . 6 1 1 A 64 64 THR CB C 64 68.600 68.455 0.145 1 1 731 . 6 1 1 A 64 64 THR N N 64 118.460 112.703 5.757 1 1 732 . 6 1 1 A 65 65 ARG H H 65 7.530 8.083 -0.553 1 1 733 . 6 1 1 A 65 65 ARG HA H 65 3.904 4.101 -0.197 1 1 739 . 6 1 1 A 65 65 ARG CA C 65 59.507 59.786 -0.279 1 1 740 . 6 1 1 A 65 65 ARG CB C 65 29.637 30.098 -0.461 1 1 743 . 6 1 1 A 66 66 ARG H H 66 7.972 8.017 -0.045 1 1 744 . 6 1 1 A 66 66 ARG HA H 66 4.056 4.001 0.055 1 1 751 . 6 1 1 A 66 66 ARG C C 66 177.624 178.485 -0.861 1 1 752 . 6 1 1 A 66 66 ARG CA C 66 59.031 59.135 -0.104 1 1 753 . 6 1 1 A 66 66 ARG CB C 66 29.228 29.952 -0.724 1 1 756 . 6 1 1 A 66 66 ARG N N 66 118.460 119.624 -1.164 1 1 757 . 6 1 1 A 67 67 PHE H H 67 7.673 8.440 -0.767 1 1 758 . 6 1 1 A 67 67 PHE HA H 67 4.260 4.396 -0.136 1 1 763 . 6 1 1 A 67 67 PHE C C 67 176.043 177.377 -1.334 1 1 764 . 6 1 1 A 67 67 PHE CA C 67 60.945 61.165 -0.220 1 1 765 . 6 1 1 A 67 67 PHE CB C 67 39.071 39.066 0.005 1 1 766 . 6 1 1 A 67 67 PHE N N 67 119.362 120.540 -1.178 1 1 767 . 6 1 1 A 68 68 ASN H H 68 7.688 8.848 -1.160 1 1 768 . 6 1 1 A 68 68 ASN HA H 68 4.150 3.880 0.270 1 1 771 . 6 1 1 A 68 68 ASN C C 68 177.172 177.624 -0.452 1 1 772 . 6 1 1 A 68 68 ASN CA C 68 55.750 56.085 -0.335 1 1 773 . 6 1 1 A 68 68 ASN CB C 68 37.977 37.646 0.331 1 1 774 . 6 1 1 A 68 68 ASN N N 68 117.042 117.222 -0.180 1 1 775 . 6 1 1 A 69 69 GLU H H 69 8.185 8.507 -0.322 1 1 776 . 6 1 1 A 69 69 GLU HA H 69 3.848 4.009 -0.161 1 1 781 . 6 1 1 A 69 69 GLU C C 69 179.468 179.221 0.247 1 1 782 . 6 1 1 A 69 69 GLU CA C 69 59.577 59.079 0.498 1 1 783 . 6 1 1 A 69 69 GLU CB C 69 30.321 29.206 1.115 1 1 785 . 6 1 1 A 69 69 GLU N N 69 118.975 119.695 -0.720 1 1 786 . 6 1 1 A 70 70 GLU H H 70 8.671 7.888 0.783 1 1 787 . 6 1 1 A 70 70 GLU HA H 70 3.807 3.954 -0.147 1 1 792 . 6 1 1 A 70 70 GLU C C 70 179.468 178.920 0.548 1 1 793 . 6 1 1 A 70 70 GLU CA C 70 58.757 58.877 -0.120 1 1 794 . 6 1 1 A 70 70 GLU CB C 70 29.501 29.823 -0.322 1 1 796 . 6 1 1 A 70 70 GLU N N 70 118.975 119.602 -0.627 1 1 797 . 6 1 1 A 71 71 ALA H H 71 8.418 8.200 0.218 1 1 798 . 6 1 1 A 71 71 ALA HA H 71 3.616 3.928 -0.312 1 1 802 . 6 1 1 A 71 71 ALA C C 71 178.226 179.975 -1.749 1 1 803 . 6 1 1 A 71 71 ALA CA C 71 54.656 54.782 -0.126 1 1 804 . 6 1 1 A 71 71 ALA CB C 71 18.017 17.464 0.553 1 1 805 . 6 1 1 A 71 71 ALA N N 71 122.069 123.099 -1.030 1 1 806 . 6 1 1 A 72 72 ALA H H 72 7.520 8.185 -0.665 1 1 807 . 6 1 1 A 72 72 ALA HA H 72 3.842 3.954 -0.112 1 1 811 . 6 1 1 A 72 72 ALA C C 72 179.280 178.494 0.786 1 1 812 . 6 1 1 A 72 72 ALA CA C 72 54.109 54.630 -0.521 1 1 813 . 6 1 1 A 72 72 ALA CB C 72 18.564 18.040 0.524 1 1 814 . 6 1 1 A 72 72 ALA N N 72 116.139 119.446 -3.307 1 1 815 . 6 1 1 A 73 73 LYS H H 73 7.302 7.445 -0.143 1 1 816 . 6 1 1 A 73 73 LYS HA H 73 4.129 4.173 -0.044 1 1 825 . 6 1 1 A 73 73 LYS C C 73 177.661 178.683 -1.022 1 1 826 . 6 1 1 A 73 73 LYS CA C 73 57.116 57.585 -0.469 1 1 827 . 6 1 1 A 73 73 LYS CB C 73 32.782 32.558 0.224 1 1 831 . 6 1 1 A 73 73 LYS N N 73 114.850 116.671 -1.821 1 1 832 . 6 1 1 A 74 74 LEU H H 74 7.398 7.479 -0.081 1 1 833 . 6 1 1 A 74 74 LEU HA H 74 3.983 4.073 -0.090 1 1 843 . 6 1 1 A 74 74 LEU C C 74 177.021 176.746 0.275 1 1 844 . 6 1 1 A 74 74 LEU CA C 74 56.843 56.338 0.505 1 1 845 . 6 1 1 A 74 74 LEU CB C 74 42.625 42.831 -0.206 1 1 849 . 6 1 1 A 74 74 LEU N N 74 118.460 119.229 -0.769 1 1 850 . 6 1 1 A 75 75 GLY H H 75 7.174 7.226 -0.052 1 1 851 . 6 1 1 A 75 75 GLY HA2 H 75 4.215 4.074 0.141 1 1 852 . 6 1 1 A 75 75 GLY HA3 H 75 3.630 4.077 -0.447 1 1 853 . 6 1 1 A 75 75 GLY C C 75 172.805 173.705 -0.900 1 1 854 . 6 1 1 A 75 75 GLY CA C 75 45.360 45.706 -0.346 1 1 855 . 6 1 1 A 75 75 GLY N N 75 102.991 104.811 -1.820 1 1 856 . 6 1 1 A 76 76 ASP H H 76 8.825 8.619 0.206 1 1 857 . 6 1 1 A 76 76 ASP HA H 76 4.766 4.685 0.081 1 1 860 . 6 1 1 A 76 76 ASP C C 76 173.749 175.744 -1.995 1 1 861 . 6 1 1 A 76 76 ASP CA C 76 53.708 54.076 -0.368 1 1 862 . 6 1 1 A 76 76 ASP CB C 76 39.071 40.703 -1.632 1 1 863 . 6 1 1 A 76 76 ASP N N 76 126.839 121.885 4.954 1 1 864 . 6 1 1 A 77 77 VAL H H 77 7.511 7.434 0.077 1 1 865 . 6 1 1 A 77 77 VAL HA H 77 4.772 4.040 0.732 1 1 873 . 6 1 1 A 77 77 VAL C C 77 175.629 175.775 -0.146 1 1 874 . 6 1 1 A 77 77 VAL CA C 77 58.959 62.089 -3.130 1 1 875 . 6 1 1 A 77 77 VAL CB C 77 34.970 32.570 2.400 1 1 878 . 6 1 1 A 77 77 VAL N N 77 115.615 117.797 -2.182 1 1 879 . 6 1 1 A 78 78 ASN H H 78 8.822 8.589 0.233 1 1 880 . 6 1 1 A 78 78 ASN HA H 78 4.820 4.656 0.164 1 1 885 . 6 1 1 A 78 78 ASN C C 78 174.047 175.230 -1.183 1 1 886 . 6 1 1 A 78 78 ASN CA C 78 52.085 53.602 -1.517 1 1 887 . 6 1 1 A 78 78 ASN CB C 78 40.438 38.707 1.731 1 1 888 . 6 1 1 A 78 78 ASN N N 78 120.393 122.605 -2.212 1 1 890 . 6 1 1 A 79 79 VAL H H 79 8.044 8.533 -0.489 1 1 891 . 6 1 1 A 79 79 VAL HA H 79 4.669 4.868 -0.199 1 1 899 . 6 1 1 A 79 79 VAL C C 79 174.123 173.706 0.417 1 1 900 . 6 1 1 A 79 79 VAL CA C 79 61.491 59.858 1.633 1 1 901 . 6 1 1 A 79 79 VAL CB C 79 33.329 34.678 -1.349 1 1 904 . 6 1 1 A 79 79 VAL N N 79 122.456 117.267 5.189 1 1 905 . 6 1 1 A 80 80 TYR H H 80 8.944 9.043 -0.099 1 1 906 . 6 1 1 A 80 80 TYR HA H 80 6.170 5.325 0.845 1 1 911 . 6 1 1 A 80 80 TYR C C 80 177.210 175.262 1.948 1 1 912 . 6 1 1 A 80 80 TYR CA C 80 54.929 55.730 -0.801 1 1 913 . 6 1 1 A 80 80 TYR CB C 80 42.899 43.017 -0.118 1 1 914 . 6 1 1 A 80 80 TYR N N 80 123.229 124.319 -1.090 1 1 915 . 6 1 1 A 81 81 THR H H 81 8.465 8.862 -0.397 1 1 916 . 6 1 1 A 81 81 THR HA H 81 5.652 5.318 0.334 1 1 921 . 6 1 1 A 81 81 THR C C 81 172.880 172.956 -0.076 1 1 922 . 6 1 1 A 81 81 THR CA C 81 62.038 61.625 0.413 1 1 923 . 6 1 1 A 81 81 THR CB C 81 71.608 71.087 0.521 1 1 925 . 6 1 1 A 81 81 THR N N 81 119.491 115.659 3.832 1 1 926 . 6 1 1 A 82 82 ILE H H 82 8.958 9.329 -0.371 1 1 927 . 6 1 1 A 82 82 ILE HA H 82 5.145 4.863 0.282 1 1 937 . 6 1 1 A 82 82 ILE C C 82 174.123 174.737 -0.614 1 1 938 . 6 1 1 A 82 82 ILE CA C 82 59.847 60.056 -0.209 1 1 939 . 6 1 1 A 82 82 ILE CB C 82 39.618 39.630 -0.012 1 1 943 . 6 1 1 A 82 82 ILE N N 82 125.550 129.441 -3.891 1 1 944 . 6 1 1 A 83 83 SER H H 83 7.731 8.527 -0.796 1 1 945 . 6 1 1 A 83 83 SER HA H 83 4.909 5.227 -0.318 1 1 948 . 6 1 1 A 83 83 SER C C 83 173.182 173.270 -0.088 1 1 949 . 6 1 1 A 83 83 SER CA C 83 57.034 57.830 -0.796 1 1 950 . 6 1 1 A 83 83 SER CB C 83 68.054 67.265 0.789 1 1 951 . 6 1 1 A 83 83 SER N N 83 117.171 121.317 -4.146 1 1 952 . 6 1 1 A 84 84 ALA H H 84 9.548 8.764 0.784 1 1 953 . 6 1 1 A 84 84 ALA HA H 84 4.177 4.565 -0.388 1 1 957 . 6 1 1 A 84 84 ALA C C 84 175.290 177.998 -2.708 1 1 958 . 6 1 1 A 84 84 ALA CA C 84 51.922 51.792 0.130 1 1 959 . 6 1 1 A 84 84 ALA CB C 84 19.111 20.115 -1.004 1 1 960 . 6 1 1 A 84 84 ALA N N 84 120.651 124.893 -4.242 1 1 961 . 6 1 1 A 85 85 ASP H H 85 7.739 8.805 -1.066 1 1 962 . 6 1 1 A 85 85 ASP HA H 85 4.380 4.464 -0.084 1 1 965 . 6 1 1 A 85 85 ASP C C 85 175.591 176.278 -0.687 1 1 966 . 6 1 1 A 85 85 ASP CA C 85 55.136 55.599 -0.463 1 1 967 . 6 1 1 A 85 85 ASP CB C 85 43.011 41.236 1.775 1 1 968 . 6 1 1 A 85 85 ASP N N 85 114.721 120.376 -5.655 1 1 969 . 6 1 1 A 86 86 LEU H H 86 8.475 7.269 1.206 1 1 970 . 6 1 1 A 86 86 LEU HA H 86 3.956 4.331 -0.375 1 1 980 . 6 1 1 A 86 86 LEU CA C 86 54.656 53.232 1.424 1 1 981 . 6 1 1 A 86 86 LEU CB C 86 39.380 43.544 -4.164 1 1 985 . 6 1 1 A 87 87 PRO HA H 87 4.225 4.237 -0.012 1 1 992 . 6 1 1 A 87 87 PRO CA C 87 65.046 64.920 0.126 1 1 993 . 6 1 1 A 87 87 PRO CB C 87 32.264 31.264 1.000 1 1 996 . 6 1 1 A 88 88 PHE H H 88 5.565 8.108 -2.543 1 1 997 . 6 1 1 A 88 88 PHE HA H 88 4.340 4.887 -0.547 1 1 1000 . 6 1 1 A 88 88 PHE CA C 88 57.664 58.105 -0.441 1 1 1001 . 6 1 1 A 88 88 PHE CB C 88 39.344 38.382 0.962 1 1 1002 . 6 1 1 A 88 88 PHE N N 88 110.725 116.006 -5.281 1 1 1003 . 6 1 1 A 89 89 ALA H H 89 7.381 7.901 -0.520 1 1 1004 . 6 1 1 A 89 89 ALA HA H 89 4.239 4.594 -0.355 1 1 1008 . 6 1 1 A 89 89 ALA CA C 89 52.009 51.182 0.827 1 1 1009 . 6 1 1 A 89 89 ALA CB C 89 19.761 21.171 -1.410 1 1 1010 . 6 1 1 A 89 89 ALA N N 89 114.850 120.718 -5.868 1 1 1011 . 6 1 1 A 90 90 GLN H H 90 7.231 7.244 -0.013 1 1 1012 . 6 1 1 A 90 90 GLN HA H 90 3.695 4.295 -0.600 1 1 1018 . 6 1 1 A 90 90 GLN CA C 90 59.578 53.819 5.759 1 1 1019 . 6 1 1 A 90 90 GLN CB C 90 28.728 26.452 2.276 1 1 1022 . 6 1 1 A 91 91 ALA H H 91 7.741 8.132 -0.391 1 1 1023 . 6 1 1 A 91 91 ALA HA H 91 4.202 3.901 0.301 1 1 1027 . 6 1 1 A 91 91 ALA CA C 91 54.382 53.976 0.406 1 1 1028 . 6 1 1 A 91 91 ALA CB C 91 18.837 18.444 0.393 1 1 1029 . 6 1 1 A 91 91 ALA N N 91 118.589 127.429 -8.840 1 1 1030 . 6 1 1 A 92 92 ARG H H 92 7.354 7.865 -0.511 1 1 1031 . 6 1 1 A 92 92 ARG HA H 92 4.588 3.975 0.613 1 1 1038 . 6 1 1 A 92 92 ARG CA C 92 55.476 58.229 -2.753 1 1 1039 . 6 1 1 A 92 92 ARG CB C 92 30.048 29.521 0.527 1 1 1042 . 6 1 1 A 93 93 TRP H H 93 7.767 7.301 0.466 1 1 1043 . 6 1 1 A 93 93 TRP HA H 93 4.881 4.342 0.539 1 1 1050 . 6 1 1 A 93 93 TRP CA C 93 57.534 59.664 -2.130 1 1 1051 . 6 1 1 A 93 93 TRP CB C 93 29.501 29.484 0.017 1 1 1052 . 6 1 1 A 93 93 TRP N N 93 121.927 119.078 2.849 1 1 1054 . 6 1 1 A 94 94 CYS HA H 94 3.901 4.898 -0.997 1 1 1057 . 6 1 1 A 94 94 CYS CA C 94 59.577 57.424 2.153 1 1 1058 . 6 1 1 A 94 94 CYS CB C 94 43.446 44.105 -0.659 1 1 1059 . 6 1 1 A 95 95 GLY HA2 H 95 5.122 3.956 1.166 1 1 1060 . 6 1 1 A 95 95 GLY HA3 H 95 3.691 3.968 -0.277 1 1 1061 . 6 1 1 A 95 95 GLY CA C 95 45.511 47.151 -1.640 1 1 1062 . 6 1 1 A 96 96 ALA H H 96 7.504 8.081 -0.577 1 1 1063 . 6 1 1 A 96 96 ALA HA H 96 4.412 4.481 -0.069 1 1 1067 . 6 1 1 A 96 96 ALA CA C 96 51.699 51.041 0.658 1 1 1068 . 6 1 1 A 96 96 ALA CB C 96 21.025 20.311 0.714 1 1 1069 . 6 1 1 A 96 96 ALA N N 96 121.579 118.778 2.801 1 1 1070 . 6 1 1 A 97 97 ASN H H 97 7.345 7.739 -0.394 1 1 1071 . 6 1 1 A 97 97 ASN HA H 97 4.551 4.509 0.042 1 1 1076 . 6 1 1 A 97 97 ASN CA C 97 54.929 54.485 0.444 1 1 1077 . 6 1 1 A 97 97 ASN CB C 97 39.071 38.842 0.229 1 1 1079 . 6 1 1 A 98 98 GLY H H 98 8.890 8.872 0.018 1 1 1080 . 6 1 1 A 98 98 GLY HA2 H 98 3.796 3.974 -0.178 1 1 1081 . 6 1 1 A 98 98 GLY HA3 H 98 4.070 3.976 0.094 1 1 1082 . 6 1 1 A 98 98 GLY C C 98 174.160 174.133 0.027 1 1 1083 . 6 1 1 A 98 98 GLY CA C 98 45.841 45.598 0.243 1 1 1084 . 6 1 1 A 99 99 ILE H H 99 7.739 8.083 -0.344 1 1 1085 . 6 1 1 A 99 99 ILE HA H 99 4.198 4.059 0.139 1 1 1095 . 6 1 1 A 99 99 ILE C C 99 175.561 175.872 -0.311 1 1 1096 . 6 1 1 A 99 99 ILE CA C 99 60.671 60.573 0.098 1 1 1097 . 6 1 1 A 99 99 ILE CB C 99 38.524 37.064 1.460 1 1 1101 . 6 1 1 A 99 99 ILE N N 99 120.780 118.716 2.064 1 1 1102 . 6 1 1 A 100 100 ASP H H 100 8.372 8.295 0.077 1 1 1103 . 6 1 1 A 100 100 ASP HA H 100 4.426 4.211 0.215 1 1 1106 . 6 1 1 A 100 100 ASP C C 100 176.325 177.968 -1.643 1 1 1107 . 6 1 1 A 100 100 ASP CA C 100 56.023 56.904 -0.881 1 1 1108 . 6 1 1 A 100 100 ASP CB C 100 40.985 41.219 -0.234 1 1 1109 . 6 1 1 A 100 100 ASP N N 100 126.194 124.674 1.520 1 1 1110 . 6 1 1 A 101 101 LYS H H 101 8.081 7.796 0.285 1 1 1111 . 6 1 1 A 101 101 LYS HA H 101 4.052 4.210 -0.158 1 1 1120 . 6 1 1 A 101 101 LYS C C 101 175.874 177.698 -1.824 1 1 1121 . 6 1 1 A 101 101 LYS CA C 101 58.210 58.965 -0.755 1 1 1122 . 6 1 1 A 101 101 LYS CB C 101 31.689 32.431 -0.742 1 1 1126 . 6 1 1 A 101 101 LYS N N 101 115.366 117.097 -1.731 1 1 1127 . 6 1 1 A 102 102 VAL H H 102 7.631 7.786 -0.155 1 1 1128 . 6 1 1 A 102 102 VAL HA H 102 4.419 3.993 0.426 1 1 1136 . 6 1 1 A 102 102 VAL C C 102 175.145 175.153 -0.008 1 1 1137 . 6 1 1 A 102 102 VAL CA C 102 61.919 63.362 -1.443 1 1 1138 . 6 1 1 A 102 102 VAL CB C 102 32.782 31.828 0.954 1 1 1141 . 6 1 1 A 102 102 VAL N N 102 119.362 119.690 -0.328 1 1 1142 . 6 1 1 A 103 103 GLU H H 103 8.489 8.653 -0.164 1 1 1143 . 6 1 1 A 103 103 GLU HA H 103 4.931 4.957 -0.026 1 1 1148 . 6 1 1 A 103 103 GLU C C 103 175.943 174.888 1.055 1 1 1149 . 6 1 1 A 103 103 GLU CA C 103 55.140 54.438 0.702 1 1 1150 . 6 1 1 A 103 103 GLU CB C 103 33.329 33.358 -0.029 1 1 1152 . 6 1 1 A 103 103 GLU N N 103 126.581 126.886 -0.305 1 1 1153 . 6 1 1 A 104 104 THR H H 104 8.690 8.594 0.096 1 1 1154 . 6 1 1 A 104 104 THR HA H 104 5.292 5.068 0.224 1 1 1159 . 6 1 1 A 104 104 THR C C 104 173.165 173.750 -0.585 1 1 1160 . 6 1 1 A 104 104 THR CA C 104 58.757 62.480 -3.723 1 1 1161 . 6 1 1 A 104 104 THR CB C 104 69.967 70.226 -0.259 1 1 1163 . 6 1 1 A 104 104 THR N N 104 114.979 123.357 -8.378 1 1 1164 . 6 1 1 A 105 105 LEU H H 105 8.635 9.102 -0.467 1 1 1165 . 6 1 1 A 105 105 LEU HA H 105 4.979 5.017 -0.038 1 1 1175 . 6 1 1 A 105 105 LEU C C 105 176.985 175.698 1.287 1 1 1176 . 6 1 1 A 105 105 LEU CA C 105 52.849 53.412 -0.563 1 1 1177 . 6 1 1 A 105 105 LEU CB C 105 45.633 46.486 -0.853 1 1 1181 . 6 1 1 A 105 105 LEU N N 105 119.233 126.370 -7.137 1 1 1182 . 6 1 1 A 106 106 SER H H 106 9.670 8.899 0.771 1 1 1183 . 6 1 1 A 106 106 SER HA H 106 5.485 5.402 0.083 1 1 1186 . 6 1 1 A 106 106 SER C C 106 176.256 173.513 2.743 1 1 1187 . 6 1 1 A 106 106 SER CA C 106 56.570 57.572 -1.002 1 1 1188 . 6 1 1 A 106 106 SER CB C 106 65.593 66.831 -1.238 1 1 1189 . 6 1 1 A 106 106 SER N N 106 114.979 116.731 -1.752 1 1 1190 . 6 1 1 A 107 107 ASP H H 107 8.764 8.517 0.247 1 1 1191 . 6 1 1 A 107 107 ASP HA H 107 5.517 4.797 0.720 1 1 1194 . 6 1 1 A 107 107 ASP CA C 107 52.753 54.861 -2.108 1 1 1195 . 6 1 1 A 107 107 ASP CB C 107 45.086 44.195 0.891 1 1 1196 . 6 1 1 A 107 107 ASP N N 107 132.898 122.432 10.466 1 1 1197 . 6 1 1 A 108 108 HIS H H 108 7.940 7.930 0.010 1 1 1198 . 6 1 1 A 108 108 HIS HA H 108 4.075 3.968 0.107 1 1 1200 . 6 1 1 A 108 108 HIS CA C 108 59.577 60.115 -0.538 1 1 1201 . 6 1 1 A 108 108 HIS CB C 108 29.861 30.217 -0.356 1 1 1202 . 6 1 1 A 108 108 HIS N N 108 116.397 119.711 -3.314 1 1 1203 . 6 1 1 A 109 109 ARG HA H 109 4.214 3.843 0.371 1 1 1206 . 6 1 1 A 109 109 ARG CA C 109 59.031 58.763 0.268 1 1 1207 . 6 1 1 A 109 109 ARG CB C 109 27.861 29.776 -1.915 1 1 1208 . 6 1 1 A 110 110 ASP HA H 110 4.867 4.793 0.074 1 1 1211 . 6 1 1 A 110 110 ASP C C 110 175.735 175.954 -0.219 1 1 1212 . 6 1 1 A 110 110 ASP CA C 110 53.708 54.025 -0.317 1 1 1213 . 6 1 1 A 110 110 ASP CB C 110 43.875 42.601 1.274 1 1 1214 . 6 1 1 A 111 111 MET H H 111 7.899 8.534 -0.635 1 1 1215 . 6 1 1 A 111 111 MET HA H 111 4.503 4.117 0.386 1 1 1221 . 6 1 1 A 111 111 MET C C 111 177.332 176.227 1.105 1 1 1222 . 6 1 1 A 111 111 MET CA C 111 56.570 56.572 -0.002 1 1 1223 . 6 1 1 A 111 111 MET CB C 111 30.868 32.161 -1.293 1 1 1226 . 6 1 1 A 111 111 MET N N 111 116.397 118.385 -1.988 1 1 1227 . 6 1 1 A 112 112 SER H H 112 7.931 8.035 -0.104 1 1 1228 . 6 1 1 A 112 112 SER HA H 112 4.248 3.922 0.326 1 1 1231 . 6 1 1 A 112 112 SER C C 112 179.173 175.770 3.403 1 1 1232 . 6 1 1 A 112 112 SER CA C 112 60.945 62.255 -1.310 1 1 1233 . 6 1 1 A 112 112 SER CB C 112 64.499 63.196 1.303 1 1 1234 . 6 1 1 A 112 112 SER N N 112 113.561 116.117 -2.556 1 1 1235 . 6 1 1 A 113 113 PHE H H 113 10.125 8.142 1.983 1 1 1236 . 6 1 1 A 113 113 PHE HA H 113 3.593 4.298 -0.705 1 1 1241 . 6 1 1 A 113 113 PHE C C 113 177.437 178.130 -0.693 1 1 1242 . 6 1 1 A 113 113 PHE CA C 113 62.312 61.548 0.764 1 1 1243 . 6 1 1 A 113 113 PHE CB C 113 37.704 38.969 -1.265 1 1 1244 . 6 1 1 A 113 113 PHE N N 113 125.550 122.656 2.894 1 1 1245 . 6 1 1 A 114 114 GLY H H 114 10.707 9.044 1.663 1 1 1246 . 6 1 1 A 114 114 GLY HA2 H 114 3.396 3.696 -0.300 1 1 1247 . 6 1 1 A 114 114 GLY HA3 H 114 3.218 3.792 -0.574 1 1 1248 . 6 1 1 A 114 114 GLY C C 114 175.735 175.681 0.054 1 1 1249 . 6 1 1 A 114 114 GLY CA C 114 48.641 47.359 1.282 1 1 1250 . 6 1 1 A 114 114 GLY N N 114 109.178 105.215 3.963 1 1 1251 . 6 1 1 A 115 115 GLU H H 115 8.251 8.167 0.084 1 1 1252 . 6 1 1 A 115 115 GLU HA H 115 4.431 4.139 0.292 1 1 1257 . 6 1 1 A 115 115 GLU C C 115 178.756 178.316 0.440 1 1 1258 . 6 1 1 A 115 115 GLU CA C 115 59.031 59.102 -0.071 1 1 1259 . 6 1 1 A 115 115 GLU CB C 115 29.775 29.410 0.365 1 1 1261 . 6 1 1 A 115 115 GLU N N 115 120.522 121.571 -1.049 1 1 1262 . 6 1 1 A 116 116 ALA H H 116 7.895 8.317 -0.422 1 1 1263 . 6 1 1 A 116 116 ALA HA H 116 4.111 3.934 0.177 1 1 1267 . 6 1 1 A 116 116 ALA C C 116 177.610 178.808 -1.198 1 1 1268 . 6 1 1 A 116 116 ALA CA C 116 55.476 54.639 0.837 1 1 1269 . 6 1 1 A 116 116 ALA CB C 116 18.838 18.093 0.745 1 1 1270 . 6 1 1 A 116 116 ALA N N 116 123.100 122.182 0.918 1 1 1271 . 6 1 1 A 117 117 PHE H H 117 8.161 7.660 0.501 1 1 1272 . 6 1 1 A 117 117 PHE HA H 117 4.262 4.425 -0.163 1 1 1277 . 6 1 1 A 117 117 PHE C C 117 175.353 175.570 -0.217 1 1 1278 . 6 1 1 A 117 117 PHE CA C 117 56.843 57.398 -0.555 1 1 1279 . 6 1 1 A 117 117 PHE CB C 117 38.251 38.904 -0.653 1 1 1280 . 6 1 1 A 117 117 PHE N N 117 113.432 112.816 0.616 1 1 1281 . 6 1 1 A 118 118 GLY H H 118 7.685 7.807 -0.122 1 1 1282 . 6 1 1 A 118 118 GLY HA2 H 118 3.544 4.003 -0.459 1 1 1283 . 6 1 1 A 118 118 GLY HA3 H 118 4.362 4.021 0.341 1 1 1284 . 6 1 1 A 118 118 GLY C C 118 174.901 175.418 -0.517 1 1 1285 . 6 1 1 A 118 118 GLY CA C 118 47.274 46.630 0.644 1 1 1286 . 6 1 1 A 118 118 GLY N N 118 112.143 108.198 3.945 1 1 1287 . 6 1 1 A 119 119 VAL H H 119 8.380 8.263 0.117 1 1 1288 . 6 1 1 A 119 119 VAL HA H 119 4.788 4.698 0.090 1 1 1296 . 6 1 1 A 119 119 VAL C C 119 174.901 175.721 -0.820 1 1 1297 . 6 1 1 A 119 119 VAL CA C 119 59.532 61.360 -1.828 1 1 1298 . 6 1 1 A 119 119 VAL CB C 119 32.509 32.775 -0.266 1 1 1301 . 6 1 1 A 119 119 VAL N N 119 102.475 116.864 -14.389 1 1 1302 . 6 1 1 A 120 120 TYR H H 120 6.841 7.721 -0.880 1 1 1303 . 6 1 1 A 120 120 TYR HA H 120 4.484 4.679 -0.195 1 1 1308 . 6 1 1 A 120 120 TYR C C 120 173.443 175.257 -1.814 1 1 1309 . 6 1 1 A 120 120 TYR CA C 120 54.929 57.103 -2.174 1 1 1310 . 6 1 1 A 120 120 TYR CB C 120 37.704 38.529 -0.825 1 1 1311 . 6 1 1 A 120 120 TYR N N 120 124.518 124.432 0.086 1 1 1312 . 6 1 1 A 121 121 ILE H H 121 9.244 9.021 0.223 1 1 1313 . 6 1 1 A 121 121 ILE HA H 121 4.419 4.018 0.401 1 1 1323 . 6 1 1 A 121 121 ILE C C 121 176.221 176.234 -0.013 1 1 1324 . 6 1 1 A 121 121 ILE CA C 121 62.014 62.482 -0.468 1 1 1325 . 6 1 1 A 121 121 ILE CB C 121 37.704 37.937 -0.233 1 1 1329 . 6 1 1 A 121 121 ILE N N 121 128.772 128.906 -0.134 1 1 1330 . 6 1 1 A 122 122 LYS H H 122 9.328 8.979 0.349 1 1 1331 . 6 1 1 A 122 122 LYS HA H 122 3.588 3.616 -0.028 1 1 1340 . 6 1 1 A 122 122 LYS C C 122 179.069 178.191 0.878 1 1 1341 . 6 1 1 A 122 122 LYS CA C 122 60.124 59.692 0.432 1 1 1342 . 6 1 1 A 122 122 LYS CB C 122 33.329 31.985 1.344 1 1 1346 . 6 1 1 A 122 122 LYS N N 122 134.955 128.456 6.499 1 1 1347 . 6 1 1 A 123 123 GLU H H 123 10.228 7.896 2.332 1 1 1348 . 6 1 1 A 123 123 GLU HA H 123 3.919 4.134 -0.215 1 1 1353 . 6 1 1 A 123 123 GLU C C 123 176.638 179.163 -2.525 1 1 1354 . 6 1 1 A 123 123 GLU CA C 123 61.218 58.690 2.528 1 1 1355 . 6 1 1 A 123 123 GLU CB C 123 29.228 30.069 -0.841 1 1 1357 . 6 1 1 A 123 123 GLU N N 123 115.624 119.135 -3.511 1 1 1358 . 6 1 1 A 124 124 LEU H H 124 6.480 7.922 -1.442 1 1 1359 . 6 1 1 A 124 124 LEU HA H 124 4.464 4.059 0.405 1 1 1369 . 6 1 1 A 124 124 LEU C C 124 175.403 176.421 -1.018 1 1 1370 . 6 1 1 A 124 124 LEU CA C 124 53.562 57.112 -3.550 1 1 1371 . 6 1 1 A 124 124 LEU CB C 124 44.813 42.179 2.634 1 1 1375 . 6 1 1 A 124 124 LEU N N 124 110.434 121.881 -11.447 1 1 1376 . 6 1 1 A 125 125 ARG H H 125 8.701 8.018 0.683 1 1 1377 . 6 1 1 A 125 125 ARG HA H 125 3.783 4.243 -0.460 1 1 1380 . 6 1 1 A 125 125 ARG C C 125 173.029 174.632 -1.603 1 1 1381 . 6 1 1 A 125 125 ARG CA C 125 57.664 57.180 0.484 1 1 1382 . 6 1 1 A 125 125 ARG CB C 125 30.965 28.980 1.985 1 1 1383 . 6 1 1 A 125 125 ARG N N 125 121.940 119.652 2.288 1 1 1384 . 6 1 1 A 126 126 LEU H H 126 6.671 7.439 -0.768 1 1 1385 . 6 1 1 A 126 126 LEU HA H 126 4.621 4.693 -0.072 1 1 1395 . 6 1 1 A 126 126 LEU C C 126 174.203 175.921 -1.718 1 1 1396 . 6 1 1 A 126 126 LEU CA C 126 51.922 53.190 -1.268 1 1 1397 . 6 1 1 A 126 126 LEU CB C 126 46.727 45.631 1.096 1 1 1401 . 6 1 1 A 126 126 LEU N N 126 111.885 118.750 -6.865 1 1 1402 . 6 1 1 A 127 127 LEU H H 127 8.447 8.579 -0.132 1 1 1403 . 6 1 1 A 127 127 LEU HA H 127 5.153 4.479 0.674 1 1 1413 . 6 1 1 A 127 127 LEU C C 127 175.145 177.487 -2.342 1 1 1414 . 6 1 1 A 127 127 LEU CA C 127 52.742 54.977 -2.235 1 1 1415 . 6 1 1 A 127 127 LEU CB C 127 43.172 42.112 1.060 1 1 1419 . 6 1 1 A 127 127 LEU N N 127 118.983 121.116 -2.133 1 1 1420 . 6 1 1 A 128 128 ALA H H 128 9.160 8.901 0.259 1 1 1421 . 6 1 1 A 128 128 ALA HA H 128 3.843 4.388 -0.545 1 1 1425 . 6 1 1 A 128 128 ALA C C 128 176.603 176.887 -0.284 1 1 1426 . 6 1 1 A 128 128 ALA CA C 128 52.469 52.082 0.387 1 1 1427 . 6 1 1 A 128 128 ALA CB C 128 18.291 19.214 -0.923 1 1 1428 . 6 1 1 A 128 128 ALA N N 128 121.682 126.911 -5.229 1 1 1429 . 6 1 1 A 129 129 ARG H H 129 6.254 8.632 -2.378 1 1 1430 . 6 1 1 A 129 129 ARG HA H 129 4.700 4.786 -0.086 1 1 1436 . 6 1 1 A 129 129 ARG C C 129 176.534 174.960 1.574 1 1 1437 . 6 1 1 A 129 129 ARG CA C 129 55.651 56.714 -1.063 1 1 1438 . 6 1 1 A 129 129 ARG CB C 129 29.775 30.540 -0.765 1 1 1441 . 6 1 1 A 129 129 ARG N N 129 120.393 122.860 -2.467 1 1 1442 . 6 1 1 A 130 130 SER H H 130 8.398 8.777 -0.379 1 1 1443 . 6 1 1 A 130 130 SER HA H 130 4.767 4.762 0.005 1 1 1446 . 6 1 1 A 130 130 SER C C 130 172.957 172.315 0.642 1 1 1447 . 6 1 1 A 130 130 SER CA C 130 57.658 57.284 0.374 1 1 1448 . 6 1 1 A 130 130 SER CB C 130 63.679 67.567 -3.888 1 1 1449 . 6 1 1 A 130 130 SER N N 130 120.264 122.245 -1.981 1 1 1450 . 6 1 1 A 131 131 VAL H H 131 7.838 7.945 -0.107 1 1 1451 . 6 1 1 A 131 131 VAL HA H 131 5.086 4.820 0.266 1 1 1459 . 6 1 1 A 131 131 VAL C C 131 172.853 172.687 0.166 1 1 1460 . 6 1 1 A 131 131 VAL CA C 131 60.746 59.801 0.945 1 1 1461 . 6 1 1 A 131 131 VAL CB C 131 36.610 35.357 1.253 1 1 1464 . 6 1 1 A 131 131 VAL N N 131 118.460 120.484 -2.024 1 1 1465 . 6 1 1 A 132 132 PHE H H 132 9.259 9.280 -0.021 1 1 1466 . 6 1 1 A 132 132 PHE HA H 132 5.583 5.483 0.100 1 1 1470 . 6 1 1 A 132 132 PHE C C 132 174.797 174.717 0.080 1 1 1471 . 6 1 1 A 132 132 PHE CA C 132 56.296 56.092 0.204 1 1 1472 . 6 1 1 A 132 132 PHE CB C 132 44.539 43.661 0.878 1 1 1473 . 6 1 1 A 132 132 PHE N N 132 121.682 124.471 -2.789 1 1 1474 . 6 1 1 A 133 133 VAL H H 133 8.907 8.695 0.212 1 1 1475 . 6 1 1 A 133 133 VAL HA H 133 5.331 5.107 0.224 1 1 1483 . 6 1 1 A 133 133 VAL C C 133 174.450 174.438 0.012 1 1 1484 . 6 1 1 A 133 133 VAL CA C 133 61.491 60.482 1.009 1 1 1485 . 6 1 1 A 133 133 VAL CB C 133 34.696 35.678 -0.982 1 1 1488 . 6 1 1 A 133 133 VAL N N 133 119.878 120.124 -0.246 1 1 1489 . 6 1 1 A 134 134 LEU H H 134 9.976 9.152 0.824 1 1 1490 . 6 1 1 A 134 134 LEU HA H 134 5.680 5.071 0.609 1 1 1500 . 6 1 1 A 134 134 LEU C C 134 176.777 175.539 1.238 1 1 1501 . 6 1 1 A 134 134 LEU CA C 134 52.195 54.179 -1.984 1 1 1502 . 6 1 1 A 134 134 LEU CB C 134 44.813 45.895 -1.082 1 1 1506 . 6 1 1 A 134 134 LEU N N 134 129.417 127.623 1.794 1 1 1507 . 6 1 1 A 135 135 ASP H H 135 9.051 9.218 -0.167 1 1 1508 . 6 1 1 A 135 135 ASP HA H 135 4.708 4.811 -0.103 1 1 1511 . 6 1 1 A 135 135 ASP C C 135 177.193 177.072 0.121 1 1 1512 . 6 1 1 A 135 135 ASP CA C 135 52.276 53.156 -0.880 1 1 1513 . 6 1 1 A 135 135 ASP CB C 135 40.711 41.599 -0.888 1 1 1514 . 6 1 1 A 135 135 ASP N N 135 119.362 124.735 -5.373 1 1 1515 . 6 1 1 A 136 136 GLU H H 136 9.970 8.817 1.153 1 1 1516 . 6 1 1 A 136 136 GLU HA H 136 3.953 4.032 -0.079 1 1 1521 . 6 1 1 A 136 136 GLU C C 136 177.055 177.734 -0.679 1 1 1522 . 6 1 1 A 136 136 GLU CA C 136 58.757 59.485 -0.728 1 1 1523 . 6 1 1 A 136 136 GLU CB C 136 28.681 29.283 -0.602 1 1 1525 . 6 1 1 A 136 136 GLU N N 136 116.011 118.557 -2.546 1 1 1526 . 6 1 1 A 137 137 ASN H H 137 8.514 8.108 0.406 1 1 1527 . 6 1 1 A 137 137 ASN HA H 137 5.026 4.737 0.289 1 1 1532 . 6 1 1 A 137 137 ASN C C 137 175.943 176.171 -0.228 1 1 1533 . 6 1 1 A 137 137 ASN CA C 137 52.753 51.896 0.857 1 1 1534 . 6 1 1 A 137 137 ASN CB C 137 40.164 37.896 2.268 1 1 1535 . 6 1 1 A 137 137 ASN N N 137 117.042 113.529 3.513 1 1 1537 . 6 1 1 A 138 138 GLY H H 138 8.430 8.274 0.156 1 1 1538 . 6 1 1 A 138 138 GLY HA2 H 138 3.690 3.976 -0.286 1 1 1539 . 6 1 1 A 138 138 GLY HA3 H 138 4.213 4.009 0.204 1 1 1540 . 6 1 1 A 138 138 GLY C C 138 172.436 174.282 -1.846 1 1 1541 . 6 1 1 A 138 138 GLY CA C 138 46.180 45.438 0.742 1 1 1542 . 6 1 1 A 138 138 GLY N N 138 109.565 109.078 0.487 1 1 1543 . 6 1 1 A 139 139 LYS H H 139 8.573 8.248 0.325 1 1 1544 . 6 1 1 A 139 139 LYS HA H 139 4.472 4.374 0.098 1 1 1553 . 6 1 1 A 139 139 LYS C C 139 176.742 175.855 0.887 1 1 1554 . 6 1 1 A 139 139 LYS CA C 139 56.195 55.944 0.251 1 1 1555 . 6 1 1 A 139 139 LYS CB C 139 32.782 32.688 0.094 1 1 1559 . 6 1 1 A 139 139 LYS N N 139 123.358 122.507 0.851 1 1 1560 . 6 1 1 A 140 140 VAL H H 140 9.102 8.592 0.510 1 1 1561 . 6 1 1 A 140 140 VAL HA H 140 4.293 4.483 -0.190 1 1 1569 . 6 1 1 A 140 140 VAL C C 140 177.124 175.951 1.173 1 1 1570 . 6 1 1 A 140 140 VAL CA C 140 63.952 62.171 1.781 1 1 1571 . 6 1 1 A 140 140 VAL CB C 140 31.142 32.465 -1.323 1 1 1574 . 6 1 1 A 140 140 VAL N N 140 125.292 123.961 1.331 1 1 1575 . 6 1 1 A 141 141 VAL H H 141 9.332 9.356 -0.024 1 1 1576 . 6 1 1 A 141 141 VAL HA H 141 4.670 4.349 0.321 1 1 1584 . 6 1 1 A 141 141 VAL C C 141 175.249 175.029 0.220 1 1 1585 . 6 1 1 A 141 141 VAL CA C 141 61.491 62.388 -0.897 1 1 1586 . 6 1 1 A 141 141 VAL CB C 141 32.509 33.614 -1.105 1 1 1589 . 6 1 1 A 141 141 VAL N N 141 124.261 124.840 -0.579 1 1 1590 . 6 1 1 A 142 142 TYR H H 142 7.959 7.406 0.553 1 1 1591 . 6 1 1 A 142 142 TYR HA H 142 4.389 4.805 -0.416 1 1 1596 . 6 1 1 A 142 142 TYR C C 142 172.262 173.490 -1.228 1 1 1597 . 6 1 1 A 142 142 TYR CA C 142 58.757 58.180 0.577 1 1 1598 . 6 1 1 A 142 142 TYR CB C 142 41.805 41.563 0.242 1 1 1599 . 6 1 1 A 142 142 TYR N N 142 122.198 120.917 1.281 1 1 1600 . 6 1 1 A 143 143 ALA H H 143 7.642 7.815 -0.173 1 1 1601 . 6 1 1 A 143 143 ALA HA H 143 4.883 4.836 0.047 1 1 1605 . 6 1 1 A 143 143 ALA C C 143 175.353 174.955 0.398 1 1 1606 . 6 1 1 A 143 143 ALA CA C 143 51.703 51.354 0.349 1 1 1607 . 6 1 1 A 143 143 ALA CB C 143 22.666 22.716 -0.050 1 1 1608 . 6 1 1 A 143 143 ALA N N 143 129.804 128.382 1.422 1 1 1609 . 6 1 1 A 144 144 GLU H H 144 8.292 8.122 0.170 1 1 1610 . 6 1 1 A 144 144 GLU HA H 144 4.297 4.754 -0.457 1 1 1615 . 6 1 1 A 144 144 GLU C C 144 173.860 174.004 -0.144 1 1 1616 . 6 1 1 A 144 144 GLU CA C 144 56.296 55.206 1.090 1 1 1617 . 6 1 1 A 144 144 GLU CB C 144 32.509 33.041 -0.532 1 1 1619 . 6 1 1 A 144 144 GLU N N 144 122.198 121.741 0.457 1 1 1620 . 6 1 1 A 145 145 TYR H H 145 9.006 9.215 -0.209 1 1 1621 . 6 1 1 A 145 145 TYR HA H 145 4.125 5.097 -0.972 1 1 1626 . 6 1 1 A 145 145 TYR C C 145 175.164 175.787 -0.623 1 1 1627 . 6 1 1 A 145 145 TYR CA C 145 57.117 56.728 0.389 1 1 1628 . 6 1 1 A 145 145 TYR CB C 145 38.251 40.141 -1.890 1 1 1629 . 6 1 1 A 145 145 TYR N N 145 128.128 125.322 2.806 1 1 1630 . 6 1 1 A 146 146 VAL H H 146 7.441 8.627 -1.186 1 1 1631 . 6 1 1 A 146 146 VAL HA H 146 3.672 4.188 -0.516 1 1 1639 . 6 1 1 A 146 146 VAL C C 146 176.777 176.989 -0.212 1 1 1640 . 6 1 1 A 146 146 VAL CA C 146 64.226 62.140 2.086 1 1 1641 . 6 1 1 A 146 146 VAL CB C 146 30.868 32.705 -1.837 1 1 1644 . 6 1 1 A 146 146 VAL N N 146 125.808 124.517 1.291 1 1 1645 . 6 1 1 A 147 147 SER H H 147 8.359 8.548 -0.189 1 1 1646 . 6 1 1 A 147 147 SER HA H 147 4.007 4.313 -0.306 1 1 1649 . 6 1 1 A 147 147 SER C C 147 172.123 174.478 -2.355 1 1 1650 . 6 1 1 A 147 147 SER CA C 147 63.132 61.043 2.089 1 1 1651 . 6 1 1 A 147 147 SER CB C 147 62.859 63.177 -0.318 1 1 1652 . 6 1 1 A 147 147 SER N N 147 121.425 119.009 2.416 1 1 1653 . 6 1 1 A 148 148 GLU H H 148 7.177 7.928 -0.751 1 1 1654 . 6 1 1 A 148 148 GLU HA H 148 5.055 5.036 0.019 1 1 1659 . 6 1 1 A 148 148 GLU C C 148 176.082 176.039 0.043 1 1 1660 . 6 1 1 A 148 148 GLU CA C 148 52.563 55.619 -3.056 1 1 1661 . 6 1 1 A 148 148 GLU CB C 148 29.774 32.416 -2.642 1 1 1663 . 6 1 1 A 148 148 GLU N N 148 119.620 120.522 -0.902 1 1 1664 . 6 1 1 A 149 149 ALA H H 149 9.142 9.496 -0.354 1 1 1665 . 6 1 1 A 149 149 ALA HA H 149 4.704 4.289 0.415 1 1 1669 . 6 1 1 A 149 149 ALA C C 149 177.437 177.448 -0.011 1 1 1670 . 6 1 1 A 149 149 ALA CA C 149 54.466 53.601 0.865 1 1 1671 . 6 1 1 A 149 149 ALA CB C 149 19.111 18.682 0.429 1 1 1672 . 6 1 1 A 149 149 ALA N N 149 127.741 129.418 -1.677 1 1 1673 . 6 1 1 A 150 150 THR H H 150 8.200 7.672 0.528 1 1 1674 . 6 1 1 A 150 150 THR HA H 150 4.393 4.667 -0.274 1 1 1679 . 6 1 1 A 150 150 THR C C 150 174.554 173.534 1.020 1 1 1680 . 6 1 1 A 150 150 THR CA C 150 62.312 60.631 1.681 1 1 1681 . 6 1 1 A 150 150 THR CB C 150 69.694 68.753 0.941 1 1 1683 . 6 1 1 A 150 150 THR N N 150 104.453 105.636 -1.183 1 1 1684 . 6 1 1 A 151 151 ASN H H 151 7.984 7.334 0.650 1 1 1685 . 6 1 1 A 151 151 ASN HA H 151 4.947 5.238 -0.291 1 1 1690 . 6 1 1 A 151 151 ASN C C 151 174.554 173.430 1.124 1 1 1691 . 6 1 1 A 151 151 ASN CA C 151 51.135 52.075 -0.940 1 1 1692 . 6 1 1 A 151 151 ASN CB C 151 39.344 42.420 -3.076 1 1 1693 . 6 1 1 A 151 151 ASN N N 151 123.487 119.919 3.568 1 1 1695 . 6 1 1 A 152 152 HIS H H 152 8.160 8.809 -0.649 1 1 1696 . 6 1 1 A 152 152 HIS HA H 152 4.731 4.857 -0.126 1 1 1700 . 6 1 1 A 152 152 HIS C C 152 174.381 173.126 1.255 1 1 1701 . 6 1 1 A 152 152 HIS CA C 152 54.854 53.952 0.902 1 1 1702 . 6 1 1 A 152 152 HIS CB C 152 31.415 31.809 -0.394 1 1 1703 . 6 1 1 A 152 152 HIS N N 152 116.139 118.494 -2.355 1 1 1704 . 6 1 1 A 153 153 PRO HA H 153 4.335 4.412 -0.077 1 1 1709 . 6 1 1 A 153 153 PRO C C 153 173.894 175.971 -2.077 1 1 1710 . 6 1 1 A 153 153 PRO CA C 153 61.491 62.068 -0.577 1 1 1711 . 6 1 1 A 153 153 PRO CB C 153 32.782 32.427 0.355 1 1 1714 . 6 1 1 A 154 154 ASN H H 154 9.511 8.671 0.840 1 1 1715 . 6 1 1 A 154 154 ASN HA H 154 4.306 4.710 -0.404 1 1 1720 . 6 1 1 A 154 154 ASN C C 154 176.568 175.250 1.318 1 1 1721 . 6 1 1 A 154 154 ASN CA C 154 54.656 53.014 1.642 1 1 1722 . 6 1 1 A 154 154 ASN CB C 154 39.071 40.068 -0.997 1 1 1723 . 6 1 1 A 154 154 ASN N N 154 118.718 119.518 -0.800 1 1 1725 . 6 1 1 A 155 155 TYR H H 155 8.691 9.183 -0.492 1 1 1726 . 6 1 1 A 155 155 TYR HA H 155 4.364 4.770 -0.406 1 1 1731 . 6 1 1 A 155 155 TYR C C 155 176.256 176.242 0.014 1 1 1732 . 6 1 1 A 155 155 TYR CA C 155 59.304 58.475 0.829 1 1 1733 . 6 1 1 A 155 155 TYR CB C 155 39.344 39.784 -0.440 1 1 1734 . 6 1 1 A 155 155 TYR N N 155 125.421 123.794 1.627 1 1 1735 . 6 1 1 A 156 156 GLU H H 156 8.200 8.237 -0.037 1 1 1736 . 6 1 1 A 156 156 GLU HA H 156 4.415 4.510 -0.095 1 1 1741 . 6 1 1 A 156 156 GLU C C 156 178.583 177.724 0.859 1 1 1742 . 6 1 1 A 156 156 GLU CA C 156 58.757 57.527 1.230 1 1 1743 . 6 1 1 A 156 156 GLU CB C 156 30.868 31.667 -0.799 1 1 1745 . 6 1 1 A 156 156 GLU N N 156 119.878 118.117 1.761 1 1 1746 . 6 1 1 A 157 157 LYS H H 157 8.718 8.396 0.322 1 1 1747 . 6 1 1 A 157 157 LYS HA H 157 4.095 4.021 0.074 1 1 1756 . 6 1 1 A 157 157 LYS C C 157 176.152 175.457 0.695 1 1 1757 . 6 1 1 A 157 157 LYS CA C 157 60.398 61.226 -0.828 1 1 1758 . 6 1 1 A 157 157 LYS CB C 157 30.595 30.716 -0.121 1 1 1762 . 6 1 1 A 157 157 LYS N N 157 121.167 119.982 1.185 1 1 1763 . 6 1 1 A 158 158 PRO HA H 158 3.116 3.873 -0.757 1 1 1770 . 6 1 1 A 158 158 PRO C C 158 177.853 179.359 -1.506 1 1 1771 . 6 1 1 A 158 158 PRO CA C 158 65.319 64.787 0.532 1 1 1772 . 6 1 1 A 158 158 PRO CB C 158 30.595 30.381 0.214 1 1 1775 . 6 1 1 A 159 159 ILE H H 159 6.215 7.423 -1.208 1 1 1776 . 6 1 1 A 159 159 ILE HA H 159 3.594 3.889 -0.295 1 1 1786 . 6 1 1 A 159 159 ILE C C 159 177.610 177.514 0.096 1 1 1787 . 6 1 1 A 159 159 ILE CA C 159 62.312 64.365 -2.053 1 1 1788 . 6 1 1 A 159 159 ILE CB C 159 35.516 37.900 -2.384 1 1 1792 . 6 1 1 A 159 159 ILE N N 159 113.948 116.729 -2.781 1 1 1793 . 6 1 1 A 160 160 GLU H H 160 7.572 8.777 -1.205 1 1 1794 . 6 1 1 A 160 160 GLU HA H 160 3.876 4.010 -0.134 1 1 1799 . 6 1 1 A 160 160 GLU C C 160 179.277 179.458 -0.181 1 1 1800 . 6 1 1 A 160 160 GLU CA C 160 59.304 59.301 0.003 1 1 1801 . 6 1 1 A 160 160 GLU CB C 160 29.774 29.393 0.381 1 1 1803 . 6 1 1 A 160 160 GLU N N 160 119.104 120.210 -1.106 1 1 1804 . 6 1 1 A 161 161 ALA H H 161 7.902 8.212 -0.310 1 1 1805 . 6 1 1 A 161 161 ALA HA H 161 4.137 4.202 -0.065 1 1 1809 . 6 1 1 A 161 161 ALA C C 161 179.485 180.111 -0.626 1 1 1810 . 6 1 1 A 161 161 ALA CA C 161 54.656 55.107 -0.451 1 1 1811 . 6 1 1 A 161 161 ALA CB C 161 18.017 18.007 0.010 1 1 1812 . 6 1 1 A 161 161 ALA N N 161 120.393 123.791 -3.398 1 1 1813 . 6 1 1 A 162 162 ALA H H 162 7.734 7.997 -0.263 1 1 1814 . 6 1 1 A 162 162 ALA HA H 162 3.950 4.108 -0.158 1 1 1818 . 6 1 1 A 162 162 ALA C C 162 179.485 179.692 -0.207 1 1 1819 . 6 1 1 A 162 162 ALA CA C 162 54.656 55.186 -0.530 1 1 1820 . 6 1 1 A 162 162 ALA CB C 162 19.111 18.061 1.050 1 1 1821 . 6 1 1 A 162 162 ALA N N 162 118.202 121.084 -2.882 1 1 1822 . 6 1 1 A 163 163 LYS H H 163 8.760 8.515 0.245 1 1 1823 . 6 1 1 A 163 163 LYS HA H 163 3.842 4.024 -0.182 1 1 1832 . 6 1 1 A 163 163 LYS C C 163 178.201 179.414 -1.213 1 1 1833 . 6 1 1 A 163 163 LYS CA C 163 59.578 59.350 0.228 1 1 1834 . 6 1 1 A 163 163 LYS CB C 163 32.782 32.066 0.716 1 1 1838 . 6 1 1 A 163 163 LYS N N 163 118.202 116.969 1.233 1 1 1839 . 6 1 1 A 164 164 ALA H H 164 7.216 8.394 -1.178 1 1 1840 . 6 1 1 A 164 164 ALA HA H 164 4.215 4.096 0.119 1 1 1844 . 6 1 1 A 164 164 ALA C C 164 178.339 180.106 -1.767 1 1 1845 . 6 1 1 A 164 164 ALA CA C 164 53.836 54.879 -1.043 1 1 1846 . 6 1 1 A 164 164 ALA CB C 164 18.291 18.387 -0.096 1 1 1847 . 6 1 1 A 164 164 ALA N N 164 117.557 121.709 -4.152 1 1 1848 . 6 1 1 A 165 165 LEU H H 165 7.503 7.856 -0.353 1 1 1849 . 6 1 1 A 165 165 LEU HA H 165 4.432 4.132 0.300 1 1 1859 . 6 1 1 A 165 165 LEU C C 165 177.714 178.971 -1.257 1 1 1860 . 6 1 1 A 165 165 LEU CA C 165 54.929 57.826 -2.897 1 1 1861 . 6 1 1 A 165 165 LEU CB C 165 44.256 42.124 2.132 1 1 1865 . 6 1 1 A 165 165 LEU N N 165 115.753 120.270 -4.517 1 1 1866 . 6 1 1 A 166 166 VAL H H 166 7.337 8.232 -0.895 1 1 1867 . 6 1 1 A 166 166 VAL HA H 166 4.103 3.551 0.552 1 1 1875 . 6 1 1 A 166 166 VAL C C 166 175.040 176.109 -1.069 1 1 1876 . 6 1 1 A 166 166 VAL CA C 166 62.859 67.000 -4.141 1 1 1877 . 6 1 1 A 166 166 VAL CB C 166 32.509 31.527 0.982 1 1 1880 . 6 1 1 A 166 166 VAL N N 166 118.589 118.040 0.549 1 1 1 . 7 1 1 A 2 2 ALA HA H 2 3.876 4.317 -0.441 1 1 5 . 7 1 1 A 2 2 ALA C C 2 172.590 177.059 -4.469 1 1 6 . 7 1 1 A 2 2 ALA CA C 2 51.922 52.093 -0.171 1 1 7 . 7 1 1 A 2 2 ALA CB C 2 18.924 19.070 -0.146 1 1 8 . 7 1 1 A 3 3 GLU H H 3 8.262 8.631 -0.369 1 1 9 . 7 1 1 A 3 3 GLU HA H 3 4.641 4.850 -0.209 1 1 14 . 7 1 1 A 3 3 GLU C C 3 175.157 174.683 0.474 1 1 15 . 7 1 1 A 3 3 GLU CA C 3 55.476 55.467 0.009 1 1 16 . 7 1 1 A 3 3 GLU CB C 3 31.142 33.830 -2.688 1 1 18 . 7 1 1 A 3 3 GLU N N 3 121.167 121.730 -0.563 1 1 19 . 7 1 1 A 4 4 ILE H H 4 9.053 8.715 0.338 1 1 20 . 7 1 1 A 4 4 ILE HA H 4 5.361 5.025 0.336 1 1 30 . 7 1 1 A 4 4 ILE C C 4 175.817 174.565 1.252 1 1 31 . 7 1 1 A 4 4 ILE CA C 4 59.304 58.935 0.369 1 1 32 . 7 1 1 A 4 4 ILE CB C 4 42.079 42.720 -0.641 1 1 36 . 7 1 1 A 4 4 ILE N N 4 124.776 120.083 4.693 1 1 37 . 7 1 1 A 5 5 THR H H 5 8.977 8.453 0.524 1 1 38 . 7 1 1 A 5 5 THR HA H 5 5.141 5.265 -0.124 1 1 43 . 7 1 1 A 5 5 THR C C 5 173.483 173.307 0.176 1 1 44 . 7 1 1 A 5 5 THR CA C 5 59.304 60.599 -1.295 1 1 45 . 7 1 1 A 5 5 THR CB C 5 73.249 72.070 1.179 1 1 47 . 7 1 1 A 5 5 THR N N 5 112.659 115.620 -2.961 1 1 48 . 7 1 1 A 6 6 PHE H H 6 9.173 9.486 -0.313 1 1 49 . 7 1 1 A 6 6 PHE HA H 6 4.866 5.167 -0.301 1 1 53 . 7 1 1 A 6 6 PHE C C 6 175.591 174.847 0.744 1 1 54 . 7 1 1 A 6 6 PHE CA C 6 58.054 57.257 0.797 1 1 55 . 7 1 1 A 6 6 PHE CB C 6 42.625 42.154 0.471 1 1 56 . 7 1 1 A 6 6 PHE N N 6 119.362 124.666 -5.304 1 1 57 . 7 1 1 A 7 7 LYS H H 7 11.130 9.196 1.934 1 1 58 . 7 1 1 A 7 7 LYS HA H 7 3.567 3.812 -0.245 1 1 67 . 7 1 1 A 7 7 LYS C C 7 177.661 175.524 2.137 1 1 68 . 7 1 1 A 7 7 LYS CA C 7 57.390 57.133 0.257 1 1 69 . 7 1 1 A 7 7 LYS CB C 7 29.222 31.372 -2.150 1 1 73 . 7 1 1 A 7 7 LYS N N 7 134.058 127.034 7.024 1 1 74 . 7 1 1 A 8 8 GLY H H 8 8.965 8.595 0.370 1 1 75 . 7 1 1 A 8 8 GLY HA2 H 8 4.244 3.876 0.368 1 1 76 . 7 1 1 A 8 8 GLY HA3 H 8 3.528 3.880 -0.352 1 1 77 . 7 1 1 A 8 8 GLY C C 8 173.822 173.887 -0.065 1 1 78 . 7 1 1 A 8 8 GLY CA C 8 45.360 45.075 0.285 1 1 79 . 7 1 1 A 8 8 GLY N N 8 104.280 105.420 -1.140 1 1 80 . 7 1 1 A 9 9 GLY H H 9 7.942 8.162 -0.220 1 1 81 . 7 1 1 A 9 9 GLY HA2 H 9 4.815 4.177 0.638 1 1 82 . 7 1 1 A 9 9 GLY HA3 H 9 3.715 4.207 -0.492 1 1 83 . 7 1 1 A 9 9 GLY C C 9 171.262 173.233 -1.971 1 1 84 . 7 1 1 A 9 9 GLY CA C 9 43.172 44.799 -1.627 1 1 85 . 7 1 1 A 9 9 GLY N N 9 109.823 108.087 1.736 1 1 86 . 7 1 1 A 10 10 PRO HA H 10 4.640 4.741 -0.101 1 1 93 . 7 1 1 A 10 10 PRO C C 10 177.097 176.383 0.714 1 1 94 . 7 1 1 A 10 10 PRO CA C 10 63.952 63.195 0.757 1 1 95 . 7 1 1 A 10 10 PRO CB C 10 32.509 32.373 0.136 1 1 98 . 7 1 1 A 11 11 VAL H H 11 7.770 8.688 -0.918 1 1 99 . 7 1 1 A 11 11 VAL HA H 11 4.632 4.932 -0.300 1 1 107 . 7 1 1 A 11 11 VAL C C 11 174.462 174.349 0.113 1 1 108 . 7 1 1 A 11 11 VAL CA C 11 59.304 59.529 -0.225 1 1 109 . 7 1 1 A 11 11 VAL CB C 11 35.516 36.316 -0.800 1 1 112 . 7 1 1 A 11 11 VAL N N 11 115.495 116.888 -1.393 1 1 113 . 7 1 1 A 12 12 THR H H 12 10.773 8.665 2.108 1 1 114 . 7 1 1 A 12 12 THR HA H 12 4.425 5.000 -0.575 1 1 119 . 7 1 1 A 12 12 THR C C 12 173.505 173.423 0.082 1 1 120 . 7 1 1 A 12 12 THR CA C 12 62.312 60.859 1.453 1 1 121 . 7 1 1 A 12 12 THR CB C 12 69.694 72.111 -2.417 1 1 123 . 7 1 1 A 12 12 THR N N 12 121.940 117.499 4.441 1 1 124 . 7 1 1 A 13 13 LEU H H 13 8.524 8.687 -0.163 1 1 125 . 7 1 1 A 13 13 LEU HA H 13 5.132 4.993 0.139 1 1 135 . 7 1 1 A 13 13 LEU C C 13 177.285 176.552 0.733 1 1 136 . 7 1 1 A 13 13 LEU CA C 13 53.289 53.212 0.077 1 1 137 . 7 1 1 A 13 13 LEU CB C 13 42.352 44.112 -1.760 1 1 141 . 7 1 1 A 13 13 LEU N N 13 125.550 123.623 1.927 1 1 142 . 7 1 1 A 14 14 VAL H H 14 8.962 8.843 0.119 1 1 143 . 7 1 1 A 14 14 VAL HA H 14 3.859 3.513 0.346 1 1 151 . 7 1 1 A 14 14 VAL C C 14 174.604 177.896 -3.292 1 1 152 . 7 1 1 A 14 14 VAL CA C 14 62.312 66.204 -3.892 1 1 153 . 7 1 1 A 14 14 VAL CB C 14 32.509 31.703 0.806 1 1 156 . 7 1 1 A 14 14 VAL N N 14 126.968 122.115 4.853 1 1 157 . 7 1 1 A 15 15 GLY H H 15 7.838 7.951 -0.113 1 1 158 . 7 1 1 A 15 15 GLY HA2 H 15 5.132 3.908 1.224 1 1 159 . 7 1 1 A 15 15 GLY HA3 H 15 3.730 3.925 -0.195 1 1 160 . 7 1 1 A 15 15 GLY C C 15 174.542 174.407 0.135 1 1 161 . 7 1 1 A 15 15 GLY CA C 15 43.446 45.059 -1.613 1 1 162 . 7 1 1 A 15 15 GLY N N 15 110.596 108.004 2.592 1 1 163 . 7 1 1 A 16 16 GLN H H 16 8.247 7.764 0.483 1 1 164 . 7 1 1 A 16 16 GLN HA H 16 4.347 4.042 0.305 1 1 171 . 7 1 1 A 16 16 GLN C C 16 174.876 175.034 -0.158 1 1 172 . 7 1 1 A 16 16 GLN CA C 16 54.656 57.956 -3.300 1 1 173 . 7 1 1 A 16 16 GLN CB C 16 30.321 27.358 2.963 1 1 175 . 7 1 1 A 16 16 GLN N N 16 120.522 116.151 4.371 1 1 177 . 7 1 1 A 17 17 GLU H H 17 8.149 8.287 -0.138 1 1 178 . 7 1 1 A 17 17 GLU HA H 17 3.938 3.919 0.019 1 1 183 . 7 1 1 A 17 17 GLU C C 17 176.607 176.089 0.518 1 1 184 . 7 1 1 A 17 17 GLU CA C 17 57.117 56.519 0.598 1 1 185 . 7 1 1 A 17 17 GLU CB C 17 30.321 30.042 0.279 1 1 187 . 7 1 1 A 17 17 GLU N N 17 123.616 121.879 1.737 1 1 188 . 7 1 1 A 18 18 VAL H H 18 8.605 8.673 -0.068 1 1 189 . 7 1 1 A 18 18 VAL HA H 18 4.047 4.218 -0.171 1 1 197 . 7 1 1 A 18 18 VAL C C 18 174.386 175.811 -1.425 1 1 198 . 7 1 1 A 18 18 VAL CA C 18 61.765 62.805 -1.040 1 1 199 . 7 1 1 A 18 18 VAL CB C 18 32.782 32.220 0.562 1 1 202 . 7 1 1 A 18 18 VAL N N 18 125.936 127.630 -1.694 1 1 203 . 7 1 1 A 19 19 LYS H H 19 8.461 8.978 -0.517 1 1 204 . 7 1 1 A 19 19 LYS HA H 19 4.624 4.996 -0.372 1 1 213 . 7 1 1 A 19 19 LYS C C 19 176.457 175.389 1.068 1 1 214 . 7 1 1 A 19 19 LYS CA C 19 53.562 54.093 -0.531 1 1 215 . 7 1 1 A 19 19 LYS CB C 19 34.423 36.119 -1.696 1 1 219 . 7 1 1 A 19 19 LYS N N 19 123.874 122.066 1.808 1 1 220 . 7 1 1 A 20 20 VAL H H 20 8.349 8.595 -0.246 1 1 221 . 7 1 1 A 20 20 VAL HA H 20 3.421 3.567 -0.146 1 1 229 . 7 1 1 A 20 20 VAL C C 20 177.624 177.136 0.488 1 1 230 . 7 1 1 A 20 20 VAL CA C 20 65.593 66.083 -0.490 1 1 231 . 7 1 1 A 20 20 VAL CB C 20 31.415 31.474 -0.059 1 1 234 . 7 1 1 A 20 20 VAL N N 20 120.393 121.039 -0.646 1 1 235 . 7 1 1 A 21 21 GLY H H 21 9.338 9.470 -0.132 1 1 236 . 7 1 1 A 21 21 GLY HA2 H 21 4.566 4.055 0.511 1 1 237 . 7 1 1 A 21 21 GLY HA3 H 21 3.536 4.067 -0.531 1 1 238 . 7 1 1 A 21 21 GLY C C 21 174.160 174.519 -0.359 1 1 239 . 7 1 1 A 21 21 GLY CA C 21 44.539 45.409 -0.870 1 1 240 . 7 1 1 A 21 21 GLY N N 21 117.429 114.905 2.524 1 1 241 . 7 1 1 A 22 22 ASP H H 22 8.222 7.985 0.237 1 1 242 . 7 1 1 A 22 22 ASP HA H 22 4.650 4.612 0.038 1 1 245 . 7 1 1 A 22 22 ASP C C 22 176.231 176.022 0.209 1 1 246 . 7 1 1 A 22 22 ASP CA C 22 54.382 54.704 -0.322 1 1 247 . 7 1 1 A 22 22 ASP CB C 22 40.985 41.409 -0.424 1 1 248 . 7 1 1 A 22 22 ASP N N 22 121.811 121.493 0.318 1 1 249 . 7 1 1 A 23 23 GLN H H 23 8.598 8.038 0.560 1 1 250 . 7 1 1 A 23 23 GLN HA H 23 4.224 4.152 0.072 1 1 257 . 7 1 1 A 23 23 GLN C C 23 175.892 174.678 1.214 1 1 258 . 7 1 1 A 23 23 GLN CA C 23 55.203 56.725 -1.522 1 1 259 . 7 1 1 A 23 23 GLN CB C 23 28.954 27.512 1.442 1 1 261 . 7 1 1 A 23 23 GLN N N 23 119.491 118.213 1.278 1 1 263 . 7 1 1 A 24 24 ALA H H 24 8.664 8.624 0.040 1 1 264 . 7 1 1 A 24 24 ALA HA H 24 4.030 4.539 -0.509 1 1 268 . 7 1 1 A 24 24 ALA C C 24 174.386 177.933 -3.547 1 1 269 . 7 1 1 A 24 24 ALA CA C 24 51.101 50.777 0.324 1 1 270 . 7 1 1 A 24 24 ALA CB C 24 19.111 19.383 -0.272 1 1 271 . 7 1 1 A 24 24 ALA N N 24 129.804 128.209 1.595 1 1 272 . 7 1 1 A 25 25 PRO HA H 25 4.422 4.483 -0.061 1 1 279 . 7 1 1 A 25 25 PRO C C 25 173.596 176.845 -3.249 1 1 280 . 7 1 1 A 25 25 PRO CA C 25 61.765 64.568 -2.803 1 1 281 . 7 1 1 A 25 25 PRO CB C 25 32.509 32.062 0.447 1 1 284 . 7 1 1 A 26 26 ASP H H 26 7.546 7.715 -0.169 1 1 285 . 7 1 1 A 26 26 ASP HA H 26 4.411 4.613 -0.202 1 1 288 . 7 1 1 A 26 26 ASP C C 26 175.591 173.904 1.687 1 1 289 . 7 1 1 A 26 26 ASP CA C 26 54.656 54.219 0.437 1 1 290 . 7 1 1 A 26 26 ASP CB C 26 42.625 43.818 -1.193 1 1 291 . 7 1 1 A 26 26 ASP N N 26 114.979 113.922 1.057 1 1 292 . 7 1 1 A 27 27 PHE H H 27 7.379 8.472 -1.093 1 1 293 . 7 1 1 A 27 27 PHE HA H 27 4.659 5.347 -0.688 1 1 295 . 7 1 1 A 27 27 PHE C C 27 173.407 172.330 1.077 1 1 296 . 7 1 1 A 27 27 PHE CA C 27 56.570 56.038 0.532 1 1 297 . 7 1 1 A 27 27 PHE CB C 27 39.891 41.762 -1.871 1 1 298 . 7 1 1 A 27 27 PHE N N 27 113.561 120.279 -6.718 1 1 299 . 7 1 1 A 28 28 THR H H 28 8.540 8.868 -0.328 1 1 300 . 7 1 1 A 28 28 THR HA H 28 4.936 5.650 -0.714 1 1 305 . 7 1 1 A 28 28 THR C C 28 173.443 173.705 -0.262 1 1 306 . 7 1 1 A 28 28 THR CA C 28 62.889 61.100 1.789 1 1 307 . 7 1 1 A 28 28 THR CB C 28 72.155 72.195 -0.040 1 1 309 . 7 1 1 A 28 28 THR N N 28 114.593 114.831 -0.238 1 1 310 . 7 1 1 A 29 29 VAL H H 29 9.120 9.325 -0.205 1 1 311 . 7 1 1 A 29 29 VAL HA H 29 4.863 5.073 -0.210 1 1 319 . 7 1 1 A 29 29 VAL C C 29 173.558 174.489 -0.931 1 1 320 . 7 1 1 A 29 29 VAL CA C 29 59.527 59.260 0.267 1 1 321 . 7 1 1 A 29 29 VAL CB C 29 35.243 36.371 -1.128 1 1 324 . 7 1 1 A 29 29 VAL N N 29 119.233 118.221 1.012 1 1 325 . 7 1 1 A 30 30 LEU H H 30 8.565 8.794 -0.229 1 1 326 . 7 1 1 A 30 30 LEU HA H 30 5.615 5.284 0.331 1 1 336 . 7 1 1 A 30 30 LEU C C 30 180.310 176.717 3.593 1 1 337 . 7 1 1 A 30 30 LEU CA C 30 53.562 53.349 0.213 1 1 338 . 7 1 1 A 30 30 LEU CB C 30 47.547 45.400 2.147 1 1 342 . 7 1 1 A 30 30 LEU N N 30 117.429 121.757 -4.328 1 1 343 . 7 1 1 A 31 31 THR H H 31 9.587 8.760 0.827 1 1 344 . 7 1 1 A 31 31 THR HA H 31 4.741 4.542 0.199 1 1 349 . 7 1 1 A 31 31 THR C C 31 176.457 175.611 0.846 1 1 350 . 7 1 1 A 31 31 THR CA C 31 60.632 60.611 0.021 1 1 351 . 7 1 1 A 31 31 THR CB C 31 71.451 71.368 0.083 1 1 353 . 7 1 1 A 31 31 THR N N 31 114.721 114.497 0.224 1 1 354 . 7 1 1 A 32 32 ASN H H 32 9.812 9.003 0.809 1 1 355 . 7 1 1 A 32 32 ASN HA H 32 4.352 4.467 -0.115 1 1 358 . 7 1 1 A 32 32 ASN C C 32 175.252 177.031 -1.779 1 1 359 . 7 1 1 A 32 32 ASN CA C 32 55.476 56.114 -0.638 1 1 360 . 7 1 1 A 32 32 ASN CB C 32 38.524 38.131 0.393 1 1 361 . 7 1 1 A 32 32 ASN N N 32 118.460 120.691 -2.231 1 1 362 . 7 1 1 A 33 33 SER H H 33 7.782 7.796 -0.014 1 1 363 . 7 1 1 A 33 33 SER HA H 33 4.562 4.532 0.030 1 1 366 . 7 1 1 A 33 33 SER C C 33 173.822 173.340 0.482 1 1 367 . 7 1 1 A 33 33 SER CA C 33 57.390 58.469 -1.079 1 1 368 . 7 1 1 A 33 33 SER CB C 33 62.859 63.264 -0.405 1 1 369 . 7 1 1 A 33 33 SER N N 33 110.725 112.025 -1.300 1 1 370 . 7 1 1 A 34 34 LEU H H 34 8.342 7.940 0.402 1 1 371 . 7 1 1 A 34 34 LEU HA H 34 3.686 3.748 -0.062 1 1 381 . 7 1 1 A 34 34 LEU C C 34 175.516 175.153 0.363 1 1 382 . 7 1 1 A 34 34 LEU CA C 34 57.117 56.154 0.963 1 1 383 . 7 1 1 A 34 34 LEU CB C 34 37.430 39.883 -2.453 1 1 387 . 7 1 1 A 34 34 LEU N N 34 116.913 119.700 -2.787 1 1 388 . 7 1 1 A 35 35 GLU H H 35 7.538 7.706 -0.168 1 1 389 . 7 1 1 A 35 35 GLU HA H 35 4.546 4.818 -0.272 1 1 394 . 7 1 1 A 35 35 GLU C C 35 176.005 175.651 0.354 1 1 395 . 7 1 1 A 35 35 GLU CA C 35 54.929 54.727 0.202 1 1 396 . 7 1 1 A 35 35 GLU CB C 35 30.868 32.215 -1.347 1 1 398 . 7 1 1 A 35 35 GLU N N 35 117.429 117.108 0.321 1 1 399 . 7 1 1 A 36 36 GLU H H 36 8.681 8.537 0.144 1 1 400 . 7 1 1 A 36 36 GLU HA H 36 4.740 4.605 0.135 1 1 405 . 7 1 1 A 36 36 GLU C C 36 176.833 176.051 0.782 1 1 406 . 7 1 1 A 36 36 GLU CA C 36 56.923 57.449 -0.526 1 1 407 . 7 1 1 A 36 36 GLU CB C 36 30.868 30.449 0.419 1 1 409 . 7 1 1 A 36 36 GLU N N 36 121.296 122.130 -0.834 1 1 410 . 7 1 1 A 37 37 LYS H H 37 9.122 8.391 0.731 1 1 411 . 7 1 1 A 37 37 LYS HA H 37 4.639 4.845 -0.206 1 1 420 . 7 1 1 A 37 37 LYS C C 37 173.671 174.060 -0.389 1 1 421 . 7 1 1 A 37 37 LYS CA C 37 55.476 55.529 -0.053 1 1 422 . 7 1 1 A 37 37 LYS CB C 37 35.243 36.609 -1.366 1 1 426 . 7 1 1 A 37 37 LYS N N 37 125.292 122.802 2.490 1 1 427 . 7 1 1 A 38 38 SER H H 38 9.337 8.644 0.693 1 1 428 . 7 1 1 A 38 38 SER HA H 38 5.310 4.885 0.425 1 1 431 . 7 1 1 A 38 38 SER C C 38 175.102 174.393 0.709 1 1 432 . 7 1 1 A 38 38 SER CA C 38 56.296 57.211 -0.915 1 1 433 . 7 1 1 A 38 38 SER CB C 38 67.233 67.178 0.055 1 1 434 . 7 1 1 A 38 38 SER N N 38 121.811 118.427 3.384 1 1 435 . 7 1 1 A 39 39 LEU H H 39 7.023 8.374 -1.351 1 1 436 . 7 1 1 A 39 39 LEU HA H 39 3.872 3.616 0.256 1 1 446 . 7 1 1 A 39 39 LEU C C 39 179.845 178.195 1.650 1 1 447 . 7 1 1 A 39 39 LEU CA C 39 58.210 57.933 0.277 1 1 448 . 7 1 1 A 39 39 LEU CB C 39 40.711 40.831 -0.120 1 1 452 . 7 1 1 A 39 39 LEU N N 39 121.811 126.852 -5.041 1 1 453 . 7 1 1 A 40 40 ALA H H 40 8.447 8.112 0.335 1 1 454 . 7 1 1 A 40 40 ALA HA H 40 3.890 4.058 -0.168 1 1 458 . 7 1 1 A 40 40 ALA C C 40 179.995 179.718 0.277 1 1 459 . 7 1 1 A 40 40 ALA CA C 40 55.203 54.481 0.722 1 1 460 . 7 1 1 A 40 40 ALA CB C 40 18.291 18.528 -0.237 1 1 461 . 7 1 1 A 40 40 ALA N N 40 119.362 119.660 -0.298 1 1 462 . 7 1 1 A 41 41 ASP H H 41 7.517 8.035 -0.518 1 1 463 . 7 1 1 A 41 41 ASP HA H 41 4.469 4.346 0.123 1 1 466 . 7 1 1 A 41 41 ASP C C 41 176.720 178.405 -1.685 1 1 467 . 7 1 1 A 41 41 ASP CA C 41 56.296 56.741 -0.445 1 1 468 . 7 1 1 A 41 41 ASP CB C 41 42.079 40.564 1.515 1 1 469 . 7 1 1 A 41 41 ASP N N 41 114.850 118.849 -3.999 1 1 470 . 7 1 1 A 42 42 MET H H 42 7.989 7.932 0.057 1 1 471 . 7 1 1 A 42 42 MET HA H 42 4.336 4.427 -0.091 1 1 479 . 7 1 1 A 42 42 MET C C 42 175.440 177.281 -1.841 1 1 480 . 7 1 1 A 42 42 MET CA C 42 56.843 58.279 -1.436 1 1 481 . 7 1 1 A 42 42 MET CB C 42 31.962 33.157 -1.195 1 1 484 . 7 1 1 A 42 42 MET N N 42 118.847 116.119 2.728 1 1 485 . 7 1 1 A 43 43 LYS H H 43 6.901 7.617 -0.716 1 1 486 . 7 1 1 A 43 43 LYS HA H 43 4.265 4.246 0.019 1 1 494 . 7 1 1 A 43 43 LYS C C 43 177.435 177.436 -0.001 1 1 495 . 7 1 1 A 43 43 LYS CA C 43 57.664 58.622 -0.958 1 1 496 . 7 1 1 A 43 43 LYS CB C 43 33.329 32.399 0.930 1 1 500 . 7 1 1 A 43 43 LYS N N 43 116.913 119.613 -2.700 1 1 501 . 7 1 1 A 44 44 GLY H H 44 9.268 9.015 0.253 1 1 502 . 7 1 1 A 44 44 GLY HA2 H 44 3.692 4.011 -0.319 1 1 503 . 7 1 1 A 44 44 GLY HA3 H 44 4.596 4.013 0.583 1 1 504 . 7 1 1 A 44 44 GLY C C 44 173.671 173.367 0.304 1 1 505 . 7 1 1 A 44 44 GLY CA C 44 44.813 45.008 -0.195 1 1 506 . 7 1 1 A 44 44 GLY N N 44 111.112 112.083 -0.971 1 1 507 . 7 1 1 A 45 45 LYS H H 45 7.516 7.288 0.228 1 1 508 . 7 1 1 A 45 45 LYS HA H 45 4.754 4.829 -0.075 1 1 515 . 7 1 1 A 45 45 LYS C C 45 175.214 174.702 0.512 1 1 516 . 7 1 1 A 45 45 LYS CA C 45 54.820 54.923 -0.103 1 1 517 . 7 1 1 A 45 45 LYS CB C 45 36.883 36.244 0.639 1 1 521 . 7 1 1 A 45 45 LYS N N 45 117.944 121.160 -3.216 1 1 522 . 7 1 1 A 46 46 VAL H H 46 8.887 8.592 0.295 1 1 523 . 7 1 1 A 46 46 VAL HA H 46 3.950 4.307 -0.357 1 1 531 . 7 1 1 A 46 46 VAL C C 46 174.876 175.271 -0.395 1 1 532 . 7 1 1 A 46 46 VAL CA C 46 64.773 63.333 1.440 1 1 533 . 7 1 1 A 46 46 VAL CB C 46 31.962 32.247 -0.285 1 1 536 . 7 1 1 A 46 46 VAL N N 46 124.776 124.353 0.423 1 1 537 . 7 1 1 A 47 47 THR H H 47 8.956 8.894 0.062 1 1 538 . 7 1 1 A 47 47 THR HA H 47 5.300 5.319 -0.019 1 1 543 . 7 1 1 A 47 47 THR C C 47 172.579 173.496 -0.917 1 1 544 . 7 1 1 A 47 47 THR CA C 47 62.312 61.355 0.957 1 1 545 . 7 1 1 A 47 47 THR CB C 47 73.249 72.121 1.128 1 1 547 . 7 1 1 A 47 47 THR N N 47 124.132 121.855 2.277 1 1 548 . 7 1 1 A 48 48 ILE H H 48 9.160 8.775 0.385 1 1 549 . 7 1 1 A 48 48 ILE HA H 48 4.740 4.920 -0.180 1 1 559 . 7 1 1 A 48 48 ILE C C 48 173.972 175.121 -1.149 1 1 560 . 7 1 1 A 48 48 ILE CA C 48 61.441 60.184 1.257 1 1 561 . 7 1 1 A 48 48 ILE CB C 48 40.438 41.867 -1.429 1 1 565 . 7 1 1 A 48 48 ILE N N 48 128.515 124.691 3.824 1 1 566 . 7 1 1 A 49 49 ILE H H 49 9.507 9.251 0.256 1 1 567 . 7 1 1 A 49 49 ILE HA H 49 4.883 5.182 -0.299 1 1 577 . 7 1 1 A 49 49 ILE C C 49 174.650 174.781 -0.131 1 1 578 . 7 1 1 A 49 49 ILE CA C 49 60.773 60.103 0.670 1 1 579 . 7 1 1 A 49 49 ILE CB C 49 41.532 42.017 -0.485 1 1 583 . 7 1 1 A 49 49 ILE N N 49 126.194 127.438 -1.244 1 1 584 . 7 1 1 A 50 50 SER H H 50 9.079 8.897 0.182 1 1 585 . 7 1 1 A 50 50 SER HA H 50 5.138 5.363 -0.225 1 1 588 . 7 1 1 A 50 50 SER C C 50 172.692 173.307 -0.615 1 1 589 . 7 1 1 A 50 50 SER CA C 50 56.843 57.268 -0.425 1 1 590 . 7 1 1 A 50 50 SER CB C 50 64.773 65.796 -1.023 1 1 591 . 7 1 1 A 50 50 SER N N 50 121.940 124.273 -2.333 1 1 592 . 7 1 1 A 51 51 VAL H H 51 9.010 9.313 -0.303 1 1 593 . 7 1 1 A 51 51 VAL HA H 51 4.873 5.280 -0.407 1 1 601 . 7 1 1 A 51 51 VAL CA C 51 61.595 60.915 0.680 1 1 602 . 7 1 1 A 51 51 VAL CB C 51 32.509 35.219 -2.710 1 1 605 . 7 1 1 A 51 51 VAL N N 51 128.128 124.852 3.276 1 1 606 . 7 1 1 A 52 52 ILE H H 52 8.182 8.856 -0.674 1 1 607 . 7 1 1 A 52 52 ILE HA H 52 4.862 4.787 0.075 1 1 616 . 7 1 1 A 52 52 ILE CA C 52 58.026 57.411 0.615 1 1 617 . 7 1 1 A 52 52 ILE CB C 52 43.172 40.257 2.915 1 1 621 . 7 1 1 A 52 52 ILE N N 52 124.776 122.491 2.285 1 1 622 . 7 1 1 A 53 53 PRO HA H 53 4.904 4.547 0.357 1 1 629 . 7 1 1 A 53 53 PRO CA C 53 65.560 64.946 0.614 1 1 630 . 7 1 1 A 53 53 PRO CB C 53 31.826 32.282 -0.456 1 1 633 . 7 1 1 A 54 54 SER H H 54 7.214 7.772 -0.558 1 1 634 . 7 1 1 A 54 54 SER HA H 54 5.100 4.805 0.295 1 1 637 . 7 1 1 A 54 54 SER CA C 54 57.417 57.793 -0.376 1 1 638 . 7 1 1 A 54 54 SER CB C 54 65.195 67.171 -1.976 1 1 639 . 7 1 1 A 54 54 SER N N 54 107.901 112.830 -4.929 1 1 640 . 7 1 1 A 55 55 ILE H H 55 7.330 8.747 -1.417 1 1 641 . 7 1 1 A 55 55 ILE HA H 55 5.075 3.735 1.340 1 1 651 . 7 1 1 A 55 55 ILE CA C 55 61.734 64.260 -2.526 1 1 652 . 7 1 1 A 55 55 ILE CB C 55 36.233 37.648 -1.415 1 1 656 . 7 1 1 A 56 56 ASP H H 56 8.699 7.830 0.869 1 1 657 . 7 1 1 A 56 56 ASP HA H 56 5.075 4.465 0.610 1 1 660 . 7 1 1 A 56 56 ASP CA C 56 54.407 56.804 -2.397 1 1 661 . 7 1 1 A 56 56 ASP CB C 56 42.832 41.502 1.330 1 1 662 . 7 1 1 A 56 56 ASP N N 56 121.940 121.297 0.643 1 1 663 . 7 1 1 A 57 57 THR H H 57 7.294 7.627 -0.333 1 1 664 . 7 1 1 A 57 57 THR HA H 57 4.323 4.226 0.097 1 1 669 . 7 1 1 A 57 57 THR C C 57 175.440 176.055 -0.615 1 1 670 . 7 1 1 A 57 57 THR CA C 57 61.765 63.410 -1.645 1 1 671 . 7 1 1 A 57 57 THR CB C 57 69.421 70.465 -1.044 1 1 673 . 7 1 1 A 57 57 THR N N 57 108.921 109.552 -0.631 1 1 674 . 7 1 1 A 58 58 GLY H H 58 8.215 7.849 0.366 1 1 675 . 7 1 1 A 58 58 GLY HA2 H 58 4.012 3.925 0.087 1 1 676 . 7 1 1 A 58 58 GLY HA3 H 58 4.012 3.933 0.079 1 1 677 . 7 1 1 A 58 58 GLY C C 58 173.520 175.408 -1.888 1 1 678 . 7 1 1 A 58 58 GLY CA C 58 45.360 45.695 -0.335 1 1 679 . 7 1 1 A 58 58 GLY N N 58 110.969 110.092 0.877 1 1 680 . 7 1 1 A 59 59 VAL H H 59 7.976 7.856 0.120 1 1 681 . 7 1 1 A 59 59 VAL HA H 59 4.307 3.728 0.579 1 1 689 . 7 1 1 A 59 59 VAL C C 59 175.854 177.996 -2.142 1 1 690 . 7 1 1 A 59 59 VAL CA C 59 61.765 65.625 -3.860 1 1 691 . 7 1 1 A 59 59 VAL CB C 59 33.329 31.209 2.120 1 1 694 . 7 1 1 A 59 59 VAL N N 59 118.501 120.420 -1.919 1 1 696 . 7 1 1 A 61 61 ASP HA H 61 4.323 4.378 -0.055 1 1 697 . 7 1 1 A 61 61 ASP CA C 61 54.382 56.587 -2.205 1 1 698 . 7 1 1 A 61 61 ASP CB C 61 39.142 40.639 -1.497 1 1 699 . 7 1 1 A 62 62 ALA H H 62 8.663 7.829 0.834 1 1 700 . 7 1 1 A 62 62 ALA HA H 62 3.971 3.906 0.065 1 1 704 . 7 1 1 A 62 62 ALA C C 62 180.485 178.017 2.468 1 1 705 . 7 1 1 A 62 62 ALA CA C 62 55.203 54.361 0.842 1 1 706 . 7 1 1 A 62 62 ALA CB C 62 18.838 18.576 0.262 1 1 707 . 7 1 1 A 63 63 GLN H H 63 8.550 7.609 0.941 1 1 708 . 7 1 1 A 63 63 GLN HA H 63 3.865 4.218 -0.353 1 1 715 . 7 1 1 A 63 63 GLN C C 63 178.527 176.961 1.566 1 1 716 . 7 1 1 A 63 63 GLN CA C 63 59.346 56.377 2.969 1 1 717 . 7 1 1 A 63 63 GLN CB C 63 28.635 30.222 -1.587 1 1 719 . 7 1 1 A 63 63 GLN N N 63 117.429 113.685 3.744 1 1 721 . 7 1 1 A 64 64 THR H H 64 8.121 8.319 -0.198 1 1 722 . 7 1 1 A 64 64 THR HA H 64 3.624 3.900 -0.276 1 1 727 . 7 1 1 A 64 64 THR C C 64 178.527 177.140 1.387 1 1 728 . 7 1 1 A 64 64 THR CA C 64 66.686 67.105 -0.419 1 1 729 . 7 1 1 A 64 64 THR CB C 64 68.600 68.453 0.147 1 1 731 . 7 1 1 A 64 64 THR N N 64 118.460 116.371 2.089 1 1 732 . 7 1 1 A 65 65 ARG H H 65 7.530 9.099 -1.569 1 1 733 . 7 1 1 A 65 65 ARG HA H 65 3.904 4.189 -0.285 1 1 739 . 7 1 1 A 65 65 ARG CA C 65 59.507 57.525 1.982 1 1 740 . 7 1 1 A 65 65 ARG CB C 65 29.637 29.027 0.610 1 1 743 . 7 1 1 A 66 66 ARG H H 66 7.972 7.703 0.269 1 1 744 . 7 1 1 A 66 66 ARG HA H 66 4.056 4.506 -0.450 1 1 751 . 7 1 1 A 66 66 ARG C C 66 177.624 178.041 -0.417 1 1 752 . 7 1 1 A 66 66 ARG CA C 66 59.031 57.443 1.588 1 1 753 . 7 1 1 A 66 66 ARG CB C 66 29.228 32.200 -2.972 1 1 756 . 7 1 1 A 66 66 ARG N N 66 118.460 119.116 -0.656 1 1 757 . 7 1 1 A 67 67 PHE H H 67 7.673 8.321 -0.648 1 1 758 . 7 1 1 A 67 67 PHE HA H 67 4.260 4.123 0.137 1 1 763 . 7 1 1 A 67 67 PHE C C 67 176.043 177.781 -1.738 1 1 764 . 7 1 1 A 67 67 PHE CA C 67 60.945 60.967 -0.022 1 1 765 . 7 1 1 A 67 67 PHE CB C 67 39.071 38.835 0.236 1 1 766 . 7 1 1 A 67 67 PHE N N 67 119.362 120.735 -1.373 1 1 767 . 7 1 1 A 68 68 ASN H H 68 7.688 8.959 -1.271 1 1 768 . 7 1 1 A 68 68 ASN HA H 68 4.150 4.125 0.025 1 1 771 . 7 1 1 A 68 68 ASN C C 68 177.172 177.445 -0.273 1 1 772 . 7 1 1 A 68 68 ASN CA C 68 55.750 55.661 0.089 1 1 773 . 7 1 1 A 68 68 ASN CB C 68 37.977 37.321 0.656 1 1 774 . 7 1 1 A 68 68 ASN N N 68 117.042 116.568 0.474 1 1 775 . 7 1 1 A 69 69 GLU H H 69 8.185 8.174 0.011 1 1 776 . 7 1 1 A 69 69 GLU HA H 69 3.848 3.949 -0.101 1 1 781 . 7 1 1 A 69 69 GLU C C 69 179.468 178.941 0.527 1 1 782 . 7 1 1 A 69 69 GLU CA C 69 59.577 59.353 0.224 1 1 783 . 7 1 1 A 69 69 GLU CB C 69 30.321 29.308 1.013 1 1 785 . 7 1 1 A 69 69 GLU N N 69 118.975 120.282 -1.307 1 1 786 . 7 1 1 A 70 70 GLU H H 70 8.671 8.267 0.404 1 1 787 . 7 1 1 A 70 70 GLU HA H 70 3.807 3.959 -0.152 1 1 792 . 7 1 1 A 70 70 GLU C C 70 179.468 178.831 0.637 1 1 793 . 7 1 1 A 70 70 GLU CA C 70 58.757 59.060 -0.303 1 1 794 . 7 1 1 A 70 70 GLU CB C 70 29.501 29.790 -0.289 1 1 796 . 7 1 1 A 70 70 GLU N N 70 118.975 118.425 0.550 1 1 797 . 7 1 1 A 71 71 ALA H H 71 8.418 8.138 0.280 1 1 798 . 7 1 1 A 71 71 ALA HA H 71 3.616 3.902 -0.286 1 1 802 . 7 1 1 A 71 71 ALA C C 71 178.226 180.060 -1.834 1 1 803 . 7 1 1 A 71 71 ALA CA C 71 54.656 54.858 -0.202 1 1 804 . 7 1 1 A 71 71 ALA CB C 71 18.017 17.762 0.255 1 1 805 . 7 1 1 A 71 71 ALA N N 71 122.069 123.059 -0.990 1 1 806 . 7 1 1 A 72 72 ALA H H 72 7.520 7.682 -0.162 1 1 807 . 7 1 1 A 72 72 ALA HA H 72 3.842 3.969 -0.127 1 1 811 . 7 1 1 A 72 72 ALA C C 72 179.280 179.471 -0.191 1 1 812 . 7 1 1 A 72 72 ALA CA C 72 54.109 54.766 -0.657 1 1 813 . 7 1 1 A 72 72 ALA CB C 72 18.564 18.282 0.282 1 1 814 . 7 1 1 A 72 72 ALA N N 72 116.139 119.743 -3.604 1 1 815 . 7 1 1 A 73 73 LYS H H 73 7.302 7.566 -0.264 1 1 816 . 7 1 1 A 73 73 LYS HA H 73 4.129 4.053 0.076 1 1 825 . 7 1 1 A 73 73 LYS C C 73 177.661 179.460 -1.799 1 1 826 . 7 1 1 A 73 73 LYS CA C 73 57.116 58.762 -1.646 1 1 827 . 7 1 1 A 73 73 LYS CB C 73 32.782 32.018 0.764 1 1 831 . 7 1 1 A 73 73 LYS N N 73 114.850 117.414 -2.564 1 1 832 . 7 1 1 A 74 74 LEU H H 74 7.398 7.234 0.164 1 1 833 . 7 1 1 A 74 74 LEU HA H 74 3.983 4.033 -0.050 1 1 843 . 7 1 1 A 74 74 LEU C C 74 177.021 176.809 0.212 1 1 844 . 7 1 1 A 74 74 LEU CA C 74 56.843 56.868 -0.025 1 1 845 . 7 1 1 A 74 74 LEU CB C 74 42.625 42.819 -0.194 1 1 849 . 7 1 1 A 74 74 LEU N N 74 118.460 118.963 -0.503 1 1 850 . 7 1 1 A 75 75 GLY H H 75 7.174 7.229 -0.055 1 1 851 . 7 1 1 A 75 75 GLY HA2 H 75 4.215 4.056 0.159 1 1 852 . 7 1 1 A 75 75 GLY HA3 H 75 3.630 4.057 -0.427 1 1 853 . 7 1 1 A 75 75 GLY C C 75 172.805 173.840 -1.035 1 1 854 . 7 1 1 A 75 75 GLY CA C 75 45.360 45.563 -0.203 1 1 855 . 7 1 1 A 75 75 GLY N N 75 102.991 104.380 -1.389 1 1 856 . 7 1 1 A 76 76 ASP H H 76 8.825 8.667 0.158 1 1 857 . 7 1 1 A 76 76 ASP HA H 76 4.766 4.663 0.103 1 1 860 . 7 1 1 A 76 76 ASP C C 76 173.749 175.727 -1.978 1 1 861 . 7 1 1 A 76 76 ASP CA C 76 53.708 54.052 -0.344 1 1 862 . 7 1 1 A 76 76 ASP CB C 76 39.071 40.590 -1.519 1 1 863 . 7 1 1 A 76 76 ASP N N 76 126.839 120.609 6.230 1 1 864 . 7 1 1 A 77 77 VAL H H 77 7.511 7.454 0.057 1 1 865 . 7 1 1 A 77 77 VAL HA H 77 4.772 4.045 0.727 1 1 873 . 7 1 1 A 77 77 VAL C C 77 175.629 175.759 -0.130 1 1 874 . 7 1 1 A 77 77 VAL CA C 77 58.959 61.870 -2.911 1 1 875 . 7 1 1 A 77 77 VAL CB C 77 34.970 32.541 2.429 1 1 878 . 7 1 1 A 77 77 VAL N N 77 115.615 117.749 -2.134 1 1 879 . 7 1 1 A 78 78 ASN H H 78 8.822 8.614 0.208 1 1 880 . 7 1 1 A 78 78 ASN HA H 78 4.820 4.712 0.108 1 1 885 . 7 1 1 A 78 78 ASN C C 78 174.047 174.783 -0.736 1 1 886 . 7 1 1 A 78 78 ASN CA C 78 52.085 53.612 -1.527 1 1 887 . 7 1 1 A 78 78 ASN CB C 78 40.438 38.843 1.595 1 1 888 . 7 1 1 A 78 78 ASN N N 78 120.393 121.905 -1.512 1 1 890 . 7 1 1 A 79 79 VAL H H 79 8.044 8.045 -0.001 1 1 891 . 7 1 1 A 79 79 VAL HA H 79 4.669 4.835 -0.166 1 1 899 . 7 1 1 A 79 79 VAL C C 79 174.123 174.190 -0.067 1 1 900 . 7 1 1 A 79 79 VAL CA C 79 61.491 60.541 0.950 1 1 901 . 7 1 1 A 79 79 VAL CB C 79 33.329 34.765 -1.436 1 1 904 . 7 1 1 A 79 79 VAL N N 79 122.456 122.619 -0.163 1 1 905 . 7 1 1 A 80 80 TYR H H 80 8.944 8.934 0.010 1 1 906 . 7 1 1 A 80 80 TYR HA H 80 6.170 5.324 0.846 1 1 911 . 7 1 1 A 80 80 TYR C C 80 177.210 174.969 2.241 1 1 912 . 7 1 1 A 80 80 TYR CA C 80 54.929 56.177 -1.248 1 1 913 . 7 1 1 A 80 80 TYR CB C 80 42.899 42.746 0.153 1 1 914 . 7 1 1 A 80 80 TYR N N 80 123.229 125.455 -2.226 1 1 915 . 7 1 1 A 81 81 THR H H 81 8.465 8.812 -0.347 1 1 916 . 7 1 1 A 81 81 THR HA H 81 5.652 5.524 0.128 1 1 921 . 7 1 1 A 81 81 THR C C 81 172.880 173.445 -0.565 1 1 922 . 7 1 1 A 81 81 THR CA C 81 62.038 61.316 0.722 1 1 923 . 7 1 1 A 81 81 THR CB C 81 71.608 71.407 0.201 1 1 925 . 7 1 1 A 81 81 THR N N 81 119.491 115.671 3.820 1 1 926 . 7 1 1 A 82 82 ILE H H 82 8.958 8.882 0.076 1 1 927 . 7 1 1 A 82 82 ILE HA H 82 5.145 5.090 0.055 1 1 937 . 7 1 1 A 82 82 ILE C C 82 174.123 174.959 -0.836 1 1 938 . 7 1 1 A 82 82 ILE CA C 82 59.847 59.760 0.087 1 1 939 . 7 1 1 A 82 82 ILE CB C 82 39.618 40.819 -1.201 1 1 943 . 7 1 1 A 82 82 ILE N N 82 125.550 126.072 -0.522 1 1 944 . 7 1 1 A 83 83 SER H H 83 7.731 8.750 -1.019 1 1 945 . 7 1 1 A 83 83 SER HA H 83 4.909 5.593 -0.684 1 1 948 . 7 1 1 A 83 83 SER C C 83 173.182 173.698 -0.516 1 1 949 . 7 1 1 A 83 83 SER CA C 83 57.034 57.623 -0.589 1 1 950 . 7 1 1 A 83 83 SER CB C 83 68.054 66.654 1.400 1 1 951 . 7 1 1 A 83 83 SER N N 83 117.171 123.053 -5.882 1 1 952 . 7 1 1 A 84 84 ALA H H 84 9.548 8.457 1.091 1 1 953 . 7 1 1 A 84 84 ALA HA H 84 4.177 4.632 -0.455 1 1 957 . 7 1 1 A 84 84 ALA C C 84 175.290 177.400 -2.110 1 1 958 . 7 1 1 A 84 84 ALA CA C 84 51.922 50.067 1.855 1 1 959 . 7 1 1 A 84 84 ALA CB C 84 19.111 20.228 -1.117 1 1 960 . 7 1 1 A 84 84 ALA N N 84 120.651 125.389 -4.738 1 1 961 . 7 1 1 A 85 85 ASP H H 85 7.739 8.700 -0.961 1 1 962 . 7 1 1 A 85 85 ASP HA H 85 4.380 3.959 0.421 1 1 965 . 7 1 1 A 85 85 ASP C C 85 175.591 176.301 -0.710 1 1 966 . 7 1 1 A 85 85 ASP CA C 85 55.136 54.741 0.395 1 1 967 . 7 1 1 A 85 85 ASP CB C 85 43.011 41.181 1.830 1 1 968 . 7 1 1 A 85 85 ASP N N 85 114.721 117.307 -2.586 1 1 969 . 7 1 1 A 86 86 LEU H H 86 8.475 7.405 1.070 1 1 970 . 7 1 1 A 86 86 LEU HA H 86 3.956 4.344 -0.388 1 1 980 . 7 1 1 A 86 86 LEU CA C 86 54.656 53.634 1.022 1 1 981 . 7 1 1 A 86 86 LEU CB C 86 39.380 41.441 -2.061 1 1 985 . 7 1 1 A 87 87 PRO HA H 87 4.225 4.291 -0.066 1 1 992 . 7 1 1 A 87 87 PRO CA C 87 65.046 64.209 0.837 1 1 993 . 7 1 1 A 87 87 PRO CB C 87 32.264 31.319 0.945 1 1 996 . 7 1 1 A 88 88 PHE H H 88 5.565 7.776 -2.211 1 1 997 . 7 1 1 A 88 88 PHE HA H 88 4.340 4.802 -0.462 1 1 1000 . 7 1 1 A 88 88 PHE CA C 88 57.664 57.265 0.399 1 1 1001 . 7 1 1 A 88 88 PHE CB C 88 39.344 38.599 0.745 1 1 1002 . 7 1 1 A 88 88 PHE N N 88 110.725 113.858 -3.133 1 1 1003 . 7 1 1 A 89 89 ALA H H 89 7.381 7.770 -0.389 1 1 1004 . 7 1 1 A 89 89 ALA HA H 89 4.239 4.159 0.080 1 1 1008 . 7 1 1 A 89 89 ALA CA C 89 52.009 54.428 -2.419 1 1 1009 . 7 1 1 A 89 89 ALA CB C 89 19.761 19.198 0.563 1 1 1010 . 7 1 1 A 89 89 ALA N N 89 114.850 121.209 -6.359 1 1 1011 . 7 1 1 A 90 90 GLN H H 90 7.231 7.621 -0.390 1 1 1012 . 7 1 1 A 90 90 GLN HA H 90 3.695 4.682 -0.987 1 1 1018 . 7 1 1 A 90 90 GLN CA C 90 59.578 54.318 5.260 1 1 1019 . 7 1 1 A 90 90 GLN CB C 90 28.728 33.644 -4.916 1 1 1022 . 7 1 1 A 91 91 ALA H H 91 7.741 8.409 -0.668 1 1 1023 . 7 1 1 A 91 91 ALA HA H 91 4.202 4.282 -0.080 1 1 1027 . 7 1 1 A 91 91 ALA CA C 91 54.382 50.479 3.903 1 1 1028 . 7 1 1 A 91 91 ALA CB C 91 18.837 22.468 -3.631 1 1 1029 . 7 1 1 A 91 91 ALA N N 91 118.589 121.656 -3.067 1 1 1030 . 7 1 1 A 92 92 ARG H H 92 7.354 8.110 -0.756 1 1 1031 . 7 1 1 A 92 92 ARG HA H 92 4.588 4.497 0.091 1 1 1038 . 7 1 1 A 92 92 ARG CA C 92 55.476 55.243 0.233 1 1 1039 . 7 1 1 A 92 92 ARG CB C 92 30.048 29.748 0.300 1 1 1042 . 7 1 1 A 93 93 TRP H H 93 7.767 7.076 0.691 1 1 1043 . 7 1 1 A 93 93 TRP HA H 93 4.881 4.742 0.139 1 1 1050 . 7 1 1 A 93 93 TRP CA C 93 57.534 56.258 1.276 1 1 1051 . 7 1 1 A 93 93 TRP CB C 93 29.501 31.319 -1.818 1 1 1052 . 7 1 1 A 93 93 TRP N N 93 121.927 117.550 4.377 1 1 1054 . 7 1 1 A 94 94 CYS HA H 94 3.901 4.209 -0.308 1 1 1057 . 7 1 1 A 94 94 CYS CA C 94 59.577 57.361 2.216 1 1 1058 . 7 1 1 A 94 94 CYS CB C 94 43.446 41.682 1.764 1 1 1059 . 7 1 1 A 95 95 GLY HA2 H 95 5.122 4.071 1.051 1 1 1060 . 7 1 1 A 95 95 GLY HA3 H 95 3.691 4.089 -0.398 1 1 1061 . 7 1 1 A 95 95 GLY CA C 95 45.511 46.060 -0.549 1 1 1062 . 7 1 1 A 96 96 ALA H H 96 7.504 8.304 -0.800 1 1 1063 . 7 1 1 A 96 96 ALA HA H 96 4.412 4.476 -0.064 1 1 1067 . 7 1 1 A 96 96 ALA CA C 96 51.699 51.482 0.217 1 1 1068 . 7 1 1 A 96 96 ALA CB C 96 21.025 17.462 3.563 1 1 1069 . 7 1 1 A 96 96 ALA N N 96 121.579 126.171 -4.592 1 1 1070 . 7 1 1 A 97 97 ASN H H 97 7.345 8.773 -1.428 1 1 1071 . 7 1 1 A 97 97 ASN HA H 97 4.551 5.027 -0.476 1 1 1076 . 7 1 1 A 97 97 ASN CA C 97 54.929 52.514 2.415 1 1 1077 . 7 1 1 A 97 97 ASN CB C 97 39.071 41.824 -2.753 1 1 1079 . 7 1 1 A 98 98 GLY H H 98 8.890 8.697 0.193 1 1 1080 . 7 1 1 A 98 98 GLY HA2 H 98 3.796 3.944 -0.148 1 1 1081 . 7 1 1 A 98 98 GLY HA3 H 98 4.070 3.944 0.126 1 1 1082 . 7 1 1 A 98 98 GLY C C 98 174.160 173.750 0.410 1 1 1083 . 7 1 1 A 98 98 GLY CA C 98 45.841 45.408 0.433 1 1 1084 . 7 1 1 A 99 99 ILE H H 99 7.739 7.811 -0.072 1 1 1085 . 7 1 1 A 99 99 ILE HA H 99 4.198 4.262 -0.064 1 1 1095 . 7 1 1 A 99 99 ILE C C 99 175.561 175.213 0.348 1 1 1096 . 7 1 1 A 99 99 ILE CA C 99 60.671 60.728 -0.057 1 1 1097 . 7 1 1 A 99 99 ILE CB C 99 38.524 39.099 -0.575 1 1 1101 . 7 1 1 A 99 99 ILE N N 99 120.780 122.700 -1.920 1 1 1102 . 7 1 1 A 100 100 ASP H H 100 8.372 8.742 -0.370 1 1 1103 . 7 1 1 A 100 100 ASP HA H 100 4.426 4.190 0.236 1 1 1106 . 7 1 1 A 100 100 ASP C C 100 176.325 177.816 -1.491 1 1 1107 . 7 1 1 A 100 100 ASP CA C 100 56.023 57.535 -1.512 1 1 1108 . 7 1 1 A 100 100 ASP CB C 100 40.985 40.458 0.527 1 1 1109 . 7 1 1 A 100 100 ASP N N 100 126.194 128.876 -2.682 1 1 1110 . 7 1 1 A 101 101 LYS H H 101 8.081 7.826 0.255 1 1 1111 . 7 1 1 A 101 101 LYS HA H 101 4.052 4.226 -0.174 1 1 1120 . 7 1 1 A 101 101 LYS C C 101 175.874 177.538 -1.664 1 1 1121 . 7 1 1 A 101 101 LYS CA C 101 58.210 58.067 0.143 1 1 1122 . 7 1 1 A 101 101 LYS CB C 101 31.689 32.208 -0.519 1 1 1126 . 7 1 1 A 101 101 LYS N N 101 115.366 116.807 -1.441 1 1 1127 . 7 1 1 A 102 102 VAL H H 102 7.631 7.523 0.108 1 1 1128 . 7 1 1 A 102 102 VAL HA H 102 4.419 4.097 0.322 1 1 1136 . 7 1 1 A 102 102 VAL C C 102 175.145 175.671 -0.526 1 1 1137 . 7 1 1 A 102 102 VAL CA C 102 61.919 63.032 -1.113 1 1 1138 . 7 1 1 A 102 102 VAL CB C 102 32.782 32.233 0.549 1 1 1141 . 7 1 1 A 102 102 VAL N N 102 119.362 120.070 -0.708 1 1 1142 . 7 1 1 A 103 103 GLU H H 103 8.489 8.487 0.002 1 1 1143 . 7 1 1 A 103 103 GLU HA H 103 4.931 4.890 0.041 1 1 1148 . 7 1 1 A 103 103 GLU C C 103 175.943 175.294 0.649 1 1 1149 . 7 1 1 A 103 103 GLU CA C 103 55.140 54.935 0.205 1 1 1150 . 7 1 1 A 103 103 GLU CB C 103 33.329 34.190 -0.861 1 1 1152 . 7 1 1 A 103 103 GLU N N 103 126.581 125.648 0.933 1 1 1153 . 7 1 1 A 104 104 THR H H 104 8.690 8.663 0.027 1 1 1154 . 7 1 1 A 104 104 THR HA H 104 5.292 5.196 0.096 1 1 1159 . 7 1 1 A 104 104 THR C C 104 173.165 173.993 -0.828 1 1 1160 . 7 1 1 A 104 104 THR CA C 104 58.757 60.207 -1.450 1 1 1161 . 7 1 1 A 104 104 THR CB C 104 69.967 70.503 -0.536 1 1 1163 . 7 1 1 A 104 104 THR N N 104 114.979 115.860 -0.881 1 1 1164 . 7 1 1 A 105 105 LEU H H 105 8.635 9.081 -0.446 1 1 1165 . 7 1 1 A 105 105 LEU HA H 105 4.979 5.262 -0.283 1 1 1175 . 7 1 1 A 105 105 LEU C C 105 176.985 176.277 0.708 1 1 1176 . 7 1 1 A 105 105 LEU CA C 105 52.849 53.544 -0.695 1 1 1177 . 7 1 1 A 105 105 LEU CB C 105 45.633 45.402 0.231 1 1 1181 . 7 1 1 A 105 105 LEU N N 105 119.233 124.756 -5.523 1 1 1182 . 7 1 1 A 106 106 SER H H 106 9.670 9.380 0.290 1 1 1183 . 7 1 1 A 106 106 SER HA H 106 5.485 5.111 0.374 1 1 1186 . 7 1 1 A 106 106 SER C C 106 176.256 174.704 1.552 1 1 1187 . 7 1 1 A 106 106 SER CA C 106 56.570 57.001 -0.431 1 1 1188 . 7 1 1 A 106 106 SER CB C 106 65.593 63.984 1.609 1 1 1189 . 7 1 1 A 106 106 SER N N 106 114.979 118.365 -3.386 1 1 1190 . 7 1 1 A 107 107 ASP H H 107 8.764 7.972 0.792 1 1 1191 . 7 1 1 A 107 107 ASP HA H 107 5.517 4.132 1.385 1 1 1194 . 7 1 1 A 107 107 ASP CA C 107 52.753 57.066 -4.313 1 1 1195 . 7 1 1 A 107 107 ASP CB C 107 45.086 41.184 3.902 1 1 1196 . 7 1 1 A 107 107 ASP N N 107 132.898 122.792 10.106 1 1 1197 . 7 1 1 A 108 108 HIS H H 108 7.940 8.269 -0.329 1 1 1198 . 7 1 1 A 108 108 HIS HA H 108 4.075 4.334 -0.259 1 1 1200 . 7 1 1 A 108 108 HIS CA C 108 59.577 59.029 0.548 1 1 1201 . 7 1 1 A 108 108 HIS CB C 108 29.861 28.575 1.286 1 1 1202 . 7 1 1 A 108 108 HIS N N 108 116.397 116.594 -0.197 1 1 1203 . 7 1 1 A 109 109 ARG HA H 109 4.214 3.863 0.351 1 1 1206 . 7 1 1 A 109 109 ARG CA C 109 59.031 58.221 0.810 1 1 1207 . 7 1 1 A 109 109 ARG CB C 109 27.861 29.837 -1.976 1 1 1208 . 7 1 1 A 110 110 ASP HA H 110 4.867 4.865 0.002 1 1 1211 . 7 1 1 A 110 110 ASP C C 110 175.735 176.110 -0.375 1 1 1212 . 7 1 1 A 110 110 ASP CA C 110 53.708 54.330 -0.622 1 1 1213 . 7 1 1 A 110 110 ASP CB C 110 43.875 43.510 0.365 1 1 1214 . 7 1 1 A 111 111 MET H H 111 7.899 8.692 -0.793 1 1 1215 . 7 1 1 A 111 111 MET HA H 111 4.503 4.270 0.233 1 1 1221 . 7 1 1 A 111 111 MET C C 111 177.332 175.742 1.590 1 1 1222 . 7 1 1 A 111 111 MET CA C 111 56.570 57.335 -0.765 1 1 1223 . 7 1 1 A 111 111 MET CB C 111 30.868 30.934 -0.066 1 1 1226 . 7 1 1 A 111 111 MET N N 111 116.397 117.104 -0.707 1 1 1227 . 7 1 1 A 112 112 SER H H 112 7.931 8.073 -0.142 1 1 1228 . 7 1 1 A 112 112 SER HA H 112 4.248 4.149 0.099 1 1 1231 . 7 1 1 A 112 112 SER C C 112 179.173 175.995 3.178 1 1 1232 . 7 1 1 A 112 112 SER CA C 112 60.945 62.433 -1.488 1 1 1233 . 7 1 1 A 112 112 SER CB C 112 64.499 63.331 1.168 1 1 1234 . 7 1 1 A 112 112 SER N N 112 113.561 115.391 -1.830 1 1 1235 . 7 1 1 A 113 113 PHE H H 113 10.125 7.956 2.169 1 1 1236 . 7 1 1 A 113 113 PHE HA H 113 3.593 3.799 -0.206 1 1 1241 . 7 1 1 A 113 113 PHE C C 113 177.437 177.932 -0.495 1 1 1242 . 7 1 1 A 113 113 PHE CA C 113 62.312 61.156 1.156 1 1 1243 . 7 1 1 A 113 113 PHE CB C 113 37.704 38.465 -0.761 1 1 1244 . 7 1 1 A 113 113 PHE N N 113 125.550 122.444 3.106 1 1 1245 . 7 1 1 A 114 114 GLY H H 114 10.707 8.726 1.981 1 1 1246 . 7 1 1 A 114 114 GLY HA2 H 114 3.396 3.445 -0.049 1 1 1247 . 7 1 1 A 114 114 GLY HA3 H 114 3.218 3.587 -0.369 1 1 1248 . 7 1 1 A 114 114 GLY C C 114 175.735 175.629 0.106 1 1 1249 . 7 1 1 A 114 114 GLY CA C 114 48.641 47.160 1.481 1 1 1250 . 7 1 1 A 114 114 GLY N N 114 109.178 104.783 4.395 1 1 1251 . 7 1 1 A 115 115 GLU H H 115 8.251 8.461 -0.210 1 1 1252 . 7 1 1 A 115 115 GLU HA H 115 4.431 4.251 0.180 1 1 1257 . 7 1 1 A 115 115 GLU C C 115 178.756 178.560 0.196 1 1 1258 . 7 1 1 A 115 115 GLU CA C 115 59.031 59.135 -0.104 1 1 1259 . 7 1 1 A 115 115 GLU CB C 115 29.775 29.868 -0.093 1 1 1261 . 7 1 1 A 115 115 GLU N N 115 120.522 121.561 -1.039 1 1 1262 . 7 1 1 A 116 116 ALA H H 116 7.895 8.227 -0.332 1 1 1263 . 7 1 1 A 116 116 ALA HA H 116 4.111 4.136 -0.025 1 1 1267 . 7 1 1 A 116 116 ALA C C 116 177.610 179.147 -1.537 1 1 1268 . 7 1 1 A 116 116 ALA CA C 116 55.476 54.929 0.547 1 1 1269 . 7 1 1 A 116 116 ALA CB C 116 18.838 18.391 0.447 1 1 1270 . 7 1 1 A 116 116 ALA N N 116 123.100 122.400 0.700 1 1 1271 . 7 1 1 A 117 117 PHE H H 117 8.161 7.710 0.451 1 1 1272 . 7 1 1 A 117 117 PHE HA H 117 4.262 4.405 -0.143 1 1 1277 . 7 1 1 A 117 117 PHE C C 117 175.353 175.579 -0.226 1 1 1278 . 7 1 1 A 117 117 PHE CA C 117 56.843 57.319 -0.476 1 1 1279 . 7 1 1 A 117 117 PHE CB C 117 38.251 38.337 -0.086 1 1 1280 . 7 1 1 A 117 117 PHE N N 117 113.432 112.837 0.595 1 1 1281 . 7 1 1 A 118 118 GLY H H 118 7.685 7.827 -0.142 1 1 1282 . 7 1 1 A 118 118 GLY HA2 H 118 3.544 3.950 -0.406 1 1 1283 . 7 1 1 A 118 118 GLY HA3 H 118 4.362 3.952 0.410 1 1 1284 . 7 1 1 A 118 118 GLY C C 118 174.901 175.500 -0.599 1 1 1285 . 7 1 1 A 118 118 GLY CA C 118 47.274 46.917 0.357 1 1 1286 . 7 1 1 A 118 118 GLY N N 118 112.143 108.350 3.793 1 1 1287 . 7 1 1 A 119 119 VAL H H 119 8.380 8.053 0.327 1 1 1288 . 7 1 1 A 119 119 VAL HA H 119 4.788 4.541 0.247 1 1 1296 . 7 1 1 A 119 119 VAL C C 119 174.901 175.835 -0.934 1 1 1297 . 7 1 1 A 119 119 VAL CA C 119 59.532 61.704 -2.172 1 1 1298 . 7 1 1 A 119 119 VAL CB C 119 32.509 32.632 -0.123 1 1 1301 . 7 1 1 A 119 119 VAL N N 119 102.475 117.645 -15.170 1 1 1302 . 7 1 1 A 120 120 TYR H H 120 6.841 7.705 -0.864 1 1 1303 . 7 1 1 A 120 120 TYR HA H 120 4.484 4.544 -0.060 1 1 1308 . 7 1 1 A 120 120 TYR C C 120 173.443 175.137 -1.694 1 1 1309 . 7 1 1 A 120 120 TYR CA C 120 54.929 57.582 -2.653 1 1 1310 . 7 1 1 A 120 120 TYR CB C 120 37.704 38.510 -0.806 1 1 1311 . 7 1 1 A 120 120 TYR N N 120 124.518 124.650 -0.132 1 1 1312 . 7 1 1 A 121 121 ILE H H 121 9.244 9.110 0.134 1 1 1313 . 7 1 1 A 121 121 ILE HA H 121 4.419 4.131 0.288 1 1 1323 . 7 1 1 A 121 121 ILE C C 121 176.221 176.653 -0.432 1 1 1324 . 7 1 1 A 121 121 ILE CA C 121 62.014 62.038 -0.024 1 1 1325 . 7 1 1 A 121 121 ILE CB C 121 37.704 37.262 0.442 1 1 1329 . 7 1 1 A 121 121 ILE N N 121 128.772 129.112 -0.340 1 1 1330 . 7 1 1 A 122 122 LYS H H 122 9.328 9.011 0.317 1 1 1331 . 7 1 1 A 122 122 LYS HA H 122 3.588 3.603 -0.015 1 1 1340 . 7 1 1 A 122 122 LYS C C 122 179.069 177.938 1.131 1 1 1341 . 7 1 1 A 122 122 LYS CA C 122 60.124 59.556 0.568 1 1 1342 . 7 1 1 A 122 122 LYS CB C 122 33.329 32.131 1.198 1 1 1346 . 7 1 1 A 122 122 LYS N N 122 134.955 129.265 5.690 1 1 1347 . 7 1 1 A 123 123 GLU H H 123 10.228 8.169 2.059 1 1 1348 . 7 1 1 A 123 123 GLU HA H 123 3.919 4.253 -0.334 1 1 1353 . 7 1 1 A 123 123 GLU C C 123 176.638 176.569 0.069 1 1 1354 . 7 1 1 A 123 123 GLU CA C 123 61.218 57.120 4.098 1 1 1355 . 7 1 1 A 123 123 GLU CB C 123 29.228 29.831 -0.603 1 1 1357 . 7 1 1 A 123 123 GLU N N 123 115.624 117.230 -1.606 1 1 1358 . 7 1 1 A 124 124 LEU H H 124 6.480 7.606 -1.126 1 1 1359 . 7 1 1 A 124 124 LEU HA H 124 4.464 4.434 0.030 1 1 1369 . 7 1 1 A 124 124 LEU C C 124 175.403 176.710 -1.307 1 1 1370 . 7 1 1 A 124 124 LEU CA C 124 53.562 54.325 -0.763 1 1 1371 . 7 1 1 A 124 124 LEU CB C 124 44.813 43.666 1.147 1 1 1375 . 7 1 1 A 124 124 LEU N N 124 110.434 120.171 -9.737 1 1 1376 . 7 1 1 A 125 125 ARG H H 125 8.701 8.069 0.632 1 1 1377 . 7 1 1 A 125 125 ARG HA H 125 3.783 4.309 -0.526 1 1 1380 . 7 1 1 A 125 125 ARG C C 125 173.029 174.957 -1.928 1 1 1381 . 7 1 1 A 125 125 ARG CA C 125 57.664 57.095 0.569 1 1 1382 . 7 1 1 A 125 125 ARG CB C 125 30.965 27.966 2.999 1 1 1383 . 7 1 1 A 125 125 ARG N N 125 121.940 119.194 2.746 1 1 1384 . 7 1 1 A 126 126 LEU H H 126 6.671 7.617 -0.946 1 1 1385 . 7 1 1 A 126 126 LEU HA H 126 4.621 4.904 -0.283 1 1 1395 . 7 1 1 A 126 126 LEU C C 126 174.203 176.017 -1.814 1 1 1396 . 7 1 1 A 126 126 LEU CA C 126 51.922 53.229 -1.307 1 1 1397 . 7 1 1 A 126 126 LEU CB C 126 46.727 44.398 2.329 1 1 1401 . 7 1 1 A 126 126 LEU N N 126 111.885 120.882 -8.997 1 1 1402 . 7 1 1 A 127 127 LEU H H 127 8.447 8.702 -0.255 1 1 1403 . 7 1 1 A 127 127 LEU HA H 127 5.153 4.541 0.612 1 1 1413 . 7 1 1 A 127 127 LEU C C 127 175.145 177.457 -2.312 1 1 1414 . 7 1 1 A 127 127 LEU CA C 127 52.742 54.784 -2.042 1 1 1415 . 7 1 1 A 127 127 LEU CB C 127 43.172 42.160 1.012 1 1 1419 . 7 1 1 A 127 127 LEU N N 127 118.983 121.897 -2.914 1 1 1420 . 7 1 1 A 128 128 ALA H H 128 9.160 8.856 0.304 1 1 1421 . 7 1 1 A 128 128 ALA HA H 128 3.843 4.510 -0.667 1 1 1425 . 7 1 1 A 128 128 ALA C C 128 176.603 177.106 -0.503 1 1 1426 . 7 1 1 A 128 128 ALA CA C 128 52.469 52.233 0.236 1 1 1427 . 7 1 1 A 128 128 ALA CB C 128 18.291 19.381 -1.090 1 1 1428 . 7 1 1 A 128 128 ALA N N 128 121.682 127.642 -5.960 1 1 1429 . 7 1 1 A 129 129 ARG H H 129 6.254 8.676 -2.422 1 1 1430 . 7 1 1 A 129 129 ARG HA H 129 4.700 4.791 -0.091 1 1 1436 . 7 1 1 A 129 129 ARG C C 129 176.534 175.142 1.392 1 1 1437 . 7 1 1 A 129 129 ARG CA C 129 55.651 55.653 -0.002 1 1 1438 . 7 1 1 A 129 129 ARG CB C 129 29.775 30.839 -1.064 1 1 1441 . 7 1 1 A 129 129 ARG N N 129 120.393 122.503 -2.110 1 1 1442 . 7 1 1 A 130 130 SER H H 130 8.398 8.507 -0.109 1 1 1443 . 7 1 1 A 130 130 SER HA H 130 4.767 5.192 -0.425 1 1 1446 . 7 1 1 A 130 130 SER C C 130 172.957 172.650 0.307 1 1 1447 . 7 1 1 A 130 130 SER CA C 130 57.658 57.457 0.201 1 1 1448 . 7 1 1 A 130 130 SER CB C 130 63.679 66.577 -2.898 1 1 1449 . 7 1 1 A 130 130 SER N N 130 120.264 122.016 -1.752 1 1 1450 . 7 1 1 A 131 131 VAL H H 131 7.838 8.033 -0.195 1 1 1451 . 7 1 1 A 131 131 VAL HA H 131 5.086 4.816 0.270 1 1 1459 . 7 1 1 A 131 131 VAL C C 131 172.853 172.836 0.017 1 1 1460 . 7 1 1 A 131 131 VAL CA C 131 60.746 59.962 0.784 1 1 1461 . 7 1 1 A 131 131 VAL CB C 131 36.610 35.308 1.302 1 1 1464 . 7 1 1 A 131 131 VAL N N 131 118.460 120.215 -1.755 1 1 1465 . 7 1 1 A 132 132 PHE H H 132 9.259 9.492 -0.233 1 1 1466 . 7 1 1 A 132 132 PHE HA H 132 5.583 5.562 0.021 1 1 1470 . 7 1 1 A 132 132 PHE C C 132 174.797 174.941 -0.144 1 1 1471 . 7 1 1 A 132 132 PHE CA C 132 56.296 56.216 0.080 1 1 1472 . 7 1 1 A 132 132 PHE CB C 132 44.539 43.934 0.605 1 1 1473 . 7 1 1 A 132 132 PHE N N 132 121.682 124.982 -3.300 1 1 1474 . 7 1 1 A 133 133 VAL H H 133 8.907 8.655 0.252 1 1 1475 . 7 1 1 A 133 133 VAL HA H 133 5.331 5.073 0.258 1 1 1483 . 7 1 1 A 133 133 VAL C C 133 174.450 175.075 -0.625 1 1 1484 . 7 1 1 A 133 133 VAL CA C 133 61.491 60.515 0.976 1 1 1485 . 7 1 1 A 133 133 VAL CB C 133 34.696 35.978 -1.282 1 1 1488 . 7 1 1 A 133 133 VAL N N 133 119.878 120.263 -0.385 1 1 1489 . 7 1 1 A 134 134 LEU H H 134 9.976 9.220 0.756 1 1 1490 . 7 1 1 A 134 134 LEU HA H 134 5.680 5.189 0.491 1 1 1500 . 7 1 1 A 134 134 LEU C C 134 176.777 175.193 1.584 1 1 1501 . 7 1 1 A 134 134 LEU CA C 134 52.195 53.491 -1.296 1 1 1502 . 7 1 1 A 134 134 LEU CB C 134 44.813 46.237 -1.424 1 1 1506 . 7 1 1 A 134 134 LEU N N 134 129.417 126.381 3.036 1 1 1507 . 7 1 1 A 135 135 ASP H H 135 9.051 9.186 -0.135 1 1 1508 . 7 1 1 A 135 135 ASP HA H 135 4.708 4.728 -0.020 1 1 1511 . 7 1 1 A 135 135 ASP C C 135 177.193 177.329 -0.136 1 1 1512 . 7 1 1 A 135 135 ASP CA C 135 52.276 53.728 -1.452 1 1 1513 . 7 1 1 A 135 135 ASP CB C 135 40.711 42.156 -1.445 1 1 1514 . 7 1 1 A 135 135 ASP N N 135 119.362 124.718 -5.356 1 1 1515 . 7 1 1 A 136 136 GLU H H 136 9.970 8.923 1.047 1 1 1516 . 7 1 1 A 136 136 GLU HA H 136 3.953 4.035 -0.082 1 1 1521 . 7 1 1 A 136 136 GLU C C 136 177.055 178.188 -1.133 1 1 1522 . 7 1 1 A 136 136 GLU CA C 136 58.757 59.328 -0.571 1 1 1523 . 7 1 1 A 136 136 GLU CB C 136 28.681 29.241 -0.560 1 1 1525 . 7 1 1 A 136 136 GLU N N 136 116.011 124.029 -8.018 1 1 1526 . 7 1 1 A 137 137 ASN H H 137 8.514 8.310 0.204 1 1 1527 . 7 1 1 A 137 137 ASN HA H 137 5.026 4.792 0.234 1 1 1532 . 7 1 1 A 137 137 ASN C C 137 175.943 175.723 0.220 1 1 1533 . 7 1 1 A 137 137 ASN CA C 137 52.753 53.278 -0.525 1 1 1534 . 7 1 1 A 137 137 ASN CB C 137 40.164 38.812 1.352 1 1 1535 . 7 1 1 A 137 137 ASN N N 137 117.042 116.038 1.004 1 1 1537 . 7 1 1 A 138 138 GLY H H 138 8.430 8.285 0.145 1 1 1538 . 7 1 1 A 138 138 GLY HA2 H 138 3.690 4.013 -0.323 1 1 1539 . 7 1 1 A 138 138 GLY HA3 H 138 4.213 4.043 0.170 1 1 1540 . 7 1 1 A 138 138 GLY C C 138 172.436 174.614 -2.178 1 1 1541 . 7 1 1 A 138 138 GLY CA C 138 46.180 46.369 -0.189 1 1 1542 . 7 1 1 A 138 138 GLY N N 138 109.565 109.140 0.425 1 1 1543 . 7 1 1 A 139 139 LYS H H 139 8.573 7.804 0.769 1 1 1544 . 7 1 1 A 139 139 LYS HA H 139 4.472 4.761 -0.289 1 1 1553 . 7 1 1 A 139 139 LYS C C 139 176.742 175.706 1.036 1 1 1554 . 7 1 1 A 139 139 LYS CA C 139 56.195 54.865 1.330 1 1 1555 . 7 1 1 A 139 139 LYS CB C 139 32.782 34.246 -1.464 1 1 1559 . 7 1 1 A 139 139 LYS N N 139 123.358 120.905 2.453 1 1 1560 . 7 1 1 A 140 140 VAL H H 140 9.102 8.713 0.389 1 1 1561 . 7 1 1 A 140 140 VAL HA H 140 4.293 4.584 -0.291 1 1 1569 . 7 1 1 A 140 140 VAL C C 140 177.124 176.605 0.519 1 1 1570 . 7 1 1 A 140 140 VAL CA C 140 63.952 62.434 1.518 1 1 1571 . 7 1 1 A 140 140 VAL CB C 140 31.142 32.392 -1.250 1 1 1574 . 7 1 1 A 140 140 VAL N N 140 125.292 124.661 0.631 1 1 1575 . 7 1 1 A 141 141 VAL H H 141 9.332 9.435 -0.103 1 1 1576 . 7 1 1 A 141 141 VAL HA H 141 4.670 4.514 0.156 1 1 1584 . 7 1 1 A 141 141 VAL C C 141 175.249 175.404 -0.155 1 1 1585 . 7 1 1 A 141 141 VAL CA C 141 61.491 62.177 -0.686 1 1 1586 . 7 1 1 A 141 141 VAL CB C 141 32.509 33.105 -0.596 1 1 1589 . 7 1 1 A 141 141 VAL N N 141 124.261 122.343 1.918 1 1 1590 . 7 1 1 A 142 142 TYR H H 142 7.959 7.521 0.438 1 1 1591 . 7 1 1 A 142 142 TYR HA H 142 4.389 4.844 -0.455 1 1 1596 . 7 1 1 A 142 142 TYR C C 142 172.262 173.436 -1.174 1 1 1597 . 7 1 1 A 142 142 TYR CA C 142 58.757 57.943 0.814 1 1 1598 . 7 1 1 A 142 142 TYR CB C 142 41.805 41.783 0.022 1 1 1599 . 7 1 1 A 142 142 TYR N N 142 122.198 123.092 -0.894 1 1 1600 . 7 1 1 A 143 143 ALA H H 143 7.642 7.927 -0.285 1 1 1601 . 7 1 1 A 143 143 ALA HA H 143 4.883 5.054 -0.171 1 1 1605 . 7 1 1 A 143 143 ALA C C 143 175.353 175.189 0.164 1 1 1606 . 7 1 1 A 143 143 ALA CA C 143 51.703 51.428 0.275 1 1 1607 . 7 1 1 A 143 143 ALA CB C 143 22.666 22.729 -0.063 1 1 1608 . 7 1 1 A 143 143 ALA N N 143 129.804 129.271 0.533 1 1 1609 . 7 1 1 A 144 144 GLU H H 144 8.292 8.184 0.108 1 1 1610 . 7 1 1 A 144 144 GLU HA H 144 4.297 4.823 -0.526 1 1 1615 . 7 1 1 A 144 144 GLU C C 144 173.860 173.949 -0.089 1 1 1616 . 7 1 1 A 144 144 GLU CA C 144 56.296 55.312 0.984 1 1 1617 . 7 1 1 A 144 144 GLU CB C 144 32.509 33.783 -1.274 1 1 1619 . 7 1 1 A 144 144 GLU N N 144 122.198 121.487 0.711 1 1 1620 . 7 1 1 A 145 145 TYR H H 145 9.006 8.976 0.030 1 1 1621 . 7 1 1 A 145 145 TYR HA H 145 4.125 5.092 -0.967 1 1 1626 . 7 1 1 A 145 145 TYR C C 145 175.164 175.012 0.152 1 1 1627 . 7 1 1 A 145 145 TYR CA C 145 57.117 56.679 0.438 1 1 1628 . 7 1 1 A 145 145 TYR CB C 145 38.251 40.221 -1.970 1 1 1629 . 7 1 1 A 145 145 TYR N N 145 128.128 124.111 4.017 1 1 1630 . 7 1 1 A 146 146 VAL H H 146 7.441 8.854 -1.413 1 1 1631 . 7 1 1 A 146 146 VAL HA H 146 3.672 4.049 -0.377 1 1 1639 . 7 1 1 A 146 146 VAL C C 146 176.777 176.754 0.023 1 1 1640 . 7 1 1 A 146 146 VAL CA C 146 64.226 63.657 0.569 1 1 1641 . 7 1 1 A 146 146 VAL CB C 146 30.868 32.081 -1.213 1 1 1644 . 7 1 1 A 146 146 VAL N N 146 125.808 126.340 -0.532 1 1 1645 . 7 1 1 A 147 147 SER H H 147 8.359 8.607 -0.248 1 1 1646 . 7 1 1 A 147 147 SER HA H 147 4.007 4.421 -0.414 1 1 1649 . 7 1 1 A 147 147 SER C C 147 172.123 174.546 -2.423 1 1 1650 . 7 1 1 A 147 147 SER CA C 147 63.132 60.433 2.699 1 1 1651 . 7 1 1 A 147 147 SER CB C 147 62.859 63.335 -0.476 1 1 1652 . 7 1 1 A 147 147 SER N N 147 121.425 120.602 0.823 1 1 1653 . 7 1 1 A 148 148 GLU H H 148 7.177 7.886 -0.709 1 1 1654 . 7 1 1 A 148 148 GLU HA H 148 5.055 4.886 0.169 1 1 1659 . 7 1 1 A 148 148 GLU C C 148 176.082 176.509 -0.427 1 1 1660 . 7 1 1 A 148 148 GLU CA C 148 52.563 55.448 -2.885 1 1 1661 . 7 1 1 A 148 148 GLU CB C 148 29.774 32.021 -2.247 1 1 1663 . 7 1 1 A 148 148 GLU N N 148 119.620 120.684 -1.064 1 1 1664 . 7 1 1 A 149 149 ALA H H 149 9.142 9.400 -0.258 1 1 1665 . 7 1 1 A 149 149 ALA HA H 149 4.704 4.014 0.690 1 1 1669 . 7 1 1 A 149 149 ALA C C 149 177.437 178.294 -0.857 1 1 1670 . 7 1 1 A 149 149 ALA CA C 149 54.466 55.145 -0.679 1 1 1671 . 7 1 1 A 149 149 ALA CB C 149 19.111 18.463 0.648 1 1 1672 . 7 1 1 A 149 149 ALA N N 149 127.741 129.762 -2.021 1 1 1673 . 7 1 1 A 150 150 THR H H 150 8.200 7.588 0.612 1 1 1674 . 7 1 1 A 150 150 THR HA H 150 4.393 4.363 0.030 1 1 1679 . 7 1 1 A 150 150 THR C C 150 174.554 173.388 1.166 1 1 1680 . 7 1 1 A 150 150 THR CA C 150 62.312 61.797 0.515 1 1 1681 . 7 1 1 A 150 150 THR CB C 150 69.694 69.153 0.541 1 1 1683 . 7 1 1 A 150 150 THR N N 150 104.453 105.384 -0.931 1 1 1684 . 7 1 1 A 151 151 ASN H H 151 7.984 7.475 0.509 1 1 1685 . 7 1 1 A 151 151 ASN HA H 151 4.947 5.161 -0.214 1 1 1690 . 7 1 1 A 151 151 ASN C C 151 174.554 174.019 0.535 1 1 1691 . 7 1 1 A 151 151 ASN CA C 151 51.135 51.450 -0.315 1 1 1692 . 7 1 1 A 151 151 ASN CB C 151 39.344 42.472 -3.128 1 1 1693 . 7 1 1 A 151 151 ASN N N 151 123.487 121.019 2.468 1 1 1695 . 7 1 1 A 152 152 HIS H H 152 8.160 8.808 -0.648 1 1 1696 . 7 1 1 A 152 152 HIS HA H 152 4.731 5.594 -0.863 1 1 1700 . 7 1 1 A 152 152 HIS C C 152 174.381 173.355 1.026 1 1 1701 . 7 1 1 A 152 152 HIS CA C 152 54.854 53.227 1.627 1 1 1702 . 7 1 1 A 152 152 HIS CB C 152 31.415 33.223 -1.808 1 1 1703 . 7 1 1 A 152 152 HIS N N 152 116.139 116.488 -0.349 1 1 1704 . 7 1 1 A 153 153 PRO HA H 153 4.335 4.506 -0.171 1 1 1709 . 7 1 1 A 153 153 PRO C C 153 173.894 176.268 -2.374 1 1 1710 . 7 1 1 A 153 153 PRO CA C 153 61.491 62.131 -0.640 1 1 1711 . 7 1 1 A 153 153 PRO CB C 153 32.782 32.927 -0.145 1 1 1714 . 7 1 1 A 154 154 ASN H H 154 9.511 8.573 0.938 1 1 1715 . 7 1 1 A 154 154 ASN HA H 154 4.306 4.782 -0.476 1 1 1720 . 7 1 1 A 154 154 ASN C C 154 176.568 175.862 0.706 1 1 1721 . 7 1 1 A 154 154 ASN CA C 154 54.656 52.563 2.093 1 1 1722 . 7 1 1 A 154 154 ASN CB C 154 39.071 38.406 0.665 1 1 1723 . 7 1 1 A 154 154 ASN N N 154 118.718 119.627 -0.909 1 1 1725 . 7 1 1 A 155 155 TYR H H 155 8.691 7.944 0.747 1 1 1726 . 7 1 1 A 155 155 TYR HA H 155 4.364 4.261 0.103 1 1 1731 . 7 1 1 A 155 155 TYR C C 155 176.256 176.818 -0.562 1 1 1732 . 7 1 1 A 155 155 TYR CA C 155 59.304 58.730 0.574 1 1 1733 . 7 1 1 A 155 155 TYR CB C 155 39.344 37.944 1.400 1 1 1734 . 7 1 1 A 155 155 TYR N N 155 125.421 125.723 -0.302 1 1 1735 . 7 1 1 A 156 156 GLU H H 156 8.200 7.967 0.233 1 1 1736 . 7 1 1 A 156 156 GLU HA H 156 4.415 4.232 0.183 1 1 1741 . 7 1 1 A 156 156 GLU C C 156 178.583 179.093 -0.510 1 1 1742 . 7 1 1 A 156 156 GLU CA C 156 58.757 58.941 -0.184 1 1 1743 . 7 1 1 A 156 156 GLU CB C 156 30.868 29.020 1.848 1 1 1745 . 7 1 1 A 156 156 GLU N N 156 119.878 122.431 -2.553 1 1 1746 . 7 1 1 A 157 157 LYS H H 157 8.718 7.545 1.173 1 1 1747 . 7 1 1 A 157 157 LYS HA H 157 4.095 4.046 0.049 1 1 1756 . 7 1 1 A 157 157 LYS C C 157 176.152 175.429 0.723 1 1 1757 . 7 1 1 A 157 157 LYS CA C 157 60.398 61.365 -0.967 1 1 1758 . 7 1 1 A 157 157 LYS CB C 157 30.595 30.550 0.045 1 1 1762 . 7 1 1 A 157 157 LYS N N 157 121.167 120.148 1.019 1 1 1763 . 7 1 1 A 158 158 PRO HA H 158 3.116 3.869 -0.753 1 1 1770 . 7 1 1 A 158 158 PRO C C 158 177.853 179.448 -1.595 1 1 1771 . 7 1 1 A 158 158 PRO CA C 158 65.319 64.908 0.411 1 1 1772 . 7 1 1 A 158 158 PRO CB C 158 30.595 30.517 0.078 1 1 1775 . 7 1 1 A 159 159 ILE H H 159 6.215 7.144 -0.929 1 1 1776 . 7 1 1 A 159 159 ILE HA H 159 3.594 3.859 -0.265 1 1 1786 . 7 1 1 A 159 159 ILE C C 159 177.610 177.756 -0.146 1 1 1787 . 7 1 1 A 159 159 ILE CA C 159 62.312 64.344 -2.032 1 1 1788 . 7 1 1 A 159 159 ILE CB C 159 35.516 37.910 -2.394 1 1 1792 . 7 1 1 A 159 159 ILE N N 159 113.948 116.517 -2.569 1 1 1793 . 7 1 1 A 160 160 GLU H H 160 7.572 8.568 -0.996 1 1 1794 . 7 1 1 A 160 160 GLU HA H 160 3.876 4.033 -0.157 1 1 1799 . 7 1 1 A 160 160 GLU C C 160 179.277 179.455 -0.178 1 1 1800 . 7 1 1 A 160 160 GLU CA C 160 59.304 59.790 -0.486 1 1 1801 . 7 1 1 A 160 160 GLU CB C 160 29.774 29.100 0.674 1 1 1803 . 7 1 1 A 160 160 GLU N N 160 119.104 120.498 -1.394 1 1 1804 . 7 1 1 A 161 161 ALA H H 161 7.902 8.008 -0.106 1 1 1805 . 7 1 1 A 161 161 ALA HA H 161 4.137 4.214 -0.077 1 1 1809 . 7 1 1 A 161 161 ALA C C 161 179.485 180.225 -0.740 1 1 1810 . 7 1 1 A 161 161 ALA CA C 161 54.656 55.084 -0.428 1 1 1811 . 7 1 1 A 161 161 ALA CB C 161 18.017 17.981 0.036 1 1 1812 . 7 1 1 A 161 161 ALA N N 161 120.393 123.269 -2.876 1 1 1813 . 7 1 1 A 162 162 ALA H H 162 7.734 7.972 -0.238 1 1 1814 . 7 1 1 A 162 162 ALA HA H 162 3.950 4.103 -0.153 1 1 1818 . 7 1 1 A 162 162 ALA C C 162 179.485 179.647 -0.162 1 1 1819 . 7 1 1 A 162 162 ALA CA C 162 54.656 55.160 -0.504 1 1 1820 . 7 1 1 A 162 162 ALA CB C 162 19.111 18.036 1.075 1 1 1821 . 7 1 1 A 162 162 ALA N N 162 118.202 121.061 -2.859 1 1 1822 . 7 1 1 A 163 163 LYS H H 163 8.760 8.392 0.368 1 1 1823 . 7 1 1 A 163 163 LYS HA H 163 3.842 4.021 -0.179 1 1 1832 . 7 1 1 A 163 163 LYS C C 163 178.201 179.494 -1.293 1 1 1833 . 7 1 1 A 163 163 LYS CA C 163 59.578 59.319 0.259 1 1 1834 . 7 1 1 A 163 163 LYS CB C 163 32.782 32.072 0.710 1 1 1838 . 7 1 1 A 163 163 LYS N N 163 118.202 116.837 1.365 1 1 1839 . 7 1 1 A 164 164 ALA H H 164 7.216 8.276 -1.060 1 1 1840 . 7 1 1 A 164 164 ALA HA H 164 4.215 4.110 0.105 1 1 1844 . 7 1 1 A 164 164 ALA C C 164 178.339 180.353 -2.014 1 1 1845 . 7 1 1 A 164 164 ALA CA C 164 53.836 54.910 -1.074 1 1 1846 . 7 1 1 A 164 164 ALA CB C 164 18.291 18.351 -0.060 1 1 1847 . 7 1 1 A 164 164 ALA N N 164 117.557 121.931 -4.374 1 1 1848 . 7 1 1 A 165 165 LEU H H 165 7.503 7.895 -0.392 1 1 1849 . 7 1 1 A 165 165 LEU HA H 165 4.432 4.048 0.384 1 1 1859 . 7 1 1 A 165 165 LEU C C 165 177.714 179.078 -1.364 1 1 1860 . 7 1 1 A 165 165 LEU CA C 165 54.929 57.838 -2.909 1 1 1861 . 7 1 1 A 165 165 LEU CB C 165 44.256 41.944 2.312 1 1 1865 . 7 1 1 A 165 165 LEU N N 165 115.753 120.129 -4.376 1 1 1866 . 7 1 1 A 166 166 VAL H H 166 7.337 8.267 -0.930 1 1 1867 . 7 1 1 A 166 166 VAL HA H 166 4.103 3.575 0.528 1 1 1875 . 7 1 1 A 166 166 VAL C C 166 175.040 176.242 -1.202 1 1 1876 . 7 1 1 A 166 166 VAL CA C 166 62.859 66.928 -4.069 1 1 1877 . 7 1 1 A 166 166 VAL CB C 166 32.509 31.741 0.768 1 1 1880 . 7 1 1 A 166 166 VAL N N 166 118.589 117.617 0.972 1 1 1 . 8 1 1 A 2 2 ALA HA H 2 3.876 4.690 -0.814 1 1 5 . 8 1 1 A 2 2 ALA C C 2 172.590 176.918 -4.328 1 1 6 . 8 1 1 A 2 2 ALA CA C 2 51.922 50.623 1.299 1 1 7 . 8 1 1 A 2 2 ALA CB C 2 18.924 19.385 -0.461 1 1 8 . 8 1 1 A 3 3 GLU H H 3 8.262 7.533 0.729 1 1 9 . 8 1 1 A 3 3 GLU HA H 3 4.641 4.210 0.431 1 1 14 . 8 1 1 A 3 3 GLU C C 3 175.157 175.928 -0.771 1 1 15 . 8 1 1 A 3 3 GLU CA C 3 55.476 56.286 -0.810 1 1 16 . 8 1 1 A 3 3 GLU CB C 3 31.142 30.647 0.495 1 1 18 . 8 1 1 A 3 3 GLU N N 3 121.167 119.344 1.823 1 1 19 . 8 1 1 A 4 4 ILE H H 4 9.053 8.085 0.968 1 1 20 . 8 1 1 A 4 4 ILE HA H 4 5.361 5.113 0.248 1 1 30 . 8 1 1 A 4 4 ILE C C 4 175.817 174.709 1.108 1 1 31 . 8 1 1 A 4 4 ILE CA C 4 59.304 59.054 0.250 1 1 32 . 8 1 1 A 4 4 ILE CB C 4 42.079 42.191 -0.112 1 1 36 . 8 1 1 A 4 4 ILE N N 4 124.776 120.201 4.575 1 1 37 . 8 1 1 A 5 5 THR H H 5 8.977 8.329 0.648 1 1 38 . 8 1 1 A 5 5 THR HA H 5 5.141 5.199 -0.058 1 1 43 . 8 1 1 A 5 5 THR C C 5 173.483 173.971 -0.488 1 1 44 . 8 1 1 A 5 5 THR CA C 5 59.304 61.737 -2.433 1 1 45 . 8 1 1 A 5 5 THR CB C 5 73.249 71.102 2.147 1 1 47 . 8 1 1 A 5 5 THR N N 5 112.659 116.432 -3.773 1 1 48 . 8 1 1 A 6 6 PHE H H 6 9.173 9.316 -0.143 1 1 49 . 8 1 1 A 6 6 PHE HA H 6 4.866 4.646 0.220 1 1 53 . 8 1 1 A 6 6 PHE C C 6 175.591 174.879 0.712 1 1 54 . 8 1 1 A 6 6 PHE CA C 6 58.054 56.925 1.129 1 1 55 . 8 1 1 A 6 6 PHE CB C 6 42.625 39.771 2.854 1 1 56 . 8 1 1 A 6 6 PHE N N 6 119.362 127.076 -7.714 1 1 57 . 8 1 1 A 7 7 LYS H H 7 11.130 8.002 3.128 1 1 58 . 8 1 1 A 7 7 LYS HA H 7 3.567 4.046 -0.479 1 1 67 . 8 1 1 A 7 7 LYS C C 7 177.661 176.541 1.120 1 1 68 . 8 1 1 A 7 7 LYS CA C 7 57.390 55.687 1.703 1 1 69 . 8 1 1 A 7 7 LYS CB C 7 29.222 30.418 -1.196 1 1 73 . 8 1 1 A 7 7 LYS N N 7 134.058 121.738 12.320 1 1 74 . 8 1 1 A 8 8 GLY H H 8 8.965 8.315 0.650 1 1 75 . 8 1 1 A 8 8 GLY HA2 H 8 4.244 3.911 0.333 1 1 76 . 8 1 1 A 8 8 GLY HA3 H 8 3.528 3.918 -0.390 1 1 77 . 8 1 1 A 8 8 GLY C C 8 173.822 174.054 -0.232 1 1 78 . 8 1 1 A 8 8 GLY CA C 8 45.360 45.760 -0.400 1 1 79 . 8 1 1 A 8 8 GLY N N 8 104.280 105.773 -1.493 1 1 80 . 8 1 1 A 9 9 GLY H H 9 7.942 7.939 0.003 1 1 81 . 8 1 1 A 9 9 GLY HA2 H 9 4.815 4.255 0.560 1 1 82 . 8 1 1 A 9 9 GLY HA3 H 9 3.715 4.277 -0.562 1 1 83 . 8 1 1 A 9 9 GLY C C 9 171.262 172.039 -0.777 1 1 84 . 8 1 1 A 9 9 GLY CA C 9 43.172 44.775 -1.603 1 1 85 . 8 1 1 A 9 9 GLY N N 9 109.823 107.795 2.028 1 1 86 . 8 1 1 A 10 10 PRO HA H 10 4.640 4.811 -0.171 1 1 93 . 8 1 1 A 10 10 PRO C C 10 177.097 176.323 0.774 1 1 94 . 8 1 1 A 10 10 PRO CA C 10 63.952 62.912 1.040 1 1 95 . 8 1 1 A 10 10 PRO CB C 10 32.509 32.580 -0.071 1 1 98 . 8 1 1 A 11 11 VAL H H 11 7.770 8.500 -0.730 1 1 99 . 8 1 1 A 11 11 VAL HA H 11 4.632 4.898 -0.266 1 1 107 . 8 1 1 A 11 11 VAL C C 11 174.462 174.805 -0.343 1 1 108 . 8 1 1 A 11 11 VAL CA C 11 59.304 59.604 -0.300 1 1 109 . 8 1 1 A 11 11 VAL CB C 11 35.516 35.187 0.329 1 1 112 . 8 1 1 A 11 11 VAL N N 11 115.495 116.240 -0.745 1 1 113 . 8 1 1 A 12 12 THR H H 12 10.773 8.687 2.086 1 1 114 . 8 1 1 A 12 12 THR HA H 12 4.425 4.499 -0.074 1 1 119 . 8 1 1 A 12 12 THR C C 12 173.505 174.242 -0.737 1 1 120 . 8 1 1 A 12 12 THR CA C 12 62.312 62.738 -0.426 1 1 121 . 8 1 1 A 12 12 THR CB C 12 69.694 69.697 -0.003 1 1 123 . 8 1 1 A 12 12 THR N N 12 121.940 121.815 0.125 1 1 124 . 8 1 1 A 13 13 LEU H H 13 8.524 8.542 -0.018 1 1 125 . 8 1 1 A 13 13 LEU HA H 13 5.132 5.069 0.063 1 1 135 . 8 1 1 A 13 13 LEU C C 13 177.285 177.436 -0.151 1 1 136 . 8 1 1 A 13 13 LEU CA C 13 53.289 53.334 -0.045 1 1 137 . 8 1 1 A 13 13 LEU CB C 13 42.352 44.950 -2.598 1 1 141 . 8 1 1 A 13 13 LEU N N 13 125.550 123.940 1.610 1 1 142 . 8 1 1 A 14 14 VAL H H 14 8.962 8.508 0.454 1 1 143 . 8 1 1 A 14 14 VAL HA H 14 3.859 3.892 -0.033 1 1 151 . 8 1 1 A 14 14 VAL C C 14 174.604 176.849 -2.245 1 1 152 . 8 1 1 A 14 14 VAL CA C 14 62.312 64.486 -2.174 1 1 153 . 8 1 1 A 14 14 VAL CB C 14 32.509 31.879 0.630 1 1 156 . 8 1 1 A 14 14 VAL N N 14 126.968 121.137 5.831 1 1 157 . 8 1 1 A 15 15 GLY H H 15 7.838 7.230 0.608 1 1 158 . 8 1 1 A 15 15 GLY HA2 H 15 5.132 4.074 1.058 1 1 159 . 8 1 1 A 15 15 GLY HA3 H 15 3.730 4.091 -0.361 1 1 160 . 8 1 1 A 15 15 GLY C C 15 174.542 173.920 0.622 1 1 161 . 8 1 1 A 15 15 GLY CA C 15 43.446 45.665 -2.219 1 1 162 . 8 1 1 A 15 15 GLY N N 15 110.596 108.196 2.400 1 1 163 . 8 1 1 A 16 16 GLN H H 16 8.247 7.602 0.645 1 1 164 . 8 1 1 A 16 16 GLN HA H 16 4.347 4.020 0.327 1 1 171 . 8 1 1 A 16 16 GLN C C 16 174.876 175.755 -0.879 1 1 172 . 8 1 1 A 16 16 GLN CA C 16 54.656 56.167 -1.511 1 1 173 . 8 1 1 A 16 16 GLN CB C 16 30.321 28.874 1.447 1 1 175 . 8 1 1 A 16 16 GLN N N 16 120.522 118.633 1.889 1 1 177 . 8 1 1 A 17 17 GLU H H 17 8.149 8.515 -0.366 1 1 178 . 8 1 1 A 17 17 GLU HA H 17 3.938 4.082 -0.144 1 1 183 . 8 1 1 A 17 17 GLU C C 17 176.607 176.432 0.175 1 1 184 . 8 1 1 A 17 17 GLU CA C 17 57.117 57.759 -0.642 1 1 185 . 8 1 1 A 17 17 GLU CB C 17 30.321 29.048 1.273 1 1 187 . 8 1 1 A 17 17 GLU N N 17 123.616 120.506 3.110 1 1 188 . 8 1 1 A 18 18 VAL H H 18 8.605 8.056 0.549 1 1 189 . 8 1 1 A 18 18 VAL HA H 18 4.047 4.154 -0.107 1 1 197 . 8 1 1 A 18 18 VAL C C 18 174.386 175.481 -1.095 1 1 198 . 8 1 1 A 18 18 VAL CA C 18 61.765 61.969 -0.204 1 1 199 . 8 1 1 A 18 18 VAL CB C 18 32.782 32.941 -0.159 1 1 202 . 8 1 1 A 18 18 VAL N N 18 125.936 117.764 8.172 1 1 203 . 8 1 1 A 19 19 LYS H H 19 8.461 8.884 -0.423 1 1 204 . 8 1 1 A 19 19 LYS HA H 19 4.624 4.927 -0.303 1 1 213 . 8 1 1 A 19 19 LYS C C 19 176.457 174.683 1.774 1 1 214 . 8 1 1 A 19 19 LYS CA C 19 53.562 54.392 -0.830 1 1 215 . 8 1 1 A 19 19 LYS CB C 19 34.423 35.793 -1.370 1 1 219 . 8 1 1 A 19 19 LYS N N 19 123.874 120.939 2.935 1 1 220 . 8 1 1 A 20 20 VAL H H 20 8.349 8.465 -0.116 1 1 221 . 8 1 1 A 20 20 VAL HA H 20 3.421 4.022 -0.601 1 1 229 . 8 1 1 A 20 20 VAL C C 20 177.624 176.961 0.663 1 1 230 . 8 1 1 A 20 20 VAL CA C 20 65.593 63.561 2.032 1 1 231 . 8 1 1 A 20 20 VAL CB C 20 31.415 31.524 -0.109 1 1 234 . 8 1 1 A 20 20 VAL N N 20 120.393 122.098 -1.705 1 1 235 . 8 1 1 A 21 21 GLY H H 21 9.338 9.363 -0.025 1 1 236 . 8 1 1 A 21 21 GLY HA2 H 21 4.566 4.053 0.513 1 1 237 . 8 1 1 A 21 21 GLY HA3 H 21 3.536 4.059 -0.523 1 1 238 . 8 1 1 A 21 21 GLY C C 21 174.160 174.491 -0.331 1 1 239 . 8 1 1 A 21 21 GLY CA C 21 44.539 45.442 -0.903 1 1 240 . 8 1 1 A 21 21 GLY N N 21 117.429 117.776 -0.347 1 1 241 . 8 1 1 A 22 22 ASP H H 22 8.222 8.110 0.112 1 1 242 . 8 1 1 A 22 22 ASP HA H 22 4.650 4.542 0.108 1 1 245 . 8 1 1 A 22 22 ASP C C 22 176.231 175.784 0.447 1 1 246 . 8 1 1 A 22 22 ASP CA C 22 54.382 55.135 -0.753 1 1 247 . 8 1 1 A 22 22 ASP CB C 22 40.985 41.420 -0.435 1 1 248 . 8 1 1 A 22 22 ASP N N 22 121.811 121.505 0.306 1 1 249 . 8 1 1 A 23 23 GLN H H 23 8.598 8.013 0.585 1 1 250 . 8 1 1 A 23 23 GLN HA H 23 4.224 4.319 -0.095 1 1 257 . 8 1 1 A 23 23 GLN C C 23 175.892 174.456 1.436 1 1 258 . 8 1 1 A 23 23 GLN CA C 23 55.203 58.227 -3.024 1 1 259 . 8 1 1 A 23 23 GLN CB C 23 28.954 27.770 1.184 1 1 261 . 8 1 1 A 23 23 GLN N N 23 119.491 117.120 2.371 1 1 263 . 8 1 1 A 24 24 ALA H H 24 8.664 8.366 0.298 1 1 264 . 8 1 1 A 24 24 ALA HA H 24 4.030 4.530 -0.500 1 1 268 . 8 1 1 A 24 24 ALA C C 24 174.386 176.562 -2.176 1 1 269 . 8 1 1 A 24 24 ALA CA C 24 51.101 49.175 1.926 1 1 270 . 8 1 1 A 24 24 ALA CB C 24 19.111 21.775 -2.664 1 1 271 . 8 1 1 A 24 24 ALA N N 24 129.804 122.966 6.838 1 1 272 . 8 1 1 A 25 25 PRO HA H 25 4.422 4.430 -0.008 1 1 279 . 8 1 1 A 25 25 PRO C C 25 173.596 176.883 -3.287 1 1 280 . 8 1 1 A 25 25 PRO CA C 25 61.765 64.514 -2.749 1 1 281 . 8 1 1 A 25 25 PRO CB C 25 32.509 32.089 0.420 1 1 284 . 8 1 1 A 26 26 ASP H H 26 7.546 8.165 -0.619 1 1 285 . 8 1 1 A 26 26 ASP HA H 26 4.411 4.550 -0.139 1 1 288 . 8 1 1 A 26 26 ASP C C 26 175.591 174.001 1.590 1 1 289 . 8 1 1 A 26 26 ASP CA C 26 54.656 54.167 0.489 1 1 290 . 8 1 1 A 26 26 ASP CB C 26 42.625 43.663 -1.038 1 1 291 . 8 1 1 A 26 26 ASP N N 26 114.979 115.228 -0.249 1 1 292 . 8 1 1 A 27 27 PHE H H 27 7.379 8.413 -1.034 1 1 293 . 8 1 1 A 27 27 PHE HA H 27 4.659 5.621 -0.962 1 1 295 . 8 1 1 A 27 27 PHE C C 27 173.407 173.142 0.265 1 1 296 . 8 1 1 A 27 27 PHE CA C 27 56.570 55.592 0.978 1 1 297 . 8 1 1 A 27 27 PHE CB C 27 39.891 42.310 -2.419 1 1 298 . 8 1 1 A 27 27 PHE N N 27 113.561 120.553 -6.992 1 1 299 . 8 1 1 A 28 28 THR H H 28 8.540 8.764 -0.224 1 1 300 . 8 1 1 A 28 28 THR HA H 28 4.936 5.529 -0.593 1 1 305 . 8 1 1 A 28 28 THR C C 28 173.443 174.068 -0.625 1 1 306 . 8 1 1 A 28 28 THR CA C 28 62.889 61.554 1.335 1 1 307 . 8 1 1 A 28 28 THR CB C 28 72.155 71.594 0.561 1 1 309 . 8 1 1 A 28 28 THR N N 28 114.593 114.726 -0.133 1 1 310 . 8 1 1 A 29 29 VAL H H 29 9.120 9.281 -0.161 1 1 311 . 8 1 1 A 29 29 VAL HA H 29 4.863 4.964 -0.101 1 1 319 . 8 1 1 A 29 29 VAL C C 29 173.558 174.502 -0.944 1 1 320 . 8 1 1 A 29 29 VAL CA C 29 59.527 59.395 0.132 1 1 321 . 8 1 1 A 29 29 VAL CB C 29 35.243 35.940 -0.697 1 1 324 . 8 1 1 A 29 29 VAL N N 29 119.233 119.407 -0.174 1 1 325 . 8 1 1 A 30 30 LEU H H 30 8.565 8.536 0.029 1 1 326 . 8 1 1 A 30 30 LEU HA H 30 5.615 4.498 1.117 1 1 336 . 8 1 1 A 30 30 LEU C C 30 180.310 176.049 4.261 1 1 337 . 8 1 1 A 30 30 LEU CA C 30 53.562 54.430 -0.868 1 1 338 . 8 1 1 A 30 30 LEU CB C 30 47.547 42.477 5.070 1 1 342 . 8 1 1 A 30 30 LEU N N 30 117.429 125.494 -8.065 1 1 343 . 8 1 1 A 31 31 THR H H 31 9.587 8.412 1.175 1 1 344 . 8 1 1 A 31 31 THR HA H 31 4.741 5.002 -0.261 1 1 349 . 8 1 1 A 31 31 THR C C 31 176.457 175.469 0.988 1 1 350 . 8 1 1 A 31 31 THR CA C 31 60.632 59.795 0.837 1 1 351 . 8 1 1 A 31 31 THR CB C 31 71.451 72.334 -0.883 1 1 353 . 8 1 1 A 31 31 THR N N 31 114.721 111.389 3.332 1 1 354 . 8 1 1 A 32 32 ASN H H 32 9.812 8.788 1.024 1 1 355 . 8 1 1 A 32 32 ASN HA H 32 4.352 4.492 -0.140 1 1 358 . 8 1 1 A 32 32 ASN C C 32 175.252 176.322 -1.070 1 1 359 . 8 1 1 A 32 32 ASN CA C 32 55.476 56.218 -0.742 1 1 360 . 8 1 1 A 32 32 ASN CB C 32 38.524 38.461 0.063 1 1 361 . 8 1 1 A 32 32 ASN N N 32 118.460 119.997 -1.537 1 1 362 . 8 1 1 A 33 33 SER H H 33 7.782 7.764 0.018 1 1 363 . 8 1 1 A 33 33 SER HA H 33 4.562 4.637 -0.075 1 1 366 . 8 1 1 A 33 33 SER C C 33 173.822 173.093 0.729 1 1 367 . 8 1 1 A 33 33 SER CA C 33 57.390 57.727 -0.337 1 1 368 . 8 1 1 A 33 33 SER CB C 33 62.859 63.266 -0.407 1 1 369 . 8 1 1 A 33 33 SER N N 33 110.725 111.920 -1.195 1 1 370 . 8 1 1 A 34 34 LEU H H 34 8.342 8.035 0.307 1 1 371 . 8 1 1 A 34 34 LEU HA H 34 3.686 3.943 -0.257 1 1 381 . 8 1 1 A 34 34 LEU C C 34 175.516 176.525 -1.009 1 1 382 . 8 1 1 A 34 34 LEU CA C 34 57.117 56.009 1.108 1 1 383 . 8 1 1 A 34 34 LEU CB C 34 37.430 39.891 -2.461 1 1 387 . 8 1 1 A 34 34 LEU N N 34 116.913 117.873 -0.960 1 1 388 . 8 1 1 A 35 35 GLU H H 35 7.538 8.428 -0.890 1 1 389 . 8 1 1 A 35 35 GLU HA H 35 4.546 4.340 0.206 1 1 394 . 8 1 1 A 35 35 GLU C C 35 176.005 175.867 0.138 1 1 395 . 8 1 1 A 35 35 GLU CA C 35 54.929 56.625 -1.696 1 1 396 . 8 1 1 A 35 35 GLU CB C 35 30.868 29.910 0.958 1 1 398 . 8 1 1 A 35 35 GLU N N 35 117.429 117.662 -0.233 1 1 399 . 8 1 1 A 36 36 GLU H H 36 8.681 7.971 0.710 1 1 400 . 8 1 1 A 36 36 GLU HA H 36 4.740 3.929 0.811 1 1 405 . 8 1 1 A 36 36 GLU C C 36 176.833 175.333 1.500 1 1 406 . 8 1 1 A 36 36 GLU CA C 36 56.923 57.305 -0.382 1 1 407 . 8 1 1 A 36 36 GLU CB C 36 30.868 27.456 3.412 1 1 409 . 8 1 1 A 36 36 GLU N N 36 121.296 116.947 4.349 1 1 410 . 8 1 1 A 37 37 LYS H H 37 9.122 7.582 1.540 1 1 411 . 8 1 1 A 37 37 LYS HA H 37 4.639 4.253 0.386 1 1 420 . 8 1 1 A 37 37 LYS C C 37 173.671 175.470 -1.799 1 1 421 . 8 1 1 A 37 37 LYS CA C 37 55.476 56.303 -0.827 1 1 422 . 8 1 1 A 37 37 LYS CB C 37 35.243 33.624 1.619 1 1 426 . 8 1 1 A 37 37 LYS N N 37 125.292 120.165 5.127 1 1 427 . 8 1 1 A 38 38 SER H H 38 9.337 8.436 0.901 1 1 428 . 8 1 1 A 38 38 SER HA H 38 5.310 4.982 0.328 1 1 431 . 8 1 1 A 38 38 SER C C 38 175.102 174.652 0.450 1 1 432 . 8 1 1 A 38 38 SER CA C 38 56.296 56.133 0.163 1 1 433 . 8 1 1 A 38 38 SER CB C 38 67.233 66.412 0.821 1 1 434 . 8 1 1 A 38 38 SER N N 38 121.811 118.389 3.422 1 1 435 . 8 1 1 A 39 39 LEU H H 39 7.023 8.165 -1.142 1 1 436 . 8 1 1 A 39 39 LEU HA H 39 3.872 3.679 0.193 1 1 446 . 8 1 1 A 39 39 LEU C C 39 179.845 178.275 1.570 1 1 447 . 8 1 1 A 39 39 LEU CA C 39 58.210 57.988 0.222 1 1 448 . 8 1 1 A 39 39 LEU CB C 39 40.711 40.824 -0.113 1 1 452 . 8 1 1 A 39 39 LEU N N 39 121.811 122.401 -0.590 1 1 453 . 8 1 1 A 40 40 ALA H H 40 8.447 7.429 1.018 1 1 454 . 8 1 1 A 40 40 ALA HA H 40 3.890 4.011 -0.121 1 1 458 . 8 1 1 A 40 40 ALA C C 40 179.995 179.797 0.198 1 1 459 . 8 1 1 A 40 40 ALA CA C 40 55.203 54.558 0.645 1 1 460 . 8 1 1 A 40 40 ALA CB C 40 18.291 18.181 0.110 1 1 461 . 8 1 1 A 40 40 ALA N N 40 119.362 119.300 0.062 1 1 462 . 8 1 1 A 41 41 ASP H H 41 7.517 7.964 -0.447 1 1 463 . 8 1 1 A 41 41 ASP HA H 41 4.469 4.340 0.129 1 1 466 . 8 1 1 A 41 41 ASP C C 41 176.720 178.703 -1.983 1 1 467 . 8 1 1 A 41 41 ASP CA C 41 56.296 56.894 -0.598 1 1 468 . 8 1 1 A 41 41 ASP CB C 41 42.079 40.741 1.338 1 1 469 . 8 1 1 A 41 41 ASP N N 41 114.850 118.835 -3.985 1 1 470 . 8 1 1 A 42 42 MET H H 42 7.989 8.085 -0.096 1 1 471 . 8 1 1 A 42 42 MET HA H 42 4.336 4.446 -0.110 1 1 479 . 8 1 1 A 42 42 MET C C 42 175.440 177.379 -1.939 1 1 480 . 8 1 1 A 42 42 MET CA C 42 56.843 58.192 -1.349 1 1 481 . 8 1 1 A 42 42 MET CB C 42 31.962 32.653 -0.691 1 1 484 . 8 1 1 A 42 42 MET N N 42 118.847 116.554 2.293 1 1 485 . 8 1 1 A 43 43 LYS H H 43 6.901 7.625 -0.724 1 1 486 . 8 1 1 A 43 43 LYS HA H 43 4.265 4.340 -0.075 1 1 494 . 8 1 1 A 43 43 LYS C C 43 177.435 177.479 -0.044 1 1 495 . 8 1 1 A 43 43 LYS CA C 43 57.664 58.587 -0.923 1 1 496 . 8 1 1 A 43 43 LYS CB C 43 33.329 32.393 0.936 1 1 500 . 8 1 1 A 43 43 LYS N N 43 116.913 119.438 -2.525 1 1 501 . 8 1 1 A 44 44 GLY H H 44 9.268 9.049 0.219 1 1 502 . 8 1 1 A 44 44 GLY HA2 H 44 3.692 4.021 -0.329 1 1 503 . 8 1 1 A 44 44 GLY HA3 H 44 4.596 4.024 0.572 1 1 504 . 8 1 1 A 44 44 GLY C C 44 173.671 173.388 0.283 1 1 505 . 8 1 1 A 44 44 GLY CA C 44 44.813 45.190 -0.377 1 1 506 . 8 1 1 A 44 44 GLY N N 44 111.112 112.477 -1.365 1 1 507 . 8 1 1 A 45 45 LYS H H 45 7.516 7.370 0.146 1 1 508 . 8 1 1 A 45 45 LYS HA H 45 4.754 4.809 -0.055 1 1 515 . 8 1 1 A 45 45 LYS C C 45 175.214 174.627 0.587 1 1 516 . 8 1 1 A 45 45 LYS CA C 45 54.820 55.051 -0.231 1 1 517 . 8 1 1 A 45 45 LYS CB C 45 36.883 36.196 0.687 1 1 521 . 8 1 1 A 45 45 LYS N N 45 117.944 121.193 -3.249 1 1 522 . 8 1 1 A 46 46 VAL H H 46 8.887 8.613 0.274 1 1 523 . 8 1 1 A 46 46 VAL HA H 46 3.950 4.210 -0.260 1 1 531 . 8 1 1 A 46 46 VAL C C 46 174.876 175.292 -0.416 1 1 532 . 8 1 1 A 46 46 VAL CA C 46 64.773 63.293 1.480 1 1 533 . 8 1 1 A 46 46 VAL CB C 46 31.962 32.243 -0.281 1 1 536 . 8 1 1 A 46 46 VAL N N 46 124.776 124.409 0.367 1 1 537 . 8 1 1 A 47 47 THR H H 47 8.956 8.900 0.056 1 1 538 . 8 1 1 A 47 47 THR HA H 47 5.300 5.310 -0.010 1 1 543 . 8 1 1 A 47 47 THR C C 47 172.579 173.516 -0.937 1 1 544 . 8 1 1 A 47 47 THR CA C 47 62.312 61.278 1.034 1 1 545 . 8 1 1 A 47 47 THR CB C 47 73.249 72.206 1.043 1 1 547 . 8 1 1 A 47 47 THR N N 47 124.132 121.887 2.245 1 1 548 . 8 1 1 A 48 48 ILE H H 48 9.160 8.972 0.188 1 1 549 . 8 1 1 A 48 48 ILE HA H 48 4.740 4.970 -0.230 1 1 559 . 8 1 1 A 48 48 ILE C C 48 173.972 175.162 -1.190 1 1 560 . 8 1 1 A 48 48 ILE CA C 48 61.441 60.009 1.432 1 1 561 . 8 1 1 A 48 48 ILE CB C 48 40.438 41.972 -1.534 1 1 565 . 8 1 1 A 48 48 ILE N N 48 128.515 124.699 3.816 1 1 566 . 8 1 1 A 49 49 ILE H H 49 9.507 9.194 0.313 1 1 567 . 8 1 1 A 49 49 ILE HA H 49 4.883 5.113 -0.230 1 1 577 . 8 1 1 A 49 49 ILE C C 49 174.650 174.816 -0.166 1 1 578 . 8 1 1 A 49 49 ILE CA C 49 60.773 60.239 0.534 1 1 579 . 8 1 1 A 49 49 ILE CB C 49 41.532 41.595 -0.063 1 1 583 . 8 1 1 A 49 49 ILE N N 49 126.194 127.267 -1.073 1 1 584 . 8 1 1 A 50 50 SER H H 50 9.079 9.044 0.035 1 1 585 . 8 1 1 A 50 50 SER HA H 50 5.138 5.421 -0.283 1 1 588 . 8 1 1 A 50 50 SER C C 50 172.692 173.195 -0.503 1 1 589 . 8 1 1 A 50 50 SER CA C 50 56.843 57.854 -1.011 1 1 590 . 8 1 1 A 50 50 SER CB C 50 64.773 65.164 -0.391 1 1 591 . 8 1 1 A 50 50 SER N N 50 121.940 124.821 -2.881 1 1 592 . 8 1 1 A 51 51 VAL H H 51 9.010 8.858 0.152 1 1 593 . 8 1 1 A 51 51 VAL HA H 51 4.873 4.878 -0.005 1 1 601 . 8 1 1 A 51 51 VAL CA C 51 61.595 61.315 0.280 1 1 602 . 8 1 1 A 51 51 VAL CB C 51 32.509 34.771 -2.262 1 1 605 . 8 1 1 A 51 51 VAL N N 51 128.128 124.671 3.457 1 1 606 . 8 1 1 A 52 52 ILE H H 52 8.182 8.096 0.086 1 1 607 . 8 1 1 A 52 52 ILE HA H 52 4.862 4.806 0.056 1 1 616 . 8 1 1 A 52 52 ILE CA C 52 58.026 57.595 0.431 1 1 617 . 8 1 1 A 52 52 ILE CB C 52 43.172 40.531 2.641 1 1 621 . 8 1 1 A 52 52 ILE N N 52 124.776 123.869 0.907 1 1 622 . 8 1 1 A 53 53 PRO HA H 53 4.904 4.408 0.496 1 1 629 . 8 1 1 A 53 53 PRO CA C 53 65.560 64.650 0.910 1 1 630 . 8 1 1 A 53 53 PRO CB C 53 31.826 32.082 -0.256 1 1 633 . 8 1 1 A 54 54 SER H H 54 7.214 7.451 -0.237 1 1 634 . 8 1 1 A 54 54 SER HA H 54 5.100 4.710 0.390 1 1 637 . 8 1 1 A 54 54 SER CA C 54 57.417 57.304 0.113 1 1 638 . 8 1 1 A 54 54 SER CB C 54 65.195 66.745 -1.550 1 1 639 . 8 1 1 A 54 54 SER N N 54 107.901 111.917 -4.016 1 1 640 . 8 1 1 A 55 55 ILE H H 55 7.330 8.384 -1.054 1 1 641 . 8 1 1 A 55 55 ILE HA H 55 5.075 4.047 1.028 1 1 651 . 8 1 1 A 55 55 ILE CA C 55 61.734 62.114 -0.380 1 1 652 . 8 1 1 A 55 55 ILE CB C 55 36.233 37.049 -0.816 1 1 656 . 8 1 1 A 56 56 ASP H H 56 8.699 8.675 0.024 1 1 657 . 8 1 1 A 56 56 ASP HA H 56 5.075 4.926 0.149 1 1 660 . 8 1 1 A 56 56 ASP CA C 56 54.407 55.098 -0.691 1 1 661 . 8 1 1 A 56 56 ASP CB C 56 42.832 44.115 -1.283 1 1 662 . 8 1 1 A 56 56 ASP N N 56 121.940 122.299 -0.359 1 1 663 . 8 1 1 A 57 57 THR H H 57 7.294 7.630 -0.336 1 1 664 . 8 1 1 A 57 57 THR HA H 57 4.323 4.422 -0.099 1 1 669 . 8 1 1 A 57 57 THR C C 57 175.440 175.583 -0.143 1 1 670 . 8 1 1 A 57 57 THR CA C 57 61.765 61.938 -0.173 1 1 671 . 8 1 1 A 57 57 THR CB C 57 69.421 68.847 0.574 1 1 673 . 8 1 1 A 57 57 THR N N 57 108.921 108.779 0.142 1 1 674 . 8 1 1 A 58 58 GLY H H 58 8.215 8.056 0.159 1 1 675 . 8 1 1 A 58 58 GLY HA2 H 58 4.012 3.958 0.054 1 1 676 . 8 1 1 A 58 58 GLY HA3 H 58 4.012 3.958 0.054 1 1 677 . 8 1 1 A 58 58 GLY C C 58 173.520 175.077 -1.557 1 1 678 . 8 1 1 A 58 58 GLY CA C 58 45.360 45.530 -0.170 1 1 679 . 8 1 1 A 58 58 GLY N N 58 110.969 109.815 1.154 1 1 680 . 8 1 1 A 59 59 VAL H H 59 7.976 8.225 -0.249 1 1 681 . 8 1 1 A 59 59 VAL HA H 59 4.307 3.949 0.358 1 1 689 . 8 1 1 A 59 59 VAL C C 59 175.854 176.876 -1.022 1 1 690 . 8 1 1 A 59 59 VAL CA C 59 61.765 64.251 -2.486 1 1 691 . 8 1 1 A 59 59 VAL CB C 59 33.329 31.138 2.191 1 1 694 . 8 1 1 A 59 59 VAL N N 59 118.501 118.461 0.040 1 1 696 . 8 1 1 A 61 61 ASP HA H 61 4.323 4.656 -0.333 1 1 697 . 8 1 1 A 61 61 ASP CA C 61 54.382 52.870 1.512 1 1 698 . 8 1 1 A 61 61 ASP CB C 61 39.142 41.458 -2.316 1 1 699 . 8 1 1 A 62 62 ALA H H 62 8.663 8.867 -0.204 1 1 700 . 8 1 1 A 62 62 ALA HA H 62 3.971 3.953 0.018 1 1 704 . 8 1 1 A 62 62 ALA C C 62 180.485 179.730 0.755 1 1 705 . 8 1 1 A 62 62 ALA CA C 62 55.203 55.460 -0.257 1 1 706 . 8 1 1 A 62 62 ALA CB C 62 18.838 18.297 0.541 1 1 707 . 8 1 1 A 63 63 GLN H H 63 8.550 8.116 0.434 1 1 708 . 8 1 1 A 63 63 GLN HA H 63 3.865 3.653 0.212 1 1 715 . 8 1 1 A 63 63 GLN C C 63 178.527 178.133 0.394 1 1 716 . 8 1 1 A 63 63 GLN CA C 63 59.346 58.937 0.409 1 1 717 . 8 1 1 A 63 63 GLN CB C 63 28.635 29.001 -0.366 1 1 719 . 8 1 1 A 63 63 GLN N N 63 117.429 118.441 -1.012 1 1 721 . 8 1 1 A 64 64 THR H H 64 8.121 8.378 -0.257 1 1 722 . 8 1 1 A 64 64 THR HA H 64 3.624 3.908 -0.284 1 1 727 . 8 1 1 A 64 64 THR C C 64 178.527 176.416 2.111 1 1 728 . 8 1 1 A 64 64 THR CA C 64 66.686 67.519 -0.833 1 1 729 . 8 1 1 A 64 64 THR CB C 64 68.600 68.400 0.200 1 1 731 . 8 1 1 A 64 64 THR N N 64 118.460 115.503 2.957 1 1 732 . 8 1 1 A 65 65 ARG H H 65 7.530 8.159 -0.629 1 1 733 . 8 1 1 A 65 65 ARG HA H 65 3.904 3.972 -0.068 1 1 739 . 8 1 1 A 65 65 ARG CA C 65 59.507 59.864 -0.357 1 1 740 . 8 1 1 A 65 65 ARG CB C 65 29.637 30.106 -0.469 1 1 743 . 8 1 1 A 66 66 ARG H H 66 7.972 7.814 0.158 1 1 744 . 8 1 1 A 66 66 ARG HA H 66 4.056 3.919 0.137 1 1 751 . 8 1 1 A 66 66 ARG C C 66 177.624 177.981 -0.357 1 1 752 . 8 1 1 A 66 66 ARG CA C 66 59.031 58.804 0.227 1 1 753 . 8 1 1 A 66 66 ARG CB C 66 29.228 29.680 -0.452 1 1 756 . 8 1 1 A 66 66 ARG N N 66 118.460 119.697 -1.237 1 1 757 . 8 1 1 A 67 67 PHE H H 67 7.673 8.227 -0.554 1 1 758 . 8 1 1 A 67 67 PHE HA H 67 4.260 4.166 0.094 1 1 763 . 8 1 1 A 67 67 PHE C C 67 176.043 177.436 -1.393 1 1 764 . 8 1 1 A 67 67 PHE CA C 67 60.945 61.273 -0.328 1 1 765 . 8 1 1 A 67 67 PHE CB C 67 39.071 38.996 0.075 1 1 766 . 8 1 1 A 67 67 PHE N N 67 119.362 120.482 -1.120 1 1 767 . 8 1 1 A 68 68 ASN H H 68 7.688 8.385 -0.697 1 1 768 . 8 1 1 A 68 68 ASN HA H 68 4.150 3.947 0.203 1 1 771 . 8 1 1 A 68 68 ASN C C 68 177.172 177.707 -0.535 1 1 772 . 8 1 1 A 68 68 ASN CA C 68 55.750 56.816 -1.066 1 1 773 . 8 1 1 A 68 68 ASN CB C 68 37.977 38.829 -0.852 1 1 774 . 8 1 1 A 68 68 ASN N N 68 117.042 117.368 -0.326 1 1 775 . 8 1 1 A 69 69 GLU H H 69 8.185 8.188 -0.003 1 1 776 . 8 1 1 A 69 69 GLU HA H 69 3.848 4.013 -0.165 1 1 781 . 8 1 1 A 69 69 GLU C C 69 179.468 179.126 0.342 1 1 782 . 8 1 1 A 69 69 GLU CA C 69 59.577 59.206 0.371 1 1 783 . 8 1 1 A 69 69 GLU CB C 69 30.321 29.240 1.081 1 1 785 . 8 1 1 A 69 69 GLU N N 69 118.975 119.080 -0.105 1 1 786 . 8 1 1 A 70 70 GLU H H 70 8.671 8.386 0.285 1 1 787 . 8 1 1 A 70 70 GLU HA H 70 3.807 4.027 -0.220 1 1 792 . 8 1 1 A 70 70 GLU C C 70 179.468 179.411 0.057 1 1 793 . 8 1 1 A 70 70 GLU CA C 70 58.757 59.031 -0.274 1 1 794 . 8 1 1 A 70 70 GLU CB C 70 29.501 28.713 0.788 1 1 796 . 8 1 1 A 70 70 GLU N N 70 118.975 119.645 -0.670 1 1 797 . 8 1 1 A 71 71 ALA H H 71 8.418 7.995 0.423 1 1 798 . 8 1 1 A 71 71 ALA HA H 71 3.616 4.014 -0.398 1 1 802 . 8 1 1 A 71 71 ALA C C 71 178.226 180.117 -1.891 1 1 803 . 8 1 1 A 71 71 ALA CA C 71 54.656 54.928 -0.272 1 1 804 . 8 1 1 A 71 71 ALA CB C 71 18.017 17.842 0.175 1 1 805 . 8 1 1 A 71 71 ALA N N 71 122.069 123.246 -1.177 1 1 806 . 8 1 1 A 72 72 ALA H H 72 7.520 7.610 -0.090 1 1 807 . 8 1 1 A 72 72 ALA HA H 72 3.842 4.001 -0.159 1 1 811 . 8 1 1 A 72 72 ALA C C 72 179.280 178.632 0.648 1 1 812 . 8 1 1 A 72 72 ALA CA C 72 54.109 54.394 -0.285 1 1 813 . 8 1 1 A 72 72 ALA CB C 72 18.564 18.207 0.357 1 1 814 . 8 1 1 A 72 72 ALA N N 72 116.139 119.710 -3.571 1 1 815 . 8 1 1 A 73 73 LYS H H 73 7.302 7.757 -0.455 1 1 816 . 8 1 1 A 73 73 LYS HA H 73 4.129 4.161 -0.032 1 1 825 . 8 1 1 A 73 73 LYS C C 73 177.661 179.243 -1.582 1 1 826 . 8 1 1 A 73 73 LYS CA C 73 57.116 58.275 -1.159 1 1 827 . 8 1 1 A 73 73 LYS CB C 73 32.782 32.305 0.477 1 1 831 . 8 1 1 A 73 73 LYS N N 73 114.850 116.882 -2.032 1 1 832 . 8 1 1 A 74 74 LEU H H 74 7.398 7.427 -0.029 1 1 833 . 8 1 1 A 74 74 LEU HA H 74 3.983 4.075 -0.092 1 1 843 . 8 1 1 A 74 74 LEU C C 74 177.021 176.809 0.212 1 1 844 . 8 1 1 A 74 74 LEU CA C 74 56.843 56.792 0.051 1 1 845 . 8 1 1 A 74 74 LEU CB C 74 42.625 42.910 -0.285 1 1 849 . 8 1 1 A 74 74 LEU N N 74 118.460 119.148 -0.688 1 1 850 . 8 1 1 A 75 75 GLY H H 75 7.174 7.236 -0.062 1 1 851 . 8 1 1 A 75 75 GLY HA2 H 75 4.215 4.069 0.146 1 1 852 . 8 1 1 A 75 75 GLY HA3 H 75 3.630 4.070 -0.440 1 1 853 . 8 1 1 A 75 75 GLY C C 75 172.805 173.370 -0.565 1 1 854 . 8 1 1 A 75 75 GLY CA C 75 45.360 45.598 -0.238 1 1 855 . 8 1 1 A 75 75 GLY N N 75 102.991 104.438 -1.447 1 1 856 . 8 1 1 A 76 76 ASP H H 76 8.825 8.572 0.253 1 1 857 . 8 1 1 A 76 76 ASP HA H 76 4.766 4.716 0.050 1 1 860 . 8 1 1 A 76 76 ASP C C 76 173.749 175.482 -1.733 1 1 861 . 8 1 1 A 76 76 ASP CA C 76 53.708 53.785 -0.077 1 1 862 . 8 1 1 A 76 76 ASP CB C 76 39.071 40.358 -1.287 1 1 863 . 8 1 1 A 76 76 ASP N N 76 126.839 120.699 6.140 1 1 864 . 8 1 1 A 77 77 VAL H H 77 7.511 7.395 0.116 1 1 865 . 8 1 1 A 77 77 VAL HA H 77 4.772 4.032 0.740 1 1 873 . 8 1 1 A 77 77 VAL C C 77 175.629 175.757 -0.128 1 1 874 . 8 1 1 A 77 77 VAL CA C 77 58.959 62.126 -3.167 1 1 875 . 8 1 1 A 77 77 VAL CB C 77 34.970 32.277 2.693 1 1 878 . 8 1 1 A 77 77 VAL N N 77 115.615 117.836 -2.221 1 1 879 . 8 1 1 A 78 78 ASN H H 78 8.822 8.506 0.316 1 1 880 . 8 1 1 A 78 78 ASN HA H 78 4.820 4.582 0.238 1 1 885 . 8 1 1 A 78 78 ASN C C 78 174.047 175.285 -1.238 1 1 886 . 8 1 1 A 78 78 ASN CA C 78 52.085 53.675 -1.590 1 1 887 . 8 1 1 A 78 78 ASN CB C 78 40.438 38.455 1.983 1 1 888 . 8 1 1 A 78 78 ASN N N 78 120.393 122.771 -2.378 1 1 890 . 8 1 1 A 79 79 VAL H H 79 8.044 8.461 -0.417 1 1 891 . 8 1 1 A 79 79 VAL HA H 79 4.669 4.805 -0.136 1 1 899 . 8 1 1 A 79 79 VAL C C 79 174.123 173.827 0.296 1 1 900 . 8 1 1 A 79 79 VAL CA C 79 61.491 59.764 1.727 1 1 901 . 8 1 1 A 79 79 VAL CB C 79 33.329 34.606 -1.277 1 1 904 . 8 1 1 A 79 79 VAL N N 79 122.456 117.226 5.230 1 1 905 . 8 1 1 A 80 80 TYR H H 80 8.944 8.802 0.142 1 1 906 . 8 1 1 A 80 80 TYR HA H 80 6.170 5.383 0.787 1 1 911 . 8 1 1 A 80 80 TYR C C 80 177.210 175.323 1.887 1 1 912 . 8 1 1 A 80 80 TYR CA C 80 54.929 55.964 -1.035 1 1 913 . 8 1 1 A 80 80 TYR CB C 80 42.899 43.008 -0.109 1 1 914 . 8 1 1 A 80 80 TYR N N 80 123.229 124.318 -1.089 1 1 915 . 8 1 1 A 81 81 THR H H 81 8.465 8.533 -0.068 1 1 916 . 8 1 1 A 81 81 THR HA H 81 5.652 5.298 0.354 1 1 921 . 8 1 1 A 81 81 THR C C 81 172.880 173.049 -0.169 1 1 922 . 8 1 1 A 81 81 THR CA C 81 62.038 61.447 0.591 1 1 923 . 8 1 1 A 81 81 THR CB C 81 71.608 71.565 0.043 1 1 925 . 8 1 1 A 81 81 THR N N 81 119.491 115.731 3.760 1 1 926 . 8 1 1 A 82 82 ILE H H 82 8.958 8.976 -0.018 1 1 927 . 8 1 1 A 82 82 ILE HA H 82 5.145 4.608 0.537 1 1 937 . 8 1 1 A 82 82 ILE C C 82 174.123 174.523 -0.400 1 1 938 . 8 1 1 A 82 82 ILE CA C 82 59.847 60.378 -0.531 1 1 939 . 8 1 1 A 82 82 ILE CB C 82 39.618 38.894 0.724 1 1 943 . 8 1 1 A 82 82 ILE N N 82 125.550 128.687 -3.137 1 1 944 . 8 1 1 A 83 83 SER H H 83 7.731 8.778 -1.047 1 1 945 . 8 1 1 A 83 83 SER HA H 83 4.909 5.241 -0.332 1 1 948 . 8 1 1 A 83 83 SER C C 83 173.182 173.366 -0.184 1 1 949 . 8 1 1 A 83 83 SER CA C 83 57.034 57.534 -0.500 1 1 950 . 8 1 1 A 83 83 SER CB C 83 68.054 66.520 1.534 1 1 951 . 8 1 1 A 83 83 SER N N 83 117.171 119.906 -2.735 1 1 952 . 8 1 1 A 84 84 ALA H H 84 9.548 8.969 0.579 1 1 953 . 8 1 1 A 84 84 ALA HA H 84 4.177 4.608 -0.431 1 1 957 . 8 1 1 A 84 84 ALA C C 84 175.290 177.154 -1.864 1 1 958 . 8 1 1 A 84 84 ALA CA C 84 51.922 52.408 -0.486 1 1 959 . 8 1 1 A 84 84 ALA CB C 84 19.111 21.582 -2.471 1 1 960 . 8 1 1 A 84 84 ALA N N 84 120.651 123.559 -2.908 1 1 961 . 8 1 1 A 85 85 ASP H H 85 7.739 8.029 -0.290 1 1 962 . 8 1 1 A 85 85 ASP HA H 85 4.380 4.608 -0.228 1 1 965 . 8 1 1 A 85 85 ASP C C 85 175.591 176.892 -1.301 1 1 966 . 8 1 1 A 85 85 ASP CA C 85 55.136 53.193 1.943 1 1 967 . 8 1 1 A 85 85 ASP CB C 85 43.011 39.237 3.774 1 1 968 . 8 1 1 A 85 85 ASP N N 85 114.721 119.281 -4.560 1 1 969 . 8 1 1 A 86 86 LEU H H 86 8.475 8.153 0.322 1 1 970 . 8 1 1 A 86 86 LEU HA H 86 3.956 4.021 -0.065 1 1 980 . 8 1 1 A 86 86 LEU CA C 86 54.656 59.717 -5.061 1 1 981 . 8 1 1 A 86 86 LEU CB C 86 39.380 39.825 -0.445 1 1 985 . 8 1 1 A 87 87 PRO HA H 87 4.225 4.213 0.012 1 1 992 . 8 1 1 A 87 87 PRO CA C 87 65.046 65.364 -0.318 1 1 993 . 8 1 1 A 87 87 PRO CB C 87 32.264 30.572 1.692 1 1 996 . 8 1 1 A 88 88 PHE H H 88 5.565 7.823 -2.258 1 1 997 . 8 1 1 A 88 88 PHE HA H 88 4.340 4.684 -0.344 1 1 1000 . 8 1 1 A 88 88 PHE CA C 88 57.664 57.832 -0.168 1 1 1001 . 8 1 1 A 88 88 PHE CB C 88 39.344 40.486 -1.142 1 1 1002 . 8 1 1 A 88 88 PHE N N 88 110.725 115.080 -4.355 1 1 1003 . 8 1 1 A 89 89 ALA H H 89 7.381 7.246 0.135 1 1 1004 . 8 1 1 A 89 89 ALA HA H 89 4.239 3.990 0.249 1 1 1008 . 8 1 1 A 89 89 ALA CA C 89 52.009 52.768 -0.759 1 1 1009 . 8 1 1 A 89 89 ALA CB C 89 19.761 18.988 0.773 1 1 1010 . 8 1 1 A 89 89 ALA N N 89 114.850 122.512 -7.662 1 1 1011 . 8 1 1 A 90 90 GLN H H 90 7.231 8.676 -1.445 1 1 1012 . 8 1 1 A 90 90 GLN HA H 90 3.695 3.299 0.396 1 1 1018 . 8 1 1 A 90 90 GLN CA C 90 59.578 56.852 2.726 1 1 1019 . 8 1 1 A 90 90 GLN CB C 90 28.728 26.664 2.064 1 1 1022 . 8 1 1 A 91 91 ALA H H 91 7.741 7.192 0.549 1 1 1023 . 8 1 1 A 91 91 ALA HA H 91 4.202 4.595 -0.393 1 1 1027 . 8 1 1 A 91 91 ALA CA C 91 54.382 52.904 1.478 1 1 1028 . 8 1 1 A 91 91 ALA CB C 91 18.837 21.992 -3.155 1 1 1029 . 8 1 1 A 91 91 ALA N N 91 118.589 118.110 0.479 1 1 1030 . 8 1 1 A 92 92 ARG H H 92 7.354 7.187 0.167 1 1 1031 . 8 1 1 A 92 92 ARG HA H 92 4.588 4.495 0.093 1 1 1038 . 8 1 1 A 92 92 ARG CA C 92 55.476 55.203 0.273 1 1 1039 . 8 1 1 A 92 92 ARG CB C 92 30.048 30.365 -0.317 1 1 1042 . 8 1 1 A 93 93 TRP H H 93 7.767 7.318 0.449 1 1 1043 . 8 1 1 A 93 93 TRP HA H 93 4.881 4.203 0.678 1 1 1050 . 8 1 1 A 93 93 TRP CA C 93 57.534 57.623 -0.089 1 1 1051 . 8 1 1 A 93 93 TRP CB C 93 29.501 27.322 2.179 1 1 1052 . 8 1 1 A 93 93 TRP N N 93 121.927 116.153 5.774 1 1 1054 . 8 1 1 A 94 94 CYS HA H 94 3.901 4.360 -0.459 1 1 1057 . 8 1 1 A 94 94 CYS CA C 94 59.577 58.074 1.503 1 1 1058 . 8 1 1 A 94 94 CYS CB C 94 43.446 43.019 0.427 1 1 1059 . 8 1 1 A 95 95 GLY HA2 H 95 5.122 4.085 1.037 1 1 1060 . 8 1 1 A 95 95 GLY HA3 H 95 3.691 4.085 -0.394 1 1 1061 . 8 1 1 A 95 95 GLY CA C 95 45.511 45.930 -0.419 1 1 1062 . 8 1 1 A 96 96 ALA H H 96 7.504 8.588 -1.084 1 1 1063 . 8 1 1 A 96 96 ALA HA H 96 4.412 3.892 0.520 1 1 1067 . 8 1 1 A 96 96 ALA CA C 96 51.699 53.082 -1.383 1 1 1068 . 8 1 1 A 96 96 ALA CB C 96 21.025 17.776 3.249 1 1 1069 . 8 1 1 A 96 96 ALA N N 96 121.579 122.748 -1.169 1 1 1070 . 8 1 1 A 97 97 ASN H H 97 7.345 7.933 -0.588 1 1 1071 . 8 1 1 A 97 97 ASN HA H 97 4.551 5.007 -0.456 1 1 1076 . 8 1 1 A 97 97 ASN CA C 97 54.929 52.377 2.552 1 1 1077 . 8 1 1 A 97 97 ASN CB C 97 39.071 42.152 -3.081 1 1 1079 . 8 1 1 A 98 98 GLY H H 98 8.890 8.656 0.234 1 1 1080 . 8 1 1 A 98 98 GLY HA2 H 98 3.796 3.949 -0.153 1 1 1081 . 8 1 1 A 98 98 GLY HA3 H 98 4.070 3.954 0.116 1 1 1082 . 8 1 1 A 98 98 GLY C C 98 174.160 174.102 0.058 1 1 1083 . 8 1 1 A 98 98 GLY CA C 98 45.841 45.794 0.047 1 1 1084 . 8 1 1 A 99 99 ILE H H 99 7.739 7.896 -0.157 1 1 1085 . 8 1 1 A 99 99 ILE HA H 99 4.198 4.168 0.030 1 1 1095 . 8 1 1 A 99 99 ILE C C 99 175.561 176.231 -0.670 1 1 1096 . 8 1 1 A 99 99 ILE CA C 99 60.671 60.423 0.248 1 1 1097 . 8 1 1 A 99 99 ILE CB C 99 38.524 36.819 1.705 1 1 1101 . 8 1 1 A 99 99 ILE N N 99 120.780 118.509 2.271 1 1 1102 . 8 1 1 A 100 100 ASP H H 100 8.372 8.211 0.161 1 1 1103 . 8 1 1 A 100 100 ASP HA H 100 4.426 4.214 0.212 1 1 1106 . 8 1 1 A 100 100 ASP C C 100 176.325 178.285 -1.960 1 1 1107 . 8 1 1 A 100 100 ASP CA C 100 56.023 56.766 -0.743 1 1 1108 . 8 1 1 A 100 100 ASP CB C 100 40.985 41.202 -0.217 1 1 1109 . 8 1 1 A 100 100 ASP N N 100 126.194 125.250 0.944 1 1 1110 . 8 1 1 A 101 101 LYS H H 101 8.081 7.827 0.254 1 1 1111 . 8 1 1 A 101 101 LYS HA H 101 4.052 4.230 -0.178 1 1 1120 . 8 1 1 A 101 101 LYS C C 101 175.874 177.650 -1.776 1 1 1121 . 8 1 1 A 101 101 LYS CA C 101 58.210 58.511 -0.301 1 1 1122 . 8 1 1 A 101 101 LYS CB C 101 31.689 32.134 -0.445 1 1 1126 . 8 1 1 A 101 101 LYS N N 101 115.366 117.107 -1.741 1 1 1127 . 8 1 1 A 102 102 VAL H H 102 7.631 7.525 0.106 1 1 1128 . 8 1 1 A 102 102 VAL HA H 102 4.419 4.160 0.259 1 1 1136 . 8 1 1 A 102 102 VAL C C 102 175.145 175.756 -0.611 1 1 1137 . 8 1 1 A 102 102 VAL CA C 102 61.919 63.491 -1.572 1 1 1138 . 8 1 1 A 102 102 VAL CB C 102 32.782 31.901 0.881 1 1 1141 . 8 1 1 A 102 102 VAL N N 102 119.362 120.335 -0.973 1 1 1142 . 8 1 1 A 103 103 GLU H H 103 8.489 8.601 -0.112 1 1 1143 . 8 1 1 A 103 103 GLU HA H 103 4.931 5.281 -0.350 1 1 1148 . 8 1 1 A 103 103 GLU C C 103 175.943 175.528 0.415 1 1 1149 . 8 1 1 A 103 103 GLU CA C 103 55.140 54.874 0.266 1 1 1150 . 8 1 1 A 103 103 GLU CB C 103 33.329 33.492 -0.163 1 1 1152 . 8 1 1 A 103 103 GLU N N 103 126.581 126.717 -0.136 1 1 1153 . 8 1 1 A 104 104 THR H H 104 8.690 8.955 -0.265 1 1 1154 . 8 1 1 A 104 104 THR HA H 104 5.292 5.410 -0.118 1 1 1159 . 8 1 1 A 104 104 THR C C 104 173.165 173.723 -0.558 1 1 1160 . 8 1 1 A 104 104 THR CA C 104 58.757 60.092 -1.335 1 1 1161 . 8 1 1 A 104 104 THR CB C 104 69.967 70.779 -0.812 1 1 1163 . 8 1 1 A 104 104 THR N N 104 114.979 116.132 -1.153 1 1 1164 . 8 1 1 A 105 105 LEU H H 105 8.635 9.008 -0.373 1 1 1165 . 8 1 1 A 105 105 LEU HA H 105 4.979 5.331 -0.352 1 1 1175 . 8 1 1 A 105 105 LEU C C 105 176.985 175.628 1.357 1 1 1176 . 8 1 1 A 105 105 LEU CA C 105 52.849 53.566 -0.717 1 1 1177 . 8 1 1 A 105 105 LEU CB C 105 45.633 45.816 -0.183 1 1 1181 . 8 1 1 A 105 105 LEU N N 105 119.233 125.138 -5.905 1 1 1182 . 8 1 1 A 106 106 SER H H 106 9.670 8.879 0.791 1 1 1183 . 8 1 1 A 106 106 SER HA H 106 5.485 5.434 0.051 1 1 1186 . 8 1 1 A 106 106 SER C C 106 176.256 173.419 2.837 1 1 1187 . 8 1 1 A 106 106 SER CA C 106 56.570 57.262 -0.692 1 1 1188 . 8 1 1 A 106 106 SER CB C 106 65.593 65.957 -0.364 1 1 1189 . 8 1 1 A 106 106 SER N N 106 114.979 117.181 -2.202 1 1 1190 . 8 1 1 A 107 107 ASP H H 107 8.764 8.389 0.375 1 1 1191 . 8 1 1 A 107 107 ASP HA H 107 5.517 4.820 0.697 1 1 1194 . 8 1 1 A 107 107 ASP CA C 107 52.753 54.229 -1.476 1 1 1195 . 8 1 1 A 107 107 ASP CB C 107 45.086 43.874 1.212 1 1 1196 . 8 1 1 A 107 107 ASP N N 107 132.898 123.517 9.381 1 1 1197 . 8 1 1 A 108 108 HIS H H 108 7.940 7.837 0.103 1 1 1198 . 8 1 1 A 108 108 HIS HA H 108 4.075 4.151 -0.076 1 1 1200 . 8 1 1 A 108 108 HIS CA C 108 59.577 58.814 0.763 1 1 1201 . 8 1 1 A 108 108 HIS CB C 108 29.861 30.236 -0.375 1 1 1202 . 8 1 1 A 108 108 HIS N N 108 116.397 119.444 -3.047 1 1 1203 . 8 1 1 A 109 109 ARG HA H 109 4.214 4.046 0.168 1 1 1206 . 8 1 1 A 109 109 ARG CA C 109 59.031 58.582 0.449 1 1 1207 . 8 1 1 A 109 109 ARG CB C 109 27.861 30.398 -2.537 1 1 1208 . 8 1 1 A 110 110 ASP HA H 110 4.867 4.956 -0.089 1 1 1211 . 8 1 1 A 110 110 ASP C C 110 175.735 175.991 -0.256 1 1 1212 . 8 1 1 A 110 110 ASP CA C 110 53.708 53.541 0.167 1 1 1213 . 8 1 1 A 110 110 ASP CB C 110 43.875 43.472 0.403 1 1 1214 . 8 1 1 A 111 111 MET H H 111 7.899 8.640 -0.741 1 1 1215 . 8 1 1 A 111 111 MET HA H 111 4.503 4.401 0.102 1 1 1221 . 8 1 1 A 111 111 MET C C 111 177.332 175.606 1.726 1 1 1222 . 8 1 1 A 111 111 MET CA C 111 56.570 56.762 -0.192 1 1 1223 . 8 1 1 A 111 111 MET CB C 111 30.868 30.820 0.048 1 1 1226 . 8 1 1 A 111 111 MET N N 111 116.397 117.324 -0.927 1 1 1227 . 8 1 1 A 112 112 SER H H 112 7.931 7.638 0.293 1 1 1228 . 8 1 1 A 112 112 SER HA H 112 4.248 4.099 0.149 1 1 1231 . 8 1 1 A 112 112 SER C C 112 179.173 175.938 3.235 1 1 1232 . 8 1 1 A 112 112 SER CA C 112 60.945 62.362 -1.417 1 1 1233 . 8 1 1 A 112 112 SER CB C 112 64.499 62.864 1.635 1 1 1234 . 8 1 1 A 112 112 SER N N 112 113.561 113.400 0.161 1 1 1235 . 8 1 1 A 113 113 PHE H H 113 10.125 8.154 1.971 1 1 1236 . 8 1 1 A 113 113 PHE HA H 113 3.593 3.905 -0.312 1 1 1241 . 8 1 1 A 113 113 PHE C C 113 177.437 177.749 -0.312 1 1 1242 . 8 1 1 A 113 113 PHE CA C 113 62.312 61.286 1.026 1 1 1243 . 8 1 1 A 113 113 PHE CB C 113 37.704 38.555 -0.851 1 1 1244 . 8 1 1 A 113 113 PHE N N 113 125.550 122.565 2.985 1 1 1245 . 8 1 1 A 114 114 GLY H H 114 10.707 8.944 1.763 1 1 1246 . 8 1 1 A 114 114 GLY HA2 H 114 3.396 3.665 -0.269 1 1 1247 . 8 1 1 A 114 114 GLY HA3 H 114 3.218 3.802 -0.584 1 1 1248 . 8 1 1 A 114 114 GLY C C 114 175.735 176.004 -0.269 1 1 1249 . 8 1 1 A 114 114 GLY CA C 114 48.641 47.299 1.342 1 1 1250 . 8 1 1 A 114 114 GLY N N 114 109.178 106.145 3.033 1 1 1251 . 8 1 1 A 115 115 GLU H H 115 8.251 8.127 0.124 1 1 1252 . 8 1 1 A 115 115 GLU HA H 115 4.431 4.088 0.343 1 1 1257 . 8 1 1 A 115 115 GLU C C 115 178.756 179.448 -0.692 1 1 1258 . 8 1 1 A 115 115 GLU CA C 115 59.031 60.180 -1.149 1 1 1259 . 8 1 1 A 115 115 GLU CB C 115 29.775 28.691 1.084 1 1 1261 . 8 1 1 A 115 115 GLU N N 115 120.522 121.563 -1.041 1 1 1262 . 8 1 1 A 116 116 ALA H H 116 7.895 8.025 -0.130 1 1 1263 . 8 1 1 A 116 116 ALA HA H 116 4.111 4.067 0.044 1 1 1267 . 8 1 1 A 116 116 ALA C C 116 177.610 178.719 -1.109 1 1 1268 . 8 1 1 A 116 116 ALA CA C 116 55.476 54.750 0.726 1 1 1269 . 8 1 1 A 116 116 ALA CB C 116 18.838 18.433 0.405 1 1 1270 . 8 1 1 A 116 116 ALA N N 116 123.100 122.090 1.010 1 1 1271 . 8 1 1 A 117 117 PHE H H 117 8.161 7.626 0.535 1 1 1272 . 8 1 1 A 117 117 PHE HA H 117 4.262 4.393 -0.131 1 1 1277 . 8 1 1 A 117 117 PHE C C 117 175.353 175.520 -0.167 1 1 1278 . 8 1 1 A 117 117 PHE CA C 117 56.843 57.381 -0.538 1 1 1279 . 8 1 1 A 117 117 PHE CB C 117 38.251 38.783 -0.532 1 1 1280 . 8 1 1 A 117 117 PHE N N 117 113.432 112.686 0.746 1 1 1281 . 8 1 1 A 118 118 GLY H H 118 7.685 7.872 -0.187 1 1 1282 . 8 1 1 A 118 118 GLY HA2 H 118 3.544 4.026 -0.482 1 1 1283 . 8 1 1 A 118 118 GLY HA3 H 118 4.362 4.047 0.315 1 1 1284 . 8 1 1 A 118 118 GLY C C 118 174.901 175.354 -0.453 1 1 1285 . 8 1 1 A 118 118 GLY CA C 118 47.274 46.376 0.898 1 1 1286 . 8 1 1 A 118 118 GLY N N 118 112.143 108.261 3.882 1 1 1287 . 8 1 1 A 119 119 VAL H H 119 8.380 8.161 0.219 1 1 1288 . 8 1 1 A 119 119 VAL HA H 119 4.788 4.300 0.488 1 1 1296 . 8 1 1 A 119 119 VAL C C 119 174.901 176.070 -1.169 1 1 1297 . 8 1 1 A 119 119 VAL CA C 119 59.532 63.965 -4.433 1 1 1298 . 8 1 1 A 119 119 VAL CB C 119 32.509 32.100 0.409 1 1 1301 . 8 1 1 A 119 119 VAL N N 119 102.475 118.863 -16.388 1 1 1302 . 8 1 1 A 120 120 TYR H H 120 6.841 7.622 -0.781 1 1 1303 . 8 1 1 A 120 120 TYR HA H 120 4.484 4.540 -0.056 1 1 1308 . 8 1 1 A 120 120 TYR C C 120 173.443 175.237 -1.794 1 1 1309 . 8 1 1 A 120 120 TYR CA C 120 54.929 58.026 -3.097 1 1 1310 . 8 1 1 A 120 120 TYR CB C 120 37.704 38.825 -1.121 1 1 1311 . 8 1 1 A 120 120 TYR N N 120 124.518 124.955 -0.437 1 1 1312 . 8 1 1 A 121 121 ILE H H 121 9.244 9.033 0.211 1 1 1313 . 8 1 1 A 121 121 ILE HA H 121 4.419 4.015 0.404 1 1 1323 . 8 1 1 A 121 121 ILE C C 121 176.221 176.174 0.047 1 1 1324 . 8 1 1 A 121 121 ILE CA C 121 62.014 61.734 0.280 1 1 1325 . 8 1 1 A 121 121 ILE CB C 121 37.704 36.805 0.899 1 1 1329 . 8 1 1 A 121 121 ILE N N 121 128.772 128.405 0.367 1 1 1330 . 8 1 1 A 122 122 LYS H H 122 9.328 8.486 0.842 1 1 1331 . 8 1 1 A 122 122 LYS HA H 122 3.588 3.535 0.053 1 1 1340 . 8 1 1 A 122 122 LYS C C 122 179.069 177.971 1.098 1 1 1341 . 8 1 1 A 122 122 LYS CA C 122 60.124 59.527 0.597 1 1 1342 . 8 1 1 A 122 122 LYS CB C 122 33.329 32.295 1.034 1 1 1346 . 8 1 1 A 122 122 LYS N N 122 134.955 129.716 5.239 1 1 1347 . 8 1 1 A 123 123 GLU H H 123 10.228 7.604 2.624 1 1 1348 . 8 1 1 A 123 123 GLU HA H 123 3.919 4.129 -0.210 1 1 1353 . 8 1 1 A 123 123 GLU C C 123 176.638 176.557 0.081 1 1 1354 . 8 1 1 A 123 123 GLU CA C 123 61.218 57.531 3.687 1 1 1355 . 8 1 1 A 123 123 GLU CB C 123 29.228 29.575 -0.347 1 1 1357 . 8 1 1 A 123 123 GLU N N 123 115.624 116.919 -1.295 1 1 1358 . 8 1 1 A 124 124 LEU H H 124 6.480 7.398 -0.918 1 1 1359 . 8 1 1 A 124 124 LEU HA H 124 4.464 4.462 0.002 1 1 1369 . 8 1 1 A 124 124 LEU C C 124 175.403 176.651 -1.248 1 1 1370 . 8 1 1 A 124 124 LEU CA C 124 53.562 53.857 -0.295 1 1 1371 . 8 1 1 A 124 124 LEU CB C 124 44.813 44.094 0.719 1 1 1375 . 8 1 1 A 124 124 LEU N N 124 110.434 120.779 -10.345 1 1 1376 . 8 1 1 A 125 125 ARG H H 125 8.701 7.811 0.890 1 1 1377 . 8 1 1 A 125 125 ARG HA H 125 3.783 3.581 0.202 1 1 1380 . 8 1 1 A 125 125 ARG C C 125 173.029 174.861 -1.832 1 1 1381 . 8 1 1 A 125 125 ARG CA C 125 57.664 56.830 0.834 1 1 1382 . 8 1 1 A 125 125 ARG CB C 125 30.965 28.072 2.893 1 1 1383 . 8 1 1 A 125 125 ARG N N 125 121.940 117.845 4.095 1 1 1384 . 8 1 1 A 126 126 LEU H H 126 6.671 7.327 -0.656 1 1 1385 . 8 1 1 A 126 126 LEU HA H 126 4.621 4.719 -0.098 1 1 1395 . 8 1 1 A 126 126 LEU C C 126 174.203 175.564 -1.361 1 1 1396 . 8 1 1 A 126 126 LEU CA C 126 51.922 53.168 -1.246 1 1 1397 . 8 1 1 A 126 126 LEU CB C 126 46.727 45.281 1.446 1 1 1401 . 8 1 1 A 126 126 LEU N N 126 111.885 120.351 -8.466 1 1 1402 . 8 1 1 A 127 127 LEU H H 127 8.447 8.717 -0.270 1 1 1403 . 8 1 1 A 127 127 LEU HA H 127 5.153 4.815 0.338 1 1 1413 . 8 1 1 A 127 127 LEU C C 127 175.145 176.538 -1.393 1 1 1414 . 8 1 1 A 127 127 LEU CA C 127 52.742 54.090 -1.348 1 1 1415 . 8 1 1 A 127 127 LEU CB C 127 43.172 42.430 0.742 1 1 1419 . 8 1 1 A 127 127 LEU N N 127 118.983 121.710 -2.727 1 1 1420 . 8 1 1 A 128 128 ALA H H 128 9.160 8.783 0.377 1 1 1421 . 8 1 1 A 128 128 ALA HA H 128 3.843 4.397 -0.554 1 1 1425 . 8 1 1 A 128 128 ALA C C 128 176.603 177.241 -0.638 1 1 1426 . 8 1 1 A 128 128 ALA CA C 128 52.469 52.593 -0.124 1 1 1427 . 8 1 1 A 128 128 ALA CB C 128 18.291 19.408 -1.117 1 1 1428 . 8 1 1 A 128 128 ALA N N 128 121.682 127.344 -5.662 1 1 1429 . 8 1 1 A 129 129 ARG H H 129 6.254 8.679 -2.425 1 1 1430 . 8 1 1 A 129 129 ARG HA H 129 4.700 4.667 0.033 1 1 1436 . 8 1 1 A 129 129 ARG C C 129 176.534 175.654 0.880 1 1 1437 . 8 1 1 A 129 129 ARG CA C 129 55.651 57.039 -1.388 1 1 1438 . 8 1 1 A 129 129 ARG CB C 129 29.775 30.728 -0.953 1 1 1441 . 8 1 1 A 129 129 ARG N N 129 120.393 124.135 -3.742 1 1 1442 . 8 1 1 A 130 130 SER H H 130 8.398 8.671 -0.273 1 1 1443 . 8 1 1 A 130 130 SER HA H 130 4.767 4.966 -0.199 1 1 1446 . 8 1 1 A 130 130 SER C C 130 172.957 172.248 0.709 1 1 1447 . 8 1 1 A 130 130 SER CA C 130 57.658 57.198 0.460 1 1 1448 . 8 1 1 A 130 130 SER CB C 130 63.679 66.493 -2.814 1 1 1449 . 8 1 1 A 130 130 SER N N 130 120.264 119.082 1.182 1 1 1450 . 8 1 1 A 131 131 VAL H H 131 7.838 8.094 -0.256 1 1 1451 . 8 1 1 A 131 131 VAL HA H 131 5.086 4.969 0.117 1 1 1459 . 8 1 1 A 131 131 VAL C C 131 172.853 174.170 -1.317 1 1 1460 . 8 1 1 A 131 131 VAL CA C 131 60.746 60.734 0.012 1 1 1461 . 8 1 1 A 131 131 VAL CB C 131 36.610 35.568 1.042 1 1 1464 . 8 1 1 A 131 131 VAL N N 131 118.460 120.548 -2.088 1 1 1465 . 8 1 1 A 132 132 PHE H H 132 9.259 9.326 -0.067 1 1 1466 . 8 1 1 A 132 132 PHE HA H 132 5.583 5.466 0.117 1 1 1470 . 8 1 1 A 132 132 PHE C C 132 174.797 174.931 -0.134 1 1 1471 . 8 1 1 A 132 132 PHE CA C 132 56.296 56.185 0.111 1 1 1472 . 8 1 1 A 132 132 PHE CB C 132 44.539 43.760 0.779 1 1 1473 . 8 1 1 A 132 132 PHE N N 132 121.682 124.979 -3.297 1 1 1474 . 8 1 1 A 133 133 VAL H H 133 8.907 8.869 0.038 1 1 1475 . 8 1 1 A 133 133 VAL HA H 133 5.331 5.109 0.222 1 1 1483 . 8 1 1 A 133 133 VAL C C 133 174.450 175.158 -0.708 1 1 1484 . 8 1 1 A 133 133 VAL CA C 133 61.491 60.729 0.762 1 1 1485 . 8 1 1 A 133 133 VAL CB C 133 34.696 35.722 -1.026 1 1 1488 . 8 1 1 A 133 133 VAL N N 133 119.878 120.636 -0.758 1 1 1489 . 8 1 1 A 134 134 LEU H H 134 9.976 9.224 0.752 1 1 1490 . 8 1 1 A 134 134 LEU HA H 134 5.680 5.302 0.378 1 1 1500 . 8 1 1 A 134 134 LEU C C 134 176.777 175.206 1.571 1 1 1501 . 8 1 1 A 134 134 LEU CA C 134 52.195 53.415 -1.220 1 1 1502 . 8 1 1 A 134 134 LEU CB C 134 44.813 45.917 -1.104 1 1 1506 . 8 1 1 A 134 134 LEU N N 134 129.417 126.596 2.821 1 1 1507 . 8 1 1 A 135 135 ASP H H 135 9.051 9.251 -0.200 1 1 1508 . 8 1 1 A 135 135 ASP HA H 135 4.708 4.734 -0.026 1 1 1511 . 8 1 1 A 135 135 ASP C C 135 177.193 177.287 -0.094 1 1 1512 . 8 1 1 A 135 135 ASP CA C 135 52.276 53.648 -1.372 1 1 1513 . 8 1 1 A 135 135 ASP CB C 135 40.711 42.098 -1.387 1 1 1514 . 8 1 1 A 135 135 ASP N N 135 119.362 124.958 -5.596 1 1 1515 . 8 1 1 A 136 136 GLU H H 136 9.970 8.911 1.059 1 1 1516 . 8 1 1 A 136 136 GLU HA H 136 3.953 4.031 -0.078 1 1 1521 . 8 1 1 A 136 136 GLU C C 136 177.055 177.716 -0.661 1 1 1522 . 8 1 1 A 136 136 GLU CA C 136 58.757 59.402 -0.645 1 1 1523 . 8 1 1 A 136 136 GLU CB C 136 28.681 29.404 -0.723 1 1 1525 . 8 1 1 A 136 136 GLU N N 136 116.011 123.979 -7.968 1 1 1526 . 8 1 1 A 137 137 ASN H H 137 8.514 8.270 0.244 1 1 1527 . 8 1 1 A 137 137 ASN HA H 137 5.026 4.694 0.332 1 1 1532 . 8 1 1 A 137 137 ASN C C 137 175.943 176.483 -0.540 1 1 1533 . 8 1 1 A 137 137 ASN CA C 137 52.753 52.484 0.269 1 1 1534 . 8 1 1 A 137 137 ASN CB C 137 40.164 37.901 2.263 1 1 1535 . 8 1 1 A 137 137 ASN N N 137 117.042 114.016 3.026 1 1 1537 . 8 1 1 A 138 138 GLY H H 138 8.430 8.532 -0.102 1 1 1538 . 8 1 1 A 138 138 GLY HA2 H 138 3.690 4.013 -0.323 1 1 1539 . 8 1 1 A 138 138 GLY HA3 H 138 4.213 4.051 0.162 1 1 1540 . 8 1 1 A 138 138 GLY C C 138 172.436 174.486 -2.050 1 1 1541 . 8 1 1 A 138 138 GLY CA C 138 46.180 44.935 1.245 1 1 1542 . 8 1 1 A 138 138 GLY N N 138 109.565 109.079 0.486 1 1 1543 . 8 1 1 A 139 139 LYS H H 139 8.573 7.967 0.606 1 1 1544 . 8 1 1 A 139 139 LYS HA H 139 4.472 4.255 0.217 1 1 1553 . 8 1 1 A 139 139 LYS C C 139 176.742 175.763 0.979 1 1 1554 . 8 1 1 A 139 139 LYS CA C 139 56.195 56.452 -0.257 1 1 1555 . 8 1 1 A 139 139 LYS CB C 139 32.782 32.962 -0.180 1 1 1559 . 8 1 1 A 139 139 LYS N N 139 123.358 122.195 1.163 1 1 1560 . 8 1 1 A 140 140 VAL H H 140 9.102 8.617 0.485 1 1 1561 . 8 1 1 A 140 140 VAL HA H 140 4.293 4.512 -0.219 1 1 1569 . 8 1 1 A 140 140 VAL C C 140 177.124 176.598 0.526 1 1 1570 . 8 1 1 A 140 140 VAL CA C 140 63.952 62.429 1.523 1 1 1571 . 8 1 1 A 140 140 VAL CB C 140 31.142 32.420 -1.278 1 1 1574 . 8 1 1 A 140 140 VAL N N 140 125.292 124.787 0.505 1 1 1575 . 8 1 1 A 141 141 VAL H H 141 9.332 9.408 -0.076 1 1 1576 . 8 1 1 A 141 141 VAL HA H 141 4.670 4.511 0.159 1 1 1584 . 8 1 1 A 141 141 VAL C C 141 175.249 175.386 -0.137 1 1 1585 . 8 1 1 A 141 141 VAL CA C 141 61.491 62.068 -0.577 1 1 1586 . 8 1 1 A 141 141 VAL CB C 141 32.509 33.168 -0.659 1 1 1589 . 8 1 1 A 141 141 VAL N N 141 124.261 122.304 1.957 1 1 1590 . 8 1 1 A 142 142 TYR H H 142 7.959 7.504 0.455 1 1 1591 . 8 1 1 A 142 142 TYR HA H 142 4.389 4.811 -0.422 1 1 1596 . 8 1 1 A 142 142 TYR C C 142 172.262 173.462 -1.200 1 1 1597 . 8 1 1 A 142 142 TYR CA C 142 58.757 58.259 0.498 1 1 1598 . 8 1 1 A 142 142 TYR CB C 142 41.805 41.670 0.135 1 1 1599 . 8 1 1 A 142 142 TYR N N 142 122.198 122.935 -0.737 1 1 1600 . 8 1 1 A 143 143 ALA H H 143 7.642 7.858 -0.216 1 1 1601 . 8 1 1 A 143 143 ALA HA H 143 4.883 5.115 -0.232 1 1 1605 . 8 1 1 A 143 143 ALA C C 143 175.353 175.171 0.182 1 1 1606 . 8 1 1 A 143 143 ALA CA C 143 51.703 51.467 0.236 1 1 1607 . 8 1 1 A 143 143 ALA CB C 143 22.666 22.620 0.046 1 1 1608 . 8 1 1 A 143 143 ALA N N 143 129.804 128.168 1.636 1 1 1609 . 8 1 1 A 144 144 GLU H H 144 8.292 8.641 -0.349 1 1 1610 . 8 1 1 A 144 144 GLU HA H 144 4.297 4.874 -0.577 1 1 1615 . 8 1 1 A 144 144 GLU C C 144 173.860 174.032 -0.172 1 1 1616 . 8 1 1 A 144 144 GLU CA C 144 56.296 55.289 1.007 1 1 1617 . 8 1 1 A 144 144 GLU CB C 144 32.509 33.762 -1.253 1 1 1619 . 8 1 1 A 144 144 GLU N N 144 122.198 121.557 0.641 1 1 1620 . 8 1 1 A 145 145 TYR H H 145 9.006 9.030 -0.024 1 1 1621 . 8 1 1 A 145 145 TYR HA H 145 4.125 5.070 -0.945 1 1 1626 . 8 1 1 A 145 145 TYR C C 145 175.164 175.260 -0.096 1 1 1627 . 8 1 1 A 145 145 TYR CA C 145 57.117 56.723 0.394 1 1 1628 . 8 1 1 A 145 145 TYR CB C 145 38.251 40.330 -2.079 1 1 1629 . 8 1 1 A 145 145 TYR N N 145 128.128 123.942 4.186 1 1 1630 . 8 1 1 A 146 146 VAL H H 146 7.441 8.716 -1.275 1 1 1631 . 8 1 1 A 146 146 VAL HA H 146 3.672 4.067 -0.395 1 1 1639 . 8 1 1 A 146 146 VAL C C 146 176.777 176.594 0.183 1 1 1640 . 8 1 1 A 146 146 VAL CA C 146 64.226 63.721 0.505 1 1 1641 . 8 1 1 A 146 146 VAL CB C 146 30.868 32.031 -1.163 1 1 1644 . 8 1 1 A 146 146 VAL N N 146 125.808 126.374 -0.566 1 1 1645 . 8 1 1 A 147 147 SER H H 147 8.359 8.628 -0.269 1 1 1646 . 8 1 1 A 147 147 SER HA H 147 4.007 4.331 -0.324 1 1 1649 . 8 1 1 A 147 147 SER C C 147 172.123 174.581 -2.458 1 1 1650 . 8 1 1 A 147 147 SER CA C 147 63.132 61.096 2.036 1 1 1651 . 8 1 1 A 147 147 SER CB C 147 62.859 63.152 -0.293 1 1 1652 . 8 1 1 A 147 147 SER N N 147 121.425 121.257 0.168 1 1 1653 . 8 1 1 A 148 148 GLU H H 148 7.177 7.968 -0.791 1 1 1654 . 8 1 1 A 148 148 GLU HA H 148 5.055 4.930 0.125 1 1 1659 . 8 1 1 A 148 148 GLU C C 148 176.082 176.359 -0.277 1 1 1660 . 8 1 1 A 148 148 GLU CA C 148 52.563 55.422 -2.859 1 1 1661 . 8 1 1 A 148 148 GLU CB C 148 29.774 32.020 -2.246 1 1 1663 . 8 1 1 A 148 148 GLU N N 148 119.620 120.491 -0.871 1 1 1664 . 8 1 1 A 149 149 ALA H H 149 9.142 9.386 -0.244 1 1 1665 . 8 1 1 A 149 149 ALA HA H 149 4.704 4.049 0.655 1 1 1669 . 8 1 1 A 149 149 ALA C C 149 177.437 178.722 -1.285 1 1 1670 . 8 1 1 A 149 149 ALA CA C 149 54.466 55.356 -0.890 1 1 1671 . 8 1 1 A 149 149 ALA CB C 149 19.111 18.653 0.458 1 1 1672 . 8 1 1 A 149 149 ALA N N 149 127.741 129.530 -1.789 1 1 1673 . 8 1 1 A 150 150 THR H H 150 8.200 7.537 0.663 1 1 1674 . 8 1 1 A 150 150 THR HA H 150 4.393 4.334 0.059 1 1 1679 . 8 1 1 A 150 150 THR C C 150 174.554 173.606 0.948 1 1 1680 . 8 1 1 A 150 150 THR CA C 150 62.312 62.534 -0.222 1 1 1681 . 8 1 1 A 150 150 THR CB C 150 69.694 69.107 0.587 1 1 1683 . 8 1 1 A 150 150 THR N N 150 104.453 106.559 -2.106 1 1 1684 . 8 1 1 A 151 151 ASN H H 151 7.984 7.337 0.647 1 1 1685 . 8 1 1 A 151 151 ASN HA H 151 4.947 4.863 0.084 1 1 1690 . 8 1 1 A 151 151 ASN C C 151 174.554 173.490 1.064 1 1 1691 . 8 1 1 A 151 151 ASN CA C 151 51.135 51.732 -0.597 1 1 1692 . 8 1 1 A 151 151 ASN CB C 151 39.344 42.542 -3.198 1 1 1693 . 8 1 1 A 151 151 ASN N N 151 123.487 120.370 3.117 1 1 1695 . 8 1 1 A 152 152 HIS H H 152 8.160 8.748 -0.588 1 1 1696 . 8 1 1 A 152 152 HIS HA H 152 4.731 5.506 -0.775 1 1 1700 . 8 1 1 A 152 152 HIS C C 152 174.381 173.107 1.274 1 1 1701 . 8 1 1 A 152 152 HIS CA C 152 54.854 53.225 1.629 1 1 1702 . 8 1 1 A 152 152 HIS CB C 152 31.415 33.165 -1.750 1 1 1703 . 8 1 1 A 152 152 HIS N N 152 116.139 116.467 -0.328 1 1 1704 . 8 1 1 A 153 153 PRO HA H 153 4.335 4.592 -0.257 1 1 1709 . 8 1 1 A 153 153 PRO C C 153 173.894 176.208 -2.314 1 1 1710 . 8 1 1 A 153 153 PRO CA C 153 61.491 62.203 -0.712 1 1 1711 . 8 1 1 A 153 153 PRO CB C 153 32.782 32.788 -0.006 1 1 1714 . 8 1 1 A 154 154 ASN H H 154 9.511 8.624 0.887 1 1 1715 . 8 1 1 A 154 154 ASN HA H 154 4.306 4.672 -0.366 1 1 1720 . 8 1 1 A 154 154 ASN C C 154 176.568 176.083 0.485 1 1 1721 . 8 1 1 A 154 154 ASN CA C 154 54.656 52.938 1.718 1 1 1722 . 8 1 1 A 154 154 ASN CB C 154 39.071 39.282 -0.211 1 1 1723 . 8 1 1 A 154 154 ASN N N 154 118.718 119.550 -0.832 1 1 1725 . 8 1 1 A 155 155 TYR H H 155 8.691 8.202 0.489 1 1 1726 . 8 1 1 A 155 155 TYR HA H 155 4.364 4.435 -0.071 1 1 1731 . 8 1 1 A 155 155 TYR C C 155 176.256 176.499 -0.243 1 1 1732 . 8 1 1 A 155 155 TYR CA C 155 59.304 56.961 2.343 1 1 1733 . 8 1 1 A 155 155 TYR CB C 155 39.344 39.125 0.219 1 1 1734 . 8 1 1 A 155 155 TYR N N 155 125.421 123.826 1.595 1 1 1735 . 8 1 1 A 156 156 GLU H H 156 8.200 8.026 0.174 1 1 1736 . 8 1 1 A 156 156 GLU HA H 156 4.415 4.057 0.358 1 1 1741 . 8 1 1 A 156 156 GLU C C 156 178.583 179.225 -0.642 1 1 1742 . 8 1 1 A 156 156 GLU CA C 156 58.757 59.361 -0.604 1 1 1743 . 8 1 1 A 156 156 GLU CB C 156 30.868 29.431 1.437 1 1 1745 . 8 1 1 A 156 156 GLU N N 156 119.878 121.648 -1.770 1 1 1746 . 8 1 1 A 157 157 LYS H H 157 8.718 7.663 1.055 1 1 1747 . 8 1 1 A 157 157 LYS HA H 157 4.095 3.987 0.108 1 1 1756 . 8 1 1 A 157 157 LYS C C 157 176.152 175.500 0.652 1 1 1757 . 8 1 1 A 157 157 LYS CA C 157 60.398 61.294 -0.896 1 1 1758 . 8 1 1 A 157 157 LYS CB C 157 30.595 30.871 -0.276 1 1 1762 . 8 1 1 A 157 157 LYS N N 157 121.167 119.434 1.733 1 1 1763 . 8 1 1 A 158 158 PRO HA H 158 3.116 3.902 -0.786 1 1 1770 . 8 1 1 A 158 158 PRO C C 158 177.853 179.375 -1.522 1 1 1771 . 8 1 1 A 158 158 PRO CA C 158 65.319 65.020 0.299 1 1 1772 . 8 1 1 A 158 158 PRO CB C 158 30.595 30.351 0.244 1 1 1775 . 8 1 1 A 159 159 ILE H H 159 6.215 7.078 -0.863 1 1 1776 . 8 1 1 A 159 159 ILE HA H 159 3.594 3.894 -0.300 1 1 1786 . 8 1 1 A 159 159 ILE C C 159 177.610 177.743 -0.133 1 1 1787 . 8 1 1 A 159 159 ILE CA C 159 62.312 64.402 -2.090 1 1 1788 . 8 1 1 A 159 159 ILE CB C 159 35.516 37.978 -2.462 1 1 1792 . 8 1 1 A 159 159 ILE N N 159 113.948 116.265 -2.317 1 1 1793 . 8 1 1 A 160 160 GLU H H 160 7.572 8.570 -0.998 1 1 1794 . 8 1 1 A 160 160 GLU HA H 160 3.876 4.026 -0.150 1 1 1799 . 8 1 1 A 160 160 GLU C C 160 179.277 179.446 -0.169 1 1 1800 . 8 1 1 A 160 160 GLU CA C 160 59.304 59.847 -0.543 1 1 1801 . 8 1 1 A 160 160 GLU CB C 160 29.774 28.935 0.839 1 1 1803 . 8 1 1 A 160 160 GLU N N 160 119.104 120.196 -1.092 1 1 1804 . 8 1 1 A 161 161 ALA H H 161 7.902 8.076 -0.174 1 1 1805 . 8 1 1 A 161 161 ALA HA H 161 4.137 4.197 -0.060 1 1 1809 . 8 1 1 A 161 161 ALA C C 161 179.485 180.105 -0.620 1 1 1810 . 8 1 1 A 161 161 ALA CA C 161 54.656 55.089 -0.433 1 1 1811 . 8 1 1 A 161 161 ALA CB C 161 18.017 17.942 0.075 1 1 1812 . 8 1 1 A 161 161 ALA N N 161 120.393 123.283 -2.890 1 1 1813 . 8 1 1 A 162 162 ALA H H 162 7.734 7.995 -0.261 1 1 1814 . 8 1 1 A 162 162 ALA HA H 162 3.950 4.100 -0.150 1 1 1818 . 8 1 1 A 162 162 ALA C C 162 179.485 179.826 -0.341 1 1 1819 . 8 1 1 A 162 162 ALA CA C 162 54.656 55.290 -0.634 1 1 1820 . 8 1 1 A 162 162 ALA CB C 162 19.111 18.218 0.893 1 1 1821 . 8 1 1 A 162 162 ALA N N 162 118.202 120.868 -2.666 1 1 1822 . 8 1 1 A 163 163 LYS H H 163 8.760 8.453 0.307 1 1 1823 . 8 1 1 A 163 163 LYS HA H 163 3.842 3.990 -0.148 1 1 1832 . 8 1 1 A 163 163 LYS C C 163 178.201 179.475 -1.274 1 1 1833 . 8 1 1 A 163 163 LYS CA C 163 59.578 59.285 0.293 1 1 1834 . 8 1 1 A 163 163 LYS CB C 163 32.782 32.148 0.634 1 1 1838 . 8 1 1 A 163 163 LYS N N 163 118.202 117.026 1.176 1 1 1839 . 8 1 1 A 164 164 ALA H H 164 7.216 8.416 -1.200 1 1 1840 . 8 1 1 A 164 164 ALA HA H 164 4.215 4.108 0.107 1 1 1844 . 8 1 1 A 164 164 ALA C C 164 178.339 179.924 -1.585 1 1 1845 . 8 1 1 A 164 164 ALA CA C 164 53.836 54.896 -1.060 1 1 1846 . 8 1 1 A 164 164 ALA CB C 164 18.291 18.452 -0.161 1 1 1847 . 8 1 1 A 164 164 ALA N N 164 117.557 121.855 -4.298 1 1 1848 . 8 1 1 A 165 165 LEU H H 165 7.503 7.829 -0.326 1 1 1849 . 8 1 1 A 165 165 LEU HA H 165 4.432 4.158 0.274 1 1 1859 . 8 1 1 A 165 165 LEU C C 165 177.714 178.877 -1.163 1 1 1860 . 8 1 1 A 165 165 LEU CA C 165 54.929 57.448 -2.519 1 1 1861 . 8 1 1 A 165 165 LEU CB C 165 44.256 42.201 2.055 1 1 1865 . 8 1 1 A 165 165 LEU N N 165 115.753 120.230 -4.477 1 1 1866 . 8 1 1 A 166 166 VAL H H 166 7.337 8.256 -0.919 1 1 1867 . 8 1 1 A 166 166 VAL HA H 166 4.103 3.558 0.545 1 1 1875 . 8 1 1 A 166 166 VAL C C 166 175.040 178.155 -3.115 1 1 1876 . 8 1 1 A 166 166 VAL CA C 166 62.859 66.635 -3.776 1 1 1877 . 8 1 1 A 166 166 VAL CB C 166 32.509 31.740 0.769 1 1 1880 . 8 1 1 A 166 166 VAL N N 166 118.589 118.488 0.101 1 1 1 . 9 1 1 A 2 2 ALA HA H 2 3.876 4.425 -0.549 1 1 5 . 9 1 1 A 2 2 ALA C C 2 172.590 176.184 -3.594 1 1 6 . 9 1 1 A 2 2 ALA CA C 2 51.922 51.354 0.568 1 1 7 . 9 1 1 A 2 2 ALA CB C 2 18.924 20.456 -1.532 1 1 8 . 9 1 1 A 3 3 GLU H H 3 8.262 7.919 0.343 1 1 9 . 9 1 1 A 3 3 GLU HA H 3 4.641 4.799 -0.158 1 1 14 . 9 1 1 A 3 3 GLU C C 3 175.157 174.137 1.020 1 1 15 . 9 1 1 A 3 3 GLU CA C 3 55.476 55.014 0.462 1 1 16 . 9 1 1 A 3 3 GLU CB C 3 31.142 32.783 -1.641 1 1 18 . 9 1 1 A 3 3 GLU N N 3 121.167 116.485 4.682 1 1 19 . 9 1 1 A 4 4 ILE H H 4 9.053 8.674 0.379 1 1 20 . 9 1 1 A 4 4 ILE HA H 4 5.361 5.007 0.354 1 1 30 . 9 1 1 A 4 4 ILE C C 4 175.817 174.661 1.156 1 1 31 . 9 1 1 A 4 4 ILE CA C 4 59.304 59.106 0.198 1 1 32 . 9 1 1 A 4 4 ILE CB C 4 42.079 42.657 -0.578 1 1 36 . 9 1 1 A 4 4 ILE N N 4 124.776 115.317 9.459 1 1 37 . 9 1 1 A 5 5 THR H H 5 8.977 8.410 0.567 1 1 38 . 9 1 1 A 5 5 THR HA H 5 5.141 5.442 -0.301 1 1 43 . 9 1 1 A 5 5 THR C C 5 173.483 173.148 0.335 1 1 44 . 9 1 1 A 5 5 THR CA C 5 59.304 61.292 -1.988 1 1 45 . 9 1 1 A 5 5 THR CB C 5 73.249 72.003 1.246 1 1 47 . 9 1 1 A 5 5 THR N N 5 112.659 116.072 -3.413 1 1 48 . 9 1 1 A 6 6 PHE H H 6 9.173 9.405 -0.232 1 1 49 . 9 1 1 A 6 6 PHE HA H 6 4.866 4.966 -0.100 1 1 53 . 9 1 1 A 6 6 PHE C C 6 175.591 174.728 0.863 1 1 54 . 9 1 1 A 6 6 PHE CA C 6 58.054 57.404 0.650 1 1 55 . 9 1 1 A 6 6 PHE CB C 6 42.625 42.503 0.122 1 1 56 . 9 1 1 A 6 6 PHE N N 6 119.362 125.626 -6.264 1 1 57 . 9 1 1 A 7 7 LYS H H 7 11.130 9.472 1.658 1 1 58 . 9 1 1 A 7 7 LYS HA H 7 3.567 3.733 -0.166 1 1 67 . 9 1 1 A 7 7 LYS C C 7 177.661 176.781 0.880 1 1 68 . 9 1 1 A 7 7 LYS CA C 7 57.390 57.064 0.326 1 1 69 . 9 1 1 A 7 7 LYS CB C 7 29.222 29.706 -0.484 1 1 73 . 9 1 1 A 7 7 LYS N N 7 134.058 128.484 5.574 1 1 74 . 9 1 1 A 8 8 GLY H H 8 8.965 8.630 0.335 1 1 75 . 9 1 1 A 8 8 GLY HA2 H 8 4.244 3.859 0.385 1 1 76 . 9 1 1 A 8 8 GLY HA3 H 8 3.528 3.867 -0.339 1 1 77 . 9 1 1 A 8 8 GLY C C 8 173.822 174.431 -0.609 1 1 78 . 9 1 1 A 8 8 GLY CA C 8 45.360 45.798 -0.438 1 1 79 . 9 1 1 A 8 8 GLY N N 8 104.280 104.618 -0.338 1 1 80 . 9 1 1 A 9 9 GLY H H 9 7.942 8.085 -0.143 1 1 81 . 9 1 1 A 9 9 GLY HA2 H 9 4.815 4.302 0.513 1 1 82 . 9 1 1 A 9 9 GLY HA3 H 9 3.715 4.324 -0.609 1 1 83 . 9 1 1 A 9 9 GLY C C 9 171.262 173.002 -1.740 1 1 84 . 9 1 1 A 9 9 GLY CA C 9 43.172 44.765 -1.593 1 1 85 . 9 1 1 A 9 9 GLY N N 9 109.823 107.797 2.026 1 1 86 . 9 1 1 A 10 10 PRO HA H 10 4.640 4.560 0.080 1 1 93 . 9 1 1 A 10 10 PRO C C 10 177.097 176.424 0.673 1 1 94 . 9 1 1 A 10 10 PRO CA C 10 63.952 63.120 0.832 1 1 95 . 9 1 1 A 10 10 PRO CB C 10 32.509 32.403 0.106 1 1 98 . 9 1 1 A 11 11 VAL H H 11 7.770 8.291 -0.521 1 1 99 . 9 1 1 A 11 11 VAL HA H 11 4.632 4.913 -0.281 1 1 107 . 9 1 1 A 11 11 VAL C C 11 174.462 174.507 -0.045 1 1 108 . 9 1 1 A 11 11 VAL CA C 11 59.304 59.395 -0.091 1 1 109 . 9 1 1 A 11 11 VAL CB C 11 35.516 35.414 0.102 1 1 112 . 9 1 1 A 11 11 VAL N N 11 115.495 116.714 -1.219 1 1 113 . 9 1 1 A 12 12 THR H H 12 10.773 9.020 1.753 1 1 114 . 9 1 1 A 12 12 THR HA H 12 4.425 4.533 -0.108 1 1 119 . 9 1 1 A 12 12 THR C C 12 173.505 173.901 -0.396 1 1 120 . 9 1 1 A 12 12 THR CA C 12 62.312 62.204 0.108 1 1 121 . 9 1 1 A 12 12 THR CB C 12 69.694 69.819 -0.125 1 1 123 . 9 1 1 A 12 12 THR N N 12 121.940 120.463 1.477 1 1 124 . 9 1 1 A 13 13 LEU H H 13 8.524 8.609 -0.085 1 1 125 . 9 1 1 A 13 13 LEU HA H 13 5.132 5.050 0.082 1 1 135 . 9 1 1 A 13 13 LEU C C 13 177.285 177.070 0.215 1 1 136 . 9 1 1 A 13 13 LEU CA C 13 53.289 53.194 0.095 1 1 137 . 9 1 1 A 13 13 LEU CB C 13 42.352 44.680 -2.328 1 1 141 . 9 1 1 A 13 13 LEU N N 13 125.550 124.166 1.384 1 1 142 . 9 1 1 A 14 14 VAL H H 14 8.962 8.863 0.099 1 1 143 . 9 1 1 A 14 14 VAL HA H 14 3.859 3.611 0.248 1 1 151 . 9 1 1 A 14 14 VAL C C 14 174.604 177.687 -3.083 1 1 152 . 9 1 1 A 14 14 VAL CA C 14 62.312 66.232 -3.920 1 1 153 . 9 1 1 A 14 14 VAL CB C 14 32.509 31.926 0.583 1 1 156 . 9 1 1 A 14 14 VAL N N 14 126.968 121.828 5.140 1 1 157 . 9 1 1 A 15 15 GLY H H 15 7.838 7.917 -0.079 1 1 158 . 9 1 1 A 15 15 GLY HA2 H 15 5.132 3.987 1.145 1 1 159 . 9 1 1 A 15 15 GLY HA3 H 15 3.730 4.003 -0.273 1 1 160 . 9 1 1 A 15 15 GLY C C 15 174.542 174.162 0.380 1 1 161 . 9 1 1 A 15 15 GLY CA C 15 43.446 45.492 -2.046 1 1 162 . 9 1 1 A 15 15 GLY N N 15 110.596 109.308 1.288 1 1 163 . 9 1 1 A 16 16 GLN H H 16 8.247 7.511 0.736 1 1 164 . 9 1 1 A 16 16 GLN HA H 16 4.347 4.070 0.277 1 1 171 . 9 1 1 A 16 16 GLN C C 16 174.876 175.808 -0.932 1 1 172 . 9 1 1 A 16 16 GLN CA C 16 54.656 55.766 -1.110 1 1 173 . 9 1 1 A 16 16 GLN CB C 16 30.321 29.367 0.954 1 1 175 . 9 1 1 A 16 16 GLN N N 16 120.522 118.492 2.030 1 1 177 . 9 1 1 A 17 17 GLU H H 17 8.149 8.596 -0.447 1 1 178 . 9 1 1 A 17 17 GLU HA H 17 3.938 3.989 -0.051 1 1 183 . 9 1 1 A 17 17 GLU C C 17 176.607 175.769 0.838 1 1 184 . 9 1 1 A 17 17 GLU CA C 17 57.117 57.692 -0.575 1 1 185 . 9 1 1 A 17 17 GLU CB C 17 30.321 29.225 1.096 1 1 187 . 9 1 1 A 17 17 GLU N N 17 123.616 119.991 3.625 1 1 188 . 9 1 1 A 18 18 VAL H H 18 8.605 8.195 0.410 1 1 189 . 9 1 1 A 18 18 VAL HA H 18 4.047 4.031 0.016 1 1 197 . 9 1 1 A 18 18 VAL C C 18 174.386 175.652 -1.266 1 1 198 . 9 1 1 A 18 18 VAL CA C 18 61.765 63.532 -1.767 1 1 199 . 9 1 1 A 18 18 VAL CB C 18 32.782 32.188 0.594 1 1 202 . 9 1 1 A 18 18 VAL N N 18 125.936 120.566 5.370 1 1 203 . 9 1 1 A 19 19 LYS H H 19 8.461 8.777 -0.316 1 1 204 . 9 1 1 A 19 19 LYS HA H 19 4.624 4.898 -0.274 1 1 213 . 9 1 1 A 19 19 LYS C C 19 176.457 174.707 1.750 1 1 214 . 9 1 1 A 19 19 LYS CA C 19 53.562 54.498 -0.936 1 1 215 . 9 1 1 A 19 19 LYS CB C 19 34.423 35.792 -1.369 1 1 219 . 9 1 1 A 19 19 LYS N N 19 123.874 122.642 1.232 1 1 220 . 9 1 1 A 20 20 VAL H H 20 8.349 8.431 -0.082 1 1 221 . 9 1 1 A 20 20 VAL HA H 20 3.421 3.925 -0.504 1 1 229 . 9 1 1 A 20 20 VAL C C 20 177.624 176.968 0.656 1 1 230 . 9 1 1 A 20 20 VAL CA C 20 65.593 63.476 2.117 1 1 231 . 9 1 1 A 20 20 VAL CB C 20 31.415 31.521 -0.106 1 1 234 . 9 1 1 A 20 20 VAL N N 20 120.393 122.241 -1.848 1 1 235 . 9 1 1 A 21 21 GLY H H 21 9.338 9.364 -0.026 1 1 236 . 9 1 1 A 21 21 GLY HA2 H 21 4.566 4.041 0.525 1 1 237 . 9 1 1 A 21 21 GLY HA3 H 21 3.536 4.049 -0.513 1 1 238 . 9 1 1 A 21 21 GLY C C 21 174.160 174.665 -0.505 1 1 239 . 9 1 1 A 21 21 GLY CA C 21 44.539 45.526 -0.987 1 1 240 . 9 1 1 A 21 21 GLY N N 21 117.429 117.499 -0.070 1 1 241 . 9 1 1 A 22 22 ASP H H 22 8.222 7.977 0.245 1 1 242 . 9 1 1 A 22 22 ASP HA H 22 4.650 4.543 0.107 1 1 245 . 9 1 1 A 22 22 ASP C C 22 176.231 175.808 0.423 1 1 246 . 9 1 1 A 22 22 ASP CA C 22 54.382 55.333 -0.951 1 1 247 . 9 1 1 A 22 22 ASP CB C 22 40.985 41.495 -0.510 1 1 248 . 9 1 1 A 22 22 ASP N N 22 121.811 121.546 0.265 1 1 249 . 9 1 1 A 23 23 GLN H H 23 8.598 8.027 0.571 1 1 250 . 9 1 1 A 23 23 GLN HA H 23 4.224 4.344 -0.120 1 1 257 . 9 1 1 A 23 23 GLN C C 23 175.892 174.660 1.232 1 1 258 . 9 1 1 A 23 23 GLN CA C 23 55.203 58.228 -3.025 1 1 259 . 9 1 1 A 23 23 GLN CB C 23 28.954 27.816 1.138 1 1 261 . 9 1 1 A 23 23 GLN N N 23 119.491 117.133 2.358 1 1 263 . 9 1 1 A 24 24 ALA H H 24 8.664 8.511 0.153 1 1 264 . 9 1 1 A 24 24 ALA HA H 24 4.030 4.675 -0.645 1 1 268 . 9 1 1 A 24 24 ALA C C 24 174.386 176.917 -2.531 1 1 269 . 9 1 1 A 24 24 ALA CA C 24 51.101 49.483 1.618 1 1 270 . 9 1 1 A 24 24 ALA CB C 24 19.111 21.692 -2.581 1 1 271 . 9 1 1 A 24 24 ALA N N 24 129.804 123.168 6.636 1 1 272 . 9 1 1 A 25 25 PRO HA H 25 4.422 4.507 -0.085 1 1 279 . 9 1 1 A 25 25 PRO C C 25 173.596 176.315 -2.719 1 1 280 . 9 1 1 A 25 25 PRO CA C 25 61.765 64.506 -2.741 1 1 281 . 9 1 1 A 25 25 PRO CB C 25 32.509 32.184 0.325 1 1 284 . 9 1 1 A 26 26 ASP H H 26 7.546 8.012 -0.466 1 1 285 . 9 1 1 A 26 26 ASP HA H 26 4.411 4.618 -0.207 1 1 288 . 9 1 1 A 26 26 ASP C C 26 175.591 173.965 1.626 1 1 289 . 9 1 1 A 26 26 ASP CA C 26 54.656 54.187 0.469 1 1 290 . 9 1 1 A 26 26 ASP CB C 26 42.625 43.784 -1.159 1 1 291 . 9 1 1 A 26 26 ASP N N 26 114.979 117.532 -2.553 1 1 292 . 9 1 1 A 27 27 PHE H H 27 7.379 8.462 -1.083 1 1 293 . 9 1 1 A 27 27 PHE HA H 27 4.659 5.533 -0.874 1 1 295 . 9 1 1 A 27 27 PHE C C 27 173.407 173.206 0.201 1 1 296 . 9 1 1 A 27 27 PHE CA C 27 56.570 55.674 0.896 1 1 297 . 9 1 1 A 27 27 PHE CB C 27 39.891 42.510 -2.619 1 1 298 . 9 1 1 A 27 27 PHE N N 27 113.561 120.228 -6.667 1 1 299 . 9 1 1 A 28 28 THR H H 28 8.540 8.808 -0.268 1 1 300 . 9 1 1 A 28 28 THR HA H 28 4.936 5.473 -0.537 1 1 305 . 9 1 1 A 28 28 THR C C 28 173.443 173.951 -0.508 1 1 306 . 9 1 1 A 28 28 THR CA C 28 62.889 61.545 1.344 1 1 307 . 9 1 1 A 28 28 THR CB C 28 72.155 71.988 0.167 1 1 309 . 9 1 1 A 28 28 THR N N 28 114.593 114.507 0.086 1 1 310 . 9 1 1 A 29 29 VAL H H 29 9.120 9.270 -0.150 1 1 311 . 9 1 1 A 29 29 VAL HA H 29 4.863 5.073 -0.210 1 1 319 . 9 1 1 A 29 29 VAL C C 29 173.558 174.568 -1.010 1 1 320 . 9 1 1 A 29 29 VAL CA C 29 59.527 59.308 0.219 1 1 321 . 9 1 1 A 29 29 VAL CB C 29 35.243 36.314 -1.071 1 1 324 . 9 1 1 A 29 29 VAL N N 29 119.233 119.203 0.030 1 1 325 . 9 1 1 A 30 30 LEU H H 30 8.565 8.915 -0.350 1 1 326 . 9 1 1 A 30 30 LEU HA H 30 5.615 5.347 0.268 1 1 336 . 9 1 1 A 30 30 LEU C C 30 180.310 176.993 3.317 1 1 337 . 9 1 1 A 30 30 LEU CA C 30 53.562 53.129 0.433 1 1 338 . 9 1 1 A 30 30 LEU CB C 30 47.547 44.457 3.090 1 1 342 . 9 1 1 A 30 30 LEU N N 30 117.429 122.109 -4.680 1 1 343 . 9 1 1 A 31 31 THR H H 31 9.587 8.805 0.782 1 1 344 . 9 1 1 A 31 31 THR HA H 31 4.741 4.445 0.296 1 1 349 . 9 1 1 A 31 31 THR C C 31 176.457 176.285 0.172 1 1 350 . 9 1 1 A 31 31 THR CA C 31 60.632 60.709 -0.077 1 1 351 . 9 1 1 A 31 31 THR CB C 31 71.451 71.275 0.176 1 1 353 . 9 1 1 A 31 31 THR N N 31 114.721 115.367 -0.646 1 1 354 . 9 1 1 A 32 32 ASN H H 32 9.812 9.146 0.666 1 1 355 . 9 1 1 A 32 32 ASN HA H 32 4.352 4.297 0.055 1 1 358 . 9 1 1 A 32 32 ASN C C 32 175.252 176.377 -1.125 1 1 359 . 9 1 1 A 32 32 ASN CA C 32 55.476 55.466 0.010 1 1 360 . 9 1 1 A 32 32 ASN CB C 32 38.524 37.272 1.252 1 1 361 . 9 1 1 A 32 32 ASN N N 32 118.460 119.660 -1.200 1 1 362 . 9 1 1 A 33 33 SER H H 33 7.782 7.733 0.049 1 1 363 . 9 1 1 A 33 33 SER HA H 33 4.562 4.565 -0.003 1 1 366 . 9 1 1 A 33 33 SER C C 33 173.822 173.429 0.393 1 1 367 . 9 1 1 A 33 33 SER CA C 33 57.390 58.281 -0.891 1 1 368 . 9 1 1 A 33 33 SER CB C 33 62.859 63.321 -0.462 1 1 369 . 9 1 1 A 33 33 SER N N 33 110.725 113.524 -2.799 1 1 370 . 9 1 1 A 34 34 LEU H H 34 8.342 7.983 0.359 1 1 371 . 9 1 1 A 34 34 LEU HA H 34 3.686 3.791 -0.105 1 1 381 . 9 1 1 A 34 34 LEU C C 34 175.516 175.268 0.248 1 1 382 . 9 1 1 A 34 34 LEU CA C 34 57.117 56.203 0.914 1 1 383 . 9 1 1 A 34 34 LEU CB C 34 37.430 39.875 -2.445 1 1 387 . 9 1 1 A 34 34 LEU N N 34 116.913 119.532 -2.619 1 1 388 . 9 1 1 A 35 35 GLU H H 35 7.538 7.762 -0.224 1 1 389 . 9 1 1 A 35 35 GLU HA H 35 4.546 4.892 -0.346 1 1 394 . 9 1 1 A 35 35 GLU C C 35 176.005 175.664 0.341 1 1 395 . 9 1 1 A 35 35 GLU CA C 35 54.929 54.421 0.508 1 1 396 . 9 1 1 A 35 35 GLU CB C 35 30.868 33.067 -2.199 1 1 398 . 9 1 1 A 35 35 GLU N N 35 117.429 116.902 0.527 1 1 399 . 9 1 1 A 36 36 GLU H H 36 8.681 8.517 0.164 1 1 400 . 9 1 1 A 36 36 GLU HA H 36 4.740 4.642 0.098 1 1 405 . 9 1 1 A 36 36 GLU C C 36 176.833 175.648 1.185 1 1 406 . 9 1 1 A 36 36 GLU CA C 36 56.923 57.217 -0.294 1 1 407 . 9 1 1 A 36 36 GLU CB C 36 30.868 30.349 0.519 1 1 409 . 9 1 1 A 36 36 GLU N N 36 121.296 121.665 -0.369 1 1 410 . 9 1 1 A 37 37 LYS H H 37 9.122 8.445 0.677 1 1 411 . 9 1 1 A 37 37 LYS HA H 37 4.639 5.012 -0.373 1 1 420 . 9 1 1 A 37 37 LYS C C 37 173.671 174.690 -1.019 1 1 421 . 9 1 1 A 37 37 LYS CA C 37 55.476 55.258 0.218 1 1 422 . 9 1 1 A 37 37 LYS CB C 37 35.243 36.142 -0.899 1 1 426 . 9 1 1 A 37 37 LYS N N 37 125.292 123.016 2.276 1 1 427 . 9 1 1 A 38 38 SER H H 38 9.337 8.357 0.980 1 1 428 . 9 1 1 A 38 38 SER HA H 38 5.310 5.114 0.196 1 1 431 . 9 1 1 A 38 38 SER C C 38 175.102 174.907 0.195 1 1 432 . 9 1 1 A 38 38 SER CA C 38 56.296 55.698 0.598 1 1 433 . 9 1 1 A 38 38 SER CB C 38 67.233 66.659 0.574 1 1 434 . 9 1 1 A 38 38 SER N N 38 121.811 118.932 2.879 1 1 435 . 9 1 1 A 39 39 LEU H H 39 7.023 8.094 -1.071 1 1 436 . 9 1 1 A 39 39 LEU HA H 39 3.872 3.634 0.238 1 1 446 . 9 1 1 A 39 39 LEU C C 39 179.845 178.266 1.579 1 1 447 . 9 1 1 A 39 39 LEU CA C 39 58.210 58.041 0.169 1 1 448 . 9 1 1 A 39 39 LEU CB C 39 40.711 40.829 -0.118 1 1 452 . 9 1 1 A 39 39 LEU N N 39 121.811 122.375 -0.564 1 1 453 . 9 1 1 A 40 40 ALA H H 40 8.447 7.871 0.576 1 1 454 . 9 1 1 A 40 40 ALA HA H 40 3.890 3.997 -0.107 1 1 458 . 9 1 1 A 40 40 ALA C C 40 179.995 179.813 0.182 1 1 459 . 9 1 1 A 40 40 ALA CA C 40 55.203 54.614 0.589 1 1 460 . 9 1 1 A 40 40 ALA CB C 40 18.291 18.055 0.236 1 1 461 . 9 1 1 A 40 40 ALA N N 40 119.362 119.661 -0.299 1 1 462 . 9 1 1 A 41 41 ASP H H 41 7.517 7.870 -0.353 1 1 463 . 9 1 1 A 41 41 ASP HA H 41 4.469 4.326 0.143 1 1 466 . 9 1 1 A 41 41 ASP C C 41 176.720 178.859 -2.139 1 1 467 . 9 1 1 A 41 41 ASP CA C 41 56.296 56.727 -0.431 1 1 468 . 9 1 1 A 41 41 ASP CB C 41 42.079 40.546 1.533 1 1 469 . 9 1 1 A 41 41 ASP N N 41 114.850 118.788 -3.938 1 1 470 . 9 1 1 A 42 42 MET H H 42 7.989 7.833 0.156 1 1 471 . 9 1 1 A 42 42 MET HA H 42 4.336 4.385 -0.049 1 1 479 . 9 1 1 A 42 42 MET C C 42 175.440 177.216 -1.776 1 1 480 . 9 1 1 A 42 42 MET CA C 42 56.843 58.386 -1.543 1 1 481 . 9 1 1 A 42 42 MET CB C 42 31.962 32.581 -0.619 1 1 484 . 9 1 1 A 42 42 MET N N 42 118.847 116.109 2.738 1 1 485 . 9 1 1 A 43 43 LYS H H 43 6.901 7.768 -0.867 1 1 486 . 9 1 1 A 43 43 LYS HA H 43 4.265 4.155 0.110 1 1 494 . 9 1 1 A 43 43 LYS C C 43 177.435 177.449 -0.014 1 1 495 . 9 1 1 A 43 43 LYS CA C 43 57.664 58.605 -0.941 1 1 496 . 9 1 1 A 43 43 LYS CB C 43 33.329 32.398 0.931 1 1 500 . 9 1 1 A 43 43 LYS N N 43 116.913 119.524 -2.611 1 1 501 . 9 1 1 A 44 44 GLY H H 44 9.268 8.969 0.299 1 1 502 . 9 1 1 A 44 44 GLY HA2 H 44 3.692 4.010 -0.318 1 1 503 . 9 1 1 A 44 44 GLY HA3 H 44 4.596 4.013 0.583 1 1 504 . 9 1 1 A 44 44 GLY C C 44 173.671 173.367 0.304 1 1 505 . 9 1 1 A 44 44 GLY CA C 44 44.813 45.130 -0.317 1 1 506 . 9 1 1 A 44 44 GLY N N 44 111.112 112.194 -1.082 1 1 507 . 9 1 1 A 45 45 LYS H H 45 7.516 7.825 -0.309 1 1 508 . 9 1 1 A 45 45 LYS HA H 45 4.754 4.849 -0.095 1 1 515 . 9 1 1 A 45 45 LYS C C 45 175.214 174.690 0.524 1 1 516 . 9 1 1 A 45 45 LYS CA C 45 54.820 55.022 -0.202 1 1 517 . 9 1 1 A 45 45 LYS CB C 45 36.883 36.032 0.851 1 1 521 . 9 1 1 A 45 45 LYS N N 45 117.944 121.184 -3.240 1 1 522 . 9 1 1 A 46 46 VAL H H 46 8.887 8.628 0.259 1 1 523 . 9 1 1 A 46 46 VAL HA H 46 3.950 4.206 -0.256 1 1 531 . 9 1 1 A 46 46 VAL C C 46 174.876 175.256 -0.380 1 1 532 . 9 1 1 A 46 46 VAL CA C 46 64.773 63.294 1.479 1 1 533 . 9 1 1 A 46 46 VAL CB C 46 31.962 32.255 -0.293 1 1 536 . 9 1 1 A 46 46 VAL N N 46 124.776 124.557 0.219 1 1 537 . 9 1 1 A 47 47 THR H H 47 8.956 9.030 -0.074 1 1 538 . 9 1 1 A 47 47 THR HA H 47 5.300 5.366 -0.066 1 1 543 . 9 1 1 A 47 47 THR C C 47 172.579 173.529 -0.950 1 1 544 . 9 1 1 A 47 47 THR CA C 47 62.312 61.363 0.949 1 1 545 . 9 1 1 A 47 47 THR CB C 47 73.249 72.348 0.901 1 1 547 . 9 1 1 A 47 47 THR N N 47 124.132 121.796 2.336 1 1 548 . 9 1 1 A 48 48 ILE H H 48 9.160 8.985 0.175 1 1 549 . 9 1 1 A 48 48 ILE HA H 48 4.740 5.026 -0.286 1 1 559 . 9 1 1 A 48 48 ILE C C 48 173.972 175.267 -1.295 1 1 560 . 9 1 1 A 48 48 ILE CA C 48 61.441 60.016 1.425 1 1 561 . 9 1 1 A 48 48 ILE CB C 48 40.438 41.642 -1.204 1 1 565 . 9 1 1 A 48 48 ILE N N 48 128.515 124.820 3.695 1 1 566 . 9 1 1 A 49 49 ILE H H 49 9.507 9.305 0.202 1 1 567 . 9 1 1 A 49 49 ILE HA H 49 4.883 4.888 -0.005 1 1 577 . 9 1 1 A 49 49 ILE C C 49 174.650 175.548 -0.898 1 1 578 . 9 1 1 A 49 49 ILE CA C 49 60.773 60.738 0.035 1 1 579 . 9 1 1 A 49 49 ILE CB C 49 41.532 40.209 1.323 1 1 583 . 9 1 1 A 49 49 ILE N N 49 126.194 127.296 -1.102 1 1 584 . 9 1 1 A 50 50 SER H H 50 9.079 9.184 -0.105 1 1 585 . 9 1 1 A 50 50 SER HA H 50 5.138 4.953 0.185 1 1 588 . 9 1 1 A 50 50 SER C C 50 172.692 174.135 -1.443 1 1 589 . 9 1 1 A 50 50 SER CA C 50 56.843 58.801 -1.958 1 1 590 . 9 1 1 A 50 50 SER CB C 50 64.773 64.106 0.667 1 1 591 . 9 1 1 A 50 50 SER N N 50 121.940 124.013 -2.073 1 1 592 . 9 1 1 A 51 51 VAL H H 51 9.010 8.590 0.420 1 1 593 . 9 1 1 A 51 51 VAL HA H 51 4.873 5.086 -0.213 1 1 601 . 9 1 1 A 51 51 VAL CA C 51 61.595 61.280 0.315 1 1 602 . 9 1 1 A 51 51 VAL CB C 51 32.509 35.199 -2.690 1 1 605 . 9 1 1 A 51 51 VAL N N 51 128.128 123.080 5.048 1 1 606 . 9 1 1 A 52 52 ILE H H 52 8.182 8.808 -0.626 1 1 607 . 9 1 1 A 52 52 ILE HA H 52 4.862 4.894 -0.032 1 1 616 . 9 1 1 A 52 52 ILE CA C 52 58.026 57.309 0.717 1 1 617 . 9 1 1 A 52 52 ILE CB C 52 43.172 40.266 2.906 1 1 621 . 9 1 1 A 52 52 ILE N N 52 124.776 122.723 2.053 1 1 622 . 9 1 1 A 53 53 PRO HA H 53 4.904 4.492 0.412 1 1 629 . 9 1 1 A 53 53 PRO CA C 53 65.560 64.533 1.027 1 1 630 . 9 1 1 A 53 53 PRO CB C 53 31.826 32.385 -0.559 1 1 633 . 9 1 1 A 54 54 SER H H 54 7.214 7.735 -0.521 1 1 634 . 9 1 1 A 54 54 SER HA H 54 5.100 4.817 0.283 1 1 637 . 9 1 1 A 54 54 SER CA C 54 57.417 57.569 -0.152 1 1 638 . 9 1 1 A 54 54 SER CB C 54 65.195 67.166 -1.971 1 1 639 . 9 1 1 A 54 54 SER N N 54 107.901 112.810 -4.909 1 1 640 . 9 1 1 A 55 55 ILE H H 55 7.330 8.945 -1.615 1 1 641 . 9 1 1 A 55 55 ILE HA H 55 5.075 4.519 0.556 1 1 651 . 9 1 1 A 55 55 ILE CA C 55 61.734 61.149 0.585 1 1 652 . 9 1 1 A 55 55 ILE CB C 55 36.233 38.705 -2.472 1 1 656 . 9 1 1 A 56 56 ASP H H 56 8.699 7.894 0.805 1 1 657 . 9 1 1 A 56 56 ASP HA H 56 5.075 4.442 0.633 1 1 660 . 9 1 1 A 56 56 ASP CA C 56 54.407 56.743 -2.336 1 1 661 . 9 1 1 A 56 56 ASP CB C 56 42.832 41.096 1.736 1 1 662 . 9 1 1 A 56 56 ASP N N 56 121.940 122.541 -0.601 1 1 663 . 9 1 1 A 57 57 THR H H 57 7.294 7.603 -0.309 1 1 664 . 9 1 1 A 57 57 THR HA H 57 4.323 4.337 -0.014 1 1 669 . 9 1 1 A 57 57 THR C C 57 175.440 175.714 -0.274 1 1 670 . 9 1 1 A 57 57 THR CA C 57 61.765 61.661 0.104 1 1 671 . 9 1 1 A 57 57 THR CB C 57 69.421 70.040 -0.619 1 1 673 . 9 1 1 A 57 57 THR N N 57 108.921 109.989 -1.068 1 1 674 . 9 1 1 A 58 58 GLY H H 58 8.215 8.781 -0.566 1 1 675 . 9 1 1 A 58 58 GLY HA2 H 58 4.012 3.882 0.130 1 1 676 . 9 1 1 A 58 58 GLY HA3 H 58 4.012 3.884 0.128 1 1 677 . 9 1 1 A 58 58 GLY C C 58 173.520 175.764 -2.244 1 1 678 . 9 1 1 A 58 58 GLY CA C 58 45.360 46.258 -0.898 1 1 679 . 9 1 1 A 58 58 GLY N N 58 110.969 110.114 0.855 1 1 680 . 9 1 1 A 59 59 VAL H H 59 7.976 8.152 -0.176 1 1 681 . 9 1 1 A 59 59 VAL HA H 59 4.307 3.825 0.482 1 1 689 . 9 1 1 A 59 59 VAL C C 59 175.854 177.891 -2.037 1 1 690 . 9 1 1 A 59 59 VAL CA C 59 61.765 65.011 -3.246 1 1 691 . 9 1 1 A 59 59 VAL CB C 59 33.329 30.995 2.334 1 1 694 . 9 1 1 A 59 59 VAL N N 59 118.501 117.900 0.601 1 1 696 . 9 1 1 A 61 61 ASP HA H 61 4.323 4.302 0.021 1 1 697 . 9 1 1 A 61 61 ASP CA C 61 54.382 56.827 -2.445 1 1 698 . 9 1 1 A 61 61 ASP CB C 61 39.142 40.698 -1.556 1 1 699 . 9 1 1 A 62 62 ALA H H 62 8.663 7.932 0.731 1 1 700 . 9 1 1 A 62 62 ALA HA H 62 3.971 3.921 0.050 1 1 704 . 9 1 1 A 62 62 ALA C C 62 180.485 177.649 2.836 1 1 705 . 9 1 1 A 62 62 ALA CA C 62 55.203 54.480 0.723 1 1 706 . 9 1 1 A 62 62 ALA CB C 62 18.838 18.573 0.265 1 1 707 . 9 1 1 A 63 63 GLN H H 63 8.550 7.609 0.941 1 1 708 . 9 1 1 A 63 63 GLN HA H 63 3.865 4.468 -0.603 1 1 715 . 9 1 1 A 63 63 GLN C C 63 178.527 177.325 1.202 1 1 716 . 9 1 1 A 63 63 GLN CA C 63 59.346 57.054 2.292 1 1 717 . 9 1 1 A 63 63 GLN CB C 63 28.635 31.681 -3.046 1 1 719 . 9 1 1 A 63 63 GLN N N 63 117.429 116.523 0.906 1 1 721 . 9 1 1 A 64 64 THR H H 64 8.121 8.263 -0.142 1 1 722 . 9 1 1 A 64 64 THR HA H 64 3.624 3.847 -0.223 1 1 727 . 9 1 1 A 64 64 THR C C 64 178.527 176.109 2.418 1 1 728 . 9 1 1 A 64 64 THR CA C 64 66.686 67.381 -0.695 1 1 729 . 9 1 1 A 64 64 THR CB C 64 68.600 68.370 0.230 1 1 731 . 9 1 1 A 64 64 THR N N 64 118.460 116.578 1.882 1 1 732 . 9 1 1 A 65 65 ARG H H 65 7.530 8.155 -0.625 1 1 733 . 9 1 1 A 65 65 ARG HA H 65 3.904 3.982 -0.078 1 1 739 . 9 1 1 A 65 65 ARG CA C 65 59.507 59.172 0.335 1 1 740 . 9 1 1 A 65 65 ARG CB C 65 29.637 29.642 -0.005 1 1 743 . 9 1 1 A 66 66 ARG H H 66 7.972 7.704 0.268 1 1 744 . 9 1 1 A 66 66 ARG HA H 66 4.056 3.964 0.092 1 1 751 . 9 1 1 A 66 66 ARG C C 66 177.624 178.382 -0.758 1 1 752 . 9 1 1 A 66 66 ARG CA C 66 59.031 58.720 0.311 1 1 753 . 9 1 1 A 66 66 ARG CB C 66 29.228 29.748 -0.520 1 1 756 . 9 1 1 A 66 66 ARG N N 66 118.460 119.371 -0.911 1 1 757 . 9 1 1 A 67 67 PHE H H 67 7.673 8.029 -0.356 1 1 758 . 9 1 1 A 67 67 PHE HA H 67 4.260 3.998 0.262 1 1 763 . 9 1 1 A 67 67 PHE C C 67 176.043 177.638 -1.595 1 1 764 . 9 1 1 A 67 67 PHE CA C 67 60.945 60.771 0.174 1 1 765 . 9 1 1 A 67 67 PHE CB C 67 39.071 38.942 0.129 1 1 766 . 9 1 1 A 67 67 PHE N N 67 119.362 120.267 -0.905 1 1 767 . 9 1 1 A 68 68 ASN H H 68 7.688 8.308 -0.620 1 1 768 . 9 1 1 A 68 68 ASN HA H 68 4.150 3.866 0.284 1 1 771 . 9 1 1 A 68 68 ASN C C 68 177.172 177.434 -0.262 1 1 772 . 9 1 1 A 68 68 ASN CA C 68 55.750 56.192 -0.442 1 1 773 . 9 1 1 A 68 68 ASN CB C 68 37.977 37.678 0.299 1 1 774 . 9 1 1 A 68 68 ASN N N 68 117.042 117.114 -0.072 1 1 775 . 9 1 1 A 69 69 GLU H H 69 8.185 7.886 0.299 1 1 776 . 9 1 1 A 69 69 GLU HA H 69 3.848 3.970 -0.122 1 1 781 . 9 1 1 A 69 69 GLU C C 69 179.468 178.943 0.525 1 1 782 . 9 1 1 A 69 69 GLU CA C 69 59.577 59.599 -0.022 1 1 783 . 9 1 1 A 69 69 GLU CB C 69 30.321 29.087 1.234 1 1 785 . 9 1 1 A 69 69 GLU N N 69 118.975 119.758 -0.783 1 1 786 . 9 1 1 A 70 70 GLU H H 70 8.671 8.355 0.316 1 1 787 . 9 1 1 A 70 70 GLU HA H 70 3.807 4.013 -0.206 1 1 792 . 9 1 1 A 70 70 GLU C C 70 179.468 178.378 1.090 1 1 793 . 9 1 1 A 70 70 GLU CA C 70 58.757 59.369 -0.612 1 1 794 . 9 1 1 A 70 70 GLU CB C 70 29.501 29.245 0.256 1 1 796 . 9 1 1 A 70 70 GLU N N 70 118.975 119.391 -0.416 1 1 797 . 9 1 1 A 71 71 ALA H H 71 8.418 8.233 0.185 1 1 798 . 9 1 1 A 71 71 ALA HA H 71 3.616 3.950 -0.334 1 1 802 . 9 1 1 A 71 71 ALA C C 71 178.226 179.772 -1.546 1 1 803 . 9 1 1 A 71 71 ALA CA C 71 54.656 54.876 -0.220 1 1 804 . 9 1 1 A 71 71 ALA CB C 71 18.017 17.722 0.295 1 1 805 . 9 1 1 A 71 71 ALA N N 71 122.069 121.059 1.010 1 1 806 . 9 1 1 A 72 72 ALA H H 72 7.520 7.937 -0.417 1 1 807 . 9 1 1 A 72 72 ALA HA H 72 3.842 3.938 -0.096 1 1 811 . 9 1 1 A 72 72 ALA C C 72 179.280 178.820 0.460 1 1 812 . 9 1 1 A 72 72 ALA CA C 72 54.109 54.905 -0.796 1 1 813 . 9 1 1 A 72 72 ALA CB C 72 18.564 18.246 0.318 1 1 814 . 9 1 1 A 72 72 ALA N N 72 116.139 119.577 -3.438 1 1 815 . 9 1 1 A 73 73 LYS H H 73 7.302 7.518 -0.216 1 1 816 . 9 1 1 A 73 73 LYS HA H 73 4.129 4.126 0.003 1 1 825 . 9 1 1 A 73 73 LYS C C 73 177.661 179.135 -1.474 1 1 826 . 9 1 1 A 73 73 LYS CA C 73 57.116 57.952 -0.836 1 1 827 . 9 1 1 A 73 73 LYS CB C 73 32.782 32.217 0.565 1 1 831 . 9 1 1 A 73 73 LYS N N 73 114.850 116.832 -1.982 1 1 832 . 9 1 1 A 74 74 LEU H H 74 7.398 7.344 0.054 1 1 833 . 9 1 1 A 74 74 LEU HA H 74 3.983 4.051 -0.068 1 1 843 . 9 1 1 A 74 74 LEU C C 74 177.021 176.809 0.212 1 1 844 . 9 1 1 A 74 74 LEU CA C 74 56.843 56.812 0.031 1 1 845 . 9 1 1 A 74 74 LEU CB C 74 42.625 42.883 -0.258 1 1 849 . 9 1 1 A 74 74 LEU N N 74 118.460 119.178 -0.718 1 1 850 . 9 1 1 A 75 75 GLY H H 75 7.174 7.227 -0.053 1 1 851 . 9 1 1 A 75 75 GLY HA2 H 75 4.215 4.050 0.165 1 1 852 . 9 1 1 A 75 75 GLY HA3 H 75 3.630 4.051 -0.421 1 1 853 . 9 1 1 A 75 75 GLY C C 75 172.805 173.614 -0.809 1 1 854 . 9 1 1 A 75 75 GLY CA C 75 45.360 45.624 -0.264 1 1 855 . 9 1 1 A 75 75 GLY N N 75 102.991 104.142 -1.151 1 1 856 . 9 1 1 A 76 76 ASP H H 76 8.825 8.612 0.213 1 1 857 . 9 1 1 A 76 76 ASP HA H 76 4.766 4.664 0.102 1 1 860 . 9 1 1 A 76 76 ASP C C 76 173.749 175.717 -1.968 1 1 861 . 9 1 1 A 76 76 ASP CA C 76 53.708 54.122 -0.414 1 1 862 . 9 1 1 A 76 76 ASP CB C 76 39.071 40.562 -1.491 1 1 863 . 9 1 1 A 76 76 ASP N N 76 126.839 120.617 6.222 1 1 864 . 9 1 1 A 77 77 VAL H H 77 7.511 7.388 0.123 1 1 865 . 9 1 1 A 77 77 VAL HA H 77 4.772 4.027 0.745 1 1 873 . 9 1 1 A 77 77 VAL C C 77 175.629 175.711 -0.082 1 1 874 . 9 1 1 A 77 77 VAL CA C 77 58.959 61.983 -3.024 1 1 875 . 9 1 1 A 77 77 VAL CB C 77 34.970 32.605 2.365 1 1 878 . 9 1 1 A 77 77 VAL N N 77 115.615 117.985 -2.370 1 1 879 . 9 1 1 A 78 78 ASN H H 78 8.822 8.636 0.186 1 1 880 . 9 1 1 A 78 78 ASN HA H 78 4.820 4.697 0.123 1 1 885 . 9 1 1 A 78 78 ASN C C 78 174.047 174.885 -0.838 1 1 886 . 9 1 1 A 78 78 ASN CA C 78 52.085 53.695 -1.610 1 1 887 . 9 1 1 A 78 78 ASN CB C 78 40.438 38.802 1.636 1 1 888 . 9 1 1 A 78 78 ASN N N 78 120.393 122.360 -1.967 1 1 890 . 9 1 1 A 79 79 VAL H H 79 8.044 8.153 -0.109 1 1 891 . 9 1 1 A 79 79 VAL HA H 79 4.669 4.826 -0.157 1 1 899 . 9 1 1 A 79 79 VAL C C 79 174.123 174.123 0.000 1 1 900 . 9 1 1 A 79 79 VAL CA C 79 61.491 60.649 0.842 1 1 901 . 9 1 1 A 79 79 VAL CB C 79 33.329 34.437 -1.108 1 1 904 . 9 1 1 A 79 79 VAL N N 79 122.456 122.657 -0.201 1 1 905 . 9 1 1 A 80 80 TYR H H 80 8.944 9.056 -0.112 1 1 906 . 9 1 1 A 80 80 TYR HA H 80 6.170 5.447 0.723 1 1 911 . 9 1 1 A 80 80 TYR C C 80 177.210 175.298 1.912 1 1 912 . 9 1 1 A 80 80 TYR CA C 80 54.929 55.730 -0.801 1 1 913 . 9 1 1 A 80 80 TYR CB C 80 42.899 43.240 -0.341 1 1 914 . 9 1 1 A 80 80 TYR N N 80 123.229 125.306 -2.077 1 1 915 . 9 1 1 A 81 81 THR H H 81 8.465 8.690 -0.225 1 1 916 . 9 1 1 A 81 81 THR HA H 81 5.652 5.321 0.331 1 1 921 . 9 1 1 A 81 81 THR C C 81 172.880 172.975 -0.095 1 1 922 . 9 1 1 A 81 81 THR CA C 81 62.038 61.466 0.572 1 1 923 . 9 1 1 A 81 81 THR CB C 81 71.608 71.422 0.186 1 1 925 . 9 1 1 A 81 81 THR N N 81 119.491 115.632 3.859 1 1 926 . 9 1 1 A 82 82 ILE H H 82 8.958 9.297 -0.339 1 1 927 . 9 1 1 A 82 82 ILE HA H 82 5.145 4.906 0.239 1 1 937 . 9 1 1 A 82 82 ILE C C 82 174.123 174.930 -0.807 1 1 938 . 9 1 1 A 82 82 ILE CA C 82 59.847 60.148 -0.301 1 1 939 . 9 1 1 A 82 82 ILE CB C 82 39.618 39.079 0.539 1 1 943 . 9 1 1 A 82 82 ILE N N 82 125.550 129.437 -3.887 1 1 944 . 9 1 1 A 83 83 SER H H 83 7.731 8.652 -0.921 1 1 945 . 9 1 1 A 83 83 SER HA H 83 4.909 5.176 -0.267 1 1 948 . 9 1 1 A 83 83 SER C C 83 173.182 173.231 -0.049 1 1 949 . 9 1 1 A 83 83 SER CA C 83 57.034 57.962 -0.928 1 1 950 . 9 1 1 A 83 83 SER CB C 83 68.054 67.266 0.788 1 1 951 . 9 1 1 A 83 83 SER N N 83 117.171 123.269 -6.098 1 1 952 . 9 1 1 A 84 84 ALA H H 84 9.548 8.618 0.930 1 1 953 . 9 1 1 A 84 84 ALA HA H 84 4.177 4.485 -0.308 1 1 957 . 9 1 1 A 84 84 ALA C C 84 175.290 177.973 -2.683 1 1 958 . 9 1 1 A 84 84 ALA CA C 84 51.922 51.983 -0.061 1 1 959 . 9 1 1 A 84 84 ALA CB C 84 19.111 19.854 -0.743 1 1 960 . 9 1 1 A 84 84 ALA N N 84 120.651 125.344 -4.693 1 1 961 . 9 1 1 A 85 85 ASP H H 85 7.739 8.650 -0.911 1 1 962 . 9 1 1 A 85 85 ASP HA H 85 4.380 4.647 -0.267 1 1 965 . 9 1 1 A 85 85 ASP C C 85 175.591 176.220 -0.629 1 1 966 . 9 1 1 A 85 85 ASP CA C 85 55.136 55.403 -0.267 1 1 967 . 9 1 1 A 85 85 ASP CB C 85 43.011 41.430 1.581 1 1 968 . 9 1 1 A 85 85 ASP N N 85 114.721 119.696 -4.975 1 1 969 . 9 1 1 A 86 86 LEU H H 86 8.475 7.225 1.250 1 1 970 . 9 1 1 A 86 86 LEU HA H 86 3.956 4.306 -0.350 1 1 980 . 9 1 1 A 86 86 LEU CA C 86 54.656 53.208 1.448 1 1 981 . 9 1 1 A 86 86 LEU CB C 86 39.380 43.654 -4.274 1 1 985 . 9 1 1 A 87 87 PRO HA H 87 4.225 4.103 0.122 1 1 992 . 9 1 1 A 87 87 PRO CA C 87 65.046 65.146 -0.100 1 1 993 . 9 1 1 A 87 87 PRO CB C 87 32.264 31.368 0.896 1 1 996 . 9 1 1 A 88 88 PHE H H 88 5.565 8.041 -2.476 1 1 997 . 9 1 1 A 88 88 PHE HA H 88 4.340 4.507 -0.167 1 1 1000 . 9 1 1 A 88 88 PHE CA C 88 57.664 59.791 -2.127 1 1 1001 . 9 1 1 A 88 88 PHE CB C 88 39.344 38.002 1.342 1 1 1002 . 9 1 1 A 88 88 PHE N N 88 110.725 116.432 -5.707 1 1 1003 . 9 1 1 A 89 89 ALA H H 89 7.381 8.293 -0.912 1 1 1004 . 9 1 1 A 89 89 ALA HA H 89 4.239 4.620 -0.381 1 1 1008 . 9 1 1 A 89 89 ALA CA C 89 52.009 51.617 0.392 1 1 1009 . 9 1 1 A 89 89 ALA CB C 89 19.761 20.991 -1.230 1 1 1010 . 9 1 1 A 89 89 ALA N N 89 114.850 120.373 -5.523 1 1 1011 . 9 1 1 A 90 90 GLN H H 90 7.231 7.555 -0.324 1 1 1012 . 9 1 1 A 90 90 GLN HA H 90 3.695 4.816 -1.121 1 1 1018 . 9 1 1 A 90 90 GLN CA C 90 59.578 55.098 4.480 1 1 1019 . 9 1 1 A 90 90 GLN CB C 90 28.728 29.800 -1.072 1 1 1022 . 9 1 1 A 91 91 ALA H H 91 7.741 7.196 0.545 1 1 1023 . 9 1 1 A 91 91 ALA HA H 91 4.202 3.647 0.555 1 1 1027 . 9 1 1 A 91 91 ALA CA C 91 54.382 50.111 4.271 1 1 1028 . 9 1 1 A 91 91 ALA CB C 91 18.837 22.553 -3.716 1 1 1029 . 9 1 1 A 91 91 ALA N N 91 118.589 121.015 -2.426 1 1 1030 . 9 1 1 A 92 92 ARG H H 92 7.354 8.308 -0.954 1 1 1031 . 9 1 1 A 92 92 ARG HA H 92 4.588 3.640 0.948 1 1 1038 . 9 1 1 A 92 92 ARG CA C 92 55.476 56.615 -1.139 1 1 1039 . 9 1 1 A 92 92 ARG CB C 92 30.048 27.535 2.513 1 1 1042 . 9 1 1 A 93 93 TRP H H 93 7.767 7.423 0.344 1 1 1043 . 9 1 1 A 93 93 TRP HA H 93 4.881 4.489 0.392 1 1 1050 . 9 1 1 A 93 93 TRP CA C 93 57.534 58.273 -0.739 1 1 1051 . 9 1 1 A 93 93 TRP CB C 93 29.501 29.333 0.168 1 1 1052 . 9 1 1 A 93 93 TRP N N 93 121.927 118.405 3.522 1 1 1054 . 9 1 1 A 94 94 CYS HA H 94 3.901 4.330 -0.429 1 1 1057 . 9 1 1 A 94 94 CYS CA C 94 59.577 59.150 0.427 1 1 1058 . 9 1 1 A 94 94 CYS CB C 94 43.446 42.184 1.262 1 1 1059 . 9 1 1 A 95 95 GLY HA2 H 95 5.122 3.980 1.142 1 1 1060 . 9 1 1 A 95 95 GLY HA3 H 95 3.691 3.995 -0.304 1 1 1061 . 9 1 1 A 95 95 GLY CA C 95 45.511 46.384 -0.873 1 1 1062 . 9 1 1 A 96 96 ALA H H 96 7.504 7.669 -0.165 1 1 1063 . 9 1 1 A 96 96 ALA HA H 96 4.412 4.436 -0.024 1 1 1067 . 9 1 1 A 96 96 ALA CA C 96 51.699 51.463 0.236 1 1 1068 . 9 1 1 A 96 96 ALA CB C 96 21.025 20.616 0.409 1 1 1069 . 9 1 1 A 96 96 ALA N N 96 121.579 119.526 2.053 1 1 1070 . 9 1 1 A 97 97 ASN H H 97 7.345 7.464 -0.119 1 1 1071 . 9 1 1 A 97 97 ASN HA H 97 4.551 4.675 -0.124 1 1 1076 . 9 1 1 A 97 97 ASN CA C 97 54.929 54.572 0.357 1 1 1077 . 9 1 1 A 97 97 ASN CB C 97 39.071 37.962 1.109 1 1 1079 . 9 1 1 A 98 98 GLY H H 98 8.890 8.833 0.057 1 1 1080 . 9 1 1 A 98 98 GLY HA2 H 98 3.796 3.919 -0.123 1 1 1081 . 9 1 1 A 98 98 GLY HA3 H 98 4.070 3.922 0.148 1 1 1082 . 9 1 1 A 98 98 GLY C C 98 174.160 173.632 0.528 1 1 1083 . 9 1 1 A 98 98 GLY CA C 98 45.841 45.196 0.645 1 1 1084 . 9 1 1 A 99 99 ILE H H 99 7.739 7.454 0.285 1 1 1085 . 9 1 1 A 99 99 ILE HA H 99 4.198 4.509 -0.311 1 1 1095 . 9 1 1 A 99 99 ILE C C 99 175.561 175.386 0.175 1 1 1096 . 9 1 1 A 99 99 ILE CA C 99 60.671 59.214 1.457 1 1 1097 . 9 1 1 A 99 99 ILE CB C 99 38.524 38.527 -0.003 1 1 1101 . 9 1 1 A 99 99 ILE N N 99 120.780 114.453 6.327 1 1 1102 . 9 1 1 A 100 100 ASP H H 100 8.372 8.635 -0.263 1 1 1103 . 9 1 1 A 100 100 ASP HA H 100 4.426 4.130 0.296 1 1 1106 . 9 1 1 A 100 100 ASP C C 100 176.325 177.621 -1.296 1 1 1107 . 9 1 1 A 100 100 ASP CA C 100 56.023 57.755 -1.732 1 1 1108 . 9 1 1 A 100 100 ASP CB C 100 40.985 40.561 0.424 1 1 1109 . 9 1 1 A 100 100 ASP N N 100 126.194 125.673 0.521 1 1 1110 . 9 1 1 A 101 101 LYS H H 101 8.081 7.790 0.291 1 1 1111 . 9 1 1 A 101 101 LYS HA H 101 4.052 4.196 -0.144 1 1 1120 . 9 1 1 A 101 101 LYS C C 101 175.874 177.557 -1.683 1 1 1121 . 9 1 1 A 101 101 LYS CA C 101 58.210 58.141 0.069 1 1 1122 . 9 1 1 A 101 101 LYS CB C 101 31.689 32.214 -0.525 1 1 1126 . 9 1 1 A 101 101 LYS N N 101 115.366 116.518 -1.152 1 1 1127 . 9 1 1 A 102 102 VAL H H 102 7.631 7.605 0.026 1 1 1128 . 9 1 1 A 102 102 VAL HA H 102 4.419 4.004 0.415 1 1 1136 . 9 1 1 A 102 102 VAL C C 102 175.145 175.510 -0.365 1 1 1137 . 9 1 1 A 102 102 VAL CA C 102 61.919 62.962 -1.043 1 1 1138 . 9 1 1 A 102 102 VAL CB C 102 32.782 32.085 0.697 1 1 1141 . 9 1 1 A 102 102 VAL N N 102 119.362 120.044 -0.682 1 1 1142 . 9 1 1 A 103 103 GLU H H 103 8.489 8.393 0.096 1 1 1143 . 9 1 1 A 103 103 GLU HA H 103 4.931 4.787 0.144 1 1 1148 . 9 1 1 A 103 103 GLU C C 103 175.943 175.764 0.179 1 1 1149 . 9 1 1 A 103 103 GLU CA C 103 55.140 54.660 0.480 1 1 1150 . 9 1 1 A 103 103 GLU CB C 103 33.329 33.491 -0.162 1 1 1152 . 9 1 1 A 103 103 GLU N N 103 126.581 126.497 0.084 1 1 1153 . 9 1 1 A 104 104 THR H H 104 8.690 8.283 0.407 1 1 1154 . 9 1 1 A 104 104 THR HA H 104 5.292 4.919 0.373 1 1 1159 . 9 1 1 A 104 104 THR C C 104 173.165 173.804 -0.639 1 1 1160 . 9 1 1 A 104 104 THR CA C 104 58.757 61.099 -2.342 1 1 1161 . 9 1 1 A 104 104 THR CB C 104 69.967 69.872 0.095 1 1 1163 . 9 1 1 A 104 104 THR N N 104 114.979 116.772 -1.793 1 1 1164 . 9 1 1 A 105 105 LEU H H 105 8.635 8.794 -0.159 1 1 1165 . 9 1 1 A 105 105 LEU HA H 105 4.979 5.107 -0.128 1 1 1175 . 9 1 1 A 105 105 LEU C C 105 176.985 175.894 1.091 1 1 1176 . 9 1 1 A 105 105 LEU CA C 105 52.849 53.568 -0.719 1 1 1177 . 9 1 1 A 105 105 LEU CB C 105 45.633 45.735 -0.102 1 1 1181 . 9 1 1 A 105 105 LEU N N 105 119.233 124.496 -5.263 1 1 1182 . 9 1 1 A 106 106 SER H H 106 9.670 8.833 0.837 1 1 1183 . 9 1 1 A 106 106 SER HA H 106 5.485 5.264 0.221 1 1 1186 . 9 1 1 A 106 106 SER C C 106 176.256 173.912 2.344 1 1 1187 . 9 1 1 A 106 106 SER CA C 106 56.570 57.392 -0.822 1 1 1188 . 9 1 1 A 106 106 SER CB C 106 65.593 65.266 0.327 1 1 1189 . 9 1 1 A 106 106 SER N N 106 114.979 118.922 -3.943 1 1 1190 . 9 1 1 A 107 107 ASP H H 107 8.764 8.576 0.188 1 1 1191 . 9 1 1 A 107 107 ASP HA H 107 5.517 4.845 0.672 1 1 1194 . 9 1 1 A 107 107 ASP CA C 107 52.753 54.083 -1.330 1 1 1195 . 9 1 1 A 107 107 ASP CB C 107 45.086 43.594 1.492 1 1 1196 . 9 1 1 A 107 107 ASP N N 107 132.898 124.040 8.858 1 1 1197 . 9 1 1 A 108 108 HIS H H 108 7.940 8.022 -0.082 1 1 1198 . 9 1 1 A 108 108 HIS HA H 108 4.075 4.083 -0.008 1 1 1200 . 9 1 1 A 108 108 HIS CA C 108 59.577 58.927 0.650 1 1 1201 . 9 1 1 A 108 108 HIS CB C 108 29.861 30.080 -0.219 1 1 1202 . 9 1 1 A 108 108 HIS N N 108 116.397 119.509 -3.112 1 1 1203 . 9 1 1 A 109 109 ARG HA H 109 4.214 3.915 0.299 1 1 1206 . 9 1 1 A 109 109 ARG CA C 109 59.031 59.274 -0.243 1 1 1207 . 9 1 1 A 109 109 ARG CB C 109 27.861 29.733 -1.872 1 1 1208 . 9 1 1 A 110 110 ASP HA H 110 4.867 4.847 0.020 1 1 1211 . 9 1 1 A 110 110 ASP C C 110 175.735 175.954 -0.219 1 1 1212 . 9 1 1 A 110 110 ASP CA C 110 53.708 53.111 0.597 1 1 1213 . 9 1 1 A 110 110 ASP CB C 110 43.875 42.443 1.432 1 1 1214 . 9 1 1 A 111 111 MET H H 111 7.899 8.376 -0.477 1 1 1215 . 9 1 1 A 111 111 MET HA H 111 4.503 4.360 0.143 1 1 1221 . 9 1 1 A 111 111 MET C C 111 177.332 175.748 1.584 1 1 1222 . 9 1 1 A 111 111 MET CA C 111 56.570 56.734 -0.164 1 1 1223 . 9 1 1 A 111 111 MET CB C 111 30.868 30.772 0.096 1 1 1226 . 9 1 1 A 111 111 MET N N 111 116.397 116.893 -0.496 1 1 1227 . 9 1 1 A 112 112 SER H H 112 7.931 7.875 0.056 1 1 1228 . 9 1 1 A 112 112 SER HA H 112 4.248 3.983 0.265 1 1 1231 . 9 1 1 A 112 112 SER C C 112 179.173 175.940 3.233 1 1 1232 . 9 1 1 A 112 112 SER CA C 112 60.945 62.253 -1.308 1 1 1233 . 9 1 1 A 112 112 SER CB C 112 64.499 62.905 1.594 1 1 1234 . 9 1 1 A 112 112 SER N N 112 113.561 113.231 0.330 1 1 1235 . 9 1 1 A 113 113 PHE H H 113 10.125 8.421 1.704 1 1 1236 . 9 1 1 A 113 113 PHE HA H 113 3.593 3.741 -0.148 1 1 1241 . 9 1 1 A 113 113 PHE C C 113 177.437 177.711 -0.274 1 1 1242 . 9 1 1 A 113 113 PHE CA C 113 62.312 61.188 1.124 1 1 1243 . 9 1 1 A 113 113 PHE CB C 113 37.704 38.423 -0.719 1 1 1244 . 9 1 1 A 113 113 PHE N N 113 125.550 122.245 3.305 1 1 1245 . 9 1 1 A 114 114 GLY H H 114 10.707 8.832 1.875 1 1 1246 . 9 1 1 A 114 114 GLY HA2 H 114 3.396 3.696 -0.300 1 1 1247 . 9 1 1 A 114 114 GLY HA3 H 114 3.218 3.754 -0.536 1 1 1248 . 9 1 1 A 114 114 GLY C C 114 175.735 175.952 -0.217 1 1 1249 . 9 1 1 A 114 114 GLY CA C 114 48.641 47.334 1.307 1 1 1250 . 9 1 1 A 114 114 GLY N N 114 109.178 106.193 2.985 1 1 1251 . 9 1 1 A 115 115 GLU H H 115 8.251 8.151 0.100 1 1 1252 . 9 1 1 A 115 115 GLU HA H 115 4.431 4.121 0.310 1 1 1257 . 9 1 1 A 115 115 GLU C C 115 178.756 179.499 -0.743 1 1 1258 . 9 1 1 A 115 115 GLU CA C 115 59.031 60.364 -1.333 1 1 1259 . 9 1 1 A 115 115 GLU CB C 115 29.775 28.809 0.966 1 1 1261 . 9 1 1 A 115 115 GLU N N 115 120.522 121.520 -0.998 1 1 1262 . 9 1 1 A 116 116 ALA H H 116 7.895 7.934 -0.039 1 1 1263 . 9 1 1 A 116 116 ALA HA H 116 4.111 4.150 -0.039 1 1 1267 . 9 1 1 A 116 116 ALA C C 116 177.610 178.733 -1.123 1 1 1268 . 9 1 1 A 116 116 ALA CA C 116 55.476 54.973 0.503 1 1 1269 . 9 1 1 A 116 116 ALA CB C 116 18.838 18.730 0.108 1 1 1270 . 9 1 1 A 116 116 ALA N N 116 123.100 121.704 1.396 1 1 1271 . 9 1 1 A 117 117 PHE H H 117 8.161 7.736 0.425 1 1 1272 . 9 1 1 A 117 117 PHE HA H 117 4.262 4.372 -0.110 1 1 1277 . 9 1 1 A 117 117 PHE C C 117 175.353 175.298 0.055 1 1 1278 . 9 1 1 A 117 117 PHE CA C 117 56.843 57.261 -0.418 1 1 1279 . 9 1 1 A 117 117 PHE CB C 117 38.251 38.546 -0.295 1 1 1280 . 9 1 1 A 117 117 PHE N N 117 113.432 112.627 0.805 1 1 1281 . 9 1 1 A 118 118 GLY H H 118 7.685 7.819 -0.134 1 1 1282 . 9 1 1 A 118 118 GLY HA2 H 118 3.544 4.042 -0.498 1 1 1283 . 9 1 1 A 118 118 GLY HA3 H 118 4.362 4.099 0.263 1 1 1284 . 9 1 1 A 118 118 GLY C C 118 174.901 175.381 -0.480 1 1 1285 . 9 1 1 A 118 118 GLY CA C 118 47.274 46.596 0.678 1 1 1286 . 9 1 1 A 118 118 GLY N N 118 112.143 108.180 3.963 1 1 1287 . 9 1 1 A 119 119 VAL H H 119 8.380 7.941 0.439 1 1 1288 . 9 1 1 A 119 119 VAL HA H 119 4.788 4.655 0.133 1 1 1296 . 9 1 1 A 119 119 VAL C C 119 174.901 175.687 -0.786 1 1 1297 . 9 1 1 A 119 119 VAL CA C 119 59.532 61.143 -1.611 1 1 1298 . 9 1 1 A 119 119 VAL CB C 119 32.509 32.569 -0.060 1 1 1301 . 9 1 1 A 119 119 VAL N N 119 102.475 116.747 -14.272 1 1 1302 . 9 1 1 A 120 120 TYR H H 120 6.841 7.702 -0.861 1 1 1303 . 9 1 1 A 120 120 TYR HA H 120 4.484 4.674 -0.190 1 1 1308 . 9 1 1 A 120 120 TYR C C 120 173.443 175.268 -1.825 1 1 1309 . 9 1 1 A 120 120 TYR CA C 120 54.929 57.088 -2.159 1 1 1310 . 9 1 1 A 120 120 TYR CB C 120 37.704 38.488 -0.784 1 1 1311 . 9 1 1 A 120 120 TYR N N 120 124.518 124.445 0.073 1 1 1312 . 9 1 1 A 121 121 ILE H H 121 9.244 9.029 0.215 1 1 1313 . 9 1 1 A 121 121 ILE HA H 121 4.419 4.040 0.379 1 1 1323 . 9 1 1 A 121 121 ILE C C 121 176.221 176.476 -0.255 1 1 1324 . 9 1 1 A 121 121 ILE CA C 121 62.014 62.428 -0.414 1 1 1325 . 9 1 1 A 121 121 ILE CB C 121 37.704 37.391 0.313 1 1 1329 . 9 1 1 A 121 121 ILE N N 121 128.772 129.124 -0.352 1 1 1330 . 9 1 1 A 122 122 LYS H H 122 9.328 8.959 0.369 1 1 1331 . 9 1 1 A 122 122 LYS HA H 122 3.588 3.544 0.044 1 1 1340 . 9 1 1 A 122 122 LYS C C 122 179.069 177.883 1.186 1 1 1341 . 9 1 1 A 122 122 LYS CA C 122 60.124 59.385 0.739 1 1 1342 . 9 1 1 A 122 122 LYS CB C 122 33.329 32.125 1.204 1 1 1346 . 9 1 1 A 122 122 LYS N N 122 134.955 130.323 4.632 1 1 1347 . 9 1 1 A 123 123 GLU H H 123 10.228 7.822 2.406 1 1 1348 . 9 1 1 A 123 123 GLU HA H 123 3.919 4.110 -0.191 1 1 1353 . 9 1 1 A 123 123 GLU C C 123 176.638 178.978 -2.340 1 1 1354 . 9 1 1 A 123 123 GLU CA C 123 61.218 58.770 2.448 1 1 1355 . 9 1 1 A 123 123 GLU CB C 123 29.228 30.142 -0.914 1 1 1357 . 9 1 1 A 123 123 GLU N N 123 115.624 119.257 -3.633 1 1 1358 . 9 1 1 A 124 124 LEU H H 124 6.480 7.933 -1.453 1 1 1359 . 9 1 1 A 124 124 LEU HA H 124 4.464 4.153 0.311 1 1 1369 . 9 1 1 A 124 124 LEU C C 124 175.403 176.271 -0.868 1 1 1370 . 9 1 1 A 124 124 LEU CA C 124 53.562 57.017 -3.455 1 1 1371 . 9 1 1 A 124 124 LEU CB C 124 44.813 42.477 2.336 1 1 1375 . 9 1 1 A 124 124 LEU N N 124 110.434 121.365 -10.931 1 1 1376 . 9 1 1 A 125 125 ARG H H 125 8.701 7.594 1.107 1 1 1377 . 9 1 1 A 125 125 ARG HA H 125 3.783 4.155 -0.372 1 1 1380 . 9 1 1 A 125 125 ARG C C 125 173.029 174.729 -1.700 1 1 1381 . 9 1 1 A 125 125 ARG CA C 125 57.664 57.295 0.369 1 1 1382 . 9 1 1 A 125 125 ARG CB C 125 30.965 27.123 3.842 1 1 1383 . 9 1 1 A 125 125 ARG N N 125 121.940 116.498 5.442 1 1 1384 . 9 1 1 A 126 126 LEU H H 126 6.671 7.512 -0.841 1 1 1385 . 9 1 1 A 126 126 LEU HA H 126 4.621 4.914 -0.293 1 1 1395 . 9 1 1 A 126 126 LEU C C 126 174.203 175.939 -1.736 1 1 1396 . 9 1 1 A 126 126 LEU CA C 126 51.922 53.299 -1.377 1 1 1397 . 9 1 1 A 126 126 LEU CB C 126 46.727 45.377 1.350 1 1 1401 . 9 1 1 A 126 126 LEU N N 126 111.885 118.334 -6.449 1 1 1402 . 9 1 1 A 127 127 LEU H H 127 8.447 8.718 -0.271 1 1 1403 . 9 1 1 A 127 127 LEU HA H 127 5.153 4.575 0.578 1 1 1413 . 9 1 1 A 127 127 LEU C C 127 175.145 177.486 -2.341 1 1 1414 . 9 1 1 A 127 127 LEU CA C 127 52.742 54.770 -2.028 1 1 1415 . 9 1 1 A 127 127 LEU CB C 127 43.172 42.254 0.918 1 1 1419 . 9 1 1 A 127 127 LEU N N 127 118.983 121.327 -2.344 1 1 1420 . 9 1 1 A 128 128 ALA H H 128 9.160 8.807 0.353 1 1 1421 . 9 1 1 A 128 128 ALA HA H 128 3.843 4.406 -0.563 1 1 1425 . 9 1 1 A 128 128 ALA C C 128 176.603 177.145 -0.542 1 1 1426 . 9 1 1 A 128 128 ALA CA C 128 52.469 52.480 -0.011 1 1 1427 . 9 1 1 A 128 128 ALA CB C 128 18.291 19.272 -0.981 1 1 1428 . 9 1 1 A 128 128 ALA N N 128 121.682 127.000 -5.318 1 1 1429 . 9 1 1 A 129 129 ARG H H 129 6.254 8.696 -2.442 1 1 1430 . 9 1 1 A 129 129 ARG HA H 129 4.700 4.889 -0.189 1 1 1436 . 9 1 1 A 129 129 ARG C C 129 176.534 175.180 1.354 1 1 1437 . 9 1 1 A 129 129 ARG CA C 129 55.651 56.101 -0.450 1 1 1438 . 9 1 1 A 129 129 ARG CB C 129 29.775 30.813 -1.038 1 1 1441 . 9 1 1 A 129 129 ARG N N 129 120.393 123.312 -2.919 1 1 1442 . 9 1 1 A 130 130 SER H H 130 8.398 8.847 -0.449 1 1 1443 . 9 1 1 A 130 130 SER HA H 130 4.767 5.105 -0.338 1 1 1446 . 9 1 1 A 130 130 SER C C 130 172.957 172.818 0.139 1 1 1447 . 9 1 1 A 130 130 SER CA C 130 57.658 57.567 0.091 1 1 1448 . 9 1 1 A 130 130 SER CB C 130 63.679 67.662 -3.983 1 1 1449 . 9 1 1 A 130 130 SER N N 130 120.264 122.426 -2.162 1 1 1450 . 9 1 1 A 131 131 VAL H H 131 7.838 8.250 -0.412 1 1 1451 . 9 1 1 A 131 131 VAL HA H 131 5.086 4.972 0.114 1 1 1459 . 9 1 1 A 131 131 VAL C C 131 172.853 173.177 -0.324 1 1 1460 . 9 1 1 A 131 131 VAL CA C 131 60.746 60.310 0.436 1 1 1461 . 9 1 1 A 131 131 VAL CB C 131 36.610 35.289 1.321 1 1 1464 . 9 1 1 A 131 131 VAL N N 131 118.460 120.799 -2.339 1 1 1465 . 9 1 1 A 132 132 PHE H H 132 9.259 9.484 -0.225 1 1 1466 . 9 1 1 A 132 132 PHE HA H 132 5.583 5.606 -0.023 1 1 1470 . 9 1 1 A 132 132 PHE C C 132 174.797 174.813 -0.016 1 1 1471 . 9 1 1 A 132 132 PHE CA C 132 56.296 56.140 0.156 1 1 1472 . 9 1 1 A 132 132 PHE CB C 132 44.539 44.087 0.452 1 1 1473 . 9 1 1 A 132 132 PHE N N 132 121.682 125.114 -3.432 1 1 1474 . 9 1 1 A 133 133 VAL H H 133 8.907 8.772 0.135 1 1 1475 . 9 1 1 A 133 133 VAL HA H 133 5.331 5.105 0.226 1 1 1483 . 9 1 1 A 133 133 VAL C C 133 174.450 174.530 -0.080 1 1 1484 . 9 1 1 A 133 133 VAL CA C 133 61.491 60.497 0.994 1 1 1485 . 9 1 1 A 133 133 VAL CB C 133 34.696 35.681 -0.985 1 1 1488 . 9 1 1 A 133 133 VAL N N 133 119.878 119.993 -0.115 1 1 1489 . 9 1 1 A 134 134 LEU H H 134 9.976 9.165 0.811 1 1 1490 . 9 1 1 A 134 134 LEU HA H 134 5.680 5.127 0.553 1 1 1500 . 9 1 1 A 134 134 LEU C C 134 176.777 174.066 2.711 1 1 1501 . 9 1 1 A 134 134 LEU CA C 134 52.195 54.254 -2.059 1 1 1502 . 9 1 1 A 134 134 LEU CB C 134 44.813 45.816 -1.003 1 1 1506 . 9 1 1 A 134 134 LEU N N 134 129.417 127.348 2.069 1 1 1507 . 9 1 1 A 135 135 ASP H H 135 9.051 9.183 -0.132 1 1 1508 . 9 1 1 A 135 135 ASP HA H 135 4.708 4.715 -0.007 1 1 1511 . 9 1 1 A 135 135 ASP C C 135 177.193 177.367 -0.174 1 1 1512 . 9 1 1 A 135 135 ASP CA C 135 52.276 53.845 -1.569 1 1 1513 . 9 1 1 A 135 135 ASP CB C 135 40.711 42.302 -1.591 1 1 1514 . 9 1 1 A 135 135 ASP N N 135 119.362 125.258 -5.896 1 1 1515 . 9 1 1 A 136 136 GLU H H 136 9.970 8.916 1.054 1 1 1516 . 9 1 1 A 136 136 GLU HA H 136 3.953 4.029 -0.076 1 1 1521 . 9 1 1 A 136 136 GLU C C 136 177.055 178.011 -0.956 1 1 1522 . 9 1 1 A 136 136 GLU CA C 136 58.757 59.327 -0.570 1 1 1523 . 9 1 1 A 136 136 GLU CB C 136 28.681 29.383 -0.702 1 1 1525 . 9 1 1 A 136 136 GLU N N 136 116.011 124.084 -8.073 1 1 1526 . 9 1 1 A 137 137 ASN H H 137 8.514 8.478 0.036 1 1 1527 . 9 1 1 A 137 137 ASN HA H 137 5.026 4.814 0.212 1 1 1532 . 9 1 1 A 137 137 ASN C C 137 175.943 175.829 0.114 1 1 1533 . 9 1 1 A 137 137 ASN CA C 137 52.753 53.220 -0.467 1 1 1534 . 9 1 1 A 137 137 ASN CB C 137 40.164 39.016 1.148 1 1 1535 . 9 1 1 A 137 137 ASN N N 137 117.042 115.956 1.086 1 1 1537 . 9 1 1 A 138 138 GLY H H 138 8.430 8.417 0.013 1 1 1538 . 9 1 1 A 138 138 GLY HA2 H 138 3.690 4.007 -0.317 1 1 1539 . 9 1 1 A 138 138 GLY HA3 H 138 4.213 4.037 0.176 1 1 1540 . 9 1 1 A 138 138 GLY C C 138 172.436 174.408 -1.972 1 1 1541 . 9 1 1 A 138 138 GLY CA C 138 46.180 45.104 1.076 1 1 1542 . 9 1 1 A 138 138 GLY N N 138 109.565 108.351 1.214 1 1 1543 . 9 1 1 A 139 139 LYS H H 139 8.573 8.000 0.573 1 1 1544 . 9 1 1 A 139 139 LYS HA H 139 4.472 4.306 0.166 1 1 1553 . 9 1 1 A 139 139 LYS C C 139 176.742 175.811 0.931 1 1 1554 . 9 1 1 A 139 139 LYS CA C 139 56.195 56.184 0.011 1 1 1555 . 9 1 1 A 139 139 LYS CB C 139 32.782 32.875 -0.093 1 1 1559 . 9 1 1 A 139 139 LYS N N 139 123.358 122.216 1.142 1 1 1560 . 9 1 1 A 140 140 VAL H H 140 9.102 8.525 0.577 1 1 1561 . 9 1 1 A 140 140 VAL HA H 140 4.293 4.472 -0.179 1 1 1569 . 9 1 1 A 140 140 VAL C C 140 177.124 176.143 0.981 1 1 1570 . 9 1 1 A 140 140 VAL CA C 140 63.952 62.322 1.630 1 1 1571 . 9 1 1 A 140 140 VAL CB C 140 31.142 32.377 -1.235 1 1 1574 . 9 1 1 A 140 140 VAL N N 140 125.292 124.693 0.599 1 1 1575 . 9 1 1 A 141 141 VAL H H 141 9.332 9.381 -0.049 1 1 1576 . 9 1 1 A 141 141 VAL HA H 141 4.670 4.303 0.367 1 1 1584 . 9 1 1 A 141 141 VAL C C 141 175.249 175.064 0.185 1 1 1585 . 9 1 1 A 141 141 VAL CA C 141 61.491 62.598 -1.107 1 1 1586 . 9 1 1 A 141 141 VAL CB C 141 32.509 33.326 -0.817 1 1 1589 . 9 1 1 A 141 141 VAL N N 141 124.261 124.783 -0.522 1 1 1590 . 9 1 1 A 142 142 TYR H H 142 7.959 7.521 0.438 1 1 1591 . 9 1 1 A 142 142 TYR HA H 142 4.389 4.778 -0.389 1 1 1596 . 9 1 1 A 142 142 TYR C C 142 172.262 173.429 -1.167 1 1 1597 . 9 1 1 A 142 142 TYR CA C 142 58.757 58.206 0.551 1 1 1598 . 9 1 1 A 142 142 TYR CB C 142 41.805 41.620 0.185 1 1 1599 . 9 1 1 A 142 142 TYR N N 142 122.198 120.904 1.294 1 1 1600 . 9 1 1 A 143 143 ALA H H 143 7.642 7.804 -0.162 1 1 1601 . 9 1 1 A 143 143 ALA HA H 143 4.883 4.488 0.395 1 1 1605 . 9 1 1 A 143 143 ALA C C 143 175.353 174.879 0.474 1 1 1606 . 9 1 1 A 143 143 ALA CA C 143 51.703 51.039 0.664 1 1 1607 . 9 1 1 A 143 143 ALA CB C 143 22.666 22.756 -0.090 1 1 1608 . 9 1 1 A 143 143 ALA N N 143 129.804 127.870 1.934 1 1 1609 . 9 1 1 A 144 144 GLU H H 144 8.292 8.177 0.115 1 1 1610 . 9 1 1 A 144 144 GLU HA H 144 4.297 4.639 -0.342 1 1 1615 . 9 1 1 A 144 144 GLU C C 144 173.860 173.860 0.000 1 1 1616 . 9 1 1 A 144 144 GLU CA C 144 56.296 55.214 1.082 1 1 1617 . 9 1 1 A 144 144 GLU CB C 144 32.509 33.306 -0.797 1 1 1619 . 9 1 1 A 144 144 GLU N N 144 122.198 121.616 0.582 1 1 1620 . 9 1 1 A 145 145 TYR H H 145 9.006 9.174 -0.168 1 1 1621 . 9 1 1 A 145 145 TYR HA H 145 4.125 5.137 -1.012 1 1 1626 . 9 1 1 A 145 145 TYR C C 145 175.164 175.280 -0.116 1 1 1627 . 9 1 1 A 145 145 TYR CA C 145 57.117 56.838 0.279 1 1 1628 . 9 1 1 A 145 145 TYR CB C 145 38.251 39.728 -1.477 1 1 1629 . 9 1 1 A 145 145 TYR N N 145 128.128 125.578 2.550 1 1 1630 . 9 1 1 A 146 146 VAL H H 146 7.441 8.809 -1.368 1 1 1631 . 9 1 1 A 146 146 VAL HA H 146 3.672 3.994 -0.322 1 1 1639 . 9 1 1 A 146 146 VAL C C 146 176.777 176.121 0.656 1 1 1640 . 9 1 1 A 146 146 VAL CA C 146 64.226 63.701 0.525 1 1 1641 . 9 1 1 A 146 146 VAL CB C 146 30.868 31.269 -0.401 1 1 1644 . 9 1 1 A 146 146 VAL N N 146 125.808 126.486 -0.678 1 1 1645 . 9 1 1 A 147 147 SER H H 147 8.359 8.849 -0.490 1 1 1646 . 9 1 1 A 147 147 SER HA H 147 4.007 4.263 -0.256 1 1 1649 . 9 1 1 A 147 147 SER C C 147 172.123 174.803 -2.680 1 1 1650 . 9 1 1 A 147 147 SER CA C 147 63.132 61.568 1.564 1 1 1651 . 9 1 1 A 147 147 SER CB C 147 62.859 62.907 -0.048 1 1 1652 . 9 1 1 A 147 147 SER N N 147 121.425 123.180 -1.755 1 1 1653 . 9 1 1 A 148 148 GLU H H 148 7.177 8.033 -0.856 1 1 1654 . 9 1 1 A 148 148 GLU HA H 148 5.055 4.866 0.189 1 1 1659 . 9 1 1 A 148 148 GLU C C 148 176.082 176.246 -0.164 1 1 1660 . 9 1 1 A 148 148 GLU CA C 148 52.563 55.353 -2.790 1 1 1661 . 9 1 1 A 148 148 GLU CB C 148 29.774 31.682 -1.908 1 1 1663 . 9 1 1 A 148 148 GLU N N 148 119.620 121.018 -1.398 1 1 1664 . 9 1 1 A 149 149 ALA H H 149 9.142 9.501 -0.359 1 1 1665 . 9 1 1 A 149 149 ALA HA H 149 4.704 4.111 0.593 1 1 1669 . 9 1 1 A 149 149 ALA C C 149 177.437 178.669 -1.232 1 1 1670 . 9 1 1 A 149 149 ALA CA C 149 54.466 55.038 -0.572 1 1 1671 . 9 1 1 A 149 149 ALA CB C 149 19.111 18.791 0.320 1 1 1672 . 9 1 1 A 149 149 ALA N N 149 127.741 129.515 -1.774 1 1 1673 . 9 1 1 A 150 150 THR H H 150 8.200 7.673 0.527 1 1 1674 . 9 1 1 A 150 150 THR HA H 150 4.393 4.372 0.021 1 1 1679 . 9 1 1 A 150 150 THR C C 150 174.554 173.529 1.025 1 1 1680 . 9 1 1 A 150 150 THR CA C 150 62.312 62.549 -0.237 1 1 1681 . 9 1 1 A 150 150 THR CB C 150 69.694 69.059 0.635 1 1 1683 . 9 1 1 A 150 150 THR N N 150 104.453 107.065 -2.612 1 1 1684 . 9 1 1 A 151 151 ASN H H 151 7.984 7.511 0.473 1 1 1685 . 9 1 1 A 151 151 ASN HA H 151 4.947 5.198 -0.251 1 1 1690 . 9 1 1 A 151 151 ASN C C 151 174.554 173.332 1.222 1 1 1691 . 9 1 1 A 151 151 ASN CA C 151 51.135 51.730 -0.595 1 1 1692 . 9 1 1 A 151 151 ASN CB C 151 39.344 42.452 -3.108 1 1 1693 . 9 1 1 A 151 151 ASN N N 151 123.487 119.743 3.744 1 1 1695 . 9 1 1 A 152 152 HIS H H 152 8.160 8.752 -0.592 1 1 1696 . 9 1 1 A 152 152 HIS HA H 152 4.731 5.647 -0.916 1 1 1700 . 9 1 1 A 152 152 HIS C C 152 174.381 173.392 0.989 1 1 1701 . 9 1 1 A 152 152 HIS CA C 152 54.854 53.219 1.635 1 1 1702 . 9 1 1 A 152 152 HIS CB C 152 31.415 33.012 -1.597 1 1 1703 . 9 1 1 A 152 152 HIS N N 152 116.139 116.226 -0.087 1 1 1704 . 9 1 1 A 153 153 PRO HA H 153 4.335 4.527 -0.192 1 1 1709 . 9 1 1 A 153 153 PRO C C 153 173.894 176.251 -2.357 1 1 1710 . 9 1 1 A 153 153 PRO CA C 153 61.491 62.123 -0.632 1 1 1711 . 9 1 1 A 153 153 PRO CB C 153 32.782 32.949 -0.167 1 1 1714 . 9 1 1 A 154 154 ASN H H 154 9.511 8.605 0.906 1 1 1715 . 9 1 1 A 154 154 ASN HA H 154 4.306 4.854 -0.548 1 1 1720 . 9 1 1 A 154 154 ASN C C 154 176.568 176.393 0.175 1 1 1721 . 9 1 1 A 154 154 ASN CA C 154 54.656 52.923 1.733 1 1 1722 . 9 1 1 A 154 154 ASN CB C 154 39.071 39.342 -0.271 1 1 1723 . 9 1 1 A 154 154 ASN N N 154 118.718 119.588 -0.870 1 1 1725 . 9 1 1 A 155 155 TYR H H 155 8.691 8.174 0.517 1 1 1726 . 9 1 1 A 155 155 TYR HA H 155 4.364 4.441 -0.077 1 1 1731 . 9 1 1 A 155 155 TYR C C 155 176.256 176.783 -0.527 1 1 1732 . 9 1 1 A 155 155 TYR CA C 155 59.304 57.625 1.679 1 1 1733 . 9 1 1 A 155 155 TYR CB C 155 39.344 39.147 0.197 1 1 1734 . 9 1 1 A 155 155 TYR N N 155 125.421 125.213 0.208 1 1 1735 . 9 1 1 A 156 156 GLU H H 156 8.200 8.188 0.012 1 1 1736 . 9 1 1 A 156 156 GLU HA H 156 4.415 3.947 0.468 1 1 1741 . 9 1 1 A 156 156 GLU C C 156 178.583 178.487 0.096 1 1 1742 . 9 1 1 A 156 156 GLU CA C 156 58.757 59.175 -0.418 1 1 1743 . 9 1 1 A 156 156 GLU CB C 156 30.868 29.102 1.766 1 1 1745 . 9 1 1 A 156 156 GLU N N 156 119.878 120.521 -0.643 1 1 1746 . 9 1 1 A 157 157 LYS H H 157 8.718 7.753 0.965 1 1 1747 . 9 1 1 A 157 157 LYS HA H 157 4.095 4.005 0.090 1 1 1756 . 9 1 1 A 157 157 LYS C C 157 176.152 175.295 0.857 1 1 1757 . 9 1 1 A 157 157 LYS CA C 157 60.398 61.292 -0.894 1 1 1758 . 9 1 1 A 157 157 LYS CB C 157 30.595 30.841 -0.246 1 1 1762 . 9 1 1 A 157 157 LYS N N 157 121.167 118.604 2.563 1 1 1763 . 9 1 1 A 158 158 PRO HA H 158 3.116 3.701 -0.585 1 1 1770 . 9 1 1 A 158 158 PRO C C 158 177.853 179.425 -1.572 1 1 1771 . 9 1 1 A 158 158 PRO CA C 158 65.319 64.856 0.463 1 1 1772 . 9 1 1 A 158 158 PRO CB C 158 30.595 30.411 0.184 1 1 1775 . 9 1 1 A 159 159 ILE H H 159 6.215 7.290 -1.075 1 1 1776 . 9 1 1 A 159 159 ILE HA H 159 3.594 3.913 -0.319 1 1 1786 . 9 1 1 A 159 159 ILE C C 159 177.610 177.795 -0.185 1 1 1787 . 9 1 1 A 159 159 ILE CA C 159 62.312 64.417 -2.105 1 1 1788 . 9 1 1 A 159 159 ILE CB C 159 35.516 38.111 -2.595 1 1 1792 . 9 1 1 A 159 159 ILE N N 159 113.948 116.479 -2.531 1 1 1793 . 9 1 1 A 160 160 GLU H H 160 7.572 8.742 -1.170 1 1 1794 . 9 1 1 A 160 160 GLU HA H 160 3.876 4.050 -0.174 1 1 1799 . 9 1 1 A 160 160 GLU C C 160 179.277 178.731 0.546 1 1 1800 . 9 1 1 A 160 160 GLU CA C 160 59.304 59.145 0.159 1 1 1801 . 9 1 1 A 160 160 GLU CB C 160 29.774 28.810 0.964 1 1 1803 . 9 1 1 A 160 160 GLU N N 160 119.104 119.910 -0.806 1 1 1804 . 9 1 1 A 161 161 ALA H H 161 7.902 7.795 0.107 1 1 1805 . 9 1 1 A 161 161 ALA HA H 161 4.137 4.205 -0.068 1 1 1809 . 9 1 1 A 161 161 ALA C C 161 179.485 180.073 -0.588 1 1 1810 . 9 1 1 A 161 161 ALA CA C 161 54.656 55.049 -0.393 1 1 1811 . 9 1 1 A 161 161 ALA CB C 161 18.017 17.986 0.031 1 1 1812 . 9 1 1 A 161 161 ALA N N 161 120.393 123.197 -2.804 1 1 1813 . 9 1 1 A 162 162 ALA H H 162 7.734 7.897 -0.163 1 1 1814 . 9 1 1 A 162 162 ALA HA H 162 3.950 4.102 -0.152 1 1 1818 . 9 1 1 A 162 162 ALA C C 162 179.485 179.735 -0.250 1 1 1819 . 9 1 1 A 162 162 ALA CA C 162 54.656 55.172 -0.516 1 1 1820 . 9 1 1 A 162 162 ALA CB C 162 19.111 18.109 1.002 1 1 1821 . 9 1 1 A 162 162 ALA N N 162 118.202 120.994 -2.792 1 1 1822 . 9 1 1 A 163 163 LYS H H 163 8.760 8.467 0.293 1 1 1823 . 9 1 1 A 163 163 LYS HA H 163 3.842 4.027 -0.185 1 1 1832 . 9 1 1 A 163 163 LYS C C 163 178.201 179.495 -1.294 1 1 1833 . 9 1 1 A 163 163 LYS CA C 163 59.578 59.264 0.314 1 1 1834 . 9 1 1 A 163 163 LYS CB C 163 32.782 32.181 0.601 1 1 1838 . 9 1 1 A 163 163 LYS N N 163 118.202 117.004 1.198 1 1 1839 . 9 1 1 A 164 164 ALA H H 164 7.216 8.251 -1.035 1 1 1840 . 9 1 1 A 164 164 ALA HA H 164 4.215 4.127 0.088 1 1 1844 . 9 1 1 A 164 164 ALA C C 164 178.339 179.681 -1.342 1 1 1845 . 9 1 1 A 164 164 ALA CA C 164 53.836 54.721 -0.885 1 1 1846 . 9 1 1 A 164 164 ALA CB C 164 18.291 18.564 -0.273 1 1 1847 . 9 1 1 A 164 164 ALA N N 164 117.557 121.385 -3.828 1 1 1848 . 9 1 1 A 165 165 LEU H H 165 7.503 7.647 -0.144 1 1 1849 . 9 1 1 A 165 165 LEU HA H 165 4.432 4.269 0.163 1 1 1859 . 9 1 1 A 165 165 LEU C C 165 177.714 178.890 -1.176 1 1 1860 . 9 1 1 A 165 165 LEU CA C 165 54.929 57.219 -2.290 1 1 1861 . 9 1 1 A 165 165 LEU CB C 165 44.256 42.471 1.785 1 1 1865 . 9 1 1 A 165 165 LEU N N 165 115.753 119.540 -3.787 1 1 1866 . 9 1 1 A 166 166 VAL H H 166 7.337 8.163 -0.826 1 1 1867 . 9 1 1 A 166 166 VAL HA H 166 4.103 3.530 0.573 1 1 1875 . 9 1 1 A 166 166 VAL C C 166 175.040 175.798 -0.758 1 1 1876 . 9 1 1 A 166 166 VAL CA C 166 62.859 66.888 -4.029 1 1 1877 . 9 1 1 A 166 166 VAL CB C 166 32.509 31.721 0.788 1 1 1880 . 9 1 1 A 166 166 VAL N N 166 118.589 117.887 0.702 1 1 1 . 10 1 1 A 2 2 ALA HA H 2 3.876 4.255 -0.379 1 1 5 . 10 1 1 A 2 2 ALA C C 2 172.590 176.489 -3.899 1 1 6 . 10 1 1 A 2 2 ALA CA C 2 51.922 52.384 -0.462 1 1 7 . 10 1 1 A 2 2 ALA CB C 2 18.924 18.802 0.122 1 1 8 . 10 1 1 A 3 3 GLU H H 3 8.262 7.413 0.849 1 1 9 . 10 1 1 A 3 3 GLU HA H 3 4.641 4.576 0.065 1 1 14 . 10 1 1 A 3 3 GLU C C 3 175.157 174.323 0.834 1 1 15 . 10 1 1 A 3 3 GLU CA C 3 55.476 55.734 -0.258 1 1 16 . 10 1 1 A 3 3 GLU CB C 3 31.142 33.104 -1.962 1 1 18 . 10 1 1 A 3 3 GLU N N 3 121.167 118.354 2.813 1 1 19 . 10 1 1 A 4 4 ILE H H 4 9.053 8.597 0.456 1 1 20 . 10 1 1 A 4 4 ILE HA H 4 5.361 4.976 0.385 1 1 30 . 10 1 1 A 4 4 ILE C C 4 175.817 174.506 1.311 1 1 31 . 10 1 1 A 4 4 ILE CA C 4 59.304 59.025 0.279 1 1 32 . 10 1 1 A 4 4 ILE CB C 4 42.079 42.518 -0.439 1 1 36 . 10 1 1 A 4 4 ILE N N 4 124.776 119.343 5.433 1 1 37 . 10 1 1 A 5 5 THR H H 5 8.977 8.332 0.645 1 1 38 . 10 1 1 A 5 5 THR HA H 5 5.141 5.340 -0.199 1 1 43 . 10 1 1 A 5 5 THR C C 5 173.483 173.411 0.072 1 1 44 . 10 1 1 A 5 5 THR CA C 5 59.304 60.170 -0.866 1 1 45 . 10 1 1 A 5 5 THR CB C 5 73.249 72.284 0.965 1 1 47 . 10 1 1 A 5 5 THR N N 5 112.659 116.422 -3.763 1 1 48 . 10 1 1 A 6 6 PHE H H 6 9.173 9.476 -0.303 1 1 49 . 10 1 1 A 6 6 PHE HA H 6 4.866 5.190 -0.324 1 1 53 . 10 1 1 A 6 6 PHE C C 6 175.591 175.133 0.458 1 1 54 . 10 1 1 A 6 6 PHE CA C 6 58.054 57.315 0.739 1 1 55 . 10 1 1 A 6 6 PHE CB C 6 42.625 42.341 0.284 1 1 56 . 10 1 1 A 6 6 PHE N N 6 119.362 124.733 -5.371 1 1 57 . 10 1 1 A 7 7 LYS H H 7 11.130 9.056 2.074 1 1 58 . 10 1 1 A 7 7 LYS HA H 7 3.567 4.080 -0.513 1 1 67 . 10 1 1 A 7 7 LYS C C 7 177.661 176.526 1.135 1 1 68 . 10 1 1 A 7 7 LYS CA C 7 57.390 57.141 0.249 1 1 69 . 10 1 1 A 7 7 LYS CB C 7 29.222 30.247 -1.025 1 1 73 . 10 1 1 A 7 7 LYS N N 7 134.058 126.060 7.998 1 1 74 . 10 1 1 A 8 8 GLY H H 8 8.965 8.913 0.052 1 1 75 . 10 1 1 A 8 8 GLY HA2 H 8 4.244 3.860 0.384 1 1 76 . 10 1 1 A 8 8 GLY HA3 H 8 3.528 3.865 -0.337 1 1 77 . 10 1 1 A 8 8 GLY C C 8 173.822 173.953 -0.131 1 1 78 . 10 1 1 A 8 8 GLY CA C 8 45.360 45.300 0.060 1 1 79 . 10 1 1 A 8 8 GLY N N 8 104.280 108.844 -4.564 1 1 80 . 10 1 1 A 9 9 GLY H H 9 7.942 8.409 -0.467 1 1 81 . 10 1 1 A 9 9 GLY HA2 H 9 4.815 4.193 0.622 1 1 82 . 10 1 1 A 9 9 GLY HA3 H 9 3.715 4.210 -0.495 1 1 83 . 10 1 1 A 9 9 GLY C C 9 171.262 173.401 -2.139 1 1 84 . 10 1 1 A 9 9 GLY CA C 9 43.172 44.936 -1.764 1 1 85 . 10 1 1 A 9 9 GLY N N 9 109.823 107.859 1.964 1 1 86 . 10 1 1 A 10 10 PRO HA H 10 4.640 4.467 0.173 1 1 93 . 10 1 1 A 10 10 PRO C C 10 177.097 176.350 0.747 1 1 94 . 10 1 1 A 10 10 PRO CA C 10 63.952 63.161 0.791 1 1 95 . 10 1 1 A 10 10 PRO CB C 10 32.509 32.430 0.079 1 1 98 . 10 1 1 A 11 11 VAL H H 11 7.770 8.327 -0.557 1 1 99 . 10 1 1 A 11 11 VAL HA H 11 4.632 4.908 -0.276 1 1 107 . 10 1 1 A 11 11 VAL C C 11 174.462 174.503 -0.041 1 1 108 . 10 1 1 A 11 11 VAL CA C 11 59.304 59.567 -0.263 1 1 109 . 10 1 1 A 11 11 VAL CB C 11 35.516 35.193 0.323 1 1 112 . 10 1 1 A 11 11 VAL N N 11 115.495 116.623 -1.128 1 1 113 . 10 1 1 A 12 12 THR H H 12 10.773 8.726 2.047 1 1 114 . 10 1 1 A 12 12 THR HA H 12 4.425 4.542 -0.117 1 1 119 . 10 1 1 A 12 12 THR C C 12 173.505 174.047 -0.542 1 1 120 . 10 1 1 A 12 12 THR CA C 12 62.312 62.710 -0.398 1 1 121 . 10 1 1 A 12 12 THR CB C 12 69.694 69.647 0.047 1 1 123 . 10 1 1 A 12 12 THR N N 12 121.940 121.918 0.022 1 1 124 . 10 1 1 A 13 13 LEU H H 13 8.524 8.676 -0.152 1 1 125 . 10 1 1 A 13 13 LEU HA H 13 5.132 4.892 0.240 1 1 135 . 10 1 1 A 13 13 LEU C C 13 177.285 176.822 0.463 1 1 136 . 10 1 1 A 13 13 LEU CA C 13 53.289 53.178 0.111 1 1 137 . 10 1 1 A 13 13 LEU CB C 13 42.352 44.407 -2.055 1 1 141 . 10 1 1 A 13 13 LEU N N 13 125.550 124.367 1.183 1 1 142 . 10 1 1 A 14 14 VAL H H 14 8.962 8.806 0.156 1 1 143 . 10 1 1 A 14 14 VAL HA H 14 3.859 3.831 0.028 1 1 151 . 10 1 1 A 14 14 VAL C C 14 174.604 177.591 -2.987 1 1 152 . 10 1 1 A 14 14 VAL CA C 14 62.312 65.942 -3.630 1 1 153 . 10 1 1 A 14 14 VAL CB C 14 32.509 32.410 0.099 1 1 156 . 10 1 1 A 14 14 VAL N N 14 126.968 121.733 5.235 1 1 157 . 10 1 1 A 15 15 GLY H H 15 7.838 7.943 -0.105 1 1 158 . 10 1 1 A 15 15 GLY HA2 H 15 5.132 4.026 1.106 1 1 159 . 10 1 1 A 15 15 GLY HA3 H 15 3.730 4.030 -0.300 1 1 160 . 10 1 1 A 15 15 GLY C C 15 174.542 174.150 0.392 1 1 161 . 10 1 1 A 15 15 GLY CA C 15 43.446 45.478 -2.032 1 1 162 . 10 1 1 A 15 15 GLY N N 15 110.596 109.131 1.465 1 1 163 . 10 1 1 A 16 16 GLN H H 16 8.247 7.639 0.608 1 1 164 . 10 1 1 A 16 16 GLN HA H 16 4.347 4.180 0.167 1 1 171 . 10 1 1 A 16 16 GLN C C 16 174.876 175.864 -0.988 1 1 172 . 10 1 1 A 16 16 GLN CA C 16 54.656 56.086 -1.430 1 1 173 . 10 1 1 A 16 16 GLN CB C 16 30.321 29.418 0.903 1 1 175 . 10 1 1 A 16 16 GLN N N 16 120.522 118.768 1.754 1 1 177 . 10 1 1 A 17 17 GLU H H 17 8.149 8.805 -0.656 1 1 178 . 10 1 1 A 17 17 GLU HA H 17 3.938 4.231 -0.293 1 1 183 . 10 1 1 A 17 17 GLU C C 17 176.607 176.024 0.583 1 1 184 . 10 1 1 A 17 17 GLU CA C 17 57.117 57.756 -0.639 1 1 185 . 10 1 1 A 17 17 GLU CB C 17 30.321 29.089 1.232 1 1 187 . 10 1 1 A 17 17 GLU N N 17 123.616 120.678 2.938 1 1 188 . 10 1 1 A 18 18 VAL H H 18 8.605 8.190 0.415 1 1 189 . 10 1 1 A 18 18 VAL HA H 18 4.047 3.960 0.087 1 1 197 . 10 1 1 A 18 18 VAL C C 18 174.386 175.717 -1.331 1 1 198 . 10 1 1 A 18 18 VAL CA C 18 61.765 63.300 -1.535 1 1 199 . 10 1 1 A 18 18 VAL CB C 18 32.782 31.798 0.984 1 1 202 . 10 1 1 A 18 18 VAL N N 18 125.936 121.040 4.896 1 1 203 . 10 1 1 A 19 19 LYS H H 19 8.461 8.706 -0.245 1 1 204 . 10 1 1 A 19 19 LYS HA H 19 4.624 4.897 -0.273 1 1 213 . 10 1 1 A 19 19 LYS C C 19 176.457 175.362 1.095 1 1 214 . 10 1 1 A 19 19 LYS CA C 19 53.562 54.235 -0.673 1 1 215 . 10 1 1 A 19 19 LYS CB C 19 34.423 35.776 -1.353 1 1 219 . 10 1 1 A 19 19 LYS N N 19 123.874 123.514 0.360 1 1 220 . 10 1 1 A 20 20 VAL H H 20 8.349 8.537 -0.188 1 1 221 . 10 1 1 A 20 20 VAL HA H 20 3.421 3.613 -0.192 1 1 229 . 10 1 1 A 20 20 VAL C C 20 177.624 177.279 0.345 1 1 230 . 10 1 1 A 20 20 VAL CA C 20 65.593 65.948 -0.355 1 1 231 . 10 1 1 A 20 20 VAL CB C 20 31.415 31.425 -0.010 1 1 234 . 10 1 1 A 20 20 VAL N N 20 120.393 120.724 -0.331 1 1 235 . 10 1 1 A 21 21 GLY H H 21 9.338 9.338 0.000 1 1 236 . 10 1 1 A 21 21 GLY HA2 H 21 4.566 4.025 0.541 1 1 237 . 10 1 1 A 21 21 GLY HA3 H 21 3.536 4.032 -0.496 1 1 238 . 10 1 1 A 21 21 GLY C C 21 174.160 174.480 -0.320 1 1 239 . 10 1 1 A 21 21 GLY CA C 21 44.539 45.569 -1.030 1 1 240 . 10 1 1 A 21 21 GLY N N 21 117.429 114.926 2.503 1 1 241 . 10 1 1 A 22 22 ASP H H 22 8.222 8.101 0.121 1 1 242 . 10 1 1 A 22 22 ASP HA H 22 4.650 4.532 0.118 1 1 245 . 10 1 1 A 22 22 ASP C C 22 176.231 175.768 0.463 1 1 246 . 10 1 1 A 22 22 ASP CA C 22 54.382 54.676 -0.294 1 1 247 . 10 1 1 A 22 22 ASP CB C 22 40.985 41.297 -0.312 1 1 248 . 10 1 1 A 22 22 ASP N N 22 121.811 121.505 0.306 1 1 249 . 10 1 1 A 23 23 GLN H H 23 8.598 7.977 0.621 1 1 250 . 10 1 1 A 23 23 GLN HA H 23 4.224 4.310 -0.086 1 1 257 . 10 1 1 A 23 23 GLN C C 23 175.892 174.207 1.685 1 1 258 . 10 1 1 A 23 23 GLN CA C 23 55.203 58.207 -3.004 1 1 259 . 10 1 1 A 23 23 GLN CB C 23 28.954 27.843 1.111 1 1 261 . 10 1 1 A 23 23 GLN N N 23 119.491 117.060 2.431 1 1 263 . 10 1 1 A 24 24 ALA H H 24 8.664 8.357 0.307 1 1 264 . 10 1 1 A 24 24 ALA HA H 24 4.030 4.480 -0.450 1 1 268 . 10 1 1 A 24 24 ALA C C 24 174.386 175.312 -0.926 1 1 269 . 10 1 1 A 24 24 ALA CA C 24 51.101 48.919 2.182 1 1 270 . 10 1 1 A 24 24 ALA CB C 24 19.111 21.859 -2.748 1 1 271 . 10 1 1 A 24 24 ALA N N 24 129.804 122.838 6.966 1 1 272 . 10 1 1 A 25 25 PRO HA H 25 4.422 4.652 -0.230 1 1 279 . 10 1 1 A 25 25 PRO C C 25 173.596 176.378 -2.782 1 1 280 . 10 1 1 A 25 25 PRO CA C 25 61.765 62.600 -0.835 1 1 281 . 10 1 1 A 25 25 PRO CB C 25 32.509 32.055 0.454 1 1 284 . 10 1 1 A 26 26 ASP H H 26 7.546 8.819 -1.273 1 1 285 . 10 1 1 A 26 26 ASP HA H 26 4.411 4.862 -0.451 1 1 288 . 10 1 1 A 26 26 ASP C C 26 175.591 174.951 0.640 1 1 289 . 10 1 1 A 26 26 ASP CA C 26 54.656 53.055 1.601 1 1 290 . 10 1 1 A 26 26 ASP CB C 26 42.625 39.210 3.415 1 1 291 . 10 1 1 A 26 26 ASP N N 26 114.979 123.231 -8.252 1 1 292 . 10 1 1 A 27 27 PHE H H 27 7.379 8.965 -1.586 1 1 293 . 10 1 1 A 27 27 PHE HA H 27 4.659 4.913 -0.254 1 1 295 . 10 1 1 A 27 27 PHE C C 27 173.407 176.074 -2.667 1 1 296 . 10 1 1 A 27 27 PHE CA C 27 56.570 57.961 -1.391 1 1 297 . 10 1 1 A 27 27 PHE CB C 27 39.891 41.096 -1.205 1 1 298 . 10 1 1 A 27 27 PHE N N 27 113.561 124.170 -10.609 1 1 299 . 10 1 1 A 28 28 THR H H 28 8.540 8.819 -0.279 1 1 300 . 10 1 1 A 28 28 THR HA H 28 4.936 5.212 -0.276 1 1 305 . 10 1 1 A 28 28 THR C C 28 173.443 173.928 -0.485 1 1 306 . 10 1 1 A 28 28 THR CA C 28 62.889 61.188 1.701 1 1 307 . 10 1 1 A 28 28 THR CB C 28 72.155 72.085 0.070 1 1 309 . 10 1 1 A 28 28 THR N N 28 114.593 115.045 -0.452 1 1 310 . 10 1 1 A 29 29 VAL H H 29 9.120 8.994 0.126 1 1 311 . 10 1 1 A 29 29 VAL HA H 29 4.863 4.918 -0.055 1 1 319 . 10 1 1 A 29 29 VAL C C 29 173.558 174.789 -1.231 1 1 320 . 10 1 1 A 29 29 VAL CA C 29 59.527 59.076 0.451 1 1 321 . 10 1 1 A 29 29 VAL CB C 29 35.243 35.261 -0.018 1 1 324 . 10 1 1 A 29 29 VAL N N 29 119.233 118.656 0.577 1 1 325 . 10 1 1 A 30 30 LEU H H 30 8.565 8.710 -0.145 1 1 326 . 10 1 1 A 30 30 LEU HA H 30 5.615 5.283 0.332 1 1 336 . 10 1 1 A 30 30 LEU C C 30 180.310 176.861 3.449 1 1 337 . 10 1 1 A 30 30 LEU CA C 30 53.562 53.186 0.376 1 1 338 . 10 1 1 A 30 30 LEU CB C 30 47.547 44.816 2.731 1 1 342 . 10 1 1 A 30 30 LEU N N 30 117.429 122.559 -5.130 1 1 343 . 10 1 1 A 31 31 THR H H 31 9.587 8.787 0.800 1 1 344 . 10 1 1 A 31 31 THR HA H 31 4.741 4.535 0.206 1 1 349 . 10 1 1 A 31 31 THR C C 31 176.457 175.614 0.843 1 1 350 . 10 1 1 A 31 31 THR CA C 31 60.632 60.485 0.147 1 1 351 . 10 1 1 A 31 31 THR CB C 31 71.451 71.601 -0.150 1 1 353 . 10 1 1 A 31 31 THR N N 31 114.721 114.319 0.402 1 1 354 . 10 1 1 A 32 32 ASN H H 32 9.812 8.991 0.821 1 1 355 . 10 1 1 A 32 32 ASN HA H 32 4.352 4.444 -0.092 1 1 358 . 10 1 1 A 32 32 ASN C C 32 175.252 177.001 -1.749 1 1 359 . 10 1 1 A 32 32 ASN CA C 32 55.476 56.076 -0.600 1 1 360 . 10 1 1 A 32 32 ASN CB C 32 38.524 38.166 0.358 1 1 361 . 10 1 1 A 32 32 ASN N N 32 118.460 120.731 -2.271 1 1 362 . 10 1 1 A 33 33 SER H H 33 7.782 7.783 -0.001 1 1 363 . 10 1 1 A 33 33 SER HA H 33 4.562 4.530 0.032 1 1 366 . 10 1 1 A 33 33 SER C C 33 173.822 173.230 0.592 1 1 367 . 10 1 1 A 33 33 SER CA C 33 57.390 58.351 -0.961 1 1 368 . 10 1 1 A 33 33 SER CB C 33 62.859 63.317 -0.458 1 1 369 . 10 1 1 A 33 33 SER N N 33 110.725 111.917 -1.192 1 1 370 . 10 1 1 A 34 34 LEU H H 34 8.342 8.005 0.337 1 1 371 . 10 1 1 A 34 34 LEU HA H 34 3.686 3.811 -0.125 1 1 381 . 10 1 1 A 34 34 LEU C C 34 175.516 175.424 0.092 1 1 382 . 10 1 1 A 34 34 LEU CA C 34 57.117 56.253 0.864 1 1 383 . 10 1 1 A 34 34 LEU CB C 34 37.430 39.830 -2.400 1 1 387 . 10 1 1 A 34 34 LEU N N 34 116.913 119.628 -2.715 1 1 388 . 10 1 1 A 35 35 GLU H H 35 7.538 7.913 -0.375 1 1 389 . 10 1 1 A 35 35 GLU HA H 35 4.546 4.662 -0.116 1 1 394 . 10 1 1 A 35 35 GLU C C 35 176.005 176.464 -0.459 1 1 395 . 10 1 1 A 35 35 GLU CA C 35 54.929 54.777 0.152 1 1 396 . 10 1 1 A 35 35 GLU CB C 35 30.868 31.069 -0.201 1 1 398 . 10 1 1 A 35 35 GLU N N 35 117.429 117.481 -0.052 1 1 399 . 10 1 1 A 36 36 GLU H H 36 8.681 8.659 0.022 1 1 400 . 10 1 1 A 36 36 GLU HA H 36 4.740 4.489 0.251 1 1 405 . 10 1 1 A 36 36 GLU C C 36 176.833 175.481 1.352 1 1 406 . 10 1 1 A 36 36 GLU CA C 36 56.923 57.139 -0.216 1 1 407 . 10 1 1 A 36 36 GLU CB C 36 30.868 30.445 0.423 1 1 409 . 10 1 1 A 36 36 GLU N N 36 121.296 121.922 -0.626 1 1 410 . 10 1 1 A 37 37 LYS H H 37 9.122 8.600 0.522 1 1 411 . 10 1 1 A 37 37 LYS HA H 37 4.639 4.672 -0.033 1 1 420 . 10 1 1 A 37 37 LYS C C 37 173.671 175.355 -1.684 1 1 421 . 10 1 1 A 37 37 LYS CA C 37 55.476 55.255 0.221 1 1 422 . 10 1 1 A 37 37 LYS CB C 37 35.243 35.294 -0.051 1 1 426 . 10 1 1 A 37 37 LYS N N 37 125.292 123.726 1.566 1 1 427 . 10 1 1 A 38 38 SER H H 38 9.337 8.999 0.338 1 1 428 . 10 1 1 A 38 38 SER HA H 38 5.310 4.493 0.817 1 1 431 . 10 1 1 A 38 38 SER C C 38 175.102 175.337 -0.235 1 1 432 . 10 1 1 A 38 38 SER CA C 38 56.296 58.694 -2.398 1 1 433 . 10 1 1 A 38 38 SER CB C 38 67.233 63.705 3.528 1 1 434 . 10 1 1 A 38 38 SER N N 38 121.811 123.409 -1.598 1 1 435 . 10 1 1 A 39 39 LEU H H 39 7.023 8.826 -1.803 1 1 436 . 10 1 1 A 39 39 LEU HA H 39 3.872 4.018 -0.146 1 1 446 . 10 1 1 A 39 39 LEU C C 39 179.845 178.448 1.397 1 1 447 . 10 1 1 A 39 39 LEU CA C 39 58.210 58.489 -0.279 1 1 448 . 10 1 1 A 39 39 LEU CB C 39 40.711 41.705 -0.994 1 1 452 . 10 1 1 A 39 39 LEU N N 39 121.811 127.541 -5.730 1 1 453 . 10 1 1 A 40 40 ALA H H 40 8.447 8.529 -0.082 1 1 454 . 10 1 1 A 40 40 ALA HA H 40 3.890 4.115 -0.225 1 1 458 . 10 1 1 A 40 40 ALA C C 40 179.995 179.880 0.115 1 1 459 . 10 1 1 A 40 40 ALA CA C 40 55.203 54.554 0.649 1 1 460 . 10 1 1 A 40 40 ALA CB C 40 18.291 18.374 -0.083 1 1 461 . 10 1 1 A 40 40 ALA N N 40 119.362 119.431 -0.069 1 1 462 . 10 1 1 A 41 41 ASP H H 41 7.517 8.200 -0.683 1 1 463 . 10 1 1 A 41 41 ASP HA H 41 4.469 4.362 0.107 1 1 466 . 10 1 1 A 41 41 ASP C C 41 176.720 178.533 -1.813 1 1 467 . 10 1 1 A 41 41 ASP CA C 41 56.296 56.999 -0.703 1 1 468 . 10 1 1 A 41 41 ASP CB C 41 42.079 40.722 1.357 1 1 469 . 10 1 1 A 41 41 ASP N N 41 114.850 118.912 -4.062 1 1 470 . 10 1 1 A 42 42 MET H H 42 7.989 8.082 -0.093 1 1 471 . 10 1 1 A 42 42 MET HA H 42 4.336 4.429 -0.093 1 1 479 . 10 1 1 A 42 42 MET C C 42 175.440 177.301 -1.861 1 1 480 . 10 1 1 A 42 42 MET CA C 42 56.843 58.313 -1.470 1 1 481 . 10 1 1 A 42 42 MET CB C 42 31.962 32.792 -0.830 1 1 484 . 10 1 1 A 42 42 MET N N 42 118.847 116.439 2.408 1 1 485 . 10 1 1 A 43 43 LYS H H 43 6.901 7.577 -0.676 1 1 486 . 10 1 1 A 43 43 LYS HA H 43 4.265 4.195 0.070 1 1 494 . 10 1 1 A 43 43 LYS C C 43 177.435 177.533 -0.098 1 1 495 . 10 1 1 A 43 43 LYS CA C 43 57.664 58.514 -0.850 1 1 496 . 10 1 1 A 43 43 LYS CB C 43 33.329 32.450 0.879 1 1 500 . 10 1 1 A 43 43 LYS N N 43 116.913 119.596 -2.683 1 1 501 . 10 1 1 A 44 44 GLY H H 44 9.268 9.121 0.147 1 1 502 . 10 1 1 A 44 44 GLY HA2 H 44 3.692 4.021 -0.329 1 1 503 . 10 1 1 A 44 44 GLY HA3 H 44 4.596 4.021 0.575 1 1 504 . 10 1 1 A 44 44 GLY C C 44 173.671 173.311 0.360 1 1 505 . 10 1 1 A 44 44 GLY CA C 44 44.813 45.077 -0.264 1 1 506 . 10 1 1 A 44 44 GLY N N 44 111.112 112.207 -1.095 1 1 507 . 10 1 1 A 45 45 LYS H H 45 7.516 7.824 -0.308 1 1 508 . 10 1 1 A 45 45 LYS HA H 45 4.754 4.817 -0.063 1 1 515 . 10 1 1 A 45 45 LYS C C 45 175.214 174.439 0.775 1 1 516 . 10 1 1 A 45 45 LYS CA C 45 54.820 55.030 -0.210 1 1 517 . 10 1 1 A 45 45 LYS CB C 45 36.883 36.117 0.766 1 1 521 . 10 1 1 A 45 45 LYS N N 45 117.944 121.177 -3.233 1 1 522 . 10 1 1 A 46 46 VAL H H 46 8.887 8.353 0.534 1 1 523 . 10 1 1 A 46 46 VAL HA H 46 3.950 4.109 -0.159 1 1 531 . 10 1 1 A 46 46 VAL C C 46 174.876 174.812 0.064 1 1 532 . 10 1 1 A 46 46 VAL CA C 46 64.773 62.953 1.820 1 1 533 . 10 1 1 A 46 46 VAL CB C 46 31.962 32.368 -0.406 1 1 536 . 10 1 1 A 46 46 VAL N N 46 124.776 125.496 -0.720 1 1 537 . 10 1 1 A 47 47 THR H H 47 8.956 8.926 0.030 1 1 538 . 10 1 1 A 47 47 THR HA H 47 5.300 5.380 -0.080 1 1 543 . 10 1 1 A 47 47 THR C C 47 172.579 173.536 -0.957 1 1 544 . 10 1 1 A 47 47 THR CA C 47 62.312 61.280 1.032 1 1 545 . 10 1 1 A 47 47 THR CB C 47 73.249 72.281 0.968 1 1 547 . 10 1 1 A 47 47 THR N N 47 124.132 123.872 0.260 1 1 548 . 10 1 1 A 48 48 ILE H H 48 9.160 8.998 0.162 1 1 549 . 10 1 1 A 48 48 ILE HA H 48 4.740 4.952 -0.212 1 1 559 . 10 1 1 A 48 48 ILE C C 48 173.972 175.342 -1.370 1 1 560 . 10 1 1 A 48 48 ILE CA C 48 61.441 60.353 1.088 1 1 561 . 10 1 1 A 48 48 ILE CB C 48 40.438 41.877 -1.439 1 1 565 . 10 1 1 A 48 48 ILE N N 48 128.515 124.701 3.814 1 1 566 . 10 1 1 A 49 49 ILE H H 49 9.507 9.255 0.252 1 1 567 . 10 1 1 A 49 49 ILE HA H 49 4.883 4.870 0.013 1 1 577 . 10 1 1 A 49 49 ILE C C 49 174.650 175.402 -0.752 1 1 578 . 10 1 1 A 49 49 ILE CA C 49 60.773 60.509 0.264 1 1 579 . 10 1 1 A 49 49 ILE CB C 49 41.532 40.692 0.840 1 1 583 . 10 1 1 A 49 49 ILE N N 49 126.194 128.111 -1.917 1 1 584 . 10 1 1 A 50 50 SER H H 50 9.079 9.259 -0.180 1 1 585 . 10 1 1 A 50 50 SER HA H 50 5.138 5.083 0.055 1 1 588 . 10 1 1 A 50 50 SER C C 50 172.692 173.929 -1.237 1 1 589 . 10 1 1 A 50 50 SER CA C 50 56.843 58.769 -1.926 1 1 590 . 10 1 1 A 50 50 SER CB C 50 64.773 64.303 0.470 1 1 591 . 10 1 1 A 50 50 SER N N 50 121.940 124.529 -2.589 1 1 592 . 10 1 1 A 51 51 VAL H H 51 9.010 8.873 0.137 1 1 593 . 10 1 1 A 51 51 VAL HA H 51 4.873 5.133 -0.260 1 1 601 . 10 1 1 A 51 51 VAL CA C 51 61.595 61.181 0.414 1 1 602 . 10 1 1 A 51 51 VAL CB C 51 32.509 35.071 -2.562 1 1 605 . 10 1 1 A 51 51 VAL N N 51 128.128 123.341 4.787 1 1 606 . 10 1 1 A 52 52 ILE H H 52 8.182 8.850 -0.668 1 1 607 . 10 1 1 A 52 52 ILE HA H 52 4.862 4.833 0.029 1 1 616 . 10 1 1 A 52 52 ILE CA C 52 58.026 57.251 0.775 1 1 617 . 10 1 1 A 52 52 ILE CB C 52 43.172 40.598 2.574 1 1 621 . 10 1 1 A 52 52 ILE N N 52 124.776 123.048 1.728 1 1 622 . 10 1 1 A 53 53 PRO HA H 53 4.904 4.630 0.274 1 1 629 . 10 1 1 A 53 53 PRO CA C 53 65.560 64.674 0.886 1 1 630 . 10 1 1 A 53 53 PRO CB C 53 31.826 32.621 -0.795 1 1 633 . 10 1 1 A 54 54 SER H H 54 7.214 7.795 -0.581 1 1 634 . 10 1 1 A 54 54 SER HA H 54 5.100 5.003 0.097 1 1 637 . 10 1 1 A 54 54 SER CA C 54 57.417 57.630 -0.213 1 1 638 . 10 1 1 A 54 54 SER CB C 54 65.195 68.036 -2.841 1 1 639 . 10 1 1 A 54 54 SER N N 54 107.901 113.068 -5.167 1 1 640 . 10 1 1 A 55 55 ILE H H 55 7.330 8.688 -1.358 1 1 641 . 10 1 1 A 55 55 ILE HA H 55 5.075 4.455 0.620 1 1 651 . 10 1 1 A 55 55 ILE CA C 55 61.734 61.382 0.352 1 1 652 . 10 1 1 A 55 55 ILE CB C 55 36.233 39.953 -3.720 1 1 656 . 10 1 1 A 56 56 ASP H H 56 8.699 8.179 0.520 1 1 657 . 10 1 1 A 56 56 ASP HA H 56 5.075 4.530 0.545 1 1 660 . 10 1 1 A 56 56 ASP CA C 56 54.407 56.110 -1.703 1 1 661 . 10 1 1 A 56 56 ASP CB C 56 42.832 40.996 1.836 1 1 662 . 10 1 1 A 56 56 ASP N N 56 121.940 121.476 0.464 1 1 663 . 10 1 1 A 57 57 THR H H 57 7.294 7.780 -0.486 1 1 664 . 10 1 1 A 57 57 THR HA H 57 4.323 4.232 0.091 1 1 669 . 10 1 1 A 57 57 THR C C 57 175.440 176.111 -0.671 1 1 670 . 10 1 1 A 57 57 THR CA C 57 61.765 63.482 -1.717 1 1 671 . 10 1 1 A 57 57 THR CB C 57 69.421 70.596 -1.175 1 1 673 . 10 1 1 A 57 57 THR N N 57 108.921 109.428 -0.507 1 1 674 . 10 1 1 A 58 58 GLY H H 58 8.215 7.933 0.282 1 1 675 . 10 1 1 A 58 58 GLY HA2 H 58 4.012 3.937 0.075 1 1 676 . 10 1 1 A 58 58 GLY HA3 H 58 4.012 3.939 0.073 1 1 677 . 10 1 1 A 58 58 GLY C C 58 173.520 175.358 -1.838 1 1 678 . 10 1 1 A 58 58 GLY CA C 58 45.360 45.407 -0.047 1 1 679 . 10 1 1 A 58 58 GLY N N 58 110.969 110.103 0.866 1 1 680 . 10 1 1 A 59 59 VAL H H 59 7.976 8.088 -0.112 1 1 681 . 10 1 1 A 59 59 VAL HA H 59 4.307 3.812 0.495 1 1 689 . 10 1 1 A 59 59 VAL C C 59 175.854 177.900 -2.046 1 1 690 . 10 1 1 A 59 59 VAL CA C 59 61.765 65.214 -3.449 1 1 691 . 10 1 1 A 59 59 VAL CB C 59 33.329 31.041 2.288 1 1 694 . 10 1 1 A 59 59 VAL N N 59 118.501 118.816 -0.315 1 1 696 . 10 1 1 A 61 61 ASP HA H 61 4.323 4.360 -0.037 1 1 697 . 10 1 1 A 61 61 ASP CA C 61 54.382 57.153 -2.771 1 1 698 . 10 1 1 A 61 61 ASP CB C 61 39.142 41.233 -2.091 1 1 699 . 10 1 1 A 62 62 ALA H H 62 8.663 7.735 0.928 1 1 700 . 10 1 1 A 62 62 ALA HA H 62 3.971 4.000 -0.029 1 1 704 . 10 1 1 A 62 62 ALA C C 62 180.485 177.900 2.585 1 1 705 . 10 1 1 A 62 62 ALA CA C 62 55.203 54.769 0.434 1 1 706 . 10 1 1 A 62 62 ALA CB C 62 18.838 19.120 -0.282 1 1 707 . 10 1 1 A 63 63 GLN H H 63 8.550 7.643 0.907 1 1 708 . 10 1 1 A 63 63 GLN HA H 63 3.865 4.358 -0.493 1 1 715 . 10 1 1 A 63 63 GLN C C 63 178.527 176.997 1.530 1 1 716 . 10 1 1 A 63 63 GLN CA C 63 59.346 56.949 2.397 1 1 717 . 10 1 1 A 63 63 GLN CB C 63 28.635 31.526 -2.891 1 1 719 . 10 1 1 A 63 63 GLN N N 63 117.429 116.022 1.407 1 1 721 . 10 1 1 A 64 64 THR H H 64 8.121 8.106 0.015 1 1 722 . 10 1 1 A 64 64 THR HA H 64 3.624 3.846 -0.222 1 1 727 . 10 1 1 A 64 64 THR C C 64 178.527 176.189 2.338 1 1 728 . 10 1 1 A 64 64 THR CA C 64 66.686 67.376 -0.690 1 1 729 . 10 1 1 A 64 64 THR CB C 64 68.600 68.428 0.172 1 1 731 . 10 1 1 A 64 64 THR N N 64 118.460 116.414 2.046 1 1 732 . 10 1 1 A 65 65 ARG H H 65 7.530 8.159 -0.629 1 1 733 . 10 1 1 A 65 65 ARG HA H 65 3.904 3.925 -0.021 1 1 739 . 10 1 1 A 65 65 ARG CA C 65 59.507 59.922 -0.415 1 1 740 . 10 1 1 A 65 65 ARG CB C 65 29.637 29.828 -0.191 1 1 743 . 10 1 1 A 66 66 ARG H H 66 7.972 7.693 0.279 1 1 744 . 10 1 1 A 66 66 ARG HA H 66 4.056 3.907 0.149 1 1 751 . 10 1 1 A 66 66 ARG C C 66 177.624 178.038 -0.414 1 1 752 . 10 1 1 A 66 66 ARG CA C 66 59.031 58.947 0.084 1 1 753 . 10 1 1 A 66 66 ARG CB C 66 29.228 29.710 -0.482 1 1 756 . 10 1 1 A 66 66 ARG N N 66 118.460 119.438 -0.978 1 1 757 . 10 1 1 A 67 67 PHE H H 67 7.673 7.795 -0.122 1 1 758 . 10 1 1 A 67 67 PHE HA H 67 4.260 4.156 0.104 1 1 763 . 10 1 1 A 67 67 PHE C C 67 176.043 177.448 -1.405 1 1 764 . 10 1 1 A 67 67 PHE CA C 67 60.945 61.159 -0.214 1 1 765 . 10 1 1 A 67 67 PHE CB C 67 39.071 38.851 0.220 1 1 766 . 10 1 1 A 67 67 PHE N N 67 119.362 120.329 -0.967 1 1 767 . 10 1 1 A 68 68 ASN H H 68 7.688 8.567 -0.879 1 1 768 . 10 1 1 A 68 68 ASN HA H 68 4.150 3.955 0.195 1 1 771 . 10 1 1 A 68 68 ASN C C 68 177.172 177.576 -0.404 1 1 772 . 10 1 1 A 68 68 ASN CA C 68 55.750 56.780 -1.030 1 1 773 . 10 1 1 A 68 68 ASN CB C 68 37.977 39.569 -1.592 1 1 774 . 10 1 1 A 68 68 ASN N N 68 117.042 117.338 -0.296 1 1 775 . 10 1 1 A 69 69 GLU H H 69 8.185 8.479 -0.294 1 1 776 . 10 1 1 A 69 69 GLU HA H 69 3.848 3.959 -0.111 1 1 781 . 10 1 1 A 69 69 GLU C C 69 179.468 179.039 0.429 1 1 782 . 10 1 1 A 69 69 GLU CA C 69 59.577 59.428 0.149 1 1 783 . 10 1 1 A 69 69 GLU CB C 69 30.321 29.209 1.112 1 1 785 . 10 1 1 A 69 69 GLU N N 69 118.975 119.209 -0.234 1 1 786 . 10 1 1 A 70 70 GLU H H 70 8.671 8.295 0.376 1 1 787 . 10 1 1 A 70 70 GLU HA H 70 3.807 3.984 -0.177 1 1 792 . 10 1 1 A 70 70 GLU C C 70 179.468 179.247 0.221 1 1 793 . 10 1 1 A 70 70 GLU CA C 70 58.757 58.961 -0.204 1 1 794 . 10 1 1 A 70 70 GLU CB C 70 29.501 29.468 0.033 1 1 796 . 10 1 1 A 70 70 GLU N N 70 118.975 119.200 -0.225 1 1 797 . 10 1 1 A 71 71 ALA H H 71 8.418 8.089 0.329 1 1 798 . 10 1 1 A 71 71 ALA HA H 71 3.616 3.923 -0.307 1 1 802 . 10 1 1 A 71 71 ALA C C 71 178.226 179.734 -1.508 1 1 803 . 10 1 1 A 71 71 ALA CA C 71 54.656 54.867 -0.211 1 1 804 . 10 1 1 A 71 71 ALA CB C 71 18.017 17.629 0.388 1 1 805 . 10 1 1 A 71 71 ALA N N 71 122.069 123.122 -1.053 1 1 806 . 10 1 1 A 72 72 ALA H H 72 7.520 7.905 -0.385 1 1 807 . 10 1 1 A 72 72 ALA HA H 72 3.842 3.955 -0.113 1 1 811 . 10 1 1 A 72 72 ALA C C 72 179.280 178.644 0.636 1 1 812 . 10 1 1 A 72 72 ALA CA C 72 54.109 54.784 -0.675 1 1 813 . 10 1 1 A 72 72 ALA CB C 72 18.564 18.167 0.397 1 1 814 . 10 1 1 A 72 72 ALA N N 72 116.139 119.493 -3.354 1 1 815 . 10 1 1 A 73 73 LYS H H 73 7.302 7.432 -0.130 1 1 816 . 10 1 1 A 73 73 LYS HA H 73 4.129 4.158 -0.029 1 1 825 . 10 1 1 A 73 73 LYS C C 73 177.661 179.150 -1.489 1 1 826 . 10 1 1 A 73 73 LYS CA C 73 57.116 57.800 -0.684 1 1 827 . 10 1 1 A 73 73 LYS CB C 73 32.782 32.365 0.417 1 1 831 . 10 1 1 A 73 73 LYS N N 73 114.850 116.909 -2.059 1 1 832 . 10 1 1 A 74 74 LEU H H 74 7.398 7.315 0.083 1 1 833 . 10 1 1 A 74 74 LEU HA H 74 3.983 4.019 -0.036 1 1 843 . 10 1 1 A 74 74 LEU C C 74 177.021 176.840 0.181 1 1 844 . 10 1 1 A 74 74 LEU CA C 74 56.843 57.018 -0.175 1 1 845 . 10 1 1 A 74 74 LEU CB C 74 42.625 42.831 -0.206 1 1 849 . 10 1 1 A 74 74 LEU N N 74 118.460 119.311 -0.851 1 1 850 . 10 1 1 A 75 75 GLY H H 75 7.174 7.252 -0.078 1 1 851 . 10 1 1 A 75 75 GLY HA2 H 75 4.215 4.061 0.154 1 1 852 . 10 1 1 A 75 75 GLY HA3 H 75 3.630 4.063 -0.433 1 1 853 . 10 1 1 A 75 75 GLY C C 75 172.805 173.512 -0.707 1 1 854 . 10 1 1 A 75 75 GLY CA C 75 45.360 45.625 -0.265 1 1 855 . 10 1 1 A 75 75 GLY N N 75 102.991 104.305 -1.314 1 1 856 . 10 1 1 A 76 76 ASP H H 76 8.825 8.649 0.176 1 1 857 . 10 1 1 A 76 76 ASP HA H 76 4.766 4.708 0.058 1 1 860 . 10 1 1 A 76 76 ASP C C 76 173.749 175.485 -1.736 1 1 861 . 10 1 1 A 76 76 ASP CA C 76 53.708 54.036 -0.328 1 1 862 . 10 1 1 A 76 76 ASP CB C 76 39.071 40.394 -1.323 1 1 863 . 10 1 1 A 76 76 ASP N N 76 126.839 120.810 6.029 1 1 864 . 10 1 1 A 77 77 VAL H H 77 7.511 7.409 0.102 1 1 865 . 10 1 1 A 77 77 VAL HA H 77 4.772 4.047 0.725 1 1 873 . 10 1 1 A 77 77 VAL C C 77 175.629 175.769 -0.140 1 1 874 . 10 1 1 A 77 77 VAL CA C 77 58.959 62.058 -3.099 1 1 875 . 10 1 1 A 77 77 VAL CB C 77 34.970 32.518 2.452 1 1 878 . 10 1 1 A 77 77 VAL N N 77 115.615 117.751 -2.136 1 1 879 . 10 1 1 A 78 78 ASN H H 78 8.822 8.623 0.199 1 1 880 . 10 1 1 A 78 78 ASN HA H 78 4.820 4.680 0.140 1 1 885 . 10 1 1 A 78 78 ASN C C 78 174.047 174.317 -0.270 1 1 886 . 10 1 1 A 78 78 ASN CA C 78 52.085 53.568 -1.483 1 1 887 . 10 1 1 A 78 78 ASN CB C 78 40.438 38.585 1.853 1 1 888 . 10 1 1 A 78 78 ASN N N 78 120.393 122.727 -2.334 1 1 890 . 10 1 1 A 79 79 VAL H H 79 8.044 7.932 0.112 1 1 891 . 10 1 1 A 79 79 VAL HA H 79 4.669 4.732 -0.063 1 1 899 . 10 1 1 A 79 79 VAL C C 79 174.123 172.783 1.340 1 1 900 . 10 1 1 A 79 79 VAL CA C 79 61.491 59.893 1.598 1 1 901 . 10 1 1 A 79 79 VAL CB C 79 33.329 34.658 -1.329 1 1 904 . 10 1 1 A 79 79 VAL N N 79 122.456 119.534 2.922 1 1 905 . 10 1 1 A 80 80 TYR H H 80 8.944 8.928 0.016 1 1 906 . 10 1 1 A 80 80 TYR HA H 80 6.170 5.302 0.868 1 1 911 . 10 1 1 A 80 80 TYR C C 80 177.210 175.249 1.961 1 1 912 . 10 1 1 A 80 80 TYR CA C 80 54.929 55.967 -1.038 1 1 913 . 10 1 1 A 80 80 TYR CB C 80 42.899 42.799 0.100 1 1 914 . 10 1 1 A 80 80 TYR N N 80 123.229 126.604 -3.375 1 1 915 . 10 1 1 A 81 81 THR H H 81 8.465 8.682 -0.217 1 1 916 . 10 1 1 A 81 81 THR HA H 81 5.652 5.014 0.638 1 1 921 . 10 1 1 A 81 81 THR C C 81 172.880 173.724 -0.844 1 1 922 . 10 1 1 A 81 81 THR CA C 81 62.038 61.380 0.658 1 1 923 . 10 1 1 A 81 81 THR CB C 81 71.608 70.528 1.080 1 1 925 . 10 1 1 A 81 81 THR N N 81 119.491 116.171 3.320 1 1 926 . 10 1 1 A 82 82 ILE H H 82 8.958 9.411 -0.453 1 1 927 . 10 1 1 A 82 82 ILE HA H 82 5.145 4.361 0.784 1 1 937 . 10 1 1 A 82 82 ILE C C 82 174.123 175.465 -1.342 1 1 938 . 10 1 1 A 82 82 ILE CA C 82 59.847 62.215 -2.368 1 1 939 . 10 1 1 A 82 82 ILE CB C 82 39.618 37.817 1.801 1 1 943 . 10 1 1 A 82 82 ILE N N 82 125.550 129.053 -3.503 1 1 944 . 10 1 1 A 83 83 SER H H 83 7.731 8.985 -1.254 1 1 945 . 10 1 1 A 83 83 SER HA H 83 4.909 5.350 -0.441 1 1 948 . 10 1 1 A 83 83 SER C C 83 173.182 173.455 -0.273 1 1 949 . 10 1 1 A 83 83 SER CA C 83 57.034 57.842 -0.808 1 1 950 . 10 1 1 A 83 83 SER CB C 83 68.054 67.026 1.028 1 1 951 . 10 1 1 A 83 83 SER N N 83 117.171 123.595 -6.424 1 1 952 . 10 1 1 A 84 84 ALA H H 84 9.548 8.786 0.762 1 1 953 . 10 1 1 A 84 84 ALA HA H 84 4.177 4.609 -0.432 1 1 957 . 10 1 1 A 84 84 ALA C C 84 175.290 178.147 -2.857 1 1 958 . 10 1 1 A 84 84 ALA CA C 84 51.922 52.104 -0.182 1 1 959 . 10 1 1 A 84 84 ALA CB C 84 19.111 20.232 -1.121 1 1 960 . 10 1 1 A 84 84 ALA N N 84 120.651 125.568 -4.917 1 1 961 . 10 1 1 A 85 85 ASP H H 85 7.739 8.560 -0.821 1 1 962 . 10 1 1 A 85 85 ASP HA H 85 4.380 4.452 -0.072 1 1 965 . 10 1 1 A 85 85 ASP C C 85 175.591 176.356 -0.765 1 1 966 . 10 1 1 A 85 85 ASP CA C 85 55.136 55.897 -0.761 1 1 967 . 10 1 1 A 85 85 ASP CB C 85 43.011 40.979 2.032 1 1 968 . 10 1 1 A 85 85 ASP N N 85 114.721 120.076 -5.355 1 1 969 . 10 1 1 A 86 86 LEU H H 86 8.475 7.200 1.275 1 1 970 . 10 1 1 A 86 86 LEU HA H 86 3.956 4.303 -0.347 1 1 980 . 10 1 1 A 86 86 LEU CA C 86 54.656 53.221 1.435 1 1 981 . 10 1 1 A 86 86 LEU CB C 86 39.380 43.452 -4.072 1 1 985 . 10 1 1 A 87 87 PRO HA H 87 4.225 4.140 0.085 1 1 992 . 10 1 1 A 87 87 PRO CA C 87 65.046 64.966 0.080 1 1 993 . 10 1 1 A 87 87 PRO CB C 87 32.264 31.395 0.869 1 1 996 . 10 1 1 A 88 88 PHE H H 88 5.565 7.859 -2.294 1 1 997 . 10 1 1 A 88 88 PHE HA H 88 4.340 4.438 -0.098 1 1 1000 . 10 1 1 A 88 88 PHE CA C 88 57.664 60.064 -2.400 1 1 1001 . 10 1 1 A 88 88 PHE CB C 88 39.344 38.016 1.328 1 1 1002 . 10 1 1 A 88 88 PHE N N 88 110.725 116.487 -5.762 1 1 1003 . 10 1 1 A 89 89 ALA H H 89 7.381 7.982 -0.601 1 1 1004 . 10 1 1 A 89 89 ALA HA H 89 4.239 4.414 -0.175 1 1 1008 . 10 1 1 A 89 89 ALA CA C 89 52.009 52.464 -0.455 1 1 1009 . 10 1 1 A 89 89 ALA CB C 89 19.761 19.849 -0.088 1 1 1010 . 10 1 1 A 89 89 ALA N N 89 114.850 120.508 -5.658 1 1 1011 . 10 1 1 A 90 90 GLN H H 90 7.231 7.933 -0.702 1 1 1012 . 10 1 1 A 90 90 GLN HA H 90 3.695 4.510 -0.815 1 1 1018 . 10 1 1 A 90 90 GLN CA C 90 59.578 56.459 3.119 1 1 1019 . 10 1 1 A 90 90 GLN CB C 90 28.728 31.229 -2.501 1 1 1022 . 10 1 1 A 91 91 ALA H H 91 7.741 8.420 -0.679 1 1 1023 . 10 1 1 A 91 91 ALA HA H 91 4.202 3.752 0.450 1 1 1027 . 10 1 1 A 91 91 ALA CA C 91 54.382 54.635 -0.253 1 1 1028 . 10 1 1 A 91 91 ALA CB C 91 18.837 18.039 0.798 1 1 1029 . 10 1 1 A 91 91 ALA N N 91 118.589 122.723 -4.134 1 1 1030 . 10 1 1 A 92 92 ARG H H 92 7.354 7.408 -0.054 1 1 1031 . 10 1 1 A 92 92 ARG HA H 92 4.588 3.866 0.722 1 1 1038 . 10 1 1 A 92 92 ARG CA C 92 55.476 55.322 0.154 1 1 1039 . 10 1 1 A 92 92 ARG CB C 92 30.048 30.375 -0.327 1 1 1042 . 10 1 1 A 93 93 TRP H H 93 7.767 7.939 -0.172 1 1 1043 . 10 1 1 A 93 93 TRP HA H 93 4.881 4.300 0.581 1 1 1050 . 10 1 1 A 93 93 TRP CA C 93 57.534 58.111 -0.577 1 1 1051 . 10 1 1 A 93 93 TRP CB C 93 29.501 26.959 2.542 1 1 1052 . 10 1 1 A 93 93 TRP N N 93 121.927 118.835 3.092 1 1 1054 . 10 1 1 A 94 94 CYS HA H 94 3.901 4.399 -0.498 1 1 1057 . 10 1 1 A 94 94 CYS CA C 94 59.577 58.921 0.656 1 1 1058 . 10 1 1 A 94 94 CYS CB C 94 43.446 42.426 1.020 1 1 1059 . 10 1 1 A 95 95 GLY HA2 H 95 5.122 3.964 1.158 1 1 1060 . 10 1 1 A 95 95 GLY HA3 H 95 3.691 3.981 -0.290 1 1 1061 . 10 1 1 A 95 95 GLY CA C 95 45.511 45.706 -0.195 1 1 1062 . 10 1 1 A 96 96 ALA H H 96 7.504 7.872 -0.368 1 1 1063 . 10 1 1 A 96 96 ALA HA H 96 4.412 4.513 -0.101 1 1 1067 . 10 1 1 A 96 96 ALA CA C 96 51.699 51.266 0.433 1 1 1068 . 10 1 1 A 96 96 ALA CB C 96 21.025 19.489 1.536 1 1 1069 . 10 1 1 A 96 96 ALA N N 96 121.579 119.826 1.753 1 1 1070 . 10 1 1 A 97 97 ASN H H 97 7.345 8.239 -0.894 1 1 1071 . 10 1 1 A 97 97 ASN HA H 97 4.551 4.967 -0.416 1 1 1076 . 10 1 1 A 97 97 ASN CA C 97 54.929 52.536 2.393 1 1 1077 . 10 1 1 A 97 97 ASN CB C 97 39.071 41.581 -2.510 1 1 1079 . 10 1 1 A 98 98 GLY H H 98 8.890 8.773 0.117 1 1 1080 . 10 1 1 A 98 98 GLY HA2 H 98 3.796 3.931 -0.135 1 1 1081 . 10 1 1 A 98 98 GLY HA3 H 98 4.070 3.938 0.132 1 1 1082 . 10 1 1 A 98 98 GLY C C 98 174.160 173.672 0.488 1 1 1083 . 10 1 1 A 98 98 GLY CA C 98 45.841 45.516 0.325 1 1 1084 . 10 1 1 A 99 99 ILE H H 99 7.739 7.820 -0.081 1 1 1085 . 10 1 1 A 99 99 ILE HA H 99 4.198 4.353 -0.155 1 1 1095 . 10 1 1 A 99 99 ILE C C 99 175.561 175.590 -0.029 1 1 1096 . 10 1 1 A 99 99 ILE CA C 99 60.671 60.365 0.306 1 1 1097 . 10 1 1 A 99 99 ILE CB C 99 38.524 38.755 -0.231 1 1 1101 . 10 1 1 A 99 99 ILE N N 99 120.780 122.822 -2.042 1 1 1102 . 10 1 1 A 100 100 ASP H H 100 8.372 8.346 0.026 1 1 1103 . 10 1 1 A 100 100 ASP HA H 100 4.426 4.184 0.242 1 1 1106 . 10 1 1 A 100 100 ASP C C 100 176.325 177.769 -1.444 1 1 1107 . 10 1 1 A 100 100 ASP CA C 100 56.023 57.039 -1.016 1 1 1108 . 10 1 1 A 100 100 ASP CB C 100 40.985 40.625 0.360 1 1 1109 . 10 1 1 A 100 100 ASP N N 100 126.194 127.634 -1.440 1 1 1110 . 10 1 1 A 101 101 LYS H H 101 8.081 7.811 0.270 1 1 1111 . 10 1 1 A 101 101 LYS HA H 101 4.052 4.212 -0.160 1 1 1120 . 10 1 1 A 101 101 LYS C C 101 175.874 177.449 -1.575 1 1 1121 . 10 1 1 A 101 101 LYS CA C 101 58.210 57.955 0.255 1 1 1122 . 10 1 1 A 101 101 LYS CB C 101 31.689 32.369 -0.680 1 1 1126 . 10 1 1 A 101 101 LYS N N 101 115.366 116.756 -1.390 1 1 1127 . 10 1 1 A 102 102 VAL H H 102 7.631 7.718 -0.087 1 1 1128 . 10 1 1 A 102 102 VAL HA H 102 4.419 4.143 0.276 1 1 1136 . 10 1 1 A 102 102 VAL C C 102 175.145 175.579 -0.434 1 1 1137 . 10 1 1 A 102 102 VAL CA C 102 61.919 62.226 -0.307 1 1 1138 . 10 1 1 A 102 102 VAL CB C 102 32.782 32.482 0.300 1 1 1141 . 10 1 1 A 102 102 VAL N N 102 119.362 119.634 -0.272 1 1 1142 . 10 1 1 A 103 103 GLU H H 103 8.489 8.314 0.175 1 1 1143 . 10 1 1 A 103 103 GLU HA H 103 4.931 4.853 0.078 1 1 1148 . 10 1 1 A 103 103 GLU C C 103 175.943 175.722 0.221 1 1 1149 . 10 1 1 A 103 103 GLU CA C 103 55.140 54.845 0.295 1 1 1150 . 10 1 1 A 103 103 GLU CB C 103 33.329 33.969 -0.640 1 1 1152 . 10 1 1 A 103 103 GLU N N 103 126.581 125.191 1.390 1 1 1153 . 10 1 1 A 104 104 THR H H 104 8.690 8.570 0.120 1 1 1154 . 10 1 1 A 104 104 THR HA H 104 5.292 5.135 0.157 1 1 1159 . 10 1 1 A 104 104 THR C C 104 173.165 173.947 -0.782 1 1 1160 . 10 1 1 A 104 104 THR CA C 104 58.757 60.403 -1.646 1 1 1161 . 10 1 1 A 104 104 THR CB C 104 69.967 70.568 -0.601 1 1 1163 . 10 1 1 A 104 104 THR N N 104 114.979 116.044 -1.065 1 1 1164 . 10 1 1 A 105 105 LEU H H 105 8.635 8.972 -0.337 1 1 1165 . 10 1 1 A 105 105 LEU HA H 105 4.979 5.100 -0.121 1 1 1175 . 10 1 1 A 105 105 LEU C C 105 176.985 176.142 0.843 1 1 1176 . 10 1 1 A 105 105 LEU CA C 105 52.849 53.535 -0.686 1 1 1177 . 10 1 1 A 105 105 LEU CB C 105 45.633 45.856 -0.223 1 1 1181 . 10 1 1 A 105 105 LEU N N 105 119.233 124.408 -5.175 1 1 1182 . 10 1 1 A 106 106 SER H H 106 9.670 9.310 0.360 1 1 1183 . 10 1 1 A 106 106 SER HA H 106 5.485 5.051 0.434 1 1 1186 . 10 1 1 A 106 106 SER C C 106 176.256 174.718 1.538 1 1 1187 . 10 1 1 A 106 106 SER CA C 106 56.570 56.958 -0.388 1 1 1188 . 10 1 1 A 106 106 SER CB C 106 65.593 63.966 1.627 1 1 1189 . 10 1 1 A 106 106 SER N N 106 114.979 117.894 -2.915 1 1 1190 . 10 1 1 A 107 107 ASP H H 107 8.764 7.956 0.808 1 1 1191 . 10 1 1 A 107 107 ASP HA H 107 5.517 4.148 1.369 1 1 1194 . 10 1 1 A 107 107 ASP CA C 107 52.753 57.691 -4.938 1 1 1195 . 10 1 1 A 107 107 ASP CB C 107 45.086 41.467 3.619 1 1 1196 . 10 1 1 A 107 107 ASP N N 107 132.898 123.068 9.830 1 1 1197 . 10 1 1 A 108 108 HIS H H 108 7.940 8.435 -0.495 1 1 1198 . 10 1 1 A 108 108 HIS HA H 108 4.075 4.103 -0.028 1 1 1200 . 10 1 1 A 108 108 HIS CA C 108 59.577 59.735 -0.158 1 1 1201 . 10 1 1 A 108 108 HIS CB C 108 29.861 30.057 -0.196 1 1 1202 . 10 1 1 A 108 108 HIS N N 108 116.397 119.137 -2.740 1 1 1203 . 10 1 1 A 109 109 ARG HA H 109 4.214 4.052 0.162 1 1 1206 . 10 1 1 A 109 109 ARG CA C 109 59.031 58.648 0.383 1 1 1207 . 10 1 1 A 109 109 ARG CB C 109 27.861 30.040 -2.179 1 1 1208 . 10 1 1 A 110 110 ASP HA H 110 4.867 4.934 -0.067 1 1 1211 . 10 1 1 A 110 110 ASP C C 110 175.735 176.103 -0.368 1 1 1212 . 10 1 1 A 110 110 ASP CA C 110 53.708 54.502 -0.794 1 1 1213 . 10 1 1 A 110 110 ASP CB C 110 43.875 42.982 0.893 1 1 1214 . 10 1 1 A 111 111 MET H H 111 7.899 8.660 -0.761 1 1 1215 . 10 1 1 A 111 111 MET HA H 111 4.503 4.121 0.382 1 1 1221 . 10 1 1 A 111 111 MET C C 111 177.332 175.822 1.510 1 1 1222 . 10 1 1 A 111 111 MET CA C 111 56.570 57.203 -0.633 1 1 1223 . 10 1 1 A 111 111 MET CB C 111 30.868 30.720 0.148 1 1 1226 . 10 1 1 A 111 111 MET N N 111 116.397 117.196 -0.799 1 1 1227 . 10 1 1 A 112 112 SER H H 112 7.931 8.306 -0.375 1 1 1228 . 10 1 1 A 112 112 SER HA H 112 4.248 4.269 -0.021 1 1 1231 . 10 1 1 A 112 112 SER C C 112 179.173 176.508 2.665 1 1 1232 . 10 1 1 A 112 112 SER CA C 112 60.945 62.437 -1.492 1 1 1233 . 10 1 1 A 112 112 SER CB C 112 64.499 63.043 1.456 1 1 1234 . 10 1 1 A 112 112 SER N N 112 113.561 116.277 -2.716 1 1 1235 . 10 1 1 A 113 113 PHE H H 113 10.125 7.754 2.371 1 1 1236 . 10 1 1 A 113 113 PHE HA H 113 3.593 4.331 -0.738 1 1 1241 . 10 1 1 A 113 113 PHE C C 113 177.437 178.056 -0.619 1 1 1242 . 10 1 1 A 113 113 PHE CA C 113 62.312 61.305 1.007 1 1 1243 . 10 1 1 A 113 113 PHE CB C 113 37.704 39.102 -1.398 1 1 1244 . 10 1 1 A 113 113 PHE N N 113 125.550 122.539 3.011 1 1 1245 . 10 1 1 A 114 114 GLY H H 114 10.707 8.673 2.034 1 1 1246 . 10 1 1 A 114 114 GLY HA2 H 114 3.396 3.669 -0.273 1 1 1247 . 10 1 1 A 114 114 GLY HA3 H 114 3.218 3.726 -0.508 1 1 1248 . 10 1 1 A 114 114 GLY C C 114 175.735 176.172 -0.437 1 1 1249 . 10 1 1 A 114 114 GLY CA C 114 48.641 47.353 1.288 1 1 1250 . 10 1 1 A 114 114 GLY N N 114 109.178 105.257 3.921 1 1 1251 . 10 1 1 A 115 115 GLU H H 115 8.251 8.230 0.021 1 1 1252 . 10 1 1 A 115 115 GLU HA H 115 4.431 4.150 0.281 1 1 1257 . 10 1 1 A 115 115 GLU C C 115 178.756 179.174 -0.418 1 1 1258 . 10 1 1 A 115 115 GLU CA C 115 59.031 59.922 -0.891 1 1 1259 . 10 1 1 A 115 115 GLU CB C 115 29.775 29.614 0.161 1 1 1261 . 10 1 1 A 115 115 GLU N N 115 120.522 121.458 -0.936 1 1 1262 . 10 1 1 A 116 116 ALA H H 116 7.895 7.970 -0.075 1 1 1263 . 10 1 1 A 116 116 ALA HA H 116 4.111 3.688 0.423 1 1 1267 . 10 1 1 A 116 116 ALA C C 116 177.610 179.411 -1.801 1 1 1268 . 10 1 1 A 116 116 ALA CA C 116 55.476 54.746 0.730 1 1 1269 . 10 1 1 A 116 116 ALA CB C 116 18.838 17.691 1.147 1 1 1270 . 10 1 1 A 116 116 ALA N N 116 123.100 122.615 0.485 1 1 1271 . 10 1 1 A 117 117 PHE H H 117 8.161 7.824 0.337 1 1 1272 . 10 1 1 A 117 117 PHE HA H 117 4.262 4.303 -0.041 1 1 1277 . 10 1 1 A 117 117 PHE C C 117 175.353 175.770 -0.417 1 1 1278 . 10 1 1 A 117 117 PHE CA C 117 56.843 57.666 -0.823 1 1 1279 . 10 1 1 A 117 117 PHE CB C 117 38.251 38.706 -0.455 1 1 1280 . 10 1 1 A 117 117 PHE N N 117 113.432 113.928 -0.496 1 1 1281 . 10 1 1 A 118 118 GLY H H 118 7.685 7.743 -0.058 1 1 1282 . 10 1 1 A 118 118 GLY HA2 H 118 3.544 4.028 -0.484 1 1 1283 . 10 1 1 A 118 118 GLY HA3 H 118 4.362 4.054 0.308 1 1 1284 . 10 1 1 A 118 118 GLY C C 118 174.901 175.434 -0.533 1 1 1285 . 10 1 1 A 118 118 GLY CA C 118 47.274 46.050 1.224 1 1 1286 . 10 1 1 A 118 118 GLY N N 118 112.143 107.752 4.391 1 1 1287 . 10 1 1 A 119 119 VAL H H 119 8.380 7.946 0.434 1 1 1288 . 10 1 1 A 119 119 VAL HA H 119 4.788 4.318 0.470 1 1 1296 . 10 1 1 A 119 119 VAL C C 119 174.901 176.245 -1.344 1 1 1297 . 10 1 1 A 119 119 VAL CA C 119 59.532 65.161 -5.629 1 1 1298 . 10 1 1 A 119 119 VAL CB C 119 32.509 31.581 0.928 1 1 1301 . 10 1 1 A 119 119 VAL N N 119 102.475 119.736 -17.261 1 1 1302 . 10 1 1 A 120 120 TYR H H 120 6.841 7.736 -0.895 1 1 1303 . 10 1 1 A 120 120 TYR HA H 120 4.484 4.496 -0.012 1 1 1308 . 10 1 1 A 120 120 TYR C C 120 173.443 175.107 -1.664 1 1 1309 . 10 1 1 A 120 120 TYR CA C 120 54.929 59.394 -4.465 1 1 1310 . 10 1 1 A 120 120 TYR CB C 120 37.704 38.835 -1.131 1 1 1311 . 10 1 1 A 120 120 TYR N N 120 124.518 124.746 -0.228 1 1 1312 . 10 1 1 A 121 121 ILE H H 121 9.244 9.223 0.021 1 1 1313 . 10 1 1 A 121 121 ILE HA H 121 4.419 4.033 0.386 1 1 1323 . 10 1 1 A 121 121 ILE C C 121 176.221 176.184 0.037 1 1 1324 . 10 1 1 A 121 121 ILE CA C 121 62.014 61.293 0.721 1 1 1325 . 10 1 1 A 121 121 ILE CB C 121 37.704 36.885 0.819 1 1 1329 . 10 1 1 A 121 121 ILE N N 121 128.772 128.123 0.649 1 1 1330 . 10 1 1 A 122 122 LYS H H 122 9.328 8.227 1.101 1 1 1331 . 10 1 1 A 122 122 LYS HA H 122 3.588 3.580 0.008 1 1 1340 . 10 1 1 A 122 122 LYS C C 122 179.069 177.820 1.249 1 1 1341 . 10 1 1 A 122 122 LYS CA C 122 60.124 59.743 0.381 1 1 1342 . 10 1 1 A 122 122 LYS CB C 122 33.329 32.263 1.066 1 1 1346 . 10 1 1 A 122 122 LYS N N 122 134.955 129.689 5.266 1 1 1347 . 10 1 1 A 123 123 GLU H H 123 10.228 7.413 2.815 1 1 1348 . 10 1 1 A 123 123 GLU HA H 123 3.919 4.169 -0.250 1 1 1353 . 10 1 1 A 123 123 GLU C C 123 176.638 177.656 -1.018 1 1 1354 . 10 1 1 A 123 123 GLU CA C 123 61.218 57.746 3.472 1 1 1355 . 10 1 1 A 123 123 GLU CB C 123 29.228 30.093 -0.865 1 1 1357 . 10 1 1 A 123 123 GLU N N 123 115.624 117.835 -2.211 1 1 1358 . 10 1 1 A 124 124 LEU H H 124 6.480 7.466 -0.986 1 1 1359 . 10 1 1 A 124 124 LEU HA H 124 4.464 4.510 -0.046 1 1 1369 . 10 1 1 A 124 124 LEU C C 124 175.403 176.723 -1.320 1 1 1370 . 10 1 1 A 124 124 LEU CA C 124 53.562 53.938 -0.376 1 1 1371 . 10 1 1 A 124 124 LEU CB C 124 44.813 44.088 0.725 1 1 1375 . 10 1 1 A 124 124 LEU N N 124 110.434 120.351 -9.917 1 1 1376 . 10 1 1 A 125 125 ARG H H 125 8.701 7.864 0.837 1 1 1377 . 10 1 1 A 125 125 ARG HA H 125 3.783 3.765 0.018 1 1 1380 . 10 1 1 A 125 125 ARG C C 125 173.029 175.385 -2.356 1 1 1381 . 10 1 1 A 125 125 ARG CA C 125 57.664 56.924 0.740 1 1 1382 . 10 1 1 A 125 125 ARG CB C 125 30.965 28.066 2.899 1 1 1383 . 10 1 1 A 125 125 ARG N N 125 121.940 118.675 3.265 1 1 1384 . 10 1 1 A 126 126 LEU H H 126 6.671 7.706 -1.035 1 1 1385 . 10 1 1 A 126 126 LEU HA H 126 4.621 5.044 -0.423 1 1 1395 . 10 1 1 A 126 126 LEU C C 126 174.203 175.002 -0.799 1 1 1396 . 10 1 1 A 126 126 LEU CA C 126 51.922 53.178 -1.256 1 1 1397 . 10 1 1 A 126 126 LEU CB C 126 46.727 44.729 1.998 1 1 1401 . 10 1 1 A 126 126 LEU N N 126 111.885 121.292 -9.407 1 1 1402 . 10 1 1 A 127 127 LEU H H 127 8.447 8.570 -0.123 1 1 1403 . 10 1 1 A 127 127 LEU HA H 127 5.153 5.343 -0.190 1 1 1413 . 10 1 1 A 127 127 LEU C C 127 175.145 176.569 -1.424 1 1 1414 . 10 1 1 A 127 127 LEU CA C 127 52.742 53.161 -0.419 1 1 1415 . 10 1 1 A 127 127 LEU CB C 127 43.172 44.214 -1.042 1 1 1419 . 10 1 1 A 127 127 LEU N N 127 118.983 119.541 -0.558 1 1 1420 . 10 1 1 A 128 128 ALA H H 128 9.160 9.037 0.123 1 1 1421 . 10 1 1 A 128 128 ALA HA H 128 3.843 4.528 -0.685 1 1 1425 . 10 1 1 A 128 128 ALA C C 128 176.603 177.178 -0.575 1 1 1426 . 10 1 1 A 128 128 ALA CA C 128 52.469 52.306 0.163 1 1 1427 . 10 1 1 A 128 128 ALA CB C 128 18.291 19.207 -0.916 1 1 1428 . 10 1 1 A 128 128 ALA N N 128 121.682 124.011 -2.329 1 1 1429 . 10 1 1 A 129 129 ARG H H 129 6.254 8.620 -2.366 1 1 1430 . 10 1 1 A 129 129 ARG HA H 129 4.700 4.966 -0.266 1 1 1436 . 10 1 1 A 129 129 ARG C C 129 176.534 175.208 1.326 1 1 1437 . 10 1 1 A 129 129 ARG CA C 129 55.651 55.846 -0.195 1 1 1438 . 10 1 1 A 129 129 ARG CB C 129 29.775 30.787 -1.012 1 1 1441 . 10 1 1 A 129 129 ARG N N 129 120.393 122.916 -2.523 1 1 1442 . 10 1 1 A 130 130 SER H H 130 8.398 9.021 -0.623 1 1 1443 . 10 1 1 A 130 130 SER HA H 130 4.767 4.942 -0.175 1 1 1446 . 10 1 1 A 130 130 SER C C 130 172.957 172.695 0.262 1 1 1447 . 10 1 1 A 130 130 SER CA C 130 57.658 57.528 0.130 1 1 1448 . 10 1 1 A 130 130 SER CB C 130 63.679 67.280 -3.601 1 1 1449 . 10 1 1 A 130 130 SER N N 130 120.264 122.537 -2.273 1 1 1450 . 10 1 1 A 131 131 VAL H H 131 7.838 8.217 -0.379 1 1 1451 . 10 1 1 A 131 131 VAL HA H 131 5.086 4.863 0.223 1 1 1459 . 10 1 1 A 131 131 VAL C C 131 172.853 172.869 -0.016 1 1 1460 . 10 1 1 A 131 131 VAL CA C 131 60.746 60.070 0.676 1 1 1461 . 10 1 1 A 131 131 VAL CB C 131 36.610 35.269 1.341 1 1 1464 . 10 1 1 A 131 131 VAL N N 131 118.460 120.438 -1.978 1 1 1465 . 10 1 1 A 132 132 PHE H H 132 9.259 9.324 -0.065 1 1 1466 . 10 1 1 A 132 132 PHE HA H 132 5.583 5.540 0.043 1 1 1470 . 10 1 1 A 132 132 PHE C C 132 174.797 174.924 -0.127 1 1 1471 . 10 1 1 A 132 132 PHE CA C 132 56.296 56.153 0.143 1 1 1472 . 10 1 1 A 132 132 PHE CB C 132 44.539 43.803 0.736 1 1 1473 . 10 1 1 A 132 132 PHE N N 132 121.682 125.172 -3.490 1 1 1474 . 10 1 1 A 133 133 VAL H H 133 8.907 8.863 0.044 1 1 1475 . 10 1 1 A 133 133 VAL HA H 133 5.331 5.089 0.242 1 1 1483 . 10 1 1 A 133 133 VAL C C 133 174.450 175.104 -0.654 1 1 1484 . 10 1 1 A 133 133 VAL CA C 133 61.491 60.776 0.715 1 1 1485 . 10 1 1 A 133 133 VAL CB C 133 34.696 35.840 -1.144 1 1 1488 . 10 1 1 A 133 133 VAL N N 133 119.878 120.634 -0.756 1 1 1489 . 10 1 1 A 134 134 LEU H H 134 9.976 9.198 0.778 1 1 1490 . 10 1 1 A 134 134 LEU HA H 134 5.680 5.227 0.453 1 1 1500 . 10 1 1 A 134 134 LEU C C 134 176.777 175.327 1.450 1 1 1501 . 10 1 1 A 134 134 LEU CA C 134 52.195 53.347 -1.152 1 1 1502 . 10 1 1 A 134 134 LEU CB C 134 44.813 45.892 -1.079 1 1 1506 . 10 1 1 A 134 134 LEU N N 134 129.417 126.589 2.828 1 1 1507 . 10 1 1 A 135 135 ASP H H 135 9.051 9.221 -0.170 1 1 1508 . 10 1 1 A 135 135 ASP HA H 135 4.708 4.730 -0.022 1 1 1511 . 10 1 1 A 135 135 ASP C C 135 177.193 177.326 -0.133 1 1 1512 . 10 1 1 A 135 135 ASP CA C 135 52.276 53.738 -1.462 1 1 1513 . 10 1 1 A 135 135 ASP CB C 135 40.711 42.115 -1.404 1 1 1514 . 10 1 1 A 135 135 ASP N N 135 119.362 125.153 -5.791 1 1 1515 . 10 1 1 A 136 136 GLU H H 136 9.970 8.917 1.053 1 1 1516 . 10 1 1 A 136 136 GLU HA H 136 3.953 4.031 -0.078 1 1 1521 . 10 1 1 A 136 136 GLU C C 136 177.055 178.181 -1.126 1 1 1522 . 10 1 1 A 136 136 GLU CA C 136 58.757 59.403 -0.646 1 1 1523 . 10 1 1 A 136 136 GLU CB C 136 28.681 29.357 -0.676 1 1 1525 . 10 1 1 A 136 136 GLU N N 136 116.011 123.953 -7.942 1 1 1526 . 10 1 1 A 137 137 ASN H H 137 8.514 8.509 0.005 1 1 1527 . 10 1 1 A 137 137 ASN HA H 137 5.026 4.813 0.213 1 1 1532 . 10 1 1 A 137 137 ASN C C 137 175.943 175.858 0.085 1 1 1533 . 10 1 1 A 137 137 ASN CA C 137 52.753 53.320 -0.567 1 1 1534 . 10 1 1 A 137 137 ASN CB C 137 40.164 38.934 1.230 1 1 1535 . 10 1 1 A 137 137 ASN N N 137 117.042 115.906 1.136 1 1 1537 . 10 1 1 A 138 138 GLY H H 138 8.430 8.535 -0.105 1 1 1538 . 10 1 1 A 138 138 GLY HA2 H 138 3.690 4.042 -0.352 1 1 1539 . 10 1 1 A 138 138 GLY HA3 H 138 4.213 4.058 0.155 1 1 1540 . 10 1 1 A 138 138 GLY C C 138 172.436 174.510 -2.074 1 1 1541 . 10 1 1 A 138 138 GLY CA C 138 46.180 45.015 1.165 1 1 1542 . 10 1 1 A 138 138 GLY N N 138 109.565 108.465 1.100 1 1 1543 . 10 1 1 A 139 139 LYS H H 139 8.573 7.964 0.609 1 1 1544 . 10 1 1 A 139 139 LYS HA H 139 4.472 4.238 0.234 1 1 1553 . 10 1 1 A 139 139 LYS C C 139 176.742 175.674 1.068 1 1 1554 . 10 1 1 A 139 139 LYS CA C 139 56.195 56.695 -0.500 1 1 1555 . 10 1 1 A 139 139 LYS CB C 139 32.782 32.980 -0.198 1 1 1559 . 10 1 1 A 139 139 LYS N N 139 123.358 122.265 1.093 1 1 1560 . 10 1 1 A 140 140 VAL H H 140 9.102 8.445 0.657 1 1 1561 . 10 1 1 A 140 140 VAL HA H 140 4.293 4.490 -0.197 1 1 1569 . 10 1 1 A 140 140 VAL C C 140 177.124 176.670 0.454 1 1 1570 . 10 1 1 A 140 140 VAL CA C 140 63.952 62.346 1.606 1 1 1571 . 10 1 1 A 140 140 VAL CB C 140 31.142 32.087 -0.945 1 1 1574 . 10 1 1 A 140 140 VAL N N 140 125.292 124.803 0.489 1 1 1575 . 10 1 1 A 141 141 VAL H H 141 9.332 9.266 0.066 1 1 1576 . 10 1 1 A 141 141 VAL HA H 141 4.670 4.385 0.285 1 1 1584 . 10 1 1 A 141 141 VAL C C 141 175.249 175.555 -0.306 1 1 1585 . 10 1 1 A 141 141 VAL CA C 141 61.491 62.513 -1.022 1 1 1586 . 10 1 1 A 141 141 VAL CB C 141 32.509 32.604 -0.095 1 1 1589 . 10 1 1 A 141 141 VAL N N 141 124.261 122.612 1.649 1 1 1590 . 10 1 1 A 142 142 TYR H H 142 7.959 7.534 0.425 1 1 1591 . 10 1 1 A 142 142 TYR HA H 142 4.389 4.806 -0.417 1 1 1596 . 10 1 1 A 142 142 TYR C C 142 172.262 173.388 -1.126 1 1 1597 . 10 1 1 A 142 142 TYR CA C 142 58.757 57.865 0.892 1 1 1598 . 10 1 1 A 142 142 TYR CB C 142 41.805 41.678 0.127 1 1 1599 . 10 1 1 A 142 142 TYR N N 142 122.198 122.769 -0.571 1 1 1600 . 10 1 1 A 143 143 ALA H H 143 7.642 7.901 -0.259 1 1 1601 . 10 1 1 A 143 143 ALA HA H 143 4.883 4.887 -0.004 1 1 1605 . 10 1 1 A 143 143 ALA C C 143 175.353 175.179 0.174 1 1 1606 . 10 1 1 A 143 143 ALA CA C 143 51.703 51.666 0.037 1 1 1607 . 10 1 1 A 143 143 ALA CB C 143 22.666 22.066 0.600 1 1 1608 . 10 1 1 A 143 143 ALA N N 143 129.804 129.453 0.351 1 1 1609 . 10 1 1 A 144 144 GLU H H 144 8.292 8.164 0.128 1 1 1610 . 10 1 1 A 144 144 GLU HA H 144 4.297 4.745 -0.448 1 1 1615 . 10 1 1 A 144 144 GLU C C 144 173.860 173.920 -0.060 1 1 1616 . 10 1 1 A 144 144 GLU CA C 144 56.296 55.301 0.995 1 1 1617 . 10 1 1 A 144 144 GLU CB C 144 32.509 33.794 -1.285 1 1 1619 . 10 1 1 A 144 144 GLU N N 144 122.198 121.543 0.655 1 1 1620 . 10 1 1 A 145 145 TYR H H 145 9.006 9.181 -0.175 1 1 1621 . 10 1 1 A 145 145 TYR HA H 145 4.125 5.130 -1.005 1 1 1626 . 10 1 1 A 145 145 TYR C C 145 175.164 175.284 -0.120 1 1 1627 . 10 1 1 A 145 145 TYR CA C 145 57.117 56.736 0.381 1 1 1628 . 10 1 1 A 145 145 TYR CB C 145 38.251 39.784 -1.533 1 1 1629 . 10 1 1 A 145 145 TYR N N 145 128.128 125.215 2.913 1 1 1630 . 10 1 1 A 146 146 VAL H H 146 7.441 8.963 -1.522 1 1 1631 . 10 1 1 A 146 146 VAL HA H 146 3.672 3.969 -0.297 1 1 1639 . 10 1 1 A 146 146 VAL C C 146 176.777 176.394 0.383 1 1 1640 . 10 1 1 A 146 146 VAL CA C 146 64.226 63.748 0.478 1 1 1641 . 10 1 1 A 146 146 VAL CB C 146 30.868 31.721 -0.853 1 1 1644 . 10 1 1 A 146 146 VAL N N 146 125.808 126.315 -0.507 1 1 1645 . 10 1 1 A 147 147 SER H H 147 8.359 8.665 -0.306 1 1 1646 . 10 1 1 A 147 147 SER HA H 147 4.007 4.358 -0.351 1 1 1649 . 10 1 1 A 147 147 SER C C 147 172.123 174.539 -2.416 1 1 1650 . 10 1 1 A 147 147 SER CA C 147 63.132 60.655 2.477 1 1 1651 . 10 1 1 A 147 147 SER CB C 147 62.859 63.210 -0.351 1 1 1652 . 10 1 1 A 147 147 SER N N 147 121.425 121.539 -0.114 1 1 1653 . 10 1 1 A 148 148 GLU H H 148 7.177 7.883 -0.706 1 1 1654 . 10 1 1 A 148 148 GLU HA H 148 5.055 4.874 0.181 1 1 1659 . 10 1 1 A 148 148 GLU C C 148 176.082 176.523 -0.441 1 1 1660 . 10 1 1 A 148 148 GLU CA C 148 52.563 55.206 -2.643 1 1 1661 . 10 1 1 A 148 148 GLU CB C 148 29.774 32.191 -2.417 1 1 1663 . 10 1 1 A 148 148 GLU N N 148 119.620 120.433 -0.813 1 1 1664 . 10 1 1 A 149 149 ALA H H 149 9.142 9.173 -0.031 1 1 1665 . 10 1 1 A 149 149 ALA HA H 149 4.704 3.832 0.872 1 1 1669 . 10 1 1 A 149 149 ALA C C 149 177.437 178.547 -1.110 1 1 1670 . 10 1 1 A 149 149 ALA CA C 149 54.466 54.890 -0.424 1 1 1671 . 10 1 1 A 149 149 ALA CB C 149 19.111 17.773 1.338 1 1 1672 . 10 1 1 A 149 149 ALA N N 149 127.741 129.414 -1.673 1 1 1673 . 10 1 1 A 150 150 THR H H 150 8.200 7.434 0.766 1 1 1674 . 10 1 1 A 150 150 THR HA H 150 4.393 4.193 0.200 1 1 1679 . 10 1 1 A 150 150 THR C C 150 174.554 174.217 0.337 1 1 1680 . 10 1 1 A 150 150 THR CA C 150 62.312 62.248 0.064 1 1 1681 . 10 1 1 A 150 150 THR CB C 150 69.694 69.492 0.202 1 1 1683 . 10 1 1 A 150 150 THR N N 150 104.453 106.970 -2.517 1 1 1684 . 10 1 1 A 151 151 ASN H H 151 7.984 7.638 0.346 1 1 1685 . 10 1 1 A 151 151 ASN HA H 151 4.947 4.966 -0.019 1 1 1690 . 10 1 1 A 151 151 ASN C C 151 174.554 174.327 0.227 1 1 1691 . 10 1 1 A 151 151 ASN CA C 151 51.135 51.370 -0.235 1 1 1692 . 10 1 1 A 151 151 ASN CB C 151 39.344 40.685 -1.341 1 1 1693 . 10 1 1 A 151 151 ASN N N 151 123.487 121.557 1.930 1 1 1695 . 10 1 1 A 152 152 HIS H H 152 8.160 8.747 -0.587 1 1 1696 . 10 1 1 A 152 152 HIS HA H 152 4.731 5.346 -0.615 1 1 1700 . 10 1 1 A 152 152 HIS C C 152 174.381 173.234 1.147 1 1 1701 . 10 1 1 A 152 152 HIS CA C 152 54.854 53.123 1.731 1 1 1702 . 10 1 1 A 152 152 HIS CB C 152 31.415 32.697 -1.282 1 1 1703 . 10 1 1 A 152 152 HIS N N 152 116.139 116.480 -0.341 1 1 1704 . 10 1 1 A 153 153 PRO HA H 153 4.335 4.523 -0.188 1 1 1709 . 10 1 1 A 153 153 PRO C C 153 173.894 176.279 -2.385 1 1 1710 . 10 1 1 A 153 153 PRO CA C 153 61.491 62.272 -0.781 1 1 1711 . 10 1 1 A 153 153 PRO CB C 153 32.782 32.911 -0.129 1 1 1714 . 10 1 1 A 154 154 ASN H H 154 9.511 8.614 0.897 1 1 1715 . 10 1 1 A 154 154 ASN HA H 154 4.306 4.862 -0.556 1 1 1720 . 10 1 1 A 154 154 ASN C C 154 176.568 176.146 0.422 1 1 1721 . 10 1 1 A 154 154 ASN CA C 154 54.656 52.873 1.783 1 1 1722 . 10 1 1 A 154 154 ASN CB C 154 39.071 38.797 0.274 1 1 1723 . 10 1 1 A 154 154 ASN N N 154 118.718 119.573 -0.855 1 1 1725 . 10 1 1 A 155 155 TYR H H 155 8.691 8.367 0.324 1 1 1726 . 10 1 1 A 155 155 TYR HA H 155 4.364 4.291 0.073 1 1 1731 . 10 1 1 A 155 155 TYR C C 155 176.256 176.866 -0.610 1 1 1732 . 10 1 1 A 155 155 TYR CA C 155 59.304 58.114 1.190 1 1 1733 . 10 1 1 A 155 155 TYR CB C 155 39.344 38.414 0.930 1 1 1734 . 10 1 1 A 155 155 TYR N N 155 125.421 125.607 -0.186 1 1 1735 . 10 1 1 A 156 156 GLU H H 156 8.200 8.067 0.133 1 1 1736 . 10 1 1 A 156 156 GLU HA H 156 4.415 4.086 0.329 1 1 1741 . 10 1 1 A 156 156 GLU C C 156 178.583 179.185 -0.602 1 1 1742 . 10 1 1 A 156 156 GLU CA C 156 58.757 58.924 -0.167 1 1 1743 . 10 1 1 A 156 156 GLU CB C 156 30.868 29.109 1.759 1 1 1745 . 10 1 1 A 156 156 GLU N N 156 119.878 122.218 -2.340 1 1 1746 . 10 1 1 A 157 157 LYS H H 157 8.718 7.736 0.982 1 1 1747 . 10 1 1 A 157 157 LYS HA H 157 4.095 3.960 0.135 1 1 1756 . 10 1 1 A 157 157 LYS C C 157 176.152 175.123 1.029 1 1 1757 . 10 1 1 A 157 157 LYS CA C 157 60.398 61.251 -0.853 1 1 1758 . 10 1 1 A 157 157 LYS CB C 157 30.595 30.991 -0.396 1 1 1762 . 10 1 1 A 157 157 LYS N N 157 121.167 119.564 1.603 1 1 1763 . 10 1 1 A 158 158 PRO HA H 158 3.116 4.043 -0.927 1 1 1770 . 10 1 1 A 158 158 PRO C C 158 177.853 179.457 -1.604 1 1 1771 . 10 1 1 A 158 158 PRO CA C 158 65.319 64.923 0.396 1 1 1772 . 10 1 1 A 158 158 PRO CB C 158 30.595 30.464 0.131 1 1 1775 . 10 1 1 A 159 159 ILE H H 159 6.215 7.197 -0.982 1 1 1776 . 10 1 1 A 159 159 ILE HA H 159 3.594 3.889 -0.295 1 1 1786 . 10 1 1 A 159 159 ILE C C 159 177.610 177.739 -0.129 1 1 1787 . 10 1 1 A 159 159 ILE CA C 159 62.312 64.409 -2.097 1 1 1788 . 10 1 1 A 159 159 ILE CB C 159 35.516 37.916 -2.400 1 1 1792 . 10 1 1 A 159 159 ILE N N 159 113.948 116.569 -2.621 1 1 1793 . 10 1 1 A 160 160 GLU H H 160 7.572 8.539 -0.967 1 1 1794 . 10 1 1 A 160 160 GLU HA H 160 3.876 4.017 -0.141 1 1 1799 . 10 1 1 A 160 160 GLU C C 160 179.277 179.604 -0.327 1 1 1800 . 10 1 1 A 160 160 GLU CA C 160 59.304 59.699 -0.395 1 1 1801 . 10 1 1 A 160 160 GLU CB C 160 29.774 29.113 0.661 1 1 1803 . 10 1 1 A 160 160 GLU N N 160 119.104 120.431 -1.327 1 1 1804 . 10 1 1 A 161 161 ALA H H 161 7.902 8.134 -0.232 1 1 1805 . 10 1 1 A 161 161 ALA HA H 161 4.137 4.202 -0.065 1 1 1809 . 10 1 1 A 161 161 ALA C C 161 179.485 180.132 -0.647 1 1 1810 . 10 1 1 A 161 161 ALA CA C 161 54.656 55.126 -0.470 1 1 1811 . 10 1 1 A 161 161 ALA CB C 161 18.017 18.049 -0.032 1 1 1812 . 10 1 1 A 161 161 ALA N N 161 120.393 123.504 -3.111 1 1 1813 . 10 1 1 A 162 162 ALA H H 162 7.734 7.963 -0.229 1 1 1814 . 10 1 1 A 162 162 ALA HA H 162 3.950 4.118 -0.168 1 1 1818 . 10 1 1 A 162 162 ALA C C 162 179.485 179.599 -0.114 1 1 1819 . 10 1 1 A 162 162 ALA CA C 162 54.656 55.164 -0.508 1 1 1820 . 10 1 1 A 162 162 ALA CB C 162 19.111 18.065 1.046 1 1 1821 . 10 1 1 A 162 162 ALA N N 162 118.202 120.968 -2.766 1 1 1822 . 10 1 1 A 163 163 LYS H H 163 8.760 8.504 0.256 1 1 1823 . 10 1 1 A 163 163 LYS HA H 163 3.842 3.996 -0.154 1 1 1832 . 10 1 1 A 163 163 LYS C C 163 178.201 179.564 -1.363 1 1 1833 . 10 1 1 A 163 163 LYS CA C 163 59.578 59.302 0.276 1 1 1834 . 10 1 1 A 163 163 LYS CB C 163 32.782 32.121 0.661 1 1 1838 . 10 1 1 A 163 163 LYS N N 163 118.202 116.911 1.291 1 1 1839 . 10 1 1 A 164 164 ALA H H 164 7.216 8.342 -1.126 1 1 1840 . 10 1 1 A 164 164 ALA HA H 164 4.215 4.117 0.098 1 1 1844 . 10 1 1 A 164 164 ALA C C 164 178.339 180.303 -1.964 1 1 1845 . 10 1 1 A 164 164 ALA CA C 164 53.836 54.953 -1.117 1 1 1846 . 10 1 1 A 164 164 ALA CB C 164 18.291 18.278 0.013 1 1 1847 . 10 1 1 A 164 164 ALA N N 164 117.557 122.002 -4.445 1 1 1848 . 10 1 1 A 165 165 LEU H H 165 7.503 7.896 -0.393 1 1 1849 . 10 1 1 A 165 165 LEU HA H 165 4.432 4.115 0.317 1 1 1859 . 10 1 1 A 165 165 LEU C C 165 177.714 179.161 -1.447 1 1 1860 . 10 1 1 A 165 165 LEU CA C 165 54.929 57.559 -2.630 1 1 1861 . 10 1 1 A 165 165 LEU CB C 165 44.256 41.632 2.624 1 1 1865 . 10 1 1 A 165 165 LEU N N 165 115.753 120.434 -4.681 1 1 1866 . 10 1 1 A 166 166 VAL H H 166 7.337 8.028 -0.691 1 1 1867 . 10 1 1 A 166 166 VAL HA H 166 4.103 3.494 0.609 1 1 1875 . 10 1 1 A 166 166 VAL C C 166 175.040 176.383 -1.343 1 1 1876 . 10 1 1 A 166 166 VAL CA C 166 62.859 66.730 -3.871 1 1 1877 . 10 1 1 A 166 166 VAL CB C 166 32.509 31.560 0.949 1 1 1880 . 10 1 1 A 166 166 VAL N N 166 118.589 118.164 0.425 1 1 1 . 11 1 1 A 2 2 ALA HA H 2 3.876 4.071 -0.195 1 1 5 . 11 1 1 A 2 2 ALA C C 2 172.590 176.803 -4.213 1 1 6 . 11 1 1 A 2 2 ALA CA C 2 51.922 52.834 -0.912 1 1 7 . 11 1 1 A 2 2 ALA CB C 2 18.924 18.831 0.093 1 1 8 . 11 1 1 A 3 3 GLU H H 3 8.262 7.506 0.756 1 1 9 . 11 1 1 A 3 3 GLU HA H 3 4.641 4.875 -0.234 1 1 14 . 11 1 1 A 3 3 GLU C C 3 175.157 174.544 0.613 1 1 15 . 11 1 1 A 3 3 GLU CA C 3 55.476 55.526 -0.050 1 1 16 . 11 1 1 A 3 3 GLU CB C 3 31.142 33.176 -2.034 1 1 18 . 11 1 1 A 3 3 GLU N N 3 121.167 118.402 2.765 1 1 19 . 11 1 1 A 4 4 ILE H H 4 9.053 8.352 0.701 1 1 20 . 11 1 1 A 4 4 ILE HA H 4 5.361 5.111 0.250 1 1 30 . 11 1 1 A 4 4 ILE C C 4 175.817 174.711 1.106 1 1 31 . 11 1 1 A 4 4 ILE CA C 4 59.304 58.905 0.399 1 1 32 . 11 1 1 A 4 4 ILE CB C 4 42.079 42.580 -0.501 1 1 36 . 11 1 1 A 4 4 ILE N N 4 124.776 120.437 4.339 1 1 37 . 11 1 1 A 5 5 THR H H 5 8.977 8.419 0.558 1 1 38 . 11 1 1 A 5 5 THR HA H 5 5.141 5.532 -0.391 1 1 43 . 11 1 1 A 5 5 THR C C 5 173.483 173.306 0.177 1 1 44 . 11 1 1 A 5 5 THR CA C 5 59.304 61.185 -1.881 1 1 45 . 11 1 1 A 5 5 THR CB C 5 73.249 71.936 1.313 1 1 47 . 11 1 1 A 5 5 THR N N 5 112.659 115.755 -3.096 1 1 48 . 11 1 1 A 6 6 PHE H H 6 9.173 9.320 -0.147 1 1 49 . 11 1 1 A 6 6 PHE HA H 6 4.866 4.930 -0.064 1 1 53 . 11 1 1 A 6 6 PHE C C 6 175.591 174.741 0.850 1 1 54 . 11 1 1 A 6 6 PHE CA C 6 58.054 57.624 0.430 1 1 55 . 11 1 1 A 6 6 PHE CB C 6 42.625 42.818 -0.193 1 1 56 . 11 1 1 A 6 6 PHE N N 6 119.362 125.638 -6.276 1 1 57 . 11 1 1 A 7 7 LYS H H 7 11.130 8.863 2.267 1 1 58 . 11 1 1 A 7 7 LYS HA H 7 3.567 3.729 -0.162 1 1 67 . 11 1 1 A 7 7 LYS C C 7 177.661 175.739 1.922 1 1 68 . 11 1 1 A 7 7 LYS CA C 7 57.390 57.016 0.374 1 1 69 . 11 1 1 A 7 7 LYS CB C 7 29.222 31.195 -1.973 1 1 73 . 11 1 1 A 7 7 LYS N N 7 134.058 126.571 7.487 1 1 74 . 11 1 1 A 8 8 GLY H H 8 8.965 8.615 0.350 1 1 75 . 11 1 1 A 8 8 GLY HA2 H 8 4.244 3.887 0.357 1 1 76 . 11 1 1 A 8 8 GLY HA3 H 8 3.528 3.890 -0.362 1 1 77 . 11 1 1 A 8 8 GLY C C 8 173.822 174.238 -0.416 1 1 78 . 11 1 1 A 8 8 GLY CA C 8 45.360 46.216 -0.856 1 1 79 . 11 1 1 A 8 8 GLY N N 8 104.280 105.240 -0.960 1 1 80 . 11 1 1 A 9 9 GLY H H 9 7.942 7.860 0.082 1 1 81 . 11 1 1 A 9 9 GLY HA2 H 9 4.815 4.290 0.525 1 1 82 . 11 1 1 A 9 9 GLY HA3 H 9 3.715 4.309 -0.594 1 1 83 . 11 1 1 A 9 9 GLY C C 9 171.262 172.028 -0.766 1 1 84 . 11 1 1 A 9 9 GLY CA C 9 43.172 44.770 -1.598 1 1 85 . 11 1 1 A 9 9 GLY N N 9 109.823 107.763 2.060 1 1 86 . 11 1 1 A 10 10 PRO HA H 10 4.640 4.932 -0.292 1 1 93 . 11 1 1 A 10 10 PRO C C 10 177.097 176.254 0.843 1 1 94 . 11 1 1 A 10 10 PRO CA C 10 63.952 62.794 1.158 1 1 95 . 11 1 1 A 10 10 PRO CB C 10 32.509 32.584 -0.075 1 1 98 . 11 1 1 A 11 11 VAL H H 11 7.770 8.649 -0.879 1 1 99 . 11 1 1 A 11 11 VAL HA H 11 4.632 4.966 -0.334 1 1 107 . 11 1 1 A 11 11 VAL C C 11 174.462 174.459 0.003 1 1 108 . 11 1 1 A 11 11 VAL CA C 11 59.304 59.447 -0.143 1 1 109 . 11 1 1 A 11 11 VAL CB C 11 35.516 35.378 0.138 1 1 112 . 11 1 1 A 11 11 VAL N N 11 115.495 116.148 -0.653 1 1 113 . 11 1 1 A 12 12 THR H H 12 10.773 9.107 1.666 1 1 114 . 11 1 1 A 12 12 THR HA H 12 4.425 4.570 -0.145 1 1 119 . 11 1 1 A 12 12 THR C C 12 173.505 174.187 -0.682 1 1 120 . 11 1 1 A 12 12 THR CA C 12 62.312 62.253 0.059 1 1 121 . 11 1 1 A 12 12 THR CB C 12 69.694 69.893 -0.199 1 1 123 . 11 1 1 A 12 12 THR N N 12 121.940 120.768 1.172 1 1 124 . 11 1 1 A 13 13 LEU H H 13 8.524 8.517 0.007 1 1 125 . 11 1 1 A 13 13 LEU HA H 13 5.132 4.964 0.168 1 1 135 . 11 1 1 A 13 13 LEU C C 13 177.285 176.378 0.907 1 1 136 . 11 1 1 A 13 13 LEU CA C 13 53.289 53.274 0.015 1 1 137 . 11 1 1 A 13 13 LEU CB C 13 42.352 44.723 -2.371 1 1 141 . 11 1 1 A 13 13 LEU N N 13 125.550 123.998 1.552 1 1 142 . 11 1 1 A 14 14 VAL H H 14 8.962 8.682 0.280 1 1 143 . 11 1 1 A 14 14 VAL HA H 14 3.859 3.751 0.108 1 1 151 . 11 1 1 A 14 14 VAL C C 14 174.604 177.507 -2.903 1 1 152 . 11 1 1 A 14 14 VAL CA C 14 62.312 65.501 -3.189 1 1 153 . 11 1 1 A 14 14 VAL CB C 14 32.509 31.554 0.955 1 1 156 . 11 1 1 A 14 14 VAL N N 14 126.968 122.498 4.470 1 1 157 . 11 1 1 A 15 15 GLY H H 15 7.838 7.980 -0.142 1 1 158 . 11 1 1 A 15 15 GLY HA2 H 15 5.132 3.819 1.313 1 1 159 . 11 1 1 A 15 15 GLY HA3 H 15 3.730 3.823 -0.093 1 1 160 . 11 1 1 A 15 15 GLY C C 15 174.542 174.176 0.366 1 1 161 . 11 1 1 A 15 15 GLY CA C 15 43.446 46.016 -2.570 1 1 162 . 11 1 1 A 15 15 GLY N N 15 110.596 108.109 2.487 1 1 163 . 11 1 1 A 16 16 GLN H H 16 8.247 7.724 0.523 1 1 164 . 11 1 1 A 16 16 GLN HA H 16 4.347 4.154 0.193 1 1 171 . 11 1 1 A 16 16 GLN C C 16 174.876 175.893 -1.017 1 1 172 . 11 1 1 A 16 16 GLN CA C 16 54.656 55.616 -0.960 1 1 173 . 11 1 1 A 16 16 GLN CB C 16 30.321 29.423 0.898 1 1 175 . 11 1 1 A 16 16 GLN N N 16 120.522 118.751 1.771 1 1 177 . 11 1 1 A 17 17 GLU H H 17 8.149 8.795 -0.646 1 1 178 . 11 1 1 A 17 17 GLU HA H 17 3.938 4.052 -0.114 1 1 183 . 11 1 1 A 17 17 GLU C C 17 176.607 175.734 0.873 1 1 184 . 11 1 1 A 17 17 GLU CA C 17 57.117 57.770 -0.653 1 1 185 . 11 1 1 A 17 17 GLU CB C 17 30.321 29.136 1.185 1 1 187 . 11 1 1 A 17 17 GLU N N 17 123.616 119.657 3.959 1 1 188 . 11 1 1 A 18 18 VAL H H 18 8.605 8.323 0.282 1 1 189 . 11 1 1 A 18 18 VAL HA H 18 4.047 3.982 0.065 1 1 197 . 11 1 1 A 18 18 VAL C C 18 174.386 175.735 -1.349 1 1 198 . 11 1 1 A 18 18 VAL CA C 18 61.765 63.434 -1.669 1 1 199 . 11 1 1 A 18 18 VAL CB C 18 32.782 31.717 1.065 1 1 202 . 11 1 1 A 18 18 VAL N N 18 125.936 120.338 5.598 1 1 203 . 11 1 1 A 19 19 LYS H H 19 8.461 8.730 -0.269 1 1 204 . 11 1 1 A 19 19 LYS HA H 19 4.624 4.922 -0.298 1 1 213 . 11 1 1 A 19 19 LYS C C 19 176.457 174.749 1.708 1 1 214 . 11 1 1 A 19 19 LYS CA C 19 53.562 54.490 -0.928 1 1 215 . 11 1 1 A 19 19 LYS CB C 19 34.423 35.824 -1.401 1 1 219 . 11 1 1 A 19 19 LYS N N 19 123.874 123.391 0.483 1 1 220 . 11 1 1 A 20 20 VAL H H 20 8.349 8.449 -0.100 1 1 221 . 11 1 1 A 20 20 VAL HA H 20 3.421 4.039 -0.618 1 1 229 . 11 1 1 A 20 20 VAL C C 20 177.624 176.968 0.656 1 1 230 . 11 1 1 A 20 20 VAL CA C 20 65.593 63.473 2.120 1 1 231 . 11 1 1 A 20 20 VAL CB C 20 31.415 31.503 -0.088 1 1 234 . 11 1 1 A 20 20 VAL N N 20 120.393 122.258 -1.865 1 1 235 . 11 1 1 A 21 21 GLY H H 21 9.338 9.333 0.005 1 1 236 . 11 1 1 A 21 21 GLY HA2 H 21 4.566 4.039 0.527 1 1 237 . 11 1 1 A 21 21 GLY HA3 H 21 3.536 4.047 -0.511 1 1 238 . 11 1 1 A 21 21 GLY C C 21 174.160 174.661 -0.501 1 1 239 . 11 1 1 A 21 21 GLY CA C 21 44.539 45.456 -0.917 1 1 240 . 11 1 1 A 21 21 GLY N N 21 117.429 117.559 -0.130 1 1 241 . 11 1 1 A 22 22 ASP H H 22 8.222 8.025 0.197 1 1 242 . 11 1 1 A 22 22 ASP HA H 22 4.650 4.553 0.097 1 1 245 . 11 1 1 A 22 22 ASP C C 22 176.231 175.782 0.449 1 1 246 . 11 1 1 A 22 22 ASP CA C 22 54.382 55.127 -0.745 1 1 247 . 11 1 1 A 22 22 ASP CB C 22 40.985 41.417 -0.432 1 1 248 . 11 1 1 A 22 22 ASP N N 22 121.811 121.646 0.165 1 1 249 . 11 1 1 A 23 23 GLN H H 23 8.598 7.968 0.630 1 1 250 . 11 1 1 A 23 23 GLN HA H 23 4.224 4.382 -0.158 1 1 257 . 11 1 1 A 23 23 GLN C C 23 175.892 175.042 0.850 1 1 258 . 11 1 1 A 23 23 GLN CA C 23 55.203 58.129 -2.926 1 1 259 . 11 1 1 A 23 23 GLN CB C 23 28.954 27.941 1.013 1 1 261 . 11 1 1 A 23 23 GLN N N 23 119.491 117.086 2.405 1 1 263 . 11 1 1 A 24 24 ALA H H 24 8.664 8.458 0.206 1 1 264 . 11 1 1 A 24 24 ALA HA H 24 4.030 4.252 -0.222 1 1 268 . 11 1 1 A 24 24 ALA C C 24 174.386 177.674 -3.288 1 1 269 . 11 1 1 A 24 24 ALA CA C 24 51.101 50.490 0.611 1 1 270 . 11 1 1 A 24 24 ALA CB C 24 19.111 19.185 -0.074 1 1 271 . 11 1 1 A 24 24 ALA N N 24 129.804 124.313 5.491 1 1 272 . 11 1 1 A 25 25 PRO HA H 25 4.422 4.327 0.095 1 1 279 . 11 1 1 A 25 25 PRO C C 25 173.596 177.227 -3.631 1 1 280 . 11 1 1 A 25 25 PRO CA C 25 61.765 65.041 -3.276 1 1 281 . 11 1 1 A 25 25 PRO CB C 25 32.509 31.991 0.518 1 1 284 . 11 1 1 A 26 26 ASP H H 26 7.546 8.275 -0.729 1 1 285 . 11 1 1 A 26 26 ASP HA H 26 4.411 4.457 -0.046 1 1 288 . 11 1 1 A 26 26 ASP C C 26 175.591 175.137 0.454 1 1 289 . 11 1 1 A 26 26 ASP CA C 26 54.656 54.994 -0.338 1 1 290 . 11 1 1 A 26 26 ASP CB C 26 42.625 39.303 3.322 1 1 291 . 11 1 1 A 26 26 ASP N N 26 114.979 118.940 -3.961 1 1 292 . 11 1 1 A 27 27 PHE H H 27 7.379 8.833 -1.454 1 1 293 . 11 1 1 A 27 27 PHE HA H 27 4.659 5.081 -0.422 1 1 295 . 11 1 1 A 27 27 PHE C C 27 173.407 175.028 -1.621 1 1 296 . 11 1 1 A 27 27 PHE CA C 27 56.570 57.039 -0.469 1 1 297 . 11 1 1 A 27 27 PHE CB C 27 39.891 43.874 -3.983 1 1 298 . 11 1 1 A 27 27 PHE N N 27 113.561 123.633 -10.072 1 1 299 . 11 1 1 A 28 28 THR H H 28 8.540 8.795 -0.255 1 1 300 . 11 1 1 A 28 28 THR HA H 28 4.936 4.499 0.437 1 1 305 . 11 1 1 A 28 28 THR C C 28 173.443 174.021 -0.578 1 1 306 . 11 1 1 A 28 28 THR CA C 28 62.889 62.392 0.497 1 1 307 . 11 1 1 A 28 28 THR CB C 28 72.155 69.666 2.489 1 1 309 . 11 1 1 A 28 28 THR N N 28 114.593 117.067 -2.474 1 1 310 . 11 1 1 A 29 29 VAL H H 29 9.120 8.660 0.460 1 1 311 . 11 1 1 A 29 29 VAL HA H 29 4.863 5.146 -0.283 1 1 319 . 11 1 1 A 29 29 VAL C C 29 173.558 173.445 0.113 1 1 320 . 11 1 1 A 29 29 VAL CA C 29 59.527 59.119 0.408 1 1 321 . 11 1 1 A 29 29 VAL CB C 29 35.243 36.587 -1.344 1 1 324 . 11 1 1 A 29 29 VAL N N 29 119.233 117.869 1.364 1 1 325 . 11 1 1 A 30 30 LEU H H 30 8.565 8.520 0.045 1 1 326 . 11 1 1 A 30 30 LEU HA H 30 5.615 5.135 0.480 1 1 336 . 11 1 1 A 30 30 LEU C C 30 180.310 175.296 5.014 1 1 337 . 11 1 1 A 30 30 LEU CA C 30 53.562 54.146 -0.584 1 1 338 . 11 1 1 A 30 30 LEU CB C 30 47.547 45.771 1.776 1 1 342 . 11 1 1 A 30 30 LEU N N 30 117.429 123.157 -5.728 1 1 343 . 11 1 1 A 31 31 THR H H 31 9.587 8.372 1.215 1 1 344 . 11 1 1 A 31 31 THR HA H 31 4.741 4.668 0.073 1 1 349 . 11 1 1 A 31 31 THR C C 31 176.457 175.643 0.814 1 1 350 . 11 1 1 A 31 31 THR CA C 31 60.632 60.502 0.130 1 1 351 . 11 1 1 A 31 31 THR CB C 31 71.451 71.466 -0.015 1 1 353 . 11 1 1 A 31 31 THR N N 31 114.721 114.533 0.188 1 1 354 . 11 1 1 A 32 32 ASN H H 32 9.812 9.064 0.748 1 1 355 . 11 1 1 A 32 32 ASN HA H 32 4.352 4.511 -0.159 1 1 358 . 11 1 1 A 32 32 ASN C C 32 175.252 176.977 -1.725 1 1 359 . 11 1 1 A 32 32 ASN CA C 32 55.476 55.983 -0.507 1 1 360 . 11 1 1 A 32 32 ASN CB C 32 38.524 38.211 0.313 1 1 361 . 11 1 1 A 32 32 ASN N N 32 118.460 120.811 -2.351 1 1 362 . 11 1 1 A 33 33 SER H H 33 7.782 7.843 -0.061 1 1 363 . 11 1 1 A 33 33 SER HA H 33 4.562 4.552 0.010 1 1 366 . 11 1 1 A 33 33 SER C C 33 173.822 173.243 0.579 1 1 367 . 11 1 1 A 33 33 SER CA C 33 57.390 58.430 -1.040 1 1 368 . 11 1 1 A 33 33 SER CB C 33 62.859 63.348 -0.489 1 1 369 . 11 1 1 A 33 33 SER N N 33 110.725 111.985 -1.260 1 1 370 . 11 1 1 A 34 34 LEU H H 34 8.342 8.132 0.210 1 1 371 . 11 1 1 A 34 34 LEU HA H 34 3.686 3.868 -0.182 1 1 381 . 11 1 1 A 34 34 LEU C C 34 175.516 175.600 -0.084 1 1 382 . 11 1 1 A 34 34 LEU CA C 34 57.117 56.125 0.992 1 1 383 . 11 1 1 A 34 34 LEU CB C 34 37.430 39.657 -2.227 1 1 387 . 11 1 1 A 34 34 LEU N N 34 116.913 119.589 -2.676 1 1 388 . 11 1 1 A 35 35 GLU H H 35 7.538 8.139 -0.601 1 1 389 . 11 1 1 A 35 35 GLU HA H 35 4.546 4.468 0.078 1 1 394 . 11 1 1 A 35 35 GLU C C 35 176.005 176.769 -0.764 1 1 395 . 11 1 1 A 35 35 GLU CA C 35 54.929 55.374 -0.445 1 1 396 . 11 1 1 A 35 35 GLU CB C 35 30.868 30.666 0.202 1 1 398 . 11 1 1 A 35 35 GLU N N 35 117.429 118.052 -0.623 1 1 399 . 11 1 1 A 36 36 GLU H H 36 8.681 8.673 0.008 1 1 400 . 11 1 1 A 36 36 GLU HA H 36 4.740 4.416 0.324 1 1 405 . 11 1 1 A 36 36 GLU C C 36 176.833 175.890 0.943 1 1 406 . 11 1 1 A 36 36 GLU CA C 36 56.923 56.045 0.878 1 1 407 . 11 1 1 A 36 36 GLU CB C 36 30.868 28.360 2.508 1 1 409 . 11 1 1 A 36 36 GLU N N 36 121.296 123.530 -2.234 1 1 410 . 11 1 1 A 37 37 LYS H H 37 9.122 7.931 1.191 1 1 411 . 11 1 1 A 37 37 LYS HA H 37 4.639 4.185 0.454 1 1 420 . 11 1 1 A 37 37 LYS C C 37 173.671 175.409 -1.738 1 1 421 . 11 1 1 A 37 37 LYS CA C 37 55.476 56.708 -1.232 1 1 422 . 11 1 1 A 37 37 LYS CB C 37 35.243 32.994 2.249 1 1 426 . 11 1 1 A 37 37 LYS N N 37 125.292 123.503 1.789 1 1 427 . 11 1 1 A 38 38 SER H H 38 9.337 8.551 0.786 1 1 428 . 11 1 1 A 38 38 SER HA H 38 5.310 4.934 0.376 1 1 431 . 11 1 1 A 38 38 SER C C 38 175.102 174.638 0.464 1 1 432 . 11 1 1 A 38 38 SER CA C 38 56.296 57.441 -1.145 1 1 433 . 11 1 1 A 38 38 SER CB C 38 67.233 67.316 -0.083 1 1 434 . 11 1 1 A 38 38 SER N N 38 121.811 121.956 -0.145 1 1 435 . 11 1 1 A 39 39 LEU H H 39 7.023 8.761 -1.738 1 1 436 . 11 1 1 A 39 39 LEU HA H 39 3.872 4.056 -0.184 1 1 446 . 11 1 1 A 39 39 LEU C C 39 179.845 178.512 1.333 1 1 447 . 11 1 1 A 39 39 LEU CA C 39 58.210 58.331 -0.121 1 1 448 . 11 1 1 A 39 39 LEU CB C 39 40.711 41.750 -1.039 1 1 452 . 11 1 1 A 39 39 LEU N N 39 121.811 127.419 -5.608 1 1 453 . 11 1 1 A 40 40 ALA H H 40 8.447 8.264 0.183 1 1 454 . 11 1 1 A 40 40 ALA HA H 40 3.890 4.098 -0.208 1 1 458 . 11 1 1 A 40 40 ALA C C 40 179.995 179.885 0.110 1 1 459 . 11 1 1 A 40 40 ALA CA C 40 55.203 54.542 0.661 1 1 460 . 11 1 1 A 40 40 ALA CB C 40 18.291 18.322 -0.031 1 1 461 . 11 1 1 A 40 40 ALA N N 40 119.362 120.585 -1.223 1 1 462 . 11 1 1 A 41 41 ASP H H 41 7.517 8.281 -0.764 1 1 463 . 11 1 1 A 41 41 ASP HA H 41 4.469 4.378 0.091 1 1 466 . 11 1 1 A 41 41 ASP C C 41 176.720 178.548 -1.828 1 1 467 . 11 1 1 A 41 41 ASP CA C 41 56.296 56.875 -0.579 1 1 468 . 11 1 1 A 41 41 ASP CB C 41 42.079 40.589 1.490 1 1 469 . 11 1 1 A 41 41 ASP N N 41 114.850 118.764 -3.914 1 1 470 . 11 1 1 A 42 42 MET H H 42 7.989 8.098 -0.109 1 1 471 . 11 1 1 A 42 42 MET HA H 42 4.336 4.483 -0.147 1 1 479 . 11 1 1 A 42 42 MET C C 42 175.440 177.331 -1.891 1 1 480 . 11 1 1 A 42 42 MET CA C 42 56.843 58.144 -1.301 1 1 481 . 11 1 1 A 42 42 MET CB C 42 31.962 32.626 -0.664 1 1 484 . 11 1 1 A 42 42 MET N N 42 118.847 115.867 2.980 1 1 485 . 11 1 1 A 43 43 LYS H H 43 6.901 7.431 -0.530 1 1 486 . 11 1 1 A 43 43 LYS HA H 43 4.265 4.189 0.076 1 1 494 . 11 1 1 A 43 43 LYS C C 43 177.435 177.444 -0.009 1 1 495 . 11 1 1 A 43 43 LYS CA C 43 57.664 58.544 -0.880 1 1 496 . 11 1 1 A 43 43 LYS CB C 43 33.329 32.494 0.835 1 1 500 . 11 1 1 A 43 43 LYS N N 43 116.913 119.518 -2.605 1 1 501 . 11 1 1 A 44 44 GLY H H 44 9.268 9.052 0.216 1 1 502 . 11 1 1 A 44 44 GLY HA2 H 44 3.692 4.030 -0.338 1 1 503 . 11 1 1 A 44 44 GLY HA3 H 44 4.596 4.033 0.563 1 1 504 . 11 1 1 A 44 44 GLY C C 44 173.671 173.371 0.300 1 1 505 . 11 1 1 A 44 44 GLY CA C 44 44.813 45.252 -0.439 1 1 506 . 11 1 1 A 44 44 GLY N N 44 111.112 112.544 -1.432 1 1 507 . 11 1 1 A 45 45 LYS H H 45 7.516 7.340 0.176 1 1 508 . 11 1 1 A 45 45 LYS HA H 45 4.754 4.776 -0.022 1 1 515 . 11 1 1 A 45 45 LYS C C 45 175.214 174.651 0.563 1 1 516 . 11 1 1 A 45 45 LYS CA C 45 54.820 55.066 -0.246 1 1 517 . 11 1 1 A 45 45 LYS CB C 45 36.883 36.080 0.803 1 1 521 . 11 1 1 A 45 45 LYS N N 45 117.944 121.162 -3.218 1 1 522 . 11 1 1 A 46 46 VAL H H 46 8.887 8.625 0.262 1 1 523 . 11 1 1 A 46 46 VAL HA H 46 3.950 4.392 -0.442 1 1 531 . 11 1 1 A 46 46 VAL C C 46 174.876 175.334 -0.458 1 1 532 . 11 1 1 A 46 46 VAL CA C 46 64.773 63.348 1.425 1 1 533 . 11 1 1 A 46 46 VAL CB C 46 31.962 32.240 -0.278 1 1 536 . 11 1 1 A 46 46 VAL N N 46 124.776 124.338 0.438 1 1 537 . 11 1 1 A 47 47 THR H H 47 8.956 8.897 0.059 1 1 538 . 11 1 1 A 47 47 THR HA H 47 5.300 5.289 0.011 1 1 543 . 11 1 1 A 47 47 THR C C 47 172.579 173.557 -0.978 1 1 544 . 11 1 1 A 47 47 THR CA C 47 62.312 61.311 1.001 1 1 545 . 11 1 1 A 47 47 THR CB C 47 73.249 72.496 0.753 1 1 547 . 11 1 1 A 47 47 THR N N 47 124.132 120.874 3.258 1 1 548 . 11 1 1 A 48 48 ILE H H 48 9.160 8.994 0.166 1 1 549 . 11 1 1 A 48 48 ILE HA H 48 4.740 5.060 -0.320 1 1 559 . 11 1 1 A 48 48 ILE C C 48 173.972 175.246 -1.274 1 1 560 . 11 1 1 A 48 48 ILE CA C 48 61.441 59.835 1.606 1 1 561 . 11 1 1 A 48 48 ILE CB C 48 40.438 41.875 -1.437 1 1 565 . 11 1 1 A 48 48 ILE N N 48 128.515 124.972 3.543 1 1 566 . 11 1 1 A 49 49 ILE H H 49 9.507 9.159 0.348 1 1 567 . 11 1 1 A 49 49 ILE HA H 49 4.883 5.025 -0.142 1 1 577 . 11 1 1 A 49 49 ILE C C 49 174.650 174.189 0.461 1 1 578 . 11 1 1 A 49 49 ILE CA C 49 60.773 60.483 0.290 1 1 579 . 11 1 1 A 49 49 ILE CB C 49 41.532 41.386 0.146 1 1 583 . 11 1 1 A 49 49 ILE N N 49 126.194 127.358 -1.164 1 1 584 . 11 1 1 A 50 50 SER H H 50 9.079 9.178 -0.099 1 1 585 . 11 1 1 A 50 50 SER HA H 50 5.138 5.389 -0.251 1 1 588 . 11 1 1 A 50 50 SER C C 50 172.692 173.955 -1.263 1 1 589 . 11 1 1 A 50 50 SER CA C 50 56.843 57.289 -0.446 1 1 590 . 11 1 1 A 50 50 SER CB C 50 64.773 64.981 -0.208 1 1 591 . 11 1 1 A 50 50 SER N N 50 121.940 123.676 -1.736 1 1 592 . 11 1 1 A 51 51 VAL H H 51 9.010 9.042 -0.032 1 1 593 . 11 1 1 A 51 51 VAL HA H 51 4.873 5.219 -0.346 1 1 601 . 11 1 1 A 51 51 VAL CA C 51 61.595 60.896 0.699 1 1 602 . 11 1 1 A 51 51 VAL CB C 51 32.509 34.987 -2.478 1 1 605 . 11 1 1 A 51 51 VAL N N 51 128.128 125.074 3.054 1 1 606 . 11 1 1 A 52 52 ILE H H 52 8.182 8.878 -0.696 1 1 607 . 11 1 1 A 52 52 ILE HA H 52 4.862 4.862 0.000 1 1 616 . 11 1 1 A 52 52 ILE CA C 52 58.026 57.149 0.877 1 1 617 . 11 1 1 A 52 52 ILE CB C 52 43.172 40.973 2.199 1 1 621 . 11 1 1 A 52 52 ILE N N 52 124.776 123.173 1.603 1 1 622 . 11 1 1 A 53 53 PRO HA H 53 4.904 4.571 0.333 1 1 629 . 11 1 1 A 53 53 PRO CA C 53 65.560 64.303 1.257 1 1 630 . 11 1 1 A 53 53 PRO CB C 53 31.826 32.247 -0.421 1 1 633 . 11 1 1 A 54 54 SER H H 54 7.214 7.719 -0.505 1 1 634 . 11 1 1 A 54 54 SER HA H 54 5.100 4.711 0.389 1 1 637 . 11 1 1 A 54 54 SER CA C 54 57.417 57.233 0.184 1 1 638 . 11 1 1 A 54 54 SER CB C 54 65.195 64.777 0.418 1 1 639 . 11 1 1 A 54 54 SER N N 54 107.901 112.425 -4.524 1 1 640 . 11 1 1 A 55 55 ILE H H 55 7.330 8.607 -1.277 1 1 641 . 11 1 1 A 55 55 ILE HA H 55 5.075 4.578 0.497 1 1 651 . 11 1 1 A 55 55 ILE CA C 55 61.734 61.210 0.524 1 1 652 . 11 1 1 A 55 55 ILE CB C 55 36.233 39.753 -3.520 1 1 656 . 11 1 1 A 56 56 ASP H H 56 8.699 7.809 0.890 1 1 657 . 11 1 1 A 56 56 ASP HA H 56 5.075 4.528 0.547 1 1 660 . 11 1 1 A 56 56 ASP CA C 56 54.407 55.967 -1.560 1 1 661 . 11 1 1 A 56 56 ASP CB C 56 42.832 40.933 1.899 1 1 662 . 11 1 1 A 56 56 ASP N N 56 121.940 122.490 -0.550 1 1 663 . 11 1 1 A 57 57 THR H H 57 7.294 7.775 -0.481 1 1 664 . 11 1 1 A 57 57 THR HA H 57 4.323 4.191 0.132 1 1 669 . 11 1 1 A 57 57 THR C C 57 175.440 176.029 -0.589 1 1 670 . 11 1 1 A 57 57 THR CA C 57 61.765 63.511 -1.746 1 1 671 . 11 1 1 A 57 57 THR CB C 57 69.421 70.569 -1.148 1 1 673 . 11 1 1 A 57 57 THR N N 57 108.921 110.460 -1.539 1 1 674 . 11 1 1 A 58 58 GLY H H 58 8.215 7.765 0.450 1 1 675 . 11 1 1 A 58 58 GLY HA2 H 58 4.012 3.922 0.090 1 1 676 . 11 1 1 A 58 58 GLY HA3 H 58 4.012 3.926 0.086 1 1 677 . 11 1 1 A 58 58 GLY C C 58 173.520 175.558 -2.038 1 1 678 . 11 1 1 A 58 58 GLY CA C 58 45.360 45.600 -0.240 1 1 679 . 11 1 1 A 58 58 GLY N N 58 110.969 110.089 0.880 1 1 680 . 11 1 1 A 59 59 VAL H H 59 7.976 8.073 -0.097 1 1 681 . 11 1 1 A 59 59 VAL HA H 59 4.307 3.762 0.545 1 1 689 . 11 1 1 A 59 59 VAL C C 59 175.854 177.485 -1.631 1 1 690 . 11 1 1 A 59 59 VAL CA C 59 61.765 65.667 -3.902 1 1 691 . 11 1 1 A 59 59 VAL CB C 59 33.329 31.391 1.938 1 1 694 . 11 1 1 A 59 59 VAL N N 59 118.501 120.019 -1.518 1 1 696 . 11 1 1 A 61 61 ASP HA H 61 4.323 4.337 -0.014 1 1 697 . 11 1 1 A 61 61 ASP CA C 61 54.382 57.125 -2.743 1 1 698 . 11 1 1 A 61 61 ASP CB C 61 39.142 41.242 -2.100 1 1 699 . 11 1 1 A 62 62 ALA H H 62 8.663 7.963 0.700 1 1 700 . 11 1 1 A 62 62 ALA HA H 62 3.971 3.913 0.058 1 1 704 . 11 1 1 A 62 62 ALA C C 62 180.485 177.784 2.701 1 1 705 . 11 1 1 A 62 62 ALA CA C 62 55.203 54.144 1.059 1 1 706 . 11 1 1 A 62 62 ALA CB C 62 18.838 18.563 0.275 1 1 707 . 11 1 1 A 63 63 GLN H H 63 8.550 8.125 0.425 1 1 708 . 11 1 1 A 63 63 GLN HA H 63 3.865 4.632 -0.767 1 1 715 . 11 1 1 A 63 63 GLN C C 63 178.527 177.792 0.735 1 1 716 . 11 1 1 A 63 63 GLN CA C 63 59.346 57.392 1.954 1 1 717 . 11 1 1 A 63 63 GLN CB C 63 28.635 31.415 -2.780 1 1 719 . 11 1 1 A 63 63 GLN N N 63 117.429 116.569 0.860 1 1 721 . 11 1 1 A 64 64 THR H H 64 8.121 8.168 -0.047 1 1 722 . 11 1 1 A 64 64 THR HA H 64 3.624 4.059 -0.435 1 1 727 . 11 1 1 A 64 64 THR C C 64 178.527 176.561 1.966 1 1 728 . 11 1 1 A 64 64 THR CA C 64 66.686 67.226 -0.540 1 1 729 . 11 1 1 A 64 64 THR CB C 64 68.600 68.228 0.372 1 1 731 . 11 1 1 A 64 64 THR N N 64 118.460 116.309 2.151 1 1 732 . 11 1 1 A 65 65 ARG H H 65 7.530 8.468 -0.938 1 1 733 . 11 1 1 A 65 65 ARG HA H 65 3.904 3.930 -0.026 1 1 739 . 11 1 1 A 65 65 ARG CA C 65 59.507 59.823 -0.316 1 1 740 . 11 1 1 A 65 65 ARG CB C 65 29.637 29.851 -0.214 1 1 743 . 11 1 1 A 66 66 ARG H H 66 7.972 7.861 0.111 1 1 744 . 11 1 1 A 66 66 ARG HA H 66 4.056 3.859 0.197 1 1 751 . 11 1 1 A 66 66 ARG C C 66 177.624 178.063 -0.439 1 1 752 . 11 1 1 A 66 66 ARG CA C 66 59.031 58.604 0.427 1 1 753 . 11 1 1 A 66 66 ARG CB C 66 29.228 29.404 -0.176 1 1 756 . 11 1 1 A 66 66 ARG N N 66 118.460 119.323 -0.863 1 1 757 . 11 1 1 A 67 67 PHE H H 67 7.673 8.378 -0.705 1 1 758 . 11 1 1 A 67 67 PHE HA H 67 4.260 4.147 0.113 1 1 763 . 11 1 1 A 67 67 PHE C C 67 176.043 177.861 -1.818 1 1 764 . 11 1 1 A 67 67 PHE CA C 67 60.945 61.196 -0.251 1 1 765 . 11 1 1 A 67 67 PHE CB C 67 39.071 39.441 -0.370 1 1 766 . 11 1 1 A 67 67 PHE N N 67 119.362 120.439 -1.077 1 1 767 . 11 1 1 A 68 68 ASN H H 68 7.688 8.391 -0.703 1 1 768 . 11 1 1 A 68 68 ASN HA H 68 4.150 3.956 0.194 1 1 771 . 11 1 1 A 68 68 ASN C C 68 177.172 177.276 -0.104 1 1 772 . 11 1 1 A 68 68 ASN CA C 68 55.750 55.872 -0.122 1 1 773 . 11 1 1 A 68 68 ASN CB C 68 37.977 38.381 -0.404 1 1 774 . 11 1 1 A 68 68 ASN N N 68 117.042 117.637 -0.595 1 1 775 . 11 1 1 A 69 69 GLU H H 69 8.185 8.381 -0.196 1 1 776 . 11 1 1 A 69 69 GLU HA H 69 3.848 3.926 -0.078 1 1 781 . 11 1 1 A 69 69 GLU C C 69 179.468 178.908 0.560 1 1 782 . 11 1 1 A 69 69 GLU CA C 69 59.577 59.612 -0.035 1 1 783 . 11 1 1 A 69 69 GLU CB C 69 30.321 29.012 1.309 1 1 785 . 11 1 1 A 69 69 GLU N N 69 118.975 118.835 0.140 1 1 786 . 11 1 1 A 70 70 GLU H H 70 8.671 8.073 0.598 1 1 787 . 11 1 1 A 70 70 GLU HA H 70 3.807 3.963 -0.156 1 1 792 . 11 1 1 A 70 70 GLU C C 70 179.468 179.017 0.451 1 1 793 . 11 1 1 A 70 70 GLU CA C 70 58.757 59.212 -0.455 1 1 794 . 11 1 1 A 70 70 GLU CB C 70 29.501 29.640 -0.139 1 1 796 . 11 1 1 A 70 70 GLU N N 70 118.975 118.175 0.800 1 1 797 . 11 1 1 A 71 71 ALA H H 71 8.418 8.150 0.268 1 1 798 . 11 1 1 A 71 71 ALA HA H 71 3.616 3.992 -0.376 1 1 802 . 11 1 1 A 71 71 ALA C C 71 178.226 180.108 -1.882 1 1 803 . 11 1 1 A 71 71 ALA CA C 71 54.656 54.883 -0.227 1 1 804 . 11 1 1 A 71 71 ALA CB C 71 18.017 17.651 0.366 1 1 805 . 11 1 1 A 71 71 ALA N N 71 122.069 123.042 -0.973 1 1 806 . 11 1 1 A 72 72 ALA H H 72 7.520 7.885 -0.365 1 1 807 . 11 1 1 A 72 72 ALA HA H 72 3.842 3.951 -0.109 1 1 811 . 11 1 1 A 72 72 ALA C C 72 179.280 178.012 1.268 1 1 812 . 11 1 1 A 72 72 ALA CA C 72 54.109 54.432 -0.323 1 1 813 . 11 1 1 A 72 72 ALA CB C 72 18.564 18.156 0.408 1 1 814 . 11 1 1 A 72 72 ALA N N 72 116.139 119.599 -3.460 1 1 815 . 11 1 1 A 73 73 LYS H H 73 7.302 7.472 -0.170 1 1 816 . 11 1 1 A 73 73 LYS HA H 73 4.129 4.237 -0.108 1 1 825 . 11 1 1 A 73 73 LYS C C 73 177.661 178.267 -0.606 1 1 826 . 11 1 1 A 73 73 LYS CA C 73 57.116 57.040 0.076 1 1 827 . 11 1 1 A 73 73 LYS CB C 73 32.782 32.641 0.141 1 1 831 . 11 1 1 A 73 73 LYS N N 73 114.850 115.845 -0.995 1 1 832 . 11 1 1 A 74 74 LEU H H 74 7.398 7.304 0.094 1 1 833 . 11 1 1 A 74 74 LEU HA H 74 3.983 4.067 -0.084 1 1 843 . 11 1 1 A 74 74 LEU C C 74 177.021 176.826 0.195 1 1 844 . 11 1 1 A 74 74 LEU CA C 74 56.843 56.612 0.231 1 1 845 . 11 1 1 A 74 74 LEU CB C 74 42.625 42.779 -0.154 1 1 849 . 11 1 1 A 74 74 LEU N N 74 118.460 119.393 -0.933 1 1 850 . 11 1 1 A 75 75 GLY H H 75 7.174 7.226 -0.052 1 1 851 . 11 1 1 A 75 75 GLY HA2 H 75 4.215 4.067 0.148 1 1 852 . 11 1 1 A 75 75 GLY HA3 H 75 3.630 4.070 -0.440 1 1 853 . 11 1 1 A 75 75 GLY C C 75 172.805 173.353 -0.548 1 1 854 . 11 1 1 A 75 75 GLY CA C 75 45.360 45.670 -0.310 1 1 855 . 11 1 1 A 75 75 GLY N N 75 102.991 104.600 -1.609 1 1 856 . 11 1 1 A 76 76 ASP H H 76 8.825 8.455 0.370 1 1 857 . 11 1 1 A 76 76 ASP HA H 76 4.766 4.704 0.062 1 1 860 . 11 1 1 A 76 76 ASP C C 76 173.749 176.381 -2.632 1 1 861 . 11 1 1 A 76 76 ASP CA C 76 53.708 54.060 -0.352 1 1 862 . 11 1 1 A 76 76 ASP CB C 76 39.071 40.359 -1.288 1 1 863 . 11 1 1 A 76 76 ASP N N 76 126.839 122.376 4.463 1 1 864 . 11 1 1 A 77 77 VAL H H 77 7.511 7.310 0.201 1 1 865 . 11 1 1 A 77 77 VAL HA H 77 4.772 3.976 0.796 1 1 873 . 11 1 1 A 77 77 VAL C C 77 175.629 176.195 -0.566 1 1 874 . 11 1 1 A 77 77 VAL CA C 77 58.959 62.782 -3.823 1 1 875 . 11 1 1 A 77 77 VAL CB C 77 34.970 32.006 2.964 1 1 878 . 11 1 1 A 77 77 VAL N N 77 115.615 119.988 -4.373 1 1 879 . 11 1 1 A 78 78 ASN H H 78 8.822 8.668 0.154 1 1 880 . 11 1 1 A 78 78 ASN HA H 78 4.820 4.675 0.145 1 1 885 . 11 1 1 A 78 78 ASN C C 78 174.047 175.333 -1.286 1 1 886 . 11 1 1 A 78 78 ASN CA C 78 52.085 53.969 -1.884 1 1 887 . 11 1 1 A 78 78 ASN CB C 78 40.438 38.711 1.727 1 1 888 . 11 1 1 A 78 78 ASN N N 78 120.393 125.366 -4.973 1 1 890 . 11 1 1 A 79 79 VAL H H 79 8.044 8.385 -0.341 1 1 891 . 11 1 1 A 79 79 VAL HA H 79 4.669 4.883 -0.214 1 1 899 . 11 1 1 A 79 79 VAL C C 79 174.123 173.355 0.768 1 1 900 . 11 1 1 A 79 79 VAL CA C 79 61.491 59.608 1.883 1 1 901 . 11 1 1 A 79 79 VAL CB C 79 33.329 35.031 -1.702 1 1 904 . 11 1 1 A 79 79 VAL N N 79 122.456 117.483 4.973 1 1 905 . 11 1 1 A 80 80 TYR H H 80 8.944 8.751 0.193 1 1 906 . 11 1 1 A 80 80 TYR HA H 80 6.170 5.345 0.825 1 1 911 . 11 1 1 A 80 80 TYR C C 80 177.210 175.360 1.850 1 1 912 . 11 1 1 A 80 80 TYR CA C 80 54.929 55.978 -1.049 1 1 913 . 11 1 1 A 80 80 TYR CB C 80 42.899 42.976 -0.077 1 1 914 . 11 1 1 A 80 80 TYR N N 80 123.229 123.754 -0.525 1 1 915 . 11 1 1 A 81 81 THR H H 81 8.465 8.495 -0.030 1 1 916 . 11 1 1 A 81 81 THR HA H 81 5.652 5.142 0.510 1 1 921 . 11 1 1 A 81 81 THR C C 81 172.880 173.226 -0.346 1 1 922 . 11 1 1 A 81 81 THR CA C 81 62.038 61.616 0.422 1 1 923 . 11 1 1 A 81 81 THR CB C 81 71.608 70.996 0.612 1 1 925 . 11 1 1 A 81 81 THR N N 81 119.491 115.829 3.662 1 1 926 . 11 1 1 A 82 82 ILE H H 82 8.958 9.456 -0.498 1 1 927 . 11 1 1 A 82 82 ILE HA H 82 5.145 4.520 0.625 1 1 937 . 11 1 1 A 82 82 ILE C C 82 174.123 175.374 -1.251 1 1 938 . 11 1 1 A 82 82 ILE CA C 82 59.847 61.419 -1.572 1 1 939 . 11 1 1 A 82 82 ILE CB C 82 39.618 37.920 1.698 1 1 943 . 11 1 1 A 82 82 ILE N N 82 125.550 128.844 -3.294 1 1 944 . 11 1 1 A 83 83 SER H H 83 7.731 9.078 -1.347 1 1 945 . 11 1 1 A 83 83 SER HA H 83 4.909 5.378 -0.469 1 1 948 . 11 1 1 A 83 83 SER C C 83 173.182 173.590 -0.408 1 1 949 . 11 1 1 A 83 83 SER CA C 83 57.034 57.548 -0.514 1 1 950 . 11 1 1 A 83 83 SER CB C 83 68.054 66.573 1.481 1 1 951 . 11 1 1 A 83 83 SER N N 83 117.171 124.638 -7.467 1 1 952 . 11 1 1 A 84 84 ALA H H 84 9.548 8.498 1.050 1 1 953 . 11 1 1 A 84 84 ALA HA H 84 4.177 4.656 -0.479 1 1 957 . 11 1 1 A 84 84 ALA C C 84 175.290 177.795 -2.505 1 1 958 . 11 1 1 A 84 84 ALA CA C 84 51.922 51.814 0.108 1 1 959 . 11 1 1 A 84 84 ALA CB C 84 19.111 20.302 -1.191 1 1 960 . 11 1 1 A 84 84 ALA N N 84 120.651 126.019 -5.368 1 1 961 . 11 1 1 A 85 85 ASP H H 85 7.739 8.520 -0.781 1 1 962 . 11 1 1 A 85 85 ASP HA H 85 4.380 3.625 0.755 1 1 965 . 11 1 1 A 85 85 ASP C C 85 175.591 176.228 -0.637 1 1 966 . 11 1 1 A 85 85 ASP CA C 85 55.136 55.368 -0.232 1 1 967 . 11 1 1 A 85 85 ASP CB C 85 43.011 40.800 2.211 1 1 968 . 11 1 1 A 85 85 ASP N N 85 114.721 118.304 -3.583 1 1 969 . 11 1 1 A 86 86 LEU H H 86 8.475 7.148 1.327 1 1 970 . 11 1 1 A 86 86 LEU HA H 86 3.956 4.276 -0.320 1 1 980 . 11 1 1 A 86 86 LEU CA C 86 54.656 53.166 1.490 1 1 981 . 11 1 1 A 86 86 LEU CB C 86 39.380 43.696 -4.316 1 1 985 . 11 1 1 A 87 87 PRO HA H 87 4.225 4.185 0.040 1 1 992 . 11 1 1 A 87 87 PRO CA C 87 65.046 64.453 0.593 1 1 993 . 11 1 1 A 87 87 PRO CB C 87 32.264 31.423 0.841 1 1 996 . 11 1 1 A 88 88 PHE H H 88 5.565 7.914 -2.349 1 1 997 . 11 1 1 A 88 88 PHE HA H 88 4.340 4.573 -0.233 1 1 1000 . 11 1 1 A 88 88 PHE CA C 88 57.664 58.266 -0.602 1 1 1001 . 11 1 1 A 88 88 PHE CB C 88 39.344 38.750 0.594 1 1 1002 . 11 1 1 A 88 88 PHE N N 88 110.725 115.529 -4.804 1 1 1003 . 11 1 1 A 89 89 ALA H H 89 7.381 7.558 -0.177 1 1 1004 . 11 1 1 A 89 89 ALA HA H 89 4.239 4.639 -0.400 1 1 1008 . 11 1 1 A 89 89 ALA CA C 89 52.009 50.499 1.510 1 1 1009 . 11 1 1 A 89 89 ALA CB C 89 19.761 22.211 -2.450 1 1 1010 . 11 1 1 A 89 89 ALA N N 89 114.850 121.335 -6.485 1 1 1011 . 11 1 1 A 90 90 GLN H H 90 7.231 9.324 -2.093 1 1 1012 . 11 1 1 A 90 90 GLN HA H 90 3.695 3.583 0.112 1 1 1018 . 11 1 1 A 90 90 GLN CA C 90 59.578 57.557 2.021 1 1 1019 . 11 1 1 A 90 90 GLN CB C 90 28.728 27.217 1.511 1 1 1022 . 11 1 1 A 91 91 ALA H H 91 7.741 7.044 0.697 1 1 1023 . 11 1 1 A 91 91 ALA HA H 91 4.202 3.471 0.731 1 1 1027 . 11 1 1 A 91 91 ALA CA C 91 54.382 53.877 0.505 1 1 1028 . 11 1 1 A 91 91 ALA CB C 91 18.837 16.669 2.168 1 1 1029 . 11 1 1 A 91 91 ALA N N 91 118.589 120.575 -1.986 1 1 1030 . 11 1 1 A 92 92 ARG H H 92 7.354 7.980 -0.626 1 1 1031 . 11 1 1 A 92 92 ARG HA H 92 4.588 4.569 0.019 1 1 1038 . 11 1 1 A 92 92 ARG CA C 92 55.476 55.084 0.392 1 1 1039 . 11 1 1 A 92 92 ARG CB C 92 30.048 30.767 -0.719 1 1 1042 . 11 1 1 A 93 93 TRP H H 93 7.767 7.285 0.482 1 1 1043 . 11 1 1 A 93 93 TRP HA H 93 4.881 4.464 0.417 1 1 1050 . 11 1 1 A 93 93 TRP CA C 93 57.534 57.493 0.041 1 1 1051 . 11 1 1 A 93 93 TRP CB C 93 29.501 29.316 0.185 1 1 1052 . 11 1 1 A 93 93 TRP N N 93 121.927 119.574 2.353 1 1 1054 . 11 1 1 A 94 94 CYS HA H 94 3.901 4.290 -0.389 1 1 1057 . 11 1 1 A 94 94 CYS CA C 94 59.577 59.087 0.490 1 1 1058 . 11 1 1 A 94 94 CYS CB C 94 43.446 42.229 1.217 1 1 1059 . 11 1 1 A 95 95 GLY HA2 H 95 5.122 3.948 1.174 1 1 1060 . 11 1 1 A 95 95 GLY HA3 H 95 3.691 3.970 -0.279 1 1 1061 . 11 1 1 A 95 95 GLY CA C 95 45.511 45.543 -0.032 1 1 1062 . 11 1 1 A 96 96 ALA H H 96 7.504 7.558 -0.054 1 1 1063 . 11 1 1 A 96 96 ALA HA H 96 4.412 4.408 0.004 1 1 1067 . 11 1 1 A 96 96 ALA CA C 96 51.699 50.906 0.793 1 1 1068 . 11 1 1 A 96 96 ALA CB C 96 21.025 19.875 1.150 1 1 1069 . 11 1 1 A 96 96 ALA N N 96 121.579 121.074 0.505 1 1 1070 . 11 1 1 A 97 97 ASN H H 97 7.345 8.019 -0.674 1 1 1071 . 11 1 1 A 97 97 ASN HA H 97 4.551 4.974 -0.423 1 1 1076 . 11 1 1 A 97 97 ASN CA C 97 54.929 52.307 2.622 1 1 1077 . 11 1 1 A 97 97 ASN CB C 97 39.071 41.352 -2.281 1 1 1079 . 11 1 1 A 98 98 GLY H H 98 8.890 8.714 0.176 1 1 1080 . 11 1 1 A 98 98 GLY HA2 H 98 3.796 3.926 -0.130 1 1 1081 . 11 1 1 A 98 98 GLY HA3 H 98 4.070 3.927 0.143 1 1 1082 . 11 1 1 A 98 98 GLY C C 98 174.160 173.467 0.693 1 1 1083 . 11 1 1 A 98 98 GLY CA C 98 45.841 45.465 0.376 1 1 1084 . 11 1 1 A 99 99 ILE H H 99 7.739 7.453 0.286 1 1 1085 . 11 1 1 A 99 99 ILE HA H 99 4.198 4.476 -0.278 1 1 1095 . 11 1 1 A 99 99 ILE C C 99 175.561 175.723 -0.162 1 1 1096 . 11 1 1 A 99 99 ILE CA C 99 60.671 59.144 1.527 1 1 1097 . 11 1 1 A 99 99 ILE CB C 99 38.524 37.894 0.630 1 1 1101 . 11 1 1 A 99 99 ILE N N 99 120.780 114.902 5.878 1 1 1102 . 11 1 1 A 100 100 ASP H H 100 8.372 8.352 0.020 1 1 1103 . 11 1 1 A 100 100 ASP HA H 100 4.426 4.190 0.236 1 1 1106 . 11 1 1 A 100 100 ASP C C 100 176.325 177.818 -1.493 1 1 1107 . 11 1 1 A 100 100 ASP CA C 100 56.023 56.837 -0.814 1 1 1108 . 11 1 1 A 100 100 ASP CB C 100 40.985 40.937 0.048 1 1 1109 . 11 1 1 A 100 100 ASP N N 100 126.194 125.298 0.896 1 1 1110 . 11 1 1 A 101 101 LYS H H 101 8.081 7.792 0.289 1 1 1111 . 11 1 1 A 101 101 LYS HA H 101 4.052 4.142 -0.090 1 1 1120 . 11 1 1 A 101 101 LYS C C 101 175.874 177.460 -1.586 1 1 1121 . 11 1 1 A 101 101 LYS CA C 101 58.210 58.059 0.151 1 1 1122 . 11 1 1 A 101 101 LYS CB C 101 31.689 32.148 -0.459 1 1 1126 . 11 1 1 A 101 101 LYS N N 101 115.366 116.764 -1.398 1 1 1127 . 11 1 1 A 102 102 VAL H H 102 7.631 7.386 0.245 1 1 1128 . 11 1 1 A 102 102 VAL HA H 102 4.419 3.930 0.489 1 1 1136 . 11 1 1 A 102 102 VAL C C 102 175.145 175.224 -0.079 1 1 1137 . 11 1 1 A 102 102 VAL CA C 102 61.919 63.358 -1.439 1 1 1138 . 11 1 1 A 102 102 VAL CB C 102 32.782 31.857 0.925 1 1 1141 . 11 1 1 A 102 102 VAL N N 102 119.362 121.045 -1.683 1 1 1142 . 11 1 1 A 103 103 GLU H H 103 8.489 8.395 0.094 1 1 1143 . 11 1 1 A 103 103 GLU HA H 103 4.931 5.068 -0.137 1 1 1148 . 11 1 1 A 103 103 GLU C C 103 175.943 175.608 0.335 1 1 1149 . 11 1 1 A 103 103 GLU CA C 103 55.140 54.428 0.712 1 1 1150 . 11 1 1 A 103 103 GLU CB C 103 33.329 33.205 0.124 1 1 1152 . 11 1 1 A 103 103 GLU N N 103 126.581 126.744 -0.163 1 1 1153 . 11 1 1 A 104 104 THR H H 104 8.690 8.535 0.155 1 1 1154 . 11 1 1 A 104 104 THR HA H 104 5.292 4.937 0.355 1 1 1159 . 11 1 1 A 104 104 THR C C 104 173.165 173.802 -0.637 1 1 1160 . 11 1 1 A 104 104 THR CA C 104 58.757 60.001 -1.244 1 1 1161 . 11 1 1 A 104 104 THR CB C 104 69.967 69.849 0.118 1 1 1163 . 11 1 1 A 104 104 THR N N 104 114.979 116.345 -1.366 1 1 1164 . 11 1 1 A 105 105 LEU H H 105 8.635 9.035 -0.400 1 1 1165 . 11 1 1 A 105 105 LEU HA H 105 4.979 5.281 -0.302 1 1 1175 . 11 1 1 A 105 105 LEU C C 105 176.985 176.176 0.809 1 1 1176 . 11 1 1 A 105 105 LEU CA C 105 52.849 53.474 -0.625 1 1 1177 . 11 1 1 A 105 105 LEU CB C 105 45.633 45.884 -0.251 1 1 1181 . 11 1 1 A 105 105 LEU N N 105 119.233 125.201 -5.968 1 1 1182 . 11 1 1 A 106 106 SER H H 106 9.670 9.384 0.286 1 1 1183 . 11 1 1 A 106 106 SER HA H 106 5.485 4.961 0.524 1 1 1186 . 11 1 1 A 106 106 SER C C 106 176.256 174.502 1.754 1 1 1187 . 11 1 1 A 106 106 SER CA C 106 56.570 56.864 -0.294 1 1 1188 . 11 1 1 A 106 106 SER CB C 106 65.593 64.110 1.483 1 1 1189 . 11 1 1 A 106 106 SER N N 106 114.979 118.759 -3.780 1 1 1190 . 11 1 1 A 107 107 ASP H H 107 8.764 7.947 0.817 1 1 1191 . 11 1 1 A 107 107 ASP HA H 107 5.517 4.138 1.379 1 1 1194 . 11 1 1 A 107 107 ASP CA C 107 52.753 56.827 -4.074 1 1 1195 . 11 1 1 A 107 107 ASP CB C 107 45.086 41.275 3.811 1 1 1196 . 11 1 1 A 107 107 ASP N N 107 132.898 122.303 10.595 1 1 1197 . 11 1 1 A 108 108 HIS H H 108 7.940 8.179 -0.239 1 1 1198 . 11 1 1 A 108 108 HIS HA H 108 4.075 4.370 -0.295 1 1 1200 . 11 1 1 A 108 108 HIS CA C 108 59.577 58.900 0.677 1 1 1201 . 11 1 1 A 108 108 HIS CB C 108 29.861 28.630 1.231 1 1 1202 . 11 1 1 A 108 108 HIS N N 108 116.397 116.773 -0.376 1 1 1203 . 11 1 1 A 109 109 ARG HA H 109 4.214 4.021 0.193 1 1 1206 . 11 1 1 A 109 109 ARG CA C 109 59.031 59.495 -0.464 1 1 1207 . 11 1 1 A 109 109 ARG CB C 109 27.861 30.028 -2.167 1 1 1208 . 11 1 1 A 110 110 ASP HA H 110 4.867 4.871 -0.004 1 1 1211 . 11 1 1 A 110 110 ASP C C 110 175.735 175.968 -0.233 1 1 1212 . 11 1 1 A 110 110 ASP CA C 110 53.708 53.086 0.622 1 1 1213 . 11 1 1 A 110 110 ASP CB C 110 43.875 42.053 1.822 1 1 1214 . 11 1 1 A 111 111 MET H H 111 7.899 8.544 -0.645 1 1 1215 . 11 1 1 A 111 111 MET HA H 111 4.503 4.264 0.239 1 1 1221 . 11 1 1 A 111 111 MET C C 111 177.332 176.100 1.232 1 1 1222 . 11 1 1 A 111 111 MET CA C 111 56.570 56.856 -0.286 1 1 1223 . 11 1 1 A 111 111 MET CB C 111 30.868 30.565 0.303 1 1 1226 . 11 1 1 A 111 111 MET N N 111 116.397 117.309 -0.912 1 1 1227 . 11 1 1 A 112 112 SER H H 112 7.931 8.265 -0.334 1 1 1228 . 11 1 1 A 112 112 SER HA H 112 4.248 4.374 -0.126 1 1 1231 . 11 1 1 A 112 112 SER C C 112 179.173 176.428 2.745 1 1 1232 . 11 1 1 A 112 112 SER CA C 112 60.945 61.790 -0.845 1 1 1233 . 11 1 1 A 112 112 SER CB C 112 64.499 62.946 1.553 1 1 1234 . 11 1 1 A 112 112 SER N N 112 113.561 113.354 0.207 1 1 1235 . 11 1 1 A 113 113 PHE H H 113 10.125 8.563 1.562 1 1 1236 . 11 1 1 A 113 113 PHE HA H 113 3.593 4.208 -0.615 1 1 1241 . 11 1 1 A 113 113 PHE C C 113 177.437 178.032 -0.595 1 1 1242 . 11 1 1 A 113 113 PHE CA C 113 62.312 61.527 0.785 1 1 1243 . 11 1 1 A 113 113 PHE CB C 113 37.704 38.770 -1.066 1 1 1244 . 11 1 1 A 113 113 PHE N N 113 125.550 122.011 3.539 1 1 1245 . 11 1 1 A 114 114 GLY H H 114 10.707 9.049 1.658 1 1 1246 . 11 1 1 A 114 114 GLY HA2 H 114 3.396 3.706 -0.310 1 1 1247 . 11 1 1 A 114 114 GLY HA3 H 114 3.218 3.818 -0.600 1 1 1248 . 11 1 1 A 114 114 GLY C C 114 175.735 175.853 -0.118 1 1 1249 . 11 1 1 A 114 114 GLY CA C 114 48.641 47.417 1.224 1 1 1250 . 11 1 1 A 114 114 GLY N N 114 109.178 105.214 3.964 1 1 1251 . 11 1 1 A 115 115 GLU H H 115 8.251 8.565 -0.314 1 1 1252 . 11 1 1 A 115 115 GLU HA H 115 4.431 4.263 0.168 1 1 1257 . 11 1 1 A 115 115 GLU C C 115 178.756 178.449 0.307 1 1 1258 . 11 1 1 A 115 115 GLU CA C 115 59.031 59.035 -0.004 1 1 1259 . 11 1 1 A 115 115 GLU CB C 115 29.775 29.445 0.330 1 1 1261 . 11 1 1 A 115 115 GLU N N 115 120.522 121.628 -1.106 1 1 1262 . 11 1 1 A 116 116 ALA H H 116 7.895 7.626 0.269 1 1 1263 . 11 1 1 A 116 116 ALA HA H 116 4.111 3.697 0.414 1 1 1267 . 11 1 1 A 116 116 ALA C C 116 177.610 179.253 -1.643 1 1 1268 . 11 1 1 A 116 116 ALA CA C 116 55.476 54.699 0.777 1 1 1269 . 11 1 1 A 116 116 ALA CB C 116 18.838 18.075 0.763 1 1 1270 . 11 1 1 A 116 116 ALA N N 116 123.100 122.022 1.078 1 1 1271 . 11 1 1 A 117 117 PHE H H 117 8.161 7.811 0.350 1 1 1272 . 11 1 1 A 117 117 PHE HA H 117 4.262 4.317 -0.055 1 1 1277 . 11 1 1 A 117 117 PHE C C 117 175.353 175.824 -0.471 1 1 1278 . 11 1 1 A 117 117 PHE CA C 117 56.843 57.552 -0.709 1 1 1279 . 11 1 1 A 117 117 PHE CB C 117 38.251 38.507 -0.256 1 1 1280 . 11 1 1 A 117 117 PHE N N 117 113.432 113.488 -0.056 1 1 1281 . 11 1 1 A 118 118 GLY H H 118 7.685 7.637 0.048 1 1 1282 . 11 1 1 A 118 118 GLY HA2 H 118 3.544 4.023 -0.479 1 1 1283 . 11 1 1 A 118 118 GLY HA3 H 118 4.362 4.024 0.338 1 1 1284 . 11 1 1 A 118 118 GLY C C 118 174.901 175.450 -0.549 1 1 1285 . 11 1 1 A 118 118 GLY CA C 118 47.274 46.423 0.851 1 1 1286 . 11 1 1 A 118 118 GLY N N 118 112.143 107.957 4.186 1 1 1287 . 11 1 1 A 119 119 VAL H H 119 8.380 7.861 0.519 1 1 1288 . 11 1 1 A 119 119 VAL HA H 119 4.788 4.371 0.417 1 1 1296 . 11 1 1 A 119 119 VAL C C 119 174.901 176.291 -1.390 1 1 1297 . 11 1 1 A 119 119 VAL CA C 119 59.532 65.130 -5.598 1 1 1298 . 11 1 1 A 119 119 VAL CB C 119 32.509 31.649 0.860 1 1 1301 . 11 1 1 A 119 119 VAL N N 119 102.475 119.822 -17.347 1 1 1302 . 11 1 1 A 120 120 TYR H H 120 6.841 7.885 -1.044 1 1 1303 . 11 1 1 A 120 120 TYR HA H 120 4.484 4.518 -0.034 1 1 1308 . 11 1 1 A 120 120 TYR C C 120 173.443 175.236 -1.793 1 1 1309 . 11 1 1 A 120 120 TYR CA C 120 54.929 57.777 -2.848 1 1 1310 . 11 1 1 A 120 120 TYR CB C 120 37.704 38.555 -0.851 1 1 1311 . 11 1 1 A 120 120 TYR N N 120 124.518 124.739 -0.221 1 1 1312 . 11 1 1 A 121 121 ILE H H 121 9.244 8.940 0.304 1 1 1313 . 11 1 1 A 121 121 ILE HA H 121 4.419 4.017 0.402 1 1 1323 . 11 1 1 A 121 121 ILE C C 121 176.221 176.598 -0.377 1 1 1324 . 11 1 1 A 121 121 ILE CA C 121 62.014 62.023 -0.009 1 1 1325 . 11 1 1 A 121 121 ILE CB C 121 37.704 37.564 0.140 1 1 1329 . 11 1 1 A 121 121 ILE N N 121 128.772 129.082 -0.310 1 1 1330 . 11 1 1 A 122 122 LYS H H 122 9.328 8.960 0.368 1 1 1331 . 11 1 1 A 122 122 LYS HA H 122 3.588 3.493 0.095 1 1 1340 . 11 1 1 A 122 122 LYS C C 122 179.069 177.904 1.165 1 1 1341 . 11 1 1 A 122 122 LYS CA C 122 60.124 59.126 0.998 1 1 1342 . 11 1 1 A 122 122 LYS CB C 122 33.329 32.166 1.163 1 1 1346 . 11 1 1 A 122 122 LYS N N 122 134.955 129.931 5.024 1 1 1347 . 11 1 1 A 123 123 GLU H H 123 10.228 8.029 2.199 1 1 1348 . 11 1 1 A 123 123 GLU HA H 123 3.919 4.378 -0.459 1 1 1353 . 11 1 1 A 123 123 GLU C C 123 176.638 178.784 -2.146 1 1 1354 . 11 1 1 A 123 123 GLU CA C 123 61.218 58.069 3.149 1 1 1355 . 11 1 1 A 123 123 GLU CB C 123 29.228 30.694 -1.466 1 1 1357 . 11 1 1 A 123 123 GLU N N 123 115.624 118.449 -2.825 1 1 1358 . 11 1 1 A 124 124 LEU H H 124 6.480 7.977 -1.497 1 1 1359 . 11 1 1 A 124 124 LEU HA H 124 4.464 4.089 0.375 1 1 1369 . 11 1 1 A 124 124 LEU C C 124 175.403 176.251 -0.848 1 1 1370 . 11 1 1 A 124 124 LEU CA C 124 53.562 57.116 -3.554 1 1 1371 . 11 1 1 A 124 124 LEU CB C 124 44.813 41.977 2.836 1 1 1375 . 11 1 1 A 124 124 LEU N N 124 110.434 120.851 -10.417 1 1 1376 . 11 1 1 A 125 125 ARG H H 125 8.701 7.517 1.184 1 1 1377 . 11 1 1 A 125 125 ARG HA H 125 3.783 4.356 -0.573 1 1 1380 . 11 1 1 A 125 125 ARG C C 125 173.029 174.441 -1.412 1 1 1381 . 11 1 1 A 125 125 ARG CA C 125 57.664 57.277 0.387 1 1 1382 . 11 1 1 A 125 125 ARG CB C 125 30.965 27.239 3.726 1 1 1383 . 11 1 1 A 125 125 ARG N N 125 121.940 117.294 4.646 1 1 1384 . 11 1 1 A 126 126 LEU H H 126 6.671 7.539 -0.868 1 1 1385 . 11 1 1 A 126 126 LEU HA H 126 4.621 4.891 -0.270 1 1 1395 . 11 1 1 A 126 126 LEU C C 126 174.203 175.812 -1.609 1 1 1396 . 11 1 1 A 126 126 LEU CA C 126 51.922 53.305 -1.383 1 1 1397 . 11 1 1 A 126 126 LEU CB C 126 46.727 45.501 1.226 1 1 1401 . 11 1 1 A 126 126 LEU N N 126 111.885 118.271 -6.386 1 1 1402 . 11 1 1 A 127 127 LEU H H 127 8.447 8.796 -0.349 1 1 1403 . 11 1 1 A 127 127 LEU HA H 127 5.153 4.808 0.345 1 1 1413 . 11 1 1 A 127 127 LEU C C 127 175.145 176.803 -1.658 1 1 1414 . 11 1 1 A 127 127 LEU CA C 127 52.742 54.062 -1.320 1 1 1415 . 11 1 1 A 127 127 LEU CB C 127 43.172 42.154 1.018 1 1 1419 . 11 1 1 A 127 127 LEU N N 127 118.983 121.904 -2.921 1 1 1420 . 11 1 1 A 128 128 ALA H H 128 9.160 9.051 0.109 1 1 1421 . 11 1 1 A 128 128 ALA HA H 128 3.843 4.319 -0.476 1 1 1425 . 11 1 1 A 128 128 ALA C C 128 176.603 177.334 -0.731 1 1 1426 . 11 1 1 A 128 128 ALA CA C 128 52.469 52.658 -0.189 1 1 1427 . 11 1 1 A 128 128 ALA CB C 128 18.291 19.414 -1.123 1 1 1428 . 11 1 1 A 128 128 ALA N N 128 121.682 128.050 -6.368 1 1 1429 . 11 1 1 A 129 129 ARG H H 129 6.254 8.776 -2.522 1 1 1430 . 11 1 1 A 129 129 ARG HA H 129 4.700 4.802 -0.102 1 1 1436 . 11 1 1 A 129 129 ARG C C 129 176.534 174.898 1.636 1 1 1437 . 11 1 1 A 129 129 ARG CA C 129 55.651 56.881 -1.230 1 1 1438 . 11 1 1 A 129 129 ARG CB C 129 29.775 30.680 -0.905 1 1 1441 . 11 1 1 A 129 129 ARG N N 129 120.393 123.971 -3.578 1 1 1442 . 11 1 1 A 130 130 SER H H 130 8.398 8.781 -0.383 1 1 1443 . 11 1 1 A 130 130 SER HA H 130 4.767 5.160 -0.393 1 1 1446 . 11 1 1 A 130 130 SER C C 130 172.957 172.950 0.007 1 1 1447 . 11 1 1 A 130 130 SER CA C 130 57.658 57.596 0.062 1 1 1448 . 11 1 1 A 130 130 SER CB C 130 63.679 66.981 -3.302 1 1 1449 . 11 1 1 A 130 130 SER N N 130 120.264 122.848 -2.584 1 1 1450 . 11 1 1 A 131 131 VAL H H 131 7.838 8.222 -0.384 1 1 1451 . 11 1 1 A 131 131 VAL HA H 131 5.086 4.903 0.183 1 1 1459 . 11 1 1 A 131 131 VAL C C 131 172.853 172.920 -0.067 1 1 1460 . 11 1 1 A 131 131 VAL CA C 131 60.746 60.202 0.544 1 1 1461 . 11 1 1 A 131 131 VAL CB C 131 36.610 35.038 1.572 1 1 1464 . 11 1 1 A 131 131 VAL N N 131 118.460 120.448 -1.988 1 1 1465 . 11 1 1 A 132 132 PHE H H 132 9.259 9.239 0.020 1 1 1466 . 11 1 1 A 132 132 PHE HA H 132 5.583 5.543 0.040 1 1 1470 . 11 1 1 A 132 132 PHE C C 132 174.797 174.953 -0.156 1 1 1471 . 11 1 1 A 132 132 PHE CA C 132 56.296 56.196 0.100 1 1 1472 . 11 1 1 A 132 132 PHE CB C 132 44.539 43.770 0.769 1 1 1473 . 11 1 1 A 132 132 PHE N N 132 121.682 124.805 -3.123 1 1 1474 . 11 1 1 A 133 133 VAL H H 133 8.907 8.796 0.111 1 1 1475 . 11 1 1 A 133 133 VAL HA H 133 5.331 5.149 0.182 1 1 1483 . 11 1 1 A 133 133 VAL C C 133 174.450 175.197 -0.747 1 1 1484 . 11 1 1 A 133 133 VAL CA C 133 61.491 60.777 0.714 1 1 1485 . 11 1 1 A 133 133 VAL CB C 133 34.696 35.849 -1.153 1 1 1488 . 11 1 1 A 133 133 VAL N N 133 119.878 120.204 -0.326 1 1 1489 . 11 1 1 A 134 134 LEU H H 134 9.976 9.141 0.835 1 1 1490 . 11 1 1 A 134 134 LEU HA H 134 5.680 5.257 0.423 1 1 1500 . 11 1 1 A 134 134 LEU C C 134 176.777 175.362 1.415 1 1 1501 . 11 1 1 A 134 134 LEU CA C 134 52.195 53.285 -1.090 1 1 1502 . 11 1 1 A 134 134 LEU CB C 134 44.813 45.900 -1.087 1 1 1506 . 11 1 1 A 134 134 LEU N N 134 129.417 126.638 2.779 1 1 1507 . 11 1 1 A 135 135 ASP H H 135 9.051 9.175 -0.124 1 1 1508 . 11 1 1 A 135 135 ASP HA H 135 4.708 4.730 -0.022 1 1 1511 . 11 1 1 A 135 135 ASP C C 135 177.193 177.318 -0.125 1 1 1512 . 11 1 1 A 135 135 ASP CA C 135 52.276 53.698 -1.422 1 1 1513 . 11 1 1 A 135 135 ASP CB C 135 40.711 42.143 -1.432 1 1 1514 . 11 1 1 A 135 135 ASP N N 135 119.362 125.155 -5.793 1 1 1515 . 11 1 1 A 136 136 GLU H H 136 9.970 8.906 1.064 1 1 1516 . 11 1 1 A 136 136 GLU HA H 136 3.953 4.013 -0.060 1 1 1521 . 11 1 1 A 136 136 GLU C C 136 177.055 177.904 -0.849 1 1 1522 . 11 1 1 A 136 136 GLU CA C 136 58.757 59.511 -0.754 1 1 1523 . 11 1 1 A 136 136 GLU CB C 136 28.681 29.378 -0.697 1 1 1525 . 11 1 1 A 136 136 GLU N N 136 116.011 123.988 -7.977 1 1 1526 . 11 1 1 A 137 137 ASN H H 137 8.514 8.280 0.234 1 1 1527 . 11 1 1 A 137 137 ASN HA H 137 5.026 4.683 0.343 1 1 1532 . 11 1 1 A 137 137 ASN C C 137 175.943 176.341 -0.398 1 1 1533 . 11 1 1 A 137 137 ASN CA C 137 52.753 52.508 0.245 1 1 1534 . 11 1 1 A 137 137 ASN CB C 137 40.164 37.886 2.278 1 1 1535 . 11 1 1 A 137 137 ASN N N 137 117.042 113.789 3.253 1 1 1537 . 11 1 1 A 138 138 GLY H H 138 8.430 8.486 -0.056 1 1 1538 . 11 1 1 A 138 138 GLY HA2 H 138 3.690 4.016 -0.326 1 1 1539 . 11 1 1 A 138 138 GLY HA3 H 138 4.213 4.035 0.178 1 1 1540 . 11 1 1 A 138 138 GLY C C 138 172.436 174.520 -2.084 1 1 1541 . 11 1 1 A 138 138 GLY CA C 138 46.180 45.037 1.143 1 1 1542 . 11 1 1 A 138 138 GLY N N 138 109.565 109.020 0.545 1 1 1543 . 11 1 1 A 139 139 LYS H H 139 8.573 7.962 0.611 1 1 1544 . 11 1 1 A 139 139 LYS HA H 139 4.472 4.250 0.222 1 1 1553 . 11 1 1 A 139 139 LYS C C 139 176.742 175.691 1.051 1 1 1554 . 11 1 1 A 139 139 LYS CA C 139 56.195 56.654 -0.459 1 1 1555 . 11 1 1 A 139 139 LYS CB C 139 32.782 33.022 -0.240 1 1 1559 . 11 1 1 A 139 139 LYS N N 139 123.358 122.262 1.096 1 1 1560 . 11 1 1 A 140 140 VAL H H 140 9.102 8.470 0.632 1 1 1561 . 11 1 1 A 140 140 VAL HA H 140 4.293 4.548 -0.255 1 1 1569 . 11 1 1 A 140 140 VAL C C 140 177.124 175.963 1.161 1 1 1570 . 11 1 1 A 140 140 VAL CA C 140 63.952 62.346 1.606 1 1 1571 . 11 1 1 A 140 140 VAL CB C 140 31.142 32.019 -0.877 1 1 1574 . 11 1 1 A 140 140 VAL N N 140 125.292 124.826 0.466 1 1 1575 . 11 1 1 A 141 141 VAL H H 141 9.332 9.295 0.037 1 1 1576 . 11 1 1 A 141 141 VAL HA H 141 4.670 4.142 0.528 1 1 1584 . 11 1 1 A 141 141 VAL C C 141 175.249 175.693 -0.444 1 1 1585 . 11 1 1 A 141 141 VAL CA C 141 61.491 63.957 -2.466 1 1 1586 . 11 1 1 A 141 141 VAL CB C 141 32.509 32.134 0.375 1 1 1589 . 11 1 1 A 141 141 VAL N N 141 124.261 126.344 -2.083 1 1 1590 . 11 1 1 A 142 142 TYR H H 142 7.959 7.416 0.543 1 1 1591 . 11 1 1 A 142 142 TYR HA H 142 4.389 4.788 -0.399 1 1 1596 . 11 1 1 A 142 142 TYR C C 142 172.262 173.584 -1.322 1 1 1597 . 11 1 1 A 142 142 TYR CA C 142 58.757 58.237 0.520 1 1 1598 . 11 1 1 A 142 142 TYR CB C 142 41.805 41.562 0.243 1 1 1599 . 11 1 1 A 142 142 TYR N N 142 122.198 119.224 2.974 1 1 1600 . 11 1 1 A 143 143 ALA H H 143 7.642 7.928 -0.286 1 1 1601 . 11 1 1 A 143 143 ALA HA H 143 4.883 4.940 -0.057 1 1 1605 . 11 1 1 A 143 143 ALA C C 143 175.353 175.145 0.208 1 1 1606 . 11 1 1 A 143 143 ALA CA C 143 51.703 51.641 0.062 1 1 1607 . 11 1 1 A 143 143 ALA CB C 143 22.666 22.110 0.556 1 1 1608 . 11 1 1 A 143 143 ALA N N 143 129.804 128.343 1.461 1 1 1609 . 11 1 1 A 144 144 GLU H H 144 8.292 8.247 0.045 1 1 1610 . 11 1 1 A 144 144 GLU HA H 144 4.297 4.717 -0.420 1 1 1615 . 11 1 1 A 144 144 GLU C C 144 173.860 173.826 0.034 1 1 1616 . 11 1 1 A 144 144 GLU CA C 144 56.296 55.251 1.045 1 1 1617 . 11 1 1 A 144 144 GLU CB C 144 32.509 33.833 -1.324 1 1 1619 . 11 1 1 A 144 144 GLU N N 144 122.198 121.772 0.426 1 1 1620 . 11 1 1 A 145 145 TYR H H 145 9.006 9.080 -0.074 1 1 1621 . 11 1 1 A 145 145 TYR HA H 145 4.125 5.104 -0.979 1 1 1626 . 11 1 1 A 145 145 TYR C C 145 175.164 175.443 -0.279 1 1 1627 . 11 1 1 A 145 145 TYR CA C 145 57.117 56.707 0.410 1 1 1628 . 11 1 1 A 145 145 TYR CB C 145 38.251 40.233 -1.982 1 1 1629 . 11 1 1 A 145 145 TYR N N 145 128.128 124.007 4.121 1 1 1630 . 11 1 1 A 146 146 VAL H H 146 7.441 8.986 -1.545 1 1 1631 . 11 1 1 A 146 146 VAL HA H 146 3.672 4.005 -0.333 1 1 1639 . 11 1 1 A 146 146 VAL C C 146 176.777 176.311 0.466 1 1 1640 . 11 1 1 A 146 146 VAL CA C 146 64.226 63.706 0.520 1 1 1641 . 11 1 1 A 146 146 VAL CB C 146 30.868 31.550 -0.682 1 1 1644 . 11 1 1 A 146 146 VAL N N 146 125.808 126.397 -0.589 1 1 1645 . 11 1 1 A 147 147 SER H H 147 8.359 8.766 -0.407 1 1 1646 . 11 1 1 A 147 147 SER HA H 147 4.007 4.330 -0.323 1 1 1649 . 11 1 1 A 147 147 SER C C 147 172.123 175.186 -3.063 1 1 1650 . 11 1 1 A 147 147 SER CA C 147 63.132 61.239 1.893 1 1 1651 . 11 1 1 A 147 147 SER CB C 147 62.859 63.052 -0.193 1 1 1652 . 11 1 1 A 147 147 SER N N 147 121.425 122.470 -1.045 1 1 1653 . 11 1 1 A 148 148 GLU H H 148 7.177 7.993 -0.816 1 1 1654 . 11 1 1 A 148 148 GLU HA H 148 5.055 4.817 0.238 1 1 1659 . 11 1 1 A 148 148 GLU C C 148 176.082 176.103 -0.021 1 1 1660 . 11 1 1 A 148 148 GLU CA C 148 52.563 55.192 -2.629 1 1 1661 . 11 1 1 A 148 148 GLU CB C 148 29.774 30.561 -0.787 1 1 1663 . 11 1 1 A 148 148 GLU N N 148 119.620 120.942 -1.322 1 1 1664 . 11 1 1 A 149 149 ALA H H 149 9.142 9.116 0.026 1 1 1665 . 11 1 1 A 149 149 ALA HA H 149 4.704 4.105 0.599 1 1 1669 . 11 1 1 A 149 149 ALA C C 149 177.437 178.993 -1.556 1 1 1670 . 11 1 1 A 149 149 ALA CA C 149 54.466 54.683 -0.217 1 1 1671 . 11 1 1 A 149 149 ALA CB C 149 19.111 18.737 0.374 1 1 1672 . 11 1 1 A 149 149 ALA N N 149 127.741 128.371 -0.630 1 1 1673 . 11 1 1 A 150 150 THR H H 150 8.200 7.558 0.642 1 1 1674 . 11 1 1 A 150 150 THR HA H 150 4.393 4.182 0.211 1 1 1679 . 11 1 1 A 150 150 THR C C 150 174.554 173.644 0.910 1 1 1680 . 11 1 1 A 150 150 THR CA C 150 62.312 62.616 -0.304 1 1 1681 . 11 1 1 A 150 150 THR CB C 150 69.694 68.923 0.771 1 1 1683 . 11 1 1 A 150 150 THR N N 150 104.453 107.458 -3.005 1 1 1684 . 11 1 1 A 151 151 ASN H H 151 7.984 7.668 0.316 1 1 1685 . 11 1 1 A 151 151 ASN HA H 151 4.947 5.348 -0.401 1 1 1690 . 11 1 1 A 151 151 ASN C C 151 174.554 173.322 1.232 1 1 1691 . 11 1 1 A 151 151 ASN CA C 151 51.135 51.342 -0.207 1 1 1692 . 11 1 1 A 151 151 ASN CB C 151 39.344 42.288 -2.944 1 1 1693 . 11 1 1 A 151 151 ASN N N 151 123.487 120.329 3.158 1 1 1695 . 11 1 1 A 152 152 HIS H H 152 8.160 8.254 -0.094 1 1 1696 . 11 1 1 A 152 152 HIS HA H 152 4.731 5.119 -0.388 1 1 1700 . 11 1 1 A 152 152 HIS C C 152 174.381 174.387 -0.006 1 1 1701 . 11 1 1 A 152 152 HIS CA C 152 54.854 54.103 0.751 1 1 1702 . 11 1 1 A 152 152 HIS CB C 152 31.415 30.893 0.522 1 1 1703 . 11 1 1 A 152 152 HIS N N 152 116.139 116.412 -0.273 1 1 1704 . 11 1 1 A 153 153 PRO HA H 153 4.335 4.499 -0.164 1 1 1709 . 11 1 1 A 153 153 PRO C C 153 173.894 176.218 -2.324 1 1 1710 . 11 1 1 A 153 153 PRO CA C 153 61.491 62.209 -0.718 1 1 1711 . 11 1 1 A 153 153 PRO CB C 153 32.782 32.585 0.197 1 1 1714 . 11 1 1 A 154 154 ASN H H 154 9.511 8.629 0.882 1 1 1715 . 11 1 1 A 154 154 ASN HA H 154 4.306 4.940 -0.634 1 1 1720 . 11 1 1 A 154 154 ASN C C 154 176.568 176.335 0.233 1 1 1721 . 11 1 1 A 154 154 ASN CA C 154 54.656 52.840 1.816 1 1 1722 . 11 1 1 A 154 154 ASN CB C 154 39.071 39.642 -0.571 1 1 1723 . 11 1 1 A 154 154 ASN N N 154 118.718 119.680 -0.962 1 1 1725 . 11 1 1 A 155 155 TYR H H 155 8.691 8.622 0.069 1 1 1726 . 11 1 1 A 155 155 TYR HA H 155 4.364 4.240 0.124 1 1 1731 . 11 1 1 A 155 155 TYR C C 155 176.256 177.059 -0.803 1 1 1732 . 11 1 1 A 155 155 TYR CA C 155 59.304 58.962 0.342 1 1 1733 . 11 1 1 A 155 155 TYR CB C 155 39.344 38.361 0.983 1 1 1734 . 11 1 1 A 155 155 TYR N N 155 125.421 125.926 -0.505 1 1 1735 . 11 1 1 A 156 156 GLU H H 156 8.200 7.946 0.254 1 1 1736 . 11 1 1 A 156 156 GLU HA H 156 4.415 4.040 0.375 1 1 1741 . 11 1 1 A 156 156 GLU C C 156 178.583 179.148 -0.565 1 1 1742 . 11 1 1 A 156 156 GLU CA C 156 58.757 58.704 0.053 1 1 1743 . 11 1 1 A 156 156 GLU CB C 156 30.868 29.003 1.865 1 1 1745 . 11 1 1 A 156 156 GLU N N 156 119.878 122.539 -2.661 1 1 1746 . 11 1 1 A 157 157 LYS H H 157 8.718 7.523 1.195 1 1 1747 . 11 1 1 A 157 157 LYS HA H 157 4.095 3.974 0.121 1 1 1756 . 11 1 1 A 157 157 LYS C C 157 176.152 175.397 0.755 1 1 1757 . 11 1 1 A 157 157 LYS CA C 157 60.398 61.264 -0.866 1 1 1758 . 11 1 1 A 157 157 LYS CB C 157 30.595 30.844 -0.249 1 1 1762 . 11 1 1 A 157 157 LYS N N 157 121.167 119.670 1.497 1 1 1763 . 11 1 1 A 158 158 PRO HA H 158 3.116 3.758 -0.642 1 1 1770 . 11 1 1 A 158 158 PRO C C 158 177.853 179.336 -1.483 1 1 1771 . 11 1 1 A 158 158 PRO CA C 158 65.319 65.029 0.290 1 1 1772 . 11 1 1 A 158 158 PRO CB C 158 30.595 30.469 0.126 1 1 1775 . 11 1 1 A 159 159 ILE H H 159 6.215 7.036 -0.821 1 1 1776 . 11 1 1 A 159 159 ILE HA H 159 3.594 3.892 -0.298 1 1 1786 . 11 1 1 A 159 159 ILE C C 159 177.610 177.836 -0.226 1 1 1787 . 11 1 1 A 159 159 ILE CA C 159 62.312 64.324 -2.012 1 1 1788 . 11 1 1 A 159 159 ILE CB C 159 35.516 37.934 -2.418 1 1 1792 . 11 1 1 A 159 159 ILE N N 159 113.948 116.498 -2.550 1 1 1793 . 11 1 1 A 160 160 GLU H H 160 7.572 8.581 -1.009 1 1 1794 . 11 1 1 A 160 160 GLU HA H 160 3.876 3.980 -0.104 1 1 1799 . 11 1 1 A 160 160 GLU C C 160 179.277 179.549 -0.272 1 1 1800 . 11 1 1 A 160 160 GLU CA C 160 59.304 59.170 0.134 1 1 1801 . 11 1 1 A 160 160 GLU CB C 160 29.774 29.526 0.248 1 1 1803 . 11 1 1 A 160 160 GLU N N 160 119.104 120.765 -1.661 1 1 1804 . 11 1 1 A 161 161 ALA H H 161 7.902 7.854 0.048 1 1 1805 . 11 1 1 A 161 161 ALA HA H 161 4.137 4.171 -0.034 1 1 1809 . 11 1 1 A 161 161 ALA C C 161 179.485 180.026 -0.541 1 1 1810 . 11 1 1 A 161 161 ALA CA C 161 54.656 54.938 -0.282 1 1 1811 . 11 1 1 A 161 161 ALA CB C 161 18.017 18.165 -0.148 1 1 1812 . 11 1 1 A 161 161 ALA N N 161 120.393 123.432 -3.039 1 1 1813 . 11 1 1 A 162 162 ALA H H 162 7.734 7.867 -0.133 1 1 1814 . 11 1 1 A 162 162 ALA HA H 162 3.950 4.103 -0.153 1 1 1818 . 11 1 1 A 162 162 ALA C C 162 179.485 179.605 -0.120 1 1 1819 . 11 1 1 A 162 162 ALA CA C 162 54.656 55.188 -0.532 1 1 1820 . 11 1 1 A 162 162 ALA CB C 162 19.111 18.093 1.018 1 1 1821 . 11 1 1 A 162 162 ALA N N 162 118.202 121.045 -2.843 1 1 1822 . 11 1 1 A 163 163 LYS H H 163 8.760 8.533 0.227 1 1 1823 . 11 1 1 A 163 163 LYS HA H 163 3.842 4.000 -0.158 1 1 1832 . 11 1 1 A 163 163 LYS C C 163 178.201 179.402 -1.201 1 1 1833 . 11 1 1 A 163 163 LYS CA C 163 59.578 59.316 0.262 1 1 1834 . 11 1 1 A 163 163 LYS CB C 163 32.782 32.259 0.523 1 1 1838 . 11 1 1 A 163 163 LYS N N 163 118.202 117.229 0.973 1 1 1839 . 11 1 1 A 164 164 ALA H H 164 7.216 8.322 -1.106 1 1 1840 . 11 1 1 A 164 164 ALA HA H 164 4.215 4.090 0.125 1 1 1844 . 11 1 1 A 164 164 ALA C C 164 178.339 179.186 -0.847 1 1 1845 . 11 1 1 A 164 164 ALA CA C 164 53.836 54.708 -0.872 1 1 1846 . 11 1 1 A 164 164 ALA CB C 164 18.291 18.719 -0.428 1 1 1847 . 11 1 1 A 164 164 ALA N N 164 117.557 121.343 -3.786 1 1 1848 . 11 1 1 A 165 165 LEU H H 165 7.503 7.572 -0.069 1 1 1849 . 11 1 1 A 165 165 LEU HA H 165 4.432 4.249 0.183 1 1 1859 . 11 1 1 A 165 165 LEU C C 165 177.714 178.825 -1.111 1 1 1860 . 11 1 1 A 165 165 LEU CA C 165 54.929 56.775 -1.846 1 1 1861 . 11 1 1 A 165 165 LEU CB C 165 44.256 42.710 1.546 1 1 1865 . 11 1 1 A 165 165 LEU N N 165 115.753 117.974 -2.221 1 1 1866 . 11 1 1 A 166 166 VAL H H 166 7.337 8.178 -0.841 1 1 1867 . 11 1 1 A 166 166 VAL HA H 166 4.103 3.652 0.451 1 1 1875 . 11 1 1 A 166 166 VAL C C 166 175.040 178.064 -3.024 1 1 1876 . 11 1 1 A 166 166 VAL CA C 166 62.859 66.644 -3.785 1 1 1877 . 11 1 1 A 166 166 VAL CB C 166 32.509 31.779 0.730 1 1 1880 . 11 1 1 A 166 166 VAL N N 166 118.589 118.646 -0.057 1 1 1 . 12 1 1 A 2 2 ALA HA H 2 3.876 4.158 -0.282 1 1 5 . 12 1 1 A 2 2 ALA C C 2 172.590 177.135 -4.545 1 1 6 . 12 1 1 A 2 2 ALA CA C 2 51.922 53.069 -1.147 1 1 7 . 12 1 1 A 2 2 ALA CB C 2 18.924 19.122 -0.198 1 1 8 . 12 1 1 A 3 3 GLU H H 3 8.262 8.480 -0.218 1 1 9 . 12 1 1 A 3 3 GLU HA H 3 4.641 5.070 -0.429 1 1 14 . 12 1 1 A 3 3 GLU C C 3 175.157 175.532 -0.375 1 1 15 . 12 1 1 A 3 3 GLU CA C 3 55.476 54.841 0.635 1 1 16 . 12 1 1 A 3 3 GLU CB C 3 31.142 34.094 -2.952 1 1 18 . 12 1 1 A 3 3 GLU N N 3 121.167 119.878 1.289 1 1 19 . 12 1 1 A 4 4 ILE H H 4 9.053 8.445 0.608 1 1 20 . 12 1 1 A 4 4 ILE HA H 4 5.361 5.038 0.323 1 1 30 . 12 1 1 A 4 4 ILE C C 4 175.817 174.729 1.088 1 1 31 . 12 1 1 A 4 4 ILE CA C 4 59.304 59.034 0.270 1 1 32 . 12 1 1 A 4 4 ILE CB C 4 42.079 42.779 -0.700 1 1 36 . 12 1 1 A 4 4 ILE N N 4 124.776 117.657 7.119 1 1 37 . 12 1 1 A 5 5 THR H H 5 8.977 8.579 0.398 1 1 38 . 12 1 1 A 5 5 THR HA H 5 5.141 5.465 -0.324 1 1 43 . 12 1 1 A 5 5 THR C C 5 173.483 173.275 0.208 1 1 44 . 12 1 1 A 5 5 THR CA C 5 59.304 61.014 -1.710 1 1 45 . 12 1 1 A 5 5 THR CB C 5 73.249 71.937 1.312 1 1 47 . 12 1 1 A 5 5 THR N N 5 112.659 115.749 -3.090 1 1 48 . 12 1 1 A 6 6 PHE H H 6 9.173 9.350 -0.177 1 1 49 . 12 1 1 A 6 6 PHE HA H 6 4.866 4.955 -0.089 1 1 53 . 12 1 1 A 6 6 PHE C C 6 175.591 174.737 0.854 1 1 54 . 12 1 1 A 6 6 PHE CA C 6 58.054 57.416 0.638 1 1 55 . 12 1 1 A 6 6 PHE CB C 6 42.625 42.536 0.089 1 1 56 . 12 1 1 A 6 6 PHE N N 6 119.362 125.154 -5.792 1 1 57 . 12 1 1 A 7 7 LYS H H 7 11.130 9.459 1.671 1 1 58 . 12 1 1 A 7 7 LYS HA H 7 3.567 3.754 -0.187 1 1 67 . 12 1 1 A 7 7 LYS C C 7 177.661 176.775 0.886 1 1 68 . 12 1 1 A 7 7 LYS CA C 7 57.390 57.107 0.283 1 1 69 . 12 1 1 A 7 7 LYS CB C 7 29.222 29.781 -0.559 1 1 73 . 12 1 1 A 7 7 LYS N N 7 134.058 128.516 5.542 1 1 74 . 12 1 1 A 8 8 GLY H H 8 8.965 8.783 0.182 1 1 75 . 12 1 1 A 8 8 GLY HA2 H 8 4.244 3.835 0.409 1 1 76 . 12 1 1 A 8 8 GLY HA3 H 8 3.528 3.841 -0.313 1 1 77 . 12 1 1 A 8 8 GLY C C 8 173.822 174.146 -0.324 1 1 78 . 12 1 1 A 8 8 GLY CA C 8 45.360 45.635 -0.275 1 1 79 . 12 1 1 A 8 8 GLY N N 8 104.280 104.867 -0.587 1 1 80 . 12 1 1 A 9 9 GLY H H 9 7.942 8.248 -0.306 1 1 81 . 12 1 1 A 9 9 GLY HA2 H 9 4.815 4.227 0.588 1 1 82 . 12 1 1 A 9 9 GLY HA3 H 9 3.715 4.254 -0.539 1 1 83 . 12 1 1 A 9 9 GLY C C 9 171.262 173.201 -1.939 1 1 84 . 12 1 1 A 9 9 GLY CA C 9 43.172 44.795 -1.623 1 1 85 . 12 1 1 A 9 9 GLY N N 9 109.823 108.016 1.807 1 1 86 . 12 1 1 A 10 10 PRO HA H 10 4.640 4.673 -0.033 1 1 93 . 12 1 1 A 10 10 PRO C C 10 177.097 176.377 0.720 1 1 94 . 12 1 1 A 10 10 PRO CA C 10 63.952 63.118 0.834 1 1 95 . 12 1 1 A 10 10 PRO CB C 10 32.509 32.362 0.147 1 1 98 . 12 1 1 A 11 11 VAL H H 11 7.770 8.622 -0.852 1 1 99 . 12 1 1 A 11 11 VAL HA H 11 4.632 4.910 -0.278 1 1 107 . 12 1 1 A 11 11 VAL C C 11 174.462 174.194 0.268 1 1 108 . 12 1 1 A 11 11 VAL CA C 11 59.304 59.496 -0.192 1 1 109 . 12 1 1 A 11 11 VAL CB C 11 35.516 36.056 -0.540 1 1 112 . 12 1 1 A 11 11 VAL N N 11 115.495 116.761 -1.266 1 1 113 . 12 1 1 A 12 12 THR H H 12 10.773 8.752 2.021 1 1 114 . 12 1 1 A 12 12 THR HA H 12 4.425 4.752 -0.327 1 1 119 . 12 1 1 A 12 12 THR C C 12 173.505 173.761 -0.256 1 1 120 . 12 1 1 A 12 12 THR CA C 12 62.312 61.197 1.115 1 1 121 . 12 1 1 A 12 12 THR CB C 12 69.694 71.137 -1.443 1 1 123 . 12 1 1 A 12 12 THR N N 12 121.940 118.171 3.769 1 1 124 . 12 1 1 A 13 13 LEU H H 13 8.524 8.658 -0.134 1 1 125 . 12 1 1 A 13 13 LEU HA H 13 5.132 4.932 0.200 1 1 135 . 12 1 1 A 13 13 LEU C C 13 177.285 176.439 0.846 1 1 136 . 12 1 1 A 13 13 LEU CA C 13 53.289 53.214 0.075 1 1 137 . 12 1 1 A 13 13 LEU CB C 13 42.352 43.924 -1.572 1 1 141 . 12 1 1 A 13 13 LEU N N 13 125.550 123.565 1.985 1 1 142 . 12 1 1 A 14 14 VAL H H 14 8.962 8.878 0.084 1 1 143 . 12 1 1 A 14 14 VAL HA H 14 3.859 3.594 0.265 1 1 151 . 12 1 1 A 14 14 VAL C C 14 174.604 177.884 -3.280 1 1 152 . 12 1 1 A 14 14 VAL CA C 14 62.312 66.145 -3.833 1 1 153 . 12 1 1 A 14 14 VAL CB C 14 32.509 31.808 0.701 1 1 156 . 12 1 1 A 14 14 VAL N N 14 126.968 122.505 4.463 1 1 157 . 12 1 1 A 15 15 GLY H H 15 7.838 7.944 -0.106 1 1 158 . 12 1 1 A 15 15 GLY HA2 H 15 5.132 3.903 1.229 1 1 159 . 12 1 1 A 15 15 GLY HA3 H 15 3.730 3.919 -0.189 1 1 160 . 12 1 1 A 15 15 GLY C C 15 174.542 174.224 0.318 1 1 161 . 12 1 1 A 15 15 GLY CA C 15 43.446 45.490 -2.044 1 1 162 . 12 1 1 A 15 15 GLY N N 15 110.596 107.591 3.005 1 1 163 . 12 1 1 A 16 16 GLN H H 16 8.247 7.977 0.270 1 1 164 . 12 1 1 A 16 16 GLN HA H 16 4.347 3.923 0.424 1 1 171 . 12 1 1 A 16 16 GLN C C 16 174.876 174.734 0.142 1 1 172 . 12 1 1 A 16 16 GLN CA C 16 54.656 57.836 -3.180 1 1 173 . 12 1 1 A 16 16 GLN CB C 16 30.321 27.179 3.142 1 1 175 . 12 1 1 A 16 16 GLN N N 16 120.522 114.344 6.178 1 1 177 . 12 1 1 A 17 17 GLU H H 17 8.149 8.297 -0.148 1 1 178 . 12 1 1 A 17 17 GLU HA H 17 3.938 5.145 -1.207 1 1 183 . 12 1 1 A 17 17 GLU C C 17 176.607 175.406 1.201 1 1 184 . 12 1 1 A 17 17 GLU CA C 17 57.117 54.606 2.511 1 1 185 . 12 1 1 A 17 17 GLU CB C 17 30.321 32.974 -2.653 1 1 187 . 12 1 1 A 17 17 GLU N N 17 123.616 120.262 3.354 1 1 188 . 12 1 1 A 18 18 VAL H H 18 8.605 9.199 -0.594 1 1 189 . 12 1 1 A 18 18 VAL HA H 18 4.047 4.620 -0.573 1 1 197 . 12 1 1 A 18 18 VAL C C 18 174.386 175.222 -0.836 1 1 198 . 12 1 1 A 18 18 VAL CA C 18 61.765 60.672 1.093 1 1 199 . 12 1 1 A 18 18 VAL CB C 18 32.782 33.129 -0.347 1 1 202 . 12 1 1 A 18 18 VAL N N 18 125.936 119.253 6.683 1 1 203 . 12 1 1 A 19 19 LYS H H 19 8.461 8.908 -0.447 1 1 204 . 12 1 1 A 19 19 LYS HA H 19 4.624 4.992 -0.368 1 1 213 . 12 1 1 A 19 19 LYS C C 19 176.457 174.815 1.642 1 1 214 . 12 1 1 A 19 19 LYS CA C 19 53.562 54.573 -1.011 1 1 215 . 12 1 1 A 19 19 LYS CB C 19 34.423 35.957 -1.534 1 1 219 . 12 1 1 A 19 19 LYS N N 19 123.874 119.986 3.888 1 1 220 . 12 1 1 A 20 20 VAL H H 20 8.349 8.477 -0.128 1 1 221 . 12 1 1 A 20 20 VAL HA H 20 3.421 4.017 -0.596 1 1 229 . 12 1 1 A 20 20 VAL C C 20 177.624 176.907 0.717 1 1 230 . 12 1 1 A 20 20 VAL CA C 20 65.593 63.455 2.138 1 1 231 . 12 1 1 A 20 20 VAL CB C 20 31.415 31.517 -0.102 1 1 234 . 12 1 1 A 20 20 VAL N N 20 120.393 122.341 -1.948 1 1 235 . 12 1 1 A 21 21 GLY H H 21 9.338 9.386 -0.048 1 1 236 . 12 1 1 A 21 21 GLY HA2 H 21 4.566 4.034 0.532 1 1 237 . 12 1 1 A 21 21 GLY HA3 H 21 3.536 4.040 -0.504 1 1 238 . 12 1 1 A 21 21 GLY C C 21 174.160 174.379 -0.219 1 1 239 . 12 1 1 A 21 21 GLY CA C 21 44.539 45.299 -0.760 1 1 240 . 12 1 1 A 21 21 GLY N N 21 117.429 117.855 -0.426 1 1 241 . 12 1 1 A 22 22 ASP H H 22 8.222 8.095 0.127 1 1 242 . 12 1 1 A 22 22 ASP HA H 22 4.650 4.639 0.011 1 1 245 . 12 1 1 A 22 22 ASP C C 22 176.231 175.700 0.531 1 1 246 . 12 1 1 A 22 22 ASP CA C 22 54.382 54.057 0.325 1 1 247 . 12 1 1 A 22 22 ASP CB C 22 40.985 41.237 -0.252 1 1 248 . 12 1 1 A 22 22 ASP N N 22 121.811 121.555 0.256 1 1 249 . 12 1 1 A 23 23 GLN H H 23 8.598 7.981 0.617 1 1 250 . 12 1 1 A 23 23 GLN HA H 23 4.224 4.294 -0.070 1 1 257 . 12 1 1 A 23 23 GLN C C 23 175.892 174.422 1.470 1 1 258 . 12 1 1 A 23 23 GLN CA C 23 55.203 58.153 -2.950 1 1 259 . 12 1 1 A 23 23 GLN CB C 23 28.954 27.894 1.060 1 1 261 . 12 1 1 A 23 23 GLN N N 23 119.491 116.887 2.604 1 1 263 . 12 1 1 A 24 24 ALA H H 24 8.664 8.420 0.244 1 1 264 . 12 1 1 A 24 24 ALA HA H 24 4.030 4.469 -0.439 1 1 268 . 12 1 1 A 24 24 ALA C C 24 174.386 175.456 -1.070 1 1 269 . 12 1 1 A 24 24 ALA CA C 24 51.101 48.909 2.192 1 1 270 . 12 1 1 A 24 24 ALA CB C 24 19.111 20.595 -1.484 1 1 271 . 12 1 1 A 24 24 ALA N N 24 129.804 123.869 5.935 1 1 272 . 12 1 1 A 25 25 PRO HA H 25 4.422 4.633 -0.211 1 1 279 . 12 1 1 A 25 25 PRO C C 25 173.596 176.398 -2.802 1 1 280 . 12 1 1 A 25 25 PRO CA C 25 61.765 62.721 -0.956 1 1 281 . 12 1 1 A 25 25 PRO CB C 25 32.509 32.158 0.351 1 1 284 . 12 1 1 A 26 26 ASP H H 26 7.546 8.751 -1.205 1 1 285 . 12 1 1 A 26 26 ASP HA H 26 4.411 4.847 -0.436 1 1 288 . 12 1 1 A 26 26 ASP C C 26 175.591 174.684 0.907 1 1 289 . 12 1 1 A 26 26 ASP CA C 26 54.656 53.067 1.589 1 1 290 . 12 1 1 A 26 26 ASP CB C 26 42.625 39.263 3.362 1 1 291 . 12 1 1 A 26 26 ASP N N 26 114.979 123.018 -8.039 1 1 292 . 12 1 1 A 27 27 PHE H H 27 7.379 8.689 -1.310 1 1 293 . 12 1 1 A 27 27 PHE HA H 27 4.659 4.897 -0.238 1 1 295 . 12 1 1 A 27 27 PHE C C 27 173.407 176.020 -2.613 1 1 296 . 12 1 1 A 27 27 PHE CA C 27 56.570 57.730 -1.160 1 1 297 . 12 1 1 A 27 27 PHE CB C 27 39.891 41.353 -1.462 1 1 298 . 12 1 1 A 27 27 PHE N N 27 113.561 124.198 -10.637 1 1 299 . 12 1 1 A 28 28 THR H H 28 8.540 8.639 -0.099 1 1 300 . 12 1 1 A 28 28 THR HA H 28 4.936 4.582 0.354 1 1 305 . 12 1 1 A 28 28 THR C C 28 173.443 174.590 -1.147 1 1 306 . 12 1 1 A 28 28 THR CA C 28 62.889 62.161 0.728 1 1 307 . 12 1 1 A 28 28 THR CB C 28 72.155 70.116 2.039 1 1 309 . 12 1 1 A 28 28 THR N N 28 114.593 113.895 0.698 1 1 310 . 12 1 1 A 29 29 VAL H H 29 9.120 8.631 0.489 1 1 311 . 12 1 1 A 29 29 VAL HA H 29 4.863 4.792 0.071 1 1 319 . 12 1 1 A 29 29 VAL C C 29 173.558 174.043 -0.485 1 1 320 . 12 1 1 A 29 29 VAL CA C 29 59.527 59.589 -0.062 1 1 321 . 12 1 1 A 29 29 VAL CB C 29 35.243 35.559 -0.316 1 1 324 . 12 1 1 A 29 29 VAL N N 29 119.233 115.778 3.455 1 1 325 . 12 1 1 A 30 30 LEU H H 30 8.565 8.824 -0.259 1 1 326 . 12 1 1 A 30 30 LEU HA H 30 5.615 4.497 1.118 1 1 336 . 12 1 1 A 30 30 LEU C C 30 180.310 175.460 4.850 1 1 337 . 12 1 1 A 30 30 LEU CA C 30 53.562 55.468 -1.906 1 1 338 . 12 1 1 A 30 30 LEU CB C 30 47.547 42.805 4.742 1 1 342 . 12 1 1 A 30 30 LEU N N 30 117.429 127.870 -10.441 1 1 343 . 12 1 1 A 31 31 THR H H 31 9.587 8.392 1.195 1 1 344 . 12 1 1 A 31 31 THR HA H 31 4.741 4.879 -0.138 1 1 349 . 12 1 1 A 31 31 THR C C 31 176.457 175.471 0.986 1 1 350 . 12 1 1 A 31 31 THR CA C 31 60.632 59.324 1.308 1 1 351 . 12 1 1 A 31 31 THR CB C 31 71.451 71.935 -0.484 1 1 353 . 12 1 1 A 31 31 THR N N 31 114.721 115.959 -1.238 1 1 354 . 12 1 1 A 32 32 ASN H H 32 9.812 8.985 0.827 1 1 355 . 12 1 1 A 32 32 ASN HA H 32 4.352 4.343 0.009 1 1 358 . 12 1 1 A 32 32 ASN C C 32 175.252 176.265 -1.013 1 1 359 . 12 1 1 A 32 32 ASN CA C 32 55.476 55.978 -0.502 1 1 360 . 12 1 1 A 32 32 ASN CB C 32 38.524 38.330 0.194 1 1 361 . 12 1 1 A 32 32 ASN N N 32 118.460 120.366 -1.906 1 1 362 . 12 1 1 A 33 33 SER H H 33 7.782 7.771 0.011 1 1 363 . 12 1 1 A 33 33 SER HA H 33 4.562 4.650 -0.088 1 1 366 . 12 1 1 A 33 33 SER C C 33 173.822 173.095 0.727 1 1 367 . 12 1 1 A 33 33 SER CA C 33 57.390 57.708 -0.318 1 1 368 . 12 1 1 A 33 33 SER CB C 33 62.859 63.220 -0.361 1 1 369 . 12 1 1 A 33 33 SER N N 33 110.725 111.862 -1.137 1 1 370 . 12 1 1 A 34 34 LEU H H 34 8.342 8.138 0.204 1 1 371 . 12 1 1 A 34 34 LEU HA H 34 3.686 3.934 -0.248 1 1 381 . 12 1 1 A 34 34 LEU C C 34 175.516 176.514 -0.998 1 1 382 . 12 1 1 A 34 34 LEU CA C 34 57.117 55.975 1.142 1 1 383 . 12 1 1 A 34 34 LEU CB C 34 37.430 39.781 -2.351 1 1 387 . 12 1 1 A 34 34 LEU N N 34 116.913 117.859 -0.946 1 1 388 . 12 1 1 A 35 35 GLU H H 35 7.538 8.512 -0.974 1 1 389 . 12 1 1 A 35 35 GLU HA H 35 4.546 4.376 0.170 1 1 394 . 12 1 1 A 35 35 GLU C C 35 176.005 176.446 -0.441 1 1 395 . 12 1 1 A 35 35 GLU CA C 35 54.929 56.325 -1.396 1 1 396 . 12 1 1 A 35 35 GLU CB C 35 30.868 29.968 0.900 1 1 398 . 12 1 1 A 35 35 GLU N N 35 117.429 117.691 -0.262 1 1 399 . 12 1 1 A 36 36 GLU H H 36 8.681 8.154 0.527 1 1 400 . 12 1 1 A 36 36 GLU HA H 36 4.740 4.113 0.627 1 1 405 . 12 1 1 A 36 36 GLU C C 36 176.833 176.316 0.517 1 1 406 . 12 1 1 A 36 36 GLU CA C 36 56.923 57.198 -0.275 1 1 407 . 12 1 1 A 36 36 GLU CB C 36 30.868 27.284 3.584 1 1 409 . 12 1 1 A 36 36 GLU N N 36 121.296 118.678 2.618 1 1 410 . 12 1 1 A 37 37 LYS H H 37 9.122 7.829 1.293 1 1 411 . 12 1 1 A 37 37 LYS HA H 37 4.639 4.179 0.460 1 1 420 . 12 1 1 A 37 37 LYS C C 37 173.671 176.379 -2.708 1 1 421 . 12 1 1 A 37 37 LYS CA C 37 55.476 57.138 -1.662 1 1 422 . 12 1 1 A 37 37 LYS CB C 37 35.243 33.236 2.007 1 1 426 . 12 1 1 A 37 37 LYS N N 37 125.292 122.918 2.374 1 1 427 . 12 1 1 A 38 38 SER H H 38 9.337 8.882 0.455 1 1 428 . 12 1 1 A 38 38 SER HA H 38 5.310 4.423 0.887 1 1 431 . 12 1 1 A 38 38 SER C C 38 175.102 175.509 -0.407 1 1 432 . 12 1 1 A 38 38 SER CA C 38 56.296 59.313 -3.017 1 1 433 . 12 1 1 A 38 38 SER CB C 38 67.233 63.489 3.744 1 1 434 . 12 1 1 A 38 38 SER N N 38 121.811 122.784 -0.973 1 1 435 . 12 1 1 A 39 39 LEU H H 39 7.023 8.957 -1.934 1 1 436 . 12 1 1 A 39 39 LEU HA H 39 3.872 4.019 -0.147 1 1 446 . 12 1 1 A 39 39 LEU C C 39 179.845 178.418 1.427 1 1 447 . 12 1 1 A 39 39 LEU CA C 39 58.210 58.561 -0.351 1 1 448 . 12 1 1 A 39 39 LEU CB C 39 40.711 41.562 -0.851 1 1 452 . 12 1 1 A 39 39 LEU N N 39 121.811 127.964 -6.153 1 1 453 . 12 1 1 A 40 40 ALA H H 40 8.447 8.466 -0.019 1 1 454 . 12 1 1 A 40 40 ALA HA H 40 3.890 4.094 -0.204 1 1 458 . 12 1 1 A 40 40 ALA C C 40 179.995 179.990 0.005 1 1 459 . 12 1 1 A 40 40 ALA CA C 40 55.203 54.547 0.656 1 1 460 . 12 1 1 A 40 40 ALA CB C 40 18.291 18.407 -0.116 1 1 461 . 12 1 1 A 40 40 ALA N N 40 119.362 119.619 -0.257 1 1 462 . 12 1 1 A 41 41 ASP H H 41 7.517 8.394 -0.877 1 1 463 . 12 1 1 A 41 41 ASP HA H 41 4.469 4.426 0.043 1 1 466 . 12 1 1 A 41 41 ASP C C 41 176.720 178.281 -1.561 1 1 467 . 12 1 1 A 41 41 ASP CA C 41 56.296 57.097 -0.801 1 1 468 . 12 1 1 A 41 41 ASP CB C 41 42.079 41.620 0.459 1 1 469 . 12 1 1 A 41 41 ASP N N 41 114.850 119.032 -4.182 1 1 470 . 12 1 1 A 42 42 MET H H 42 7.989 8.222 -0.233 1 1 471 . 12 1 1 A 42 42 MET HA H 42 4.336 4.455 -0.119 1 1 479 . 12 1 1 A 42 42 MET C C 42 175.440 177.189 -1.749 1 1 480 . 12 1 1 A 42 42 MET CA C 42 56.843 57.984 -1.141 1 1 481 . 12 1 1 A 42 42 MET CB C 42 31.962 31.999 -0.037 1 1 484 . 12 1 1 A 42 42 MET N N 42 118.847 115.940 2.907 1 1 485 . 12 1 1 A 43 43 LYS H H 43 6.901 7.432 -0.531 1 1 486 . 12 1 1 A 43 43 LYS HA H 43 4.265 4.232 0.033 1 1 494 . 12 1 1 A 43 43 LYS C C 43 177.435 177.454 -0.019 1 1 495 . 12 1 1 A 43 43 LYS CA C 43 57.664 58.566 -0.902 1 1 496 . 12 1 1 A 43 43 LYS CB C 43 33.329 32.455 0.874 1 1 500 . 12 1 1 A 43 43 LYS N N 43 116.913 119.867 -2.954 1 1 501 . 12 1 1 A 44 44 GLY H H 44 9.268 9.068 0.200 1 1 502 . 12 1 1 A 44 44 GLY HA2 H 44 3.692 4.040 -0.348 1 1 503 . 12 1 1 A 44 44 GLY HA3 H 44 4.596 4.044 0.552 1 1 504 . 12 1 1 A 44 44 GLY C C 44 173.671 173.423 0.248 1 1 505 . 12 1 1 A 44 44 GLY CA C 44 44.813 45.356 -0.543 1 1 506 . 12 1 1 A 44 44 GLY N N 44 111.112 112.754 -1.642 1 1 507 . 12 1 1 A 45 45 LYS H H 45 7.516 7.824 -0.308 1 1 508 . 12 1 1 A 45 45 LYS HA H 45 4.754 4.835 -0.081 1 1 515 . 12 1 1 A 45 45 LYS C C 45 175.214 174.927 0.287 1 1 516 . 12 1 1 A 45 45 LYS CA C 45 54.820 54.933 -0.113 1 1 517 . 12 1 1 A 45 45 LYS CB C 45 36.883 35.949 0.934 1 1 521 . 12 1 1 A 45 45 LYS N N 45 117.944 120.899 -2.955 1 1 522 . 12 1 1 A 46 46 VAL H H 46 8.887 8.581 0.306 1 1 523 . 12 1 1 A 46 46 VAL HA H 46 3.950 4.221 -0.271 1 1 531 . 12 1 1 A 46 46 VAL C C 46 174.876 175.493 -0.617 1 1 532 . 12 1 1 A 46 46 VAL CA C 46 64.773 63.408 1.365 1 1 533 . 12 1 1 A 46 46 VAL CB C 46 31.962 32.089 -0.127 1 1 536 . 12 1 1 A 46 46 VAL N N 46 124.776 123.474 1.302 1 1 537 . 12 1 1 A 47 47 THR H H 47 8.956 8.991 -0.035 1 1 538 . 12 1 1 A 47 47 THR HA H 47 5.300 5.366 -0.066 1 1 543 . 12 1 1 A 47 47 THR C C 47 172.579 173.592 -1.013 1 1 544 . 12 1 1 A 47 47 THR CA C 47 62.312 61.398 0.914 1 1 545 . 12 1 1 A 47 47 THR CB C 47 73.249 72.138 1.111 1 1 547 . 12 1 1 A 47 47 THR N N 47 124.132 122.206 1.926 1 1 548 . 12 1 1 A 48 48 ILE H H 48 9.160 8.916 0.244 1 1 549 . 12 1 1 A 48 48 ILE HA H 48 4.740 4.976 -0.236 1 1 559 . 12 1 1 A 48 48 ILE C C 48 173.972 175.237 -1.265 1 1 560 . 12 1 1 A 48 48 ILE CA C 48 61.441 60.054 1.387 1 1 561 . 12 1 1 A 48 48 ILE CB C 48 40.438 41.899 -1.461 1 1 565 . 12 1 1 A 48 48 ILE N N 48 128.515 124.765 3.750 1 1 566 . 12 1 1 A 49 49 ILE H H 49 9.507 9.203 0.304 1 1 567 . 12 1 1 A 49 49 ILE HA H 49 4.883 5.186 -0.303 1 1 577 . 12 1 1 A 49 49 ILE C C 49 174.650 175.511 -0.861 1 1 578 . 12 1 1 A 49 49 ILE CA C 49 60.773 60.046 0.727 1 1 579 . 12 1 1 A 49 49 ILE CB C 49 41.532 42.178 -0.646 1 1 583 . 12 1 1 A 49 49 ILE N N 49 126.194 127.328 -1.134 1 1 584 . 12 1 1 A 50 50 SER H H 50 9.079 9.274 -0.195 1 1 585 . 12 1 1 A 50 50 SER HA H 50 5.138 5.688 -0.550 1 1 588 . 12 1 1 A 50 50 SER C C 50 172.692 173.811 -1.119 1 1 589 . 12 1 1 A 50 50 SER CA C 50 56.843 55.957 0.886 1 1 590 . 12 1 1 A 50 50 SER CB C 50 64.773 66.693 -1.920 1 1 591 . 12 1 1 A 50 50 SER N N 50 121.940 120.763 1.177 1 1 592 . 12 1 1 A 51 51 VAL H H 51 9.010 8.894 0.116 1 1 593 . 12 1 1 A 51 51 VAL HA H 51 4.873 5.076 -0.203 1 1 601 . 12 1 1 A 51 51 VAL CA C 51 61.595 60.949 0.646 1 1 602 . 12 1 1 A 51 51 VAL CB C 51 32.509 35.378 -2.869 1 1 605 . 12 1 1 A 51 51 VAL N N 51 128.128 121.120 7.008 1 1 606 . 12 1 1 A 52 52 ILE H H 52 8.182 8.604 -0.422 1 1 607 . 12 1 1 A 52 52 ILE HA H 52 4.862 4.816 0.046 1 1 616 . 12 1 1 A 52 52 ILE CA C 52 58.026 57.147 0.879 1 1 617 . 12 1 1 A 52 52 ILE CB C 52 43.172 40.263 2.909 1 1 621 . 12 1 1 A 52 52 ILE N N 52 124.776 123.429 1.347 1 1 622 . 12 1 1 A 53 53 PRO HA H 53 4.904 4.615 0.289 1 1 629 . 12 1 1 A 53 53 PRO CA C 53 65.560 64.595 0.965 1 1 630 . 12 1 1 A 53 53 PRO CB C 53 31.826 32.632 -0.806 1 1 633 . 12 1 1 A 54 54 SER H H 54 7.214 7.688 -0.474 1 1 634 . 12 1 1 A 54 54 SER HA H 54 5.100 4.900 0.200 1 1 637 . 12 1 1 A 54 54 SER CA C 54 57.417 57.684 -0.267 1 1 638 . 12 1 1 A 54 54 SER CB C 54 65.195 66.708 -1.513 1 1 639 . 12 1 1 A 54 54 SER N N 54 107.901 113.027 -5.126 1 1 640 . 12 1 1 A 55 55 ILE H H 55 7.330 8.481 -1.151 1 1 641 . 12 1 1 A 55 55 ILE HA H 55 5.075 4.063 1.012 1 1 651 . 12 1 1 A 55 55 ILE CA C 55 61.734 63.510 -1.776 1 1 652 . 12 1 1 A 55 55 ILE CB C 55 36.233 38.829 -2.596 1 1 656 . 12 1 1 A 56 56 ASP H H 56 8.699 7.773 0.926 1 1 657 . 12 1 1 A 56 56 ASP HA H 56 5.075 4.717 0.358 1 1 660 . 12 1 1 A 56 56 ASP CA C 56 54.407 55.873 -1.466 1 1 661 . 12 1 1 A 56 56 ASP CB C 56 42.832 41.785 1.047 1 1 662 . 12 1 1 A 56 56 ASP N N 56 121.940 121.281 0.659 1 1 663 . 12 1 1 A 57 57 THR H H 57 7.294 7.622 -0.328 1 1 664 . 12 1 1 A 57 57 THR HA H 57 4.323 4.314 0.009 1 1 669 . 12 1 1 A 57 57 THR C C 57 175.440 176.142 -0.702 1 1 670 . 12 1 1 A 57 57 THR CA C 57 61.765 61.236 0.529 1 1 671 . 12 1 1 A 57 57 THR CB C 57 69.421 70.929 -1.508 1 1 673 . 12 1 1 A 57 57 THR N N 57 108.921 110.772 -1.851 1 1 674 . 12 1 1 A 58 58 GLY H H 58 8.215 8.842 -0.627 1 1 675 . 12 1 1 A 58 58 GLY HA2 H 58 4.012 3.843 0.169 1 1 676 . 12 1 1 A 58 58 GLY HA3 H 58 4.012 3.844 0.168 1 1 677 . 12 1 1 A 58 58 GLY C C 58 173.520 176.254 -2.734 1 1 678 . 12 1 1 A 58 58 GLY CA C 58 45.360 47.058 -1.698 1 1 679 . 12 1 1 A 58 58 GLY N N 58 110.969 109.325 1.644 1 1 680 . 12 1 1 A 59 59 VAL H H 59 7.976 8.198 -0.222 1 1 681 . 12 1 1 A 59 59 VAL HA H 59 4.307 3.830 0.477 1 1 689 . 12 1 1 A 59 59 VAL C C 59 175.854 177.693 -1.839 1 1 690 . 12 1 1 A 59 59 VAL CA C 59 61.765 65.289 -3.524 1 1 691 . 12 1 1 A 59 59 VAL CB C 59 33.329 31.149 2.180 1 1 694 . 12 1 1 A 59 59 VAL N N 59 118.501 119.144 -0.643 1 1 696 . 12 1 1 A 61 61 ASP HA H 61 4.323 4.609 -0.286 1 1 697 . 12 1 1 A 61 61 ASP CA C 61 54.382 56.338 -1.956 1 1 698 . 12 1 1 A 61 61 ASP CB C 61 39.142 41.352 -2.210 1 1 699 . 12 1 1 A 62 62 ALA H H 62 8.663 8.037 0.626 1 1 700 . 12 1 1 A 62 62 ALA HA H 62 3.971 4.028 -0.057 1 1 704 . 12 1 1 A 62 62 ALA C C 62 180.485 177.818 2.667 1 1 705 . 12 1 1 A 62 62 ALA CA C 62 55.203 54.286 0.917 1 1 706 . 12 1 1 A 62 62 ALA CB C 62 18.838 18.521 0.317 1 1 707 . 12 1 1 A 63 63 GLN H H 63 8.550 7.554 0.996 1 1 708 . 12 1 1 A 63 63 GLN HA H 63 3.865 4.375 -0.510 1 1 715 . 12 1 1 A 63 63 GLN C C 63 178.527 177.473 1.054 1 1 716 . 12 1 1 A 63 63 GLN CA C 63 59.346 57.109 2.237 1 1 717 . 12 1 1 A 63 63 GLN CB C 63 28.635 31.548 -2.913 1 1 719 . 12 1 1 A 63 63 GLN N N 63 117.429 116.831 0.598 1 1 721 . 12 1 1 A 64 64 THR H H 64 8.121 8.003 0.118 1 1 722 . 12 1 1 A 64 64 THR HA H 64 3.624 3.868 -0.244 1 1 727 . 12 1 1 A 64 64 THR C C 64 178.527 176.498 2.029 1 1 728 . 12 1 1 A 64 64 THR CA C 64 66.686 67.447 -0.761 1 1 729 . 12 1 1 A 64 64 THR CB C 64 68.600 68.381 0.219 1 1 731 . 12 1 1 A 64 64 THR N N 64 118.460 116.229 2.231 1 1 732 . 12 1 1 A 65 65 ARG H H 65 7.530 8.260 -0.730 1 1 733 . 12 1 1 A 65 65 ARG HA H 65 3.904 3.917 -0.013 1 1 739 . 12 1 1 A 65 65 ARG CA C 65 59.507 59.898 -0.391 1 1 740 . 12 1 1 A 65 65 ARG CB C 65 29.637 30.081 -0.444 1 1 743 . 12 1 1 A 66 66 ARG H H 66 7.972 7.848 0.124 1 1 744 . 12 1 1 A 66 66 ARG HA H 66 4.056 4.008 0.048 1 1 751 . 12 1 1 A 66 66 ARG C C 66 177.624 178.403 -0.779 1 1 752 . 12 1 1 A 66 66 ARG CA C 66 59.031 59.208 -0.177 1 1 753 . 12 1 1 A 66 66 ARG CB C 66 29.228 29.857 -0.629 1 1 756 . 12 1 1 A 66 66 ARG N N 66 118.460 119.290 -0.830 1 1 757 . 12 1 1 A 67 67 PHE H H 67 7.673 8.183 -0.510 1 1 758 . 12 1 1 A 67 67 PHE HA H 67 4.260 4.133 0.127 1 1 763 . 12 1 1 A 67 67 PHE C C 67 176.043 177.382 -1.339 1 1 764 . 12 1 1 A 67 67 PHE CA C 67 60.945 61.167 -0.222 1 1 765 . 12 1 1 A 67 67 PHE CB C 67 39.071 39.032 0.039 1 1 766 . 12 1 1 A 67 67 PHE N N 67 119.362 120.666 -1.304 1 1 767 . 12 1 1 A 68 68 ASN H H 68 7.688 8.106 -0.418 1 1 768 . 12 1 1 A 68 68 ASN HA H 68 4.150 3.996 0.154 1 1 771 . 12 1 1 A 68 68 ASN C C 68 177.172 177.527 -0.355 1 1 772 . 12 1 1 A 68 68 ASN CA C 68 55.750 55.933 -0.183 1 1 773 . 12 1 1 A 68 68 ASN CB C 68 37.977 37.789 0.188 1 1 774 . 12 1 1 A 68 68 ASN N N 68 117.042 117.475 -0.433 1 1 775 . 12 1 1 A 69 69 GLU H H 69 8.185 8.616 -0.431 1 1 776 . 12 1 1 A 69 69 GLU HA H 69 3.848 3.991 -0.143 1 1 781 . 12 1 1 A 69 69 GLU C C 69 179.468 179.039 0.429 1 1 782 . 12 1 1 A 69 69 GLU CA C 69 59.577 59.485 0.092 1 1 783 . 12 1 1 A 69 69 GLU CB C 69 30.321 29.039 1.282 1 1 785 . 12 1 1 A 69 69 GLU N N 69 118.975 119.522 -0.547 1 1 786 . 12 1 1 A 70 70 GLU H H 70 8.671 8.430 0.241 1 1 787 . 12 1 1 A 70 70 GLU HA H 70 3.807 3.990 -0.183 1 1 792 . 12 1 1 A 70 70 GLU C C 70 179.468 179.025 0.443 1 1 793 . 12 1 1 A 70 70 GLU CA C 70 58.757 59.329 -0.572 1 1 794 . 12 1 1 A 70 70 GLU CB C 70 29.501 29.584 -0.083 1 1 796 . 12 1 1 A 70 70 GLU N N 70 118.975 118.154 0.821 1 1 797 . 12 1 1 A 71 71 ALA H H 71 8.418 8.147 0.271 1 1 798 . 12 1 1 A 71 71 ALA HA H 71 3.616 4.003 -0.387 1 1 802 . 12 1 1 A 71 71 ALA C C 71 178.226 179.716 -1.490 1 1 803 . 12 1 1 A 71 71 ALA CA C 71 54.656 54.956 -0.300 1 1 804 . 12 1 1 A 71 71 ALA CB C 71 18.017 17.743 0.274 1 1 805 . 12 1 1 A 71 71 ALA N N 71 122.069 123.334 -1.265 1 1 806 . 12 1 1 A 72 72 ALA H H 72 7.520 8.213 -0.693 1 1 807 . 12 1 1 A 72 72 ALA HA H 72 3.842 3.970 -0.128 1 1 811 . 12 1 1 A 72 72 ALA C C 72 179.280 179.048 0.232 1 1 812 . 12 1 1 A 72 72 ALA CA C 72 54.109 54.970 -0.861 1 1 813 . 12 1 1 A 72 72 ALA CB C 72 18.564 18.224 0.340 1 1 814 . 12 1 1 A 72 72 ALA N N 72 116.139 119.662 -3.523 1 1 815 . 12 1 1 A 73 73 LYS H H 73 7.302 7.488 -0.186 1 1 816 . 12 1 1 A 73 73 LYS HA H 73 4.129 4.110 0.019 1 1 825 . 12 1 1 A 73 73 LYS C C 73 177.661 179.265 -1.604 1 1 826 . 12 1 1 A 73 73 LYS CA C 73 57.116 58.277 -1.161 1 1 827 . 12 1 1 A 73 73 LYS CB C 73 32.782 32.054 0.728 1 1 831 . 12 1 1 A 73 73 LYS N N 73 114.850 117.080 -2.230 1 1 832 . 12 1 1 A 74 74 LEU H H 74 7.398 7.411 -0.013 1 1 833 . 12 1 1 A 74 74 LEU HA H 74 3.983 4.012 -0.029 1 1 843 . 12 1 1 A 74 74 LEU C C 74 177.021 176.890 0.131 1 1 844 . 12 1 1 A 74 74 LEU CA C 74 56.843 57.019 -0.176 1 1 845 . 12 1 1 A 74 74 LEU CB C 74 42.625 42.806 -0.181 1 1 849 . 12 1 1 A 74 74 LEU N N 74 118.460 119.355 -0.895 1 1 850 . 12 1 1 A 75 75 GLY H H 75 7.174 7.234 -0.060 1 1 851 . 12 1 1 A 75 75 GLY HA2 H 75 4.215 4.059 0.156 1 1 852 . 12 1 1 A 75 75 GLY HA3 H 75 3.630 4.062 -0.432 1 1 853 . 12 1 1 A 75 75 GLY C C 75 172.805 173.823 -1.018 1 1 854 . 12 1 1 A 75 75 GLY CA C 75 45.360 45.655 -0.295 1 1 855 . 12 1 1 A 75 75 GLY N N 75 102.991 104.191 -1.200 1 1 856 . 12 1 1 A 76 76 ASP H H 76 8.825 8.715 0.110 1 1 857 . 12 1 1 A 76 76 ASP HA H 76 4.766 4.663 0.103 1 1 860 . 12 1 1 A 76 76 ASP C C 76 173.749 175.735 -1.986 1 1 861 . 12 1 1 A 76 76 ASP CA C 76 53.708 54.182 -0.474 1 1 862 . 12 1 1 A 76 76 ASP CB C 76 39.071 40.596 -1.525 1 1 863 . 12 1 1 A 76 76 ASP N N 76 126.839 120.444 6.395 1 1 864 . 12 1 1 A 77 77 VAL H H 77 7.511 7.415 0.096 1 1 865 . 12 1 1 A 77 77 VAL HA H 77 4.772 4.056 0.716 1 1 873 . 12 1 1 A 77 77 VAL C C 77 175.629 175.738 -0.109 1 1 874 . 12 1 1 A 77 77 VAL CA C 77 58.959 61.989 -3.030 1 1 875 . 12 1 1 A 77 77 VAL CB C 77 34.970 32.577 2.393 1 1 878 . 12 1 1 A 77 77 VAL N N 77 115.615 117.922 -2.307 1 1 879 . 12 1 1 A 78 78 ASN H H 78 8.822 8.558 0.264 1 1 880 . 12 1 1 A 78 78 ASN HA H 78 4.820 4.704 0.116 1 1 885 . 12 1 1 A 78 78 ASN C C 78 174.047 175.312 -1.265 1 1 886 . 12 1 1 A 78 78 ASN CA C 78 52.085 53.816 -1.731 1 1 887 . 12 1 1 A 78 78 ASN CB C 78 40.438 38.830 1.608 1 1 888 . 12 1 1 A 78 78 ASN N N 78 120.393 122.539 -2.146 1 1 890 . 12 1 1 A 79 79 VAL H H 79 8.044 8.411 -0.367 1 1 891 . 12 1 1 A 79 79 VAL HA H 79 4.669 4.946 -0.277 1 1 899 . 12 1 1 A 79 79 VAL C C 79 174.123 173.664 0.459 1 1 900 . 12 1 1 A 79 79 VAL CA C 79 61.491 59.592 1.899 1 1 901 . 12 1 1 A 79 79 VAL CB C 79 33.329 35.288 -1.959 1 1 904 . 12 1 1 A 79 79 VAL N N 79 122.456 117.425 5.031 1 1 905 . 12 1 1 A 80 80 TYR H H 80 8.944 8.865 0.079 1 1 906 . 12 1 1 A 80 80 TYR HA H 80 6.170 5.207 0.963 1 1 911 . 12 1 1 A 80 80 TYR C C 80 177.210 175.078 2.132 1 1 912 . 12 1 1 A 80 80 TYR CA C 80 54.929 56.114 -1.185 1 1 913 . 12 1 1 A 80 80 TYR CB C 80 42.899 43.163 -0.264 1 1 914 . 12 1 1 A 80 80 TYR N N 80 123.229 122.540 0.689 1 1 915 . 12 1 1 A 81 81 THR H H 81 8.465 8.637 -0.172 1 1 916 . 12 1 1 A 81 81 THR HA H 81 5.652 5.279 0.373 1 1 921 . 12 1 1 A 81 81 THR C C 81 172.880 173.000 -0.120 1 1 922 . 12 1 1 A 81 81 THR CA C 81 62.038 61.519 0.519 1 1 923 . 12 1 1 A 81 81 THR CB C 81 71.608 71.610 -0.002 1 1 925 . 12 1 1 A 81 81 THR N N 81 119.491 115.541 3.950 1 1 926 . 12 1 1 A 82 82 ILE H H 82 8.958 9.443 -0.485 1 1 927 . 12 1 1 A 82 82 ILE HA H 82 5.145 4.783 0.362 1 1 937 . 12 1 1 A 82 82 ILE C C 82 174.123 174.829 -0.706 1 1 938 . 12 1 1 A 82 82 ILE CA C 82 59.847 60.138 -0.291 1 1 939 . 12 1 1 A 82 82 ILE CB C 82 39.618 39.440 0.178 1 1 943 . 12 1 1 A 82 82 ILE N N 82 125.550 129.330 -3.780 1 1 944 . 12 1 1 A 83 83 SER H H 83 7.731 8.600 -0.869 1 1 945 . 12 1 1 A 83 83 SER HA H 83 4.909 5.107 -0.198 1 1 948 . 12 1 1 A 83 83 SER C C 83 173.182 173.566 -0.384 1 1 949 . 12 1 1 A 83 83 SER CA C 83 57.034 57.729 -0.695 1 1 950 . 12 1 1 A 83 83 SER CB C 83 68.054 67.054 1.000 1 1 951 . 12 1 1 A 83 83 SER N N 83 117.171 121.083 -3.912 1 1 952 . 12 1 1 A 84 84 ALA H H 84 9.548 8.684 0.864 1 1 953 . 12 1 1 A 84 84 ALA HA H 84 4.177 4.497 -0.320 1 1 957 . 12 1 1 A 84 84 ALA C C 84 175.290 178.159 -2.869 1 1 958 . 12 1 1 A 84 84 ALA CA C 84 51.922 51.730 0.192 1 1 959 . 12 1 1 A 84 84 ALA CB C 84 19.111 19.904 -0.793 1 1 960 . 12 1 1 A 84 84 ALA N N 84 120.651 124.806 -4.155 1 1 961 . 12 1 1 A 85 85 ASP H H 85 7.739 8.898 -1.159 1 1 962 . 12 1 1 A 85 85 ASP HA H 85 4.380 4.378 0.002 1 1 965 . 12 1 1 A 85 85 ASP C C 85 175.591 176.773 -1.182 1 1 966 . 12 1 1 A 85 85 ASP CA C 85 55.136 56.463 -1.327 1 1 967 . 12 1 1 A 85 85 ASP CB C 85 43.011 40.813 2.198 1 1 968 . 12 1 1 A 85 85 ASP N N 85 114.721 119.326 -4.605 1 1 969 . 12 1 1 A 86 86 LEU H H 86 8.475 7.224 1.251 1 1 970 . 12 1 1 A 86 86 LEU HA H 86 3.956 4.121 -0.165 1 1 980 . 12 1 1 A 86 86 LEU CA C 86 54.656 53.060 1.596 1 1 981 . 12 1 1 A 86 86 LEU CB C 86 39.380 42.755 -3.375 1 1 985 . 12 1 1 A 87 87 PRO HA H 87 4.225 4.471 -0.246 1 1 992 . 12 1 1 A 87 87 PRO CA C 87 65.046 63.607 1.439 1 1 993 . 12 1 1 A 87 87 PRO CB C 87 32.264 32.838 -0.574 1 1 996 . 12 1 1 A 88 88 PHE H H 88 5.565 8.363 -2.798 1 1 997 . 12 1 1 A 88 88 PHE HA H 88 4.340 4.378 -0.038 1 1 1000 . 12 1 1 A 88 88 PHE CA C 88 57.664 61.011 -3.347 1 1 1001 . 12 1 1 A 88 88 PHE CB C 88 39.344 38.740 0.604 1 1 1002 . 12 1 1 A 88 88 PHE N N 88 110.725 119.009 -8.284 1 1 1003 . 12 1 1 A 89 89 ALA H H 89 7.381 7.570 -0.189 1 1 1004 . 12 1 1 A 89 89 ALA HA H 89 4.239 4.618 -0.379 1 1 1008 . 12 1 1 A 89 89 ALA CA C 89 52.009 51.269 0.740 1 1 1009 . 12 1 1 A 89 89 ALA CB C 89 19.761 20.208 -0.447 1 1 1010 . 12 1 1 A 89 89 ALA N N 89 114.850 118.818 -3.968 1 1 1011 . 12 1 1 A 90 90 GLN H H 90 7.231 7.992 -0.761 1 1 1012 . 12 1 1 A 90 90 GLN HA H 90 3.695 3.936 -0.241 1 1 1018 . 12 1 1 A 90 90 GLN CA C 90 59.578 58.323 1.255 1 1 1019 . 12 1 1 A 90 90 GLN CB C 90 28.728 28.124 0.604 1 1 1022 . 12 1 1 A 91 91 ALA H H 91 7.741 7.702 0.039 1 1 1023 . 12 1 1 A 91 91 ALA HA H 91 4.202 3.678 0.524 1 1 1027 . 12 1 1 A 91 91 ALA CA C 91 54.382 53.657 0.725 1 1 1028 . 12 1 1 A 91 91 ALA CB C 91 18.837 18.175 0.662 1 1 1029 . 12 1 1 A 91 91 ALA N N 91 118.589 121.058 -2.469 1 1 1030 . 12 1 1 A 92 92 ARG H H 92 7.354 7.365 -0.011 1 1 1031 . 12 1 1 A 92 92 ARG HA H 92 4.588 4.500 0.088 1 1 1038 . 12 1 1 A 92 92 ARG CA C 92 55.476 55.254 0.222 1 1 1039 . 12 1 1 A 92 92 ARG CB C 92 30.048 30.392 -0.344 1 1 1042 . 12 1 1 A 93 93 TRP H H 93 7.767 7.634 0.133 1 1 1043 . 12 1 1 A 93 93 TRP HA H 93 4.881 4.171 0.710 1 1 1050 . 12 1 1 A 93 93 TRP CA C 93 57.534 58.006 -0.472 1 1 1051 . 12 1 1 A 93 93 TRP CB C 93 29.501 26.174 3.327 1 1 1052 . 12 1 1 A 93 93 TRP N N 93 121.927 116.805 5.122 1 1 1054 . 12 1 1 A 94 94 CYS HA H 94 3.901 4.322 -0.421 1 1 1057 . 12 1 1 A 94 94 CYS CA C 94 59.577 58.182 1.395 1 1 1058 . 12 1 1 A 94 94 CYS CB C 94 43.446 42.014 1.432 1 1 1059 . 12 1 1 A 95 95 GLY HA2 H 95 5.122 3.972 1.150 1 1 1060 . 12 1 1 A 95 95 GLY HA3 H 95 3.691 3.993 -0.302 1 1 1061 . 12 1 1 A 95 95 GLY CA C 95 45.511 45.596 -0.085 1 1 1062 . 12 1 1 A 96 96 ALA H H 96 7.504 8.238 -0.734 1 1 1063 . 12 1 1 A 96 96 ALA HA H 96 4.412 4.557 -0.145 1 1 1067 . 12 1 1 A 96 96 ALA CA C 96 51.699 51.322 0.377 1 1 1068 . 12 1 1 A 96 96 ALA CB C 96 21.025 21.103 -0.078 1 1 1069 . 12 1 1 A 96 96 ALA N N 96 121.579 121.257 0.322 1 1 1070 . 12 1 1 A 97 97 ASN H H 97 7.345 7.891 -0.546 1 1 1071 . 12 1 1 A 97 97 ASN HA H 97 4.551 4.478 0.073 1 1 1076 . 12 1 1 A 97 97 ASN CA C 97 54.929 54.063 0.866 1 1 1077 . 12 1 1 A 97 97 ASN CB C 97 39.071 38.961 0.110 1 1 1079 . 12 1 1 A 98 98 GLY H H 98 8.890 8.865 0.025 1 1 1080 . 12 1 1 A 98 98 GLY HA2 H 98 3.796 3.913 -0.117 1 1 1081 . 12 1 1 A 98 98 GLY HA3 H 98 4.070 3.931 0.139 1 1 1082 . 12 1 1 A 98 98 GLY C C 98 174.160 174.097 0.063 1 1 1083 . 12 1 1 A 98 98 GLY CA C 98 45.841 45.495 0.346 1 1 1084 . 12 1 1 A 99 99 ILE H H 99 7.739 7.883 -0.144 1 1 1085 . 12 1 1 A 99 99 ILE HA H 99 4.198 4.023 0.175 1 1 1095 . 12 1 1 A 99 99 ILE C C 99 175.561 176.077 -0.516 1 1 1096 . 12 1 1 A 99 99 ILE CA C 99 60.671 60.501 0.170 1 1 1097 . 12 1 1 A 99 99 ILE CB C 99 38.524 36.991 1.533 1 1 1101 . 12 1 1 A 99 99 ILE N N 99 120.780 118.684 2.096 1 1 1102 . 12 1 1 A 100 100 ASP H H 100 8.372 8.211 0.161 1 1 1103 . 12 1 1 A 100 100 ASP HA H 100 4.426 4.015 0.411 1 1 1106 . 12 1 1 A 100 100 ASP C C 100 176.325 178.058 -1.733 1 1 1107 . 12 1 1 A 100 100 ASP CA C 100 56.023 56.958 -0.935 1 1 1108 . 12 1 1 A 100 100 ASP CB C 100 40.985 40.850 0.135 1 1 1109 . 12 1 1 A 100 100 ASP N N 100 126.194 124.639 1.555 1 1 1110 . 12 1 1 A 101 101 LYS H H 101 8.081 7.776 0.305 1 1 1111 . 12 1 1 A 101 101 LYS HA H 101 4.052 4.148 -0.096 1 1 1120 . 12 1 1 A 101 101 LYS C C 101 175.874 177.467 -1.593 1 1 1121 . 12 1 1 A 101 101 LYS CA C 101 58.210 58.257 -0.047 1 1 1122 . 12 1 1 A 101 101 LYS CB C 101 31.689 32.288 -0.599 1 1 1126 . 12 1 1 A 101 101 LYS N N 101 115.366 116.809 -1.443 1 1 1127 . 12 1 1 A 102 102 VAL H H 102 7.631 7.652 -0.021 1 1 1128 . 12 1 1 A 102 102 VAL HA H 102 4.419 4.114 0.305 1 1 1136 . 12 1 1 A 102 102 VAL C C 102 175.145 175.547 -0.402 1 1 1137 . 12 1 1 A 102 102 VAL CA C 102 61.919 62.824 -0.905 1 1 1138 . 12 1 1 A 102 102 VAL CB C 102 32.782 32.536 0.246 1 1 1141 . 12 1 1 A 102 102 VAL N N 102 119.362 119.902 -0.540 1 1 1142 . 12 1 1 A 103 103 GLU H H 103 8.489 8.321 0.168 1 1 1143 . 12 1 1 A 103 103 GLU HA H 103 4.931 5.200 -0.269 1 1 1148 . 12 1 1 A 103 103 GLU C C 103 175.943 175.709 0.234 1 1 1149 . 12 1 1 A 103 103 GLU CA C 103 55.140 54.853 0.287 1 1 1150 . 12 1 1 A 103 103 GLU CB C 103 33.329 33.666 -0.337 1 1 1152 . 12 1 1 A 103 103 GLU N N 103 126.581 124.897 1.684 1 1 1153 . 12 1 1 A 104 104 THR H H 104 8.690 8.879 -0.189 1 1 1154 . 12 1 1 A 104 104 THR HA H 104 5.292 5.021 0.271 1 1 1159 . 12 1 1 A 104 104 THR C C 104 173.165 174.062 -0.897 1 1 1160 . 12 1 1 A 104 104 THR CA C 104 58.757 61.114 -2.357 1 1 1161 . 12 1 1 A 104 104 THR CB C 104 69.967 70.121 -0.154 1 1 1163 . 12 1 1 A 104 104 THR N N 104 114.979 116.667 -1.688 1 1 1164 . 12 1 1 A 105 105 LEU H H 105 8.635 9.110 -0.475 1 1 1165 . 12 1 1 A 105 105 LEU HA H 105 4.979 5.305 -0.326 1 1 1175 . 12 1 1 A 105 105 LEU C C 105 176.985 175.354 1.631 1 1 1176 . 12 1 1 A 105 105 LEU CA C 105 52.849 53.407 -0.558 1 1 1177 . 12 1 1 A 105 105 LEU CB C 105 45.633 46.412 -0.779 1 1 1181 . 12 1 1 A 105 105 LEU N N 105 119.233 125.977 -6.744 1 1 1182 . 12 1 1 A 106 106 SER H H 106 9.670 8.959 0.711 1 1 1183 . 12 1 1 A 106 106 SER HA H 106 5.485 5.392 0.093 1 1 1186 . 12 1 1 A 106 106 SER C C 106 176.256 173.354 2.902 1 1 1187 . 12 1 1 A 106 106 SER CA C 106 56.570 56.801 -0.231 1 1 1188 . 12 1 1 A 106 106 SER CB C 106 65.593 66.816 -1.223 1 1 1189 . 12 1 1 A 106 106 SER N N 106 114.979 114.234 0.745 1 1 1190 . 12 1 1 A 107 107 ASP H H 107 8.764 8.407 0.357 1 1 1191 . 12 1 1 A 107 107 ASP HA H 107 5.517 4.820 0.697 1 1 1194 . 12 1 1 A 107 107 ASP CA C 107 52.753 54.537 -1.784 1 1 1195 . 12 1 1 A 107 107 ASP CB C 107 45.086 44.153 0.933 1 1 1196 . 12 1 1 A 107 107 ASP N N 107 132.898 122.287 10.611 1 1 1197 . 12 1 1 A 108 108 HIS H H 108 7.940 7.876 0.064 1 1 1198 . 12 1 1 A 108 108 HIS HA H 108 4.075 4.018 0.057 1 1 1200 . 12 1 1 A 108 108 HIS CA C 108 59.577 59.180 0.397 1 1 1201 . 12 1 1 A 108 108 HIS CB C 108 29.861 30.022 -0.161 1 1 1202 . 12 1 1 A 108 108 HIS N N 108 116.397 119.462 -3.065 1 1 1203 . 12 1 1 A 109 109 ARG HA H 109 4.214 3.891 0.323 1 1 1206 . 12 1 1 A 109 109 ARG CA C 109 59.031 59.073 -0.042 1 1 1207 . 12 1 1 A 109 109 ARG CB C 109 27.861 29.846 -1.985 1 1 1208 . 12 1 1 A 110 110 ASP HA H 110 4.867 4.816 0.051 1 1 1211 . 12 1 1 A 110 110 ASP C C 110 175.735 175.902 -0.167 1 1 1212 . 12 1 1 A 110 110 ASP CA C 110 53.708 53.072 0.636 1 1 1213 . 12 1 1 A 110 110 ASP CB C 110 43.875 42.701 1.174 1 1 1214 . 12 1 1 A 111 111 MET H H 111 7.899 8.524 -0.625 1 1 1215 . 12 1 1 A 111 111 MET HA H 111 4.503 4.390 0.113 1 1 1221 . 12 1 1 A 111 111 MET C C 111 177.332 176.280 1.052 1 1 1222 . 12 1 1 A 111 111 MET CA C 111 56.570 56.753 -0.183 1 1 1223 . 12 1 1 A 111 111 MET CB C 111 30.868 30.521 0.347 1 1 1226 . 12 1 1 A 111 111 MET N N 111 116.397 117.223 -0.826 1 1 1227 . 12 1 1 A 112 112 SER H H 112 7.931 8.252 -0.321 1 1 1228 . 12 1 1 A 112 112 SER HA H 112 4.248 4.458 -0.210 1 1 1231 . 12 1 1 A 112 112 SER C C 112 179.173 176.571 2.602 1 1 1232 . 12 1 1 A 112 112 SER CA C 112 60.945 61.943 -0.998 1 1 1233 . 12 1 1 A 112 112 SER CB C 112 64.499 62.962 1.537 1 1 1234 . 12 1 1 A 112 112 SER N N 112 113.561 113.393 0.168 1 1 1235 . 12 1 1 A 113 113 PHE H H 113 10.125 8.519 1.606 1 1 1236 . 12 1 1 A 113 113 PHE HA H 113 3.593 4.237 -0.644 1 1 1241 . 12 1 1 A 113 113 PHE C C 113 177.437 177.894 -0.457 1 1 1242 . 12 1 1 A 113 113 PHE CA C 113 62.312 61.530 0.782 1 1 1243 . 12 1 1 A 113 113 PHE CB C 113 37.704 38.860 -1.156 1 1 1244 . 12 1 1 A 113 113 PHE N N 113 125.550 122.047 3.503 1 1 1245 . 12 1 1 A 114 114 GLY H H 114 10.707 9.021 1.686 1 1 1246 . 12 1 1 A 114 114 GLY HA2 H 114 3.396 3.756 -0.360 1 1 1247 . 12 1 1 A 114 114 GLY HA3 H 114 3.218 3.802 -0.584 1 1 1248 . 12 1 1 A 114 114 GLY C C 114 175.735 175.613 0.122 1 1 1249 . 12 1 1 A 114 114 GLY CA C 114 48.641 47.419 1.222 1 1 1250 . 12 1 1 A 114 114 GLY N N 114 109.178 105.199 3.979 1 1 1251 . 12 1 1 A 115 115 GLU H H 115 8.251 8.361 -0.110 1 1 1252 . 12 1 1 A 115 115 GLU HA H 115 4.431 4.170 0.261 1 1 1257 . 12 1 1 A 115 115 GLU C C 115 178.756 178.461 0.295 1 1 1258 . 12 1 1 A 115 115 GLU CA C 115 59.031 58.863 0.168 1 1 1259 . 12 1 1 A 115 115 GLU CB C 115 29.775 29.321 0.454 1 1 1261 . 12 1 1 A 115 115 GLU N N 115 120.522 121.415 -0.893 1 1 1262 . 12 1 1 A 116 116 ALA H H 116 7.895 7.574 0.321 1 1 1263 . 12 1 1 A 116 116 ALA HA H 116 4.111 3.586 0.525 1 1 1267 . 12 1 1 A 116 116 ALA C C 116 177.610 178.268 -0.658 1 1 1268 . 12 1 1 A 116 116 ALA CA C 116 55.476 54.462 1.014 1 1 1269 . 12 1 1 A 116 116 ALA CB C 116 18.838 17.982 0.856 1 1 1270 . 12 1 1 A 116 116 ALA N N 116 123.100 121.350 1.750 1 1 1271 . 12 1 1 A 117 117 PHE H H 117 8.161 7.759 0.402 1 1 1272 . 12 1 1 A 117 117 PHE HA H 117 4.262 4.357 -0.095 1 1 1277 . 12 1 1 A 117 117 PHE C C 117 175.353 175.452 -0.099 1 1 1278 . 12 1 1 A 117 117 PHE CA C 117 56.843 57.410 -0.567 1 1 1279 . 12 1 1 A 117 117 PHE CB C 117 38.251 39.212 -0.961 1 1 1280 . 12 1 1 A 117 117 PHE N N 117 113.432 112.640 0.792 1 1 1281 . 12 1 1 A 118 118 GLY H H 118 7.685 7.555 0.130 1 1 1282 . 12 1 1 A 118 118 GLY HA2 H 118 3.544 4.024 -0.480 1 1 1283 . 12 1 1 A 118 118 GLY HA3 H 118 4.362 4.050 0.312 1 1 1284 . 12 1 1 A 118 118 GLY C C 118 174.901 175.462 -0.561 1 1 1285 . 12 1 1 A 118 118 GLY CA C 118 47.274 46.630 0.644 1 1 1286 . 12 1 1 A 118 118 GLY N N 118 112.143 108.375 3.768 1 1 1287 . 12 1 1 A 119 119 VAL H H 119 8.380 8.086 0.294 1 1 1288 . 12 1 1 A 119 119 VAL HA H 119 4.788 4.724 0.064 1 1 1296 . 12 1 1 A 119 119 VAL C C 119 174.901 175.568 -0.667 1 1 1297 . 12 1 1 A 119 119 VAL CA C 119 59.532 61.438 -1.906 1 1 1298 . 12 1 1 A 119 119 VAL CB C 119 32.509 32.332 0.177 1 1 1301 . 12 1 1 A 119 119 VAL N N 119 102.475 117.192 -14.717 1 1 1302 . 12 1 1 A 120 120 TYR H H 120 6.841 7.717 -0.876 1 1 1303 . 12 1 1 A 120 120 TYR HA H 120 4.484 4.856 -0.372 1 1 1308 . 12 1 1 A 120 120 TYR C C 120 173.443 175.242 -1.799 1 1 1309 . 12 1 1 A 120 120 TYR CA C 120 54.929 56.843 -1.914 1 1 1310 . 12 1 1 A 120 120 TYR CB C 120 37.704 38.707 -1.003 1 1 1311 . 12 1 1 A 120 120 TYR N N 120 124.518 124.282 0.236 1 1 1312 . 12 1 1 A 121 121 ILE H H 121 9.244 8.996 0.248 1 1 1313 . 12 1 1 A 121 121 ILE HA H 121 4.419 4.102 0.317 1 1 1323 . 12 1 1 A 121 121 ILE C C 121 176.221 176.486 -0.265 1 1 1324 . 12 1 1 A 121 121 ILE CA C 121 62.014 62.635 -0.621 1 1 1325 . 12 1 1 A 121 121 ILE CB C 121 37.704 37.752 -0.048 1 1 1329 . 12 1 1 A 121 121 ILE N N 121 128.772 129.162 -0.390 1 1 1330 . 12 1 1 A 122 122 LYS H H 122 9.328 9.033 0.295 1 1 1331 . 12 1 1 A 122 122 LYS HA H 122 3.588 3.604 -0.016 1 1 1340 . 12 1 1 A 122 122 LYS C C 122 179.069 178.119 0.950 1 1 1341 . 12 1 1 A 122 122 LYS CA C 122 60.124 59.960 0.164 1 1 1342 . 12 1 1 A 122 122 LYS CB C 122 33.329 32.020 1.309 1 1 1346 . 12 1 1 A 122 122 LYS N N 122 134.955 129.063 5.892 1 1 1347 . 12 1 1 A 123 123 GLU H H 123 10.228 7.928 2.300 1 1 1348 . 12 1 1 A 123 123 GLU HA H 123 3.919 4.140 -0.221 1 1 1353 . 12 1 1 A 123 123 GLU C C 123 176.638 179.298 -2.660 1 1 1354 . 12 1 1 A 123 123 GLU CA C 123 61.218 58.677 2.541 1 1 1355 . 12 1 1 A 123 123 GLU CB C 123 29.228 30.213 -0.985 1 1 1357 . 12 1 1 A 123 123 GLU N N 123 115.624 119.147 -3.523 1 1 1358 . 12 1 1 A 124 124 LEU H H 124 6.480 7.811 -1.331 1 1 1359 . 12 1 1 A 124 124 LEU HA H 124 4.464 4.150 0.314 1 1 1369 . 12 1 1 A 124 124 LEU C C 124 175.403 176.106 -0.703 1 1 1370 . 12 1 1 A 124 124 LEU CA C 124 53.562 56.846 -3.284 1 1 1371 . 12 1 1 A 124 124 LEU CB C 124 44.813 42.161 2.652 1 1 1375 . 12 1 1 A 124 124 LEU N N 124 110.434 120.646 -10.212 1 1 1376 . 12 1 1 A 125 125 ARG H H 125 8.701 7.531 1.170 1 1 1377 . 12 1 1 A 125 125 ARG HA H 125 3.783 4.343 -0.560 1 1 1380 . 12 1 1 A 125 125 ARG C C 125 173.029 174.694 -1.665 1 1 1381 . 12 1 1 A 125 125 ARG CA C 125 57.664 57.275 0.389 1 1 1382 . 12 1 1 A 125 125 ARG CB C 125 30.965 27.743 3.222 1 1 1383 . 12 1 1 A 125 125 ARG N N 125 121.940 117.159 4.781 1 1 1384 . 12 1 1 A 126 126 LEU H H 126 6.671 7.810 -1.139 1 1 1385 . 12 1 1 A 126 126 LEU HA H 126 4.621 4.606 0.015 1 1 1395 . 12 1 1 A 126 126 LEU C C 126 174.203 175.085 -0.882 1 1 1396 . 12 1 1 A 126 126 LEU CA C 126 51.922 53.082 -1.160 1 1 1397 . 12 1 1 A 126 126 LEU CB C 126 46.727 45.079 1.648 1 1 1401 . 12 1 1 A 126 126 LEU N N 126 111.885 119.206 -7.321 1 1 1402 . 12 1 1 A 127 127 LEU H H 127 8.447 8.646 -0.199 1 1 1403 . 12 1 1 A 127 127 LEU HA H 127 5.153 4.615 0.538 1 1 1413 . 12 1 1 A 127 127 LEU C C 127 175.145 177.693 -2.548 1 1 1414 . 12 1 1 A 127 127 LEU CA C 127 52.742 55.014 -2.272 1 1 1415 . 12 1 1 A 127 127 LEU CB C 127 43.172 42.063 1.109 1 1 1419 . 12 1 1 A 127 127 LEU N N 127 118.983 123.342 -4.359 1 1 1420 . 12 1 1 A 128 128 ALA H H 128 9.160 8.807 0.353 1 1 1421 . 12 1 1 A 128 128 ALA HA H 128 3.843 4.443 -0.600 1 1 1425 . 12 1 1 A 128 128 ALA C C 128 176.603 177.058 -0.455 1 1 1426 . 12 1 1 A 128 128 ALA CA C 128 52.469 52.297 0.172 1 1 1427 . 12 1 1 A 128 128 ALA CB C 128 18.291 19.253 -0.962 1 1 1428 . 12 1 1 A 128 128 ALA N N 128 121.682 126.657 -4.975 1 1 1429 . 12 1 1 A 129 129 ARG H H 129 6.254 8.661 -2.407 1 1 1430 . 12 1 1 A 129 129 ARG HA H 129 4.700 4.883 -0.183 1 1 1436 . 12 1 1 A 129 129 ARG C C 129 176.534 175.124 1.410 1 1 1437 . 12 1 1 A 129 129 ARG CA C 129 55.651 55.810 -0.159 1 1 1438 . 12 1 1 A 129 129 ARG CB C 129 29.775 30.908 -1.133 1 1 1441 . 12 1 1 A 129 129 ARG N N 129 120.393 122.950 -2.557 1 1 1442 . 12 1 1 A 130 130 SER H H 130 8.398 8.682 -0.284 1 1 1443 . 12 1 1 A 130 130 SER HA H 130 4.767 4.975 -0.208 1 1 1446 . 12 1 1 A 130 130 SER C C 130 172.957 172.328 0.629 1 1 1447 . 12 1 1 A 130 130 SER CA C 130 57.658 57.468 0.190 1 1 1448 . 12 1 1 A 130 130 SER CB C 130 63.679 67.006 -3.327 1 1 1449 . 12 1 1 A 130 130 SER N N 130 120.264 122.273 -2.009 1 1 1450 . 12 1 1 A 131 131 VAL H H 131 7.838 8.002 -0.164 1 1 1451 . 12 1 1 A 131 131 VAL HA H 131 5.086 5.033 0.053 1 1 1459 . 12 1 1 A 131 131 VAL C C 131 172.853 173.962 -1.109 1 1 1460 . 12 1 1 A 131 131 VAL CA C 131 60.746 59.268 1.478 1 1 1461 . 12 1 1 A 131 131 VAL CB C 131 36.610 35.850 0.760 1 1 1464 . 12 1 1 A 131 131 VAL N N 131 118.460 116.244 2.216 1 1 1465 . 12 1 1 A 132 132 PHE H H 132 9.259 9.328 -0.069 1 1 1466 . 12 1 1 A 132 132 PHE HA H 132 5.583 5.462 0.121 1 1 1470 . 12 1 1 A 132 132 PHE C C 132 174.797 174.950 -0.153 1 1 1471 . 12 1 1 A 132 132 PHE CA C 132 56.296 56.255 0.041 1 1 1472 . 12 1 1 A 132 132 PHE CB C 132 44.539 43.883 0.656 1 1 1473 . 12 1 1 A 132 132 PHE N N 132 121.682 120.993 0.689 1 1 1474 . 12 1 1 A 133 133 VAL H H 133 8.907 8.709 0.198 1 1 1475 . 12 1 1 A 133 133 VAL HA H 133 5.331 5.110 0.221 1 1 1483 . 12 1 1 A 133 133 VAL C C 133 174.450 175.057 -0.607 1 1 1484 . 12 1 1 A 133 133 VAL CA C 133 61.491 60.591 0.900 1 1 1485 . 12 1 1 A 133 133 VAL CB C 133 34.696 35.965 -1.269 1 1 1488 . 12 1 1 A 133 133 VAL N N 133 119.878 120.234 -0.356 1 1 1489 . 12 1 1 A 134 134 LEU H H 134 9.976 9.232 0.744 1 1 1490 . 12 1 1 A 134 134 LEU HA H 134 5.680 5.081 0.599 1 1 1500 . 12 1 1 A 134 134 LEU C C 134 176.777 175.295 1.482 1 1 1501 . 12 1 1 A 134 134 LEU CA C 134 52.195 53.385 -1.190 1 1 1502 . 12 1 1 A 134 134 LEU CB C 134 44.813 45.763 -0.950 1 1 1506 . 12 1 1 A 134 134 LEU N N 134 129.417 126.644 2.773 1 1 1507 . 12 1 1 A 135 135 ASP H H 135 9.051 9.239 -0.188 1 1 1508 . 12 1 1 A 135 135 ASP HA H 135 4.708 4.716 -0.008 1 1 1511 . 12 1 1 A 135 135 ASP C C 135 177.193 177.273 -0.080 1 1 1512 . 12 1 1 A 135 135 ASP CA C 135 52.276 53.650 -1.374 1 1 1513 . 12 1 1 A 135 135 ASP CB C 135 40.711 42.092 -1.381 1 1 1514 . 12 1 1 A 135 135 ASP N N 135 119.362 124.960 -5.598 1 1 1515 . 12 1 1 A 136 136 GLU H H 136 9.970 8.901 1.069 1 1 1516 . 12 1 1 A 136 136 GLU HA H 136 3.953 3.996 -0.043 1 1 1521 . 12 1 1 A 136 136 GLU C C 136 177.055 178.255 -1.200 1 1 1522 . 12 1 1 A 136 136 GLU CA C 136 58.757 59.512 -0.755 1 1 1523 . 12 1 1 A 136 136 GLU CB C 136 28.681 29.351 -0.670 1 1 1525 . 12 1 1 A 136 136 GLU N N 136 116.011 123.922 -7.911 1 1 1526 . 12 1 1 A 137 137 ASN H H 137 8.514 8.408 0.106 1 1 1527 . 12 1 1 A 137 137 ASN HA H 137 5.026 4.774 0.252 1 1 1532 . 12 1 1 A 137 137 ASN C C 137 175.943 175.911 0.032 1 1 1533 . 12 1 1 A 137 137 ASN CA C 137 52.753 53.411 -0.658 1 1 1534 . 12 1 1 A 137 137 ASN CB C 137 40.164 38.644 1.520 1 1 1535 . 12 1 1 A 137 137 ASN N N 137 117.042 115.898 1.144 1 1 1537 . 12 1 1 A 138 138 GLY H H 138 8.430 8.461 -0.031 1 1 1538 . 12 1 1 A 138 138 GLY HA2 H 138 3.690 4.010 -0.320 1 1 1539 . 12 1 1 A 138 138 GLY HA3 H 138 4.213 4.031 0.182 1 1 1540 . 12 1 1 A 138 138 GLY C C 138 172.436 174.389 -1.953 1 1 1541 . 12 1 1 A 138 138 GLY CA C 138 46.180 45.213 0.967 1 1 1542 . 12 1 1 A 138 138 GLY N N 138 109.565 108.688 0.877 1 1 1543 . 12 1 1 A 139 139 LYS H H 139 8.573 7.973 0.600 1 1 1544 . 12 1 1 A 139 139 LYS HA H 139 4.472 4.251 0.221 1 1 1553 . 12 1 1 A 139 139 LYS C C 139 176.742 175.724 1.018 1 1 1554 . 12 1 1 A 139 139 LYS CA C 139 56.195 56.628 -0.433 1 1 1555 . 12 1 1 A 139 139 LYS CB C 139 32.782 32.827 -0.045 1 1 1559 . 12 1 1 A 139 139 LYS N N 139 123.358 122.287 1.071 1 1 1560 . 12 1 1 A 140 140 VAL H H 140 9.102 8.522 0.580 1 1 1561 . 12 1 1 A 140 140 VAL HA H 140 4.293 4.479 -0.186 1 1 1569 . 12 1 1 A 140 140 VAL C C 140 177.124 176.117 1.007 1 1 1570 . 12 1 1 A 140 140 VAL CA C 140 63.952 62.425 1.527 1 1 1571 . 12 1 1 A 140 140 VAL CB C 140 31.142 32.405 -1.263 1 1 1574 . 12 1 1 A 140 140 VAL N N 140 125.292 124.566 0.726 1 1 1575 . 12 1 1 A 141 141 VAL H H 141 9.332 9.453 -0.121 1 1 1576 . 12 1 1 A 141 141 VAL HA H 141 4.670 4.332 0.338 1 1 1584 . 12 1 1 A 141 141 VAL C C 141 175.249 175.042 0.207 1 1 1585 . 12 1 1 A 141 141 VAL CA C 141 61.491 62.477 -0.986 1 1 1586 . 12 1 1 A 141 141 VAL CB C 141 32.509 33.479 -0.970 1 1 1589 . 12 1 1 A 141 141 VAL N N 141 124.261 124.361 -0.100 1 1 1590 . 12 1 1 A 142 142 TYR H H 142 7.959 7.539 0.420 1 1 1591 . 12 1 1 A 142 142 TYR HA H 142 4.389 4.817 -0.428 1 1 1596 . 12 1 1 A 142 142 TYR C C 142 172.262 173.505 -1.243 1 1 1597 . 12 1 1 A 142 142 TYR CA C 142 58.757 58.222 0.535 1 1 1598 . 12 1 1 A 142 142 TYR CB C 142 41.805 41.634 0.171 1 1 1599 . 12 1 1 A 142 142 TYR N N 142 122.198 120.922 1.276 1 1 1600 . 12 1 1 A 143 143 ALA H H 143 7.642 8.007 -0.365 1 1 1601 . 12 1 1 A 143 143 ALA HA H 143 4.883 5.132 -0.249 1 1 1605 . 12 1 1 A 143 143 ALA C C 143 175.353 175.227 0.126 1 1 1606 . 12 1 1 A 143 143 ALA CA C 143 51.703 51.486 0.217 1 1 1607 . 12 1 1 A 143 143 ALA CB C 143 22.666 22.692 -0.026 1 1 1608 . 12 1 1 A 143 143 ALA N N 143 129.804 128.516 1.288 1 1 1609 . 12 1 1 A 144 144 GLU H H 144 8.292 8.167 0.125 1 1 1610 . 12 1 1 A 144 144 GLU HA H 144 4.297 4.646 -0.349 1 1 1615 . 12 1 1 A 144 144 GLU C C 144 173.860 173.588 0.272 1 1 1616 . 12 1 1 A 144 144 GLU CA C 144 56.296 55.323 0.973 1 1 1617 . 12 1 1 A 144 144 GLU CB C 144 32.509 33.846 -1.337 1 1 1619 . 12 1 1 A 144 144 GLU N N 144 122.198 121.430 0.768 1 1 1620 . 12 1 1 A 145 145 TYR H H 145 9.006 9.010 -0.004 1 1 1621 . 12 1 1 A 145 145 TYR HA H 145 4.125 5.120 -0.995 1 1 1626 . 12 1 1 A 145 145 TYR C C 145 175.164 175.184 -0.020 1 1 1627 . 12 1 1 A 145 145 TYR CA C 145 57.117 56.985 0.132 1 1 1628 . 12 1 1 A 145 145 TYR CB C 145 38.251 40.538 -2.287 1 1 1629 . 12 1 1 A 145 145 TYR N N 145 128.128 123.867 4.261 1 1 1630 . 12 1 1 A 146 146 VAL H H 146 7.441 9.073 -1.632 1 1 1631 . 12 1 1 A 146 146 VAL HA H 146 3.672 3.995 -0.323 1 1 1639 . 12 1 1 A 146 146 VAL C C 146 176.777 176.070 0.707 1 1 1640 . 12 1 1 A 146 146 VAL CA C 146 64.226 63.532 0.694 1 1 1641 . 12 1 1 A 146 146 VAL CB C 146 30.868 31.707 -0.839 1 1 1644 . 12 1 1 A 146 146 VAL N N 146 125.808 125.992 -0.184 1 1 1645 . 12 1 1 A 147 147 SER H H 147 8.359 8.627 -0.268 1 1 1646 . 12 1 1 A 147 147 SER HA H 147 4.007 4.343 -0.336 1 1 1649 . 12 1 1 A 147 147 SER C C 147 172.123 174.869 -2.746 1 1 1650 . 12 1 1 A 147 147 SER CA C 147 63.132 61.300 1.832 1 1 1651 . 12 1 1 A 147 147 SER CB C 147 62.859 63.079 -0.220 1 1 1652 . 12 1 1 A 147 147 SER N N 147 121.425 121.474 -0.049 1 1 1653 . 12 1 1 A 148 148 GLU H H 148 7.177 7.981 -0.804 1 1 1654 . 12 1 1 A 148 148 GLU HA H 148 5.055 4.637 0.418 1 1 1659 . 12 1 1 A 148 148 GLU C C 148 176.082 176.145 -0.063 1 1 1660 . 12 1 1 A 148 148 GLU CA C 148 52.563 55.276 -2.713 1 1 1661 . 12 1 1 A 148 148 GLU CB C 148 29.774 31.545 -1.771 1 1 1663 . 12 1 1 A 148 148 GLU N N 148 119.620 121.030 -1.410 1 1 1664 . 12 1 1 A 149 149 ALA H H 149 9.142 9.479 -0.337 1 1 1665 . 12 1 1 A 149 149 ALA HA H 149 4.704 4.053 0.651 1 1 1669 . 12 1 1 A 149 149 ALA C C 149 177.437 178.508 -1.071 1 1 1670 . 12 1 1 A 149 149 ALA CA C 149 54.466 55.106 -0.640 1 1 1671 . 12 1 1 A 149 149 ALA CB C 149 19.111 18.784 0.327 1 1 1672 . 12 1 1 A 149 149 ALA N N 149 127.741 129.324 -1.583 1 1 1673 . 12 1 1 A 150 150 THR H H 150 8.200 7.558 0.642 1 1 1674 . 12 1 1 A 150 150 THR HA H 150 4.393 4.352 0.041 1 1 1679 . 12 1 1 A 150 150 THR C C 150 174.554 173.510 1.044 1 1 1680 . 12 1 1 A 150 150 THR CA C 150 62.312 62.311 0.001 1 1 1681 . 12 1 1 A 150 150 THR CB C 150 69.694 68.955 0.739 1 1 1683 . 12 1 1 A 150 150 THR N N 150 104.453 106.586 -2.133 1 1 1684 . 12 1 1 A 151 151 ASN H H 151 7.984 7.571 0.413 1 1 1685 . 12 1 1 A 151 151 ASN HA H 151 4.947 5.228 -0.281 1 1 1690 . 12 1 1 A 151 151 ASN C C 151 174.554 173.500 1.054 1 1 1691 . 12 1 1 A 151 151 ASN CA C 151 51.135 51.620 -0.485 1 1 1692 . 12 1 1 A 151 151 ASN CB C 151 39.344 41.520 -2.176 1 1 1693 . 12 1 1 A 151 151 ASN N N 151 123.487 119.528 3.959 1 1 1695 . 12 1 1 A 152 152 HIS H H 152 8.160 8.694 -0.534 1 1 1696 . 12 1 1 A 152 152 HIS HA H 152 4.731 5.443 -0.712 1 1 1700 . 12 1 1 A 152 152 HIS C C 152 174.381 173.573 0.808 1 1 1701 . 12 1 1 A 152 152 HIS CA C 152 54.854 52.855 1.999 1 1 1702 . 12 1 1 A 152 152 HIS CB C 152 31.415 32.594 -1.179 1 1 1703 . 12 1 1 A 152 152 HIS N N 152 116.139 114.911 1.228 1 1 1704 . 12 1 1 A 153 153 PRO HA H 153 4.335 4.480 -0.145 1 1 1709 . 12 1 1 A 153 153 PRO C C 153 173.894 176.435 -2.541 1 1 1710 . 12 1 1 A 153 153 PRO CA C 153 61.491 62.370 -0.879 1 1 1711 . 12 1 1 A 153 153 PRO CB C 153 32.782 32.343 0.439 1 1 1714 . 12 1 1 A 154 154 ASN H H 154 9.511 8.675 0.836 1 1 1715 . 12 1 1 A 154 154 ASN HA H 154 4.306 4.817 -0.511 1 1 1720 . 12 1 1 A 154 154 ASN C C 154 176.568 175.598 0.970 1 1 1721 . 12 1 1 A 154 154 ASN CA C 154 54.656 52.010 2.646 1 1 1722 . 12 1 1 A 154 154 ASN CB C 154 39.071 37.792 1.279 1 1 1723 . 12 1 1 A 154 154 ASN N N 154 118.718 119.558 -0.840 1 1 1725 . 12 1 1 A 155 155 TYR H H 155 8.691 7.983 0.708 1 1 1726 . 12 1 1 A 155 155 TYR HA H 155 4.364 4.245 0.119 1 1 1731 . 12 1 1 A 155 155 TYR C C 155 176.256 176.990 -0.734 1 1 1732 . 12 1 1 A 155 155 TYR CA C 155 59.304 59.521 -0.217 1 1 1733 . 12 1 1 A 155 155 TYR CB C 155 39.344 37.247 2.097 1 1 1734 . 12 1 1 A 155 155 TYR N N 155 125.421 123.961 1.460 1 1 1735 . 12 1 1 A 156 156 GLU H H 156 8.200 7.694 0.506 1 1 1736 . 12 1 1 A 156 156 GLU HA H 156 4.415 4.055 0.360 1 1 1741 . 12 1 1 A 156 156 GLU C C 156 178.583 179.000 -0.417 1 1 1742 . 12 1 1 A 156 156 GLU CA C 156 58.757 59.325 -0.568 1 1 1743 . 12 1 1 A 156 156 GLU CB C 156 30.868 28.872 1.996 1 1 1745 . 12 1 1 A 156 156 GLU N N 156 119.878 122.532 -2.654 1 1 1746 . 12 1 1 A 157 157 LYS H H 157 8.718 7.676 1.042 1 1 1747 . 12 1 1 A 157 157 LYS HA H 157 4.095 4.035 0.060 1 1 1756 . 12 1 1 A 157 157 LYS C C 157 176.152 175.503 0.649 1 1 1757 . 12 1 1 A 157 157 LYS CA C 157 60.398 61.400 -1.002 1 1 1758 . 12 1 1 A 157 157 LYS CB C 157 30.595 30.706 -0.111 1 1 1762 . 12 1 1 A 157 157 LYS N N 157 121.167 120.243 0.924 1 1 1763 . 12 1 1 A 158 158 PRO HA H 158 3.116 3.680 -0.564 1 1 1770 . 12 1 1 A 158 158 PRO C C 158 177.853 179.389 -1.536 1 1 1771 . 12 1 1 A 158 158 PRO CA C 158 65.319 64.727 0.592 1 1 1772 . 12 1 1 A 158 158 PRO CB C 158 30.595 30.687 -0.092 1 1 1775 . 12 1 1 A 159 159 ILE H H 159 6.215 7.218 -1.003 1 1 1776 . 12 1 1 A 159 159 ILE HA H 159 3.594 3.868 -0.274 1 1 1786 . 12 1 1 A 159 159 ILE C C 159 177.610 177.851 -0.241 1 1 1787 . 12 1 1 A 159 159 ILE CA C 159 62.312 64.318 -2.006 1 1 1788 . 12 1 1 A 159 159 ILE CB C 159 35.516 37.907 -2.391 1 1 1792 . 12 1 1 A 159 159 ILE N N 159 113.948 116.604 -2.656 1 1 1793 . 12 1 1 A 160 160 GLU H H 160 7.572 8.500 -0.928 1 1 1794 . 12 1 1 A 160 160 GLU HA H 160 3.876 4.004 -0.128 1 1 1799 . 12 1 1 A 160 160 GLU C C 160 179.277 179.528 -0.251 1 1 1800 . 12 1 1 A 160 160 GLU CA C 160 59.304 59.566 -0.262 1 1 1801 . 12 1 1 A 160 160 GLU CB C 160 29.774 29.188 0.586 1 1 1803 . 12 1 1 A 160 160 GLU N N 160 119.104 120.660 -1.556 1 1 1804 . 12 1 1 A 161 161 ALA H H 161 7.902 7.935 -0.033 1 1 1805 . 12 1 1 A 161 161 ALA HA H 161 4.137 4.188 -0.051 1 1 1809 . 12 1 1 A 161 161 ALA C C 161 179.485 180.157 -0.672 1 1 1810 . 12 1 1 A 161 161 ALA CA C 161 54.656 54.994 -0.338 1 1 1811 . 12 1 1 A 161 161 ALA CB C 161 18.017 18.029 -0.012 1 1 1812 . 12 1 1 A 161 161 ALA N N 161 120.393 123.365 -2.972 1 1 1813 . 12 1 1 A 162 162 ALA H H 162 7.734 8.014 -0.280 1 1 1814 . 12 1 1 A 162 162 ALA HA H 162 3.950 4.093 -0.143 1 1 1818 . 12 1 1 A 162 162 ALA C C 162 179.485 179.753 -0.268 1 1 1819 . 12 1 1 A 162 162 ALA CA C 162 54.656 55.206 -0.550 1 1 1820 . 12 1 1 A 162 162 ALA CB C 162 19.111 18.167 0.944 1 1 1821 . 12 1 1 A 162 162 ALA N N 162 118.202 121.029 -2.827 1 1 1822 . 12 1 1 A 163 163 LYS H H 163 8.760 8.482 0.278 1 1 1823 . 12 1 1 A 163 163 LYS HA H 163 3.842 3.968 -0.126 1 1 1832 . 12 1 1 A 163 163 LYS C C 163 178.201 179.409 -1.208 1 1 1833 . 12 1 1 A 163 163 LYS CA C 163 59.578 59.302 0.276 1 1 1834 . 12 1 1 A 163 163 LYS CB C 163 32.782 32.165 0.617 1 1 1838 . 12 1 1 A 163 163 LYS N N 163 118.202 117.100 1.102 1 1 1839 . 12 1 1 A 164 164 ALA H H 164 7.216 8.312 -1.096 1 1 1840 . 12 1 1 A 164 164 ALA HA H 164 4.215 4.103 0.112 1 1 1844 . 12 1 1 A 164 164 ALA C C 164 178.339 179.522 -1.183 1 1 1845 . 12 1 1 A 164 164 ALA CA C 164 53.836 54.861 -1.025 1 1 1846 . 12 1 1 A 164 164 ALA CB C 164 18.291 18.653 -0.362 1 1 1847 . 12 1 1 A 164 164 ALA N N 164 117.557 121.655 -4.098 1 1 1848 . 12 1 1 A 165 165 LEU H H 165 7.503 7.670 -0.167 1 1 1849 . 12 1 1 A 165 165 LEU HA H 165 4.432 4.266 0.166 1 1 1859 . 12 1 1 A 165 165 LEU C C 165 177.714 178.860 -1.146 1 1 1860 . 12 1 1 A 165 165 LEU CA C 165 54.929 57.175 -2.246 1 1 1861 . 12 1 1 A 165 165 LEU CB C 165 44.256 42.316 1.940 1 1 1865 . 12 1 1 A 165 165 LEU N N 165 115.753 119.238 -3.485 1 1 1866 . 12 1 1 A 166 166 VAL H H 166 7.337 8.206 -0.869 1 1 1867 . 12 1 1 A 166 166 VAL HA H 166 4.103 3.568 0.535 1 1 1875 . 12 1 1 A 166 166 VAL C C 166 175.040 178.037 -2.997 1 1 1876 . 12 1 1 A 166 166 VAL CA C 166 62.859 66.709 -3.850 1 1 1877 . 12 1 1 A 166 166 VAL CB C 166 32.509 31.556 0.953 1 1 1880 . 12 1 1 A 166 166 VAL N N 166 118.589 118.511 0.078 1 1 1 . 13 1 1 A 2 2 ALA HA H 2 3.876 4.254 -0.378 1 1 5 . 13 1 1 A 2 2 ALA C C 2 172.590 176.960 -4.370 1 1 6 . 13 1 1 A 2 2 ALA CA C 2 51.922 52.517 -0.595 1 1 7 . 13 1 1 A 2 2 ALA CB C 2 18.924 18.914 0.010 1 1 8 . 13 1 1 A 3 3 GLU H H 3 8.262 8.539 -0.277 1 1 9 . 13 1 1 A 3 3 GLU HA H 3 4.641 4.801 -0.160 1 1 14 . 13 1 1 A 3 3 GLU C C 3 175.157 174.603 0.554 1 1 15 . 13 1 1 A 3 3 GLU CA C 3 55.476 55.535 -0.059 1 1 16 . 13 1 1 A 3 3 GLU CB C 3 31.142 34.040 -2.898 1 1 18 . 13 1 1 A 3 3 GLU N N 3 121.167 121.059 0.108 1 1 19 . 13 1 1 A 4 4 ILE H H 4 9.053 8.486 0.567 1 1 20 . 13 1 1 A 4 4 ILE HA H 4 5.361 5.022 0.339 1 1 30 . 13 1 1 A 4 4 ILE C C 4 175.817 174.469 1.348 1 1 31 . 13 1 1 A 4 4 ILE CA C 4 59.304 59.175 0.129 1 1 32 . 13 1 1 A 4 4 ILE CB C 4 42.079 42.595 -0.516 1 1 36 . 13 1 1 A 4 4 ILE N N 4 124.776 119.952 4.824 1 1 37 . 13 1 1 A 5 5 THR H H 5 8.977 8.397 0.580 1 1 38 . 13 1 1 A 5 5 THR HA H 5 5.141 5.218 -0.077 1 1 43 . 13 1 1 A 5 5 THR C C 5 173.483 173.239 0.244 1 1 44 . 13 1 1 A 5 5 THR CA C 5 59.304 61.089 -1.785 1 1 45 . 13 1 1 A 5 5 THR CB C 5 73.249 71.345 1.904 1 1 47 . 13 1 1 A 5 5 THR N N 5 112.659 116.597 -3.938 1 1 48 . 13 1 1 A 6 6 PHE H H 6 9.173 9.487 -0.314 1 1 49 . 13 1 1 A 6 6 PHE HA H 6 4.866 5.212 -0.346 1 1 53 . 13 1 1 A 6 6 PHE C C 6 175.591 174.818 0.773 1 1 54 . 13 1 1 A 6 6 PHE CA C 6 58.054 57.185 0.869 1 1 55 . 13 1 1 A 6 6 PHE CB C 6 42.625 42.152 0.473 1 1 56 . 13 1 1 A 6 6 PHE N N 6 119.362 125.045 -5.683 1 1 57 . 13 1 1 A 7 7 LYS H H 7 11.130 9.255 1.875 1 1 58 . 13 1 1 A 7 7 LYS HA H 7 3.567 3.793 -0.226 1 1 67 . 13 1 1 A 7 7 LYS C C 7 177.661 175.616 2.045 1 1 68 . 13 1 1 A 7 7 LYS CA C 7 57.390 57.106 0.284 1 1 69 . 13 1 1 A 7 7 LYS CB C 7 29.222 31.269 -2.047 1 1 73 . 13 1 1 A 7 7 LYS N N 7 134.058 126.868 7.190 1 1 74 . 13 1 1 A 8 8 GLY H H 8 8.965 8.687 0.278 1 1 75 . 13 1 1 A 8 8 GLY HA2 H 8 4.244 3.837 0.407 1 1 76 . 13 1 1 A 8 8 GLY HA3 H 8 3.528 3.837 -0.309 1 1 77 . 13 1 1 A 8 8 GLY C C 8 173.822 174.000 -0.178 1 1 78 . 13 1 1 A 8 8 GLY CA C 8 45.360 45.274 0.086 1 1 79 . 13 1 1 A 8 8 GLY N N 8 104.280 105.388 -1.108 1 1 80 . 13 1 1 A 9 9 GLY H H 9 7.942 8.240 -0.298 1 1 81 . 13 1 1 A 9 9 GLY HA2 H 9 4.815 4.243 0.572 1 1 82 . 13 1 1 A 9 9 GLY HA3 H 9 3.715 4.272 -0.557 1 1 83 . 13 1 1 A 9 9 GLY C C 9 171.262 173.366 -2.104 1 1 84 . 13 1 1 A 9 9 GLY CA C 9 43.172 44.825 -1.653 1 1 85 . 13 1 1 A 9 9 GLY N N 9 109.823 107.883 1.940 1 1 86 . 13 1 1 A 10 10 PRO HA H 10 4.640 4.652 -0.012 1 1 93 . 13 1 1 A 10 10 PRO C C 10 177.097 176.371 0.726 1 1 94 . 13 1 1 A 10 10 PRO CA C 10 63.952 63.117 0.835 1 1 95 . 13 1 1 A 10 10 PRO CB C 10 32.509 32.389 0.120 1 1 98 . 13 1 1 A 11 11 VAL H H 11 7.770 8.687 -0.917 1 1 99 . 13 1 1 A 11 11 VAL HA H 11 4.632 4.869 -0.237 1 1 107 . 13 1 1 A 11 11 VAL C C 11 174.462 174.362 0.100 1 1 108 . 13 1 1 A 11 11 VAL CA C 11 59.304 59.495 -0.191 1 1 109 . 13 1 1 A 11 11 VAL CB C 11 35.516 35.839 -0.323 1 1 112 . 13 1 1 A 11 11 VAL N N 11 115.495 116.812 -1.317 1 1 113 . 13 1 1 A 12 12 THR H H 12 10.773 8.801 1.972 1 1 114 . 13 1 1 A 12 12 THR HA H 12 4.425 4.540 -0.115 1 1 119 . 13 1 1 A 12 12 THR C C 12 173.505 174.014 -0.509 1 1 120 . 13 1 1 A 12 12 THR CA C 12 62.312 61.761 0.551 1 1 121 . 13 1 1 A 12 12 THR CB C 12 69.694 70.069 -0.375 1 1 123 . 13 1 1 A 12 12 THR N N 12 121.940 119.609 2.331 1 1 124 . 13 1 1 A 13 13 LEU H H 13 8.524 8.543 -0.019 1 1 125 . 13 1 1 A 13 13 LEU HA H 13 5.132 4.969 0.163 1 1 135 . 13 1 1 A 13 13 LEU C C 13 177.285 176.691 0.594 1 1 136 . 13 1 1 A 13 13 LEU CA C 13 53.289 53.432 -0.143 1 1 137 . 13 1 1 A 13 13 LEU CB C 13 42.352 44.468 -2.116 1 1 141 . 13 1 1 A 13 13 LEU N N 13 125.550 124.202 1.348 1 1 142 . 13 1 1 A 14 14 VAL H H 14 8.962 8.957 0.005 1 1 143 . 13 1 1 A 14 14 VAL HA H 14 3.859 3.571 0.288 1 1 151 . 13 1 1 A 14 14 VAL C C 14 174.604 177.936 -3.332 1 1 152 . 13 1 1 A 14 14 VAL CA C 14 62.312 66.174 -3.862 1 1 153 . 13 1 1 A 14 14 VAL CB C 14 32.509 31.802 0.707 1 1 156 . 13 1 1 A 14 14 VAL N N 14 126.968 122.179 4.789 1 1 157 . 13 1 1 A 15 15 GLY H H 15 7.838 7.987 -0.149 1 1 158 . 13 1 1 A 15 15 GLY HA2 H 15 5.132 3.941 1.191 1 1 159 . 13 1 1 A 15 15 GLY HA3 H 15 3.730 3.972 -0.242 1 1 160 . 13 1 1 A 15 15 GLY C C 15 174.542 174.264 0.278 1 1 161 . 13 1 1 A 15 15 GLY CA C 15 43.446 45.538 -2.092 1 1 162 . 13 1 1 A 15 15 GLY N N 15 110.596 107.630 2.966 1 1 163 . 13 1 1 A 16 16 GLN H H 16 8.247 8.002 0.245 1 1 164 . 13 1 1 A 16 16 GLN HA H 16 4.347 3.886 0.461 1 1 171 . 13 1 1 A 16 16 GLN C C 16 174.876 174.842 0.034 1 1 172 . 13 1 1 A 16 16 GLN CA C 16 54.656 57.859 -3.203 1 1 173 . 13 1 1 A 16 16 GLN CB C 16 30.321 27.169 3.152 1 1 175 . 13 1 1 A 16 16 GLN N N 16 120.522 114.806 5.716 1 1 177 . 13 1 1 A 17 17 GLU H H 17 8.149 8.581 -0.432 1 1 178 . 13 1 1 A 17 17 GLU HA H 17 3.938 4.850 -0.912 1 1 183 . 13 1 1 A 17 17 GLU C C 17 176.607 175.931 0.676 1 1 184 . 13 1 1 A 17 17 GLU CA C 17 57.117 54.919 2.198 1 1 185 . 13 1 1 A 17 17 GLU CB C 17 30.321 32.579 -2.258 1 1 187 . 13 1 1 A 17 17 GLU N N 17 123.616 123.263 0.353 1 1 188 . 13 1 1 A 18 18 VAL H H 18 8.605 8.920 -0.315 1 1 189 . 13 1 1 A 18 18 VAL HA H 18 4.047 4.340 -0.293 1 1 197 . 13 1 1 A 18 18 VAL C C 18 174.386 175.385 -0.999 1 1 198 . 13 1 1 A 18 18 VAL CA C 18 61.765 61.309 0.456 1 1 199 . 13 1 1 A 18 18 VAL CB C 18 32.782 33.113 -0.331 1 1 202 . 13 1 1 A 18 18 VAL N N 18 125.936 125.110 0.826 1 1 203 . 13 1 1 A 19 19 LYS H H 19 8.461 8.941 -0.480 1 1 204 . 13 1 1 A 19 19 LYS HA H 19 4.624 5.011 -0.387 1 1 213 . 13 1 1 A 19 19 LYS C C 19 176.457 174.833 1.624 1 1 214 . 13 1 1 A 19 19 LYS CA C 19 53.562 54.351 -0.789 1 1 215 . 13 1 1 A 19 19 LYS CB C 19 34.423 36.185 -1.762 1 1 219 . 13 1 1 A 19 19 LYS N N 19 123.874 118.186 5.688 1 1 220 . 13 1 1 A 20 20 VAL H H 20 8.349 8.455 -0.106 1 1 221 . 13 1 1 A 20 20 VAL HA H 20 3.421 3.838 -0.417 1 1 229 . 13 1 1 A 20 20 VAL C C 20 177.624 176.961 0.663 1 1 230 . 13 1 1 A 20 20 VAL CA C 20 65.593 63.467 2.126 1 1 231 . 13 1 1 A 20 20 VAL CB C 20 31.415 31.549 -0.134 1 1 234 . 13 1 1 A 20 20 VAL N N 20 120.393 122.144 -1.751 1 1 235 . 13 1 1 A 21 21 GLY H H 21 9.338 9.396 -0.058 1 1 236 . 13 1 1 A 21 21 GLY HA2 H 21 4.566 4.032 0.534 1 1 237 . 13 1 1 A 21 21 GLY HA3 H 21 3.536 4.037 -0.501 1 1 238 . 13 1 1 A 21 21 GLY C C 21 174.160 174.812 -0.652 1 1 239 . 13 1 1 A 21 21 GLY CA C 21 44.539 45.462 -0.923 1 1 240 . 13 1 1 A 21 21 GLY N N 21 117.429 117.100 0.329 1 1 241 . 13 1 1 A 22 22 ASP H H 22 8.222 7.906 0.316 1 1 242 . 13 1 1 A 22 22 ASP HA H 22 4.650 4.544 0.106 1 1 245 . 13 1 1 A 22 22 ASP C C 22 176.231 176.010 0.221 1 1 246 . 13 1 1 A 22 22 ASP CA C 22 54.382 55.209 -0.827 1 1 247 . 13 1 1 A 22 22 ASP CB C 22 40.985 41.389 -0.404 1 1 248 . 13 1 1 A 22 22 ASP N N 22 121.811 121.561 0.250 1 1 249 . 13 1 1 A 23 23 GLN H H 23 8.598 7.971 0.627 1 1 250 . 13 1 1 A 23 23 GLN HA H 23 4.224 3.995 0.229 1 1 257 . 13 1 1 A 23 23 GLN C C 23 175.892 174.665 1.227 1 1 258 . 13 1 1 A 23 23 GLN CA C 23 55.203 56.593 -1.390 1 1 259 . 13 1 1 A 23 23 GLN CB C 23 28.954 27.165 1.789 1 1 261 . 13 1 1 A 23 23 GLN N N 23 119.491 118.029 1.462 1 1 263 . 13 1 1 A 24 24 ALA H H 24 8.664 8.128 0.536 1 1 264 . 13 1 1 A 24 24 ALA HA H 24 4.030 3.926 0.104 1 1 268 . 13 1 1 A 24 24 ALA C C 24 174.386 175.556 -1.170 1 1 269 . 13 1 1 A 24 24 ALA CA C 24 51.101 50.521 0.580 1 1 270 . 13 1 1 A 24 24 ALA CB C 24 19.111 18.317 0.794 1 1 271 . 13 1 1 A 24 24 ALA N N 24 129.804 128.907 0.897 1 1 272 . 13 1 1 A 25 25 PRO HA H 25 4.422 4.514 -0.092 1 1 279 . 13 1 1 A 25 25 PRO C C 25 173.596 176.125 -2.529 1 1 280 . 13 1 1 A 25 25 PRO CA C 25 61.765 62.415 -0.650 1 1 281 . 13 1 1 A 25 25 PRO CB C 25 32.509 31.695 0.814 1 1 284 . 13 1 1 A 26 26 ASP H H 26 7.546 8.657 -1.111 1 1 285 . 13 1 1 A 26 26 ASP HA H 26 4.411 4.775 -0.364 1 1 288 . 13 1 1 A 26 26 ASP C C 26 175.591 174.917 0.674 1 1 289 . 13 1 1 A 26 26 ASP CA C 26 54.656 53.020 1.636 1 1 290 . 13 1 1 A 26 26 ASP CB C 26 42.625 39.204 3.421 1 1 291 . 13 1 1 A 26 26 ASP N N 26 114.979 122.565 -7.586 1 1 292 . 13 1 1 A 27 27 PHE H H 27 7.379 8.603 -1.224 1 1 293 . 13 1 1 A 27 27 PHE HA H 27 4.659 4.952 -0.293 1 1 295 . 13 1 1 A 27 27 PHE C C 27 173.407 175.956 -2.549 1 1 296 . 13 1 1 A 27 27 PHE CA C 27 56.570 57.259 -0.689 1 1 297 . 13 1 1 A 27 27 PHE CB C 27 39.891 41.542 -1.651 1 1 298 . 13 1 1 A 27 27 PHE N N 27 113.561 124.342 -10.781 1 1 299 . 13 1 1 A 28 28 THR H H 28 8.540 8.654 -0.114 1 1 300 . 13 1 1 A 28 28 THR HA H 28 4.936 4.693 0.243 1 1 305 . 13 1 1 A 28 28 THR C C 28 173.443 174.478 -1.035 1 1 306 . 13 1 1 A 28 28 THR CA C 28 62.889 61.424 1.465 1 1 307 . 13 1 1 A 28 28 THR CB C 28 72.155 69.978 2.177 1 1 309 . 13 1 1 A 28 28 THR N N 28 114.593 115.485 -0.892 1 1 310 . 13 1 1 A 29 29 VAL H H 29 9.120 8.873 0.247 1 1 311 . 13 1 1 A 29 29 VAL HA H 29 4.863 5.017 -0.154 1 1 319 . 13 1 1 A 29 29 VAL C C 29 173.558 173.580 -0.022 1 1 320 . 13 1 1 A 29 29 VAL CA C 29 59.527 59.259 0.268 1 1 321 . 13 1 1 A 29 29 VAL CB C 29 35.243 36.377 -1.134 1 1 324 . 13 1 1 A 29 29 VAL N N 29 119.233 116.404 2.829 1 1 325 . 13 1 1 A 30 30 LEU H H 30 8.565 8.605 -0.040 1 1 326 . 13 1 1 A 30 30 LEU HA H 30 5.615 5.290 0.325 1 1 336 . 13 1 1 A 30 30 LEU C C 30 180.310 175.876 4.434 1 1 337 . 13 1 1 A 30 30 LEU CA C 30 53.562 53.650 -0.088 1 1 338 . 13 1 1 A 30 30 LEU CB C 30 47.547 46.019 1.528 1 1 342 . 13 1 1 A 30 30 LEU N N 30 117.429 123.742 -6.313 1 1 343 . 13 1 1 A 31 31 THR H H 31 9.587 8.747 0.840 1 1 344 . 13 1 1 A 31 31 THR HA H 31 4.741 4.662 0.079 1 1 349 . 13 1 1 A 31 31 THR C C 31 176.457 175.606 0.851 1 1 350 . 13 1 1 A 31 31 THR CA C 31 60.632 60.387 0.245 1 1 351 . 13 1 1 A 31 31 THR CB C 31 71.451 71.436 0.015 1 1 353 . 13 1 1 A 31 31 THR N N 31 114.721 114.705 0.016 1 1 354 . 13 1 1 A 32 32 ASN H H 32 9.812 8.648 1.164 1 1 355 . 13 1 1 A 32 32 ASN HA H 32 4.352 4.434 -0.082 1 1 358 . 13 1 1 A 32 32 ASN C C 32 175.252 176.953 -1.701 1 1 359 . 13 1 1 A 32 32 ASN CA C 32 55.476 55.997 -0.521 1 1 360 . 13 1 1 A 32 32 ASN CB C 32 38.524 38.142 0.382 1 1 361 . 13 1 1 A 32 32 ASN N N 32 118.460 120.707 -2.247 1 1 362 . 13 1 1 A 33 33 SER H H 33 7.782 7.761 0.021 1 1 363 . 13 1 1 A 33 33 SER HA H 33 4.562 4.541 0.021 1 1 366 . 13 1 1 A 33 33 SER C C 33 173.822 173.256 0.566 1 1 367 . 13 1 1 A 33 33 SER CA C 33 57.390 58.355 -0.965 1 1 368 . 13 1 1 A 33 33 SER CB C 33 62.859 63.327 -0.468 1 1 369 . 13 1 1 A 33 33 SER N N 33 110.725 111.920 -1.195 1 1 370 . 13 1 1 A 34 34 LEU H H 34 8.342 8.070 0.272 1 1 371 . 13 1 1 A 34 34 LEU HA H 34 3.686 3.832 -0.146 1 1 381 . 13 1 1 A 34 34 LEU C C 34 175.516 175.042 0.474 1 1 382 . 13 1 1 A 34 34 LEU CA C 34 57.117 56.349 0.768 1 1 383 . 13 1 1 A 34 34 LEU CB C 34 37.430 39.792 -2.362 1 1 387 . 13 1 1 A 34 34 LEU N N 34 116.913 119.456 -2.543 1 1 388 . 13 1 1 A 35 35 GLU H H 35 7.538 7.595 -0.057 1 1 389 . 13 1 1 A 35 35 GLU HA H 35 4.546 4.831 -0.285 1 1 394 . 13 1 1 A 35 35 GLU C C 35 176.005 175.008 0.997 1 1 395 . 13 1 1 A 35 35 GLU CA C 35 54.929 54.558 0.371 1 1 396 . 13 1 1 A 35 35 GLU CB C 35 30.868 32.799 -1.931 1 1 398 . 13 1 1 A 35 35 GLU N N 35 117.429 115.079 2.350 1 1 399 . 13 1 1 A 36 36 GLU H H 36 8.681 8.512 0.169 1 1 400 . 13 1 1 A 36 36 GLU HA H 36 4.740 4.522 0.218 1 1 405 . 13 1 1 A 36 36 GLU C C 36 176.833 176.018 0.815 1 1 406 . 13 1 1 A 36 36 GLU CA C 36 56.923 57.249 -0.326 1 1 407 . 13 1 1 A 36 36 GLU CB C 36 30.868 30.348 0.520 1 1 409 . 13 1 1 A 36 36 GLU N N 36 121.296 122.065 -0.769 1 1 410 . 13 1 1 A 37 37 LYS H H 37 9.122 8.288 0.834 1 1 411 . 13 1 1 A 37 37 LYS HA H 37 4.639 4.996 -0.357 1 1 420 . 13 1 1 A 37 37 LYS C C 37 173.671 173.909 -0.238 1 1 421 . 13 1 1 A 37 37 LYS CA C 37 55.476 55.422 0.054 1 1 422 . 13 1 1 A 37 37 LYS CB C 37 35.243 36.577 -1.334 1 1 426 . 13 1 1 A 37 37 LYS N N 37 125.292 123.052 2.240 1 1 427 . 13 1 1 A 38 38 SER H H 38 9.337 8.831 0.506 1 1 428 . 13 1 1 A 38 38 SER HA H 38 5.310 5.049 0.261 1 1 431 . 13 1 1 A 38 38 SER C C 38 175.102 174.594 0.508 1 1 432 . 13 1 1 A 38 38 SER CA C 38 56.296 57.367 -1.071 1 1 433 . 13 1 1 A 38 38 SER CB C 38 67.233 67.319 -0.086 1 1 434 . 13 1 1 A 38 38 SER N N 38 121.811 119.286 2.525 1 1 435 . 13 1 1 A 39 39 LEU H H 39 7.023 8.737 -1.714 1 1 436 . 13 1 1 A 39 39 LEU HA H 39 3.872 4.198 -0.326 1 1 446 . 13 1 1 A 39 39 LEU C C 39 179.845 178.544 1.301 1 1 447 . 13 1 1 A 39 39 LEU CA C 39 58.210 58.335 -0.125 1 1 448 . 13 1 1 A 39 39 LEU CB C 39 40.711 41.965 -1.254 1 1 452 . 13 1 1 A 39 39 LEU N N 39 121.811 127.740 -5.929 1 1 453 . 13 1 1 A 40 40 ALA H H 40 8.447 8.516 -0.069 1 1 454 . 13 1 1 A 40 40 ALA HA H 40 3.890 4.081 -0.191 1 1 458 . 13 1 1 A 40 40 ALA C C 40 179.995 179.984 0.011 1 1 459 . 13 1 1 A 40 40 ALA CA C 40 55.203 54.752 0.451 1 1 460 . 13 1 1 A 40 40 ALA CB C 40 18.291 18.224 0.067 1 1 461 . 13 1 1 A 40 40 ALA N N 40 119.362 120.764 -1.402 1 1 462 . 13 1 1 A 41 41 ASP H H 41 7.517 8.355 -0.838 1 1 463 . 13 1 1 A 41 41 ASP HA H 41 4.469 4.393 0.076 1 1 466 . 13 1 1 A 41 41 ASP C C 41 176.720 178.636 -1.916 1 1 467 . 13 1 1 A 41 41 ASP CA C 41 56.296 56.840 -0.544 1 1 468 . 13 1 1 A 41 41 ASP CB C 41 42.079 40.734 1.345 1 1 469 . 13 1 1 A 41 41 ASP N N 41 114.850 118.901 -4.051 1 1 470 . 13 1 1 A 42 42 MET H H 42 7.989 7.994 -0.005 1 1 471 . 13 1 1 A 42 42 MET HA H 42 4.336 4.467 -0.131 1 1 479 . 13 1 1 A 42 42 MET C C 42 175.440 177.208 -1.768 1 1 480 . 13 1 1 A 42 42 MET CA C 42 56.843 58.236 -1.393 1 1 481 . 13 1 1 A 42 42 MET CB C 42 31.962 32.408 -0.446 1 1 484 . 13 1 1 A 42 42 MET N N 42 118.847 116.084 2.763 1 1 485 . 13 1 1 A 43 43 LYS H H 43 6.901 7.348 -0.447 1 1 486 . 13 1 1 A 43 43 LYS HA H 43 4.265 4.295 -0.030 1 1 494 . 13 1 1 A 43 43 LYS C C 43 177.435 177.524 -0.089 1 1 495 . 13 1 1 A 43 43 LYS CA C 43 57.664 58.489 -0.825 1 1 496 . 13 1 1 A 43 43 LYS CB C 43 33.329 32.469 0.860 1 1 500 . 13 1 1 A 43 43 LYS N N 43 116.913 119.680 -2.767 1 1 501 . 13 1 1 A 44 44 GLY H H 44 9.268 9.139 0.129 1 1 502 . 13 1 1 A 44 44 GLY HA2 H 44 3.692 4.015 -0.323 1 1 503 . 13 1 1 A 44 44 GLY HA3 H 44 4.596 4.016 0.580 1 1 504 . 13 1 1 A 44 44 GLY C C 44 173.671 173.296 0.375 1 1 505 . 13 1 1 A 44 44 GLY CA C 44 44.813 45.018 -0.205 1 1 506 . 13 1 1 A 44 44 GLY N N 44 111.112 112.192 -1.080 1 1 507 . 13 1 1 A 45 45 LYS H H 45 7.516 7.819 -0.303 1 1 508 . 13 1 1 A 45 45 LYS HA H 45 4.754 4.866 -0.112 1 1 515 . 13 1 1 A 45 45 LYS C C 45 175.214 174.643 0.571 1 1 516 . 13 1 1 A 45 45 LYS CA C 45 54.820 55.032 -0.212 1 1 517 . 13 1 1 A 45 45 LYS CB C 45 36.883 35.933 0.950 1 1 521 . 13 1 1 A 45 45 LYS N N 45 117.944 121.189 -3.245 1 1 522 . 13 1 1 A 46 46 VAL H H 46 8.887 8.629 0.258 1 1 523 . 13 1 1 A 46 46 VAL HA H 46 3.950 4.358 -0.408 1 1 531 . 13 1 1 A 46 46 VAL C C 46 174.876 175.327 -0.451 1 1 532 . 13 1 1 A 46 46 VAL CA C 46 64.773 63.294 1.479 1 1 533 . 13 1 1 A 46 46 VAL CB C 46 31.962 32.297 -0.335 1 1 536 . 13 1 1 A 46 46 VAL N N 46 124.776 124.946 -0.170 1 1 537 . 13 1 1 A 47 47 THR H H 47 8.956 8.876 0.080 1 1 538 . 13 1 1 A 47 47 THR HA H 47 5.300 5.334 -0.034 1 1 543 . 13 1 1 A 47 47 THR C C 47 172.579 173.503 -0.924 1 1 544 . 13 1 1 A 47 47 THR CA C 47 62.312 61.313 0.999 1 1 545 . 13 1 1 A 47 47 THR CB C 47 73.249 72.323 0.926 1 1 547 . 13 1 1 A 47 47 THR N N 47 124.132 121.922 2.210 1 1 548 . 13 1 1 A 48 48 ILE H H 48 9.160 9.065 0.095 1 1 549 . 13 1 1 A 48 48 ILE HA H 48 4.740 4.991 -0.251 1 1 559 . 13 1 1 A 48 48 ILE C C 48 173.972 175.364 -1.392 1 1 560 . 13 1 1 A 48 48 ILE CA C 48 61.441 60.073 1.368 1 1 561 . 13 1 1 A 48 48 ILE CB C 48 40.438 41.948 -1.510 1 1 565 . 13 1 1 A 48 48 ILE N N 48 128.515 124.739 3.776 1 1 566 . 13 1 1 A 49 49 ILE H H 49 9.507 9.063 0.444 1 1 567 . 13 1 1 A 49 49 ILE HA H 49 4.883 4.991 -0.108 1 1 577 . 13 1 1 A 49 49 ILE C C 49 174.650 175.097 -0.447 1 1 578 . 13 1 1 A 49 49 ILE CA C 49 60.773 60.448 0.325 1 1 579 . 13 1 1 A 49 49 ILE CB C 49 41.532 41.193 0.339 1 1 583 . 13 1 1 A 49 49 ILE N N 49 126.194 127.640 -1.446 1 1 584 . 13 1 1 A 50 50 SER H H 50 9.079 9.176 -0.097 1 1 585 . 13 1 1 A 50 50 SER HA H 50 5.138 5.217 -0.079 1 1 588 . 13 1 1 A 50 50 SER C C 50 172.692 173.408 -0.716 1 1 589 . 13 1 1 A 50 50 SER CA C 50 56.843 58.360 -1.517 1 1 590 . 13 1 1 A 50 50 SER CB C 50 64.773 64.825 -0.052 1 1 591 . 13 1 1 A 50 50 SER N N 50 121.940 124.256 -2.316 1 1 592 . 13 1 1 A 51 51 VAL H H 51 9.010 8.852 0.158 1 1 593 . 13 1 1 A 51 51 VAL HA H 51 4.873 5.040 -0.167 1 1 601 . 13 1 1 A 51 51 VAL CA C 51 61.595 60.966 0.629 1 1 602 . 13 1 1 A 51 51 VAL CB C 51 32.509 35.456 -2.947 1 1 605 . 13 1 1 A 51 51 VAL N N 51 128.128 122.826 5.302 1 1 606 . 13 1 1 A 52 52 ILE H H 52 8.182 8.797 -0.615 1 1 607 . 13 1 1 A 52 52 ILE HA H 52 4.862 4.848 0.014 1 1 616 . 13 1 1 A 52 52 ILE CA C 52 58.026 57.257 0.769 1 1 617 . 13 1 1 A 52 52 ILE CB C 52 43.172 40.236 2.936 1 1 621 . 13 1 1 A 52 52 ILE N N 52 124.776 122.832 1.944 1 1 622 . 13 1 1 A 53 53 PRO HA H 53 4.904 4.710 0.194 1 1 629 . 13 1 1 A 53 53 PRO CA C 53 65.560 64.776 0.784 1 1 630 . 13 1 1 A 53 53 PRO CB C 53 31.826 32.512 -0.686 1 1 633 . 13 1 1 A 54 54 SER H H 54 7.214 7.749 -0.535 1 1 634 . 13 1 1 A 54 54 SER HA H 54 5.100 5.037 0.063 1 1 637 . 13 1 1 A 54 54 SER CA C 54 57.417 57.531 -0.114 1 1 638 . 13 1 1 A 54 54 SER CB C 54 65.195 67.744 -2.549 1 1 639 . 13 1 1 A 54 54 SER N N 54 107.901 113.062 -5.161 1 1 640 . 13 1 1 A 55 55 ILE H H 55 7.330 8.667 -1.337 1 1 641 . 13 1 1 A 55 55 ILE HA H 55 5.075 4.437 0.638 1 1 651 . 13 1 1 A 55 55 ILE CA C 55 61.734 61.432 0.302 1 1 652 . 13 1 1 A 55 55 ILE CB C 55 36.233 40.127 -3.894 1 1 656 . 13 1 1 A 56 56 ASP H H 56 8.699 8.197 0.502 1 1 657 . 13 1 1 A 56 56 ASP HA H 56 5.075 4.444 0.631 1 1 660 . 13 1 1 A 56 56 ASP CA C 56 54.407 56.508 -2.101 1 1 661 . 13 1 1 A 56 56 ASP CB C 56 42.832 41.013 1.819 1 1 662 . 13 1 1 A 56 56 ASP N N 56 121.940 121.579 0.361 1 1 663 . 13 1 1 A 57 57 THR H H 57 7.294 7.659 -0.365 1 1 664 . 13 1 1 A 57 57 THR HA H 57 4.323 4.271 0.052 1 1 669 . 13 1 1 A 57 57 THR C C 57 175.440 175.877 -0.437 1 1 670 . 13 1 1 A 57 57 THR CA C 57 61.765 61.816 -0.051 1 1 671 . 13 1 1 A 57 57 THR CB C 57 69.421 69.958 -0.537 1 1 673 . 13 1 1 A 57 57 THR N N 57 108.921 110.375 -1.454 1 1 674 . 13 1 1 A 58 58 GLY H H 58 8.215 8.884 -0.669 1 1 675 . 13 1 1 A 58 58 GLY HA2 H 58 4.012 3.856 0.156 1 1 676 . 13 1 1 A 58 58 GLY HA3 H 58 4.012 3.859 0.153 1 1 677 . 13 1 1 A 58 58 GLY C C 58 173.520 176.028 -2.508 1 1 678 . 13 1 1 A 58 58 GLY CA C 58 45.360 46.810 -1.450 1 1 679 . 13 1 1 A 58 58 GLY N N 58 110.969 110.418 0.551 1 1 680 . 13 1 1 A 59 59 VAL H H 59 7.976 8.045 -0.069 1 1 681 . 13 1 1 A 59 59 VAL HA H 59 4.307 3.869 0.438 1 1 689 . 13 1 1 A 59 59 VAL C C 59 175.854 177.825 -1.971 1 1 690 . 13 1 1 A 59 59 VAL CA C 59 61.765 65.233 -3.468 1 1 691 . 13 1 1 A 59 59 VAL CB C 59 33.329 31.121 2.208 1 1 694 . 13 1 1 A 59 59 VAL N N 59 118.501 118.979 -0.478 1 1 696 . 13 1 1 A 61 61 ASP HA H 61 4.323 4.912 -0.589 1 1 697 . 13 1 1 A 61 61 ASP CA C 61 54.382 54.688 -0.306 1 1 698 . 13 1 1 A 61 61 ASP CB C 61 39.142 42.993 -3.851 1 1 699 . 13 1 1 A 62 62 ALA H H 62 8.663 8.215 0.448 1 1 700 . 13 1 1 A 62 62 ALA HA H 62 3.971 4.007 -0.036 1 1 704 . 13 1 1 A 62 62 ALA C C 62 180.485 177.853 2.632 1 1 705 . 13 1 1 A 62 62 ALA CA C 62 55.203 54.470 0.733 1 1 706 . 13 1 1 A 62 62 ALA CB C 62 18.838 18.665 0.173 1 1 707 . 13 1 1 A 63 63 GLN H H 63 8.550 7.982 0.568 1 1 708 . 13 1 1 A 63 63 GLN HA H 63 3.865 4.492 -0.627 1 1 715 . 13 1 1 A 63 63 GLN C C 63 178.527 177.603 0.924 1 1 716 . 13 1 1 A 63 63 GLN CA C 63 59.346 57.176 2.170 1 1 717 . 13 1 1 A 63 63 GLN CB C 63 28.635 31.495 -2.860 1 1 719 . 13 1 1 A 63 63 GLN N N 63 117.429 116.855 0.574 1 1 721 . 13 1 1 A 64 64 THR H H 64 8.121 7.767 0.354 1 1 722 . 13 1 1 A 64 64 THR HA H 64 3.624 3.854 -0.230 1 1 727 . 13 1 1 A 64 64 THR C C 64 178.527 176.329 2.198 1 1 728 . 13 1 1 A 64 64 THR CA C 64 66.686 67.355 -0.669 1 1 729 . 13 1 1 A 64 64 THR CB C 64 68.600 68.217 0.383 1 1 731 . 13 1 1 A 64 64 THR N N 64 118.460 116.271 2.189 1 1 732 . 13 1 1 A 65 65 ARG H H 65 7.530 8.138 -0.608 1 1 733 . 13 1 1 A 65 65 ARG HA H 65 3.904 4.034 -0.130 1 1 739 . 13 1 1 A 65 65 ARG CA C 65 59.507 59.898 -0.391 1 1 740 . 13 1 1 A 65 65 ARG CB C 65 29.637 29.897 -0.260 1 1 743 . 13 1 1 A 66 66 ARG H H 66 7.972 7.633 0.339 1 1 744 . 13 1 1 A 66 66 ARG HA H 66 4.056 3.834 0.222 1 1 751 . 13 1 1 A 66 66 ARG C C 66 177.624 178.141 -0.517 1 1 752 . 13 1 1 A 66 66 ARG CA C 66 59.031 58.778 0.253 1 1 753 . 13 1 1 A 66 66 ARG CB C 66 29.228 29.526 -0.298 1 1 756 . 13 1 1 A 66 66 ARG N N 66 118.460 119.343 -0.883 1 1 757 . 13 1 1 A 67 67 PHE H H 67 7.673 8.183 -0.510 1 1 758 . 13 1 1 A 67 67 PHE HA H 67 4.260 3.762 0.498 1 1 763 . 13 1 1 A 67 67 PHE C C 67 176.043 177.305 -1.262 1 1 764 . 13 1 1 A 67 67 PHE CA C 67 60.945 60.631 0.314 1 1 765 . 13 1 1 A 67 67 PHE CB C 67 39.071 38.846 0.225 1 1 766 . 13 1 1 A 67 67 PHE N N 67 119.362 120.179 -0.817 1 1 767 . 13 1 1 A 68 68 ASN H H 68 7.688 8.223 -0.535 1 1 768 . 13 1 1 A 68 68 ASN HA H 68 4.150 3.882 0.268 1 1 771 . 13 1 1 A 68 68 ASN C C 68 177.172 177.910 -0.738 1 1 772 . 13 1 1 A 68 68 ASN CA C 68 55.750 55.564 0.186 1 1 773 . 13 1 1 A 68 68 ASN CB C 68 37.977 37.713 0.264 1 1 774 . 13 1 1 A 68 68 ASN N N 68 117.042 117.519 -0.477 1 1 775 . 13 1 1 A 69 69 GLU H H 69 8.185 8.506 -0.321 1 1 776 . 13 1 1 A 69 69 GLU HA H 69 3.848 3.958 -0.110 1 1 781 . 13 1 1 A 69 69 GLU C C 69 179.468 178.889 0.579 1 1 782 . 13 1 1 A 69 69 GLU CA C 69 59.577 59.454 0.123 1 1 783 . 13 1 1 A 69 69 GLU CB C 69 30.321 29.140 1.181 1 1 785 . 13 1 1 A 69 69 GLU N N 69 118.975 119.923 -0.948 1 1 786 . 13 1 1 A 70 70 GLU H H 70 8.671 7.763 0.908 1 1 787 . 13 1 1 A 70 70 GLU HA H 70 3.807 3.987 -0.180 1 1 792 . 13 1 1 A 70 70 GLU C C 70 179.468 178.858 0.610 1 1 793 . 13 1 1 A 70 70 GLU CA C 70 58.757 58.891 -0.134 1 1 794 . 13 1 1 A 70 70 GLU CB C 70 29.501 29.879 -0.378 1 1 796 . 13 1 1 A 70 70 GLU N N 70 118.975 119.428 -0.453 1 1 797 . 13 1 1 A 71 71 ALA H H 71 8.418 8.175 0.243 1 1 798 . 13 1 1 A 71 71 ALA HA H 71 3.616 3.920 -0.304 1 1 802 . 13 1 1 A 71 71 ALA C C 71 178.226 180.217 -1.991 1 1 803 . 13 1 1 A 71 71 ALA CA C 71 54.656 54.855 -0.199 1 1 804 . 13 1 1 A 71 71 ALA CB C 71 18.017 17.634 0.383 1 1 805 . 13 1 1 A 71 71 ALA N N 71 122.069 122.917 -0.848 1 1 806 . 13 1 1 A 72 72 ALA H H 72 7.520 8.062 -0.542 1 1 807 . 13 1 1 A 72 72 ALA HA H 72 3.842 4.000 -0.158 1 1 811 . 13 1 1 A 72 72 ALA C C 72 179.280 177.976 1.304 1 1 812 . 13 1 1 A 72 72 ALA CA C 72 54.109 53.964 0.145 1 1 813 . 13 1 1 A 72 72 ALA CB C 72 18.564 18.251 0.313 1 1 814 . 13 1 1 A 72 72 ALA N N 72 116.139 119.477 -3.338 1 1 815 . 13 1 1 A 73 73 LYS H H 73 7.302 7.811 -0.509 1 1 816 . 13 1 1 A 73 73 LYS HA H 73 4.129 4.517 -0.388 1 1 825 . 13 1 1 A 73 73 LYS C C 73 177.661 177.666 -0.005 1 1 826 . 13 1 1 A 73 73 LYS CA C 73 57.116 56.569 0.547 1 1 827 . 13 1 1 A 73 73 LYS CB C 73 32.782 32.999 -0.217 1 1 831 . 13 1 1 A 73 73 LYS N N 73 114.850 114.609 0.241 1 1 832 . 13 1 1 A 74 74 LEU H H 74 7.398 7.603 -0.205 1 1 833 . 13 1 1 A 74 74 LEU HA H 74 3.983 4.023 -0.040 1 1 843 . 13 1 1 A 74 74 LEU C C 74 177.021 176.908 0.113 1 1 844 . 13 1 1 A 74 74 LEU CA C 74 56.843 57.196 -0.353 1 1 845 . 13 1 1 A 74 74 LEU CB C 74 42.625 42.735 -0.110 1 1 849 . 13 1 1 A 74 74 LEU N N 74 118.460 119.736 -1.276 1 1 850 . 13 1 1 A 75 75 GLY H H 75 7.174 7.313 -0.139 1 1 851 . 13 1 1 A 75 75 GLY HA2 H 75 4.215 4.036 0.179 1 1 852 . 13 1 1 A 75 75 GLY HA3 H 75 3.630 4.038 -0.408 1 1 853 . 13 1 1 A 75 75 GLY C C 75 172.805 173.833 -1.028 1 1 854 . 13 1 1 A 75 75 GLY CA C 75 45.360 45.608 -0.248 1 1 855 . 13 1 1 A 75 75 GLY N N 75 102.991 104.116 -1.125 1 1 856 . 13 1 1 A 76 76 ASP H H 76 8.825 8.579 0.246 1 1 857 . 13 1 1 A 76 76 ASP HA H 76 4.766 4.704 0.062 1 1 860 . 13 1 1 A 76 76 ASP C C 76 173.749 175.467 -1.718 1 1 861 . 13 1 1 A 76 76 ASP CA C 76 53.708 53.772 -0.064 1 1 862 . 13 1 1 A 76 76 ASP CB C 76 39.071 40.364 -1.293 1 1 863 . 13 1 1 A 76 76 ASP N N 76 126.839 120.609 6.230 1 1 864 . 13 1 1 A 77 77 VAL H H 77 7.511 7.415 0.096 1 1 865 . 13 1 1 A 77 77 VAL HA H 77 4.772 4.123 0.649 1 1 873 . 13 1 1 A 77 77 VAL C C 77 175.629 175.725 -0.096 1 1 874 . 13 1 1 A 77 77 VAL CA C 77 58.959 62.004 -3.045 1 1 875 . 13 1 1 A 77 77 VAL CB C 77 34.970 32.560 2.410 1 1 878 . 13 1 1 A 77 77 VAL N N 77 115.615 117.783 -2.168 1 1 879 . 13 1 1 A 78 78 ASN H H 78 8.822 8.479 0.343 1 1 880 . 13 1 1 A 78 78 ASN HA H 78 4.820 4.649 0.171 1 1 885 . 13 1 1 A 78 78 ASN C C 78 174.047 175.316 -1.269 1 1 886 . 13 1 1 A 78 78 ASN CA C 78 52.085 53.893 -1.808 1 1 887 . 13 1 1 A 78 78 ASN CB C 78 40.438 38.703 1.735 1 1 888 . 13 1 1 A 78 78 ASN N N 78 120.393 122.512 -2.119 1 1 890 . 13 1 1 A 79 79 VAL H H 79 8.044 8.339 -0.295 1 1 891 . 13 1 1 A 79 79 VAL HA H 79 4.669 4.917 -0.248 1 1 899 . 13 1 1 A 79 79 VAL C C 79 174.123 173.558 0.565 1 1 900 . 13 1 1 A 79 79 VAL CA C 79 61.491 60.021 1.470 1 1 901 . 13 1 1 A 79 79 VAL CB C 79 33.329 34.821 -1.492 1 1 904 . 13 1 1 A 79 79 VAL N N 79 122.456 117.471 4.985 1 1 905 . 13 1 1 A 80 80 TYR H H 80 8.944 8.832 0.112 1 1 906 . 13 1 1 A 80 80 TYR HA H 80 6.170 5.313 0.857 1 1 911 . 13 1 1 A 80 80 TYR C C 80 177.210 175.283 1.927 1 1 912 . 13 1 1 A 80 80 TYR CA C 80 54.929 55.872 -0.943 1 1 913 . 13 1 1 A 80 80 TYR CB C 80 42.899 42.780 0.119 1 1 914 . 13 1 1 A 80 80 TYR N N 80 123.229 123.927 -0.698 1 1 915 . 13 1 1 A 81 81 THR H H 81 8.465 8.682 -0.217 1 1 916 . 13 1 1 A 81 81 THR HA H 81 5.652 5.144 0.508 1 1 921 . 13 1 1 A 81 81 THR C C 81 172.880 173.517 -0.637 1 1 922 . 13 1 1 A 81 81 THR CA C 81 62.038 61.562 0.476 1 1 923 . 13 1 1 A 81 81 THR CB C 81 71.608 71.109 0.499 1 1 925 . 13 1 1 A 81 81 THR N N 81 119.491 115.882 3.609 1 1 926 . 13 1 1 A 82 82 ILE H H 82 8.958 9.299 -0.341 1 1 927 . 13 1 1 A 82 82 ILE HA H 82 5.145 4.335 0.810 1 1 937 . 13 1 1 A 82 82 ILE C C 82 174.123 175.325 -1.202 1 1 938 . 13 1 1 A 82 82 ILE CA C 82 59.847 61.596 -1.749 1 1 939 . 13 1 1 A 82 82 ILE CB C 82 39.618 37.681 1.937 1 1 943 . 13 1 1 A 82 82 ILE N N 82 125.550 128.653 -3.103 1 1 944 . 13 1 1 A 83 83 SER H H 83 7.731 8.913 -1.182 1 1 945 . 13 1 1 A 83 83 SER HA H 83 4.909 5.254 -0.345 1 1 948 . 13 1 1 A 83 83 SER C C 83 173.182 173.567 -0.385 1 1 949 . 13 1 1 A 83 83 SER CA C 83 57.034 57.730 -0.696 1 1 950 . 13 1 1 A 83 83 SER CB C 83 68.054 66.800 1.254 1 1 951 . 13 1 1 A 83 83 SER N N 83 117.171 123.012 -5.841 1 1 952 . 13 1 1 A 84 84 ALA H H 84 9.548 8.648 0.900 1 1 953 . 13 1 1 A 84 84 ALA HA H 84 4.177 4.437 -0.260 1 1 957 . 13 1 1 A 84 84 ALA C C 84 175.290 178.158 -2.868 1 1 958 . 13 1 1 A 84 84 ALA CA C 84 51.922 51.977 -0.055 1 1 959 . 13 1 1 A 84 84 ALA CB C 84 19.111 19.962 -0.851 1 1 960 . 13 1 1 A 84 84 ALA N N 84 120.651 125.256 -4.605 1 1 961 . 13 1 1 A 85 85 ASP H H 85 7.739 8.881 -1.142 1 1 962 . 13 1 1 A 85 85 ASP HA H 85 4.380 4.419 -0.039 1 1 965 . 13 1 1 A 85 85 ASP C C 85 175.591 176.842 -1.251 1 1 966 . 13 1 1 A 85 85 ASP CA C 85 55.136 55.992 -0.856 1 1 967 . 13 1 1 A 85 85 ASP CB C 85 43.011 41.157 1.854 1 1 968 . 13 1 1 A 85 85 ASP N N 85 114.721 120.566 -5.845 1 1 969 . 13 1 1 A 86 86 LEU H H 86 8.475 7.365 1.110 1 1 970 . 13 1 1 A 86 86 LEU HA H 86 3.956 4.103 -0.147 1 1 980 . 13 1 1 A 86 86 LEU CA C 86 54.656 53.567 1.089 1 1 981 . 13 1 1 A 86 86 LEU CB C 86 39.380 41.643 -2.263 1 1 985 . 13 1 1 A 87 87 PRO HA H 87 4.225 4.463 -0.238 1 1 992 . 13 1 1 A 87 87 PRO CA C 87 65.046 63.588 1.458 1 1 993 . 13 1 1 A 87 87 PRO CB C 87 32.264 32.278 -0.014 1 1 996 . 13 1 1 A 88 88 PHE H H 88 5.565 7.050 -1.485 1 1 997 . 13 1 1 A 88 88 PHE HA H 88 4.340 4.417 -0.077 1 1 1000 . 13 1 1 A 88 88 PHE CA C 88 57.664 58.465 -0.801 1 1 1001 . 13 1 1 A 88 88 PHE CB C 88 39.344 38.809 0.535 1 1 1002 . 13 1 1 A 88 88 PHE N N 88 110.725 119.651 -8.926 1 1 1003 . 13 1 1 A 89 89 ALA H H 89 7.381 9.099 -1.718 1 1 1004 . 13 1 1 A 89 89 ALA HA H 89 4.239 4.098 0.141 1 1 1008 . 13 1 1 A 89 89 ALA CA C 89 52.009 53.841 -1.832 1 1 1009 . 13 1 1 A 89 89 ALA CB C 89 19.761 18.407 1.354 1 1 1010 . 13 1 1 A 89 89 ALA N N 89 114.850 126.296 -11.446 1 1 1011 . 13 1 1 A 90 90 GLN H H 90 7.231 8.149 -0.918 1 1 1012 . 13 1 1 A 90 90 GLN HA H 90 3.695 4.173 -0.478 1 1 1018 . 13 1 1 A 90 90 GLN CA C 90 59.578 58.719 0.859 1 1 1019 . 13 1 1 A 90 90 GLN CB C 90 28.728 28.733 -0.005 1 1 1022 . 13 1 1 A 91 91 ALA H H 91 7.741 7.843 -0.102 1 1 1023 . 13 1 1 A 91 91 ALA HA H 91 4.202 4.139 0.063 1 1 1027 . 13 1 1 A 91 91 ALA CA C 91 54.382 53.929 0.453 1 1 1028 . 13 1 1 A 91 91 ALA CB C 91 18.837 18.247 0.590 1 1 1029 . 13 1 1 A 91 91 ALA N N 91 118.589 120.480 -1.891 1 1 1030 . 13 1 1 A 92 92 ARG H H 92 7.354 7.455 -0.101 1 1 1031 . 13 1 1 A 92 92 ARG HA H 92 4.588 3.740 0.848 1 1 1038 . 13 1 1 A 92 92 ARG CA C 92 55.476 54.790 0.686 1 1 1039 . 13 1 1 A 92 92 ARG CB C 92 30.048 31.133 -1.085 1 1 1042 . 13 1 1 A 93 93 TRP H H 93 7.767 7.968 -0.201 1 1 1043 . 13 1 1 A 93 93 TRP HA H 93 4.881 4.303 0.578 1 1 1050 . 13 1 1 A 93 93 TRP CA C 93 57.534 58.089 -0.555 1 1 1051 . 13 1 1 A 93 93 TRP CB C 93 29.501 26.819 2.682 1 1 1052 . 13 1 1 A 93 93 TRP N N 93 121.927 118.870 3.057 1 1 1054 . 13 1 1 A 94 94 CYS HA H 94 3.901 4.309 -0.408 1 1 1057 . 13 1 1 A 94 94 CYS CA C 94 59.577 58.906 0.671 1 1 1058 . 13 1 1 A 94 94 CYS CB C 94 43.446 42.531 0.915 1 1 1059 . 13 1 1 A 95 95 GLY HA2 H 95 5.122 3.984 1.138 1 1 1060 . 13 1 1 A 95 95 GLY HA3 H 95 3.691 4.004 -0.313 1 1 1061 . 13 1 1 A 95 95 GLY CA C 95 45.511 46.423 -0.912 1 1 1062 . 13 1 1 A 96 96 ALA H H 96 7.504 8.128 -0.624 1 1 1063 . 13 1 1 A 96 96 ALA HA H 96 4.412 4.574 -0.162 1 1 1067 . 13 1 1 A 96 96 ALA CA C 96 51.699 51.307 0.392 1 1 1068 . 13 1 1 A 96 96 ALA CB C 96 21.025 21.345 -0.320 1 1 1069 . 13 1 1 A 96 96 ALA N N 96 121.579 119.574 2.005 1 1 1070 . 13 1 1 A 97 97 ASN H H 97 7.345 7.696 -0.351 1 1 1071 . 13 1 1 A 97 97 ASN HA H 97 4.551 4.532 0.019 1 1 1076 . 13 1 1 A 97 97 ASN CA C 97 54.929 55.150 -0.221 1 1 1077 . 13 1 1 A 97 97 ASN CB C 97 39.071 38.146 0.925 1 1 1079 . 13 1 1 A 98 98 GLY H H 98 8.890 9.081 -0.191 1 1 1080 . 13 1 1 A 98 98 GLY HA2 H 98 3.796 4.011 -0.215 1 1 1081 . 13 1 1 A 98 98 GLY HA3 H 98 4.070 4.021 0.049 1 1 1082 . 13 1 1 A 98 98 GLY C C 98 174.160 175.669 -1.509 1 1 1083 . 13 1 1 A 98 98 GLY CA C 98 45.841 45.428 0.413 1 1 1084 . 13 1 1 A 99 99 ILE H H 99 7.739 7.942 -0.203 1 1 1085 . 13 1 1 A 99 99 ILE HA H 99 4.198 3.987 0.211 1 1 1095 . 13 1 1 A 99 99 ILE C C 99 175.561 175.920 -0.359 1 1 1096 . 13 1 1 A 99 99 ILE CA C 99 60.671 63.878 -3.207 1 1 1097 . 13 1 1 A 99 99 ILE CB C 99 38.524 38.183 0.341 1 1 1101 . 13 1 1 A 99 99 ILE N N 99 120.780 121.186 -0.406 1 1 1102 . 13 1 1 A 100 100 ASP H H 100 8.372 7.894 0.478 1 1 1103 . 13 1 1 A 100 100 ASP HA H 100 4.426 4.360 0.066 1 1 1106 . 13 1 1 A 100 100 ASP C C 100 176.325 176.971 -0.646 1 1 1107 . 13 1 1 A 100 100 ASP CA C 100 56.023 55.821 0.202 1 1 1108 . 13 1 1 A 100 100 ASP CB C 100 40.985 40.615 0.370 1 1 1109 . 13 1 1 A 100 100 ASP N N 100 126.194 121.871 4.323 1 1 1110 . 13 1 1 A 101 101 LYS H H 101 8.081 8.322 -0.241 1 1 1111 . 13 1 1 A 101 101 LYS HA H 101 4.052 4.171 -0.119 1 1 1120 . 13 1 1 A 101 101 LYS C C 101 175.874 177.548 -1.674 1 1 1121 . 13 1 1 A 101 101 LYS CA C 101 58.210 58.578 -0.368 1 1 1122 . 13 1 1 A 101 101 LYS CB C 101 31.689 32.522 -0.833 1 1 1126 . 13 1 1 A 101 101 LYS N N 101 115.366 116.783 -1.417 1 1 1127 . 13 1 1 A 102 102 VAL H H 102 7.631 7.460 0.171 1 1 1128 . 13 1 1 A 102 102 VAL HA H 102 4.419 3.978 0.441 1 1 1136 . 13 1 1 A 102 102 VAL C C 102 175.145 175.650 -0.505 1 1 1137 . 13 1 1 A 102 102 VAL CA C 102 61.919 63.253 -1.334 1 1 1138 . 13 1 1 A 102 102 VAL CB C 102 32.782 32.200 0.582 1 1 1141 . 13 1 1 A 102 102 VAL N N 102 119.362 119.970 -0.608 1 1 1142 . 13 1 1 A 103 103 GLU H H 103 8.489 8.263 0.226 1 1 1143 . 13 1 1 A 103 103 GLU HA H 103 4.931 4.647 0.284 1 1 1148 . 13 1 1 A 103 103 GLU C C 103 175.943 175.537 0.406 1 1 1149 . 13 1 1 A 103 103 GLU CA C 103 55.140 54.662 0.478 1 1 1150 . 13 1 1 A 103 103 GLU CB C 103 33.329 33.587 -0.258 1 1 1152 . 13 1 1 A 103 103 GLU N N 103 126.581 125.235 1.346 1 1 1153 . 13 1 1 A 104 104 THR H H 104 8.690 8.533 0.157 1 1 1154 . 13 1 1 A 104 104 THR HA H 104 5.292 5.043 0.249 1 1 1159 . 13 1 1 A 104 104 THR C C 104 173.165 173.960 -0.795 1 1 1160 . 13 1 1 A 104 104 THR CA C 104 58.757 60.875 -2.118 1 1 1161 . 13 1 1 A 104 104 THR CB C 104 69.967 70.032 -0.065 1 1 1163 . 13 1 1 A 104 104 THR N N 104 114.979 116.349 -1.370 1 1 1164 . 13 1 1 A 105 105 LEU H H 105 8.635 8.714 -0.079 1 1 1165 . 13 1 1 A 105 105 LEU HA H 105 4.979 5.186 -0.207 1 1 1175 . 13 1 1 A 105 105 LEU C C 105 176.985 176.068 0.917 1 1 1176 . 13 1 1 A 105 105 LEU CA C 105 52.849 53.470 -0.621 1 1 1177 . 13 1 1 A 105 105 LEU CB C 105 45.633 46.319 -0.686 1 1 1181 . 13 1 1 A 105 105 LEU N N 105 119.233 123.085 -3.852 1 1 1182 . 13 1 1 A 106 106 SER H H 106 9.670 9.225 0.445 1 1 1183 . 13 1 1 A 106 106 SER HA H 106 5.485 5.093 0.392 1 1 1186 . 13 1 1 A 106 106 SER C C 106 176.256 174.731 1.525 1 1 1187 . 13 1 1 A 106 106 SER CA C 106 56.570 57.008 -0.438 1 1 1188 . 13 1 1 A 106 106 SER CB C 106 65.593 64.236 1.357 1 1 1189 . 13 1 1 A 106 106 SER N N 106 114.979 117.754 -2.775 1 1 1190 . 13 1 1 A 107 107 ASP H H 107 8.764 7.914 0.850 1 1 1191 . 13 1 1 A 107 107 ASP HA H 107 5.517 4.147 1.370 1 1 1194 . 13 1 1 A 107 107 ASP CA C 107 52.753 57.416 -4.663 1 1 1195 . 13 1 1 A 107 107 ASP CB C 107 45.086 41.111 3.975 1 1 1196 . 13 1 1 A 107 107 ASP N N 107 132.898 122.894 10.004 1 1 1197 . 13 1 1 A 108 108 HIS H H 108 7.940 8.463 -0.523 1 1 1198 . 13 1 1 A 108 108 HIS HA H 108 4.075 3.998 0.077 1 1 1200 . 13 1 1 A 108 108 HIS CA C 108 59.577 60.001 -0.424 1 1 1201 . 13 1 1 A 108 108 HIS CB C 108 29.861 30.231 -0.370 1 1 1202 . 13 1 1 A 108 108 HIS N N 108 116.397 119.565 -3.168 1 1 1203 . 13 1 1 A 109 109 ARG HA H 109 4.214 3.892 0.322 1 1 1206 . 13 1 1 A 109 109 ARG CA C 109 59.031 58.585 0.446 1 1 1207 . 13 1 1 A 109 109 ARG CB C 109 27.861 29.786 -1.925 1 1 1208 . 13 1 1 A 110 110 ASP HA H 110 4.867 4.810 0.057 1 1 1211 . 13 1 1 A 110 110 ASP C C 110 175.735 175.954 -0.219 1 1 1212 . 13 1 1 A 110 110 ASP CA C 110 53.708 53.481 0.227 1 1 1213 . 13 1 1 A 110 110 ASP CB C 110 43.875 42.173 1.702 1 1 1214 . 13 1 1 A 111 111 MET H H 111 7.899 8.501 -0.602 1 1 1215 . 13 1 1 A 111 111 MET HA H 111 4.503 4.194 0.309 1 1 1221 . 13 1 1 A 111 111 MET C C 111 177.332 176.186 1.146 1 1 1222 . 13 1 1 A 111 111 MET CA C 111 56.570 56.546 0.024 1 1 1223 . 13 1 1 A 111 111 MET CB C 111 30.868 32.316 -1.448 1 1 1226 . 13 1 1 A 111 111 MET N N 111 116.397 118.441 -2.044 1 1 1227 . 13 1 1 A 112 112 SER H H 112 7.931 8.050 -0.119 1 1 1228 . 13 1 1 A 112 112 SER HA H 112 4.248 4.335 -0.087 1 1 1231 . 13 1 1 A 112 112 SER C C 112 179.173 175.957 3.216 1 1 1232 . 13 1 1 A 112 112 SER CA C 112 60.945 62.669 -1.724 1 1 1233 . 13 1 1 A 112 112 SER CB C 112 64.499 63.193 1.306 1 1 1234 . 13 1 1 A 112 112 SER N N 112 113.561 115.772 -2.211 1 1 1235 . 13 1 1 A 113 113 PHE H H 113 10.125 8.380 1.745 1 1 1236 . 13 1 1 A 113 113 PHE HA H 113 3.593 4.392 -0.799 1 1 1241 . 13 1 1 A 113 113 PHE C C 113 177.437 177.947 -0.510 1 1 1242 . 13 1 1 A 113 113 PHE CA C 113 62.312 61.693 0.619 1 1 1243 . 13 1 1 A 113 113 PHE CB C 113 37.704 38.923 -1.219 1 1 1244 . 13 1 1 A 113 113 PHE N N 113 125.550 122.618 2.932 1 1 1245 . 13 1 1 A 114 114 GLY H H 114 10.707 8.985 1.722 1 1 1246 . 13 1 1 A 114 114 GLY HA2 H 114 3.396 3.875 -0.479 1 1 1247 . 13 1 1 A 114 114 GLY HA3 H 114 3.218 3.954 -0.736 1 1 1248 . 13 1 1 A 114 114 GLY C C 114 175.735 175.948 -0.213 1 1 1249 . 13 1 1 A 114 114 GLY CA C 114 48.641 47.494 1.147 1 1 1250 . 13 1 1 A 114 114 GLY N N 114 109.178 106.203 2.975 1 1 1251 . 13 1 1 A 115 115 GLU H H 115 8.251 8.382 -0.131 1 1 1252 . 13 1 1 A 115 115 GLU HA H 115 4.431 4.274 0.157 1 1 1257 . 13 1 1 A 115 115 GLU C C 115 178.756 178.603 0.153 1 1 1258 . 13 1 1 A 115 115 GLU CA C 115 59.031 59.046 -0.015 1 1 1259 . 13 1 1 A 115 115 GLU CB C 115 29.775 29.446 0.329 1 1 1261 . 13 1 1 A 115 115 GLU N N 115 120.522 121.689 -1.167 1 1 1262 . 13 1 1 A 116 116 ALA H H 116 7.895 8.156 -0.261 1 1 1263 . 13 1 1 A 116 116 ALA HA H 116 4.111 3.647 0.464 1 1 1267 . 13 1 1 A 116 116 ALA C C 116 177.610 178.437 -0.827 1 1 1268 . 13 1 1 A 116 116 ALA CA C 116 55.476 54.554 0.922 1 1 1269 . 13 1 1 A 116 116 ALA CB C 116 18.838 17.952 0.886 1 1 1270 . 13 1 1 A 116 116 ALA N N 116 123.100 121.639 1.461 1 1 1271 . 13 1 1 A 117 117 PHE H H 117 8.161 7.782 0.379 1 1 1272 . 13 1 1 A 117 117 PHE HA H 117 4.262 4.382 -0.120 1 1 1277 . 13 1 1 A 117 117 PHE C C 117 175.353 175.529 -0.176 1 1 1278 . 13 1 1 A 117 117 PHE CA C 117 56.843 57.447 -0.604 1 1 1279 . 13 1 1 A 117 117 PHE CB C 117 38.251 39.259 -1.008 1 1 1280 . 13 1 1 A 117 117 PHE N N 117 113.432 112.763 0.669 1 1 1281 . 13 1 1 A 118 118 GLY H H 118 7.685 7.629 0.056 1 1 1282 . 13 1 1 A 118 118 GLY HA2 H 118 3.544 4.053 -0.509 1 1 1283 . 13 1 1 A 118 118 GLY HA3 H 118 4.362 4.075 0.287 1 1 1284 . 13 1 1 A 118 118 GLY C C 118 174.901 175.561 -0.660 1 1 1285 . 13 1 1 A 118 118 GLY CA C 118 47.274 46.847 0.427 1 1 1286 . 13 1 1 A 118 118 GLY N N 118 112.143 108.465 3.678 1 1 1287 . 13 1 1 A 119 119 VAL H H 119 8.380 8.236 0.144 1 1 1288 . 13 1 1 A 119 119 VAL HA H 119 4.788 4.770 0.018 1 1 1296 . 13 1 1 A 119 119 VAL C C 119 174.901 175.742 -0.841 1 1 1297 . 13 1 1 A 119 119 VAL CA C 119 59.532 61.565 -2.033 1 1 1298 . 13 1 1 A 119 119 VAL CB C 119 32.509 32.659 -0.150 1 1 1301 . 13 1 1 A 119 119 VAL N N 119 102.475 117.523 -15.048 1 1 1302 . 13 1 1 A 120 120 TYR H H 120 6.841 7.766 -0.925 1 1 1303 . 13 1 1 A 120 120 TYR HA H 120 4.484 4.806 -0.322 1 1 1308 . 13 1 1 A 120 120 TYR C C 120 173.443 175.193 -1.750 1 1 1309 . 13 1 1 A 120 120 TYR CA C 120 54.929 56.958 -2.029 1 1 1310 . 13 1 1 A 120 120 TYR CB C 120 37.704 38.715 -1.011 1 1 1311 . 13 1 1 A 120 120 TYR N N 120 124.518 124.476 0.042 1 1 1312 . 13 1 1 A 121 121 ILE H H 121 9.244 9.088 0.156 1 1 1313 . 13 1 1 A 121 121 ILE HA H 121 4.419 4.096 0.323 1 1 1323 . 13 1 1 A 121 121 ILE C C 121 176.221 176.697 -0.476 1 1 1324 . 13 1 1 A 121 121 ILE CA C 121 62.014 62.173 -0.159 1 1 1325 . 13 1 1 A 121 121 ILE CB C 121 37.704 37.535 0.169 1 1 1329 . 13 1 1 A 121 121 ILE N N 121 128.772 129.234 -0.462 1 1 1330 . 13 1 1 A 122 122 LYS H H 122 9.328 8.943 0.385 1 1 1331 . 13 1 1 A 122 122 LYS HA H 122 3.588 3.621 -0.033 1 1 1340 . 13 1 1 A 122 122 LYS C C 122 179.069 178.131 0.938 1 1 1341 . 13 1 1 A 122 122 LYS CA C 122 60.124 59.523 0.601 1 1 1342 . 13 1 1 A 122 122 LYS CB C 122 33.329 32.142 1.187 1 1 1346 . 13 1 1 A 122 122 LYS N N 122 134.955 129.227 5.728 1 1 1347 . 13 1 1 A 123 123 GLU H H 123 10.228 8.149 2.079 1 1 1348 . 13 1 1 A 123 123 GLU HA H 123 3.919 4.195 -0.276 1 1 1353 . 13 1 1 A 123 123 GLU C C 123 176.638 176.770 -0.132 1 1 1354 . 13 1 1 A 123 123 GLU CA C 123 61.218 57.531 3.687 1 1 1355 . 13 1 1 A 123 123 GLU CB C 123 29.228 29.764 -0.536 1 1 1357 . 13 1 1 A 123 123 GLU N N 123 115.624 117.424 -1.800 1 1 1358 . 13 1 1 A 124 124 LEU H H 124 6.480 7.738 -1.258 1 1 1359 . 13 1 1 A 124 124 LEU HA H 124 4.464 4.530 -0.066 1 1 1369 . 13 1 1 A 124 124 LEU C C 124 175.403 176.748 -1.345 1 1 1370 . 13 1 1 A 124 124 LEU CA C 124 53.562 54.384 -0.822 1 1 1371 . 13 1 1 A 124 124 LEU CB C 124 44.813 44.662 0.151 1 1 1375 . 13 1 1 A 124 124 LEU N N 124 110.434 120.417 -9.983 1 1 1376 . 13 1 1 A 125 125 ARG H H 125 8.701 8.050 0.651 1 1 1377 . 13 1 1 A 125 125 ARG HA H 125 3.783 4.380 -0.597 1 1 1380 . 13 1 1 A 125 125 ARG C C 125 173.029 174.998 -1.969 1 1 1381 . 13 1 1 A 125 125 ARG CA C 125 57.664 57.134 0.530 1 1 1382 . 13 1 1 A 125 125 ARG CB C 125 30.965 28.200 2.765 1 1 1383 . 13 1 1 A 125 125 ARG N N 125 121.940 117.582 4.358 1 1 1384 . 13 1 1 A 126 126 LEU H H 126 6.671 7.604 -0.933 1 1 1385 . 13 1 1 A 126 126 LEU HA H 126 4.621 4.762 -0.141 1 1 1395 . 13 1 1 A 126 126 LEU C C 126 174.203 176.045 -1.842 1 1 1396 . 13 1 1 A 126 126 LEU CA C 126 51.922 53.270 -1.348 1 1 1397 . 13 1 1 A 126 126 LEU CB C 126 46.727 44.935 1.792 1 1 1401 . 13 1 1 A 126 126 LEU N N 126 111.885 120.448 -8.563 1 1 1402 . 13 1 1 A 127 127 LEU H H 127 8.447 8.634 -0.187 1 1 1403 . 13 1 1 A 127 127 LEU HA H 127 5.153 4.672 0.481 1 1 1413 . 13 1 1 A 127 127 LEU C C 127 175.145 177.814 -2.669 1 1 1414 . 13 1 1 A 127 127 LEU CA C 127 52.742 54.963 -2.221 1 1 1415 . 13 1 1 A 127 127 LEU CB C 127 43.172 42.193 0.979 1 1 1419 . 13 1 1 A 127 127 LEU N N 127 118.983 121.312 -2.329 1 1 1420 . 13 1 1 A 128 128 ALA H H 128 9.160 8.785 0.375 1 1 1421 . 13 1 1 A 128 128 ALA HA H 128 3.843 4.500 -0.657 1 1 1425 . 13 1 1 A 128 128 ALA C C 128 176.603 177.100 -0.497 1 1 1426 . 13 1 1 A 128 128 ALA CA C 128 52.469 52.335 0.134 1 1 1427 . 13 1 1 A 128 128 ALA CB C 128 18.291 19.214 -0.923 1 1 1428 . 13 1 1 A 128 128 ALA N N 128 121.682 126.423 -4.741 1 1 1429 . 13 1 1 A 129 129 ARG H H 129 6.254 8.681 -2.427 1 1 1430 . 13 1 1 A 129 129 ARG HA H 129 4.700 4.884 -0.184 1 1 1436 . 13 1 1 A 129 129 ARG C C 129 176.534 175.068 1.466 1 1 1437 . 13 1 1 A 129 129 ARG CA C 129 55.651 55.803 -0.152 1 1 1438 . 13 1 1 A 129 129 ARG CB C 129 29.775 30.825 -1.050 1 1 1441 . 13 1 1 A 129 129 ARG N N 129 120.393 122.950 -2.557 1 1 1442 . 13 1 1 A 130 130 SER H H 130 8.398 8.565 -0.167 1 1 1443 . 13 1 1 A 130 130 SER HA H 130 4.767 4.981 -0.214 1 1 1446 . 13 1 1 A 130 130 SER C C 130 172.957 172.562 0.395 1 1 1447 . 13 1 1 A 130 130 SER CA C 130 57.658 57.443 0.215 1 1 1448 . 13 1 1 A 130 130 SER CB C 130 63.679 67.371 -3.692 1 1 1449 . 13 1 1 A 130 130 SER N N 130 120.264 122.444 -2.180 1 1 1450 . 13 1 1 A 131 131 VAL H H 131 7.838 7.960 -0.122 1 1 1451 . 13 1 1 A 131 131 VAL HA H 131 5.086 4.873 0.213 1 1 1459 . 13 1 1 A 131 131 VAL C C 131 172.853 172.763 0.090 1 1 1460 . 13 1 1 A 131 131 VAL CA C 131 60.746 59.884 0.862 1 1 1461 . 13 1 1 A 131 131 VAL CB C 131 36.610 35.385 1.225 1 1 1464 . 13 1 1 A 131 131 VAL N N 131 118.460 120.360 -1.900 1 1 1465 . 13 1 1 A 132 132 PHE H H 132 9.259 9.374 -0.115 1 1 1466 . 13 1 1 A 132 132 PHE HA H 132 5.583 5.497 0.086 1 1 1470 . 13 1 1 A 132 132 PHE C C 132 174.797 174.874 -0.077 1 1 1471 . 13 1 1 A 132 132 PHE CA C 132 56.296 56.181 0.115 1 1 1472 . 13 1 1 A 132 132 PHE CB C 132 44.539 43.763 0.776 1 1 1473 . 13 1 1 A 132 132 PHE N N 132 121.682 124.501 -2.819 1 1 1474 . 13 1 1 A 133 133 VAL H H 133 8.907 8.673 0.234 1 1 1475 . 13 1 1 A 133 133 VAL HA H 133 5.331 5.096 0.235 1 1 1483 . 13 1 1 A 133 133 VAL C C 133 174.450 175.103 -0.653 1 1 1484 . 13 1 1 A 133 133 VAL CA C 133 61.491 60.644 0.847 1 1 1485 . 13 1 1 A 133 133 VAL CB C 133 34.696 35.930 -1.234 1 1 1488 . 13 1 1 A 133 133 VAL N N 133 119.878 120.206 -0.328 1 1 1489 . 13 1 1 A 134 134 LEU H H 134 9.976 9.186 0.790 1 1 1490 . 13 1 1 A 134 134 LEU HA H 134 5.680 5.212 0.468 1 1 1500 . 13 1 1 A 134 134 LEU C C 134 176.777 175.441 1.336 1 1 1501 . 13 1 1 A 134 134 LEU CA C 134 52.195 53.358 -1.163 1 1 1502 . 13 1 1 A 134 134 LEU CB C 134 44.813 45.545 -0.732 1 1 1506 . 13 1 1 A 134 134 LEU N N 134 129.417 126.544 2.873 1 1 1507 . 13 1 1 A 135 135 ASP H H 135 9.051 9.181 -0.130 1 1 1508 . 13 1 1 A 135 135 ASP HA H 135 4.708 4.729 -0.021 1 1 1511 . 13 1 1 A 135 135 ASP C C 135 177.193 177.321 -0.128 1 1 1512 . 13 1 1 A 135 135 ASP CA C 135 52.276 53.651 -1.375 1 1 1513 . 13 1 1 A 135 135 ASP CB C 135 40.711 42.058 -1.347 1 1 1514 . 13 1 1 A 135 135 ASP N N 135 119.362 125.474 -6.112 1 1 1515 . 13 1 1 A 136 136 GLU H H 136 9.970 8.922 1.048 1 1 1516 . 13 1 1 A 136 136 GLU HA H 136 3.953 4.038 -0.085 1 1 1521 . 13 1 1 A 136 136 GLU C C 136 177.055 178.197 -1.142 1 1 1522 . 13 1 1 A 136 136 GLU CA C 136 58.757 59.344 -0.587 1 1 1523 . 13 1 1 A 136 136 GLU CB C 136 28.681 29.316 -0.635 1 1 1525 . 13 1 1 A 136 136 GLU N N 136 116.011 123.964 -7.953 1 1 1526 . 13 1 1 A 137 137 ASN H H 137 8.514 8.429 0.085 1 1 1527 . 13 1 1 A 137 137 ASN HA H 137 5.026 4.800 0.226 1 1 1532 . 13 1 1 A 137 137 ASN C C 137 175.943 176.013 -0.070 1 1 1533 . 13 1 1 A 137 137 ASN CA C 137 52.753 53.384 -0.631 1 1 1534 . 13 1 1 A 137 137 ASN CB C 137 40.164 38.765 1.399 1 1 1535 . 13 1 1 A 137 137 ASN N N 137 117.042 115.992 1.050 1 1 1537 . 13 1 1 A 138 138 GLY H H 138 8.430 8.369 0.061 1 1 1538 . 13 1 1 A 138 138 GLY HA2 H 138 3.690 3.955 -0.265 1 1 1539 . 13 1 1 A 138 138 GLY HA3 H 138 4.213 3.987 0.226 1 1 1540 . 13 1 1 A 138 138 GLY C C 138 172.436 174.376 -1.940 1 1 1541 . 13 1 1 A 138 138 GLY CA C 138 46.180 46.279 -0.099 1 1 1542 . 13 1 1 A 138 138 GLY N N 138 109.565 109.306 0.259 1 1 1543 . 13 1 1 A 139 139 LYS H H 139 8.573 7.948 0.625 1 1 1544 . 13 1 1 A 139 139 LYS HA H 139 4.472 4.525 -0.053 1 1 1553 . 13 1 1 A 139 139 LYS C C 139 176.742 175.763 0.979 1 1 1554 . 13 1 1 A 139 139 LYS CA C 139 56.195 55.231 0.964 1 1 1555 . 13 1 1 A 139 139 LYS CB C 139 32.782 33.241 -0.459 1 1 1559 . 13 1 1 A 139 139 LYS N N 139 123.358 121.875 1.483 1 1 1560 . 13 1 1 A 140 140 VAL H H 140 9.102 8.513 0.589 1 1 1561 . 13 1 1 A 140 140 VAL HA H 140 4.293 4.507 -0.214 1 1 1569 . 13 1 1 A 140 140 VAL C C 140 177.124 176.229 0.895 1 1 1570 . 13 1 1 A 140 140 VAL CA C 140 63.952 62.498 1.454 1 1 1571 . 13 1 1 A 140 140 VAL CB C 140 31.142 31.976 -0.834 1 1 1574 . 13 1 1 A 140 140 VAL N N 140 125.292 124.867 0.425 1 1 1575 . 13 1 1 A 141 141 VAL H H 141 9.332 9.101 0.231 1 1 1576 . 13 1 1 A 141 141 VAL HA H 141 4.670 4.235 0.435 1 1 1584 . 13 1 1 A 141 141 VAL C C 141 175.249 175.050 0.199 1 1 1585 . 13 1 1 A 141 141 VAL CA C 141 61.491 63.815 -2.324 1 1 1586 . 13 1 1 A 141 141 VAL CB C 141 32.509 32.844 -0.335 1 1 1589 . 13 1 1 A 141 141 VAL N N 141 124.261 124.826 -0.565 1 1 1590 . 13 1 1 A 142 142 TYR H H 142 7.959 7.429 0.530 1 1 1591 . 13 1 1 A 142 142 TYR HA H 142 4.389 4.798 -0.409 1 1 1596 . 13 1 1 A 142 142 TYR C C 142 172.262 173.469 -1.207 1 1 1597 . 13 1 1 A 142 142 TYR CA C 142 58.757 58.214 0.543 1 1 1598 . 13 1 1 A 142 142 TYR CB C 142 41.805 41.587 0.218 1 1 1599 . 13 1 1 A 142 142 TYR N N 142 122.198 120.938 1.260 1 1 1600 . 13 1 1 A 143 143 ALA H H 143 7.642 7.876 -0.234 1 1 1601 . 13 1 1 A 143 143 ALA HA H 143 4.883 4.995 -0.112 1 1 1605 . 13 1 1 A 143 143 ALA C C 143 175.353 175.202 0.151 1 1 1606 . 13 1 1 A 143 143 ALA CA C 143 51.703 51.376 0.327 1 1 1607 . 13 1 1 A 143 143 ALA CB C 143 22.666 23.007 -0.341 1 1 1608 . 13 1 1 A 143 143 ALA N N 143 129.804 128.258 1.546 1 1 1609 . 13 1 1 A 144 144 GLU H H 144 8.292 8.121 0.171 1 1 1610 . 13 1 1 A 144 144 GLU HA H 144 4.297 4.668 -0.371 1 1 1615 . 13 1 1 A 144 144 GLU C C 144 173.860 173.744 0.116 1 1 1616 . 13 1 1 A 144 144 GLU CA C 144 56.296 55.283 1.013 1 1 1617 . 13 1 1 A 144 144 GLU CB C 144 32.509 33.900 -1.391 1 1 1619 . 13 1 1 A 144 144 GLU N N 144 122.198 121.369 0.829 1 1 1620 . 13 1 1 A 145 145 TYR H H 145 9.006 9.066 -0.060 1 1 1621 . 13 1 1 A 145 145 TYR HA H 145 4.125 5.124 -0.999 1 1 1626 . 13 1 1 A 145 145 TYR C C 145 175.164 175.179 -0.015 1 1 1627 . 13 1 1 A 145 145 TYR CA C 145 57.117 56.807 0.310 1 1 1628 . 13 1 1 A 145 145 TYR CB C 145 38.251 40.203 -1.952 1 1 1629 . 13 1 1 A 145 145 TYR N N 145 128.128 123.981 4.147 1 1 1630 . 13 1 1 A 146 146 VAL H H 146 7.441 8.978 -1.537 1 1 1631 . 13 1 1 A 146 146 VAL HA H 146 3.672 4.063 -0.391 1 1 1639 . 13 1 1 A 146 146 VAL C C 146 176.777 176.549 0.228 1 1 1640 . 13 1 1 A 146 146 VAL CA C 146 64.226 63.665 0.561 1 1 1641 . 13 1 1 A 146 146 VAL CB C 146 30.868 32.026 -1.158 1 1 1644 . 13 1 1 A 146 146 VAL N N 146 125.808 126.201 -0.393 1 1 1645 . 13 1 1 A 147 147 SER H H 147 8.359 8.562 -0.203 1 1 1646 . 13 1 1 A 147 147 SER HA H 147 4.007 4.343 -0.336 1 1 1649 . 13 1 1 A 147 147 SER C C 147 172.123 174.542 -2.419 1 1 1650 . 13 1 1 A 147 147 SER CA C 147 63.132 60.978 2.154 1 1 1651 . 13 1 1 A 147 147 SER CB C 147 62.859 63.134 -0.275 1 1 1652 . 13 1 1 A 147 147 SER N N 147 121.425 120.905 0.520 1 1 1653 . 13 1 1 A 148 148 GLU H H 148 7.177 7.955 -0.778 1 1 1654 . 13 1 1 A 148 148 GLU HA H 148 5.055 4.916 0.139 1 1 1659 . 13 1 1 A 148 148 GLU C C 148 176.082 176.725 -0.643 1 1 1660 . 13 1 1 A 148 148 GLU CA C 148 52.563 55.274 -2.711 1 1 1661 . 13 1 1 A 148 148 GLU CB C 148 29.774 32.158 -2.384 1 1 1663 . 13 1 1 A 148 148 GLU N N 148 119.620 120.340 -0.720 1 1 1664 . 13 1 1 A 149 149 ALA H H 149 9.142 9.457 -0.315 1 1 1665 . 13 1 1 A 149 149 ALA HA H 149 4.704 4.043 0.661 1 1 1669 . 13 1 1 A 149 149 ALA C C 149 177.437 178.852 -1.415 1 1 1670 . 13 1 1 A 149 149 ALA CA C 149 54.466 55.429 -0.963 1 1 1671 . 13 1 1 A 149 149 ALA CB C 149 19.111 18.554 0.557 1 1 1672 . 13 1 1 A 149 149 ALA N N 149 127.741 129.808 -2.067 1 1 1673 . 13 1 1 A 150 150 THR H H 150 8.200 7.476 0.724 1 1 1674 . 13 1 1 A 150 150 THR HA H 150 4.393 4.215 0.178 1 1 1679 . 13 1 1 A 150 150 THR C C 150 174.554 174.591 -0.037 1 1 1680 . 13 1 1 A 150 150 THR CA C 150 62.312 62.365 -0.053 1 1 1681 . 13 1 1 A 150 150 THR CB C 150 69.694 69.365 0.329 1 1 1683 . 13 1 1 A 150 150 THR N N 150 104.453 108.168 -3.715 1 1 1684 . 13 1 1 A 151 151 ASN H H 151 7.984 7.719 0.265 1 1 1685 . 13 1 1 A 151 151 ASN HA H 151 4.947 4.859 0.088 1 1 1690 . 13 1 1 A 151 151 ASN C C 151 174.554 174.587 -0.033 1 1 1691 . 13 1 1 A 151 151 ASN CA C 151 51.135 51.410 -0.275 1 1 1692 . 13 1 1 A 151 151 ASN CB C 151 39.344 40.249 -0.905 1 1 1693 . 13 1 1 A 151 151 ASN N N 151 123.487 121.895 1.592 1 1 1695 . 13 1 1 A 152 152 HIS H H 152 8.160 8.607 -0.447 1 1 1696 . 13 1 1 A 152 152 HIS HA H 152 4.731 5.298 -0.567 1 1 1700 . 13 1 1 A 152 152 HIS C C 152 174.381 172.877 1.504 1 1 1701 . 13 1 1 A 152 152 HIS CA C 152 54.854 53.356 1.498 1 1 1702 . 13 1 1 A 152 152 HIS CB C 152 31.415 32.248 -0.833 1 1 1703 . 13 1 1 A 152 152 HIS N N 152 116.139 116.222 -0.083 1 1 1704 . 13 1 1 A 153 153 PRO HA H 153 4.335 4.494 -0.159 1 1 1709 . 13 1 1 A 153 153 PRO C C 153 173.894 176.367 -2.473 1 1 1710 . 13 1 1 A 153 153 PRO CA C 153 61.491 62.192 -0.701 1 1 1711 . 13 1 1 A 153 153 PRO CB C 153 32.782 32.324 0.458 1 1 1714 . 13 1 1 A 154 154 ASN H H 154 9.511 8.638 0.873 1 1 1715 . 13 1 1 A 154 154 ASN HA H 154 4.306 4.768 -0.462 1 1 1720 . 13 1 1 A 154 154 ASN C C 154 176.568 175.995 0.573 1 1 1721 . 13 1 1 A 154 154 ASN CA C 154 54.656 52.838 1.818 1 1 1722 . 13 1 1 A 154 154 ASN CB C 154 39.071 38.703 0.368 1 1 1723 . 13 1 1 A 154 154 ASN N N 154 118.718 119.681 -0.963 1 1 1725 . 13 1 1 A 155 155 TYR H H 155 8.691 8.239 0.452 1 1 1726 . 13 1 1 A 155 155 TYR HA H 155 4.364 4.171 0.193 1 1 1731 . 13 1 1 A 155 155 TYR C C 155 176.256 177.018 -0.762 1 1 1732 . 13 1 1 A 155 155 TYR CA C 155 59.304 58.815 0.489 1 1 1733 . 13 1 1 A 155 155 TYR CB C 155 39.344 37.843 1.501 1 1 1734 . 13 1 1 A 155 155 TYR N N 155 125.421 125.851 -0.430 1 1 1735 . 13 1 1 A 156 156 GLU H H 156 8.200 7.915 0.285 1 1 1736 . 13 1 1 A 156 156 GLU HA H 156 4.415 4.112 0.303 1 1 1741 . 13 1 1 A 156 156 GLU C C 156 178.583 178.934 -0.351 1 1 1742 . 13 1 1 A 156 156 GLU CA C 156 58.757 59.168 -0.411 1 1 1743 . 13 1 1 A 156 156 GLU CB C 156 30.868 28.872 1.996 1 1 1745 . 13 1 1 A 156 156 GLU N N 156 119.878 122.712 -2.834 1 1 1746 . 13 1 1 A 157 157 LYS H H 157 8.718 7.352 1.366 1 1 1747 . 13 1 1 A 157 157 LYS HA H 157 4.095 4.019 0.076 1 1 1756 . 13 1 1 A 157 157 LYS C C 157 176.152 175.437 0.715 1 1 1757 . 13 1 1 A 157 157 LYS CA C 157 60.398 61.333 -0.935 1 1 1758 . 13 1 1 A 157 157 LYS CB C 157 30.595 30.618 -0.023 1 1 1762 . 13 1 1 A 157 157 LYS N N 157 121.167 120.190 0.977 1 1 1763 . 13 1 1 A 158 158 PRO HA H 158 3.116 3.914 -0.798 1 1 1770 . 13 1 1 A 158 158 PRO C C 158 177.853 179.434 -1.581 1 1 1771 . 13 1 1 A 158 158 PRO CA C 158 65.319 64.833 0.486 1 1 1772 . 13 1 1 A 158 158 PRO CB C 158 30.595 30.608 -0.013 1 1 1775 . 13 1 1 A 159 159 ILE H H 159 6.215 7.250 -1.035 1 1 1776 . 13 1 1 A 159 159 ILE HA H 159 3.594 3.917 -0.323 1 1 1786 . 13 1 1 A 159 159 ILE C C 159 177.610 177.715 -0.105 1 1 1787 . 13 1 1 A 159 159 ILE CA C 159 62.312 64.453 -2.141 1 1 1788 . 13 1 1 A 159 159 ILE CB C 159 35.516 37.960 -2.444 1 1 1792 . 13 1 1 A 159 159 ILE N N 159 113.948 116.665 -2.717 1 1 1793 . 13 1 1 A 160 160 GLU H H 160 7.572 8.601 -1.029 1 1 1794 . 13 1 1 A 160 160 GLU HA H 160 3.876 3.998 -0.122 1 1 1799 . 13 1 1 A 160 160 GLU C C 160 179.277 179.727 -0.450 1 1 1800 . 13 1 1 A 160 160 GLU CA C 160 59.304 59.180 0.124 1 1 1801 . 13 1 1 A 160 160 GLU CB C 160 29.774 29.544 0.230 1 1 1803 . 13 1 1 A 160 160 GLU N N 160 119.104 120.044 -0.940 1 1 1804 . 13 1 1 A 161 161 ALA H H 161 7.902 8.160 -0.258 1 1 1805 . 13 1 1 A 161 161 ALA HA H 161 4.137 4.194 -0.057 1 1 1809 . 13 1 1 A 161 161 ALA C C 161 179.485 180.174 -0.689 1 1 1810 . 13 1 1 A 161 161 ALA CA C 161 54.656 55.054 -0.398 1 1 1811 . 13 1 1 A 161 161 ALA CB C 161 18.017 18.044 -0.027 1 1 1812 . 13 1 1 A 161 161 ALA N N 161 120.393 123.614 -3.221 1 1 1813 . 13 1 1 A 162 162 ALA H H 162 7.734 8.050 -0.316 1 1 1814 . 13 1 1 A 162 162 ALA HA H 162 3.950 4.099 -0.149 1 1 1818 . 13 1 1 A 162 162 ALA C C 162 179.485 179.712 -0.227 1 1 1819 . 13 1 1 A 162 162 ALA CA C 162 54.656 55.282 -0.626 1 1 1820 . 13 1 1 A 162 162 ALA CB C 162 19.111 18.217 0.894 1 1 1821 . 13 1 1 A 162 162 ALA N N 162 118.202 120.976 -2.774 1 1 1822 . 13 1 1 A 163 163 LYS H H 163 8.760 8.526 0.234 1 1 1823 . 13 1 1 A 163 163 LYS HA H 163 3.842 3.974 -0.132 1 1 1832 . 13 1 1 A 163 163 LYS C C 163 178.201 179.463 -1.262 1 1 1833 . 13 1 1 A 163 163 LYS CA C 163 59.578 59.301 0.277 1 1 1834 . 13 1 1 A 163 163 LYS CB C 163 32.782 32.176 0.606 1 1 1838 . 13 1 1 A 163 163 LYS N N 163 118.202 117.094 1.108 1 1 1839 . 13 1 1 A 164 164 ALA H H 164 7.216 8.356 -1.140 1 1 1840 . 13 1 1 A 164 164 ALA HA H 164 4.215 4.103 0.112 1 1 1844 . 13 1 1 A 164 164 ALA C C 164 178.339 179.537 -1.198 1 1 1845 . 13 1 1 A 164 164 ALA CA C 164 53.836 54.787 -0.951 1 1 1846 . 13 1 1 A 164 164 ALA CB C 164 18.291 18.656 -0.365 1 1 1847 . 13 1 1 A 164 164 ALA N N 164 117.557 121.820 -4.263 1 1 1848 . 13 1 1 A 165 165 LEU H H 165 7.503 7.711 -0.208 1 1 1849 . 13 1 1 A 165 165 LEU HA H 165 4.432 4.261 0.171 1 1 1859 . 13 1 1 A 165 165 LEU C C 165 177.714 178.752 -1.038 1 1 1860 . 13 1 1 A 165 165 LEU CA C 165 54.929 57.190 -2.261 1 1 1861 . 13 1 1 A 165 165 LEU CB C 165 44.256 42.444 1.812 1 1 1865 . 13 1 1 A 165 165 LEU N N 165 115.753 119.629 -3.876 1 1 1866 . 13 1 1 A 166 166 VAL H H 166 7.337 8.170 -0.833 1 1 1867 . 13 1 1 A 166 166 VAL HA H 166 4.103 3.587 0.516 1 1 1875 . 13 1 1 A 166 166 VAL C C 166 175.040 178.320 -3.280 1 1 1876 . 13 1 1 A 166 166 VAL CA C 166 62.859 66.752 -3.893 1 1 1877 . 13 1 1 A 166 166 VAL CB C 166 32.509 31.633 0.876 1 1 1880 . 13 1 1 A 166 166 VAL N N 166 118.589 118.357 0.232 1 1 1 . 14 1 1 A 2 2 ALA HA H 2 3.876 3.217 0.659 1 1 5 . 14 1 1 A 2 2 ALA C C 2 172.590 175.623 -3.033 1 1 6 . 14 1 1 A 2 2 ALA CA C 2 51.922 53.334 -1.412 1 1 7 . 14 1 1 A 2 2 ALA CB C 2 18.924 17.688 1.236 1 1 8 . 14 1 1 A 3 3 GLU H H 3 8.262 7.605 0.657 1 1 9 . 14 1 1 A 3 3 GLU HA H 3 4.641 4.633 0.008 1 1 14 . 14 1 1 A 3 3 GLU C C 3 175.157 174.548 0.609 1 1 15 . 14 1 1 A 3 3 GLU CA C 3 55.476 56.163 -0.687 1 1 16 . 14 1 1 A 3 3 GLU CB C 3 31.142 33.174 -2.032 1 1 18 . 14 1 1 A 3 3 GLU N N 3 121.167 115.402 5.765 1 1 19 . 14 1 1 A 4 4 ILE H H 4 9.053 8.704 0.349 1 1 20 . 14 1 1 A 4 4 ILE HA H 4 5.361 5.022 0.339 1 1 30 . 14 1 1 A 4 4 ILE C C 4 175.817 174.480 1.337 1 1 31 . 14 1 1 A 4 4 ILE CA C 4 59.304 59.074 0.230 1 1 32 . 14 1 1 A 4 4 ILE CB C 4 42.079 42.568 -0.489 1 1 36 . 14 1 1 A 4 4 ILE N N 4 124.776 119.800 4.976 1 1 37 . 14 1 1 A 5 5 THR H H 5 8.977 8.482 0.495 1 1 38 . 14 1 1 A 5 5 THR HA H 5 5.141 5.245 -0.104 1 1 43 . 14 1 1 A 5 5 THR C C 5 173.483 173.316 0.167 1 1 44 . 14 1 1 A 5 5 THR CA C 5 59.304 60.836 -1.532 1 1 45 . 14 1 1 A 5 5 THR CB C 5 73.249 71.745 1.504 1 1 47 . 14 1 1 A 5 5 THR N N 5 112.659 117.706 -5.047 1 1 48 . 14 1 1 A 6 6 PHE H H 6 9.173 9.601 -0.428 1 1 49 . 14 1 1 A 6 6 PHE HA H 6 4.866 5.224 -0.358 1 1 53 . 14 1 1 A 6 6 PHE C C 6 175.591 174.778 0.813 1 1 54 . 14 1 1 A 6 6 PHE CA C 6 58.054 57.140 0.914 1 1 55 . 14 1 1 A 6 6 PHE CB C 6 42.625 42.116 0.509 1 1 56 . 14 1 1 A 6 6 PHE N N 6 119.362 124.727 -5.365 1 1 57 . 14 1 1 A 7 7 LYS H H 7 11.130 9.248 1.882 1 1 58 . 14 1 1 A 7 7 LYS HA H 7 3.567 3.785 -0.218 1 1 67 . 14 1 1 A 7 7 LYS C C 7 177.661 175.597 2.064 1 1 68 . 14 1 1 A 7 7 LYS CA C 7 57.390 57.092 0.298 1 1 69 . 14 1 1 A 7 7 LYS CB C 7 29.222 31.247 -2.025 1 1 73 . 14 1 1 A 7 7 LYS N N 7 134.058 126.948 7.110 1 1 74 . 14 1 1 A 8 8 GLY H H 8 8.965 8.763 0.202 1 1 75 . 14 1 1 A 8 8 GLY HA2 H 8 4.244 3.827 0.417 1 1 76 . 14 1 1 A 8 8 GLY HA3 H 8 3.528 3.827 -0.299 1 1 77 . 14 1 1 A 8 8 GLY C C 8 173.822 173.914 -0.092 1 1 78 . 14 1 1 A 8 8 GLY CA C 8 45.360 45.254 0.106 1 1 79 . 14 1 1 A 8 8 GLY N N 8 104.280 105.398 -1.118 1 1 80 . 14 1 1 A 9 9 GLY H H 9 7.942 8.148 -0.206 1 1 81 . 14 1 1 A 9 9 GLY HA2 H 9 4.815 4.187 0.628 1 1 82 . 14 1 1 A 9 9 GLY HA3 H 9 3.715 4.213 -0.498 1 1 83 . 14 1 1 A 9 9 GLY C C 9 171.262 173.477 -2.215 1 1 84 . 14 1 1 A 9 9 GLY CA C 9 43.172 44.715 -1.543 1 1 85 . 14 1 1 A 9 9 GLY N N 9 109.823 107.972 1.851 1 1 86 . 14 1 1 A 10 10 PRO HA H 10 4.640 4.823 -0.183 1 1 93 . 14 1 1 A 10 10 PRO C C 10 177.097 176.473 0.624 1 1 94 . 14 1 1 A 10 10 PRO CA C 10 63.952 62.923 1.029 1 1 95 . 14 1 1 A 10 10 PRO CB C 10 32.509 32.546 -0.037 1 1 98 . 14 1 1 A 11 11 VAL H H 11 7.770 8.629 -0.859 1 1 99 . 14 1 1 A 11 11 VAL HA H 11 4.632 5.187 -0.555 1 1 107 . 14 1 1 A 11 11 VAL C C 11 174.462 174.835 -0.373 1 1 108 . 14 1 1 A 11 11 VAL CA C 11 59.304 59.444 -0.140 1 1 109 . 14 1 1 A 11 11 VAL CB C 11 35.516 36.685 -1.169 1 1 112 . 14 1 1 A 11 11 VAL N N 11 115.495 116.034 -0.539 1 1 113 . 14 1 1 A 12 12 THR H H 12 10.773 8.510 2.263 1 1 114 . 14 1 1 A 12 12 THR HA H 12 4.425 4.984 -0.559 1 1 119 . 14 1 1 A 12 12 THR C C 12 173.505 173.802 -0.297 1 1 120 . 14 1 1 A 12 12 THR CA C 12 62.312 60.719 1.593 1 1 121 . 14 1 1 A 12 12 THR CB C 12 69.694 72.710 -3.016 1 1 123 . 14 1 1 A 12 12 THR N N 12 121.940 115.654 6.286 1 1 124 . 14 1 1 A 13 13 LEU H H 13 8.524 8.616 -0.092 1 1 125 . 14 1 1 A 13 13 LEU HA H 13 5.132 4.983 0.149 1 1 135 . 14 1 1 A 13 13 LEU C C 13 177.285 175.700 1.585 1 1 136 . 14 1 1 A 13 13 LEU CA C 13 53.289 53.123 0.166 1 1 137 . 14 1 1 A 13 13 LEU CB C 13 42.352 44.859 -2.507 1 1 141 . 14 1 1 A 13 13 LEU N N 13 125.550 123.806 1.744 1 1 142 . 14 1 1 A 14 14 VAL H H 14 8.962 8.604 0.358 1 1 143 . 14 1 1 A 14 14 VAL HA H 14 3.859 4.599 -0.740 1 1 151 . 14 1 1 A 14 14 VAL C C 14 174.604 176.338 -1.734 1 1 152 . 14 1 1 A 14 14 VAL CA C 14 62.312 60.853 1.459 1 1 153 . 14 1 1 A 14 14 VAL CB C 14 32.509 34.327 -1.818 1 1 156 . 14 1 1 A 14 14 VAL N N 14 126.968 120.419 6.549 1 1 157 . 14 1 1 A 15 15 GLY H H 15 7.838 8.932 -1.094 1 1 158 . 14 1 1 A 15 15 GLY HA2 H 15 5.132 3.839 1.293 1 1 159 . 14 1 1 A 15 15 GLY HA3 H 15 3.730 3.857 -0.127 1 1 160 . 14 1 1 A 15 15 GLY C C 15 174.542 174.199 0.343 1 1 161 . 14 1 1 A 15 15 GLY CA C 15 43.446 46.126 -2.680 1 1 162 . 14 1 1 A 15 15 GLY N N 15 110.596 114.364 -3.768 1 1 163 . 14 1 1 A 16 16 GLN H H 16 8.247 7.761 0.486 1 1 164 . 14 1 1 A 16 16 GLN HA H 16 4.347 4.343 0.004 1 1 171 . 14 1 1 A 16 16 GLN C C 16 174.876 175.814 -0.938 1 1 172 . 14 1 1 A 16 16 GLN CA C 16 54.656 55.326 -0.670 1 1 173 . 14 1 1 A 16 16 GLN CB C 16 30.321 29.472 0.849 1 1 175 . 14 1 1 A 16 16 GLN N N 16 120.522 119.478 1.044 1 1 177 . 14 1 1 A 17 17 GLU H H 17 8.149 8.735 -0.586 1 1 178 . 14 1 1 A 17 17 GLU HA H 17 3.938 3.987 -0.049 1 1 183 . 14 1 1 A 17 17 GLU C C 17 176.607 175.809 0.798 1 1 184 . 14 1 1 A 17 17 GLU CA C 17 57.117 57.794 -0.677 1 1 185 . 14 1 1 A 17 17 GLU CB C 17 30.321 29.038 1.283 1 1 187 . 14 1 1 A 17 17 GLU N N 17 123.616 119.703 3.913 1 1 188 . 14 1 1 A 18 18 VAL H H 18 8.605 8.272 0.333 1 1 189 . 14 1 1 A 18 18 VAL HA H 18 4.047 3.979 0.068 1 1 197 . 14 1 1 A 18 18 VAL C C 18 174.386 175.625 -1.239 1 1 198 . 14 1 1 A 18 18 VAL CA C 18 61.765 63.487 -1.722 1 1 199 . 14 1 1 A 18 18 VAL CB C 18 32.782 31.916 0.866 1 1 202 . 14 1 1 A 18 18 VAL N N 18 125.936 120.300 5.636 1 1 203 . 14 1 1 A 19 19 LYS H H 19 8.461 8.742 -0.281 1 1 204 . 14 1 1 A 19 19 LYS HA H 19 4.624 4.907 -0.283 1 1 213 . 14 1 1 A 19 19 LYS C C 19 176.457 174.701 1.756 1 1 214 . 14 1 1 A 19 19 LYS CA C 19 53.562 54.486 -0.924 1 1 215 . 14 1 1 A 19 19 LYS CB C 19 34.423 35.800 -1.377 1 1 219 . 14 1 1 A 19 19 LYS N N 19 123.874 122.826 1.048 1 1 220 . 14 1 1 A 20 20 VAL H H 20 8.349 8.443 -0.094 1 1 221 . 14 1 1 A 20 20 VAL HA H 20 3.421 3.945 -0.524 1 1 229 . 14 1 1 A 20 20 VAL C C 20 177.624 176.903 0.721 1 1 230 . 14 1 1 A 20 20 VAL CA C 20 65.593 63.412 2.181 1 1 231 . 14 1 1 A 20 20 VAL CB C 20 31.415 31.548 -0.133 1 1 234 . 14 1 1 A 20 20 VAL N N 20 120.393 122.106 -1.713 1 1 235 . 14 1 1 A 21 21 GLY H H 21 9.338 9.471 -0.133 1 1 236 . 14 1 1 A 21 21 GLY HA2 H 21 4.566 4.053 0.513 1 1 237 . 14 1 1 A 21 21 GLY HA3 H 21 3.536 4.063 -0.527 1 1 238 . 14 1 1 A 21 21 GLY C C 21 174.160 174.675 -0.515 1 1 239 . 14 1 1 A 21 21 GLY CA C 21 44.539 45.361 -0.822 1 1 240 . 14 1 1 A 21 21 GLY N N 21 117.429 117.616 -0.187 1 1 241 . 14 1 1 A 22 22 ASP H H 22 8.222 8.004 0.218 1 1 242 . 14 1 1 A 22 22 ASP HA H 22 4.650 4.600 0.050 1 1 245 . 14 1 1 A 22 22 ASP C C 22 176.231 176.003 0.228 1 1 246 . 14 1 1 A 22 22 ASP CA C 22 54.382 54.644 -0.262 1 1 247 . 14 1 1 A 22 22 ASP CB C 22 40.985 41.422 -0.437 1 1 248 . 14 1 1 A 22 22 ASP N N 22 121.811 121.482 0.329 1 1 249 . 14 1 1 A 23 23 GLN H H 23 8.598 8.025 0.573 1 1 250 . 14 1 1 A 23 23 GLN HA H 23 4.224 4.266 -0.042 1 1 257 . 14 1 1 A 23 23 GLN C C 23 175.892 174.611 1.281 1 1 258 . 14 1 1 A 23 23 GLN CA C 23 55.203 56.745 -1.542 1 1 259 . 14 1 1 A 23 23 GLN CB C 23 28.954 27.604 1.350 1 1 261 . 14 1 1 A 23 23 GLN N N 23 119.491 118.101 1.390 1 1 263 . 14 1 1 A 24 24 ALA H H 24 8.664 8.512 0.152 1 1 264 . 14 1 1 A 24 24 ALA HA H 24 4.030 4.562 -0.532 1 1 268 . 14 1 1 A 24 24 ALA C C 24 174.386 177.949 -3.563 1 1 269 . 14 1 1 A 24 24 ALA CA C 24 51.101 50.768 0.333 1 1 270 . 14 1 1 A 24 24 ALA CB C 24 19.111 19.436 -0.325 1 1 271 . 14 1 1 A 24 24 ALA N N 24 129.804 127.928 1.876 1 1 272 . 14 1 1 A 25 25 PRO HA H 25 4.422 4.475 -0.053 1 1 279 . 14 1 1 A 25 25 PRO C C 25 173.596 177.204 -3.608 1 1 280 . 14 1 1 A 25 25 PRO CA C 25 61.765 64.110 -2.345 1 1 281 . 14 1 1 A 25 25 PRO CB C 25 32.509 32.134 0.375 1 1 284 . 14 1 1 A 26 26 ASP H H 26 7.546 8.320 -0.774 1 1 285 . 14 1 1 A 26 26 ASP HA H 26 4.411 4.474 -0.063 1 1 288 . 14 1 1 A 26 26 ASP C C 26 175.591 174.088 1.503 1 1 289 . 14 1 1 A 26 26 ASP CA C 26 54.656 54.854 -0.198 1 1 290 . 14 1 1 A 26 26 ASP CB C 26 42.625 40.128 2.497 1 1 291 . 14 1 1 A 26 26 ASP N N 26 114.979 119.640 -4.661 1 1 292 . 14 1 1 A 27 27 PHE H H 27 7.379 8.270 -0.891 1 1 293 . 14 1 1 A 27 27 PHE HA H 27 4.659 5.407 -0.748 1 1 295 . 14 1 1 A 27 27 PHE C C 27 173.407 172.921 0.486 1 1 296 . 14 1 1 A 27 27 PHE CA C 27 56.570 55.648 0.922 1 1 297 . 14 1 1 A 27 27 PHE CB C 27 39.891 42.180 -2.289 1 1 298 . 14 1 1 A 27 27 PHE N N 27 113.561 120.273 -6.712 1 1 299 . 14 1 1 A 28 28 THR H H 28 8.540 8.944 -0.404 1 1 300 . 14 1 1 A 28 28 THR HA H 28 4.936 5.275 -0.339 1 1 305 . 14 1 1 A 28 28 THR C C 28 173.443 174.131 -0.688 1 1 306 . 14 1 1 A 28 28 THR CA C 28 62.889 61.516 1.373 1 1 307 . 14 1 1 A 28 28 THR CB C 28 72.155 71.215 0.940 1 1 309 . 14 1 1 A 28 28 THR N N 28 114.593 114.526 0.067 1 1 310 . 14 1 1 A 29 29 VAL H H 29 9.120 9.342 -0.222 1 1 311 . 14 1 1 A 29 29 VAL HA H 29 4.863 5.000 -0.137 1 1 319 . 14 1 1 A 29 29 VAL C C 29 173.558 175.056 -1.498 1 1 320 . 14 1 1 A 29 29 VAL CA C 29 59.527 59.691 -0.164 1 1 321 . 14 1 1 A 29 29 VAL CB C 29 35.243 34.362 0.881 1 1 324 . 14 1 1 A 29 29 VAL N N 29 119.233 122.111 -2.878 1 1 325 . 14 1 1 A 30 30 LEU H H 30 8.565 8.772 -0.207 1 1 326 . 14 1 1 A 30 30 LEU HA H 30 5.615 5.404 0.211 1 1 336 . 14 1 1 A 30 30 LEU C C 30 180.310 176.983 3.327 1 1 337 . 14 1 1 A 30 30 LEU CA C 30 53.562 53.168 0.394 1 1 338 . 14 1 1 A 30 30 LEU CB C 30 47.547 44.584 2.963 1 1 342 . 14 1 1 A 30 30 LEU N N 30 117.429 122.776 -5.347 1 1 343 . 14 1 1 A 31 31 THR H H 31 9.587 8.567 1.020 1 1 344 . 14 1 1 A 31 31 THR HA H 31 4.741 4.576 0.165 1 1 349 . 14 1 1 A 31 31 THR C C 31 176.457 175.520 0.937 1 1 350 . 14 1 1 A 31 31 THR CA C 31 60.632 60.625 0.007 1 1 351 . 14 1 1 A 31 31 THR CB C 31 71.451 71.458 -0.007 1 1 353 . 14 1 1 A 31 31 THR N N 31 114.721 114.851 -0.130 1 1 354 . 14 1 1 A 32 32 ASN H H 32 9.812 8.698 1.114 1 1 355 . 14 1 1 A 32 32 ASN HA H 32 4.352 4.434 -0.082 1 1 358 . 14 1 1 A 32 32 ASN C C 32 175.252 176.280 -1.028 1 1 359 . 14 1 1 A 32 32 ASN CA C 32 55.476 55.873 -0.397 1 1 360 . 14 1 1 A 32 32 ASN CB C 32 38.524 38.413 0.111 1 1 361 . 14 1 1 A 32 32 ASN N N 32 118.460 120.812 -2.352 1 1 362 . 14 1 1 A 33 33 SER H H 33 7.782 7.847 -0.065 1 1 363 . 14 1 1 A 33 33 SER HA H 33 4.562 4.411 0.151 1 1 366 . 14 1 1 A 33 33 SER C C 33 173.822 174.408 -0.586 1 1 367 . 14 1 1 A 33 33 SER CA C 33 57.390 58.392 -1.002 1 1 368 . 14 1 1 A 33 33 SER CB C 33 62.859 63.368 -0.509 1 1 369 . 14 1 1 A 33 33 SER N N 33 110.725 111.799 -1.074 1 1 370 . 14 1 1 A 34 34 LEU H H 34 8.342 8.088 0.254 1 1 371 . 14 1 1 A 34 34 LEU HA H 34 3.686 3.843 -0.157 1 1 381 . 14 1 1 A 34 34 LEU C C 34 175.516 175.727 -0.211 1 1 382 . 14 1 1 A 34 34 LEU CA C 34 57.117 56.177 0.940 1 1 383 . 14 1 1 A 34 34 LEU CB C 34 37.430 40.044 -2.614 1 1 387 . 14 1 1 A 34 34 LEU N N 34 116.913 117.611 -0.698 1 1 388 . 14 1 1 A 35 35 GLU H H 35 7.538 8.139 -0.601 1 1 389 . 14 1 1 A 35 35 GLU HA H 35 4.546 4.410 0.136 1 1 394 . 14 1 1 A 35 35 GLU C C 35 176.005 176.636 -0.631 1 1 395 . 14 1 1 A 35 35 GLU CA C 35 54.929 56.056 -1.127 1 1 396 . 14 1 1 A 35 35 GLU CB C 35 30.868 30.324 0.544 1 1 398 . 14 1 1 A 35 35 GLU N N 35 117.429 118.114 -0.685 1 1 399 . 14 1 1 A 36 36 GLU H H 36 8.681 8.740 -0.059 1 1 400 . 14 1 1 A 36 36 GLU HA H 36 4.740 4.550 0.190 1 1 405 . 14 1 1 A 36 36 GLU C C 36 176.833 175.450 1.383 1 1 406 . 14 1 1 A 36 36 GLU CA C 36 56.923 57.107 -0.184 1 1 407 . 14 1 1 A 36 36 GLU CB C 36 30.868 30.305 0.563 1 1 409 . 14 1 1 A 36 36 GLU N N 36 121.296 122.071 -0.775 1 1 410 . 14 1 1 A 37 37 LYS H H 37 9.122 8.536 0.586 1 1 411 . 14 1 1 A 37 37 LYS HA H 37 4.639 4.687 -0.048 1 1 420 . 14 1 1 A 37 37 LYS C C 37 173.671 175.247 -1.576 1 1 421 . 14 1 1 A 37 37 LYS CA C 37 55.476 55.276 0.200 1 1 422 . 14 1 1 A 37 37 LYS CB C 37 35.243 35.642 -0.399 1 1 426 . 14 1 1 A 37 37 LYS N N 37 125.292 123.625 1.667 1 1 427 . 14 1 1 A 38 38 SER H H 38 9.337 8.802 0.535 1 1 428 . 14 1 1 A 38 38 SER HA H 38 5.310 4.751 0.559 1 1 431 . 14 1 1 A 38 38 SER C C 38 175.102 175.107 -0.005 1 1 432 . 14 1 1 A 38 38 SER CA C 38 56.296 57.602 -1.306 1 1 433 . 14 1 1 A 38 38 SER CB C 38 67.233 64.681 2.552 1 1 434 . 14 1 1 A 38 38 SER N N 38 121.811 118.760 3.051 1 1 435 . 14 1 1 A 39 39 LEU H H 39 7.023 8.606 -1.583 1 1 436 . 14 1 1 A 39 39 LEU HA H 39 3.872 3.681 0.191 1 1 446 . 14 1 1 A 39 39 LEU C C 39 179.845 178.343 1.502 1 1 447 . 14 1 1 A 39 39 LEU CA C 39 58.210 57.990 0.220 1 1 448 . 14 1 1 A 39 39 LEU CB C 39 40.711 40.524 0.187 1 1 452 . 14 1 1 A 39 39 LEU N N 39 121.811 122.778 -0.967 1 1 453 . 14 1 1 A 40 40 ALA H H 40 8.447 7.878 0.569 1 1 454 . 14 1 1 A 40 40 ALA HA H 40 3.890 3.922 -0.032 1 1 458 . 14 1 1 A 40 40 ALA C C 40 179.995 180.063 -0.068 1 1 459 . 14 1 1 A 40 40 ALA CA C 40 55.203 54.702 0.501 1 1 460 . 14 1 1 A 40 40 ALA CB C 40 18.291 18.347 -0.056 1 1 461 . 14 1 1 A 40 40 ALA N N 40 119.362 118.826 0.536 1 1 462 . 14 1 1 A 41 41 ASP H H 41 7.517 7.966 -0.449 1 1 463 . 14 1 1 A 41 41 ASP HA H 41 4.469 4.351 0.118 1 1 466 . 14 1 1 A 41 41 ASP C C 41 176.720 178.754 -2.034 1 1 467 . 14 1 1 A 41 41 ASP CA C 41 56.296 56.742 -0.446 1 1 468 . 14 1 1 A 41 41 ASP CB C 41 42.079 40.653 1.426 1 1 469 . 14 1 1 A 41 41 ASP N N 41 114.850 118.744 -3.894 1 1 470 . 14 1 1 A 42 42 MET H H 42 7.989 8.137 -0.148 1 1 471 . 14 1 1 A 42 42 MET HA H 42 4.336 4.352 -0.016 1 1 479 . 14 1 1 A 42 42 MET C C 42 175.440 177.144 -1.704 1 1 480 . 14 1 1 A 42 42 MET CA C 42 56.843 58.008 -1.165 1 1 481 . 14 1 1 A 42 42 MET CB C 42 31.962 32.189 -0.227 1 1 484 . 14 1 1 A 42 42 MET N N 42 118.847 116.236 2.611 1 1 485 . 14 1 1 A 43 43 LYS H H 43 6.901 7.117 -0.216 1 1 486 . 14 1 1 A 43 43 LYS HA H 43 4.265 4.252 0.013 1 1 494 . 14 1 1 A 43 43 LYS C C 43 177.435 177.470 -0.035 1 1 495 . 14 1 1 A 43 43 LYS CA C 43 57.664 58.432 -0.768 1 1 496 . 14 1 1 A 43 43 LYS CB C 43 33.329 32.496 0.833 1 1 500 . 14 1 1 A 43 43 LYS N N 43 116.913 119.841 -2.928 1 1 501 . 14 1 1 A 44 44 GLY H H 44 9.268 9.005 0.263 1 1 502 . 14 1 1 A 44 44 GLY HA2 H 44 3.692 4.007 -0.315 1 1 503 . 14 1 1 A 44 44 GLY HA3 H 44 4.596 4.009 0.587 1 1 504 . 14 1 1 A 44 44 GLY C C 44 173.671 173.357 0.314 1 1 505 . 14 1 1 A 44 44 GLY CA C 44 44.813 45.028 -0.215 1 1 506 . 14 1 1 A 44 44 GLY N N 44 111.112 112.127 -1.015 1 1 507 . 14 1 1 A 45 45 LYS H H 45 7.516 7.766 -0.250 1 1 508 . 14 1 1 A 45 45 LYS HA H 45 4.754 4.787 -0.033 1 1 515 . 14 1 1 A 45 45 LYS C C 45 175.214 174.698 0.516 1 1 516 . 14 1 1 A 45 45 LYS CA C 45 54.820 55.044 -0.224 1 1 517 . 14 1 1 A 45 45 LYS CB C 45 36.883 36.178 0.705 1 1 521 . 14 1 1 A 45 45 LYS N N 45 117.944 120.804 -2.860 1 1 522 . 14 1 1 A 46 46 VAL H H 46 8.887 8.604 0.283 1 1 523 . 14 1 1 A 46 46 VAL HA H 46 3.950 4.330 -0.380 1 1 531 . 14 1 1 A 46 46 VAL C C 46 174.876 175.249 -0.373 1 1 532 . 14 1 1 A 46 46 VAL CA C 46 64.773 63.250 1.523 1 1 533 . 14 1 1 A 46 46 VAL CB C 46 31.962 32.233 -0.271 1 1 536 . 14 1 1 A 46 46 VAL N N 46 124.776 124.927 -0.151 1 1 537 . 14 1 1 A 47 47 THR H H 47 8.956 8.874 0.082 1 1 538 . 14 1 1 A 47 47 THR HA H 47 5.300 5.317 -0.017 1 1 543 . 14 1 1 A 47 47 THR C C 47 172.579 173.491 -0.912 1 1 544 . 14 1 1 A 47 47 THR CA C 47 62.312 61.284 1.028 1 1 545 . 14 1 1 A 47 47 THR CB C 47 73.249 72.444 0.805 1 1 547 . 14 1 1 A 47 47 THR N N 47 124.132 120.797 3.335 1 1 548 . 14 1 1 A 48 48 ILE H H 48 9.160 9.095 0.065 1 1 549 . 14 1 1 A 48 48 ILE HA H 48 4.740 4.992 -0.252 1 1 559 . 14 1 1 A 48 48 ILE C C 48 173.972 175.291 -1.319 1 1 560 . 14 1 1 A 48 48 ILE CA C 48 61.441 59.915 1.526 1 1 561 . 14 1 1 A 48 48 ILE CB C 48 40.438 41.941 -1.503 1 1 565 . 14 1 1 A 48 48 ILE N N 48 128.515 124.734 3.781 1 1 566 . 14 1 1 A 49 49 ILE H H 49 9.507 9.325 0.182 1 1 567 . 14 1 1 A 49 49 ILE HA H 49 4.883 4.789 0.094 1 1 577 . 14 1 1 A 49 49 ILE C C 49 174.650 175.473 -0.823 1 1 578 . 14 1 1 A 49 49 ILE CA C 49 60.773 60.795 -0.022 1 1 579 . 14 1 1 A 49 49 ILE CB C 49 41.532 40.242 1.290 1 1 583 . 14 1 1 A 49 49 ILE N N 49 126.194 127.214 -1.020 1 1 584 . 14 1 1 A 50 50 SER H H 50 9.079 9.175 -0.096 1 1 585 . 14 1 1 A 50 50 SER HA H 50 5.138 5.098 0.040 1 1 588 . 14 1 1 A 50 50 SER C C 50 172.692 173.843 -1.151 1 1 589 . 14 1 1 A 50 50 SER CA C 50 56.843 58.769 -1.926 1 1 590 . 14 1 1 A 50 50 SER CB C 50 64.773 64.318 0.455 1 1 591 . 14 1 1 A 50 50 SER N N 50 121.940 123.979 -2.039 1 1 592 . 14 1 1 A 51 51 VAL H H 51 9.010 8.591 0.419 1 1 593 . 14 1 1 A 51 51 VAL HA H 51 4.873 5.016 -0.143 1 1 601 . 14 1 1 A 51 51 VAL CA C 51 61.595 61.023 0.572 1 1 602 . 14 1 1 A 51 51 VAL CB C 51 32.509 35.931 -3.422 1 1 605 . 14 1 1 A 51 51 VAL N N 51 128.128 123.225 4.903 1 1 606 . 14 1 1 A 52 52 ILE H H 52 8.182 8.744 -0.562 1 1 607 . 14 1 1 A 52 52 ILE HA H 52 4.862 4.857 0.005 1 1 616 . 14 1 1 A 52 52 ILE CA C 52 58.026 57.234 0.792 1 1 617 . 14 1 1 A 52 52 ILE CB C 52 43.172 40.506 2.666 1 1 621 . 14 1 1 A 52 52 ILE N N 52 124.776 122.858 1.918 1 1 622 . 14 1 1 A 53 53 PRO HA H 53 4.904 4.568 0.336 1 1 629 . 14 1 1 A 53 53 PRO CA C 53 65.560 64.708 0.852 1 1 630 . 14 1 1 A 53 53 PRO CB C 53 31.826 32.455 -0.629 1 1 633 . 14 1 1 A 54 54 SER H H 54 7.214 7.549 -0.335 1 1 634 . 14 1 1 A 54 54 SER HA H 54 5.100 4.772 0.328 1 1 637 . 14 1 1 A 54 54 SER CA C 54 57.417 57.322 0.095 1 1 638 . 14 1 1 A 54 54 SER CB C 54 65.195 65.599 -0.404 1 1 639 . 14 1 1 A 54 54 SER N N 54 107.901 107.149 0.752 1 1 640 . 14 1 1 A 55 55 ILE H H 55 7.330 8.968 -1.638 1 1 641 . 14 1 1 A 55 55 ILE HA H 55 5.075 3.999 1.076 1 1 651 . 14 1 1 A 55 55 ILE CA C 55 61.734 63.756 -2.022 1 1 652 . 14 1 1 A 55 55 ILE CB C 55 36.233 38.298 -2.065 1 1 656 . 14 1 1 A 56 56 ASP H H 56 8.699 8.181 0.518 1 1 657 . 14 1 1 A 56 56 ASP HA H 56 5.075 4.453 0.622 1 1 660 . 14 1 1 A 56 56 ASP CA C 56 54.407 56.284 -1.877 1 1 661 . 14 1 1 A 56 56 ASP CB C 56 42.832 41.071 1.761 1 1 662 . 14 1 1 A 56 56 ASP N N 56 121.940 121.350 0.590 1 1 663 . 14 1 1 A 57 57 THR H H 57 7.294 7.337 -0.043 1 1 664 . 14 1 1 A 57 57 THR HA H 57 4.323 4.250 0.073 1 1 669 . 14 1 1 A 57 57 THR C C 57 175.440 175.338 0.102 1 1 670 . 14 1 1 A 57 57 THR CA C 57 61.765 61.990 -0.225 1 1 671 . 14 1 1 A 57 57 THR CB C 57 69.421 69.816 -0.395 1 1 673 . 14 1 1 A 57 57 THR N N 57 108.921 110.442 -1.521 1 1 674 . 14 1 1 A 58 58 GLY H H 58 8.215 8.774 -0.559 1 1 675 . 14 1 1 A 58 58 GLY HA2 H 58 4.012 3.865 0.147 1 1 676 . 14 1 1 A 58 58 GLY HA3 H 58 4.012 3.870 0.142 1 1 677 . 14 1 1 A 58 58 GLY C C 58 173.520 175.734 -2.214 1 1 678 . 14 1 1 A 58 58 GLY CA C 58 45.360 46.179 -0.819 1 1 679 . 14 1 1 A 58 58 GLY N N 58 110.969 110.367 0.602 1 1 680 . 14 1 1 A 59 59 VAL H H 59 7.976 7.944 0.032 1 1 681 . 14 1 1 A 59 59 VAL HA H 59 4.307 3.819 0.488 1 1 689 . 14 1 1 A 59 59 VAL C C 59 175.854 178.025 -2.171 1 1 690 . 14 1 1 A 59 59 VAL CA C 59 61.765 65.108 -3.343 1 1 691 . 14 1 1 A 59 59 VAL CB C 59 33.329 31.056 2.273 1 1 694 . 14 1 1 A 59 59 VAL N N 59 118.501 117.879 0.622 1 1 696 . 14 1 1 A 61 61 ASP HA H 61 4.323 4.326 -0.003 1 1 697 . 14 1 1 A 61 61 ASP CA C 61 54.382 57.140 -2.758 1 1 698 . 14 1 1 A 61 61 ASP CB C 61 39.142 41.229 -2.087 1 1 699 . 14 1 1 A 62 62 ALA H H 62 8.663 7.680 0.983 1 1 700 . 14 1 1 A 62 62 ALA HA H 62 3.971 4.029 -0.058 1 1 704 . 14 1 1 A 62 62 ALA C C 62 180.485 177.647 2.838 1 1 705 . 14 1 1 A 62 62 ALA CA C 62 55.203 54.190 1.013 1 1 706 . 14 1 1 A 62 62 ALA CB C 62 18.838 18.923 -0.085 1 1 707 . 14 1 1 A 63 63 GLN H H 63 8.550 8.143 0.407 1 1 708 . 14 1 1 A 63 63 GLN HA H 63 3.865 4.191 -0.326 1 1 715 . 14 1 1 A 63 63 GLN C C 63 178.527 177.211 1.316 1 1 716 . 14 1 1 A 63 63 GLN CA C 63 59.346 57.127 2.219 1 1 717 . 14 1 1 A 63 63 GLN CB C 63 28.635 30.709 -2.074 1 1 719 . 14 1 1 A 63 63 GLN N N 63 117.429 116.373 1.056 1 1 721 . 14 1 1 A 64 64 THR H H 64 8.121 8.282 -0.161 1 1 722 . 14 1 1 A 64 64 THR HA H 64 3.624 3.817 -0.193 1 1 727 . 14 1 1 A 64 64 THR C C 64 178.527 176.180 2.347 1 1 728 . 14 1 1 A 64 64 THR CA C 64 66.686 67.316 -0.630 1 1 729 . 14 1 1 A 64 64 THR CB C 64 68.600 68.531 0.069 1 1 731 . 14 1 1 A 64 64 THR N N 64 118.460 116.149 2.311 1 1 732 . 14 1 1 A 65 65 ARG H H 65 7.530 8.146 -0.616 1 1 733 . 14 1 1 A 65 65 ARG HA H 65 3.904 4.023 -0.119 1 1 739 . 14 1 1 A 65 65 ARG CA C 65 59.507 59.951 -0.444 1 1 740 . 14 1 1 A 65 65 ARG CB C 65 29.637 29.681 -0.044 1 1 743 . 14 1 1 A 66 66 ARG H H 66 7.972 7.500 0.472 1 1 744 . 14 1 1 A 66 66 ARG HA H 66 4.056 3.907 0.149 1 1 751 . 14 1 1 A 66 66 ARG C C 66 177.624 178.109 -0.485 1 1 752 . 14 1 1 A 66 66 ARG CA C 66 59.031 58.990 0.041 1 1 753 . 14 1 1 A 66 66 ARG CB C 66 29.228 29.690 -0.462 1 1 756 . 14 1 1 A 66 66 ARG N N 66 118.460 119.518 -1.058 1 1 757 . 14 1 1 A 67 67 PHE H H 67 7.673 8.268 -0.595 1 1 758 . 14 1 1 A 67 67 PHE HA H 67 4.260 4.203 0.057 1 1 763 . 14 1 1 A 67 67 PHE C C 67 176.043 177.388 -1.345 1 1 764 . 14 1 1 A 67 67 PHE CA C 67 60.945 60.928 0.017 1 1 765 . 14 1 1 A 67 67 PHE CB C 67 39.071 38.910 0.161 1 1 766 . 14 1 1 A 67 67 PHE N N 67 119.362 120.326 -0.964 1 1 767 . 14 1 1 A 68 68 ASN H H 68 7.688 8.358 -0.670 1 1 768 . 14 1 1 A 68 68 ASN HA H 68 4.150 3.915 0.235 1 1 771 . 14 1 1 A 68 68 ASN C C 68 177.172 177.781 -0.609 1 1 772 . 14 1 1 A 68 68 ASN CA C 68 55.750 56.237 -0.487 1 1 773 . 14 1 1 A 68 68 ASN CB C 68 37.977 37.713 0.264 1 1 774 . 14 1 1 A 68 68 ASN N N 68 117.042 117.353 -0.311 1 1 775 . 14 1 1 A 69 69 GLU H H 69 8.185 8.412 -0.227 1 1 776 . 14 1 1 A 69 69 GLU HA H 69 3.848 3.981 -0.133 1 1 781 . 14 1 1 A 69 69 GLU C C 69 179.468 178.999 0.469 1 1 782 . 14 1 1 A 69 69 GLU CA C 69 59.577 59.271 0.306 1 1 783 . 14 1 1 A 69 69 GLU CB C 69 30.321 29.160 1.161 1 1 785 . 14 1 1 A 69 69 GLU N N 69 118.975 120.077 -1.102 1 1 786 . 14 1 1 A 70 70 GLU H H 70 8.671 8.282 0.389 1 1 787 . 14 1 1 A 70 70 GLU HA H 70 3.807 3.979 -0.172 1 1 792 . 14 1 1 A 70 70 GLU C C 70 179.468 178.914 0.554 1 1 793 . 14 1 1 A 70 70 GLU CA C 70 58.757 58.847 -0.090 1 1 794 . 14 1 1 A 70 70 GLU CB C 70 29.501 29.803 -0.302 1 1 796 . 14 1 1 A 70 70 GLU N N 70 118.975 119.821 -0.846 1 1 797 . 14 1 1 A 71 71 ALA H H 71 8.418 8.252 0.166 1 1 798 . 14 1 1 A 71 71 ALA HA H 71 3.616 3.857 -0.241 1 1 802 . 14 1 1 A 71 71 ALA C C 71 178.226 179.770 -1.544 1 1 803 . 14 1 1 A 71 71 ALA CA C 71 54.656 54.800 -0.144 1 1 804 . 14 1 1 A 71 71 ALA CB C 71 18.017 17.814 0.203 1 1 805 . 14 1 1 A 71 71 ALA N N 71 122.069 123.131 -1.062 1 1 806 . 14 1 1 A 72 72 ALA H H 72 7.520 8.116 -0.596 1 1 807 . 14 1 1 A 72 72 ALA HA H 72 3.842 3.963 -0.121 1 1 811 . 14 1 1 A 72 72 ALA C C 72 179.280 177.948 1.332 1 1 812 . 14 1 1 A 72 72 ALA CA C 72 54.109 54.391 -0.282 1 1 813 . 14 1 1 A 72 72 ALA CB C 72 18.564 18.177 0.387 1 1 814 . 14 1 1 A 72 72 ALA N N 72 116.139 119.031 -2.892 1 1 815 . 14 1 1 A 73 73 LYS H H 73 7.302 7.855 -0.553 1 1 816 . 14 1 1 A 73 73 LYS HA H 73 4.129 4.444 -0.315 1 1 825 . 14 1 1 A 73 73 LYS C C 73 177.661 177.507 0.154 1 1 826 . 14 1 1 A 73 73 LYS CA C 73 57.116 56.161 0.955 1 1 827 . 14 1 1 A 73 73 LYS CB C 73 32.782 32.797 -0.015 1 1 831 . 14 1 1 A 73 73 LYS N N 73 114.850 114.651 0.199 1 1 832 . 14 1 1 A 74 74 LEU H H 74 7.398 7.493 -0.095 1 1 833 . 14 1 1 A 74 74 LEU HA H 74 3.983 4.022 -0.039 1 1 843 . 14 1 1 A 74 74 LEU C C 74 177.021 177.011 0.010 1 1 844 . 14 1 1 A 74 74 LEU CA C 74 56.843 56.886 -0.043 1 1 845 . 14 1 1 A 74 74 LEU CB C 74 42.625 42.191 0.434 1 1 849 . 14 1 1 A 74 74 LEU N N 74 118.460 120.362 -1.902 1 1 850 . 14 1 1 A 75 75 GLY H H 75 7.174 7.519 -0.345 1 1 851 . 14 1 1 A 75 75 GLY HA2 H 75 4.215 4.034 0.181 1 1 852 . 14 1 1 A 75 75 GLY HA3 H 75 3.630 4.037 -0.407 1 1 853 . 14 1 1 A 75 75 GLY C C 75 172.805 171.999 0.806 1 1 854 . 14 1 1 A 75 75 GLY CA C 75 45.360 46.079 -0.719 1 1 855 . 14 1 1 A 75 75 GLY N N 75 102.991 104.803 -1.812 1 1 856 . 14 1 1 A 76 76 ASP H H 76 8.825 8.142 0.683 1 1 857 . 14 1 1 A 76 76 ASP HA H 76 4.766 4.994 -0.228 1 1 860 . 14 1 1 A 76 76 ASP C C 76 173.749 174.262 -0.513 1 1 861 . 14 1 1 A 76 76 ASP CA C 76 53.708 54.242 -0.534 1 1 862 . 14 1 1 A 76 76 ASP CB C 76 39.071 43.145 -4.074 1 1 863 . 14 1 1 A 76 76 ASP N N 76 126.839 118.451 8.388 1 1 864 . 14 1 1 A 77 77 VAL H H 77 7.511 8.775 -1.264 1 1 865 . 14 1 1 A 77 77 VAL HA H 77 4.772 4.912 -0.140 1 1 873 . 14 1 1 A 77 77 VAL C C 77 175.629 174.537 1.092 1 1 874 . 14 1 1 A 77 77 VAL CA C 77 58.959 58.598 0.361 1 1 875 . 14 1 1 A 77 77 VAL CB C 77 34.970 35.765 -0.795 1 1 878 . 14 1 1 A 77 77 VAL N N 77 115.615 121.253 -5.638 1 1 879 . 14 1 1 A 78 78 ASN H H 78 8.822 8.586 0.236 1 1 880 . 14 1 1 A 78 78 ASN HA H 78 4.820 4.875 -0.055 1 1 885 . 14 1 1 A 78 78 ASN C C 78 174.047 174.513 -0.466 1 1 886 . 14 1 1 A 78 78 ASN CA C 78 52.085 53.434 -1.349 1 1 887 . 14 1 1 A 78 78 ASN CB C 78 40.438 38.749 1.689 1 1 888 . 14 1 1 A 78 78 ASN N N 78 120.393 120.320 0.073 1 1 890 . 14 1 1 A 79 79 VAL H H 79 8.044 7.915 0.129 1 1 891 . 14 1 1 A 79 79 VAL HA H 79 4.669 4.745 -0.076 1 1 899 . 14 1 1 A 79 79 VAL C C 79 174.123 172.717 1.406 1 1 900 . 14 1 1 A 79 79 VAL CA C 79 61.491 59.830 1.661 1 1 901 . 14 1 1 A 79 79 VAL CB C 79 33.329 34.773 -1.444 1 1 904 . 14 1 1 A 79 79 VAL N N 79 122.456 119.438 3.018 1 1 905 . 14 1 1 A 80 80 TYR H H 80 8.944 8.750 0.194 1 1 906 . 14 1 1 A 80 80 TYR HA H 80 6.170 5.298 0.872 1 1 911 . 14 1 1 A 80 80 TYR C C 80 177.210 175.197 2.013 1 1 912 . 14 1 1 A 80 80 TYR CA C 80 54.929 55.968 -1.039 1 1 913 . 14 1 1 A 80 80 TYR CB C 80 42.899 42.862 0.037 1 1 914 . 14 1 1 A 80 80 TYR N N 80 123.229 126.040 -2.811 1 1 915 . 14 1 1 A 81 81 THR H H 81 8.465 8.747 -0.282 1 1 916 . 14 1 1 A 81 81 THR HA H 81 5.652 5.186 0.466 1 1 921 . 14 1 1 A 81 81 THR C C 81 172.880 173.759 -0.879 1 1 922 . 14 1 1 A 81 81 THR CA C 81 62.038 61.406 0.632 1 1 923 . 14 1 1 A 81 81 THR CB C 81 71.608 70.581 1.027 1 1 925 . 14 1 1 A 81 81 THR N N 81 119.491 115.867 3.624 1 1 926 . 14 1 1 A 82 82 ILE H H 82 8.958 9.291 -0.333 1 1 927 . 14 1 1 A 82 82 ILE HA H 82 5.145 4.276 0.869 1 1 937 . 14 1 1 A 82 82 ILE C C 82 174.123 175.809 -1.686 1 1 938 . 14 1 1 A 82 82 ILE CA C 82 59.847 62.346 -2.499 1 1 939 . 14 1 1 A 82 82 ILE CB C 82 39.618 37.431 2.187 1 1 943 . 14 1 1 A 82 82 ILE N N 82 125.550 128.755 -3.205 1 1 944 . 14 1 1 A 83 83 SER H H 83 7.731 8.935 -1.204 1 1 945 . 14 1 1 A 83 83 SER HA H 83 4.909 5.215 -0.306 1 1 948 . 14 1 1 A 83 83 SER C C 83 173.182 173.206 -0.024 1 1 949 . 14 1 1 A 83 83 SER CA C 83 57.034 57.880 -0.846 1 1 950 . 14 1 1 A 83 83 SER CB C 83 68.054 67.157 0.897 1 1 951 . 14 1 1 A 83 83 SER N N 83 117.171 123.204 -6.033 1 1 952 . 14 1 1 A 84 84 ALA H H 84 9.548 8.833 0.715 1 1 953 . 14 1 1 A 84 84 ALA HA H 84 4.177 4.610 -0.433 1 1 957 . 14 1 1 A 84 84 ALA C C 84 175.290 178.019 -2.729 1 1 958 . 14 1 1 A 84 84 ALA CA C 84 51.922 51.834 0.088 1 1 959 . 14 1 1 A 84 84 ALA CB C 84 19.111 20.116 -1.005 1 1 960 . 14 1 1 A 84 84 ALA N N 84 120.651 124.953 -4.302 1 1 961 . 14 1 1 A 85 85 ASP H H 85 7.739 8.724 -0.985 1 1 962 . 14 1 1 A 85 85 ASP HA H 85 4.380 4.564 -0.184 1 1 965 . 14 1 1 A 85 85 ASP C C 85 175.591 176.238 -0.647 1 1 966 . 14 1 1 A 85 85 ASP CA C 85 55.136 55.194 -0.058 1 1 967 . 14 1 1 A 85 85 ASP CB C 85 43.011 41.471 1.540 1 1 968 . 14 1 1 A 85 85 ASP N N 85 114.721 118.521 -3.800 1 1 969 . 14 1 1 A 86 86 LEU H H 86 8.475 7.211 1.264 1 1 970 . 14 1 1 A 86 86 LEU HA H 86 3.956 4.255 -0.299 1 1 980 . 14 1 1 A 86 86 LEU CA C 86 54.656 53.164 1.492 1 1 981 . 14 1 1 A 86 86 LEU CB C 86 39.380 43.638 -4.258 1 1 985 . 14 1 1 A 87 87 PRO HA H 87 4.225 4.156 0.069 1 1 992 . 14 1 1 A 87 87 PRO CA C 87 65.046 64.738 0.308 1 1 993 . 14 1 1 A 87 87 PRO CB C 87 32.264 31.387 0.877 1 1 996 . 14 1 1 A 88 88 PHE H H 88 5.565 7.852 -2.287 1 1 997 . 14 1 1 A 88 88 PHE HA H 88 4.340 4.685 -0.345 1 1 1000 . 14 1 1 A 88 88 PHE CA C 88 57.664 57.548 0.116 1 1 1001 . 14 1 1 A 88 88 PHE CB C 88 39.344 38.061 1.283 1 1 1002 . 14 1 1 A 88 88 PHE N N 88 110.725 115.877 -5.152 1 1 1003 . 14 1 1 A 89 89 ALA H H 89 7.381 7.239 0.142 1 1 1004 . 14 1 1 A 89 89 ALA HA H 89 4.239 4.737 -0.498 1 1 1008 . 14 1 1 A 89 89 ALA CA C 89 52.009 50.585 1.424 1 1 1009 . 14 1 1 A 89 89 ALA CB C 89 19.761 22.919 -3.158 1 1 1010 . 14 1 1 A 89 89 ALA N N 89 114.850 120.581 -5.731 1 1 1011 . 14 1 1 A 90 90 GLN H H 90 7.231 8.803 -1.572 1 1 1012 . 14 1 1 A 90 90 GLN HA H 90 3.695 4.025 -0.330 1 1 1018 . 14 1 1 A 90 90 GLN CA C 90 59.578 57.564 2.014 1 1 1019 . 14 1 1 A 90 90 GLN CB C 90 28.728 26.603 2.125 1 1 1022 . 14 1 1 A 91 91 ALA H H 91 7.741 8.321 -0.580 1 1 1023 . 14 1 1 A 91 91 ALA HA H 91 4.202 3.895 0.307 1 1 1027 . 14 1 1 A 91 91 ALA CA C 91 54.382 54.145 0.237 1 1 1028 . 14 1 1 A 91 91 ALA CB C 91 18.837 18.341 0.496 1 1 1029 . 14 1 1 A 91 91 ALA N N 91 118.589 121.735 -3.146 1 1 1030 . 14 1 1 A 92 92 ARG H H 92 7.354 7.765 -0.411 1 1 1031 . 14 1 1 A 92 92 ARG HA H 92 4.588 4.566 0.022 1 1 1038 . 14 1 1 A 92 92 ARG CA C 92 55.476 54.981 0.495 1 1 1039 . 14 1 1 A 92 92 ARG CB C 92 30.048 30.624 -0.576 1 1 1042 . 14 1 1 A 93 93 TRP H H 93 7.767 7.143 0.624 1 1 1043 . 14 1 1 A 93 93 TRP HA H 93 4.881 4.392 0.489 1 1 1050 . 14 1 1 A 93 93 TRP CA C 93 57.534 57.494 0.040 1 1 1051 . 14 1 1 A 93 93 TRP CB C 93 29.501 29.424 0.077 1 1 1052 . 14 1 1 A 93 93 TRP N N 93 121.927 119.519 2.408 1 1 1054 . 14 1 1 A 94 94 CYS HA H 94 3.901 4.676 -0.775 1 1 1057 . 14 1 1 A 94 94 CYS CA C 94 59.577 56.636 2.941 1 1 1058 . 14 1 1 A 94 94 CYS CB C 94 43.446 41.244 2.202 1 1 1059 . 14 1 1 A 95 95 GLY HA2 H 95 5.122 3.936 1.186 1 1 1060 . 14 1 1 A 95 95 GLY HA3 H 95 3.691 3.950 -0.259 1 1 1061 . 14 1 1 A 95 95 GLY CA C 95 45.511 45.500 0.011 1 1 1062 . 14 1 1 A 96 96 ALA H H 96 7.504 7.998 -0.494 1 1 1063 . 14 1 1 A 96 96 ALA HA H 96 4.412 3.864 0.548 1 1 1067 . 14 1 1 A 96 96 ALA CA C 96 51.699 52.555 -0.856 1 1 1068 . 14 1 1 A 96 96 ALA CB C 96 21.025 16.968 4.057 1 1 1069 . 14 1 1 A 96 96 ALA N N 96 121.579 122.179 -0.600 1 1 1070 . 14 1 1 A 97 97 ASN H H 97 7.345 7.995 -0.650 1 1 1071 . 14 1 1 A 97 97 ASN HA H 97 4.551 4.890 -0.339 1 1 1076 . 14 1 1 A 97 97 ASN CA C 97 54.929 51.686 3.243 1 1 1077 . 14 1 1 A 97 97 ASN CB C 97 39.071 38.883 0.188 1 1 1079 . 14 1 1 A 98 98 GLY H H 98 8.890 7.715 1.175 1 1 1080 . 14 1 1 A 98 98 GLY HA2 H 98 3.796 3.996 -0.200 1 1 1081 . 14 1 1 A 98 98 GLY HA3 H 98 4.070 4.001 0.069 1 1 1082 . 14 1 1 A 98 98 GLY C C 98 174.160 173.799 0.361 1 1 1083 . 14 1 1 A 98 98 GLY CA C 98 45.841 45.426 0.415 1 1 1084 . 14 1 1 A 99 99 ILE H H 99 7.739 7.582 0.157 1 1 1085 . 14 1 1 A 99 99 ILE HA H 99 4.198 4.455 -0.257 1 1 1095 . 14 1 1 A 99 99 ILE C C 99 175.561 175.350 0.211 1 1 1096 . 14 1 1 A 99 99 ILE CA C 99 60.671 59.315 1.356 1 1 1097 . 14 1 1 A 99 99 ILE CB C 99 38.524 38.425 0.099 1 1 1101 . 14 1 1 A 99 99 ILE N N 99 120.780 116.149 4.631 1 1 1102 . 14 1 1 A 100 100 ASP H H 100 8.372 8.574 -0.202 1 1 1103 . 14 1 1 A 100 100 ASP HA H 100 4.426 4.060 0.366 1 1 1106 . 14 1 1 A 100 100 ASP C C 100 176.325 177.673 -1.348 1 1 1107 . 14 1 1 A 100 100 ASP CA C 100 56.023 57.004 -0.981 1 1 1108 . 14 1 1 A 100 100 ASP CB C 100 40.985 40.510 0.475 1 1 1109 . 14 1 1 A 100 100 ASP N N 100 126.194 125.698 0.496 1 1 1110 . 14 1 1 A 101 101 LYS H H 101 8.081 7.749 0.332 1 1 1111 . 14 1 1 A 101 101 LYS HA H 101 4.052 4.167 -0.115 1 1 1120 . 14 1 1 A 101 101 LYS C C 101 175.874 177.559 -1.685 1 1 1121 . 14 1 1 A 101 101 LYS CA C 101 58.210 58.477 -0.267 1 1 1122 . 14 1 1 A 101 101 LYS CB C 101 31.689 32.078 -0.389 1 1 1126 . 14 1 1 A 101 101 LYS N N 101 115.366 116.833 -1.467 1 1 1127 . 14 1 1 A 102 102 VAL H H 102 7.631 7.653 -0.022 1 1 1128 . 14 1 1 A 102 102 VAL HA H 102 4.419 4.057 0.362 1 1 1136 . 14 1 1 A 102 102 VAL C C 102 175.145 175.973 -0.828 1 1 1137 . 14 1 1 A 102 102 VAL CA C 102 61.919 63.249 -1.330 1 1 1138 . 14 1 1 A 102 102 VAL CB C 102 32.782 32.193 0.589 1 1 1141 . 14 1 1 A 102 102 VAL N N 102 119.362 119.867 -0.505 1 1 1142 . 14 1 1 A 103 103 GLU H H 103 8.489 8.696 -0.207 1 1 1143 . 14 1 1 A 103 103 GLU HA H 103 4.931 4.589 0.342 1 1 1148 . 14 1 1 A 103 103 GLU C C 103 175.943 175.354 0.589 1 1 1149 . 14 1 1 A 103 103 GLU CA C 103 55.140 55.177 -0.037 1 1 1150 . 14 1 1 A 103 103 GLU CB C 103 33.329 34.128 -0.799 1 1 1152 . 14 1 1 A 103 103 GLU N N 103 126.581 125.087 1.494 1 1 1153 . 14 1 1 A 104 104 THR H H 104 8.690 8.693 -0.003 1 1 1154 . 14 1 1 A 104 104 THR HA H 104 5.292 5.132 0.160 1 1 1159 . 14 1 1 A 104 104 THR C C 104 173.165 174.109 -0.944 1 1 1160 . 14 1 1 A 104 104 THR CA C 104 58.757 61.029 -2.272 1 1 1161 . 14 1 1 A 104 104 THR CB C 104 69.967 70.063 -0.096 1 1 1163 . 14 1 1 A 104 104 THR N N 104 114.979 116.576 -1.597 1 1 1164 . 14 1 1 A 105 105 LEU H H 105 8.635 8.694 -0.059 1 1 1165 . 14 1 1 A 105 105 LEU HA H 105 4.979 5.153 -0.174 1 1 1175 . 14 1 1 A 105 105 LEU C C 105 176.985 176.206 0.779 1 1 1176 . 14 1 1 A 105 105 LEU CA C 105 52.849 53.603 -0.754 1 1 1177 . 14 1 1 A 105 105 LEU CB C 105 45.633 45.593 0.040 1 1 1181 . 14 1 1 A 105 105 LEU N N 105 119.233 124.016 -4.783 1 1 1182 . 14 1 1 A 106 106 SER H H 106 9.670 9.310 0.360 1 1 1183 . 14 1 1 A 106 106 SER HA H 106 5.485 4.981 0.504 1 1 1186 . 14 1 1 A 106 106 SER C C 106 176.256 174.734 1.522 1 1 1187 . 14 1 1 A 106 106 SER CA C 106 56.570 57.050 -0.480 1 1 1188 . 14 1 1 A 106 106 SER CB C 106 65.593 63.901 1.692 1 1 1189 . 14 1 1 A 106 106 SER N N 106 114.979 118.219 -3.240 1 1 1190 . 14 1 1 A 107 107 ASP H H 107 8.764 7.924 0.840 1 1 1191 . 14 1 1 A 107 107 ASP HA H 107 5.517 4.160 1.357 1 1 1194 . 14 1 1 A 107 107 ASP CA C 107 52.753 57.209 -4.456 1 1 1195 . 14 1 1 A 107 107 ASP CB C 107 45.086 41.355 3.731 1 1 1196 . 14 1 1 A 107 107 ASP N N 107 132.898 122.842 10.056 1 1 1197 . 14 1 1 A 108 108 HIS H H 108 7.940 8.532 -0.592 1 1 1198 . 14 1 1 A 108 108 HIS HA H 108 4.075 4.112 -0.037 1 1 1200 . 14 1 1 A 108 108 HIS CA C 108 59.577 59.692 -0.115 1 1 1201 . 14 1 1 A 108 108 HIS CB C 108 29.861 30.091 -0.230 1 1 1202 . 14 1 1 A 108 108 HIS N N 108 116.397 119.090 -2.693 1 1 1203 . 14 1 1 A 109 109 ARG HA H 109 4.214 4.005 0.209 1 1 1206 . 14 1 1 A 109 109 ARG CA C 109 59.031 59.568 -0.537 1 1 1207 . 14 1 1 A 109 109 ARG CB C 109 27.861 30.124 -2.263 1 1 1208 . 14 1 1 A 110 110 ASP HA H 110 4.867 4.827 0.040 1 1 1211 . 14 1 1 A 110 110 ASP C C 110 175.735 175.880 -0.145 1 1 1212 . 14 1 1 A 110 110 ASP CA C 110 53.708 52.988 0.720 1 1 1213 . 14 1 1 A 110 110 ASP CB C 110 43.875 42.444 1.431 1 1 1214 . 14 1 1 A 111 111 MET H H 111 7.899 8.597 -0.698 1 1 1215 . 14 1 1 A 111 111 MET HA H 111 4.503 4.349 0.154 1 1 1221 . 14 1 1 A 111 111 MET C C 111 177.332 175.735 1.597 1 1 1222 . 14 1 1 A 111 111 MET CA C 111 56.570 56.810 -0.240 1 1 1223 . 14 1 1 A 111 111 MET CB C 111 30.868 30.490 0.378 1 1 1226 . 14 1 1 A 111 111 MET N N 111 116.397 117.218 -0.821 1 1 1227 . 14 1 1 A 112 112 SER H H 112 7.931 7.981 -0.050 1 1 1228 . 14 1 1 A 112 112 SER HA H 112 4.248 4.030 0.218 1 1 1231 . 14 1 1 A 112 112 SER C C 112 179.173 176.007 3.166 1 1 1232 . 14 1 1 A 112 112 SER CA C 112 60.945 62.288 -1.343 1 1 1233 . 14 1 1 A 112 112 SER CB C 112 64.499 62.853 1.646 1 1 1234 . 14 1 1 A 112 112 SER N N 112 113.561 113.921 -0.360 1 1 1235 . 14 1 1 A 113 113 PHE H H 113 10.125 8.479 1.646 1 1 1236 . 14 1 1 A 113 113 PHE HA H 113 3.593 3.685 -0.092 1 1 1241 . 14 1 1 A 113 113 PHE C C 113 177.437 177.608 -0.171 1 1 1242 . 14 1 1 A 113 113 PHE CA C 113 62.312 61.092 1.220 1 1 1243 . 14 1 1 A 113 113 PHE CB C 113 37.704 38.451 -0.747 1 1 1244 . 14 1 1 A 113 113 PHE N N 113 125.550 122.207 3.343 1 1 1245 . 14 1 1 A 114 114 GLY H H 114 10.707 8.683 2.024 1 1 1246 . 14 1 1 A 114 114 GLY HA2 H 114 3.396 3.684 -0.288 1 1 1247 . 14 1 1 A 114 114 GLY HA3 H 114 3.218 3.769 -0.551 1 1 1248 . 14 1 1 A 114 114 GLY C C 114 175.735 175.747 -0.012 1 1 1249 . 14 1 1 A 114 114 GLY CA C 114 48.641 47.352 1.289 1 1 1250 . 14 1 1 A 114 114 GLY N N 114 109.178 105.814 3.364 1 1 1251 . 14 1 1 A 115 115 GLU H H 115 8.251 8.044 0.207 1 1 1252 . 14 1 1 A 115 115 GLU HA H 115 4.431 4.181 0.250 1 1 1257 . 14 1 1 A 115 115 GLU C C 115 178.756 178.361 0.395 1 1 1258 . 14 1 1 A 115 115 GLU CA C 115 59.031 58.813 0.218 1 1 1259 . 14 1 1 A 115 115 GLU CB C 115 29.775 29.127 0.648 1 1 1261 . 14 1 1 A 115 115 GLU N N 115 120.522 121.527 -1.005 1 1 1262 . 14 1 1 A 116 116 ALA H H 116 7.895 8.153 -0.258 1 1 1263 . 14 1 1 A 116 116 ALA HA H 116 4.111 4.148 -0.037 1 1 1267 . 14 1 1 A 116 116 ALA C C 116 177.610 179.197 -1.587 1 1 1268 . 14 1 1 A 116 116 ALA CA C 116 55.476 55.014 0.462 1 1 1269 . 14 1 1 A 116 116 ALA CB C 116 18.838 18.725 0.113 1 1 1270 . 14 1 1 A 116 116 ALA N N 116 123.100 121.813 1.287 1 1 1271 . 14 1 1 A 117 117 PHE H H 117 8.161 7.766 0.395 1 1 1272 . 14 1 1 A 117 117 PHE HA H 117 4.262 4.355 -0.093 1 1 1277 . 14 1 1 A 117 117 PHE C C 117 175.353 175.474 -0.121 1 1 1278 . 14 1 1 A 117 117 PHE CA C 117 56.843 57.167 -0.324 1 1 1279 . 14 1 1 A 117 117 PHE CB C 117 38.251 38.117 0.134 1 1 1280 . 14 1 1 A 117 117 PHE N N 117 113.432 112.639 0.793 1 1 1281 . 14 1 1 A 118 118 GLY H H 118 7.685 7.789 -0.104 1 1 1282 . 14 1 1 A 118 118 GLY HA2 H 118 3.544 4.039 -0.495 1 1 1283 . 14 1 1 A 118 118 GLY HA3 H 118 4.362 4.064 0.298 1 1 1284 . 14 1 1 A 118 118 GLY C C 118 174.901 175.445 -0.544 1 1 1285 . 14 1 1 A 118 118 GLY CA C 118 47.274 46.656 0.618 1 1 1286 . 14 1 1 A 118 118 GLY N N 118 112.143 108.074 4.069 1 1 1287 . 14 1 1 A 119 119 VAL H H 119 8.380 7.884 0.496 1 1 1288 . 14 1 1 A 119 119 VAL HA H 119 4.788 4.472 0.316 1 1 1296 . 14 1 1 A 119 119 VAL C C 119 174.901 175.884 -0.983 1 1 1297 . 14 1 1 A 119 119 VAL CA C 119 59.532 62.313 -2.781 1 1 1298 . 14 1 1 A 119 119 VAL CB C 119 32.509 32.525 -0.016 1 1 1301 . 14 1 1 A 119 119 VAL N N 119 102.475 117.567 -15.092 1 1 1302 . 14 1 1 A 120 120 TYR H H 120 6.841 7.744 -0.903 1 1 1303 . 14 1 1 A 120 120 TYR HA H 120 4.484 4.617 -0.133 1 1 1308 . 14 1 1 A 120 120 TYR C C 120 173.443 175.102 -1.659 1 1 1309 . 14 1 1 A 120 120 TYR CA C 120 54.929 57.300 -2.371 1 1 1310 . 14 1 1 A 120 120 TYR CB C 120 37.704 38.413 -0.709 1 1 1311 . 14 1 1 A 120 120 TYR N N 120 124.518 124.786 -0.268 1 1 1312 . 14 1 1 A 121 121 ILE H H 121 9.244 8.975 0.269 1 1 1313 . 14 1 1 A 121 121 ILE HA H 121 4.419 4.007 0.412 1 1 1323 . 14 1 1 A 121 121 ILE C C 121 176.221 176.600 -0.379 1 1 1324 . 14 1 1 A 121 121 ILE CA C 121 62.014 62.202 -0.188 1 1 1325 . 14 1 1 A 121 121 ILE CB C 121 37.704 37.040 0.664 1 1 1329 . 14 1 1 A 121 121 ILE N N 121 128.772 129.280 -0.508 1 1 1330 . 14 1 1 A 122 122 LYS H H 122 9.328 8.839 0.489 1 1 1331 . 14 1 1 A 122 122 LYS HA H 122 3.588 3.479 0.109 1 1 1340 . 14 1 1 A 122 122 LYS C C 122 179.069 177.735 1.334 1 1 1341 . 14 1 1 A 122 122 LYS CA C 122 60.124 59.663 0.461 1 1 1342 . 14 1 1 A 122 122 LYS CB C 122 33.329 32.133 1.196 1 1 1346 . 14 1 1 A 122 122 LYS N N 122 134.955 129.858 5.097 1 1 1347 . 14 1 1 A 123 123 GLU H H 123 10.228 7.627 2.601 1 1 1348 . 14 1 1 A 123 123 GLU HA H 123 3.919 4.221 -0.302 1 1 1353 . 14 1 1 A 123 123 GLU C C 123 176.638 176.616 0.022 1 1 1354 . 14 1 1 A 123 123 GLU CA C 123 61.218 57.069 4.149 1 1 1355 . 14 1 1 A 123 123 GLU CB C 123 29.228 29.803 -0.575 1 1 1357 . 14 1 1 A 123 123 GLU N N 123 115.624 117.157 -1.533 1 1 1358 . 14 1 1 A 124 124 LEU H H 124 6.480 7.281 -0.801 1 1 1359 . 14 1 1 A 124 124 LEU HA H 124 4.464 4.497 -0.033 1 1 1369 . 14 1 1 A 124 124 LEU C C 124 175.403 176.537 -1.134 1 1 1370 . 14 1 1 A 124 124 LEU CA C 124 53.562 54.516 -0.954 1 1 1371 . 14 1 1 A 124 124 LEU CB C 124 44.813 44.426 0.387 1 1 1375 . 14 1 1 A 124 124 LEU N N 124 110.434 120.275 -9.841 1 1 1376 . 14 1 1 A 125 125 ARG H H 125 8.701 7.945 0.756 1 1 1377 . 14 1 1 A 125 125 ARG HA H 125 3.783 3.933 -0.150 1 1 1380 . 14 1 1 A 125 125 ARG C C 125 173.029 174.571 -1.542 1 1 1381 . 14 1 1 A 125 125 ARG CA C 125 57.664 57.299 0.365 1 1 1382 . 14 1 1 A 125 125 ARG CB C 125 30.965 27.230 3.735 1 1 1383 . 14 1 1 A 125 125 ARG N N 125 121.940 117.111 4.829 1 1 1384 . 14 1 1 A 126 126 LEU H H 126 6.671 7.542 -0.871 1 1 1385 . 14 1 1 A 126 126 LEU HA H 126 4.621 4.946 -0.325 1 1 1395 . 14 1 1 A 126 126 LEU C C 126 174.203 175.899 -1.696 1 1 1396 . 14 1 1 A 126 126 LEU CA C 126 51.922 53.368 -1.446 1 1 1397 . 14 1 1 A 126 126 LEU CB C 126 46.727 45.094 1.633 1 1 1401 . 14 1 1 A 126 126 LEU N N 126 111.885 118.659 -6.774 1 1 1402 . 14 1 1 A 127 127 LEU H H 127 8.447 8.778 -0.331 1 1 1403 . 14 1 1 A 127 127 LEU HA H 127 5.153 4.616 0.537 1 1 1413 . 14 1 1 A 127 127 LEU C C 127 175.145 176.909 -1.764 1 1 1414 . 14 1 1 A 127 127 LEU CA C 127 52.742 54.612 -1.870 1 1 1415 . 14 1 1 A 127 127 LEU CB C 127 43.172 42.184 0.988 1 1 1419 . 14 1 1 A 127 127 LEU N N 127 118.983 121.879 -2.896 1 1 1420 . 14 1 1 A 128 128 ALA H H 128 9.160 9.044 0.116 1 1 1421 . 14 1 1 A 128 128 ALA HA H 128 3.843 4.454 -0.611 1 1 1425 . 14 1 1 A 128 128 ALA C C 128 176.603 177.291 -0.688 1 1 1426 . 14 1 1 A 128 128 ALA CA C 128 52.469 52.645 -0.176 1 1 1427 . 14 1 1 A 128 128 ALA CB C 128 18.291 19.434 -1.143 1 1 1428 . 14 1 1 A 128 128 ALA N N 128 121.682 127.540 -5.858 1 1 1429 . 14 1 1 A 129 129 ARG H H 129 6.254 8.727 -2.473 1 1 1430 . 14 1 1 A 129 129 ARG HA H 129 4.700 4.407 0.293 1 1 1436 . 14 1 1 A 129 129 ARG C C 129 176.534 175.628 0.906 1 1 1437 . 14 1 1 A 129 129 ARG CA C 129 55.651 56.988 -1.337 1 1 1438 . 14 1 1 A 129 129 ARG CB C 129 29.775 30.714 -0.939 1 1 1441 . 14 1 1 A 129 129 ARG N N 129 120.393 124.591 -4.198 1 1 1442 . 14 1 1 A 130 130 SER H H 130 8.398 8.283 0.115 1 1 1443 . 14 1 1 A 130 130 SER HA H 130 4.767 4.893 -0.126 1 1 1446 . 14 1 1 A 130 130 SER C C 130 172.957 172.699 0.258 1 1 1447 . 14 1 1 A 130 130 SER CA C 130 57.658 57.388 0.270 1 1 1448 . 14 1 1 A 130 130 SER CB C 130 63.679 66.400 -2.721 1 1 1449 . 14 1 1 A 130 130 SER N N 130 120.264 119.393 0.871 1 1 1450 . 14 1 1 A 131 131 VAL H H 131 7.838 8.150 -0.312 1 1 1451 . 14 1 1 A 131 131 VAL HA H 131 5.086 5.255 -0.169 1 1 1459 . 14 1 1 A 131 131 VAL C C 131 172.853 174.169 -1.316 1 1 1460 . 14 1 1 A 131 131 VAL CA C 131 60.746 59.570 1.176 1 1 1461 . 14 1 1 A 131 131 VAL CB C 131 36.610 35.914 0.696 1 1 1464 . 14 1 1 A 131 131 VAL N N 131 118.460 114.577 3.883 1 1 1465 . 14 1 1 A 132 132 PHE H H 132 9.259 9.365 -0.106 1 1 1466 . 14 1 1 A 132 132 PHE HA H 132 5.583 5.510 0.073 1 1 1470 . 14 1 1 A 132 132 PHE C C 132 174.797 174.950 -0.153 1 1 1471 . 14 1 1 A 132 132 PHE CA C 132 56.296 56.255 0.041 1 1 1472 . 14 1 1 A 132 132 PHE CB C 132 44.539 43.862 0.677 1 1 1473 . 14 1 1 A 132 132 PHE N N 132 121.682 121.358 0.324 1 1 1474 . 14 1 1 A 133 133 VAL H H 133 8.907 8.867 0.040 1 1 1475 . 14 1 1 A 133 133 VAL HA H 133 5.331 5.114 0.217 1 1 1483 . 14 1 1 A 133 133 VAL C C 133 174.450 175.202 -0.752 1 1 1484 . 14 1 1 A 133 133 VAL CA C 133 61.491 60.740 0.751 1 1 1485 . 14 1 1 A 133 133 VAL CB C 133 34.696 35.995 -1.299 1 1 1488 . 14 1 1 A 133 133 VAL N N 133 119.878 120.519 -0.641 1 1 1489 . 14 1 1 A 134 134 LEU H H 134 9.976 9.210 0.766 1 1 1490 . 14 1 1 A 134 134 LEU HA H 134 5.680 5.277 0.403 1 1 1500 . 14 1 1 A 134 134 LEU C C 134 176.777 175.402 1.375 1 1 1501 . 14 1 1 A 134 134 LEU CA C 134 52.195 53.376 -1.181 1 1 1502 . 14 1 1 A 134 134 LEU CB C 134 44.813 45.898 -1.085 1 1 1506 . 14 1 1 A 134 134 LEU N N 134 129.417 126.640 2.777 1 1 1507 . 14 1 1 A 135 135 ASP H H 135 9.051 9.236 -0.185 1 1 1508 . 14 1 1 A 135 135 ASP HA H 135 4.708 4.667 0.041 1 1 1511 . 14 1 1 A 135 135 ASP C C 135 177.193 177.392 -0.199 1 1 1512 . 14 1 1 A 135 135 ASP CA C 135 52.276 54.214 -1.938 1 1 1513 . 14 1 1 A 135 135 ASP CB C 135 40.711 42.502 -1.791 1 1 1514 . 14 1 1 A 135 135 ASP N N 135 119.362 125.208 -5.846 1 1 1515 . 14 1 1 A 136 136 GLU H H 136 9.970 9.122 0.848 1 1 1516 . 14 1 1 A 136 136 GLU HA H 136 3.953 3.961 -0.008 1 1 1521 . 14 1 1 A 136 136 GLU C C 136 177.055 177.824 -0.769 1 1 1522 . 14 1 1 A 136 136 GLU CA C 136 58.757 60.208 -1.451 1 1 1523 . 14 1 1 A 136 136 GLU CB C 136 28.681 29.739 -1.058 1 1 1525 . 14 1 1 A 136 136 GLU N N 136 116.011 125.636 -9.625 1 1 1526 . 14 1 1 A 137 137 ASN H H 137 8.514 8.289 0.225 1 1 1527 . 14 1 1 A 137 137 ASN HA H 137 5.026 4.660 0.366 1 1 1532 . 14 1 1 A 137 137 ASN C C 137 175.943 175.684 0.259 1 1 1533 . 14 1 1 A 137 137 ASN CA C 137 52.753 52.538 0.215 1 1 1534 . 14 1 1 A 137 137 ASN CB C 137 40.164 38.081 2.083 1 1 1535 . 14 1 1 A 137 137 ASN N N 137 117.042 113.170 3.872 1 1 1537 . 14 1 1 A 138 138 GLY H H 138 8.430 8.337 0.093 1 1 1538 . 14 1 1 A 138 138 GLY HA2 H 138 3.690 3.988 -0.298 1 1 1539 . 14 1 1 A 138 138 GLY HA3 H 138 4.213 4.017 0.196 1 1 1540 . 14 1 1 A 138 138 GLY C C 138 172.436 174.546 -2.110 1 1 1541 . 14 1 1 A 138 138 GLY CA C 138 46.180 45.154 1.026 1 1 1542 . 14 1 1 A 138 138 GLY N N 138 109.565 108.687 0.878 1 1 1543 . 14 1 1 A 139 139 LYS H H 139 8.573 8.007 0.566 1 1 1544 . 14 1 1 A 139 139 LYS HA H 139 4.472 4.297 0.175 1 1 1553 . 14 1 1 A 139 139 LYS C C 139 176.742 175.717 1.025 1 1 1554 . 14 1 1 A 139 139 LYS CA C 139 56.195 56.188 0.007 1 1 1555 . 14 1 1 A 139 139 LYS CB C 139 32.782 32.699 0.083 1 1 1559 . 14 1 1 A 139 139 LYS N N 139 123.358 122.448 0.910 1 1 1560 . 14 1 1 A 140 140 VAL H H 140 9.102 8.571 0.531 1 1 1561 . 14 1 1 A 140 140 VAL HA H 140 4.293 4.550 -0.257 1 1 1569 . 14 1 1 A 140 140 VAL C C 140 177.124 176.479 0.645 1 1 1570 . 14 1 1 A 140 140 VAL CA C 140 63.952 62.364 1.588 1 1 1571 . 14 1 1 A 140 140 VAL CB C 140 31.142 32.136 -0.994 1 1 1574 . 14 1 1 A 140 140 VAL N N 140 125.292 124.952 0.340 1 1 1575 . 14 1 1 A 141 141 VAL H H 141 9.332 9.182 0.150 1 1 1576 . 14 1 1 A 141 141 VAL HA H 141 4.670 4.250 0.420 1 1 1584 . 14 1 1 A 141 141 VAL C C 141 175.249 175.130 0.119 1 1 1585 . 14 1 1 A 141 141 VAL CA C 141 61.491 63.828 -2.337 1 1 1586 . 14 1 1 A 141 141 VAL CB C 141 32.509 32.721 -0.212 1 1 1589 . 14 1 1 A 141 141 VAL N N 141 124.261 124.764 -0.503 1 1 1590 . 14 1 1 A 142 142 TYR H H 142 7.959 7.566 0.393 1 1 1591 . 14 1 1 A 142 142 TYR HA H 142 4.389 4.805 -0.416 1 1 1596 . 14 1 1 A 142 142 TYR C C 142 172.262 173.568 -1.306 1 1 1597 . 14 1 1 A 142 142 TYR CA C 142 58.757 58.025 0.732 1 1 1598 . 14 1 1 A 142 142 TYR CB C 142 41.805 41.610 0.195 1 1 1599 . 14 1 1 A 142 142 TYR N N 142 122.198 120.968 1.230 1 1 1600 . 14 1 1 A 143 143 ALA H H 143 7.642 7.911 -0.269 1 1 1601 . 14 1 1 A 143 143 ALA HA H 143 4.883 4.862 0.021 1 1 1605 . 14 1 1 A 143 143 ALA C C 143 175.353 175.136 0.217 1 1 1606 . 14 1 1 A 143 143 ALA CA C 143 51.703 51.614 0.089 1 1 1607 . 14 1 1 A 143 143 ALA CB C 143 22.666 22.045 0.621 1 1 1608 . 14 1 1 A 143 143 ALA N N 143 129.804 128.641 1.163 1 1 1609 . 14 1 1 A 144 144 GLU H H 144 8.292 8.091 0.201 1 1 1610 . 14 1 1 A 144 144 GLU HA H 144 4.297 4.654 -0.357 1 1 1615 . 14 1 1 A 144 144 GLU C C 144 173.860 173.704 0.156 1 1 1616 . 14 1 1 A 144 144 GLU CA C 144 56.296 55.247 1.049 1 1 1617 . 14 1 1 A 144 144 GLU CB C 144 32.509 33.815 -1.306 1 1 1619 . 14 1 1 A 144 144 GLU N N 144 122.198 121.632 0.566 1 1 1620 . 14 1 1 A 145 145 TYR H H 145 9.006 9.018 -0.012 1 1 1621 . 14 1 1 A 145 145 TYR HA H 145 4.125 5.107 -0.982 1 1 1626 . 14 1 1 A 145 145 TYR C C 145 175.164 175.242 -0.078 1 1 1627 . 14 1 1 A 145 145 TYR CA C 145 57.117 56.744 0.373 1 1 1628 . 14 1 1 A 145 145 TYR CB C 145 38.251 40.159 -1.908 1 1 1629 . 14 1 1 A 145 145 TYR N N 145 128.128 123.534 4.594 1 1 1630 . 14 1 1 A 146 146 VAL H H 146 7.441 9.006 -1.565 1 1 1631 . 14 1 1 A 146 146 VAL HA H 146 3.672 3.997 -0.325 1 1 1639 . 14 1 1 A 146 146 VAL C C 146 176.777 176.262 0.515 1 1 1640 . 14 1 1 A 146 146 VAL CA C 146 64.226 63.693 0.533 1 1 1641 . 14 1 1 A 146 146 VAL CB C 146 30.868 31.764 -0.896 1 1 1644 . 14 1 1 A 146 146 VAL N N 146 125.808 126.317 -0.509 1 1 1645 . 14 1 1 A 147 147 SER H H 147 8.359 8.813 -0.454 1 1 1646 . 14 1 1 A 147 147 SER HA H 147 4.007 4.470 -0.463 1 1 1649 . 14 1 1 A 147 147 SER C C 147 172.123 174.494 -2.371 1 1 1650 . 14 1 1 A 147 147 SER CA C 147 63.132 59.599 3.533 1 1 1651 . 14 1 1 A 147 147 SER CB C 147 62.859 63.047 -0.188 1 1 1652 . 14 1 1 A 147 147 SER N N 147 121.425 121.449 -0.024 1 1 1653 . 14 1 1 A 148 148 GLU H H 148 7.177 7.818 -0.641 1 1 1654 . 14 1 1 A 148 148 GLU HA H 148 5.055 4.819 0.236 1 1 1659 . 14 1 1 A 148 148 GLU C C 148 176.082 176.501 -0.419 1 1 1660 . 14 1 1 A 148 148 GLU CA C 148 52.563 55.286 -2.723 1 1 1661 . 14 1 1 A 148 148 GLU CB C 148 29.774 32.011 -2.237 1 1 1663 . 14 1 1 A 148 148 GLU N N 148 119.620 121.316 -1.696 1 1 1664 . 14 1 1 A 149 149 ALA H H 149 9.142 9.387 -0.245 1 1 1665 . 14 1 1 A 149 149 ALA HA H 149 4.704 4.040 0.664 1 1 1669 . 14 1 1 A 149 149 ALA C C 149 177.437 178.467 -1.030 1 1 1670 . 14 1 1 A 149 149 ALA CA C 149 54.466 55.276 -0.810 1 1 1671 . 14 1 1 A 149 149 ALA CB C 149 19.111 18.547 0.564 1 1 1672 . 14 1 1 A 149 149 ALA N N 149 127.741 129.567 -1.826 1 1 1673 . 14 1 1 A 150 150 THR H H 150 8.200 7.601 0.599 1 1 1674 . 14 1 1 A 150 150 THR HA H 150 4.393 4.337 0.056 1 1 1679 . 14 1 1 A 150 150 THR C C 150 174.554 173.421 1.133 1 1 1680 . 14 1 1 A 150 150 THR CA C 150 62.312 61.978 0.334 1 1 1681 . 14 1 1 A 150 150 THR CB C 150 69.694 68.986 0.708 1 1 1683 . 14 1 1 A 150 150 THR N N 150 104.453 106.215 -1.762 1 1 1684 . 14 1 1 A 151 151 ASN H H 151 7.984 7.465 0.519 1 1 1685 . 14 1 1 A 151 151 ASN HA H 151 4.947 5.103 -0.156 1 1 1690 . 14 1 1 A 151 151 ASN C C 151 174.554 173.476 1.078 1 1 1691 . 14 1 1 A 151 151 ASN CA C 151 51.135 51.438 -0.303 1 1 1692 . 14 1 1 A 151 151 ASN CB C 151 39.344 42.133 -2.789 1 1 1693 . 14 1 1 A 151 151 ASN N N 151 123.487 120.656 2.831 1 1 1695 . 14 1 1 A 152 152 HIS H H 152 8.160 8.644 -0.484 1 1 1696 . 14 1 1 A 152 152 HIS HA H 152 4.731 5.345 -0.614 1 1 1700 . 14 1 1 A 152 152 HIS C C 152 174.381 172.859 1.522 1 1 1701 . 14 1 1 A 152 152 HIS CA C 152 54.854 53.385 1.469 1 1 1702 . 14 1 1 A 152 152 HIS CB C 152 31.415 32.301 -0.886 1 1 1703 . 14 1 1 A 152 152 HIS N N 152 116.139 116.651 -0.512 1 1 1704 . 14 1 1 A 153 153 PRO HA H 153 4.335 4.542 -0.207 1 1 1709 . 14 1 1 A 153 153 PRO C C 153 173.894 176.429 -2.535 1 1 1710 . 14 1 1 A 153 153 PRO CA C 153 61.491 62.170 -0.679 1 1 1711 . 14 1 1 A 153 153 PRO CB C 153 32.782 32.993 -0.211 1 1 1714 . 14 1 1 A 154 154 ASN H H 154 9.511 8.639 0.872 1 1 1715 . 14 1 1 A 154 154 ASN HA H 154 4.306 4.723 -0.417 1 1 1720 . 14 1 1 A 154 154 ASN C C 154 176.568 175.529 1.039 1 1 1721 . 14 1 1 A 154 154 ASN CA C 154 54.656 52.251 2.405 1 1 1722 . 14 1 1 A 154 154 ASN CB C 154 39.071 37.973 1.098 1 1 1723 . 14 1 1 A 154 154 ASN N N 154 118.718 119.728 -1.010 1 1 1725 . 14 1 1 A 155 155 TYR H H 155 8.691 7.925 0.766 1 1 1726 . 14 1 1 A 155 155 TYR HA H 155 4.364 4.208 0.156 1 1 1731 . 14 1 1 A 155 155 TYR C C 155 176.256 176.916 -0.660 1 1 1732 . 14 1 1 A 155 155 TYR CA C 155 59.304 59.243 0.061 1 1 1733 . 14 1 1 A 155 155 TYR CB C 155 39.344 37.465 1.879 1 1 1734 . 14 1 1 A 155 155 TYR N N 155 125.421 124.659 0.762 1 1 1735 . 14 1 1 A 156 156 GLU H H 156 8.200 7.886 0.314 1 1 1736 . 14 1 1 A 156 156 GLU HA H 156 4.415 4.187 0.228 1 1 1741 . 14 1 1 A 156 156 GLU C C 156 178.583 179.030 -0.447 1 1 1742 . 14 1 1 A 156 156 GLU CA C 156 58.757 59.164 -0.407 1 1 1743 . 14 1 1 A 156 156 GLU CB C 156 30.868 28.979 1.889 1 1 1745 . 14 1 1 A 156 156 GLU N N 156 119.878 122.667 -2.789 1 1 1746 . 14 1 1 A 157 157 LYS H H 157 8.718 7.581 1.137 1 1 1747 . 14 1 1 A 157 157 LYS HA H 157 4.095 4.066 0.029 1 1 1756 . 14 1 1 A 157 157 LYS C C 157 176.152 175.551 0.601 1 1 1757 . 14 1 1 A 157 157 LYS CA C 157 60.398 61.423 -1.025 1 1 1758 . 14 1 1 A 157 157 LYS CB C 157 30.595 30.583 0.012 1 1 1762 . 14 1 1 A 157 157 LYS N N 157 121.167 120.071 1.096 1 1 1763 . 14 1 1 A 158 158 PRO HA H 158 3.116 3.947 -0.831 1 1 1770 . 14 1 1 A 158 158 PRO C C 158 177.853 179.469 -1.616 1 1 1771 . 14 1 1 A 158 158 PRO CA C 158 65.319 64.899 0.420 1 1 1772 . 14 1 1 A 158 158 PRO CB C 158 30.595 30.406 0.189 1 1 1775 . 14 1 1 A 159 159 ILE H H 159 6.215 7.194 -0.979 1 1 1776 . 14 1 1 A 159 159 ILE HA H 159 3.594 3.875 -0.281 1 1 1786 . 14 1 1 A 159 159 ILE C C 159 177.610 177.589 0.021 1 1 1787 . 14 1 1 A 159 159 ILE CA C 159 62.312 64.369 -2.057 1 1 1788 . 14 1 1 A 159 159 ILE CB C 159 35.516 37.898 -2.382 1 1 1792 . 14 1 1 A 159 159 ILE N N 159 113.948 116.811 -2.863 1 1 1793 . 14 1 1 A 160 160 GLU H H 160 7.572 8.628 -1.056 1 1 1794 . 14 1 1 A 160 160 GLU HA H 160 3.876 3.998 -0.122 1 1 1799 . 14 1 1 A 160 160 GLU C C 160 179.277 179.603 -0.326 1 1 1800 . 14 1 1 A 160 160 GLU CA C 160 59.304 59.256 0.048 1 1 1801 . 14 1 1 A 160 160 GLU CB C 160 29.774 29.422 0.352 1 1 1803 . 14 1 1 A 160 160 GLU N N 160 119.104 120.377 -1.273 1 1 1804 . 14 1 1 A 161 161 ALA H H 161 7.902 8.197 -0.295 1 1 1805 . 14 1 1 A 161 161 ALA HA H 161 4.137 4.188 -0.051 1 1 1809 . 14 1 1 A 161 161 ALA C C 161 179.485 180.012 -0.527 1 1 1810 . 14 1 1 A 161 161 ALA CA C 161 54.656 55.038 -0.382 1 1 1811 . 14 1 1 A 161 161 ALA CB C 161 18.017 18.103 -0.086 1 1 1812 . 14 1 1 A 161 161 ALA N N 161 120.393 123.639 -3.246 1 1 1813 . 14 1 1 A 162 162 ALA H H 162 7.734 7.991 -0.257 1 1 1814 . 14 1 1 A 162 162 ALA HA H 162 3.950 4.084 -0.134 1 1 1818 . 14 1 1 A 162 162 ALA C C 162 179.485 179.649 -0.164 1 1 1819 . 14 1 1 A 162 162 ALA CA C 162 54.656 55.238 -0.582 1 1 1820 . 14 1 1 A 162 162 ALA CB C 162 19.111 18.202 0.909 1 1 1821 . 14 1 1 A 162 162 ALA N N 162 118.202 121.054 -2.852 1 1 1822 . 14 1 1 A 163 163 LYS H H 163 8.760 8.523 0.237 1 1 1823 . 14 1 1 A 163 163 LYS HA H 163 3.842 4.024 -0.182 1 1 1832 . 14 1 1 A 163 163 LYS C C 163 178.201 179.416 -1.215 1 1 1833 . 14 1 1 A 163 163 LYS CA C 163 59.578 59.333 0.245 1 1 1834 . 14 1 1 A 163 163 LYS CB C 163 32.782 32.075 0.707 1 1 1838 . 14 1 1 A 163 163 LYS N N 163 118.202 117.060 1.142 1 1 1839 . 14 1 1 A 164 164 ALA H H 164 7.216 8.347 -1.131 1 1 1840 . 14 1 1 A 164 164 ALA HA H 164 4.215 4.101 0.114 1 1 1844 . 14 1 1 A 164 164 ALA C C 164 178.339 179.519 -1.180 1 1 1845 . 14 1 1 A 164 164 ALA CA C 164 53.836 54.816 -0.980 1 1 1846 . 14 1 1 A 164 164 ALA CB C 164 18.291 18.608 -0.317 1 1 1847 . 14 1 1 A 164 164 ALA N N 164 117.557 121.346 -3.789 1 1 1848 . 14 1 1 A 165 165 LEU H H 165 7.503 7.729 -0.226 1 1 1849 . 14 1 1 A 165 165 LEU HA H 165 4.432 4.299 0.133 1 1 1859 . 14 1 1 A 165 165 LEU C C 165 177.714 178.904 -1.190 1 1 1860 . 14 1 1 A 165 165 LEU CA C 165 54.929 57.078 -2.149 1 1 1861 . 14 1 1 A 165 165 LEU CB C 165 44.256 42.395 1.861 1 1 1865 . 14 1 1 A 165 165 LEU N N 165 115.753 119.573 -3.820 1 1 1866 . 14 1 1 A 166 166 VAL H H 166 7.337 8.165 -0.828 1 1 1867 . 14 1 1 A 166 166 VAL HA H 166 4.103 3.582 0.521 1 1 1875 . 14 1 1 A 166 166 VAL C C 166 175.040 175.676 -0.636 1 1 1876 . 14 1 1 A 166 166 VAL CA C 166 62.859 66.689 -3.830 1 1 1877 . 14 1 1 A 166 166 VAL CB C 166 32.509 31.698 0.811 1 1 1880 . 14 1 1 A 166 166 VAL N N 166 118.589 118.105 0.484 1 1 1 . 15 1 1 A 2 2 ALA HA H 2 3.876 5.393 -1.517 1 1 5 . 15 1 1 A 2 2 ALA C C 2 172.590 175.368 -2.778 1 1 6 . 15 1 1 A 2 2 ALA CA C 2 51.922 50.118 1.804 1 1 7 . 15 1 1 A 2 2 ALA CB C 2 18.924 23.185 -4.261 1 1 8 . 15 1 1 A 3 3 GLU H H 3 8.262 8.727 -0.465 1 1 9 . 15 1 1 A 3 3 GLU HA H 3 4.641 4.808 -0.167 1 1 14 . 15 1 1 A 3 3 GLU C C 3 175.157 174.596 0.561 1 1 15 . 15 1 1 A 3 3 GLU CA C 3 55.476 55.251 0.225 1 1 16 . 15 1 1 A 3 3 GLU CB C 3 31.142 34.102 -2.960 1 1 18 . 15 1 1 A 3 3 GLU N N 3 121.167 119.743 1.424 1 1 19 . 15 1 1 A 4 4 ILE H H 4 9.053 8.416 0.637 1 1 20 . 15 1 1 A 4 4 ILE HA H 4 5.361 5.081 0.280 1 1 30 . 15 1 1 A 4 4 ILE C C 4 175.817 174.727 1.090 1 1 31 . 15 1 1 A 4 4 ILE CA C 4 59.304 59.133 0.171 1 1 32 . 15 1 1 A 4 4 ILE CB C 4 42.079 42.767 -0.688 1 1 36 . 15 1 1 A 4 4 ILE N N 4 124.776 120.051 4.725 1 1 37 . 15 1 1 A 5 5 THR H H 5 8.977 8.321 0.656 1 1 38 . 15 1 1 A 5 5 THR HA H 5 5.141 5.531 -0.390 1 1 43 . 15 1 1 A 5 5 THR C C 5 173.483 173.343 0.140 1 1 44 . 15 1 1 A 5 5 THR CA C 5 59.304 61.238 -1.934 1 1 45 . 15 1 1 A 5 5 THR CB C 5 73.249 72.002 1.247 1 1 47 . 15 1 1 A 5 5 THR N N 5 112.659 115.712 -3.053 1 1 48 . 15 1 1 A 6 6 PHE H H 6 9.173 9.373 -0.200 1 1 49 . 15 1 1 A 6 6 PHE HA H 6 4.866 4.902 -0.036 1 1 53 . 15 1 1 A 6 6 PHE C C 6 175.591 174.758 0.833 1 1 54 . 15 1 1 A 6 6 PHE CA C 6 58.054 57.636 0.418 1 1 55 . 15 1 1 A 6 6 PHE CB C 6 42.625 42.760 -0.135 1 1 56 . 15 1 1 A 6 6 PHE N N 6 119.362 125.676 -6.314 1 1 57 . 15 1 1 A 7 7 LYS H H 7 11.130 9.240 1.890 1 1 58 . 15 1 1 A 7 7 LYS HA H 7 3.567 3.738 -0.171 1 1 67 . 15 1 1 A 7 7 LYS C C 7 177.661 176.773 0.888 1 1 68 . 15 1 1 A 7 7 LYS CA C 7 57.390 57.009 0.381 1 1 69 . 15 1 1 A 7 7 LYS CB C 7 29.222 29.874 -0.652 1 1 73 . 15 1 1 A 7 7 LYS N N 7 134.058 128.312 5.746 1 1 74 . 15 1 1 A 8 8 GLY H H 8 8.965 8.649 0.316 1 1 75 . 15 1 1 A 8 8 GLY HA2 H 8 4.244 3.883 0.361 1 1 76 . 15 1 1 A 8 8 GLY HA3 H 8 3.528 3.891 -0.363 1 1 77 . 15 1 1 A 8 8 GLY C C 8 173.822 174.305 -0.483 1 1 78 . 15 1 1 A 8 8 GLY CA C 8 45.360 46.093 -0.733 1 1 79 . 15 1 1 A 8 8 GLY N N 8 104.280 104.711 -0.431 1 1 80 . 15 1 1 A 9 9 GLY H H 9 7.942 7.922 0.020 1 1 81 . 15 1 1 A 9 9 GLY HA2 H 9 4.815 4.324 0.491 1 1 82 . 15 1 1 A 9 9 GLY HA3 H 9 3.715 4.342 -0.627 1 1 83 . 15 1 1 A 9 9 GLY C C 9 171.262 172.404 -1.142 1 1 84 . 15 1 1 A 9 9 GLY CA C 9 43.172 44.620 -1.448 1 1 85 . 15 1 1 A 9 9 GLY N N 9 109.823 107.754 2.069 1 1 86 . 15 1 1 A 10 10 PRO HA H 10 4.640 4.963 -0.323 1 1 93 . 15 1 1 A 10 10 PRO C C 10 177.097 176.372 0.725 1 1 94 . 15 1 1 A 10 10 PRO CA C 10 63.952 62.846 1.106 1 1 95 . 15 1 1 A 10 10 PRO CB C 10 32.509 32.524 -0.015 1 1 98 . 15 1 1 A 11 11 VAL H H 11 7.770 8.694 -0.924 1 1 99 . 15 1 1 A 11 11 VAL HA H 11 4.632 5.001 -0.369 1 1 107 . 15 1 1 A 11 11 VAL C C 11 174.462 174.212 0.250 1 1 108 . 15 1 1 A 11 11 VAL CA C 11 59.304 59.413 -0.109 1 1 109 . 15 1 1 A 11 11 VAL CB C 11 35.516 35.352 0.164 1 1 112 . 15 1 1 A 11 11 VAL N N 11 115.495 116.414 -0.919 1 1 113 . 15 1 1 A 12 12 THR H H 12 10.773 8.997 1.776 1 1 114 . 15 1 1 A 12 12 THR HA H 12 4.425 4.477 -0.052 1 1 119 . 15 1 1 A 12 12 THR C C 12 173.505 173.597 -0.092 1 1 120 . 15 1 1 A 12 12 THR CA C 12 62.312 62.001 0.311 1 1 121 . 15 1 1 A 12 12 THR CB C 12 69.694 69.781 -0.087 1 1 123 . 15 1 1 A 12 12 THR N N 12 121.940 121.119 0.821 1 1 124 . 15 1 1 A 13 13 LEU H H 13 8.524 8.444 0.080 1 1 125 . 15 1 1 A 13 13 LEU HA H 13 5.132 4.997 0.135 1 1 135 . 15 1 1 A 13 13 LEU C C 13 177.285 176.412 0.873 1 1 136 . 15 1 1 A 13 13 LEU CA C 13 53.289 53.320 -0.031 1 1 137 . 15 1 1 A 13 13 LEU CB C 13 42.352 44.701 -2.349 1 1 141 . 15 1 1 A 13 13 LEU N N 13 125.550 123.897 1.653 1 1 142 . 15 1 1 A 14 14 VAL H H 14 8.962 9.018 -0.056 1 1 143 . 15 1 1 A 14 14 VAL HA H 14 3.859 3.779 0.080 1 1 151 . 15 1 1 A 14 14 VAL C C 14 174.604 178.057 -3.453 1 1 152 . 15 1 1 A 14 14 VAL CA C 14 62.312 65.748 -3.436 1 1 153 . 15 1 1 A 14 14 VAL CB C 14 32.509 32.036 0.473 1 1 156 . 15 1 1 A 14 14 VAL N N 14 126.968 122.116 4.852 1 1 157 . 15 1 1 A 15 15 GLY H H 15 7.838 7.986 -0.148 1 1 158 . 15 1 1 A 15 15 GLY HA2 H 15 5.132 3.945 1.187 1 1 159 . 15 1 1 A 15 15 GLY HA3 H 15 3.730 3.956 -0.226 1 1 160 . 15 1 1 A 15 15 GLY C C 15 174.542 174.545 -0.003 1 1 161 . 15 1 1 A 15 15 GLY CA C 15 43.446 45.178 -1.732 1 1 162 . 15 1 1 A 15 15 GLY N N 15 110.596 108.079 2.517 1 1 163 . 15 1 1 A 16 16 GLN H H 16 8.247 7.777 0.470 1 1 164 . 15 1 1 A 16 16 GLN HA H 16 4.347 4.145 0.202 1 1 171 . 15 1 1 A 16 16 GLN C C 16 174.876 174.564 0.312 1 1 172 . 15 1 1 A 16 16 GLN CA C 16 54.656 58.204 -3.548 1 1 173 . 15 1 1 A 16 16 GLN CB C 16 30.321 27.694 2.627 1 1 175 . 15 1 1 A 16 16 GLN N N 16 120.522 116.900 3.622 1 1 177 . 15 1 1 A 17 17 GLU H H 17 8.149 8.357 -0.208 1 1 178 . 15 1 1 A 17 17 GLU HA H 17 3.938 4.003 -0.065 1 1 183 . 15 1 1 A 17 17 GLU C C 17 176.607 175.719 0.888 1 1 184 . 15 1 1 A 17 17 GLU CA C 17 57.117 56.638 0.479 1 1 185 . 15 1 1 A 17 17 GLU CB C 17 30.321 30.016 0.305 1 1 187 . 15 1 1 A 17 17 GLU N N 17 123.616 121.663 1.953 1 1 188 . 15 1 1 A 18 18 VAL H H 18 8.605 8.889 -0.284 1 1 189 . 15 1 1 A 18 18 VAL HA H 18 4.047 4.453 -0.406 1 1 197 . 15 1 1 A 18 18 VAL C C 18 174.386 175.402 -1.016 1 1 198 . 15 1 1 A 18 18 VAL CA C 18 61.765 61.135 0.630 1 1 199 . 15 1 1 A 18 18 VAL CB C 18 32.782 32.636 0.146 1 1 202 . 15 1 1 A 18 18 VAL N N 18 125.936 123.948 1.988 1 1 203 . 15 1 1 A 19 19 LYS H H 19 8.461 8.957 -0.496 1 1 204 . 15 1 1 A 19 19 LYS HA H 19 4.624 5.001 -0.377 1 1 213 . 15 1 1 A 19 19 LYS C C 19 176.457 175.364 1.093 1 1 214 . 15 1 1 A 19 19 LYS CA C 19 53.562 54.182 -0.620 1 1 215 . 15 1 1 A 19 19 LYS CB C 19 34.423 36.148 -1.725 1 1 219 . 15 1 1 A 19 19 LYS N N 19 123.874 121.082 2.792 1 1 220 . 15 1 1 A 20 20 VAL H H 20 8.349 8.616 -0.267 1 1 221 . 15 1 1 A 20 20 VAL HA H 20 3.421 3.537 -0.116 1 1 229 . 15 1 1 A 20 20 VAL C C 20 177.624 177.127 0.497 1 1 230 . 15 1 1 A 20 20 VAL CA C 20 65.593 66.093 -0.500 1 1 231 . 15 1 1 A 20 20 VAL CB C 20 31.415 31.516 -0.101 1 1 234 . 15 1 1 A 20 20 VAL N N 20 120.393 121.072 -0.679 1 1 235 . 15 1 1 A 21 21 GLY H H 21 9.338 9.387 -0.049 1 1 236 . 15 1 1 A 21 21 GLY HA2 H 21 4.566 4.046 0.520 1 1 237 . 15 1 1 A 21 21 GLY HA3 H 21 3.536 4.054 -0.518 1 1 238 . 15 1 1 A 21 21 GLY C C 21 174.160 174.435 -0.275 1 1 239 . 15 1 1 A 21 21 GLY CA C 21 44.539 45.367 -0.828 1 1 240 . 15 1 1 A 21 21 GLY N N 21 117.429 115.132 2.297 1 1 241 . 15 1 1 A 22 22 ASP H H 22 8.222 8.049 0.173 1 1 242 . 15 1 1 A 22 22 ASP HA H 22 4.650 4.625 0.025 1 1 245 . 15 1 1 A 22 22 ASP C C 22 176.231 175.750 0.481 1 1 246 . 15 1 1 A 22 22 ASP CA C 22 54.382 54.176 0.206 1 1 247 . 15 1 1 A 22 22 ASP CB C 22 40.985 41.375 -0.390 1 1 248 . 15 1 1 A 22 22 ASP N N 22 121.811 121.535 0.276 1 1 249 . 15 1 1 A 23 23 GLN H H 23 8.598 8.026 0.572 1 1 250 . 15 1 1 A 23 23 GLN HA H 23 4.224 4.343 -0.119 1 1 257 . 15 1 1 A 23 23 GLN C C 23 175.892 174.422 1.470 1 1 258 . 15 1 1 A 23 23 GLN CA C 23 55.203 58.230 -3.027 1 1 259 . 15 1 1 A 23 23 GLN CB C 23 28.954 27.814 1.140 1 1 261 . 15 1 1 A 23 23 GLN N N 23 119.491 117.095 2.396 1 1 263 . 15 1 1 A 24 24 ALA H H 24 8.664 8.497 0.167 1 1 264 . 15 1 1 A 24 24 ALA HA H 24 4.030 4.786 -0.756 1 1 268 . 15 1 1 A 24 24 ALA C C 24 174.386 175.078 -0.692 1 1 269 . 15 1 1 A 24 24 ALA CA C 24 51.101 49.600 1.501 1 1 270 . 15 1 1 A 24 24 ALA CB C 24 19.111 22.408 -3.297 1 1 271 . 15 1 1 A 24 24 ALA N N 24 129.804 122.422 7.382 1 1 272 . 15 1 1 A 25 25 PRO HA H 25 4.422 4.625 -0.203 1 1 279 . 15 1 1 A 25 25 PRO C C 25 173.596 176.149 -2.553 1 1 280 . 15 1 1 A 25 25 PRO CA C 25 61.765 62.565 -0.800 1 1 281 . 15 1 1 A 25 25 PRO CB C 25 32.509 32.480 0.029 1 1 284 . 15 1 1 A 26 26 ASP H H 26 7.546 8.593 -1.047 1 1 285 . 15 1 1 A 26 26 ASP HA H 26 4.411 4.375 0.036 1 1 288 . 15 1 1 A 26 26 ASP C C 26 175.591 174.976 0.615 1 1 289 . 15 1 1 A 26 26 ASP CA C 26 54.656 52.627 2.029 1 1 290 . 15 1 1 A 26 26 ASP CB C 26 42.625 39.015 3.610 1 1 291 . 15 1 1 A 26 26 ASP N N 26 114.979 121.328 -6.349 1 1 292 . 15 1 1 A 27 27 PHE H H 27 7.379 7.833 -0.454 1 1 293 . 15 1 1 A 27 27 PHE HA H 27 4.659 4.460 0.199 1 1 295 . 15 1 1 A 27 27 PHE C C 27 173.407 175.386 -1.979 1 1 296 . 15 1 1 A 27 27 PHE CA C 27 56.570 57.148 -0.578 1 1 297 . 15 1 1 A 27 27 PHE CB C 27 39.891 39.507 0.384 1 1 298 . 15 1 1 A 27 27 PHE N N 27 113.561 120.368 -6.807 1 1 299 . 15 1 1 A 28 28 THR H H 28 8.540 8.774 -0.234 1 1 300 . 15 1 1 A 28 28 THR HA H 28 4.936 4.982 -0.046 1 1 305 . 15 1 1 A 28 28 THR C C 28 173.443 174.427 -0.984 1 1 306 . 15 1 1 A 28 28 THR CA C 28 62.889 61.845 1.044 1 1 307 . 15 1 1 A 28 28 THR CB C 28 72.155 71.108 1.047 1 1 309 . 15 1 1 A 28 28 THR N N 28 114.593 116.583 -1.990 1 1 310 . 15 1 1 A 29 29 VAL H H 29 9.120 9.294 -0.174 1 1 311 . 15 1 1 A 29 29 VAL HA H 29 4.863 5.090 -0.227 1 1 319 . 15 1 1 A 29 29 VAL C C 29 173.558 174.871 -1.313 1 1 320 . 15 1 1 A 29 29 VAL CA C 29 59.527 59.285 0.242 1 1 321 . 15 1 1 A 29 29 VAL CB C 29 35.243 36.319 -1.076 1 1 324 . 15 1 1 A 29 29 VAL N N 29 119.233 117.323 1.910 1 1 325 . 15 1 1 A 30 30 LEU H H 30 8.565 8.872 -0.307 1 1 326 . 15 1 1 A 30 30 LEU HA H 30 5.615 5.208 0.407 1 1 336 . 15 1 1 A 30 30 LEU C C 30 180.310 176.997 3.313 1 1 337 . 15 1 1 A 30 30 LEU CA C 30 53.562 53.159 0.403 1 1 338 . 15 1 1 A 30 30 LEU CB C 30 47.547 45.542 2.005 1 1 342 . 15 1 1 A 30 30 LEU N N 30 117.429 121.835 -4.406 1 1 343 . 15 1 1 A 31 31 THR H H 31 9.587 8.736 0.851 1 1 344 . 15 1 1 A 31 31 THR HA H 31 4.741 4.567 0.174 1 1 349 . 15 1 1 A 31 31 THR C C 31 176.457 175.475 0.982 1 1 350 . 15 1 1 A 31 31 THR CA C 31 60.632 60.788 -0.156 1 1 351 . 15 1 1 A 31 31 THR CB C 31 71.451 71.208 0.243 1 1 353 . 15 1 1 A 31 31 THR N N 31 114.721 116.183 -1.462 1 1 354 . 15 1 1 A 32 32 ASN H H 32 9.812 9.286 0.526 1 1 355 . 15 1 1 A 32 32 ASN HA H 32 4.352 4.403 -0.051 1 1 358 . 15 1 1 A 32 32 ASN C C 32 175.252 176.888 -1.636 1 1 359 . 15 1 1 A 32 32 ASN CA C 32 55.476 56.126 -0.650 1 1 360 . 15 1 1 A 32 32 ASN CB C 32 38.524 38.065 0.459 1 1 361 . 15 1 1 A 32 32 ASN N N 32 118.460 120.725 -2.265 1 1 362 . 15 1 1 A 33 33 SER H H 33 7.782 7.759 0.023 1 1 363 . 15 1 1 A 33 33 SER HA H 33 4.562 4.534 0.028 1 1 366 . 15 1 1 A 33 33 SER C C 33 173.822 173.308 0.514 1 1 367 . 15 1 1 A 33 33 SER CA C 33 57.390 58.156 -0.766 1 1 368 . 15 1 1 A 33 33 SER CB C 33 62.859 63.260 -0.401 1 1 369 . 15 1 1 A 33 33 SER N N 33 110.725 111.927 -1.202 1 1 370 . 15 1 1 A 34 34 LEU H H 34 8.342 8.057 0.285 1 1 371 . 15 1 1 A 34 34 LEU HA H 34 3.686 3.809 -0.123 1 1 381 . 15 1 1 A 34 34 LEU C C 34 175.516 175.585 -0.069 1 1 382 . 15 1 1 A 34 34 LEU CA C 34 57.117 56.213 0.904 1 1 383 . 15 1 1 A 34 34 LEU CB C 34 37.430 39.984 -2.554 1 1 387 . 15 1 1 A 34 34 LEU N N 34 116.913 119.617 -2.704 1 1 388 . 15 1 1 A 35 35 GLU H H 35 7.538 8.054 -0.516 1 1 389 . 15 1 1 A 35 35 GLU HA H 35 4.546 4.588 -0.042 1 1 394 . 15 1 1 A 35 35 GLU C C 35 176.005 176.595 -0.590 1 1 395 . 15 1 1 A 35 35 GLU CA C 35 54.929 54.948 -0.019 1 1 396 . 15 1 1 A 35 35 GLU CB C 35 30.868 30.846 0.022 1 1 398 . 15 1 1 A 35 35 GLU N N 35 117.429 118.130 -0.701 1 1 399 . 15 1 1 A 36 36 GLU H H 36 8.681 8.730 -0.049 1 1 400 . 15 1 1 A 36 36 GLU HA H 36 4.740 4.469 0.271 1 1 405 . 15 1 1 A 36 36 GLU C C 36 176.833 176.010 0.823 1 1 406 . 15 1 1 A 36 36 GLU CA C 36 56.923 57.271 -0.348 1 1 407 . 15 1 1 A 36 36 GLU CB C 36 30.868 30.301 0.567 1 1 409 . 15 1 1 A 36 36 GLU N N 36 121.296 121.883 -0.587 1 1 410 . 15 1 1 A 37 37 LYS H H 37 9.122 8.276 0.846 1 1 411 . 15 1 1 A 37 37 LYS HA H 37 4.639 4.891 -0.252 1 1 420 . 15 1 1 A 37 37 LYS C C 37 173.671 173.921 -0.250 1 1 421 . 15 1 1 A 37 37 LYS CA C 37 55.476 55.466 0.010 1 1 422 . 15 1 1 A 37 37 LYS CB C 37 35.243 36.534 -1.291 1 1 426 . 15 1 1 A 37 37 LYS N N 37 125.292 122.905 2.387 1 1 427 . 15 1 1 A 38 38 SER H H 38 9.337 8.480 0.857 1 1 428 . 15 1 1 A 38 38 SER HA H 38 5.310 4.977 0.333 1 1 431 . 15 1 1 A 38 38 SER C C 38 175.102 174.339 0.763 1 1 432 . 15 1 1 A 38 38 SER CA C 38 56.296 57.099 -0.803 1 1 433 . 15 1 1 A 38 38 SER CB C 38 67.233 67.188 0.045 1 1 434 . 15 1 1 A 38 38 SER N N 38 121.811 117.992 3.819 1 1 435 . 15 1 1 A 39 39 LEU H H 39 7.023 8.148 -1.125 1 1 436 . 15 1 1 A 39 39 LEU HA H 39 3.872 3.651 0.221 1 1 446 . 15 1 1 A 39 39 LEU C C 39 179.845 178.223 1.622 1 1 447 . 15 1 1 A 39 39 LEU CA C 39 58.210 57.965 0.245 1 1 448 . 15 1 1 A 39 39 LEU CB C 39 40.711 40.768 -0.057 1 1 452 . 15 1 1 A 39 39 LEU N N 39 121.811 126.849 -5.038 1 1 453 . 15 1 1 A 40 40 ALA H H 40 8.447 8.187 0.260 1 1 454 . 15 1 1 A 40 40 ALA HA H 40 3.890 3.991 -0.101 1 1 458 . 15 1 1 A 40 40 ALA C C 40 179.995 179.853 0.142 1 1 459 . 15 1 1 A 40 40 ALA CA C 40 55.203 54.561 0.642 1 1 460 . 15 1 1 A 40 40 ALA CB C 40 18.291 18.150 0.141 1 1 461 . 15 1 1 A 40 40 ALA N N 40 119.362 119.304 0.058 1 1 462 . 15 1 1 A 41 41 ASP H H 41 7.517 8.078 -0.561 1 1 463 . 15 1 1 A 41 41 ASP HA H 41 4.469 4.328 0.141 1 1 466 . 15 1 1 A 41 41 ASP C C 41 176.720 178.577 -1.857 1 1 467 . 15 1 1 A 41 41 ASP CA C 41 56.296 56.801 -0.505 1 1 468 . 15 1 1 A 41 41 ASP CB C 41 42.079 40.538 1.541 1 1 469 . 15 1 1 A 41 41 ASP N N 41 114.850 118.809 -3.959 1 1 470 . 15 1 1 A 42 42 MET H H 42 7.989 8.138 -0.149 1 1 471 . 15 1 1 A 42 42 MET HA H 42 4.336 4.420 -0.084 1 1 479 . 15 1 1 A 42 42 MET C C 42 175.440 177.281 -1.841 1 1 480 . 15 1 1 A 42 42 MET CA C 42 56.843 58.491 -1.648 1 1 481 . 15 1 1 A 42 42 MET CB C 42 31.962 32.410 -0.448 1 1 484 . 15 1 1 A 42 42 MET N N 42 118.847 116.471 2.376 1 1 485 . 15 1 1 A 43 43 LYS H H 43 6.901 7.320 -0.419 1 1 486 . 15 1 1 A 43 43 LYS HA H 43 4.265 4.261 0.004 1 1 494 . 15 1 1 A 43 43 LYS C C 43 177.435 177.391 0.044 1 1 495 . 15 1 1 A 43 43 LYS CA C 43 57.664 58.451 -0.787 1 1 496 . 15 1 1 A 43 43 LYS CB C 43 33.329 32.645 0.684 1 1 500 . 15 1 1 A 43 43 LYS N N 43 116.913 119.751 -2.838 1 1 501 . 15 1 1 A 44 44 GLY H H 44 9.268 9.148 0.120 1 1 502 . 15 1 1 A 44 44 GLY HA2 H 44 3.692 3.951 -0.259 1 1 503 . 15 1 1 A 44 44 GLY HA3 H 44 4.596 3.954 0.642 1 1 504 . 15 1 1 A 44 44 GLY C C 44 173.671 173.403 0.268 1 1 505 . 15 1 1 A 44 44 GLY CA C 44 44.813 45.563 -0.750 1 1 506 . 15 1 1 A 44 44 GLY N N 44 111.112 111.674 -0.562 1 1 507 . 15 1 1 A 45 45 LYS H H 45 7.516 7.677 -0.161 1 1 508 . 15 1 1 A 45 45 LYS HA H 45 4.754 4.780 -0.026 1 1 515 . 15 1 1 A 45 45 LYS C C 45 175.214 174.586 0.628 1 1 516 . 15 1 1 A 45 45 LYS CA C 45 54.820 55.135 -0.315 1 1 517 . 15 1 1 A 45 45 LYS CB C 45 36.883 36.148 0.735 1 1 521 . 15 1 1 A 45 45 LYS N N 45 117.944 119.744 -1.800 1 1 522 . 15 1 1 A 46 46 VAL H H 46 8.887 8.629 0.258 1 1 523 . 15 1 1 A 46 46 VAL HA H 46 3.950 4.229 -0.279 1 1 531 . 15 1 1 A 46 46 VAL C C 46 174.876 175.262 -0.386 1 1 532 . 15 1 1 A 46 46 VAL CA C 46 64.773 63.340 1.433 1 1 533 . 15 1 1 A 46 46 VAL CB C 46 31.962 32.270 -0.308 1 1 536 . 15 1 1 A 46 46 VAL N N 46 124.776 125.144 -0.368 1 1 537 . 15 1 1 A 47 47 THR H H 47 8.956 8.884 0.072 1 1 538 . 15 1 1 A 47 47 THR HA H 47 5.300 5.167 0.133 1 1 543 . 15 1 1 A 47 47 THR C C 47 172.579 173.604 -1.025 1 1 544 . 15 1 1 A 47 47 THR CA C 47 62.312 61.491 0.821 1 1 545 . 15 1 1 A 47 47 THR CB C 47 73.249 72.050 1.199 1 1 547 . 15 1 1 A 47 47 THR N N 47 124.132 121.928 2.204 1 1 548 . 15 1 1 A 48 48 ILE H H 48 9.160 8.851 0.309 1 1 549 . 15 1 1 A 48 48 ILE HA H 48 4.740 4.969 -0.229 1 1 559 . 15 1 1 A 48 48 ILE C C 48 173.972 175.144 -1.172 1 1 560 . 15 1 1 A 48 48 ILE CA C 48 61.441 60.242 1.199 1 1 561 . 15 1 1 A 48 48 ILE CB C 48 40.438 41.579 -1.141 1 1 565 . 15 1 1 A 48 48 ILE N N 48 128.515 124.754 3.761 1 1 566 . 15 1 1 A 49 49 ILE H H 49 9.507 9.337 0.170 1 1 567 . 15 1 1 A 49 49 ILE HA H 49 4.883 5.201 -0.318 1 1 577 . 15 1 1 A 49 49 ILE C C 49 174.650 174.969 -0.319 1 1 578 . 15 1 1 A 49 49 ILE CA C 49 60.773 60.247 0.526 1 1 579 . 15 1 1 A 49 49 ILE CB C 49 41.532 42.189 -0.657 1 1 583 . 15 1 1 A 49 49 ILE N N 49 126.194 127.563 -1.369 1 1 584 . 15 1 1 A 50 50 SER H H 50 9.079 8.967 0.112 1 1 585 . 15 1 1 A 50 50 SER HA H 50 5.138 5.110 0.028 1 1 588 . 15 1 1 A 50 50 SER C C 50 172.692 173.051 -0.359 1 1 589 . 15 1 1 A 50 50 SER CA C 50 56.843 57.315 -0.472 1 1 590 . 15 1 1 A 50 50 SER CB C 50 64.773 65.500 -0.727 1 1 591 . 15 1 1 A 50 50 SER N N 50 121.940 125.096 -3.156 1 1 592 . 15 1 1 A 51 51 VAL H H 51 9.010 9.023 -0.013 1 1 593 . 15 1 1 A 51 51 VAL HA H 51 4.873 5.033 -0.160 1 1 601 . 15 1 1 A 51 51 VAL CA C 51 61.595 60.875 0.720 1 1 602 . 15 1 1 A 51 51 VAL CB C 51 32.509 34.144 -1.635 1 1 605 . 15 1 1 A 51 51 VAL N N 51 128.128 124.815 3.313 1 1 606 . 15 1 1 A 52 52 ILE H H 52 8.182 8.515 -0.333 1 1 607 . 15 1 1 A 52 52 ILE HA H 52 4.862 4.554 0.308 1 1 616 . 15 1 1 A 52 52 ILE CA C 52 58.026 57.562 0.464 1 1 617 . 15 1 1 A 52 52 ILE CB C 52 43.172 41.633 1.539 1 1 621 . 15 1 1 A 52 52 ILE N N 52 124.776 125.067 -0.291 1 1 622 . 15 1 1 A 53 53 PRO HA H 53 4.904 4.475 0.429 1 1 629 . 15 1 1 A 53 53 PRO CA C 53 65.560 64.732 0.828 1 1 630 . 15 1 1 A 53 53 PRO CB C 53 31.826 32.032 -0.206 1 1 633 . 15 1 1 A 54 54 SER H H 54 7.214 7.784 -0.570 1 1 634 . 15 1 1 A 54 54 SER HA H 54 5.100 4.719 0.381 1 1 637 . 15 1 1 A 54 54 SER CA C 54 57.417 56.926 0.491 1 1 638 . 15 1 1 A 54 54 SER CB C 54 65.195 65.482 -0.287 1 1 639 . 15 1 1 A 54 54 SER N N 54 107.901 112.189 -4.288 1 1 640 . 15 1 1 A 55 55 ILE H H 55 7.330 8.757 -1.427 1 1 641 . 15 1 1 A 55 55 ILE HA H 55 5.075 3.892 1.183 1 1 651 . 15 1 1 A 55 55 ILE CA C 55 61.734 63.813 -2.079 1 1 652 . 15 1 1 A 55 55 ILE CB C 55 36.233 37.691 -1.458 1 1 656 . 15 1 1 A 56 56 ASP H H 56 8.699 8.312 0.387 1 1 657 . 15 1 1 A 56 56 ASP HA H 56 5.075 4.683 0.392 1 1 660 . 15 1 1 A 56 56 ASP CA C 56 54.407 56.736 -2.329 1 1 661 . 15 1 1 A 56 56 ASP CB C 56 42.832 41.663 1.169 1 1 662 . 15 1 1 A 56 56 ASP N N 56 121.940 121.352 0.588 1 1 663 . 15 1 1 A 57 57 THR H H 57 7.294 7.619 -0.325 1 1 664 . 15 1 1 A 57 57 THR HA H 57 4.323 4.273 0.050 1 1 669 . 15 1 1 A 57 57 THR C C 57 175.440 176.021 -0.581 1 1 670 . 15 1 1 A 57 57 THR CA C 57 61.765 63.577 -1.812 1 1 671 . 15 1 1 A 57 57 THR CB C 57 69.421 70.539 -1.118 1 1 673 . 15 1 1 A 57 57 THR N N 57 108.921 110.234 -1.313 1 1 674 . 15 1 1 A 58 58 GLY H H 58 8.215 7.780 0.435 1 1 675 . 15 1 1 A 58 58 GLY HA2 H 58 4.012 3.940 0.072 1 1 676 . 15 1 1 A 58 58 GLY HA3 H 58 4.012 3.957 0.055 1 1 677 . 15 1 1 A 58 58 GLY C C 58 173.520 175.445 -1.925 1 1 678 . 15 1 1 A 58 58 GLY CA C 58 45.360 45.611 -0.251 1 1 679 . 15 1 1 A 58 58 GLY N N 58 110.969 110.209 0.760 1 1 680 . 15 1 1 A 59 59 VAL H H 59 7.976 7.763 0.213 1 1 681 . 15 1 1 A 59 59 VAL HA H 59 4.307 3.785 0.522 1 1 689 . 15 1 1 A 59 59 VAL C C 59 175.854 177.733 -1.879 1 1 690 . 15 1 1 A 59 59 VAL CA C 59 61.765 65.677 -3.912 1 1 691 . 15 1 1 A 59 59 VAL CB C 59 33.329 30.861 2.468 1 1 694 . 15 1 1 A 59 59 VAL N N 59 118.501 120.326 -1.825 1 1 696 . 15 1 1 A 61 61 ASP HA H 61 4.323 4.319 0.004 1 1 697 . 15 1 1 A 61 61 ASP CA C 61 54.382 56.876 -2.494 1 1 698 . 15 1 1 A 61 61 ASP CB C 61 39.142 40.969 -1.827 1 1 699 . 15 1 1 A 62 62 ALA H H 62 8.663 7.494 1.169 1 1 700 . 15 1 1 A 62 62 ALA HA H 62 3.971 3.916 0.055 1 1 704 . 15 1 1 A 62 62 ALA C C 62 180.485 177.844 2.641 1 1 705 . 15 1 1 A 62 62 ALA CA C 62 55.203 54.251 0.952 1 1 706 . 15 1 1 A 62 62 ALA CB C 62 18.838 18.547 0.291 1 1 707 . 15 1 1 A 63 63 GLN H H 63 8.550 8.002 0.548 1 1 708 . 15 1 1 A 63 63 GLN HA H 63 3.865 4.667 -0.802 1 1 715 . 15 1 1 A 63 63 GLN C C 63 178.527 177.742 0.785 1 1 716 . 15 1 1 A 63 63 GLN CA C 63 59.346 57.401 1.945 1 1 717 . 15 1 1 A 63 63 GLN CB C 63 28.635 31.475 -2.840 1 1 719 . 15 1 1 A 63 63 GLN N N 63 117.429 116.713 0.716 1 1 721 . 15 1 1 A 64 64 THR H H 64 8.121 7.852 0.269 1 1 722 . 15 1 1 A 64 64 THR HA H 64 3.624 3.796 -0.172 1 1 727 . 15 1 1 A 64 64 THR C C 64 178.527 176.376 2.151 1 1 728 . 15 1 1 A 64 64 THR CA C 64 66.686 67.286 -0.600 1 1 729 . 15 1 1 A 64 64 THR CB C 64 68.600 68.307 0.293 1 1 731 . 15 1 1 A 64 64 THR N N 64 118.460 116.388 2.072 1 1 732 . 15 1 1 A 65 65 ARG H H 65 7.530 8.390 -0.860 1 1 733 . 15 1 1 A 65 65 ARG HA H 65 3.904 3.935 -0.031 1 1 739 . 15 1 1 A 65 65 ARG CA C 65 59.507 59.845 -0.338 1 1 740 . 15 1 1 A 65 65 ARG CB C 65 29.637 29.839 -0.202 1 1 743 . 15 1 1 A 66 66 ARG H H 66 7.972 7.771 0.201 1 1 744 . 15 1 1 A 66 66 ARG HA H 66 4.056 3.834 0.222 1 1 751 . 15 1 1 A 66 66 ARG C C 66 177.624 178.257 -0.633 1 1 752 . 15 1 1 A 66 66 ARG CA C 66 59.031 59.338 -0.307 1 1 753 . 15 1 1 A 66 66 ARG CB C 66 29.228 29.478 -0.250 1 1 756 . 15 1 1 A 66 66 ARG N N 66 118.460 118.924 -0.464 1 1 757 . 15 1 1 A 67 67 PHE H H 67 7.673 8.248 -0.575 1 1 758 . 15 1 1 A 67 67 PHE HA H 67 4.260 4.001 0.259 1 1 763 . 15 1 1 A 67 67 PHE C C 67 176.043 177.852 -1.809 1 1 764 . 15 1 1 A 67 67 PHE CA C 67 60.945 61.246 -0.301 1 1 765 . 15 1 1 A 67 67 PHE CB C 67 39.071 39.060 0.011 1 1 766 . 15 1 1 A 67 67 PHE N N 67 119.362 120.445 -1.083 1 1 767 . 15 1 1 A 68 68 ASN H H 68 7.688 9.086 -1.398 1 1 768 . 15 1 1 A 68 68 ASN HA H 68 4.150 4.237 -0.087 1 1 771 . 15 1 1 A 68 68 ASN C C 68 177.172 177.534 -0.362 1 1 772 . 15 1 1 A 68 68 ASN CA C 68 55.750 55.750 0.000 1 1 773 . 15 1 1 A 68 68 ASN CB C 68 37.977 37.386 0.591 1 1 774 . 15 1 1 A 68 68 ASN N N 68 117.042 117.279 -0.237 1 1 775 . 15 1 1 A 69 69 GLU H H 69 8.185 8.393 -0.208 1 1 776 . 15 1 1 A 69 69 GLU HA H 69 3.848 4.000 -0.152 1 1 781 . 15 1 1 A 69 69 GLU C C 69 179.468 179.035 0.433 1 1 782 . 15 1 1 A 69 69 GLU CA C 69 59.577 59.519 0.058 1 1 783 . 15 1 1 A 69 69 GLU CB C 69 30.321 28.946 1.375 1 1 785 . 15 1 1 A 69 69 GLU N N 69 118.975 120.128 -1.153 1 1 786 . 15 1 1 A 70 70 GLU H H 70 8.671 8.367 0.304 1 1 787 . 15 1 1 A 70 70 GLU HA H 70 3.807 3.962 -0.155 1 1 792 . 15 1 1 A 70 70 GLU C C 70 179.468 178.989 0.479 1 1 793 . 15 1 1 A 70 70 GLU CA C 70 58.757 59.268 -0.511 1 1 794 . 15 1 1 A 70 70 GLU CB C 70 29.501 29.382 0.119 1 1 796 . 15 1 1 A 70 70 GLU N N 70 118.975 117.974 1.001 1 1 797 . 15 1 1 A 71 71 ALA H H 71 8.418 8.026 0.392 1 1 798 . 15 1 1 A 71 71 ALA HA H 71 3.616 3.943 -0.327 1 1 802 . 15 1 1 A 71 71 ALA C C 71 178.226 179.675 -1.449 1 1 803 . 15 1 1 A 71 71 ALA CA C 71 54.656 54.998 -0.342 1 1 804 . 15 1 1 A 71 71 ALA CB C 71 18.017 17.870 0.147 1 1 805 . 15 1 1 A 71 71 ALA N N 71 122.069 123.184 -1.115 1 1 806 . 15 1 1 A 72 72 ALA H H 72 7.520 8.053 -0.533 1 1 807 . 15 1 1 A 72 72 ALA HA H 72 3.842 3.924 -0.082 1 1 811 . 15 1 1 A 72 72 ALA C C 72 179.280 179.116 0.164 1 1 812 . 15 1 1 A 72 72 ALA CA C 72 54.109 55.065 -0.956 1 1 813 . 15 1 1 A 72 72 ALA CB C 72 18.564 18.364 0.200 1 1 814 . 15 1 1 A 72 72 ALA N N 72 116.139 119.717 -3.578 1 1 815 . 15 1 1 A 73 73 LYS H H 73 7.302 7.641 -0.339 1 1 816 . 15 1 1 A 73 73 LYS HA H 73 4.129 4.102 0.027 1 1 825 . 15 1 1 A 73 73 LYS C C 73 177.661 179.250 -1.589 1 1 826 . 15 1 1 A 73 73 LYS CA C 73 57.116 58.319 -1.203 1 1 827 . 15 1 1 A 73 73 LYS CB C 73 32.782 31.996 0.786 1 1 831 . 15 1 1 A 73 73 LYS N N 73 114.850 116.935 -2.085 1 1 832 . 15 1 1 A 74 74 LEU H H 74 7.398 7.421 -0.023 1 1 833 . 15 1 1 A 74 74 LEU HA H 74 3.983 4.000 -0.017 1 1 843 . 15 1 1 A 74 74 LEU C C 74 177.021 176.850 0.171 1 1 844 . 15 1 1 A 74 74 LEU CA C 74 56.843 56.866 -0.023 1 1 845 . 15 1 1 A 74 74 LEU CB C 74 42.625 42.755 -0.130 1 1 849 . 15 1 1 A 74 74 LEU N N 74 118.460 119.158 -0.698 1 1 850 . 15 1 1 A 75 75 GLY H H 75 7.174 7.227 -0.053 1 1 851 . 15 1 1 A 75 75 GLY HA2 H 75 4.215 4.052 0.163 1 1 852 . 15 1 1 A 75 75 GLY HA3 H 75 3.630 4.053 -0.423 1 1 853 . 15 1 1 A 75 75 GLY C C 75 172.805 173.298 -0.493 1 1 854 . 15 1 1 A 75 75 GLY CA C 75 45.360 45.594 -0.234 1 1 855 . 15 1 1 A 75 75 GLY N N 75 102.991 104.049 -1.058 1 1 856 . 15 1 1 A 76 76 ASP H H 76 8.825 8.579 0.246 1 1 857 . 15 1 1 A 76 76 ASP HA H 76 4.766 4.710 0.056 1 1 860 . 15 1 1 A 76 76 ASP C C 76 173.749 175.467 -1.718 1 1 861 . 15 1 1 A 76 76 ASP CA C 76 53.708 53.711 -0.003 1 1 862 . 15 1 1 A 76 76 ASP CB C 76 39.071 40.322 -1.251 1 1 863 . 15 1 1 A 76 76 ASP N N 76 126.839 120.724 6.115 1 1 864 . 15 1 1 A 77 77 VAL H H 77 7.511 7.448 0.063 1 1 865 . 15 1 1 A 77 77 VAL HA H 77 4.772 4.159 0.613 1 1 873 . 15 1 1 A 77 77 VAL C C 77 175.629 175.717 -0.088 1 1 874 . 15 1 1 A 77 77 VAL CA C 77 58.959 61.861 -2.902 1 1 875 . 15 1 1 A 77 77 VAL CB C 77 34.970 32.553 2.417 1 1 878 . 15 1 1 A 77 77 VAL N N 77 115.615 117.707 -2.092 1 1 879 . 15 1 1 A 78 78 ASN H H 78 8.822 8.797 0.025 1 1 880 . 15 1 1 A 78 78 ASN HA H 78 4.820 4.948 -0.128 1 1 885 . 15 1 1 A 78 78 ASN C C 78 174.047 174.961 -0.914 1 1 886 . 15 1 1 A 78 78 ASN CA C 78 52.085 53.447 -1.362 1 1 887 . 15 1 1 A 78 78 ASN CB C 78 40.438 39.686 0.752 1 1 888 . 15 1 1 A 78 78 ASN N N 78 120.393 121.319 -0.926 1 1 890 . 15 1 1 A 79 79 VAL H H 79 8.044 8.419 -0.375 1 1 891 . 15 1 1 A 79 79 VAL HA H 79 4.669 5.010 -0.341 1 1 899 . 15 1 1 A 79 79 VAL C C 79 174.123 173.483 0.640 1 1 900 . 15 1 1 A 79 79 VAL CA C 79 61.491 59.736 1.755 1 1 901 . 15 1 1 A 79 79 VAL CB C 79 33.329 34.861 -1.532 1 1 904 . 15 1 1 A 79 79 VAL N N 79 122.456 116.679 5.777 1 1 905 . 15 1 1 A 80 80 TYR H H 80 8.944 8.904 0.040 1 1 906 . 15 1 1 A 80 80 TYR HA H 80 6.170 5.356 0.814 1 1 911 . 15 1 1 A 80 80 TYR C C 80 177.210 175.295 1.915 1 1 912 . 15 1 1 A 80 80 TYR CA C 80 54.929 56.197 -1.268 1 1 913 . 15 1 1 A 80 80 TYR CB C 80 42.899 42.852 0.047 1 1 914 . 15 1 1 A 80 80 TYR N N 80 123.229 123.933 -0.704 1 1 915 . 15 1 1 A 81 81 THR H H 81 8.465 9.013 -0.548 1 1 916 . 15 1 1 A 81 81 THR HA H 81 5.652 5.090 0.562 1 1 921 . 15 1 1 A 81 81 THR C C 81 172.880 173.635 -0.755 1 1 922 . 15 1 1 A 81 81 THR CA C 81 62.038 61.374 0.664 1 1 923 . 15 1 1 A 81 81 THR CB C 81 71.608 70.509 1.099 1 1 925 . 15 1 1 A 81 81 THR N N 81 119.491 116.333 3.158 1 1 926 . 15 1 1 A 82 82 ILE H H 82 8.958 9.188 -0.230 1 1 927 . 15 1 1 A 82 82 ILE HA H 82 5.145 4.528 0.617 1 1 937 . 15 1 1 A 82 82 ILE C C 82 174.123 175.691 -1.568 1 1 938 . 15 1 1 A 82 82 ILE CA C 82 59.847 61.309 -1.462 1 1 939 . 15 1 1 A 82 82 ILE CB C 82 39.618 37.909 1.709 1 1 943 . 15 1 1 A 82 82 ILE N N 82 125.550 128.330 -2.780 1 1 944 . 15 1 1 A 83 83 SER H H 83 7.731 8.842 -1.111 1 1 945 . 15 1 1 A 83 83 SER HA H 83 4.909 5.136 -0.227 1 1 948 . 15 1 1 A 83 83 SER C C 83 173.182 173.095 0.087 1 1 949 . 15 1 1 A 83 83 SER CA C 83 57.034 57.856 -0.822 1 1 950 . 15 1 1 A 83 83 SER CB C 83 68.054 67.382 0.672 1 1 951 . 15 1 1 A 83 83 SER N N 83 117.171 122.898 -5.727 1 1 952 . 15 1 1 A 84 84 ALA H H 84 9.548 8.801 0.747 1 1 953 . 15 1 1 A 84 84 ALA HA H 84 4.177 4.506 -0.329 1 1 957 . 15 1 1 A 84 84 ALA C C 84 175.290 177.885 -2.595 1 1 958 . 15 1 1 A 84 84 ALA CA C 84 51.922 51.913 0.009 1 1 959 . 15 1 1 A 84 84 ALA CB C 84 19.111 19.996 -0.885 1 1 960 . 15 1 1 A 84 84 ALA N N 84 120.651 125.221 -4.570 1 1 961 . 15 1 1 A 85 85 ASP H H 85 7.739 8.650 -0.911 1 1 962 . 15 1 1 A 85 85 ASP HA H 85 4.380 4.639 -0.259 1 1 965 . 15 1 1 A 85 85 ASP C C 85 175.591 175.955 -0.364 1 1 966 . 15 1 1 A 85 85 ASP CA C 85 55.136 54.800 0.336 1 1 967 . 15 1 1 A 85 85 ASP CB C 85 43.011 41.108 1.903 1 1 968 . 15 1 1 A 85 85 ASP N N 85 114.721 119.587 -4.866 1 1 969 . 15 1 1 A 86 86 LEU H H 86 8.475 7.186 1.289 1 1 970 . 15 1 1 A 86 86 LEU HA H 86 3.956 4.160 -0.204 1 1 980 . 15 1 1 A 86 86 LEU CA C 86 54.656 53.166 1.490 1 1 981 . 15 1 1 A 86 86 LEU CB C 86 39.380 43.209 -3.829 1 1 985 . 15 1 1 A 87 87 PRO HA H 87 4.225 4.126 0.099 1 1 992 . 15 1 1 A 87 87 PRO CA C 87 65.046 64.989 0.057 1 1 993 . 15 1 1 A 87 87 PRO CB C 87 32.264 31.523 0.741 1 1 996 . 15 1 1 A 88 88 PHE H H 88 5.565 7.362 -1.797 1 1 997 . 15 1 1 A 88 88 PHE HA H 88 4.340 4.257 0.083 1 1 1000 . 15 1 1 A 88 88 PHE CA C 88 57.664 60.012 -2.348 1 1 1001 . 15 1 1 A 88 88 PHE CB C 88 39.344 39.020 0.324 1 1 1002 . 15 1 1 A 88 88 PHE N N 88 110.725 116.090 -5.365 1 1 1003 . 15 1 1 A 89 89 ALA H H 89 7.381 7.590 -0.209 1 1 1004 . 15 1 1 A 89 89 ALA HA H 89 4.239 4.280 -0.041 1 1 1008 . 15 1 1 A 89 89 ALA CA C 89 52.009 52.007 0.002 1 1 1009 . 15 1 1 A 89 89 ALA CB C 89 19.761 19.958 -0.197 1 1 1010 . 15 1 1 A 89 89 ALA N N 89 114.850 122.192 -7.342 1 1 1011 . 15 1 1 A 90 90 GLN H H 90 7.231 8.809 -1.578 1 1 1012 . 15 1 1 A 90 90 GLN HA H 90 3.695 3.963 -0.268 1 1 1018 . 15 1 1 A 90 90 GLN CA C 90 59.578 56.615 2.963 1 1 1019 . 15 1 1 A 90 90 GLN CB C 90 28.728 26.419 2.309 1 1 1022 . 15 1 1 A 91 91 ALA H H 91 7.741 7.787 -0.046 1 1 1023 . 15 1 1 A 91 91 ALA HA H 91 4.202 4.037 0.165 1 1 1027 . 15 1 1 A 91 91 ALA CA C 91 54.382 51.766 2.616 1 1 1028 . 15 1 1 A 91 91 ALA CB C 91 18.837 18.125 0.712 1 1 1029 . 15 1 1 A 91 91 ALA N N 91 118.589 121.924 -3.335 1 1 1030 . 15 1 1 A 92 92 ARG H H 92 7.354 7.698 -0.344 1 1 1031 . 15 1 1 A 92 92 ARG HA H 92 4.588 3.985 0.603 1 1 1038 . 15 1 1 A 92 92 ARG CA C 92 55.476 56.926 -1.450 1 1 1039 . 15 1 1 A 92 92 ARG CB C 92 30.048 26.854 3.194 1 1 1042 . 15 1 1 A 93 93 TRP H H 93 7.767 7.834 -0.067 1 1 1043 . 15 1 1 A 93 93 TRP HA H 93 4.881 4.350 0.531 1 1 1050 . 15 1 1 A 93 93 TRP CA C 93 57.534 59.517 -1.983 1 1 1051 . 15 1 1 A 93 93 TRP CB C 93 29.501 28.865 0.636 1 1 1052 . 15 1 1 A 93 93 TRP N N 93 121.927 118.300 3.627 1 1 1054 . 15 1 1 A 94 94 CYS HA H 94 3.901 4.869 -0.968 1 1 1057 . 15 1 1 A 94 94 CYS CA C 94 59.577 55.312 4.265 1 1 1058 . 15 1 1 A 94 94 CYS CB C 94 43.446 45.283 -1.837 1 1 1059 . 15 1 1 A 95 95 GLY HA2 H 95 5.122 3.904 1.218 1 1 1060 . 15 1 1 A 95 95 GLY HA3 H 95 3.691 3.913 -0.222 1 1 1061 . 15 1 1 A 95 95 GLY CA C 95 45.511 47.268 -1.757 1 1 1062 . 15 1 1 A 96 96 ALA H H 96 7.504 8.297 -0.793 1 1 1063 . 15 1 1 A 96 96 ALA HA H 96 4.412 4.384 0.028 1 1 1067 . 15 1 1 A 96 96 ALA CA C 96 51.699 51.976 -0.277 1 1 1068 . 15 1 1 A 96 96 ALA CB C 96 21.025 18.938 2.087 1 1 1069 . 15 1 1 A 96 96 ALA N N 96 121.579 128.574 -6.995 1 1 1070 . 15 1 1 A 97 97 ASN H H 97 7.345 8.187 -0.842 1 1 1071 . 15 1 1 A 97 97 ASN HA H 97 4.551 4.996 -0.445 1 1 1076 . 15 1 1 A 97 97 ASN CA C 97 54.929 52.375 2.554 1 1 1077 . 15 1 1 A 97 97 ASN CB C 97 39.071 41.802 -2.731 1 1 1079 . 15 1 1 A 98 98 GLY H H 98 8.890 8.686 0.204 1 1 1080 . 15 1 1 A 98 98 GLY HA2 H 98 3.796 3.941 -0.145 1 1 1081 . 15 1 1 A 98 98 GLY HA3 H 98 4.070 3.943 0.127 1 1 1082 . 15 1 1 A 98 98 GLY C C 98 174.160 173.495 0.665 1 1 1083 . 15 1 1 A 98 98 GLY CA C 98 45.841 45.230 0.611 1 1 1084 . 15 1 1 A 99 99 ILE H H 99 7.739 7.497 0.242 1 1 1085 . 15 1 1 A 99 99 ILE HA H 99 4.198 4.608 -0.410 1 1 1095 . 15 1 1 A 99 99 ILE C C 99 175.561 175.397 0.164 1 1 1096 . 15 1 1 A 99 99 ILE CA C 99 60.671 59.271 1.400 1 1 1097 . 15 1 1 A 99 99 ILE CB C 99 38.524 38.850 -0.326 1 1 1101 . 15 1 1 A 99 99 ILE N N 99 120.780 114.941 5.839 1 1 1102 . 15 1 1 A 100 100 ASP H H 100 8.372 8.745 -0.373 1 1 1103 . 15 1 1 A 100 100 ASP HA H 100 4.426 4.202 0.224 1 1 1106 . 15 1 1 A 100 100 ASP C C 100 176.325 177.320 -0.995 1 1 1107 . 15 1 1 A 100 100 ASP CA C 100 56.023 57.274 -1.251 1 1 1108 . 15 1 1 A 100 100 ASP CB C 100 40.985 40.316 0.669 1 1 1109 . 15 1 1 A 100 100 ASP N N 100 126.194 125.922 0.272 1 1 1110 . 15 1 1 A 101 101 LYS H H 101 8.081 8.045 0.036 1 1 1111 . 15 1 1 A 101 101 LYS HA H 101 4.052 4.012 0.040 1 1 1120 . 15 1 1 A 101 101 LYS C C 101 175.874 177.294 -1.420 1 1 1121 . 15 1 1 A 101 101 LYS CA C 101 58.210 58.594 -0.384 1 1 1122 . 15 1 1 A 101 101 LYS CB C 101 31.689 32.195 -0.506 1 1 1126 . 15 1 1 A 101 101 LYS N N 101 115.366 117.540 -2.174 1 1 1127 . 15 1 1 A 102 102 VAL H H 102 7.631 7.431 0.200 1 1 1128 . 15 1 1 A 102 102 VAL HA H 102 4.419 4.034 0.385 1 1 1136 . 15 1 1 A 102 102 VAL C C 102 175.145 175.438 -0.293 1 1 1137 . 15 1 1 A 102 102 VAL CA C 102 61.919 63.375 -1.456 1 1 1138 . 15 1 1 A 102 102 VAL CB C 102 32.782 32.083 0.699 1 1 1141 . 15 1 1 A 102 102 VAL N N 102 119.362 120.301 -0.939 1 1 1142 . 15 1 1 A 103 103 GLU H H 103 8.489 8.586 -0.097 1 1 1143 . 15 1 1 A 103 103 GLU HA H 103 4.931 5.070 -0.139 1 1 1148 . 15 1 1 A 103 103 GLU C C 103 175.943 176.070 -0.127 1 1 1149 . 15 1 1 A 103 103 GLU CA C 103 55.140 54.670 0.470 1 1 1150 . 15 1 1 A 103 103 GLU CB C 103 33.329 33.622 -0.293 1 1 1152 . 15 1 1 A 103 103 GLU N N 103 126.581 126.263 0.318 1 1 1153 . 15 1 1 A 104 104 THR H H 104 8.690 8.608 0.082 1 1 1154 . 15 1 1 A 104 104 THR HA H 104 5.292 5.085 0.207 1 1 1159 . 15 1 1 A 104 104 THR C C 104 173.165 174.135 -0.970 1 1 1160 . 15 1 1 A 104 104 THR CA C 104 58.757 60.976 -2.219 1 1 1161 . 15 1 1 A 104 104 THR CB C 104 69.967 70.166 -0.199 1 1 1163 . 15 1 1 A 104 104 THR N N 104 114.979 116.410 -1.431 1 1 1164 . 15 1 1 A 105 105 LEU H H 105 8.635 9.052 -0.417 1 1 1165 . 15 1 1 A 105 105 LEU HA H 105 4.979 5.319 -0.340 1 1 1175 . 15 1 1 A 105 105 LEU C C 105 176.985 176.249 0.736 1 1 1176 . 15 1 1 A 105 105 LEU CA C 105 52.849 53.592 -0.743 1 1 1177 . 15 1 1 A 105 105 LEU CB C 105 45.633 45.040 0.593 1 1 1181 . 15 1 1 A 105 105 LEU N N 105 119.233 125.774 -6.541 1 1 1182 . 15 1 1 A 106 106 SER H H 106 9.670 9.117 0.553 1 1 1183 . 15 1 1 A 106 106 SER HA H 106 5.485 5.026 0.459 1 1 1186 . 15 1 1 A 106 106 SER C C 106 176.256 174.692 1.564 1 1 1187 . 15 1 1 A 106 106 SER CA C 106 56.570 56.878 -0.308 1 1 1188 . 15 1 1 A 106 106 SER CB C 106 65.593 63.759 1.834 1 1 1189 . 15 1 1 A 106 106 SER N N 106 114.979 120.064 -5.085 1 1 1190 . 15 1 1 A 107 107 ASP H H 107 8.764 7.892 0.872 1 1 1191 . 15 1 1 A 107 107 ASP HA H 107 5.517 4.137 1.380 1 1 1194 . 15 1 1 A 107 107 ASP CA C 107 52.753 57.152 -4.399 1 1 1195 . 15 1 1 A 107 107 ASP CB C 107 45.086 41.272 3.814 1 1 1196 . 15 1 1 A 107 107 ASP N N 107 132.898 122.973 9.925 1 1 1197 . 15 1 1 A 108 108 HIS H H 108 7.940 8.300 -0.360 1 1 1198 . 15 1 1 A 108 108 HIS HA H 108 4.075 4.041 0.034 1 1 1200 . 15 1 1 A 108 108 HIS CA C 108 59.577 59.785 -0.208 1 1 1201 . 15 1 1 A 108 108 HIS CB C 108 29.861 30.000 -0.139 1 1 1202 . 15 1 1 A 108 108 HIS N N 108 116.397 119.335 -2.938 1 1 1203 . 15 1 1 A 109 109 ARG HA H 109 4.214 3.995 0.219 1 1 1206 . 15 1 1 A 109 109 ARG CA C 109 59.031 58.145 0.886 1 1 1207 . 15 1 1 A 109 109 ARG CB C 109 27.861 30.207 -2.346 1 1 1208 . 15 1 1 A 110 110 ASP HA H 110 4.867 4.855 0.012 1 1 1211 . 15 1 1 A 110 110 ASP C C 110 175.735 176.070 -0.335 1 1 1212 . 15 1 1 A 110 110 ASP CA C 110 53.708 55.399 -1.691 1 1 1213 . 15 1 1 A 110 110 ASP CB C 110 43.875 43.847 0.028 1 1 1214 . 15 1 1 A 111 111 MET H H 111 7.899 8.511 -0.612 1 1 1215 . 15 1 1 A 111 111 MET HA H 111 4.503 4.269 0.234 1 1 1221 . 15 1 1 A 111 111 MET C C 111 177.332 175.816 1.516 1 1 1222 . 15 1 1 A 111 111 MET CA C 111 56.570 57.299 -0.729 1 1 1223 . 15 1 1 A 111 111 MET CB C 111 30.868 30.538 0.330 1 1 1226 . 15 1 1 A 111 111 MET N N 111 116.397 117.688 -1.291 1 1 1227 . 15 1 1 A 112 112 SER H H 112 7.931 8.124 -0.193 1 1 1228 . 15 1 1 A 112 112 SER HA H 112 4.248 4.116 0.132 1 1 1231 . 15 1 1 A 112 112 SER C C 112 179.173 176.102 3.071 1 1 1232 . 15 1 1 A 112 112 SER CA C 112 60.945 62.446 -1.501 1 1 1233 . 15 1 1 A 112 112 SER CB C 112 64.499 63.324 1.175 1 1 1234 . 15 1 1 A 112 112 SER N N 112 113.561 115.750 -2.189 1 1 1235 . 15 1 1 A 113 113 PHE H H 113 10.125 8.078 2.047 1 1 1236 . 15 1 1 A 113 113 PHE HA H 113 3.593 3.900 -0.307 1 1 1241 . 15 1 1 A 113 113 PHE C C 113 177.437 177.954 -0.517 1 1 1242 . 15 1 1 A 113 113 PHE CA C 113 62.312 61.125 1.187 1 1 1243 . 15 1 1 A 113 113 PHE CB C 113 37.704 38.448 -0.744 1 1 1244 . 15 1 1 A 113 113 PHE N N 113 125.550 122.630 2.920 1 1 1245 . 15 1 1 A 114 114 GLY H H 114 10.707 8.772 1.935 1 1 1246 . 15 1 1 A 114 114 GLY HA2 H 114 3.396 3.620 -0.224 1 1 1247 . 15 1 1 A 114 114 GLY HA3 H 114 3.218 3.708 -0.490 1 1 1248 . 15 1 1 A 114 114 GLY C C 114 175.735 175.535 0.200 1 1 1249 . 15 1 1 A 114 114 GLY CA C 114 48.641 47.267 1.374 1 1 1250 . 15 1 1 A 114 114 GLY N N 114 109.178 104.986 4.192 1 1 1251 . 15 1 1 A 115 115 GLU H H 115 8.251 8.148 0.103 1 1 1252 . 15 1 1 A 115 115 GLU HA H 115 4.431 4.165 0.266 1 1 1257 . 15 1 1 A 115 115 GLU C C 115 178.756 178.484 0.272 1 1 1258 . 15 1 1 A 115 115 GLU CA C 115 59.031 58.975 0.056 1 1 1259 . 15 1 1 A 115 115 GLU CB C 115 29.775 29.526 0.249 1 1 1261 . 15 1 1 A 115 115 GLU N N 115 120.522 121.354 -0.832 1 1 1262 . 15 1 1 A 116 116 ALA H H 116 7.895 8.395 -0.500 1 1 1263 . 15 1 1 A 116 116 ALA HA H 116 4.111 4.116 -0.005 1 1 1267 . 15 1 1 A 116 116 ALA C C 116 177.610 178.964 -1.354 1 1 1268 . 15 1 1 A 116 116 ALA CA C 116 55.476 54.906 0.570 1 1 1269 . 15 1 1 A 116 116 ALA CB C 116 18.838 18.359 0.479 1 1 1270 . 15 1 1 A 116 116 ALA N N 116 123.100 122.369 0.731 1 1 1271 . 15 1 1 A 117 117 PHE H H 117 8.161 7.740 0.421 1 1 1272 . 15 1 1 A 117 117 PHE HA H 117 4.262 4.399 -0.137 1 1 1277 . 15 1 1 A 117 117 PHE C C 117 175.353 175.541 -0.188 1 1 1278 . 15 1 1 A 117 117 PHE CA C 117 56.843 57.300 -0.457 1 1 1279 . 15 1 1 A 117 117 PHE CB C 117 38.251 38.539 -0.288 1 1 1280 . 15 1 1 A 117 117 PHE N N 117 113.432 112.725 0.707 1 1 1281 . 15 1 1 A 118 118 GLY H H 118 7.685 7.720 -0.035 1 1 1282 . 15 1 1 A 118 118 GLY HA2 H 118 3.544 3.988 -0.444 1 1 1283 . 15 1 1 A 118 118 GLY HA3 H 118 4.362 3.999 0.363 1 1 1284 . 15 1 1 A 118 118 GLY C C 118 174.901 175.540 -0.639 1 1 1285 . 15 1 1 A 118 118 GLY CA C 118 47.274 46.923 0.351 1 1 1286 . 15 1 1 A 118 118 GLY N N 118 112.143 108.364 3.779 1 1 1287 . 15 1 1 A 119 119 VAL H H 119 8.380 7.991 0.389 1 1 1288 . 15 1 1 A 119 119 VAL HA H 119 4.788 4.409 0.379 1 1 1296 . 15 1 1 A 119 119 VAL C C 119 174.901 175.979 -1.078 1 1 1297 . 15 1 1 A 119 119 VAL CA C 119 59.532 63.155 -3.623 1 1 1298 . 15 1 1 A 119 119 VAL CB C 119 32.509 32.698 -0.189 1 1 1301 . 15 1 1 A 119 119 VAL N N 119 102.475 117.854 -15.379 1 1 1302 . 15 1 1 A 120 120 TYR H H 120 6.841 7.819 -0.978 1 1 1303 . 15 1 1 A 120 120 TYR HA H 120 4.484 4.631 -0.147 1 1 1308 . 15 1 1 A 120 120 TYR C C 120 173.443 175.304 -1.861 1 1 1309 . 15 1 1 A 120 120 TYR CA C 120 54.929 57.347 -2.418 1 1 1310 . 15 1 1 A 120 120 TYR CB C 120 37.704 38.574 -0.870 1 1 1311 . 15 1 1 A 120 120 TYR N N 120 124.518 124.678 -0.160 1 1 1312 . 15 1 1 A 121 121 ILE H H 121 9.244 9.038 0.206 1 1 1313 . 15 1 1 A 121 121 ILE HA H 121 4.419 3.988 0.431 1 1 1323 . 15 1 1 A 121 121 ILE C C 121 176.221 176.363 -0.142 1 1 1324 . 15 1 1 A 121 121 ILE CA C 121 62.014 62.215 -0.201 1 1 1325 . 15 1 1 A 121 121 ILE CB C 121 37.704 37.622 0.082 1 1 1329 . 15 1 1 A 121 121 ILE N N 121 128.772 128.246 0.526 1 1 1330 . 15 1 1 A 122 122 LYS H H 122 9.328 8.976 0.352 1 1 1331 . 15 1 1 A 122 122 LYS HA H 122 3.588 3.694 -0.106 1 1 1340 . 15 1 1 A 122 122 LYS C C 122 179.069 177.902 1.167 1 1 1341 . 15 1 1 A 122 122 LYS CA C 122 60.124 59.684 0.440 1 1 1342 . 15 1 1 A 122 122 LYS CB C 122 33.329 32.188 1.141 1 1 1346 . 15 1 1 A 122 122 LYS N N 122 134.955 127.834 7.121 1 1 1347 . 15 1 1 A 123 123 GLU H H 123 10.228 8.060 2.168 1 1 1348 . 15 1 1 A 123 123 GLU HA H 123 3.919 4.215 -0.296 1 1 1353 . 15 1 1 A 123 123 GLU C C 123 176.638 176.629 0.009 1 1 1354 . 15 1 1 A 123 123 GLU CA C 123 61.218 57.136 4.082 1 1 1355 . 15 1 1 A 123 123 GLU CB C 123 29.228 29.716 -0.488 1 1 1357 . 15 1 1 A 123 123 GLU N N 123 115.624 117.203 -1.579 1 1 1358 . 15 1 1 A 124 124 LEU H H 124 6.480 7.566 -1.086 1 1 1359 . 15 1 1 A 124 124 LEU HA H 124 4.464 4.521 -0.057 1 1 1369 . 15 1 1 A 124 124 LEU C C 124 175.403 176.388 -0.985 1 1 1370 . 15 1 1 A 124 124 LEU CA C 124 53.562 54.450 -0.888 1 1 1371 . 15 1 1 A 124 124 LEU CB C 124 44.813 44.209 0.604 1 1 1375 . 15 1 1 A 124 124 LEU N N 124 110.434 120.745 -10.311 1 1 1376 . 15 1 1 A 125 125 ARG H H 125 8.701 7.607 1.094 1 1 1377 . 15 1 1 A 125 125 ARG HA H 125 3.783 3.547 0.236 1 1 1380 . 15 1 1 A 125 125 ARG C C 125 173.029 174.682 -1.653 1 1 1381 . 15 1 1 A 125 125 ARG CA C 125 57.664 57.041 0.623 1 1 1382 . 15 1 1 A 125 125 ARG CB C 125 30.965 27.277 3.688 1 1 1383 . 15 1 1 A 125 125 ARG N N 125 121.940 117.120 4.820 1 1 1384 . 15 1 1 A 126 126 LEU H H 126 6.671 7.696 -1.025 1 1 1385 . 15 1 1 A 126 126 LEU HA H 126 4.621 4.821 -0.200 1 1 1395 . 15 1 1 A 126 126 LEU C C 126 174.203 175.212 -1.009 1 1 1396 . 15 1 1 A 126 126 LEU CA C 126 51.922 53.403 -1.481 1 1 1397 . 15 1 1 A 126 126 LEU CB C 126 46.727 46.043 0.684 1 1 1401 . 15 1 1 A 126 126 LEU N N 126 111.885 119.396 -7.511 1 1 1402 . 15 1 1 A 127 127 LEU H H 127 8.447 8.732 -0.285 1 1 1403 . 15 1 1 A 127 127 LEU HA H 127 5.153 4.433 0.720 1 1 1413 . 15 1 1 A 127 127 LEU C C 127 175.145 177.535 -2.390 1 1 1414 . 15 1 1 A 127 127 LEU CA C 127 52.742 55.239 -2.497 1 1 1415 . 15 1 1 A 127 127 LEU CB C 127 43.172 41.926 1.246 1 1 1419 . 15 1 1 A 127 127 LEU N N 127 118.983 124.221 -5.238 1 1 1420 . 15 1 1 A 128 128 ALA H H 128 9.160 8.778 0.382 1 1 1421 . 15 1 1 A 128 128 ALA HA H 128 3.843 4.379 -0.536 1 1 1425 . 15 1 1 A 128 128 ALA C C 128 176.603 177.057 -0.454 1 1 1426 . 15 1 1 A 128 128 ALA CA C 128 52.469 52.149 0.320 1 1 1427 . 15 1 1 A 128 128 ALA CB C 128 18.291 19.303 -1.012 1 1 1428 . 15 1 1 A 128 128 ALA N N 128 121.682 127.294 -5.612 1 1 1429 . 15 1 1 A 129 129 ARG H H 129 6.254 8.663 -2.409 1 1 1430 . 15 1 1 A 129 129 ARG HA H 129 4.700 4.968 -0.268 1 1 1436 . 15 1 1 A 129 129 ARG C C 129 176.534 175.228 1.306 1 1 1437 . 15 1 1 A 129 129 ARG CA C 129 55.651 55.729 -0.078 1 1 1438 . 15 1 1 A 129 129 ARG CB C 129 29.775 30.964 -1.189 1 1 1441 . 15 1 1 A 129 129 ARG N N 129 120.393 122.100 -1.707 1 1 1442 . 15 1 1 A 130 130 SER H H 130 8.398 9.005 -0.607 1 1 1443 . 15 1 1 A 130 130 SER HA H 130 4.767 4.919 -0.152 1 1 1446 . 15 1 1 A 130 130 SER C C 130 172.957 172.543 0.414 1 1 1447 . 15 1 1 A 130 130 SER CA C 130 57.658 57.454 0.204 1 1 1448 . 15 1 1 A 130 130 SER CB C 130 63.679 67.483 -3.804 1 1 1449 . 15 1 1 A 130 130 SER N N 130 120.264 122.320 -2.056 1 1 1450 . 15 1 1 A 131 131 VAL H H 131 7.838 7.985 -0.147 1 1 1451 . 15 1 1 A 131 131 VAL HA H 131 5.086 4.967 0.119 1 1 1459 . 15 1 1 A 131 131 VAL C C 131 172.853 174.055 -1.202 1 1 1460 . 15 1 1 A 131 131 VAL CA C 131 60.746 59.806 0.940 1 1 1461 . 15 1 1 A 131 131 VAL CB C 131 36.610 35.767 0.843 1 1 1464 . 15 1 1 A 131 131 VAL N N 131 118.460 116.160 2.300 1 1 1465 . 15 1 1 A 132 132 PHE H H 132 9.259 9.474 -0.215 1 1 1466 . 15 1 1 A 132 132 PHE HA H 132 5.583 5.614 -0.031 1 1 1470 . 15 1 1 A 132 132 PHE C C 132 174.797 174.958 -0.161 1 1 1471 . 15 1 1 A 132 132 PHE CA C 132 56.296 56.222 0.074 1 1 1472 . 15 1 1 A 132 132 PHE CB C 132 44.539 44.016 0.523 1 1 1473 . 15 1 1 A 132 132 PHE N N 132 121.682 121.742 -0.060 1 1 1474 . 15 1 1 A 133 133 VAL H H 133 8.907 8.702 0.205 1 1 1475 . 15 1 1 A 133 133 VAL HA H 133 5.331 5.085 0.246 1 1 1483 . 15 1 1 A 133 133 VAL C C 133 174.450 175.156 -0.706 1 1 1484 . 15 1 1 A 133 133 VAL CA C 133 61.491 60.601 0.890 1 1 1485 . 15 1 1 A 133 133 VAL CB C 133 34.696 35.953 -1.257 1 1 1488 . 15 1 1 A 133 133 VAL N N 133 119.878 120.128 -0.250 1 1 1489 . 15 1 1 A 134 134 LEU H H 134 9.976 9.256 0.720 1 1 1490 . 15 1 1 A 134 134 LEU HA H 134 5.680 5.287 0.393 1 1 1500 . 15 1 1 A 134 134 LEU C C 134 176.777 175.318 1.459 1 1 1501 . 15 1 1 A 134 134 LEU CA C 134 52.195 53.423 -1.228 1 1 1502 . 15 1 1 A 134 134 LEU CB C 134 44.813 45.847 -1.034 1 1 1506 . 15 1 1 A 134 134 LEU N N 134 129.417 126.669 2.748 1 1 1507 . 15 1 1 A 135 135 ASP H H 135 9.051 9.282 -0.231 1 1 1508 . 15 1 1 A 135 135 ASP HA H 135 4.708 4.736 -0.028 1 1 1511 . 15 1 1 A 135 135 ASP C C 135 177.193 177.337 -0.144 1 1 1512 . 15 1 1 A 135 135 ASP CA C 135 52.276 53.718 -1.442 1 1 1513 . 15 1 1 A 135 135 ASP CB C 135 40.711 42.095 -1.384 1 1 1514 . 15 1 1 A 135 135 ASP N N 135 119.362 125.042 -5.680 1 1 1515 . 15 1 1 A 136 136 GLU H H 136 9.970 8.917 1.053 1 1 1516 . 15 1 1 A 136 136 GLU HA H 136 3.953 4.162 -0.209 1 1 1521 . 15 1 1 A 136 136 GLU C C 136 177.055 178.197 -1.142 1 1 1522 . 15 1 1 A 136 136 GLU CA C 136 58.757 59.330 -0.573 1 1 1523 . 15 1 1 A 136 136 GLU CB C 136 28.681 29.346 -0.665 1 1 1525 . 15 1 1 A 136 136 GLU N N 136 116.011 123.971 -7.960 1 1 1526 . 15 1 1 A 137 137 ASN H H 137 8.514 8.478 0.036 1 1 1527 . 15 1 1 A 137 137 ASN HA H 137 5.026 4.796 0.230 1 1 1532 . 15 1 1 A 137 137 ASN C C 137 175.943 175.862 0.081 1 1 1533 . 15 1 1 A 137 137 ASN CA C 137 52.753 53.304 -0.551 1 1 1534 . 15 1 1 A 137 137 ASN CB C 137 40.164 38.938 1.226 1 1 1535 . 15 1 1 A 137 137 ASN N N 137 117.042 115.923 1.119 1 1 1537 . 15 1 1 A 138 138 GLY H H 138 8.430 8.491 -0.061 1 1 1538 . 15 1 1 A 138 138 GLY HA2 H 138 3.690 3.998 -0.308 1 1 1539 . 15 1 1 A 138 138 GLY HA3 H 138 4.213 4.036 0.177 1 1 1540 . 15 1 1 A 138 138 GLY C C 138 172.436 174.405 -1.969 1 1 1541 . 15 1 1 A 138 138 GLY CA C 138 46.180 45.118 1.062 1 1 1542 . 15 1 1 A 138 138 GLY N N 138 109.565 108.514 1.051 1 1 1543 . 15 1 1 A 139 139 LYS H H 139 8.573 7.975 0.598 1 1 1544 . 15 1 1 A 139 139 LYS HA H 139 4.472 4.260 0.212 1 1 1553 . 15 1 1 A 139 139 LYS C C 139 176.742 175.820 0.922 1 1 1554 . 15 1 1 A 139 139 LYS CA C 139 56.195 56.579 -0.384 1 1 1555 . 15 1 1 A 139 139 LYS CB C 139 32.782 33.013 -0.231 1 1 1559 . 15 1 1 A 139 139 LYS N N 139 123.358 122.298 1.060 1 1 1560 . 15 1 1 A 140 140 VAL H H 140 9.102 8.597 0.505 1 1 1561 . 15 1 1 A 140 140 VAL HA H 140 4.293 4.370 -0.077 1 1 1569 . 15 1 1 A 140 140 VAL C C 140 177.124 175.938 1.186 1 1 1570 . 15 1 1 A 140 140 VAL CA C 140 63.952 62.345 1.607 1 1 1571 . 15 1 1 A 140 140 VAL CB C 140 31.142 32.319 -1.177 1 1 1574 . 15 1 1 A 140 140 VAL N N 140 125.292 124.538 0.754 1 1 1575 . 15 1 1 A 141 141 VAL H H 141 9.332 9.485 -0.153 1 1 1576 . 15 1 1 A 141 141 VAL HA H 141 4.670 4.464 0.206 1 1 1584 . 15 1 1 A 141 141 VAL C C 141 175.249 175.504 -0.255 1 1 1585 . 15 1 1 A 141 141 VAL CA C 141 61.491 63.343 -1.852 1 1 1586 . 15 1 1 A 141 141 VAL CB C 141 32.509 33.638 -1.129 1 1 1589 . 15 1 1 A 141 141 VAL N N 141 124.261 125.282 -1.021 1 1 1590 . 15 1 1 A 142 142 TYR H H 142 7.959 7.642 0.317 1 1 1591 . 15 1 1 A 142 142 TYR HA H 142 4.389 4.853 -0.464 1 1 1596 . 15 1 1 A 142 142 TYR C C 142 172.262 173.484 -1.222 1 1 1597 . 15 1 1 A 142 142 TYR CA C 142 58.757 57.722 1.035 1 1 1598 . 15 1 1 A 142 142 TYR CB C 142 41.805 41.745 0.060 1 1 1599 . 15 1 1 A 142 142 TYR N N 142 122.198 121.050 1.148 1 1 1600 . 15 1 1 A 143 143 ALA H H 143 7.642 8.004 -0.362 1 1 1601 . 15 1 1 A 143 143 ALA HA H 143 4.883 4.929 -0.046 1 1 1605 . 15 1 1 A 143 143 ALA C C 143 175.353 175.247 0.106 1 1 1606 . 15 1 1 A 143 143 ALA CA C 143 51.703 51.413 0.290 1 1 1607 . 15 1 1 A 143 143 ALA CB C 143 22.666 22.630 0.036 1 1 1608 . 15 1 1 A 143 143 ALA N N 143 129.804 129.312 0.492 1 1 1609 . 15 1 1 A 144 144 GLU H H 144 8.292 8.063 0.229 1 1 1610 . 15 1 1 A 144 144 GLU HA H 144 4.297 4.713 -0.416 1 1 1615 . 15 1 1 A 144 144 GLU C C 144 173.860 173.664 0.196 1 1 1616 . 15 1 1 A 144 144 GLU CA C 144 56.296 55.317 0.979 1 1 1617 . 15 1 1 A 144 144 GLU CB C 144 32.509 33.848 -1.339 1 1 1619 . 15 1 1 A 144 144 GLU N N 144 122.198 121.447 0.751 1 1 1620 . 15 1 1 A 145 145 TYR H H 145 9.006 9.020 -0.014 1 1 1621 . 15 1 1 A 145 145 TYR HA H 145 4.125 5.067 -0.942 1 1 1626 . 15 1 1 A 145 145 TYR C C 145 175.164 175.152 0.012 1 1 1627 . 15 1 1 A 145 145 TYR CA C 145 57.117 56.913 0.204 1 1 1628 . 15 1 1 A 145 145 TYR CB C 145 38.251 40.609 -2.358 1 1 1629 . 15 1 1 A 145 145 TYR N N 145 128.128 124.007 4.121 1 1 1630 . 15 1 1 A 146 146 VAL H H 146 7.441 8.869 -1.428 1 1 1631 . 15 1 1 A 146 146 VAL HA H 146 3.672 4.008 -0.336 1 1 1639 . 15 1 1 A 146 146 VAL C C 146 176.777 176.032 0.745 1 1 1640 . 15 1 1 A 146 146 VAL CA C 146 64.226 63.667 0.559 1 1 1641 . 15 1 1 A 146 146 VAL CB C 146 30.868 31.541 -0.673 1 1 1644 . 15 1 1 A 146 146 VAL N N 146 125.808 125.981 -0.173 1 1 1645 . 15 1 1 A 147 147 SER H H 147 8.359 8.646 -0.287 1 1 1646 . 15 1 1 A 147 147 SER HA H 147 4.007 4.318 -0.311 1 1 1649 . 15 1 1 A 147 147 SER C C 147 172.123 175.156 -3.033 1 1 1650 . 15 1 1 A 147 147 SER CA C 147 63.132 61.363 1.769 1 1 1651 . 15 1 1 A 147 147 SER CB C 147 62.859 63.109 -0.250 1 1 1652 . 15 1 1 A 147 147 SER N N 147 121.425 121.514 -0.089 1 1 1653 . 15 1 1 A 148 148 GLU H H 148 7.177 7.974 -0.797 1 1 1654 . 15 1 1 A 148 148 GLU HA H 148 5.055 4.837 0.218 1 1 1659 . 15 1 1 A 148 148 GLU C C 148 176.082 176.146 -0.064 1 1 1660 . 15 1 1 A 148 148 GLU CA C 148 52.563 55.198 -2.635 1 1 1661 . 15 1 1 A 148 148 GLU CB C 148 29.774 31.001 -1.227 1 1 1663 . 15 1 1 A 148 148 GLU N N 148 119.620 121.303 -1.683 1 1 1664 . 15 1 1 A 149 149 ALA H H 149 9.142 9.320 -0.178 1 1 1665 . 15 1 1 A 149 149 ALA HA H 149 4.704 4.057 0.647 1 1 1669 . 15 1 1 A 149 149 ALA C C 149 177.437 178.977 -1.540 1 1 1670 . 15 1 1 A 149 149 ALA CA C 149 54.466 54.885 -0.419 1 1 1671 . 15 1 1 A 149 149 ALA CB C 149 19.111 18.741 0.370 1 1 1672 . 15 1 1 A 149 149 ALA N N 149 127.741 128.938 -1.197 1 1 1673 . 15 1 1 A 150 150 THR H H 150 8.200 7.626 0.574 1 1 1674 . 15 1 1 A 150 150 THR HA H 150 4.393 4.286 0.107 1 1 1679 . 15 1 1 A 150 150 THR C C 150 174.554 173.611 0.943 1 1 1680 . 15 1 1 A 150 150 THR CA C 150 62.312 62.700 -0.388 1 1 1681 . 15 1 1 A 150 150 THR CB C 150 69.694 68.962 0.732 1 1 1683 . 15 1 1 A 150 150 THR N N 150 104.453 107.490 -3.037 1 1 1684 . 15 1 1 A 151 151 ASN H H 151 7.984 7.641 0.343 1 1 1685 . 15 1 1 A 151 151 ASN HA H 151 4.947 5.417 -0.470 1 1 1690 . 15 1 1 A 151 151 ASN C C 151 174.554 173.802 0.752 1 1 1691 . 15 1 1 A 151 151 ASN CA C 151 51.135 51.380 -0.245 1 1 1692 . 15 1 1 A 151 151 ASN CB C 151 39.344 42.080 -2.736 1 1 1693 . 15 1 1 A 151 151 ASN N N 151 123.487 119.355 4.132 1 1 1695 . 15 1 1 A 152 152 HIS H H 152 8.160 8.341 -0.181 1 1 1696 . 15 1 1 A 152 152 HIS HA H 152 4.731 5.065 -0.334 1 1 1700 . 15 1 1 A 152 152 HIS C C 152 174.381 174.148 0.233 1 1 1701 . 15 1 1 A 152 152 HIS CA C 152 54.854 54.468 0.386 1 1 1702 . 15 1 1 A 152 152 HIS CB C 152 31.415 30.518 0.897 1 1 1703 . 15 1 1 A 152 152 HIS N N 152 116.139 116.767 -0.628 1 1 1704 . 15 1 1 A 153 153 PRO HA H 153 4.335 4.498 -0.163 1 1 1709 . 15 1 1 A 153 153 PRO C C 153 173.894 176.098 -2.204 1 1 1710 . 15 1 1 A 153 153 PRO CA C 153 61.491 62.343 -0.852 1 1 1711 . 15 1 1 A 153 153 PRO CB C 153 32.782 32.374 0.408 1 1 1714 . 15 1 1 A 154 154 ASN H H 154 9.511 8.677 0.834 1 1 1715 . 15 1 1 A 154 154 ASN HA H 154 4.306 5.000 -0.694 1 1 1720 . 15 1 1 A 154 154 ASN C C 154 176.568 176.383 0.185 1 1 1721 . 15 1 1 A 154 154 ASN CA C 154 54.656 52.864 1.792 1 1 1722 . 15 1 1 A 154 154 ASN CB C 154 39.071 40.086 -1.015 1 1 1723 . 15 1 1 A 154 154 ASN N N 154 118.718 120.084 -1.366 1 1 1725 . 15 1 1 A 155 155 TYR H H 155 8.691 8.263 0.428 1 1 1726 . 15 1 1 A 155 155 TYR HA H 155 4.364 4.727 -0.363 1 1 1731 . 15 1 1 A 155 155 TYR C C 155 176.256 176.957 -0.701 1 1 1732 . 15 1 1 A 155 155 TYR CA C 155 59.304 57.898 1.406 1 1 1733 . 15 1 1 A 155 155 TYR CB C 155 39.344 39.417 -0.073 1 1 1734 . 15 1 1 A 155 155 TYR N N 155 125.421 125.184 0.237 1 1 1735 . 15 1 1 A 156 156 GLU H H 156 8.200 8.160 0.040 1 1 1736 . 15 1 1 A 156 156 GLU HA H 156 4.415 4.118 0.297 1 1 1741 . 15 1 1 A 156 156 GLU C C 156 178.583 179.162 -0.579 1 1 1742 . 15 1 1 A 156 156 GLU CA C 156 58.757 59.447 -0.690 1 1 1743 . 15 1 1 A 156 156 GLU CB C 156 30.868 29.312 1.556 1 1 1745 . 15 1 1 A 156 156 GLU N N 156 119.878 122.653 -2.775 1 1 1746 . 15 1 1 A 157 157 LYS H H 157 8.718 7.781 0.937 1 1 1747 . 15 1 1 A 157 157 LYS HA H 157 4.095 3.961 0.134 1 1 1756 . 15 1 1 A 157 157 LYS C C 157 176.152 175.195 0.957 1 1 1757 . 15 1 1 A 157 157 LYS CA C 157 60.398 61.287 -0.889 1 1 1758 . 15 1 1 A 157 157 LYS CB C 157 30.595 30.913 -0.318 1 1 1762 . 15 1 1 A 157 157 LYS N N 157 121.167 119.532 1.635 1 1 1763 . 15 1 1 A 158 158 PRO HA H 158 3.116 3.693 -0.577 1 1 1770 . 15 1 1 A 158 158 PRO C C 158 177.853 179.311 -1.458 1 1 1771 . 15 1 1 A 158 158 PRO CA C 158 65.319 64.808 0.511 1 1 1772 . 15 1 1 A 158 158 PRO CB C 158 30.595 30.504 0.091 1 1 1775 . 15 1 1 A 159 159 ILE H H 159 6.215 7.370 -1.155 1 1 1776 . 15 1 1 A 159 159 ILE HA H 159 3.594 3.756 -0.162 1 1 1786 . 15 1 1 A 159 159 ILE C C 159 177.610 177.722 -0.112 1 1 1787 . 15 1 1 A 159 159 ILE CA C 159 62.312 64.209 -1.897 1 1 1788 . 15 1 1 A 159 159 ILE CB C 159 35.516 37.954 -2.438 1 1 1792 . 15 1 1 A 159 159 ILE N N 159 113.948 116.264 -2.316 1 1 1793 . 15 1 1 A 160 160 GLU H H 160 7.572 8.482 -0.910 1 1 1794 . 15 1 1 A 160 160 GLU HA H 160 3.876 4.004 -0.128 1 1 1799 . 15 1 1 A 160 160 GLU C C 160 179.277 179.433 -0.156 1 1 1800 . 15 1 1 A 160 160 GLU CA C 160 59.304 59.912 -0.608 1 1 1801 . 15 1 1 A 160 160 GLU CB C 160 29.774 28.889 0.885 1 1 1803 . 15 1 1 A 160 160 GLU N N 160 119.104 121.007 -1.903 1 1 1804 . 15 1 1 A 161 161 ALA H H 161 7.902 7.798 0.104 1 1 1805 . 15 1 1 A 161 161 ALA HA H 161 4.137 4.188 -0.051 1 1 1809 . 15 1 1 A 161 161 ALA C C 161 179.485 180.261 -0.776 1 1 1810 . 15 1 1 A 161 161 ALA CA C 161 54.656 54.943 -0.287 1 1 1811 . 15 1 1 A 161 161 ALA CB C 161 18.017 18.190 -0.173 1 1 1812 . 15 1 1 A 161 161 ALA N N 161 120.393 123.239 -2.846 1 1 1813 . 15 1 1 A 162 162 ALA H H 162 7.734 7.907 -0.173 1 1 1814 . 15 1 1 A 162 162 ALA HA H 162 3.950 4.105 -0.155 1 1 1818 . 15 1 1 A 162 162 ALA C C 162 179.485 179.203 0.282 1 1 1819 . 15 1 1 A 162 162 ALA CA C 162 54.656 55.022 -0.366 1 1 1820 . 15 1 1 A 162 162 ALA CB C 162 19.111 18.219 0.892 1 1 1821 . 15 1 1 A 162 162 ALA N N 162 118.202 121.088 -2.886 1 1 1822 . 15 1 1 A 163 163 LYS H H 163 8.760 8.485 0.275 1 1 1823 . 15 1 1 A 163 163 LYS HA H 163 3.842 4.008 -0.166 1 1 1832 . 15 1 1 A 163 163 LYS C C 163 178.201 179.588 -1.387 1 1 1833 . 15 1 1 A 163 163 LYS CA C 163 59.578 59.319 0.259 1 1 1834 . 15 1 1 A 163 163 LYS CB C 163 32.782 32.000 0.782 1 1 1838 . 15 1 1 A 163 163 LYS N N 163 118.202 116.914 1.288 1 1 1839 . 15 1 1 A 164 164 ALA H H 164 7.216 8.143 -0.927 1 1 1840 . 15 1 1 A 164 164 ALA HA H 164 4.215 4.106 0.109 1 1 1844 . 15 1 1 A 164 164 ALA C C 164 178.339 180.283 -1.944 1 1 1845 . 15 1 1 A 164 164 ALA CA C 164 53.836 54.853 -1.017 1 1 1846 . 15 1 1 A 164 164 ALA CB C 164 18.291 18.389 -0.098 1 1 1847 . 15 1 1 A 164 164 ALA N N 164 117.557 121.506 -3.949 1 1 1848 . 15 1 1 A 165 165 LEU H H 165 7.503 7.941 -0.438 1 1 1849 . 15 1 1 A 165 165 LEU HA H 165 4.432 4.065 0.367 1 1 1859 . 15 1 1 A 165 165 LEU C C 165 177.714 179.118 -1.404 1 1 1860 . 15 1 1 A 165 165 LEU CA C 165 54.929 57.831 -2.902 1 1 1861 . 15 1 1 A 165 165 LEU CB C 165 44.256 41.985 2.271 1 1 1865 . 15 1 1 A 165 165 LEU N N 165 115.753 120.033 -4.280 1 1 1866 . 15 1 1 A 166 166 VAL H H 166 7.337 8.312 -0.975 1 1 1867 . 15 1 1 A 166 166 VAL HA H 166 4.103 3.524 0.579 1 1 1875 . 15 1 1 A 166 166 VAL C C 166 175.040 175.830 -0.790 1 1 1876 . 15 1 1 A 166 166 VAL CA C 166 62.859 66.874 -4.015 1 1 1877 . 15 1 1 A 166 166 VAL CB C 166 32.509 31.756 0.753 1 1 1880 . 15 1 1 A 166 166 VAL N N 166 118.589 117.734 0.855 1 1 1 . 16 1 1 A 2 2 ALA HA H 2 3.876 3.779 0.097 1 1 5 . 16 1 1 A 2 2 ALA C C 2 172.590 176.140 -3.550 1 1 6 . 16 1 1 A 2 2 ALA CA C 2 51.922 53.131 -1.209 1 1 7 . 16 1 1 A 2 2 ALA CB C 2 18.924 17.302 1.622 1 1 8 . 16 1 1 A 3 3 GLU H H 3 8.262 7.902 0.360 1 1 9 . 16 1 1 A 3 3 GLU HA H 3 4.641 4.459 0.182 1 1 14 . 16 1 1 A 3 3 GLU C C 3 175.157 175.806 -0.649 1 1 15 . 16 1 1 A 3 3 GLU CA C 3 55.476 55.727 -0.251 1 1 16 . 16 1 1 A 3 3 GLU CB C 3 31.142 31.411 -0.269 1 1 18 . 16 1 1 A 3 3 GLU N N 3 121.167 116.966 4.201 1 1 19 . 16 1 1 A 4 4 ILE H H 4 9.053 8.208 0.845 1 1 20 . 16 1 1 A 4 4 ILE HA H 4 5.361 5.022 0.339 1 1 30 . 16 1 1 A 4 4 ILE C C 4 175.817 174.673 1.144 1 1 31 . 16 1 1 A 4 4 ILE CA C 4 59.304 59.218 0.086 1 1 32 . 16 1 1 A 4 4 ILE CB C 4 42.079 42.357 -0.278 1 1 36 . 16 1 1 A 4 4 ILE N N 4 124.776 119.762 5.014 1 1 37 . 16 1 1 A 5 5 THR H H 5 8.977 8.345 0.632 1 1 38 . 16 1 1 A 5 5 THR HA H 5 5.141 5.404 -0.263 1 1 43 . 16 1 1 A 5 5 THR C C 5 173.483 173.574 -0.091 1 1 44 . 16 1 1 A 5 5 THR CA C 5 59.304 60.331 -1.027 1 1 45 . 16 1 1 A 5 5 THR CB C 5 73.249 72.238 1.011 1 1 47 . 16 1 1 A 5 5 THR N N 5 112.659 117.266 -4.607 1 1 48 . 16 1 1 A 6 6 PHE H H 6 9.173 9.515 -0.342 1 1 49 . 16 1 1 A 6 6 PHE HA H 6 4.866 5.163 -0.297 1 1 53 . 16 1 1 A 6 6 PHE C C 6 175.591 175.101 0.490 1 1 54 . 16 1 1 A 6 6 PHE CA C 6 58.054 57.374 0.680 1 1 55 . 16 1 1 A 6 6 PHE CB C 6 42.625 42.412 0.213 1 1 56 . 16 1 1 A 6 6 PHE N N 6 119.362 124.989 -5.627 1 1 57 . 16 1 1 A 7 7 LYS H H 7 11.130 9.054 2.076 1 1 58 . 16 1 1 A 7 7 LYS HA H 7 3.567 4.090 -0.523 1 1 67 . 16 1 1 A 7 7 LYS C C 7 177.661 176.640 1.021 1 1 68 . 16 1 1 A 7 7 LYS CA C 7 57.390 57.143 0.247 1 1 69 . 16 1 1 A 7 7 LYS CB C 7 29.222 30.245 -1.023 1 1 73 . 16 1 1 A 7 7 LYS N N 7 134.058 125.764 8.294 1 1 74 . 16 1 1 A 8 8 GLY H H 8 8.965 8.821 0.144 1 1 75 . 16 1 1 A 8 8 GLY HA2 H 8 4.244 3.856 0.388 1 1 76 . 16 1 1 A 8 8 GLY HA3 H 8 3.528 3.859 -0.331 1 1 77 . 16 1 1 A 8 8 GLY C C 8 173.822 174.012 -0.190 1 1 78 . 16 1 1 A 8 8 GLY CA C 8 45.360 45.307 0.053 1 1 79 . 16 1 1 A 8 8 GLY N N 8 104.280 108.957 -4.677 1 1 80 . 16 1 1 A 9 9 GLY H H 9 7.942 8.403 -0.461 1 1 81 . 16 1 1 A 9 9 GLY HA2 H 9 4.815 4.153 0.662 1 1 82 . 16 1 1 A 9 9 GLY HA3 H 9 3.715 4.166 -0.451 1 1 83 . 16 1 1 A 9 9 GLY C C 9 171.262 173.398 -2.136 1 1 84 . 16 1 1 A 9 9 GLY CA C 9 43.172 44.739 -1.567 1 1 85 . 16 1 1 A 9 9 GLY N N 9 109.823 108.000 1.823 1 1 86 . 16 1 1 A 10 10 PRO HA H 10 4.640 4.825 -0.185 1 1 93 . 16 1 1 A 10 10 PRO C C 10 177.097 176.375 0.722 1 1 94 . 16 1 1 A 10 10 PRO CA C 10 63.952 62.923 1.029 1 1 95 . 16 1 1 A 10 10 PRO CB C 10 32.509 32.344 0.165 1 1 98 . 16 1 1 A 11 11 VAL H H 11 7.770 8.471 -0.701 1 1 99 . 16 1 1 A 11 11 VAL HA H 11 4.632 4.880 -0.248 1 1 107 . 16 1 1 A 11 11 VAL C C 11 174.462 174.265 0.197 1 1 108 . 16 1 1 A 11 11 VAL CA C 11 59.304 59.433 -0.129 1 1 109 . 16 1 1 A 11 11 VAL CB C 11 35.516 35.807 -0.291 1 1 112 . 16 1 1 A 11 11 VAL N N 11 115.495 116.674 -1.179 1 1 113 . 16 1 1 A 12 12 THR H H 12 10.773 8.814 1.959 1 1 114 . 16 1 1 A 12 12 THR HA H 12 4.425 4.669 -0.244 1 1 119 . 16 1 1 A 12 12 THR C C 12 173.505 173.978 -0.473 1 1 120 . 16 1 1 A 12 12 THR CA C 12 62.312 61.584 0.728 1 1 121 . 16 1 1 A 12 12 THR CB C 12 69.694 70.362 -0.668 1 1 123 . 16 1 1 A 12 12 THR N N 12 121.940 120.413 1.527 1 1 124 . 16 1 1 A 13 13 LEU H H 13 8.524 8.811 -0.287 1 1 125 . 16 1 1 A 13 13 LEU HA H 13 5.132 5.029 0.103 1 1 135 . 16 1 1 A 13 13 LEU C C 13 177.285 177.788 -0.503 1 1 136 . 16 1 1 A 13 13 LEU CA C 13 53.289 53.428 -0.139 1 1 137 . 16 1 1 A 13 13 LEU CB C 13 42.352 44.731 -2.379 1 1 141 . 16 1 1 A 13 13 LEU N N 13 125.550 124.310 1.240 1 1 142 . 16 1 1 A 14 14 VAL H H 14 8.962 8.586 0.376 1 1 143 . 16 1 1 A 14 14 VAL HA H 14 3.859 3.886 -0.027 1 1 151 . 16 1 1 A 14 14 VAL C C 14 174.604 176.854 -2.250 1 1 152 . 16 1 1 A 14 14 VAL CA C 14 62.312 64.423 -2.111 1 1 153 . 16 1 1 A 14 14 VAL CB C 14 32.509 31.746 0.763 1 1 156 . 16 1 1 A 14 14 VAL N N 14 126.968 120.566 6.402 1 1 157 . 16 1 1 A 15 15 GLY H H 15 7.838 7.619 0.219 1 1 158 . 16 1 1 A 15 15 GLY HA2 H 15 5.132 4.102 1.030 1 1 159 . 16 1 1 A 15 15 GLY HA3 H 15 3.730 4.113 -0.383 1 1 160 . 16 1 1 A 15 15 GLY C C 15 174.542 173.932 0.610 1 1 161 . 16 1 1 A 15 15 GLY CA C 15 43.446 45.664 -2.218 1 1 162 . 16 1 1 A 15 15 GLY N N 15 110.596 108.120 2.476 1 1 163 . 16 1 1 A 16 16 GLN H H 16 8.247 7.599 0.648 1 1 164 . 16 1 1 A 16 16 GLN HA H 16 4.347 4.065 0.282 1 1 171 . 16 1 1 A 16 16 GLN C C 16 174.876 175.792 -0.916 1 1 172 . 16 1 1 A 16 16 GLN CA C 16 54.656 56.293 -1.637 1 1 173 . 16 1 1 A 16 16 GLN CB C 16 30.321 28.952 1.369 1 1 175 . 16 1 1 A 16 16 GLN N N 16 120.522 118.696 1.826 1 1 177 . 16 1 1 A 17 17 GLU H H 17 8.149 8.570 -0.421 1 1 178 . 16 1 1 A 17 17 GLU HA H 17 3.938 4.192 -0.254 1 1 183 . 16 1 1 A 17 17 GLU C C 17 176.607 175.978 0.629 1 1 184 . 16 1 1 A 17 17 GLU CA C 17 57.117 57.731 -0.614 1 1 185 . 16 1 1 A 17 17 GLU CB C 17 30.321 29.082 1.239 1 1 187 . 16 1 1 A 17 17 GLU N N 17 123.616 120.628 2.988 1 1 188 . 16 1 1 A 18 18 VAL H H 18 8.605 8.155 0.450 1 1 189 . 16 1 1 A 18 18 VAL HA H 18 4.047 4.043 0.004 1 1 197 . 16 1 1 A 18 18 VAL C C 18 174.386 175.854 -1.468 1 1 198 . 16 1 1 A 18 18 VAL CA C 18 61.765 63.478 -1.713 1 1 199 . 16 1 1 A 18 18 VAL CB C 18 32.782 31.944 0.838 1 1 202 . 16 1 1 A 18 18 VAL N N 18 125.936 120.821 5.115 1 1 203 . 16 1 1 A 19 19 LYS H H 19 8.461 8.711 -0.250 1 1 204 . 16 1 1 A 19 19 LYS HA H 19 4.624 4.921 -0.297 1 1 213 . 16 1 1 A 19 19 LYS C C 19 176.457 174.772 1.685 1 1 214 . 16 1 1 A 19 19 LYS CA C 19 53.562 54.346 -0.784 1 1 215 . 16 1 1 A 19 19 LYS CB C 19 34.423 35.848 -1.425 1 1 219 . 16 1 1 A 19 19 LYS N N 19 123.874 123.385 0.489 1 1 220 . 16 1 1 A 20 20 VAL H H 20 8.349 8.450 -0.101 1 1 221 . 16 1 1 A 20 20 VAL HA H 20 3.421 3.989 -0.568 1 1 229 . 16 1 1 A 20 20 VAL C C 20 177.624 176.969 0.655 1 1 230 . 16 1 1 A 20 20 VAL CA C 20 65.593 63.476 2.117 1 1 231 . 16 1 1 A 20 20 VAL CB C 20 31.415 31.514 -0.099 1 1 234 . 16 1 1 A 20 20 VAL N N 20 120.393 122.243 -1.850 1 1 235 . 16 1 1 A 21 21 GLY H H 21 9.338 9.370 -0.032 1 1 236 . 16 1 1 A 21 21 GLY HA2 H 21 4.566 4.041 0.525 1 1 237 . 16 1 1 A 21 21 GLY HA3 H 21 3.536 4.048 -0.512 1 1 238 . 16 1 1 A 21 21 GLY C C 21 174.160 174.657 -0.497 1 1 239 . 16 1 1 A 21 21 GLY CA C 21 44.539 45.458 -0.919 1 1 240 . 16 1 1 A 21 21 GLY N N 21 117.429 117.569 -0.140 1 1 241 . 16 1 1 A 22 22 ASP H H 22 8.222 8.007 0.215 1 1 242 . 16 1 1 A 22 22 ASP HA H 22 4.650 4.547 0.103 1 1 245 . 16 1 1 A 22 22 ASP C C 22 176.231 175.798 0.433 1 1 246 . 16 1 1 A 22 22 ASP CA C 22 54.382 55.129 -0.747 1 1 247 . 16 1 1 A 22 22 ASP CB C 22 40.985 41.487 -0.502 1 1 248 . 16 1 1 A 22 22 ASP N N 22 121.811 121.758 0.053 1 1 249 . 16 1 1 A 23 23 GLN H H 23 8.598 7.996 0.602 1 1 250 . 16 1 1 A 23 23 GLN HA H 23 4.224 4.376 -0.152 1 1 257 . 16 1 1 A 23 23 GLN C C 23 175.892 174.731 1.161 1 1 258 . 16 1 1 A 23 23 GLN CA C 23 55.203 58.182 -2.979 1 1 259 . 16 1 1 A 23 23 GLN CB C 23 28.954 27.845 1.109 1 1 261 . 16 1 1 A 23 23 GLN N N 23 119.491 117.101 2.390 1 1 263 . 16 1 1 A 24 24 ALA H H 24 8.664 8.374 0.290 1 1 264 . 16 1 1 A 24 24 ALA HA H 24 4.030 4.522 -0.492 1 1 268 . 16 1 1 A 24 24 ALA C C 24 174.386 177.206 -2.820 1 1 269 . 16 1 1 A 24 24 ALA CA C 24 51.101 49.079 2.022 1 1 270 . 16 1 1 A 24 24 ALA CB C 24 19.111 20.631 -1.520 1 1 271 . 16 1 1 A 24 24 ALA N N 24 129.804 124.234 5.570 1 1 272 . 16 1 1 A 25 25 PRO HA H 25 4.422 4.359 0.063 1 1 279 . 16 1 1 A 25 25 PRO C C 25 173.596 177.103 -3.507 1 1 280 . 16 1 1 A 25 25 PRO CA C 25 61.765 64.893 -3.128 1 1 281 . 16 1 1 A 25 25 PRO CB C 25 32.509 32.047 0.462 1 1 284 . 16 1 1 A 26 26 ASP H H 26 7.546 8.329 -0.783 1 1 285 . 16 1 1 A 26 26 ASP HA H 26 4.411 4.408 0.003 1 1 288 . 16 1 1 A 26 26 ASP C C 26 175.591 174.759 0.832 1 1 289 . 16 1 1 A 26 26 ASP CA C 26 54.656 54.866 -0.210 1 1 290 . 16 1 1 A 26 26 ASP CB C 26 42.625 39.291 3.334 1 1 291 . 16 1 1 A 26 26 ASP N N 26 114.979 118.860 -3.881 1 1 292 . 16 1 1 A 27 27 PHE H H 27 7.379 8.899 -1.520 1 1 293 . 16 1 1 A 27 27 PHE HA H 27 4.659 5.126 -0.467 1 1 295 . 16 1 1 A 27 27 PHE C C 27 173.407 174.501 -1.094 1 1 296 . 16 1 1 A 27 27 PHE CA C 27 56.570 56.615 -0.045 1 1 297 . 16 1 1 A 27 27 PHE CB C 27 39.891 44.183 -4.292 1 1 298 . 16 1 1 A 27 27 PHE N N 27 113.561 123.975 -10.414 1 1 299 . 16 1 1 A 28 28 THR H H 28 8.540 8.976 -0.436 1 1 300 . 16 1 1 A 28 28 THR HA H 28 4.936 4.782 0.154 1 1 305 . 16 1 1 A 28 28 THR C C 28 173.443 174.187 -0.744 1 1 306 . 16 1 1 A 28 28 THR CA C 28 62.889 61.804 1.085 1 1 307 . 16 1 1 A 28 28 THR CB C 28 72.155 71.018 1.137 1 1 309 . 16 1 1 A 28 28 THR N N 28 114.593 116.508 -1.915 1 1 310 . 16 1 1 A 29 29 VAL H H 29 9.120 8.578 0.542 1 1 311 . 16 1 1 A 29 29 VAL HA H 29 4.863 4.846 0.017 1 1 319 . 16 1 1 A 29 29 VAL C C 29 173.558 172.891 0.667 1 1 320 . 16 1 1 A 29 29 VAL CA C 29 59.527 59.662 -0.135 1 1 321 . 16 1 1 A 29 29 VAL CB C 29 35.243 35.809 -0.566 1 1 324 . 16 1 1 A 29 29 VAL N N 29 119.233 121.218 -1.985 1 1 325 . 16 1 1 A 30 30 LEU H H 30 8.565 8.777 -0.212 1 1 326 . 16 1 1 A 30 30 LEU HA H 30 5.615 5.398 0.217 1 1 336 . 16 1 1 A 30 30 LEU C C 30 180.310 176.503 3.807 1 1 337 . 16 1 1 A 30 30 LEU CA C 30 53.562 53.065 0.497 1 1 338 . 16 1 1 A 30 30 LEU CB C 30 47.547 45.245 2.302 1 1 342 . 16 1 1 A 30 30 LEU N N 30 117.429 125.790 -8.361 1 1 343 . 16 1 1 A 31 31 THR H H 31 9.587 8.824 0.763 1 1 344 . 16 1 1 A 31 31 THR HA H 31 4.741 4.589 0.152 1 1 349 . 16 1 1 A 31 31 THR C C 31 176.457 175.587 0.870 1 1 350 . 16 1 1 A 31 31 THR CA C 31 60.632 60.500 0.132 1 1 351 . 16 1 1 A 31 31 THR CB C 31 71.451 71.272 0.179 1 1 353 . 16 1 1 A 31 31 THR N N 31 114.721 114.850 -0.129 1 1 354 . 16 1 1 A 32 32 ASN H H 32 9.812 9.135 0.677 1 1 355 . 16 1 1 A 32 32 ASN HA H 32 4.352 4.466 -0.114 1 1 358 . 16 1 1 A 32 32 ASN C C 32 175.252 176.929 -1.677 1 1 359 . 16 1 1 A 32 32 ASN CA C 32 55.476 55.899 -0.423 1 1 360 . 16 1 1 A 32 32 ASN CB C 32 38.524 37.907 0.617 1 1 361 . 16 1 1 A 32 32 ASN N N 32 118.460 120.878 -2.418 1 1 362 . 16 1 1 A 33 33 SER H H 33 7.782 7.745 0.037 1 1 363 . 16 1 1 A 33 33 SER HA H 33 4.562 4.511 0.051 1 1 366 . 16 1 1 A 33 33 SER C C 33 173.822 173.168 0.654 1 1 367 . 16 1 1 A 33 33 SER CA C 33 57.390 58.232 -0.842 1 1 368 . 16 1 1 A 33 33 SER CB C 33 62.859 63.281 -0.422 1 1 369 . 16 1 1 A 33 33 SER N N 33 110.725 111.996 -1.271 1 1 370 . 16 1 1 A 34 34 LEU H H 34 8.342 8.006 0.336 1 1 371 . 16 1 1 A 34 34 LEU HA H 34 3.686 3.771 -0.085 1 1 381 . 16 1 1 A 34 34 LEU C C 34 175.516 175.319 0.197 1 1 382 . 16 1 1 A 34 34 LEU CA C 34 57.117 56.229 0.888 1 1 383 . 16 1 1 A 34 34 LEU CB C 34 37.430 39.630 -2.200 1 1 387 . 16 1 1 A 34 34 LEU N N 34 116.913 119.600 -2.687 1 1 388 . 16 1 1 A 35 35 GLU H H 35 7.538 7.641 -0.103 1 1 389 . 16 1 1 A 35 35 GLU HA H 35 4.546 4.818 -0.272 1 1 394 . 16 1 1 A 35 35 GLU C C 35 176.005 175.575 0.430 1 1 395 . 16 1 1 A 35 35 GLU CA C 35 54.929 54.779 0.150 1 1 396 . 16 1 1 A 35 35 GLU CB C 35 30.868 32.273 -1.405 1 1 398 . 16 1 1 A 35 35 GLU N N 35 117.429 116.955 0.474 1 1 399 . 16 1 1 A 36 36 GLU H H 36 8.681 8.583 0.098 1 1 400 . 16 1 1 A 36 36 GLU HA H 36 4.740 4.512 0.228 1 1 405 . 16 1 1 A 36 36 GLU C C 36 176.833 175.513 1.320 1 1 406 . 16 1 1 A 36 36 GLU CA C 36 56.923 56.871 0.052 1 1 407 . 16 1 1 A 36 36 GLU CB C 36 30.868 30.136 0.732 1 1 409 . 16 1 1 A 36 36 GLU N N 36 121.296 122.028 -0.732 1 1 410 . 16 1 1 A 37 37 LYS H H 37 9.122 8.701 0.421 1 1 411 . 16 1 1 A 37 37 LYS HA H 37 4.639 4.695 -0.056 1 1 420 . 16 1 1 A 37 37 LYS C C 37 173.671 175.431 -1.760 1 1 421 . 16 1 1 A 37 37 LYS CA C 37 55.476 55.136 0.340 1 1 422 . 16 1 1 A 37 37 LYS CB C 37 35.243 35.429 -0.186 1 1 426 . 16 1 1 A 37 37 LYS N N 37 125.292 123.742 1.550 1 1 427 . 16 1 1 A 38 38 SER H H 38 9.337 8.995 0.342 1 1 428 . 16 1 1 A 38 38 SER HA H 38 5.310 4.449 0.861 1 1 431 . 16 1 1 A 38 38 SER C C 38 175.102 175.164 -0.062 1 1 432 . 16 1 1 A 38 38 SER CA C 38 56.296 58.695 -2.399 1 1 433 . 16 1 1 A 38 38 SER CB C 38 67.233 63.635 3.598 1 1 434 . 16 1 1 A 38 38 SER N N 38 121.811 123.512 -1.701 1 1 435 . 16 1 1 A 39 39 LEU H H 39 7.023 8.593 -1.570 1 1 436 . 16 1 1 A 39 39 LEU HA H 39 3.872 3.985 -0.113 1 1 446 . 16 1 1 A 39 39 LEU C C 39 179.845 178.538 1.307 1 1 447 . 16 1 1 A 39 39 LEU CA C 39 58.210 58.372 -0.162 1 1 448 . 16 1 1 A 39 39 LEU CB C 39 40.711 41.444 -0.733 1 1 452 . 16 1 1 A 39 39 LEU N N 39 121.811 127.579 -5.768 1 1 453 . 16 1 1 A 40 40 ALA H H 40 8.447 8.366 0.081 1 1 454 . 16 1 1 A 40 40 ALA HA H 40 3.890 3.924 -0.034 1 1 458 . 16 1 1 A 40 40 ALA C C 40 179.995 179.595 0.400 1 1 459 . 16 1 1 A 40 40 ALA CA C 40 55.203 55.005 0.198 1 1 460 . 16 1 1 A 40 40 ALA CB C 40 18.291 18.505 -0.214 1 1 461 . 16 1 1 A 40 40 ALA N N 40 119.362 120.154 -0.792 1 1 462 . 16 1 1 A 41 41 ASP H H 41 7.517 8.084 -0.567 1 1 463 . 16 1 1 A 41 41 ASP HA H 41 4.469 4.355 0.114 1 1 466 . 16 1 1 A 41 41 ASP C C 41 176.720 178.918 -2.198 1 1 467 . 16 1 1 A 41 41 ASP CA C 41 56.296 56.759 -0.463 1 1 468 . 16 1 1 A 41 41 ASP CB C 41 42.079 40.753 1.326 1 1 469 . 16 1 1 A 41 41 ASP N N 41 114.850 118.348 -3.498 1 1 470 . 16 1 1 A 42 42 MET H H 42 7.989 8.380 -0.391 1 1 471 . 16 1 1 A 42 42 MET HA H 42 4.336 4.356 -0.020 1 1 479 . 16 1 1 A 42 42 MET C C 42 175.440 176.372 -0.932 1 1 480 . 16 1 1 A 42 42 MET CA C 42 56.843 58.522 -1.679 1 1 481 . 16 1 1 A 42 42 MET CB C 42 31.962 33.534 -1.572 1 1 484 . 16 1 1 A 42 42 MET N N 42 118.847 116.788 2.059 1 1 485 . 16 1 1 A 43 43 LYS H H 43 6.901 7.647 -0.746 1 1 486 . 16 1 1 A 43 43 LYS HA H 43 4.265 4.363 -0.098 1 1 494 . 16 1 1 A 43 43 LYS C C 43 177.435 176.838 0.597 1 1 495 . 16 1 1 A 43 43 LYS CA C 43 57.664 56.173 1.491 1 1 496 . 16 1 1 A 43 43 LYS CB C 43 33.329 33.808 -0.479 1 1 500 . 16 1 1 A 43 43 LYS N N 43 116.913 116.982 -0.069 1 1 501 . 16 1 1 A 44 44 GLY H H 44 9.268 8.995 0.273 1 1 502 . 16 1 1 A 44 44 GLY HA2 H 44 3.692 4.011 -0.319 1 1 503 . 16 1 1 A 44 44 GLY HA3 H 44 4.596 4.011 0.585 1 1 504 . 16 1 1 A 44 44 GLY C C 44 173.671 173.212 0.459 1 1 505 . 16 1 1 A 44 44 GLY CA C 44 44.813 45.071 -0.258 1 1 506 . 16 1 1 A 44 44 GLY N N 44 111.112 110.316 0.796 1 1 507 . 16 1 1 A 45 45 LYS H H 45 7.516 7.778 -0.262 1 1 508 . 16 1 1 A 45 45 LYS HA H 45 4.754 4.814 -0.060 1 1 515 . 16 1 1 A 45 45 LYS C C 45 175.214 174.768 0.446 1 1 516 . 16 1 1 A 45 45 LYS CA C 45 54.820 55.049 -0.229 1 1 517 . 16 1 1 A 45 45 LYS CB C 45 36.883 36.172 0.711 1 1 521 . 16 1 1 A 45 45 LYS N N 45 117.944 120.950 -3.006 1 1 522 . 16 1 1 A 46 46 VAL H H 46 8.887 8.579 0.308 1 1 523 . 16 1 1 A 46 46 VAL HA H 46 3.950 4.361 -0.411 1 1 531 . 16 1 1 A 46 46 VAL C C 46 174.876 175.217 -0.341 1 1 532 . 16 1 1 A 46 46 VAL CA C 46 64.773 63.250 1.523 1 1 533 . 16 1 1 A 46 46 VAL CB C 46 31.962 32.362 -0.400 1 1 536 . 16 1 1 A 46 46 VAL N N 46 124.776 124.280 0.496 1 1 537 . 16 1 1 A 47 47 THR H H 47 8.956 9.012 -0.056 1 1 538 . 16 1 1 A 47 47 THR HA H 47 5.300 5.506 -0.206 1 1 543 . 16 1 1 A 47 47 THR C C 47 172.579 173.518 -0.939 1 1 544 . 16 1 1 A 47 47 THR CA C 47 62.312 61.346 0.966 1 1 545 . 16 1 1 A 47 47 THR CB C 47 73.249 72.458 0.791 1 1 547 . 16 1 1 A 47 47 THR N N 47 124.132 121.259 2.873 1 1 548 . 16 1 1 A 48 48 ILE H H 48 9.160 9.123 0.037 1 1 549 . 16 1 1 A 48 48 ILE HA H 48 4.740 5.092 -0.352 1 1 559 . 16 1 1 A 48 48 ILE C C 48 173.972 175.335 -1.363 1 1 560 . 16 1 1 A 48 48 ILE CA C 48 61.441 59.662 1.779 1 1 561 . 16 1 1 A 48 48 ILE CB C 48 40.438 41.297 -0.859 1 1 565 . 16 1 1 A 48 48 ILE N N 48 128.515 124.753 3.762 1 1 566 . 16 1 1 A 49 49 ILE H H 49 9.507 9.251 0.256 1 1 567 . 16 1 1 A 49 49 ILE HA H 49 4.883 4.825 0.058 1 1 577 . 16 1 1 A 49 49 ILE C C 49 174.650 175.071 -0.421 1 1 578 . 16 1 1 A 49 49 ILE CA C 49 60.773 60.379 0.394 1 1 579 . 16 1 1 A 49 49 ILE CB C 49 41.532 41.326 0.206 1 1 583 . 16 1 1 A 49 49 ILE N N 49 126.194 127.083 -0.889 1 1 584 . 16 1 1 A 50 50 SER H H 50 9.079 9.078 0.001 1 1 585 . 16 1 1 A 50 50 SER HA H 50 5.138 5.250 -0.112 1 1 588 . 16 1 1 A 50 50 SER C C 50 172.692 173.725 -1.033 1 1 589 . 16 1 1 A 50 50 SER CA C 50 56.843 58.597 -1.754 1 1 590 . 16 1 1 A 50 50 SER CB C 50 64.773 64.381 0.392 1 1 591 . 16 1 1 A 50 50 SER N N 50 121.940 124.380 -2.440 1 1 592 . 16 1 1 A 51 51 VAL H H 51 9.010 8.925 0.085 1 1 593 . 16 1 1 A 51 51 VAL HA H 51 4.873 5.196 -0.323 1 1 601 . 16 1 1 A 51 51 VAL CA C 51 61.595 61.015 0.580 1 1 602 . 16 1 1 A 51 51 VAL CB C 51 32.509 35.347 -2.838 1 1 605 . 16 1 1 A 51 51 VAL N N 51 128.128 123.639 4.489 1 1 606 . 16 1 1 A 52 52 ILE H H 52 8.182 8.686 -0.504 1 1 607 . 16 1 1 A 52 52 ILE HA H 52 4.862 4.883 -0.021 1 1 616 . 16 1 1 A 52 52 ILE CA C 52 58.026 57.619 0.407 1 1 617 . 16 1 1 A 52 52 ILE CB C 52 43.172 40.551 2.621 1 1 621 . 16 1 1 A 52 52 ILE N N 52 124.776 123.349 1.427 1 1 622 . 16 1 1 A 53 53 PRO HA H 53 4.904 4.616 0.288 1 1 629 . 16 1 1 A 53 53 PRO CA C 53 65.560 64.972 0.588 1 1 630 . 16 1 1 A 53 53 PRO CB C 53 31.826 32.340 -0.514 1 1 633 . 16 1 1 A 54 54 SER H H 54 7.214 7.755 -0.541 1 1 634 . 16 1 1 A 54 54 SER HA H 54 5.100 5.028 0.072 1 1 637 . 16 1 1 A 54 54 SER CA C 54 57.417 57.982 -0.565 1 1 638 . 16 1 1 A 54 54 SER CB C 54 65.195 67.076 -1.881 1 1 639 . 16 1 1 A 54 54 SER N N 54 107.901 112.930 -5.029 1 1 640 . 16 1 1 A 55 55 ILE H H 55 7.330 8.596 -1.266 1 1 641 . 16 1 1 A 55 55 ILE HA H 55 5.075 3.954 1.121 1 1 651 . 16 1 1 A 55 55 ILE CA C 55 61.734 63.941 -2.207 1 1 652 . 16 1 1 A 55 55 ILE CB C 55 36.233 37.918 -1.685 1 1 656 . 16 1 1 A 56 56 ASP H H 56 8.699 8.118 0.581 1 1 657 . 16 1 1 A 56 56 ASP HA H 56 5.075 4.560 0.515 1 1 660 . 16 1 1 A 56 56 ASP CA C 56 54.407 56.309 -1.902 1 1 661 . 16 1 1 A 56 56 ASP CB C 56 42.832 41.483 1.349 1 1 662 . 16 1 1 A 56 56 ASP N N 56 121.940 121.281 0.659 1 1 663 . 16 1 1 A 57 57 THR H H 57 7.294 7.398 -0.104 1 1 664 . 16 1 1 A 57 57 THR HA H 57 4.323 4.220 0.103 1 1 669 . 16 1 1 A 57 57 THR C C 57 175.440 175.929 -0.489 1 1 670 . 16 1 1 A 57 57 THR CA C 57 61.765 63.551 -1.786 1 1 671 . 16 1 1 A 57 57 THR CB C 57 69.421 70.350 -0.929 1 1 673 . 16 1 1 A 57 57 THR N N 57 108.921 111.252 -2.331 1 1 674 . 16 1 1 A 58 58 GLY H H 58 8.215 7.945 0.270 1 1 675 . 16 1 1 A 58 58 GLY HA2 H 58 4.012 3.933 0.079 1 1 676 . 16 1 1 A 58 58 GLY HA3 H 58 4.012 3.940 0.072 1 1 677 . 16 1 1 A 58 58 GLY C C 58 173.520 174.998 -1.478 1 1 678 . 16 1 1 A 58 58 GLY CA C 58 45.360 45.806 -0.446 1 1 679 . 16 1 1 A 58 58 GLY N N 58 110.969 110.264 0.705 1 1 680 . 16 1 1 A 59 59 VAL H H 59 7.976 7.542 0.434 1 1 681 . 16 1 1 A 59 59 VAL HA H 59 4.307 3.886 0.421 1 1 689 . 16 1 1 A 59 59 VAL C C 59 175.854 177.042 -1.188 1 1 690 . 16 1 1 A 59 59 VAL CA C 59 61.765 63.935 -2.170 1 1 691 . 16 1 1 A 59 59 VAL CB C 59 33.329 31.527 1.802 1 1 694 . 16 1 1 A 59 59 VAL N N 59 118.501 120.615 -2.114 1 1 696 . 16 1 1 A 61 61 ASP HA H 61 4.323 4.338 -0.015 1 1 697 . 16 1 1 A 61 61 ASP CA C 61 54.382 57.149 -2.767 1 1 698 . 16 1 1 A 61 61 ASP CB C 61 39.142 41.001 -1.859 1 1 699 . 16 1 1 A 62 62 ALA H H 62 8.663 7.772 0.891 1 1 700 . 16 1 1 A 62 62 ALA HA H 62 3.971 4.039 -0.068 1 1 704 . 16 1 1 A 62 62 ALA C C 62 180.485 178.127 2.358 1 1 705 . 16 1 1 A 62 62 ALA CA C 62 55.203 55.017 0.186 1 1 706 . 16 1 1 A 62 62 ALA CB C 62 18.838 18.718 0.120 1 1 707 . 16 1 1 A 63 63 GLN H H 63 8.550 7.536 1.014 1 1 708 . 16 1 1 A 63 63 GLN HA H 63 3.865 4.343 -0.478 1 1 715 . 16 1 1 A 63 63 GLN C C 63 178.527 176.874 1.653 1 1 716 . 16 1 1 A 63 63 GLN CA C 63 59.346 55.770 3.576 1 1 717 . 16 1 1 A 63 63 GLN CB C 63 28.635 30.708 -2.073 1 1 719 . 16 1 1 A 63 63 GLN N N 63 117.429 112.378 5.051 1 1 721 . 16 1 1 A 64 64 THR H H 64 8.121 7.666 0.455 1 1 722 . 16 1 1 A 64 64 THR HA H 64 3.624 4.143 -0.519 1 1 727 . 16 1 1 A 64 64 THR C C 64 178.527 176.317 2.210 1 1 728 . 16 1 1 A 64 64 THR CA C 64 66.686 66.748 -0.062 1 1 729 . 16 1 1 A 64 64 THR CB C 64 68.600 68.363 0.237 1 1 731 . 16 1 1 A 64 64 THR N N 64 118.460 116.428 2.032 1 1 732 . 16 1 1 A 65 65 ARG H H 65 7.530 8.129 -0.599 1 1 733 . 16 1 1 A 65 65 ARG HA H 65 3.904 3.970 -0.066 1 1 739 . 16 1 1 A 65 65 ARG CA C 65 59.507 59.967 -0.460 1 1 740 . 16 1 1 A 65 65 ARG CB C 65 29.637 29.856 -0.219 1 1 743 . 16 1 1 A 66 66 ARG H H 66 7.972 7.721 0.251 1 1 744 . 16 1 1 A 66 66 ARG HA H 66 4.056 3.952 0.104 1 1 751 . 16 1 1 A 66 66 ARG C C 66 177.624 178.203 -0.579 1 1 752 . 16 1 1 A 66 66 ARG CA C 66 59.031 59.025 0.006 1 1 753 . 16 1 1 A 66 66 ARG CB C 66 29.228 29.722 -0.494 1 1 756 . 16 1 1 A 66 66 ARG N N 66 118.460 119.510 -1.050 1 1 757 . 16 1 1 A 67 67 PHE H H 67 7.673 8.615 -0.942 1 1 758 . 16 1 1 A 67 67 PHE HA H 67 4.260 4.384 -0.124 1 1 763 . 16 1 1 A 67 67 PHE C C 67 176.043 177.907 -1.864 1 1 764 . 16 1 1 A 67 67 PHE CA C 67 60.945 61.328 -0.383 1 1 765 . 16 1 1 A 67 67 PHE CB C 67 39.071 39.124 -0.053 1 1 766 . 16 1 1 A 67 67 PHE N N 67 119.362 120.664 -1.302 1 1 767 . 16 1 1 A 68 68 ASN H H 68 7.688 8.439 -0.751 1 1 768 . 16 1 1 A 68 68 ASN HA H 68 4.150 3.915 0.235 1 1 771 . 16 1 1 A 68 68 ASN C C 68 177.172 177.524 -0.352 1 1 772 . 16 1 1 A 68 68 ASN CA C 68 55.750 56.512 -0.762 1 1 773 . 16 1 1 A 68 68 ASN CB C 68 37.977 38.461 -0.484 1 1 774 . 16 1 1 A 68 68 ASN N N 68 117.042 117.349 -0.307 1 1 775 . 16 1 1 A 69 69 GLU H H 69 8.185 8.407 -0.222 1 1 776 . 16 1 1 A 69 69 GLU HA H 69 3.848 3.994 -0.146 1 1 781 . 16 1 1 A 69 69 GLU C C 69 179.468 178.907 0.561 1 1 782 . 16 1 1 A 69 69 GLU CA C 69 59.577 59.296 0.281 1 1 783 . 16 1 1 A 69 69 GLU CB C 69 30.321 29.285 1.036 1 1 785 . 16 1 1 A 69 69 GLU N N 69 118.975 119.252 -0.277 1 1 786 . 16 1 1 A 70 70 GLU H H 70 8.671 8.610 0.061 1 1 787 . 16 1 1 A 70 70 GLU HA H 70 3.807 4.046 -0.239 1 1 792 . 16 1 1 A 70 70 GLU C C 70 179.468 178.840 0.628 1 1 793 . 16 1 1 A 70 70 GLU CA C 70 58.757 59.053 -0.296 1 1 794 . 16 1 1 A 70 70 GLU CB C 70 29.501 30.038 -0.537 1 1 796 . 16 1 1 A 70 70 GLU N N 70 118.975 119.470 -0.495 1 1 797 . 16 1 1 A 71 71 ALA H H 71 8.418 8.218 0.200 1 1 798 . 16 1 1 A 71 71 ALA HA H 71 3.616 4.046 -0.430 1 1 802 . 16 1 1 A 71 71 ALA C C 71 178.226 180.413 -2.187 1 1 803 . 16 1 1 A 71 71 ALA CA C 71 54.656 54.834 -0.178 1 1 804 . 16 1 1 A 71 71 ALA CB C 71 18.017 17.902 0.115 1 1 805 . 16 1 1 A 71 71 ALA N N 71 122.069 122.930 -0.861 1 1 806 . 16 1 1 A 72 72 ALA H H 72 7.520 7.716 -0.196 1 1 807 . 16 1 1 A 72 72 ALA HA H 72 3.842 4.063 -0.221 1 1 811 . 16 1 1 A 72 72 ALA C C 72 179.280 177.902 1.378 1 1 812 . 16 1 1 A 72 72 ALA CA C 72 54.109 53.714 0.395 1 1 813 . 16 1 1 A 72 72 ALA CB C 72 18.564 18.284 0.280 1 1 814 . 16 1 1 A 72 72 ALA N N 72 116.139 119.611 -3.472 1 1 815 . 16 1 1 A 73 73 LYS H H 73 7.302 8.111 -0.809 1 1 816 . 16 1 1 A 73 73 LYS HA H 73 4.129 4.452 -0.323 1 1 825 . 16 1 1 A 73 73 LYS C C 73 177.661 177.661 0.000 1 1 826 . 16 1 1 A 73 73 LYS CA C 73 57.116 56.201 0.915 1 1 827 . 16 1 1 A 73 73 LYS CB C 73 32.782 33.608 -0.826 1 1 831 . 16 1 1 A 73 73 LYS N N 73 114.850 116.382 -1.532 1 1 832 . 16 1 1 A 74 74 LEU H H 74 7.398 7.547 -0.149 1 1 833 . 16 1 1 A 74 74 LEU HA H 74 3.983 4.052 -0.069 1 1 843 . 16 1 1 A 74 74 LEU C C 74 177.021 176.856 0.165 1 1 844 . 16 1 1 A 74 74 LEU CA C 74 56.843 56.926 -0.083 1 1 845 . 16 1 1 A 74 74 LEU CB C 74 42.625 42.690 -0.065 1 1 849 . 16 1 1 A 74 74 LEU N N 74 118.460 120.184 -1.724 1 1 850 . 16 1 1 A 75 75 GLY H H 75 7.174 7.244 -0.070 1 1 851 . 16 1 1 A 75 75 GLY HA2 H 75 4.215 4.080 0.135 1 1 852 . 16 1 1 A 75 75 GLY HA3 H 75 3.630 4.082 -0.452 1 1 853 . 16 1 1 A 75 75 GLY C C 75 172.805 173.471 -0.666 1 1 854 . 16 1 1 A 75 75 GLY CA C 75 45.360 45.650 -0.290 1 1 855 . 16 1 1 A 75 75 GLY N N 75 102.991 104.519 -1.528 1 1 856 . 16 1 1 A 76 76 ASP H H 76 8.825 8.509 0.316 1 1 857 . 16 1 1 A 76 76 ASP HA H 76 4.766 4.707 0.059 1 1 860 . 16 1 1 A 76 76 ASP C C 76 173.749 176.415 -2.666 1 1 861 . 16 1 1 A 76 76 ASP CA C 76 53.708 54.004 -0.296 1 1 862 . 16 1 1 A 76 76 ASP CB C 76 39.071 40.518 -1.447 1 1 863 . 16 1 1 A 76 76 ASP N N 76 126.839 122.347 4.492 1 1 864 . 16 1 1 A 77 77 VAL H H 77 7.511 7.223 0.288 1 1 865 . 16 1 1 A 77 77 VAL HA H 77 4.772 3.940 0.832 1 1 873 . 16 1 1 A 77 77 VAL C C 77 175.629 176.344 -0.715 1 1 874 . 16 1 1 A 77 77 VAL CA C 77 58.959 63.089 -4.130 1 1 875 . 16 1 1 A 77 77 VAL CB C 77 34.970 31.944 3.026 1 1 878 . 16 1 1 A 77 77 VAL N N 77 115.615 120.124 -4.509 1 1 879 . 16 1 1 A 78 78 ASN H H 78 8.822 8.442 0.380 1 1 880 . 16 1 1 A 78 78 ASN HA H 78 4.820 4.667 0.153 1 1 885 . 16 1 1 A 78 78 ASN C C 78 174.047 174.634 -0.587 1 1 886 . 16 1 1 A 78 78 ASN CA C 78 52.085 53.741 -1.656 1 1 887 . 16 1 1 A 78 78 ASN CB C 78 40.438 38.470 1.968 1 1 888 . 16 1 1 A 78 78 ASN N N 78 120.393 125.436 -5.043 1 1 890 . 16 1 1 A 79 79 VAL H H 79 8.044 7.988 0.056 1 1 891 . 16 1 1 A 79 79 VAL HA H 79 4.669 4.822 -0.153 1 1 899 . 16 1 1 A 79 79 VAL C C 79 174.123 172.650 1.473 1 1 900 . 16 1 1 A 79 79 VAL CA C 79 61.491 59.780 1.711 1 1 901 . 16 1 1 A 79 79 VAL CB C 79 33.329 34.966 -1.637 1 1 904 . 16 1 1 A 79 79 VAL N N 79 122.456 119.449 3.007 1 1 905 . 16 1 1 A 80 80 TYR H H 80 8.944 8.881 0.063 1 1 906 . 16 1 1 A 80 80 TYR HA H 80 6.170 5.334 0.836 1 1 911 . 16 1 1 A 80 80 TYR C C 80 177.210 174.805 2.405 1 1 912 . 16 1 1 A 80 80 TYR CA C 80 54.929 55.863 -0.934 1 1 913 . 16 1 1 A 80 80 TYR CB C 80 42.899 43.187 -0.288 1 1 914 . 16 1 1 A 80 80 TYR N N 80 123.229 125.394 -2.165 1 1 915 . 16 1 1 A 81 81 THR H H 81 8.465 8.576 -0.111 1 1 916 . 16 1 1 A 81 81 THR HA H 81 5.652 5.359 0.293 1 1 921 . 16 1 1 A 81 81 THR C C 81 172.880 173.265 -0.385 1 1 922 . 16 1 1 A 81 81 THR CA C 81 62.038 61.476 0.562 1 1 923 . 16 1 1 A 81 81 THR CB C 81 71.608 71.606 0.002 1 1 925 . 16 1 1 A 81 81 THR N N 81 119.491 115.346 4.145 1 1 926 . 16 1 1 A 82 82 ILE H H 82 8.958 9.137 -0.179 1 1 927 . 16 1 1 A 82 82 ILE HA H 82 5.145 4.977 0.168 1 1 937 . 16 1 1 A 82 82 ILE C C 82 174.123 174.879 -0.756 1 1 938 . 16 1 1 A 82 82 ILE CA C 82 59.847 60.173 -0.326 1 1 939 . 16 1 1 A 82 82 ILE CB C 82 39.618 40.019 -0.401 1 1 943 . 16 1 1 A 82 82 ILE N N 82 125.550 129.897 -4.347 1 1 944 . 16 1 1 A 83 83 SER H H 83 7.731 8.679 -0.948 1 1 945 . 16 1 1 A 83 83 SER HA H 83 4.909 5.393 -0.484 1 1 948 . 16 1 1 A 83 83 SER C C 83 173.182 173.597 -0.415 1 1 949 . 16 1 1 A 83 83 SER CA C 83 57.034 57.953 -0.919 1 1 950 . 16 1 1 A 83 83 SER CB C 83 68.054 67.228 0.826 1 1 951 . 16 1 1 A 83 83 SER N N 83 117.171 123.292 -6.121 1 1 952 . 16 1 1 A 84 84 ALA H H 84 9.548 8.858 0.690 1 1 953 . 16 1 1 A 84 84 ALA HA H 84 4.177 4.568 -0.391 1 1 957 . 16 1 1 A 84 84 ALA C C 84 175.290 178.036 -2.746 1 1 958 . 16 1 1 A 84 84 ALA CA C 84 51.922 52.058 -0.136 1 1 959 . 16 1 1 A 84 84 ALA CB C 84 19.111 20.129 -1.018 1 1 960 . 16 1 1 A 84 84 ALA N N 84 120.651 125.381 -4.730 1 1 961 . 16 1 1 A 85 85 ASP H H 85 7.739 8.602 -0.863 1 1 962 . 16 1 1 A 85 85 ASP HA H 85 4.380 4.536 -0.156 1 1 965 . 16 1 1 A 85 85 ASP C C 85 175.591 176.158 -0.567 1 1 966 . 16 1 1 A 85 85 ASP CA C 85 55.136 56.279 -1.143 1 1 967 . 16 1 1 A 85 85 ASP CB C 85 43.011 41.138 1.873 1 1 968 . 16 1 1 A 85 85 ASP N N 85 114.721 118.534 -3.813 1 1 969 . 16 1 1 A 86 86 LEU H H 86 8.475 7.308 1.167 1 1 970 . 16 1 1 A 86 86 LEU HA H 86 3.956 4.510 -0.554 1 1 980 . 16 1 1 A 86 86 LEU CA C 86 54.656 53.526 1.130 1 1 981 . 16 1 1 A 86 86 LEU CB C 86 39.380 41.505 -2.125 1 1 985 . 16 1 1 A 87 87 PRO HA H 87 4.225 4.208 0.017 1 1 992 . 16 1 1 A 87 87 PRO CA C 87 65.046 65.118 -0.072 1 1 993 . 16 1 1 A 87 87 PRO CB C 87 32.264 31.616 0.648 1 1 996 . 16 1 1 A 88 88 PHE H H 88 5.565 8.033 -2.468 1 1 997 . 16 1 1 A 88 88 PHE HA H 88 4.340 4.416 -0.076 1 1 1000 . 16 1 1 A 88 88 PHE CA C 88 57.664 60.744 -3.080 1 1 1001 . 16 1 1 A 88 88 PHE CB C 88 39.344 38.204 1.140 1 1 1002 . 16 1 1 A 88 88 PHE N N 88 110.725 116.872 -6.147 1 1 1003 . 16 1 1 A 89 89 ALA H H 89 7.381 8.341 -0.960 1 1 1004 . 16 1 1 A 89 89 ALA HA H 89 4.239 4.598 -0.359 1 1 1008 . 16 1 1 A 89 89 ALA CA C 89 52.009 52.144 -0.135 1 1 1009 . 16 1 1 A 89 89 ALA CB C 89 19.761 20.775 -1.014 1 1 1010 . 16 1 1 A 89 89 ALA N N 89 114.850 120.240 -5.390 1 1 1011 . 16 1 1 A 90 90 GLN H H 90 7.231 7.961 -0.730 1 1 1012 . 16 1 1 A 90 90 GLN HA H 90 3.695 4.690 -0.995 1 1 1018 . 16 1 1 A 90 90 GLN CA C 90 59.578 55.455 4.123 1 1 1019 . 16 1 1 A 90 90 GLN CB C 90 28.728 30.308 -1.580 1 1 1022 . 16 1 1 A 91 91 ALA H H 91 7.741 7.252 0.489 1 1 1023 . 16 1 1 A 91 91 ALA HA H 91 4.202 4.651 -0.449 1 1 1027 . 16 1 1 A 91 91 ALA CA C 91 54.382 50.692 3.690 1 1 1028 . 16 1 1 A 91 91 ALA CB C 91 18.837 22.683 -3.846 1 1 1029 . 16 1 1 A 91 91 ALA N N 91 118.589 120.779 -2.190 1 1 1030 . 16 1 1 A 92 92 ARG H H 92 7.354 8.274 -0.920 1 1 1031 . 16 1 1 A 92 92 ARG HA H 92 4.588 3.407 1.181 1 1 1038 . 16 1 1 A 92 92 ARG CA C 92 55.476 56.557 -1.081 1 1 1039 . 16 1 1 A 92 92 ARG CB C 92 30.048 27.564 2.484 1 1 1042 . 16 1 1 A 93 93 TRP H H 93 7.767 7.000 0.767 1 1 1043 . 16 1 1 A 93 93 TRP HA H 93 4.881 4.505 0.376 1 1 1050 . 16 1 1 A 93 93 TRP CA C 93 57.534 56.969 0.565 1 1 1051 . 16 1 1 A 93 93 TRP CB C 93 29.501 30.414 -0.913 1 1 1052 . 16 1 1 A 93 93 TRP N N 93 121.927 117.247 4.680 1 1 1054 . 16 1 1 A 94 94 CYS HA H 94 3.901 4.682 -0.781 1 1 1057 . 16 1 1 A 94 94 CYS CA C 94 59.577 58.523 1.054 1 1 1058 . 16 1 1 A 94 94 CYS CB C 94 43.446 43.158 0.288 1 1 1059 . 16 1 1 A 95 95 GLY HA2 H 95 5.122 3.761 1.361 1 1 1060 . 16 1 1 A 95 95 GLY HA3 H 95 3.691 3.764 -0.073 1 1 1061 . 16 1 1 A 95 95 GLY CA C 95 45.511 47.185 -1.674 1 1 1062 . 16 1 1 A 96 96 ALA H H 96 7.504 7.524 -0.020 1 1 1063 . 16 1 1 A 96 96 ALA HA H 96 4.412 4.270 0.142 1 1 1067 . 16 1 1 A 96 96 ALA CA C 96 51.699 52.581 -0.882 1 1 1068 . 16 1 1 A 96 96 ALA CB C 96 21.025 18.263 2.762 1 1 1069 . 16 1 1 A 96 96 ALA N N 96 121.579 124.628 -3.049 1 1 1070 . 16 1 1 A 97 97 ASN H H 97 7.345 8.164 -0.819 1 1 1071 . 16 1 1 A 97 97 ASN HA H 97 4.551 4.744 -0.193 1 1 1076 . 16 1 1 A 97 97 ASN CA C 97 54.929 52.671 2.258 1 1 1077 . 16 1 1 A 97 97 ASN CB C 97 39.071 37.862 1.209 1 1 1079 . 16 1 1 A 98 98 GLY H H 98 8.890 7.833 1.057 1 1 1080 . 16 1 1 A 98 98 GLY HA2 H 98 3.796 4.062 -0.266 1 1 1081 . 16 1 1 A 98 98 GLY HA3 H 98 4.070 4.081 -0.011 1 1 1082 . 16 1 1 A 98 98 GLY C C 98 174.160 174.630 -0.470 1 1 1083 . 16 1 1 A 98 98 GLY CA C 98 45.841 45.318 0.523 1 1 1084 . 16 1 1 A 99 99 ILE H H 99 7.739 7.844 -0.105 1 1 1085 . 16 1 1 A 99 99 ILE HA H 99 4.198 4.240 -0.042 1 1 1095 . 16 1 1 A 99 99 ILE C C 99 175.561 175.795 -0.234 1 1 1096 . 16 1 1 A 99 99 ILE CA C 99 60.671 60.708 -0.037 1 1 1097 . 16 1 1 A 99 99 ILE CB C 99 38.524 36.376 2.148 1 1 1101 . 16 1 1 A 99 99 ILE N N 99 120.780 122.494 -1.714 1 1 1102 . 16 1 1 A 100 100 ASP H H 100 8.372 8.193 0.179 1 1 1103 . 16 1 1 A 100 100 ASP HA H 100 4.426 4.209 0.217 1 1 1106 . 16 1 1 A 100 100 ASP C C 100 176.325 178.156 -1.831 1 1 1107 . 16 1 1 A 100 100 ASP CA C 100 56.023 57.156 -1.133 1 1 1108 . 16 1 1 A 100 100 ASP CB C 100 40.985 40.520 0.465 1 1 1109 . 16 1 1 A 100 100 ASP N N 100 126.194 128.787 -2.593 1 1 1110 . 16 1 1 A 101 101 LYS H H 101 8.081 7.832 0.249 1 1 1111 . 16 1 1 A 101 101 LYS HA H 101 4.052 4.225 -0.173 1 1 1120 . 16 1 1 A 101 101 LYS C C 101 175.874 176.944 -1.070 1 1 1121 . 16 1 1 A 101 101 LYS CA C 101 58.210 57.319 0.891 1 1 1122 . 16 1 1 A 101 101 LYS CB C 101 31.689 32.936 -1.247 1 1 1126 . 16 1 1 A 101 101 LYS N N 101 115.366 116.409 -1.043 1 1 1127 . 16 1 1 A 102 102 VAL H H 102 7.631 7.693 -0.062 1 1 1128 . 16 1 1 A 102 102 VAL HA H 102 4.419 4.183 0.236 1 1 1136 . 16 1 1 A 102 102 VAL C C 102 175.145 175.366 -0.221 1 1 1137 . 16 1 1 A 102 102 VAL CA C 102 61.919 61.827 0.092 1 1 1138 . 16 1 1 A 102 102 VAL CB C 102 32.782 32.651 0.131 1 1 1141 . 16 1 1 A 102 102 VAL N N 102 119.362 119.912 -0.550 1 1 1142 . 16 1 1 A 103 103 GLU H H 103 8.489 8.228 0.261 1 1 1143 . 16 1 1 A 103 103 GLU HA H 103 4.931 4.897 0.034 1 1 1148 . 16 1 1 A 103 103 GLU C C 103 175.943 174.653 1.290 1 1 1149 . 16 1 1 A 103 103 GLU CA C 103 55.140 54.669 0.471 1 1 1150 . 16 1 1 A 103 103 GLU CB C 103 33.329 33.503 -0.174 1 1 1152 . 16 1 1 A 103 103 GLU N N 103 126.581 125.351 1.230 1 1 1153 . 16 1 1 A 104 104 THR H H 104 8.690 8.307 0.383 1 1 1154 . 16 1 1 A 104 104 THR HA H 104 5.292 5.062 0.230 1 1 1159 . 16 1 1 A 104 104 THR C C 104 173.165 173.840 -0.675 1 1 1160 . 16 1 1 A 104 104 THR CA C 104 58.757 61.901 -3.144 1 1 1161 . 16 1 1 A 104 104 THR CB C 104 69.967 70.273 -0.306 1 1 1163 . 16 1 1 A 104 104 THR N N 104 114.979 122.318 -7.339 1 1 1164 . 16 1 1 A 105 105 LEU H H 105 8.635 9.272 -0.637 1 1 1165 . 16 1 1 A 105 105 LEU HA H 105 4.979 5.059 -0.080 1 1 1175 . 16 1 1 A 105 105 LEU C C 105 176.985 176.135 0.850 1 1 1176 . 16 1 1 A 105 105 LEU CA C 105 52.849 53.286 -0.437 1 1 1177 . 16 1 1 A 105 105 LEU CB C 105 45.633 45.852 -0.219 1 1 1181 . 16 1 1 A 105 105 LEU N N 105 119.233 125.945 -6.712 1 1 1182 . 16 1 1 A 106 106 SER H H 106 9.670 9.203 0.467 1 1 1183 . 16 1 1 A 106 106 SER HA H 106 5.485 5.128 0.357 1 1 1186 . 16 1 1 A 106 106 SER C C 106 176.256 174.835 1.421 1 1 1187 . 16 1 1 A 106 106 SER CA C 106 56.570 56.875 -0.305 1 1 1188 . 16 1 1 A 106 106 SER CB C 106 65.593 63.813 1.780 1 1 1189 . 16 1 1 A 106 106 SER N N 106 114.979 118.984 -4.005 1 1 1190 . 16 1 1 A 107 107 ASP H H 107 8.764 8.071 0.693 1 1 1191 . 16 1 1 A 107 107 ASP HA H 107 5.517 4.226 1.291 1 1 1194 . 16 1 1 A 107 107 ASP CA C 107 52.753 57.033 -4.280 1 1 1195 . 16 1 1 A 107 107 ASP CB C 107 45.086 41.161 3.925 1 1 1196 . 16 1 1 A 107 107 ASP N N 107 132.898 122.970 9.928 1 1 1197 . 16 1 1 A 108 108 HIS H H 108 7.940 8.344 -0.404 1 1 1198 . 16 1 1 A 108 108 HIS HA H 108 4.075 4.145 -0.070 1 1 1200 . 16 1 1 A 108 108 HIS CA C 108 59.577 59.624 -0.047 1 1 1201 . 16 1 1 A 108 108 HIS CB C 108 29.861 30.131 -0.270 1 1 1202 . 16 1 1 A 108 108 HIS N N 108 116.397 119.284 -2.887 1 1 1203 . 16 1 1 A 109 109 ARG HA H 109 4.214 4.141 0.073 1 1 1206 . 16 1 1 A 109 109 ARG CA C 109 59.031 57.656 1.375 1 1 1207 . 16 1 1 A 109 109 ARG CB C 109 27.861 29.953 -2.092 1 1 1208 . 16 1 1 A 110 110 ASP HA H 110 4.867 4.899 -0.032 1 1 1211 . 16 1 1 A 110 110 ASP C C 110 175.735 176.054 -0.319 1 1 1212 . 16 1 1 A 110 110 ASP CA C 110 53.708 55.422 -1.714 1 1 1213 . 16 1 1 A 110 110 ASP CB C 110 43.875 43.529 0.346 1 1 1214 . 16 1 1 A 111 111 MET H H 111 7.899 8.503 -0.604 1 1 1215 . 16 1 1 A 111 111 MET HA H 111 4.503 4.154 0.349 1 1 1221 . 16 1 1 A 111 111 MET C C 111 177.332 175.718 1.614 1 1 1222 . 16 1 1 A 111 111 MET CA C 111 56.570 57.288 -0.718 1 1 1223 . 16 1 1 A 111 111 MET CB C 111 30.868 30.427 0.441 1 1 1226 . 16 1 1 A 111 111 MET N N 111 116.397 117.616 -1.219 1 1 1227 . 16 1 1 A 112 112 SER H H 112 7.931 8.049 -0.118 1 1 1228 . 16 1 1 A 112 112 SER HA H 112 4.248 3.971 0.277 1 1 1231 . 16 1 1 A 112 112 SER C C 112 179.173 175.789 3.384 1 1 1232 . 16 1 1 A 112 112 SER CA C 112 60.945 62.292 -1.347 1 1 1233 . 16 1 1 A 112 112 SER CB C 112 64.499 63.210 1.289 1 1 1234 . 16 1 1 A 112 112 SER N N 112 113.561 116.283 -2.722 1 1 1235 . 16 1 1 A 113 113 PHE H H 113 10.125 8.094 2.031 1 1 1236 . 16 1 1 A 113 113 PHE HA H 113 3.593 4.266 -0.673 1 1 1241 . 16 1 1 A 113 113 PHE C C 113 177.437 177.908 -0.471 1 1 1242 . 16 1 1 A 113 113 PHE CA C 113 62.312 61.535 0.777 1 1 1243 . 16 1 1 A 113 113 PHE CB C 113 37.704 38.753 -1.049 1 1 1244 . 16 1 1 A 113 113 PHE N N 113 125.550 122.627 2.923 1 1 1245 . 16 1 1 A 114 114 GLY H H 114 10.707 8.226 2.481 1 1 1246 . 16 1 1 A 114 114 GLY HA2 H 114 3.396 3.675 -0.279 1 1 1247 . 16 1 1 A 114 114 GLY HA3 H 114 3.218 3.758 -0.540 1 1 1248 . 16 1 1 A 114 114 GLY C C 114 175.735 175.562 0.173 1 1 1249 . 16 1 1 A 114 114 GLY CA C 114 48.641 47.365 1.276 1 1 1250 . 16 1 1 A 114 114 GLY N N 114 109.178 104.759 4.419 1 1 1251 . 16 1 1 A 115 115 GLU H H 115 8.251 8.445 -0.194 1 1 1252 . 16 1 1 A 115 115 GLU HA H 115 4.431 4.098 0.333 1 1 1257 . 16 1 1 A 115 115 GLU C C 115 178.756 178.430 0.326 1 1 1258 . 16 1 1 A 115 115 GLU CA C 115 59.031 59.136 -0.105 1 1 1259 . 16 1 1 A 115 115 GLU CB C 115 29.775 29.238 0.537 1 1 1261 . 16 1 1 A 115 115 GLU N N 115 120.522 121.522 -1.000 1 1 1262 . 16 1 1 A 116 116 ALA H H 116 7.895 7.976 -0.081 1 1 1263 . 16 1 1 A 116 116 ALA HA H 116 4.111 4.031 0.080 1 1 1267 . 16 1 1 A 116 116 ALA C C 116 177.610 179.550 -1.940 1 1 1268 . 16 1 1 A 116 116 ALA CA C 116 55.476 55.001 0.475 1 1 1269 . 16 1 1 A 116 116 ALA CB C 116 18.838 18.324 0.514 1 1 1270 . 16 1 1 A 116 116 ALA N N 116 123.100 122.018 1.082 1 1 1271 . 16 1 1 A 117 117 PHE H H 117 8.161 7.845 0.316 1 1 1272 . 16 1 1 A 117 117 PHE HA H 117 4.262 4.343 -0.081 1 1 1277 . 16 1 1 A 117 117 PHE C C 117 175.353 175.762 -0.409 1 1 1278 . 16 1 1 A 117 117 PHE CA C 117 56.843 57.626 -0.783 1 1 1279 . 16 1 1 A 117 117 PHE CB C 117 38.251 38.641 -0.390 1 1 1280 . 16 1 1 A 117 117 PHE N N 117 113.432 113.283 0.149 1 1 1281 . 16 1 1 A 118 118 GLY H H 118 7.685 7.748 -0.063 1 1 1282 . 16 1 1 A 118 118 GLY HA2 H 118 3.544 4.014 -0.470 1 1 1283 . 16 1 1 A 118 118 GLY HA3 H 118 4.362 4.040 0.322 1 1 1284 . 16 1 1 A 118 118 GLY C C 118 174.901 175.482 -0.581 1 1 1285 . 16 1 1 A 118 118 GLY CA C 118 47.274 46.793 0.481 1 1 1286 . 16 1 1 A 118 118 GLY N N 118 112.143 108.207 3.936 1 1 1287 . 16 1 1 A 119 119 VAL H H 119 8.380 8.309 0.071 1 1 1288 . 16 1 1 A 119 119 VAL HA H 119 4.788 4.744 0.044 1 1 1296 . 16 1 1 A 119 119 VAL C C 119 174.901 175.530 -0.629 1 1 1297 . 16 1 1 A 119 119 VAL CA C 119 59.532 61.199 -1.667 1 1 1298 . 16 1 1 A 119 119 VAL CB C 119 32.509 32.602 -0.093 1 1 1301 . 16 1 1 A 119 119 VAL N N 119 102.475 117.028 -14.553 1 1 1302 . 16 1 1 A 120 120 TYR H H 120 6.841 7.568 -0.727 1 1 1303 . 16 1 1 A 120 120 TYR HA H 120 4.484 4.789 -0.305 1 1 1308 . 16 1 1 A 120 120 TYR C C 120 173.443 175.308 -1.865 1 1 1309 . 16 1 1 A 120 120 TYR CA C 120 54.929 57.050 -2.121 1 1 1310 . 16 1 1 A 120 120 TYR CB C 120 37.704 38.620 -0.916 1 1 1311 . 16 1 1 A 120 120 TYR N N 120 124.518 124.483 0.035 1 1 1312 . 16 1 1 A 121 121 ILE H H 121 9.244 9.141 0.103 1 1 1313 . 16 1 1 A 121 121 ILE HA H 121 4.419 3.959 0.460 1 1 1323 . 16 1 1 A 121 121 ILE C C 121 176.221 176.585 -0.364 1 1 1324 . 16 1 1 A 121 121 ILE CA C 121 62.014 62.125 -0.111 1 1 1325 . 16 1 1 A 121 121 ILE CB C 121 37.704 36.878 0.826 1 1 1329 . 16 1 1 A 121 121 ILE N N 121 128.772 127.990 0.782 1 1 1330 . 16 1 1 A 122 122 LYS H H 122 9.328 8.770 0.558 1 1 1331 . 16 1 1 A 122 122 LYS HA H 122 3.588 3.600 -0.012 1 1 1340 . 16 1 1 A 122 122 LYS C C 122 179.069 177.820 1.249 1 1 1341 . 16 1 1 A 122 122 LYS CA C 122 60.124 59.534 0.590 1 1 1342 . 16 1 1 A 122 122 LYS CB C 122 33.329 32.357 0.972 1 1 1346 . 16 1 1 A 122 122 LYS N N 122 134.955 129.613 5.342 1 1 1347 . 16 1 1 A 123 123 GLU H H 123 10.228 7.655 2.573 1 1 1348 . 16 1 1 A 123 123 GLU HA H 123 3.919 4.218 -0.299 1 1 1353 . 16 1 1 A 123 123 GLU C C 123 176.638 176.441 0.197 1 1 1354 . 16 1 1 A 123 123 GLU CA C 123 61.218 57.085 4.133 1 1 1355 . 16 1 1 A 123 123 GLU CB C 123 29.228 29.757 -0.529 1 1 1357 . 16 1 1 A 123 123 GLU N N 123 115.624 116.765 -1.141 1 1 1358 . 16 1 1 A 124 124 LEU H H 124 6.480 7.308 -0.828 1 1 1359 . 16 1 1 A 124 124 LEU HA H 124 4.464 4.478 -0.014 1 1 1369 . 16 1 1 A 124 124 LEU C C 124 175.403 176.736 -1.333 1 1 1370 . 16 1 1 A 124 124 LEU CA C 124 53.562 53.875 -0.313 1 1 1371 . 16 1 1 A 124 124 LEU CB C 124 44.813 43.627 1.186 1 1 1375 . 16 1 1 A 124 124 LEU N N 124 110.434 120.419 -9.985 1 1 1376 . 16 1 1 A 125 125 ARG H H 125 8.701 7.753 0.948 1 1 1377 . 16 1 1 A 125 125 ARG HA H 125 3.783 3.724 0.059 1 1 1380 . 16 1 1 A 125 125 ARG C C 125 173.029 175.035 -2.006 1 1 1381 . 16 1 1 A 125 125 ARG CA C 125 57.664 56.947 0.717 1 1 1382 . 16 1 1 A 125 125 ARG CB C 125 30.965 28.081 2.884 1 1 1383 . 16 1 1 A 125 125 ARG N N 125 121.940 119.376 2.564 1 1 1384 . 16 1 1 A 126 126 LEU H H 126 6.671 7.429 -0.758 1 1 1385 . 16 1 1 A 126 126 LEU HA H 126 4.621 4.947 -0.326 1 1 1395 . 16 1 1 A 126 126 LEU C C 126 174.203 176.293 -2.090 1 1 1396 . 16 1 1 A 126 126 LEU CA C 126 51.922 53.400 -1.478 1 1 1397 . 16 1 1 A 126 126 LEU CB C 126 46.727 46.001 0.726 1 1 1401 . 16 1 1 A 126 126 LEU N N 126 111.885 120.517 -8.632 1 1 1402 . 16 1 1 A 127 127 LEU H H 127 8.447 8.839 -0.392 1 1 1403 . 16 1 1 A 127 127 LEU HA H 127 5.153 4.611 0.542 1 1 1413 . 16 1 1 A 127 127 LEU C C 127 175.145 177.804 -2.659 1 1 1414 . 16 1 1 A 127 127 LEU CA C 127 52.742 55.077 -2.335 1 1 1415 . 16 1 1 A 127 127 LEU CB C 127 43.172 42.190 0.982 1 1 1419 . 16 1 1 A 127 127 LEU N N 127 118.983 121.627 -2.644 1 1 1420 . 16 1 1 A 128 128 ALA H H 128 9.160 8.931 0.229 1 1 1421 . 16 1 1 A 128 128 ALA HA H 128 3.843 4.550 -0.707 1 1 1425 . 16 1 1 A 128 128 ALA C C 128 176.603 177.162 -0.559 1 1 1426 . 16 1 1 A 128 128 ALA CA C 128 52.469 52.402 0.067 1 1 1427 . 16 1 1 A 128 128 ALA CB C 128 18.291 19.455 -1.164 1 1 1428 . 16 1 1 A 128 128 ALA N N 128 121.682 126.964 -5.282 1 1 1429 . 16 1 1 A 129 129 ARG H H 129 6.254 8.710 -2.456 1 1 1430 . 16 1 1 A 129 129 ARG HA H 129 4.700 4.917 -0.217 1 1 1436 . 16 1 1 A 129 129 ARG C C 129 176.534 175.636 0.898 1 1 1437 . 16 1 1 A 129 129 ARG CA C 129 55.651 55.603 0.048 1 1 1438 . 16 1 1 A 129 129 ARG CB C 129 29.775 30.849 -1.074 1 1 1441 . 16 1 1 A 129 129 ARG N N 129 120.393 122.559 -2.166 1 1 1442 . 16 1 1 A 130 130 SER H H 130 8.398 8.813 -0.415 1 1 1443 . 16 1 1 A 130 130 SER HA H 130 4.767 5.045 -0.278 1 1 1446 . 16 1 1 A 130 130 SER C C 130 172.957 172.229 0.728 1 1 1447 . 16 1 1 A 130 130 SER CA C 130 57.658 57.432 0.226 1 1 1448 . 16 1 1 A 130 130 SER CB C 130 63.679 66.221 -2.542 1 1 1449 . 16 1 1 A 130 130 SER N N 130 120.264 119.481 0.783 1 1 1450 . 16 1 1 A 131 131 VAL H H 131 7.838 7.995 -0.157 1 1 1451 . 16 1 1 A 131 131 VAL HA H 131 5.086 5.034 0.052 1 1 1459 . 16 1 1 A 131 131 VAL C C 131 172.853 174.383 -1.530 1 1 1460 . 16 1 1 A 131 131 VAL CA C 131 60.746 60.619 0.127 1 1 1461 . 16 1 1 A 131 131 VAL CB C 131 36.610 35.976 0.634 1 1 1464 . 16 1 1 A 131 131 VAL N N 131 118.460 119.651 -1.191 1 1 1465 . 16 1 1 A 132 132 PHE H H 132 9.259 9.470 -0.211 1 1 1466 . 16 1 1 A 132 132 PHE HA H 132 5.583 5.518 0.065 1 1 1470 . 16 1 1 A 132 132 PHE C C 132 174.797 174.977 -0.180 1 1 1471 . 16 1 1 A 132 132 PHE CA C 132 56.296 56.215 0.081 1 1 1472 . 16 1 1 A 132 132 PHE CB C 132 44.539 43.967 0.572 1 1 1473 . 16 1 1 A 132 132 PHE N N 132 121.682 124.923 -3.241 1 1 1474 . 16 1 1 A 133 133 VAL H H 133 8.907 8.833 0.074 1 1 1475 . 16 1 1 A 133 133 VAL HA H 133 5.331 5.114 0.217 1 1 1483 . 16 1 1 A 133 133 VAL C C 133 174.450 175.320 -0.870 1 1 1484 . 16 1 1 A 133 133 VAL CA C 133 61.491 60.818 0.673 1 1 1485 . 16 1 1 A 133 133 VAL CB C 133 34.696 36.062 -1.366 1 1 1488 . 16 1 1 A 133 133 VAL N N 133 119.878 120.237 -0.359 1 1 1489 . 16 1 1 A 134 134 LEU H H 134 9.976 9.269 0.707 1 1 1490 . 16 1 1 A 134 134 LEU HA H 134 5.680 5.359 0.321 1 1 1500 . 16 1 1 A 134 134 LEU C C 134 176.777 176.635 0.142 1 1 1501 . 16 1 1 A 134 134 LEU CA C 134 52.195 53.209 -1.014 1 1 1502 . 16 1 1 A 134 134 LEU CB C 134 44.813 45.585 -0.772 1 1 1506 . 16 1 1 A 134 134 LEU N N 134 129.417 126.341 3.076 1 1 1507 . 16 1 1 A 135 135 ASP H H 135 9.051 9.057 -0.006 1 1 1508 . 16 1 1 A 135 135 ASP HA H 135 4.708 4.792 -0.084 1 1 1511 . 16 1 1 A 135 135 ASP C C 135 177.193 177.500 -0.307 1 1 1512 . 16 1 1 A 135 135 ASP CA C 135 52.276 53.028 -0.752 1 1 1513 . 16 1 1 A 135 135 ASP CB C 135 40.711 41.381 -0.670 1 1 1514 . 16 1 1 A 135 135 ASP N N 135 119.362 123.252 -3.890 1 1 1515 . 16 1 1 A 136 136 GLU H H 136 9.970 8.750 1.220 1 1 1516 . 16 1 1 A 136 136 GLU HA H 136 3.953 4.111 -0.158 1 1 1521 . 16 1 1 A 136 136 GLU C C 136 177.055 177.038 0.017 1 1 1522 . 16 1 1 A 136 136 GLU CA C 136 58.757 58.943 -0.186 1 1 1523 . 16 1 1 A 136 136 GLU CB C 136 28.681 29.265 -0.584 1 1 1525 . 16 1 1 A 136 136 GLU N N 136 116.011 118.585 -2.574 1 1 1526 . 16 1 1 A 137 137 ASN H H 137 8.514 8.060 0.454 1 1 1527 . 16 1 1 A 137 137 ASN HA H 137 5.026 4.903 0.123 1 1 1532 . 16 1 1 A 137 137 ASN C C 137 175.943 176.162 -0.219 1 1 1533 . 16 1 1 A 137 137 ASN CA C 137 52.753 52.050 0.703 1 1 1534 . 16 1 1 A 137 137 ASN CB C 137 40.164 39.096 1.068 1 1 1535 . 16 1 1 A 137 137 ASN N N 137 117.042 114.144 2.898 1 1 1537 . 16 1 1 A 138 138 GLY H H 138 8.430 8.277 0.153 1 1 1538 . 16 1 1 A 138 138 GLY HA2 H 138 3.690 4.008 -0.318 1 1 1539 . 16 1 1 A 138 138 GLY HA3 H 138 4.213 4.027 0.186 1 1 1540 . 16 1 1 A 138 138 GLY C C 138 172.436 174.398 -1.962 1 1 1541 . 16 1 1 A 138 138 GLY CA C 138 46.180 45.149 1.031 1 1 1542 . 16 1 1 A 138 138 GLY N N 138 109.565 108.899 0.666 1 1 1543 . 16 1 1 A 139 139 LYS H H 139 8.573 8.274 0.299 1 1 1544 . 16 1 1 A 139 139 LYS HA H 139 4.472 4.262 0.210 1 1 1553 . 16 1 1 A 139 139 LYS C C 139 176.742 175.754 0.988 1 1 1554 . 16 1 1 A 139 139 LYS CA C 139 56.195 56.536 -0.341 1 1 1555 . 16 1 1 A 139 139 LYS CB C 139 32.782 32.779 0.003 1 1 1559 . 16 1 1 A 139 139 LYS N N 139 123.358 122.403 0.955 1 1 1560 . 16 1 1 A 140 140 VAL H H 140 9.102 8.554 0.548 1 1 1561 . 16 1 1 A 140 140 VAL HA H 140 4.293 4.559 -0.266 1 1 1569 . 16 1 1 A 140 140 VAL C C 140 177.124 176.512 0.612 1 1 1570 . 16 1 1 A 140 140 VAL CA C 140 63.952 62.596 1.356 1 1 1571 . 16 1 1 A 140 140 VAL CB C 140 31.142 31.997 -0.855 1 1 1574 . 16 1 1 A 140 140 VAL N N 140 125.292 124.799 0.493 1 1 1575 . 16 1 1 A 141 141 VAL H H 141 9.332 9.079 0.253 1 1 1576 . 16 1 1 A 141 141 VAL HA H 141 4.670 4.258 0.412 1 1 1584 . 16 1 1 A 141 141 VAL C C 141 175.249 175.084 0.165 1 1 1585 . 16 1 1 A 141 141 VAL CA C 141 61.491 63.997 -2.506 1 1 1586 . 16 1 1 A 141 141 VAL CB C 141 32.509 32.728 -0.219 1 1 1589 . 16 1 1 A 141 141 VAL N N 141 124.261 124.636 -0.375 1 1 1590 . 16 1 1 A 142 142 TYR H H 142 7.959 7.437 0.522 1 1 1591 . 16 1 1 A 142 142 TYR HA H 142 4.389 4.787 -0.398 1 1 1596 . 16 1 1 A 142 142 TYR C C 142 172.262 173.569 -1.307 1 1 1597 . 16 1 1 A 142 142 TYR CA C 142 58.757 58.112 0.645 1 1 1598 . 16 1 1 A 142 142 TYR CB C 142 41.805 41.589 0.216 1 1 1599 . 16 1 1 A 142 142 TYR N N 142 122.198 120.622 1.576 1 1 1600 . 16 1 1 A 143 143 ALA H H 143 7.642 7.890 -0.248 1 1 1601 . 16 1 1 A 143 143 ALA HA H 143 4.883 4.991 -0.108 1 1 1605 . 16 1 1 A 143 143 ALA C C 143 175.353 175.110 0.243 1 1 1606 . 16 1 1 A 143 143 ALA CA C 143 51.703 51.458 0.245 1 1 1607 . 16 1 1 A 143 143 ALA CB C 143 22.666 22.583 0.083 1 1 1608 . 16 1 1 A 143 143 ALA N N 143 129.804 128.298 1.506 1 1 1609 . 16 1 1 A 144 144 GLU H H 144 8.292 8.604 -0.312 1 1 1610 . 16 1 1 A 144 144 GLU HA H 144 4.297 4.802 -0.505 1 1 1615 . 16 1 1 A 144 144 GLU C C 144 173.860 174.073 -0.213 1 1 1616 . 16 1 1 A 144 144 GLU CA C 144 56.296 55.219 1.077 1 1 1617 . 16 1 1 A 144 144 GLU CB C 144 32.509 33.625 -1.116 1 1 1619 . 16 1 1 A 144 144 GLU N N 144 122.198 121.758 0.440 1 1 1620 . 16 1 1 A 145 145 TYR H H 145 9.006 9.127 -0.121 1 1 1621 . 16 1 1 A 145 145 TYR HA H 145 4.125 5.158 -1.033 1 1 1626 . 16 1 1 A 145 145 TYR C C 145 175.164 175.211 -0.047 1 1 1627 . 16 1 1 A 145 145 TYR CA C 145 57.117 56.689 0.428 1 1 1628 . 16 1 1 A 145 145 TYR CB C 145 38.251 40.134 -1.883 1 1 1629 . 16 1 1 A 145 145 TYR N N 145 128.128 123.983 4.145 1 1 1630 . 16 1 1 A 146 146 VAL H H 146 7.441 8.791 -1.350 1 1 1631 . 16 1 1 A 146 146 VAL HA H 146 3.672 4.040 -0.368 1 1 1639 . 16 1 1 A 146 146 VAL C C 146 176.777 176.635 0.142 1 1 1640 . 16 1 1 A 146 146 VAL CA C 146 64.226 63.575 0.651 1 1 1641 . 16 1 1 A 146 146 VAL CB C 146 30.868 31.867 -0.999 1 1 1644 . 16 1 1 A 146 146 VAL N N 146 125.808 126.003 -0.195 1 1 1645 . 16 1 1 A 147 147 SER H H 147 8.359 8.575 -0.216 1 1 1646 . 16 1 1 A 147 147 SER HA H 147 4.007 4.321 -0.314 1 1 1649 . 16 1 1 A 147 147 SER C C 147 172.123 174.502 -2.379 1 1 1650 . 16 1 1 A 147 147 SER CA C 147 63.132 60.950 2.182 1 1 1651 . 16 1 1 A 147 147 SER CB C 147 62.859 63.150 -0.291 1 1 1652 . 16 1 1 A 147 147 SER N N 147 121.425 119.953 1.472 1 1 1653 . 16 1 1 A 148 148 GLU H H 148 7.177 7.914 -0.737 1 1 1654 . 16 1 1 A 148 148 GLU HA H 148 5.055 4.921 0.134 1 1 1659 . 16 1 1 A 148 148 GLU C C 148 176.082 176.623 -0.541 1 1 1660 . 16 1 1 A 148 148 GLU CA C 148 52.563 55.295 -2.732 1 1 1661 . 16 1 1 A 148 148 GLU CB C 148 29.774 32.285 -2.511 1 1 1663 . 16 1 1 A 148 148 GLU N N 148 119.620 120.285 -0.665 1 1 1664 . 16 1 1 A 149 149 ALA H H 149 9.142 9.254 -0.112 1 1 1665 . 16 1 1 A 149 149 ALA HA H 149 4.704 3.865 0.839 1 1 1669 . 16 1 1 A 149 149 ALA C C 149 177.437 178.591 -1.154 1 1 1670 . 16 1 1 A 149 149 ALA CA C 149 54.466 55.021 -0.555 1 1 1671 . 16 1 1 A 149 149 ALA CB C 149 19.111 17.854 1.257 1 1 1672 . 16 1 1 A 149 149 ALA N N 149 127.741 129.490 -1.749 1 1 1673 . 16 1 1 A 150 150 THR H H 150 8.200 7.177 1.023 1 1 1674 . 16 1 1 A 150 150 THR HA H 150 4.393 4.183 0.210 1 1 1679 . 16 1 1 A 150 150 THR C C 150 174.554 174.367 0.187 1 1 1680 . 16 1 1 A 150 150 THR CA C 150 62.312 62.152 0.160 1 1 1681 . 16 1 1 A 150 150 THR CB C 150 69.694 69.500 0.194 1 1 1683 . 16 1 1 A 150 150 THR N N 150 104.453 107.065 -2.612 1 1 1684 . 16 1 1 A 151 151 ASN H H 151 7.984 7.659 0.325 1 1 1685 . 16 1 1 A 151 151 ASN HA H 151 4.947 4.881 0.066 1 1 1690 . 16 1 1 A 151 151 ASN C C 151 174.554 174.404 0.150 1 1 1691 . 16 1 1 A 151 151 ASN CA C 151 51.135 51.380 -0.245 1 1 1692 . 16 1 1 A 151 151 ASN CB C 151 39.344 40.388 -1.044 1 1 1693 . 16 1 1 A 151 151 ASN N N 151 123.487 121.700 1.787 1 1 1695 . 16 1 1 A 152 152 HIS H H 152 8.160 8.508 -0.348 1 1 1696 . 16 1 1 A 152 152 HIS HA H 152 4.731 5.376 -0.645 1 1 1700 . 16 1 1 A 152 152 HIS C C 152 174.381 173.377 1.004 1 1 1701 . 16 1 1 A 152 152 HIS CA C 152 54.854 53.216 1.638 1 1 1702 . 16 1 1 A 152 152 HIS CB C 152 31.415 32.543 -1.128 1 1 1703 . 16 1 1 A 152 152 HIS N N 152 116.139 116.316 -0.177 1 1 1704 . 16 1 1 A 153 153 PRO HA H 153 4.335 4.529 -0.194 1 1 1709 . 16 1 1 A 153 153 PRO C C 153 173.894 176.259 -2.365 1 1 1710 . 16 1 1 A 153 153 PRO CA C 153 61.491 62.193 -0.702 1 1 1711 . 16 1 1 A 153 153 PRO CB C 153 32.782 32.773 0.009 1 1 1714 . 16 1 1 A 154 154 ASN H H 154 9.511 8.615 0.896 1 1 1715 . 16 1 1 A 154 154 ASN HA H 154 4.306 4.757 -0.451 1 1 1720 . 16 1 1 A 154 154 ASN C C 154 176.568 176.986 -0.418 1 1 1721 . 16 1 1 A 154 154 ASN CA C 154 54.656 52.991 1.665 1 1 1722 . 16 1 1 A 154 154 ASN CB C 154 39.071 39.799 -0.728 1 1 1723 . 16 1 1 A 154 154 ASN N N 154 118.718 119.600 -0.882 1 1 1725 . 16 1 1 A 155 155 TYR H H 155 8.691 8.740 -0.049 1 1 1726 . 16 1 1 A 155 155 TYR HA H 155 4.364 4.238 0.126 1 1 1731 . 16 1 1 A 155 155 TYR C C 155 176.256 175.986 0.270 1 1 1732 . 16 1 1 A 155 155 TYR CA C 155 59.304 58.817 0.487 1 1 1733 . 16 1 1 A 155 155 TYR CB C 155 39.344 38.277 1.067 1 1 1734 . 16 1 1 A 155 155 TYR N N 155 125.421 125.129 0.292 1 1 1735 . 16 1 1 A 156 156 GLU H H 156 8.200 7.730 0.470 1 1 1736 . 16 1 1 A 156 156 GLU HA H 156 4.415 4.078 0.337 1 1 1741 . 16 1 1 A 156 156 GLU C C 156 178.583 178.121 0.462 1 1 1742 . 16 1 1 A 156 156 GLU CA C 156 58.757 56.944 1.813 1 1 1743 . 16 1 1 A 156 156 GLU CB C 156 30.868 30.278 0.590 1 1 1745 . 16 1 1 A 156 156 GLU N N 156 119.878 120.484 -0.606 1 1 1746 . 16 1 1 A 157 157 LYS H H 157 8.718 7.967 0.751 1 1 1747 . 16 1 1 A 157 157 LYS HA H 157 4.095 3.945 0.150 1 1 1756 . 16 1 1 A 157 157 LYS C C 157 176.152 175.257 0.895 1 1 1757 . 16 1 1 A 157 157 LYS CA C 157 60.398 61.123 -0.725 1 1 1758 . 16 1 1 A 157 157 LYS CB C 157 30.595 30.878 -0.283 1 1 1762 . 16 1 1 A 157 157 LYS N N 157 121.167 120.464 0.703 1 1 1763 . 16 1 1 A 158 158 PRO HA H 158 3.116 3.589 -0.473 1 1 1770 . 16 1 1 A 158 158 PRO C C 158 177.853 179.338 -1.485 1 1 1771 . 16 1 1 A 158 158 PRO CA C 158 65.319 64.796 0.523 1 1 1772 . 16 1 1 A 158 158 PRO CB C 158 30.595 30.272 0.323 1 1 1775 . 16 1 1 A 159 159 ILE H H 159 6.215 7.294 -1.079 1 1 1776 . 16 1 1 A 159 159 ILE HA H 159 3.594 3.875 -0.281 1 1 1786 . 16 1 1 A 159 159 ILE C C 159 177.610 177.694 -0.084 1 1 1787 . 16 1 1 A 159 159 ILE CA C 159 62.312 64.309 -1.997 1 1 1788 . 16 1 1 A 159 159 ILE CB C 159 35.516 37.925 -2.409 1 1 1792 . 16 1 1 A 159 159 ILE N N 159 113.948 116.400 -2.452 1 1 1793 . 16 1 1 A 160 160 GLU H H 160 7.572 8.781 -1.209 1 1 1794 . 16 1 1 A 160 160 GLU HA H 160 3.876 4.005 -0.129 1 1 1799 . 16 1 1 A 160 160 GLU C C 160 179.277 178.754 0.523 1 1 1800 . 16 1 1 A 160 160 GLU CA C 160 59.304 59.182 0.122 1 1 1801 . 16 1 1 A 160 160 GLU CB C 160 29.774 28.780 0.994 1 1 1803 . 16 1 1 A 160 160 GLU N N 160 119.104 119.904 -0.800 1 1 1804 . 16 1 1 A 161 161 ALA H H 161 7.902 7.686 0.216 1 1 1805 . 16 1 1 A 161 161 ALA HA H 161 4.137 4.185 -0.048 1 1 1809 . 16 1 1 A 161 161 ALA C C 161 179.485 180.103 -0.618 1 1 1810 . 16 1 1 A 161 161 ALA CA C 161 54.656 54.985 -0.329 1 1 1811 . 16 1 1 A 161 161 ALA CB C 161 18.017 18.049 -0.032 1 1 1812 . 16 1 1 A 161 161 ALA N N 161 120.393 122.912 -2.519 1 1 1813 . 16 1 1 A 162 162 ALA H H 162 7.734 7.778 -0.044 1 1 1814 . 16 1 1 A 162 162 ALA HA H 162 3.950 4.094 -0.144 1 1 1818 . 16 1 1 A 162 162 ALA C C 162 179.485 179.829 -0.344 1 1 1819 . 16 1 1 A 162 162 ALA CA C 162 54.656 55.185 -0.529 1 1 1820 . 16 1 1 A 162 162 ALA CB C 162 19.111 18.139 0.972 1 1 1821 . 16 1 1 A 162 162 ALA N N 162 118.202 121.058 -2.856 1 1 1822 . 16 1 1 A 163 163 LYS H H 163 8.760 8.544 0.216 1 1 1823 . 16 1 1 A 163 163 LYS HA H 163 3.842 4.030 -0.188 1 1 1832 . 16 1 1 A 163 163 LYS C C 163 178.201 179.556 -1.355 1 1 1833 . 16 1 1 A 163 163 LYS CA C 163 59.578 59.279 0.299 1 1 1834 . 16 1 1 A 163 163 LYS CB C 163 32.782 32.185 0.597 1 1 1838 . 16 1 1 A 163 163 LYS N N 163 118.202 117.047 1.155 1 1 1839 . 16 1 1 A 164 164 ALA H H 164 7.216 8.308 -1.092 1 1 1840 . 16 1 1 A 164 164 ALA HA H 164 4.215 4.079 0.136 1 1 1844 . 16 1 1 A 164 164 ALA C C 164 178.339 179.363 -1.024 1 1 1845 . 16 1 1 A 164 164 ALA CA C 164 53.836 54.703 -0.867 1 1 1846 . 16 1 1 A 164 164 ALA CB C 164 18.291 18.730 -0.439 1 1 1847 . 16 1 1 A 164 164 ALA N N 164 117.557 120.902 -3.345 1 1 1848 . 16 1 1 A 165 165 LEU H H 165 7.503 7.618 -0.115 1 1 1849 . 16 1 1 A 165 165 LEU HA H 165 4.432 4.258 0.174 1 1 1859 . 16 1 1 A 165 165 LEU C C 165 177.714 178.642 -0.928 1 1 1860 . 16 1 1 A 165 165 LEU CA C 165 54.929 57.002 -2.073 1 1 1861 . 16 1 1 A 165 165 LEU CB C 165 44.256 42.883 1.373 1 1 1865 . 16 1 1 A 165 165 LEU N N 165 115.753 118.361 -2.608 1 1 1866 . 16 1 1 A 166 166 VAL H H 166 7.337 8.189 -0.852 1 1 1867 . 16 1 1 A 166 166 VAL HA H 166 4.103 3.648 0.455 1 1 1875 . 16 1 1 A 166 166 VAL C C 166 175.040 178.060 -3.020 1 1 1876 . 16 1 1 A 166 166 VAL CA C 166 62.859 66.701 -3.842 1 1 1877 . 16 1 1 A 166 166 VAL CB C 166 32.509 31.650 0.859 1 1 1880 . 16 1 1 A 166 166 VAL N N 166 118.589 118.200 0.389 1 1 1 . 17 1 1 A 2 2 ALA HA H 2 3.876 4.233 -0.357 1 1 5 . 17 1 1 A 2 2 ALA C C 2 172.590 176.853 -4.263 1 1 6 . 17 1 1 A 2 2 ALA CA C 2 51.922 52.201 -0.279 1 1 7 . 17 1 1 A 2 2 ALA CB C 2 18.924 19.131 -0.207 1 1 8 . 17 1 1 A 3 3 GLU H H 3 8.262 8.589 -0.327 1 1 9 . 17 1 1 A 3 3 GLU HA H 3 4.641 4.878 -0.237 1 1 14 . 17 1 1 A 3 3 GLU C C 3 175.157 174.567 0.590 1 1 15 . 17 1 1 A 3 3 GLU CA C 3 55.476 55.688 -0.212 1 1 16 . 17 1 1 A 3 3 GLU CB C 3 31.142 33.945 -2.803 1 1 18 . 17 1 1 A 3 3 GLU N N 3 121.167 120.928 0.239 1 1 19 . 17 1 1 A 4 4 ILE H H 4 9.053 8.329 0.724 1 1 20 . 17 1 1 A 4 4 ILE HA H 4 5.361 5.081 0.280 1 1 30 . 17 1 1 A 4 4 ILE C C 4 175.817 174.580 1.237 1 1 31 . 17 1 1 A 4 4 ILE CA C 4 59.304 59.152 0.152 1 1 32 . 17 1 1 A 4 4 ILE CB C 4 42.079 42.829 -0.750 1 1 36 . 17 1 1 A 4 4 ILE N N 4 124.776 120.083 4.693 1 1 37 . 17 1 1 A 5 5 THR H H 5 8.977 8.231 0.746 1 1 38 . 17 1 1 A 5 5 THR HA H 5 5.141 5.491 -0.350 1 1 43 . 17 1 1 A 5 5 THR C C 5 173.483 173.462 0.021 1 1 44 . 17 1 1 A 5 5 THR CA C 5 59.304 60.476 -1.172 1 1 45 . 17 1 1 A 5 5 THR CB C 5 73.249 72.344 0.905 1 1 47 . 17 1 1 A 5 5 THR N N 5 112.659 116.055 -3.396 1 1 48 . 17 1 1 A 6 6 PHE H H 6 9.173 9.351 -0.178 1 1 49 . 17 1 1 A 6 6 PHE HA H 6 4.866 4.911 -0.045 1 1 53 . 17 1 1 A 6 6 PHE C C 6 175.591 174.751 0.840 1 1 54 . 17 1 1 A 6 6 PHE CA C 6 58.054 57.700 0.354 1 1 55 . 17 1 1 A 6 6 PHE CB C 6 42.625 42.678 -0.053 1 1 56 . 17 1 1 A 6 6 PHE N N 6 119.362 125.217 -5.855 1 1 57 . 17 1 1 A 7 7 LYS H H 7 11.130 9.171 1.959 1 1 58 . 17 1 1 A 7 7 LYS HA H 7 3.567 3.738 -0.171 1 1 67 . 17 1 1 A 7 7 LYS C C 7 177.661 176.721 0.940 1 1 68 . 17 1 1 A 7 7 LYS CA C 7 57.390 56.964 0.426 1 1 69 . 17 1 1 A 7 7 LYS CB C 7 29.222 30.018 -0.796 1 1 73 . 17 1 1 A 7 7 LYS N N 7 134.058 128.069 5.989 1 1 74 . 17 1 1 A 8 8 GLY H H 8 8.965 8.965 0.000 1 1 75 . 17 1 1 A 8 8 GLY HA2 H 8 4.244 3.853 0.391 1 1 76 . 17 1 1 A 8 8 GLY HA3 H 8 3.528 3.863 -0.335 1 1 77 . 17 1 1 A 8 8 GLY C C 8 173.822 174.331 -0.509 1 1 78 . 17 1 1 A 8 8 GLY CA C 8 45.360 45.940 -0.580 1 1 79 . 17 1 1 A 8 8 GLY N N 8 104.280 104.609 -0.329 1 1 80 . 17 1 1 A 9 9 GLY H H 9 7.942 7.975 -0.033 1 1 81 . 17 1 1 A 9 9 GLY HA2 H 9 4.815 4.339 0.476 1 1 82 . 17 1 1 A 9 9 GLY HA3 H 9 3.715 4.361 -0.646 1 1 83 . 17 1 1 A 9 9 GLY C C 9 171.262 172.667 -1.405 1 1 84 . 17 1 1 A 9 9 GLY CA C 9 43.172 44.527 -1.355 1 1 85 . 17 1 1 A 9 9 GLY N N 9 109.823 107.789 2.034 1 1 86 . 17 1 1 A 10 10 PRO HA H 10 4.640 4.900 -0.260 1 1 93 . 17 1 1 A 10 10 PRO C C 10 177.097 176.363 0.734 1 1 94 . 17 1 1 A 10 10 PRO CA C 10 63.952 62.868 1.084 1 1 95 . 17 1 1 A 10 10 PRO CB C 10 32.509 32.596 -0.087 1 1 98 . 17 1 1 A 11 11 VAL H H 11 7.770 8.587 -0.817 1 1 99 . 17 1 1 A 11 11 VAL HA H 11 4.632 4.946 -0.314 1 1 107 . 17 1 1 A 11 11 VAL C C 11 174.462 174.229 0.233 1 1 108 . 17 1 1 A 11 11 VAL CA C 11 59.304 59.450 -0.146 1 1 109 . 17 1 1 A 11 11 VAL CB C 11 35.516 35.896 -0.380 1 1 112 . 17 1 1 A 11 11 VAL N N 11 115.495 116.106 -0.611 1 1 113 . 17 1 1 A 12 12 THR H H 12 10.773 8.811 1.962 1 1 114 . 17 1 1 A 12 12 THR HA H 12 4.425 4.842 -0.417 1 1 119 . 17 1 1 A 12 12 THR C C 12 173.505 173.827 -0.322 1 1 120 . 17 1 1 A 12 12 THR CA C 12 62.312 61.395 0.917 1 1 121 . 17 1 1 A 12 12 THR CB C 12 69.694 70.978 -1.284 1 1 123 . 17 1 1 A 12 12 THR N N 12 121.940 118.815 3.125 1 1 124 . 17 1 1 A 13 13 LEU H H 13 8.524 8.246 0.278 1 1 125 . 17 1 1 A 13 13 LEU HA H 13 5.132 5.162 -0.030 1 1 135 . 17 1 1 A 13 13 LEU C C 13 177.285 176.022 1.263 1 1 136 . 17 1 1 A 13 13 LEU CA C 13 53.289 53.153 0.136 1 1 137 . 17 1 1 A 13 13 LEU CB C 13 42.352 45.056 -2.704 1 1 141 . 17 1 1 A 13 13 LEU N N 13 125.550 123.436 2.114 1 1 142 . 17 1 1 A 14 14 VAL H H 14 8.962 8.625 0.337 1 1 143 . 17 1 1 A 14 14 VAL HA H 14 3.859 4.415 -0.556 1 1 151 . 17 1 1 A 14 14 VAL C C 14 174.604 176.492 -1.888 1 1 152 . 17 1 1 A 14 14 VAL CA C 14 62.312 60.798 1.514 1 1 153 . 17 1 1 A 14 14 VAL CB C 14 32.509 34.201 -1.692 1 1 156 . 17 1 1 A 14 14 VAL N N 14 126.968 121.070 5.898 1 1 157 . 17 1 1 A 15 15 GLY H H 15 7.838 8.761 -0.923 1 1 158 . 17 1 1 A 15 15 GLY HA2 H 15 5.132 3.945 1.187 1 1 159 . 17 1 1 A 15 15 GLY HA3 H 15 3.730 3.962 -0.232 1 1 160 . 17 1 1 A 15 15 GLY C C 15 174.542 174.354 0.188 1 1 161 . 17 1 1 A 15 15 GLY CA C 15 43.446 44.961 -1.515 1 1 162 . 17 1 1 A 15 15 GLY N N 15 110.596 114.249 -3.653 1 1 163 . 17 1 1 A 16 16 GLN H H 16 8.247 8.351 -0.104 1 1 164 . 17 1 1 A 16 16 GLN HA H 16 4.347 4.286 0.061 1 1 171 . 17 1 1 A 16 16 GLN C C 16 174.876 174.734 0.142 1 1 172 . 17 1 1 A 16 16 GLN CA C 16 54.656 57.957 -3.301 1 1 173 . 17 1 1 A 16 16 GLN CB C 16 30.321 27.653 2.668 1 1 175 . 17 1 1 A 16 16 GLN N N 16 120.522 118.820 1.702 1 1 177 . 17 1 1 A 17 17 GLU H H 17 8.149 8.366 -0.217 1 1 178 . 17 1 1 A 17 17 GLU HA H 17 3.938 4.219 -0.281 1 1 183 . 17 1 1 A 17 17 GLU C C 17 176.607 175.155 1.452 1 1 184 . 17 1 1 A 17 17 GLU CA C 17 57.117 56.940 0.177 1 1 185 . 17 1 1 A 17 17 GLU CB C 17 30.321 30.439 -0.118 1 1 187 . 17 1 1 A 17 17 GLU N N 17 123.616 121.516 2.100 1 1 188 . 17 1 1 A 18 18 VAL H H 18 8.605 8.774 -0.169 1 1 189 . 17 1 1 A 18 18 VAL HA H 18 4.047 4.978 -0.931 1 1 197 . 17 1 1 A 18 18 VAL C C 18 174.386 174.257 0.129 1 1 198 . 17 1 1 A 18 18 VAL CA C 18 61.765 59.637 2.128 1 1 199 . 17 1 1 A 18 18 VAL CB C 18 32.782 35.510 -2.728 1 1 202 . 17 1 1 A 18 18 VAL N N 18 125.936 125.721 0.215 1 1 203 . 17 1 1 A 19 19 LYS H H 19 8.461 8.976 -0.515 1 1 204 . 17 1 1 A 19 19 LYS HA H 19 4.624 5.019 -0.395 1 1 213 . 17 1 1 A 19 19 LYS C C 19 176.457 174.758 1.699 1 1 214 . 17 1 1 A 19 19 LYS CA C 19 53.562 54.413 -0.851 1 1 215 . 17 1 1 A 19 19 LYS CB C 19 34.423 35.734 -1.311 1 1 219 . 17 1 1 A 19 19 LYS N N 19 123.874 123.910 -0.036 1 1 220 . 17 1 1 A 20 20 VAL H H 20 8.349 8.447 -0.098 1 1 221 . 17 1 1 A 20 20 VAL HA H 20 3.421 3.846 -0.425 1 1 229 . 17 1 1 A 20 20 VAL C C 20 177.624 176.933 0.691 1 1 230 . 17 1 1 A 20 20 VAL CA C 20 65.593 63.538 2.055 1 1 231 . 17 1 1 A 20 20 VAL CB C 20 31.415 31.572 -0.157 1 1 234 . 17 1 1 A 20 20 VAL N N 20 120.393 122.068 -1.675 1 1 235 . 17 1 1 A 21 21 GLY H H 21 9.338 9.415 -0.077 1 1 236 . 17 1 1 A 21 21 GLY HA2 H 21 4.566 4.034 0.532 1 1 237 . 17 1 1 A 21 21 GLY HA3 H 21 3.536 4.042 -0.506 1 1 238 . 17 1 1 A 21 21 GLY C C 21 174.160 174.084 0.076 1 1 239 . 17 1 1 A 21 21 GLY CA C 21 44.539 45.371 -0.832 1 1 240 . 17 1 1 A 21 21 GLY N N 21 117.429 117.738 -0.309 1 1 241 . 17 1 1 A 22 22 ASP H H 22 8.222 8.078 0.144 1 1 242 . 17 1 1 A 22 22 ASP HA H 22 4.650 4.745 -0.095 1 1 245 . 17 1 1 A 22 22 ASP C C 22 176.231 175.960 0.271 1 1 246 . 17 1 1 A 22 22 ASP CA C 22 54.382 53.508 0.874 1 1 247 . 17 1 1 A 22 22 ASP CB C 22 40.985 40.787 0.198 1 1 248 . 17 1 1 A 22 22 ASP N N 22 121.811 121.510 0.301 1 1 249 . 17 1 1 A 23 23 GLN H H 23 8.598 8.020 0.578 1 1 250 . 17 1 1 A 23 23 GLN HA H 23 4.224 4.021 0.203 1 1 257 . 17 1 1 A 23 23 GLN C C 23 175.892 174.788 1.104 1 1 258 . 17 1 1 A 23 23 GLN CA C 23 55.203 56.556 -1.353 1 1 259 . 17 1 1 A 23 23 GLN CB C 23 28.954 27.431 1.523 1 1 261 . 17 1 1 A 23 23 GLN N N 23 119.491 118.921 0.570 1 1 263 . 17 1 1 A 24 24 ALA H H 24 8.664 7.594 1.070 1 1 264 . 17 1 1 A 24 24 ALA HA H 24 4.030 4.172 -0.142 1 1 268 . 17 1 1 A 24 24 ALA C C 24 174.386 177.824 -3.438 1 1 269 . 17 1 1 A 24 24 ALA CA C 24 51.101 50.662 0.439 1 1 270 . 17 1 1 A 24 24 ALA CB C 24 19.111 18.941 0.170 1 1 271 . 17 1 1 A 24 24 ALA N N 24 129.804 128.159 1.645 1 1 272 . 17 1 1 A 25 25 PRO HA H 25 4.422 4.448 -0.026 1 1 279 . 17 1 1 A 25 25 PRO C C 25 173.596 176.872 -3.276 1 1 280 . 17 1 1 A 25 25 PRO CA C 25 61.765 64.466 -2.701 1 1 281 . 17 1 1 A 25 25 PRO CB C 25 32.509 32.017 0.492 1 1 284 . 17 1 1 A 26 26 ASP H H 26 7.546 7.971 -0.425 1 1 285 . 17 1 1 A 26 26 ASP HA H 26 4.411 4.690 -0.279 1 1 288 . 17 1 1 A 26 26 ASP C C 26 175.591 173.923 1.668 1 1 289 . 17 1 1 A 26 26 ASP CA C 26 54.656 54.262 0.394 1 1 290 . 17 1 1 A 26 26 ASP CB C 26 42.625 43.831 -1.206 1 1 291 . 17 1 1 A 26 26 ASP N N 26 114.979 114.293 0.686 1 1 292 . 17 1 1 A 27 27 PHE H H 27 7.379 8.507 -1.128 1 1 293 . 17 1 1 A 27 27 PHE HA H 27 4.659 5.552 -0.893 1 1 295 . 17 1 1 A 27 27 PHE C C 27 173.407 173.002 0.405 1 1 296 . 17 1 1 A 27 27 PHE CA C 27 56.570 55.658 0.912 1 1 297 . 17 1 1 A 27 27 PHE CB C 27 39.891 42.458 -2.567 1 1 298 . 17 1 1 A 27 27 PHE N N 27 113.561 120.271 -6.710 1 1 299 . 17 1 1 A 28 28 THR H H 28 8.540 8.729 -0.189 1 1 300 . 17 1 1 A 28 28 THR HA H 28 4.936 5.574 -0.638 1 1 305 . 17 1 1 A 28 28 THR C C 28 173.443 173.923 -0.480 1 1 306 . 17 1 1 A 28 28 THR CA C 28 62.889 61.316 1.573 1 1 307 . 17 1 1 A 28 28 THR CB C 28 72.155 71.704 0.451 1 1 309 . 17 1 1 A 28 28 THR N N 28 114.593 114.767 -0.174 1 1 310 . 17 1 1 A 29 29 VAL H H 29 9.120 9.252 -0.132 1 1 311 . 17 1 1 A 29 29 VAL HA H 29 4.863 5.009 -0.146 1 1 319 . 17 1 1 A 29 29 VAL C C 29 173.558 174.342 -0.784 1 1 320 . 17 1 1 A 29 29 VAL CA C 29 59.527 59.302 0.225 1 1 321 . 17 1 1 A 29 29 VAL CB C 29 35.243 36.281 -1.038 1 1 324 . 17 1 1 A 29 29 VAL N N 29 119.233 118.678 0.555 1 1 325 . 17 1 1 A 30 30 LEU H H 30 8.565 9.273 -0.708 1 1 326 . 17 1 1 A 30 30 LEU HA H 30 5.615 5.274 0.341 1 1 336 . 17 1 1 A 30 30 LEU C C 30 180.310 177.261 3.049 1 1 337 . 17 1 1 A 30 30 LEU CA C 30 53.562 53.559 0.003 1 1 338 . 17 1 1 A 30 30 LEU CB C 30 47.547 43.798 3.749 1 1 342 . 17 1 1 A 30 30 LEU N N 30 117.429 122.435 -5.006 1 1 343 . 17 1 1 A 31 31 THR H H 31 9.587 8.682 0.905 1 1 344 . 17 1 1 A 31 31 THR HA H 31 4.741 4.553 0.188 1 1 349 . 17 1 1 A 31 31 THR C C 31 176.457 176.336 0.121 1 1 350 . 17 1 1 A 31 31 THR CA C 31 60.632 60.758 -0.126 1 1 351 . 17 1 1 A 31 31 THR CB C 31 71.451 71.492 -0.041 1 1 353 . 17 1 1 A 31 31 THR N N 31 114.721 115.301 -0.580 1 1 354 . 17 1 1 A 32 32 ASN H H 32 9.812 9.160 0.652 1 1 355 . 17 1 1 A 32 32 ASN HA H 32 4.352 4.639 -0.287 1 1 358 . 17 1 1 A 32 32 ASN C C 32 175.252 175.813 -0.561 1 1 359 . 17 1 1 A 32 32 ASN CA C 32 55.476 54.924 0.552 1 1 360 . 17 1 1 A 32 32 ASN CB C 32 38.524 37.689 0.835 1 1 361 . 17 1 1 A 32 32 ASN N N 32 118.460 119.428 -0.968 1 1 362 . 17 1 1 A 33 33 SER H H 33 7.782 7.789 -0.007 1 1 363 . 17 1 1 A 33 33 SER HA H 33 4.562 4.597 -0.035 1 1 366 . 17 1 1 A 33 33 SER C C 33 173.822 173.319 0.503 1 1 367 . 17 1 1 A 33 33 SER CA C 33 57.390 58.109 -0.719 1 1 368 . 17 1 1 A 33 33 SER CB C 33 62.859 63.398 -0.539 1 1 369 . 17 1 1 A 33 33 SER N N 33 110.725 114.389 -3.664 1 1 370 . 17 1 1 A 34 34 LEU H H 34 8.342 8.082 0.260 1 1 371 . 17 1 1 A 34 34 LEU HA H 34 3.686 3.792 -0.106 1 1 381 . 17 1 1 A 34 34 LEU C C 34 175.516 175.265 0.251 1 1 382 . 17 1 1 A 34 34 LEU CA C 34 57.117 56.202 0.915 1 1 383 . 17 1 1 A 34 34 LEU CB C 34 37.430 39.986 -2.556 1 1 387 . 17 1 1 A 34 34 LEU N N 34 116.913 119.520 -2.607 1 1 388 . 17 1 1 A 35 35 GLU H H 35 7.538 7.762 -0.224 1 1 389 . 17 1 1 A 35 35 GLU HA H 35 4.546 4.859 -0.313 1 1 394 . 17 1 1 A 35 35 GLU C C 35 176.005 175.519 0.486 1 1 395 . 17 1 1 A 35 35 GLU CA C 35 54.929 54.720 0.209 1 1 396 . 17 1 1 A 35 35 GLU CB C 35 30.868 32.672 -1.804 1 1 398 . 17 1 1 A 35 35 GLU N N 35 117.429 116.844 0.585 1 1 399 . 17 1 1 A 36 36 GLU H H 36 8.681 8.520 0.161 1 1 400 . 17 1 1 A 36 36 GLU HA H 36 4.740 4.624 0.116 1 1 405 . 17 1 1 A 36 36 GLU C C 36 176.833 175.978 0.855 1 1 406 . 17 1 1 A 36 36 GLU CA C 36 56.923 57.192 -0.269 1 1 407 . 17 1 1 A 36 36 GLU CB C 36 30.868 30.297 0.571 1 1 409 . 17 1 1 A 36 36 GLU N N 36 121.296 121.950 -0.654 1 1 410 . 17 1 1 A 37 37 LYS H H 37 9.122 8.584 0.538 1 1 411 . 17 1 1 A 37 37 LYS HA H 37 4.639 4.938 -0.299 1 1 420 . 17 1 1 A 37 37 LYS C C 37 173.671 174.413 -0.742 1 1 421 . 17 1 1 A 37 37 LYS CA C 37 55.476 55.379 0.097 1 1 422 . 17 1 1 A 37 37 LYS CB C 37 35.243 36.478 -1.235 1 1 426 . 17 1 1 A 37 37 LYS N N 37 125.292 123.150 2.142 1 1 427 . 17 1 1 A 38 38 SER H H 38 9.337 8.406 0.931 1 1 428 . 17 1 1 A 38 38 SER HA H 38 5.310 5.008 0.302 1 1 431 . 17 1 1 A 38 38 SER C C 38 175.102 174.819 0.283 1 1 432 . 17 1 1 A 38 38 SER CA C 38 56.296 55.810 0.486 1 1 433 . 17 1 1 A 38 38 SER CB C 38 67.233 66.560 0.673 1 1 434 . 17 1 1 A 38 38 SER N N 38 121.811 118.161 3.650 1 1 435 . 17 1 1 A 39 39 LEU H H 39 7.023 8.068 -1.045 1 1 436 . 17 1 1 A 39 39 LEU HA H 39 3.872 3.666 0.206 1 1 446 . 17 1 1 A 39 39 LEU C C 39 179.845 178.276 1.569 1 1 447 . 17 1 1 A 39 39 LEU CA C 39 58.210 58.024 0.186 1 1 448 . 17 1 1 A 39 39 LEU CB C 39 40.711 40.862 -0.151 1 1 452 . 17 1 1 A 39 39 LEU N N 39 121.811 122.427 -0.616 1 1 453 . 17 1 1 A 40 40 ALA H H 40 8.447 7.708 0.739 1 1 454 . 17 1 1 A 40 40 ALA HA H 40 3.890 3.968 -0.078 1 1 458 . 17 1 1 A 40 40 ALA C C 40 179.995 179.658 0.337 1 1 459 . 17 1 1 A 40 40 ALA CA C 40 55.203 54.672 0.531 1 1 460 . 17 1 1 A 40 40 ALA CB C 40 18.291 18.258 0.033 1 1 461 . 17 1 1 A 40 40 ALA N N 40 119.362 118.591 0.771 1 1 462 . 17 1 1 A 41 41 ASP H H 41 7.517 7.832 -0.315 1 1 463 . 17 1 1 A 41 41 ASP HA H 41 4.469 4.323 0.146 1 1 466 . 17 1 1 A 41 41 ASP C C 41 176.720 178.834 -2.114 1 1 467 . 17 1 1 A 41 41 ASP CA C 41 56.296 56.695 -0.399 1 1 468 . 17 1 1 A 41 41 ASP CB C 41 42.079 40.643 1.436 1 1 469 . 17 1 1 A 41 41 ASP N N 41 114.850 118.796 -3.946 1 1 470 . 17 1 1 A 42 42 MET H H 42 7.989 7.946 0.043 1 1 471 . 17 1 1 A 42 42 MET HA H 42 4.336 4.399 -0.063 1 1 479 . 17 1 1 A 42 42 MET C C 42 175.440 177.177 -1.737 1 1 480 . 17 1 1 A 42 42 MET CA C 42 56.843 58.239 -1.396 1 1 481 . 17 1 1 A 42 42 MET CB C 42 31.962 32.352 -0.390 1 1 484 . 17 1 1 A 42 42 MET N N 42 118.847 116.260 2.587 1 1 485 . 17 1 1 A 43 43 LYS H H 43 6.901 7.597 -0.696 1 1 486 . 17 1 1 A 43 43 LYS HA H 43 4.265 4.156 0.109 1 1 494 . 17 1 1 A 43 43 LYS C C 43 177.435 177.539 -0.104 1 1 495 . 17 1 1 A 43 43 LYS CA C 43 57.664 58.601 -0.937 1 1 496 . 17 1 1 A 43 43 LYS CB C 43 33.329 32.390 0.939 1 1 500 . 17 1 1 A 43 43 LYS N N 43 116.913 119.819 -2.906 1 1 501 . 17 1 1 A 44 44 GLY H H 44 9.268 9.016 0.252 1 1 502 . 17 1 1 A 44 44 GLY HA2 H 44 3.692 4.015 -0.323 1 1 503 . 17 1 1 A 44 44 GLY HA3 H 44 4.596 4.016 0.580 1 1 504 . 17 1 1 A 44 44 GLY C C 44 173.671 173.365 0.306 1 1 505 . 17 1 1 A 44 44 GLY CA C 44 44.813 45.111 -0.298 1 1 506 . 17 1 1 A 44 44 GLY N N 44 111.112 112.183 -1.071 1 1 507 . 17 1 1 A 45 45 LYS H H 45 7.516 7.811 -0.295 1 1 508 . 17 1 1 A 45 45 LYS HA H 45 4.754 4.802 -0.048 1 1 515 . 17 1 1 A 45 45 LYS C C 45 175.214 174.662 0.552 1 1 516 . 17 1 1 A 45 45 LYS CA C 45 54.820 55.041 -0.221 1 1 517 . 17 1 1 A 45 45 LYS CB C 45 36.883 36.222 0.661 1 1 521 . 17 1 1 A 45 45 LYS N N 45 117.944 121.270 -3.326 1 1 522 . 17 1 1 A 46 46 VAL H H 46 8.887 8.601 0.286 1 1 523 . 17 1 1 A 46 46 VAL HA H 46 3.950 4.100 -0.150 1 1 531 . 17 1 1 A 46 46 VAL C C 46 174.876 175.467 -0.591 1 1 532 . 17 1 1 A 46 46 VAL CA C 46 64.773 63.446 1.327 1 1 533 . 17 1 1 A 46 46 VAL CB C 46 31.962 32.095 -0.133 1 1 536 . 17 1 1 A 46 46 VAL N N 46 124.776 124.375 0.401 1 1 537 . 17 1 1 A 47 47 THR H H 47 8.956 8.895 0.061 1 1 538 . 17 1 1 A 47 47 THR HA H 47 5.300 5.279 0.021 1 1 543 . 17 1 1 A 47 47 THR C C 47 172.579 173.571 -0.992 1 1 544 . 17 1 1 A 47 47 THR CA C 47 62.312 61.467 0.845 1 1 545 . 17 1 1 A 47 47 THR CB C 47 73.249 72.087 1.162 1 1 547 . 17 1 1 A 47 47 THR N N 47 124.132 122.475 1.657 1 1 548 . 17 1 1 A 48 48 ILE H H 48 9.160 8.926 0.234 1 1 549 . 17 1 1 A 48 48 ILE HA H 48 4.740 4.945 -0.205 1 1 559 . 17 1 1 A 48 48 ILE C C 48 173.972 175.248 -1.276 1 1 560 . 17 1 1 A 48 48 ILE CA C 48 61.441 60.128 1.313 1 1 561 . 17 1 1 A 48 48 ILE CB C 48 40.438 42.160 -1.722 1 1 565 . 17 1 1 A 48 48 ILE N N 48 128.515 124.504 4.011 1 1 566 . 17 1 1 A 49 49 ILE H H 49 9.507 9.175 0.332 1 1 567 . 17 1 1 A 49 49 ILE HA H 49 4.883 4.888 -0.005 1 1 577 . 17 1 1 A 49 49 ILE C C 49 174.650 175.197 -0.547 1 1 578 . 17 1 1 A 49 49 ILE CA C 49 60.773 60.427 0.346 1 1 579 . 17 1 1 A 49 49 ILE CB C 49 41.532 40.631 0.901 1 1 583 . 17 1 1 A 49 49 ILE N N 49 126.194 127.788 -1.594 1 1 584 . 17 1 1 A 50 50 SER H H 50 9.079 9.323 -0.244 1 1 585 . 17 1 1 A 50 50 SER HA H 50 5.138 5.082 0.056 1 1 588 . 17 1 1 A 50 50 SER C C 50 172.692 173.737 -1.045 1 1 589 . 17 1 1 A 50 50 SER CA C 50 56.843 58.621 -1.778 1 1 590 . 17 1 1 A 50 50 SER CB C 50 64.773 64.365 0.408 1 1 591 . 17 1 1 A 50 50 SER N N 50 121.940 124.451 -2.511 1 1 592 . 17 1 1 A 51 51 VAL H H 51 9.010 8.651 0.359 1 1 593 . 17 1 1 A 51 51 VAL HA H 51 4.873 5.049 -0.176 1 1 601 . 17 1 1 A 51 51 VAL CA C 51 61.595 60.978 0.617 1 1 602 . 17 1 1 A 51 51 VAL CB C 51 32.509 35.362 -2.853 1 1 605 . 17 1 1 A 51 51 VAL N N 51 128.128 122.967 5.161 1 1 606 . 17 1 1 A 52 52 ILE H H 52 8.182 8.708 -0.526 1 1 607 . 17 1 1 A 52 52 ILE HA H 52 4.862 4.791 0.071 1 1 616 . 17 1 1 A 52 52 ILE CA C 52 58.026 57.388 0.638 1 1 617 . 17 1 1 A 52 52 ILE CB C 52 43.172 40.260 2.912 1 1 621 . 17 1 1 A 52 52 ILE N N 52 124.776 123.125 1.651 1 1 622 . 17 1 1 A 53 53 PRO HA H 53 4.904 4.462 0.442 1 1 629 . 17 1 1 A 53 53 PRO CA C 53 65.560 64.849 0.711 1 1 630 . 17 1 1 A 53 53 PRO CB C 53 31.826 32.261 -0.435 1 1 633 . 17 1 1 A 54 54 SER H H 54 7.214 7.686 -0.472 1 1 634 . 17 1 1 A 54 54 SER HA H 54 5.100 4.729 0.371 1 1 637 . 17 1 1 A 54 54 SER CA C 54 57.417 56.953 0.464 1 1 638 . 17 1 1 A 54 54 SER CB C 54 65.195 65.319 -0.124 1 1 639 . 17 1 1 A 54 54 SER N N 54 107.901 112.016 -4.115 1 1 640 . 17 1 1 A 55 55 ILE H H 55 7.330 8.609 -1.279 1 1 641 . 17 1 1 A 55 55 ILE HA H 55 5.075 4.208 0.867 1 1 651 . 17 1 1 A 55 55 ILE CA C 55 61.734 62.454 -0.720 1 1 652 . 17 1 1 A 55 55 ILE CB C 55 36.233 38.753 -2.520 1 1 656 . 17 1 1 A 56 56 ASP H H 56 8.699 8.030 0.669 1 1 657 . 17 1 1 A 56 56 ASP HA H 56 5.075 4.525 0.550 1 1 660 . 17 1 1 A 56 56 ASP CA C 56 54.407 56.561 -2.154 1 1 661 . 17 1 1 A 56 56 ASP CB C 56 42.832 40.806 2.026 1 1 662 . 17 1 1 A 56 56 ASP N N 56 121.940 121.574 0.366 1 1 663 . 17 1 1 A 57 57 THR H H 57 7.294 7.903 -0.609 1 1 664 . 17 1 1 A 57 57 THR HA H 57 4.323 4.285 0.038 1 1 669 . 17 1 1 A 57 57 THR C C 57 175.440 176.189 -0.749 1 1 670 . 17 1 1 A 57 57 THR CA C 57 61.765 63.596 -1.831 1 1 671 . 17 1 1 A 57 57 THR CB C 57 69.421 70.549 -1.128 1 1 673 . 17 1 1 A 57 57 THR N N 57 108.921 109.495 -0.574 1 1 674 . 17 1 1 A 58 58 GLY H H 58 8.215 7.844 0.371 1 1 675 . 17 1 1 A 58 58 GLY HA2 H 58 4.012 3.971 0.041 1 1 676 . 17 1 1 A 58 58 GLY HA3 H 58 4.012 3.974 0.038 1 1 677 . 17 1 1 A 58 58 GLY C C 58 173.520 175.395 -1.875 1 1 678 . 17 1 1 A 58 58 GLY CA C 58 45.360 45.807 -0.447 1 1 679 . 17 1 1 A 58 58 GLY N N 58 110.969 110.002 0.967 1 1 680 . 17 1 1 A 59 59 VAL H H 59 7.976 8.074 -0.098 1 1 681 . 17 1 1 A 59 59 VAL HA H 59 4.307 4.051 0.256 1 1 689 . 17 1 1 A 59 59 VAL C C 59 175.854 178.056 -2.202 1 1 690 . 17 1 1 A 59 59 VAL CA C 59 61.765 65.341 -3.576 1 1 691 . 17 1 1 A 59 59 VAL CB C 59 33.329 31.183 2.146 1 1 694 . 17 1 1 A 59 59 VAL N N 59 118.501 119.015 -0.514 1 1 696 . 17 1 1 A 61 61 ASP HA H 61 4.323 4.476 -0.153 1 1 697 . 17 1 1 A 61 61 ASP CA C 61 54.382 56.303 -1.921 1 1 698 . 17 1 1 A 61 61 ASP CB C 61 39.142 40.837 -1.695 1 1 699 . 17 1 1 A 62 62 ALA H H 62 8.663 7.638 1.025 1 1 700 . 17 1 1 A 62 62 ALA HA H 62 3.971 4.592 -0.621 1 1 704 . 17 1 1 A 62 62 ALA C C 62 180.485 177.613 2.872 1 1 705 . 17 1 1 A 62 62 ALA CA C 62 55.203 50.718 4.485 1 1 706 . 17 1 1 A 62 62 ALA CB C 62 18.838 22.689 -3.851 1 1 707 . 17 1 1 A 63 63 GLN H H 63 8.550 9.056 -0.506 1 1 708 . 17 1 1 A 63 63 GLN HA H 63 3.865 4.112 -0.247 1 1 715 . 17 1 1 A 63 63 GLN C C 63 178.527 176.851 1.676 1 1 716 . 17 1 1 A 63 63 GLN CA C 63 59.346 58.309 1.037 1 1 717 . 17 1 1 A 63 63 GLN CB C 63 28.635 28.308 0.327 1 1 719 . 17 1 1 A 63 63 GLN N N 63 117.429 119.459 -2.030 1 1 721 . 17 1 1 A 64 64 THR H H 64 8.121 8.262 -0.141 1 1 722 . 17 1 1 A 64 64 THR HA H 64 3.624 3.871 -0.247 1 1 727 . 17 1 1 A 64 64 THR C C 64 178.527 176.194 2.333 1 1 728 . 17 1 1 A 64 64 THR CA C 64 66.686 67.193 -0.507 1 1 729 . 17 1 1 A 64 64 THR CB C 64 68.600 68.589 0.011 1 1 731 . 17 1 1 A 64 64 THR N N 64 118.460 114.948 3.512 1 1 732 . 17 1 1 A 65 65 ARG H H 65 7.530 8.005 -0.475 1 1 733 . 17 1 1 A 65 65 ARG HA H 65 3.904 3.933 -0.029 1 1 739 . 17 1 1 A 65 65 ARG CA C 65 59.507 59.920 -0.413 1 1 740 . 17 1 1 A 65 65 ARG CB C 65 29.637 29.693 -0.056 1 1 743 . 17 1 1 A 66 66 ARG H H 66 7.972 7.558 0.414 1 1 744 . 17 1 1 A 66 66 ARG HA H 66 4.056 3.814 0.242 1 1 751 . 17 1 1 A 66 66 ARG C C 66 177.624 177.909 -0.285 1 1 752 . 17 1 1 A 66 66 ARG CA C 66 59.031 58.845 0.186 1 1 753 . 17 1 1 A 66 66 ARG CB C 66 29.228 29.512 -0.284 1 1 756 . 17 1 1 A 66 66 ARG N N 66 118.460 119.390 -0.930 1 1 757 . 17 1 1 A 67 67 PHE H H 67 7.673 8.217 -0.544 1 1 758 . 17 1 1 A 67 67 PHE HA H 67 4.260 4.038 0.222 1 1 763 . 17 1 1 A 67 67 PHE C C 67 176.043 177.160 -1.117 1 1 764 . 17 1 1 A 67 67 PHE CA C 67 60.945 61.220 -0.275 1 1 765 . 17 1 1 A 67 67 PHE CB C 67 39.071 39.219 -0.148 1 1 766 . 17 1 1 A 67 67 PHE N N 67 119.362 120.444 -1.082 1 1 767 . 17 1 1 A 68 68 ASN H H 68 7.688 8.233 -0.545 1 1 768 . 17 1 1 A 68 68 ASN HA H 68 4.150 3.985 0.165 1 1 771 . 17 1 1 A 68 68 ASN C C 68 177.172 177.948 -0.776 1 1 772 . 17 1 1 A 68 68 ASN CA C 68 55.750 55.962 -0.212 1 1 773 . 17 1 1 A 68 68 ASN CB C 68 37.977 37.767 0.210 1 1 774 . 17 1 1 A 68 68 ASN N N 68 117.042 117.830 -0.788 1 1 775 . 17 1 1 A 69 69 GLU H H 69 8.185 8.521 -0.336 1 1 776 . 17 1 1 A 69 69 GLU HA H 69 3.848 3.975 -0.127 1 1 781 . 17 1 1 A 69 69 GLU C C 69 179.468 178.500 0.968 1 1 782 . 17 1 1 A 69 69 GLU CA C 69 59.577 59.290 0.287 1 1 783 . 17 1 1 A 69 69 GLU CB C 69 30.321 29.113 1.208 1 1 785 . 17 1 1 A 69 69 GLU N N 69 118.975 119.754 -0.779 1 1 786 . 17 1 1 A 70 70 GLU H H 70 8.671 8.175 0.496 1 1 787 . 17 1 1 A 70 70 GLU HA H 70 3.807 4.046 -0.239 1 1 792 . 17 1 1 A 70 70 GLU C C 70 179.468 178.183 1.285 1 1 793 . 17 1 1 A 70 70 GLU CA C 70 58.757 59.353 -0.596 1 1 794 . 17 1 1 A 70 70 GLU CB C 70 29.501 29.383 0.118 1 1 796 . 17 1 1 A 70 70 GLU N N 70 118.975 119.700 -0.725 1 1 797 . 17 1 1 A 71 71 ALA H H 71 8.418 8.298 0.120 1 1 798 . 17 1 1 A 71 71 ALA HA H 71 3.616 3.971 -0.355 1 1 802 . 17 1 1 A 71 71 ALA C C 71 178.226 180.182 -1.956 1 1 803 . 17 1 1 A 71 71 ALA CA C 71 54.656 54.886 -0.230 1 1 804 . 17 1 1 A 71 71 ALA CB C 71 18.017 17.593 0.424 1 1 805 . 17 1 1 A 71 71 ALA N N 71 122.069 121.438 0.631 1 1 806 . 17 1 1 A 72 72 ALA H H 72 7.520 8.017 -0.497 1 1 807 . 17 1 1 A 72 72 ALA HA H 72 3.842 3.991 -0.149 1 1 811 . 17 1 1 A 72 72 ALA C C 72 179.280 178.009 1.271 1 1 812 . 17 1 1 A 72 72 ALA CA C 72 54.109 54.223 -0.114 1 1 813 . 17 1 1 A 72 72 ALA CB C 72 18.564 18.173 0.391 1 1 814 . 17 1 1 A 72 72 ALA N N 72 116.139 119.424 -3.285 1 1 815 . 17 1 1 A 73 73 LYS H H 73 7.302 7.512 -0.210 1 1 816 . 17 1 1 A 73 73 LYS HA H 73 4.129 4.266 -0.137 1 1 825 . 17 1 1 A 73 73 LYS C C 73 177.661 178.320 -0.659 1 1 826 . 17 1 1 A 73 73 LYS CA C 73 57.116 56.960 0.156 1 1 827 . 17 1 1 A 73 73 LYS CB C 73 32.782 32.816 -0.034 1 1 831 . 17 1 1 A 73 73 LYS N N 73 114.850 116.129 -1.279 1 1 832 . 17 1 1 A 74 74 LEU H H 74 7.398 7.581 -0.183 1 1 833 . 17 1 1 A 74 74 LEU HA H 74 3.983 4.029 -0.046 1 1 843 . 17 1 1 A 74 74 LEU C C 74 177.021 176.813 0.208 1 1 844 . 17 1 1 A 74 74 LEU CA C 74 56.843 56.909 -0.066 1 1 845 . 17 1 1 A 74 74 LEU CB C 74 42.625 42.812 -0.187 1 1 849 . 17 1 1 A 74 74 LEU N N 74 118.460 119.368 -0.908 1 1 850 . 17 1 1 A 75 75 GLY H H 75 7.174 7.230 -0.056 1 1 851 . 17 1 1 A 75 75 GLY HA2 H 75 4.215 4.049 0.166 1 1 852 . 17 1 1 A 75 75 GLY HA3 H 75 3.630 4.051 -0.421 1 1 853 . 17 1 1 A 75 75 GLY C C 75 172.805 172.856 -0.051 1 1 854 . 17 1 1 A 75 75 GLY CA C 75 45.360 45.565 -0.205 1 1 855 . 17 1 1 A 75 75 GLY N N 75 102.991 104.339 -1.348 1 1 856 . 17 1 1 A 76 76 ASP H H 76 8.825 8.507 0.318 1 1 857 . 17 1 1 A 76 76 ASP HA H 76 4.766 4.727 0.039 1 1 860 . 17 1 1 A 76 76 ASP C C 76 173.749 175.481 -1.732 1 1 861 . 17 1 1 A 76 76 ASP CA C 76 53.708 53.087 0.621 1 1 862 . 17 1 1 A 76 76 ASP CB C 76 39.071 39.678 -0.607 1 1 863 . 17 1 1 A 76 76 ASP N N 76 126.839 120.584 6.255 1 1 864 . 17 1 1 A 77 77 VAL H H 77 7.511 7.433 0.078 1 1 865 . 17 1 1 A 77 77 VAL HA H 77 4.772 4.037 0.735 1 1 873 . 17 1 1 A 77 77 VAL C C 77 175.629 175.762 -0.133 1 1 874 . 17 1 1 A 77 77 VAL CA C 77 58.959 62.046 -3.087 1 1 875 . 17 1 1 A 77 77 VAL CB C 77 34.970 32.577 2.393 1 1 878 . 17 1 1 A 77 77 VAL N N 77 115.615 117.347 -1.732 1 1 879 . 17 1 1 A 78 78 ASN H H 78 8.822 8.808 0.014 1 1 880 . 17 1 1 A 78 78 ASN HA H 78 4.820 4.771 0.049 1 1 885 . 17 1 1 A 78 78 ASN C C 78 174.047 175.115 -1.068 1 1 886 . 17 1 1 A 78 78 ASN CA C 78 52.085 53.560 -1.475 1 1 887 . 17 1 1 A 78 78 ASN CB C 78 40.438 38.912 1.526 1 1 888 . 17 1 1 A 78 78 ASN N N 78 120.393 122.287 -1.894 1 1 890 . 17 1 1 A 79 79 VAL H H 79 8.044 8.437 -0.393 1 1 891 . 17 1 1 A 79 79 VAL HA H 79 4.669 4.790 -0.121 1 1 899 . 17 1 1 A 79 79 VAL C C 79 174.123 173.594 0.529 1 1 900 . 17 1 1 A 79 79 VAL CA C 79 61.491 60.037 1.454 1 1 901 . 17 1 1 A 79 79 VAL CB C 79 33.329 34.498 -1.169 1 1 904 . 17 1 1 A 79 79 VAL N N 79 122.456 117.173 5.283 1 1 905 . 17 1 1 A 80 80 TYR H H 80 8.944 8.828 0.116 1 1 906 . 17 1 1 A 80 80 TYR HA H 80 6.170 5.308 0.862 1 1 911 . 17 1 1 A 80 80 TYR C C 80 177.210 175.297 1.913 1 1 912 . 17 1 1 A 80 80 TYR CA C 80 54.929 55.813 -0.884 1 1 913 . 17 1 1 A 80 80 TYR CB C 80 42.899 43.112 -0.213 1 1 914 . 17 1 1 A 80 80 TYR N N 80 123.229 123.939 -0.710 1 1 915 . 17 1 1 A 81 81 THR H H 81 8.465 8.657 -0.192 1 1 916 . 17 1 1 A 81 81 THR HA H 81 5.652 5.257 0.395 1 1 921 . 17 1 1 A 81 81 THR C C 81 172.880 173.042 -0.162 1 1 922 . 17 1 1 A 81 81 THR CA C 81 62.038 61.614 0.424 1 1 923 . 17 1 1 A 81 81 THR CB C 81 71.608 71.271 0.337 1 1 925 . 17 1 1 A 81 81 THR N N 81 119.491 115.641 3.850 1 1 926 . 17 1 1 A 82 82 ILE H H 82 8.958 9.284 -0.326 1 1 927 . 17 1 1 A 82 82 ILE HA H 82 5.145 4.589 0.556 1 1 937 . 17 1 1 A 82 82 ILE C C 82 174.123 174.841 -0.718 1 1 938 . 17 1 1 A 82 82 ILE CA C 82 59.847 60.468 -0.621 1 1 939 . 17 1 1 A 82 82 ILE CB C 82 39.618 38.372 1.246 1 1 943 . 17 1 1 A 82 82 ILE N N 82 125.550 128.780 -3.230 1 1 944 . 17 1 1 A 83 83 SER H H 83 7.731 8.805 -1.074 1 1 945 . 17 1 1 A 83 83 SER HA H 83 4.909 5.362 -0.453 1 1 948 . 17 1 1 A 83 83 SER C C 83 173.182 173.855 -0.673 1 1 949 . 17 1 1 A 83 83 SER CA C 83 57.034 57.767 -0.733 1 1 950 . 17 1 1 A 83 83 SER CB C 83 68.054 67.265 0.789 1 1 951 . 17 1 1 A 83 83 SER N N 83 117.171 121.501 -4.330 1 1 952 . 17 1 1 A 84 84 ALA H H 84 9.548 8.692 0.856 1 1 953 . 17 1 1 A 84 84 ALA HA H 84 4.177 4.510 -0.333 1 1 957 . 17 1 1 A 84 84 ALA C C 84 175.290 176.813 -1.523 1 1 958 . 17 1 1 A 84 84 ALA CA C 84 51.922 51.281 0.641 1 1 959 . 17 1 1 A 84 84 ALA CB C 84 19.111 20.002 -0.891 1 1 960 . 17 1 1 A 84 84 ALA N N 84 120.651 124.893 -4.242 1 1 961 . 17 1 1 A 85 85 ASP H H 85 7.739 8.766 -1.027 1 1 962 . 17 1 1 A 85 85 ASP HA H 85 4.380 4.786 -0.406 1 1 965 . 17 1 1 A 85 85 ASP C C 85 175.591 177.777 -2.186 1 1 966 . 17 1 1 A 85 85 ASP CA C 85 55.136 55.294 -0.158 1 1 967 . 17 1 1 A 85 85 ASP CB C 85 43.011 43.238 -0.227 1 1 968 . 17 1 1 A 85 85 ASP N N 85 114.721 118.184 -3.463 1 1 969 . 17 1 1 A 86 86 LEU H H 86 8.475 7.941 0.534 1 1 970 . 17 1 1 A 86 86 LEU HA H 86 3.956 4.019 -0.063 1 1 980 . 17 1 1 A 86 86 LEU CA C 86 54.656 57.742 -3.086 1 1 981 . 17 1 1 A 86 86 LEU CB C 86 39.380 41.281 -1.901 1 1 985 . 17 1 1 A 87 87 PRO HA H 87 4.225 4.676 -0.451 1 1 992 . 17 1 1 A 87 87 PRO CA C 87 65.046 63.219 1.827 1 1 993 . 17 1 1 A 87 87 PRO CB C 87 32.264 31.174 1.090 1 1 996 . 17 1 1 A 88 88 PHE H H 88 5.565 8.030 -2.465 1 1 997 . 17 1 1 A 88 88 PHE HA H 88 4.340 4.088 0.252 1 1 1000 . 17 1 1 A 88 88 PHE CA C 88 57.664 59.024 -1.360 1 1 1001 . 17 1 1 A 88 88 PHE CB C 88 39.344 37.365 1.979 1 1 1002 . 17 1 1 A 88 88 PHE N N 88 110.725 117.930 -7.205 1 1 1003 . 17 1 1 A 89 89 ALA H H 89 7.381 7.500 -0.119 1 1 1004 . 17 1 1 A 89 89 ALA HA H 89 4.239 4.234 0.005 1 1 1008 . 17 1 1 A 89 89 ALA CA C 89 52.009 52.401 -0.392 1 1 1009 . 17 1 1 A 89 89 ALA CB C 89 19.761 20.106 -0.345 1 1 1010 . 17 1 1 A 89 89 ALA N N 89 114.850 121.911 -7.061 1 1 1011 . 17 1 1 A 90 90 GLN H H 90 7.231 8.913 -1.682 1 1 1012 . 17 1 1 A 90 90 GLN HA H 90 3.695 3.971 -0.276 1 1 1018 . 17 1 1 A 90 90 GLN CA C 90 59.578 58.273 1.305 1 1 1019 . 17 1 1 A 90 90 GLN CB C 90 28.728 26.372 2.356 1 1 1022 . 17 1 1 A 91 91 ALA H H 91 7.741 8.187 -0.446 1 1 1023 . 17 1 1 A 91 91 ALA HA H 91 4.202 3.612 0.590 1 1 1027 . 17 1 1 A 91 91 ALA CA C 91 54.382 53.935 0.447 1 1 1028 . 17 1 1 A 91 91 ALA CB C 91 18.837 17.674 1.163 1 1 1029 . 17 1 1 A 91 91 ALA N N 91 118.589 121.152 -2.563 1 1 1030 . 17 1 1 A 92 92 ARG H H 92 7.354 7.691 -0.337 1 1 1031 . 17 1 1 A 92 92 ARG HA H 92 4.588 4.454 0.134 1 1 1038 . 17 1 1 A 92 92 ARG CA C 92 55.476 54.969 0.507 1 1 1039 . 17 1 1 A 92 92 ARG CB C 92 30.048 30.569 -0.521 1 1 1042 . 17 1 1 A 93 93 TRP H H 93 7.767 6.822 0.945 1 1 1043 . 17 1 1 A 93 93 TRP HA H 93 4.881 4.392 0.489 1 1 1050 . 17 1 1 A 93 93 TRP CA C 93 57.534 57.191 0.343 1 1 1051 . 17 1 1 A 93 93 TRP CB C 93 29.501 30.023 -0.522 1 1 1052 . 17 1 1 A 93 93 TRP N N 93 121.927 119.363 2.564 1 1 1054 . 17 1 1 A 94 94 CYS HA H 94 3.901 5.245 -1.344 1 1 1057 . 17 1 1 A 94 94 CYS CA C 94 59.577 55.668 3.909 1 1 1058 . 17 1 1 A 94 94 CYS CB C 94 43.446 46.475 -3.029 1 1 1059 . 17 1 1 A 95 95 GLY HA2 H 95 5.122 3.959 1.163 1 1 1060 . 17 1 1 A 95 95 GLY HA3 H 95 3.691 3.963 -0.272 1 1 1061 . 17 1 1 A 95 95 GLY CA C 95 45.511 45.546 -0.035 1 1 1062 . 17 1 1 A 96 96 ALA H H 96 7.504 8.234 -0.730 1 1 1063 . 17 1 1 A 96 96 ALA HA H 96 4.412 4.048 0.364 1 1 1067 . 17 1 1 A 96 96 ALA CA C 96 51.699 52.440 -0.741 1 1 1068 . 17 1 1 A 96 96 ALA CB C 96 21.025 17.675 3.350 1 1 1069 . 17 1 1 A 96 96 ALA N N 96 121.579 122.565 -0.986 1 1 1070 . 17 1 1 A 97 97 ASN H H 97 7.345 8.374 -1.029 1 1 1071 . 17 1 1 A 97 97 ASN HA H 97 4.551 4.821 -0.270 1 1 1076 . 17 1 1 A 97 97 ASN CA C 97 54.929 52.042 2.887 1 1 1077 . 17 1 1 A 97 97 ASN CB C 97 39.071 39.326 -0.255 1 1 1079 . 17 1 1 A 98 98 GLY H H 98 8.890 7.668 1.222 1 1 1080 . 17 1 1 A 98 98 GLY HA2 H 98 3.796 4.022 -0.226 1 1 1081 . 17 1 1 A 98 98 GLY HA3 H 98 4.070 4.024 0.046 1 1 1082 . 17 1 1 A 98 98 GLY C C 98 174.160 174.345 -0.185 1 1 1083 . 17 1 1 A 98 98 GLY CA C 98 45.841 45.443 0.398 1 1 1084 . 17 1 1 A 99 99 ILE H H 99 7.739 7.863 -0.124 1 1 1085 . 17 1 1 A 99 99 ILE HA H 99 4.198 4.272 -0.074 1 1 1095 . 17 1 1 A 99 99 ILE C C 99 175.561 175.436 0.125 1 1 1096 . 17 1 1 A 99 99 ILE CA C 99 60.671 60.386 0.285 1 1 1097 . 17 1 1 A 99 99 ILE CB C 99 38.524 38.670 -0.146 1 1 1101 . 17 1 1 A 99 99 ILE N N 99 120.780 122.255 -1.475 1 1 1102 . 17 1 1 A 100 100 ASP H H 100 8.372 8.485 -0.113 1 1 1103 . 17 1 1 A 100 100 ASP HA H 100 4.426 4.105 0.321 1 1 1106 . 17 1 1 A 100 100 ASP C C 100 176.325 177.654 -1.329 1 1 1107 . 17 1 1 A 100 100 ASP CA C 100 56.023 57.215 -1.192 1 1 1108 . 17 1 1 A 100 100 ASP CB C 100 40.985 40.503 0.482 1 1 1109 . 17 1 1 A 100 100 ASP N N 100 126.194 128.100 -1.906 1 1 1110 . 17 1 1 A 101 101 LYS H H 101 8.081 7.787 0.294 1 1 1111 . 17 1 1 A 101 101 LYS HA H 101 4.052 4.168 -0.116 1 1 1120 . 17 1 1 A 101 101 LYS C C 101 175.874 177.557 -1.683 1 1 1121 . 17 1 1 A 101 101 LYS CA C 101 58.210 58.416 -0.206 1 1 1122 . 17 1 1 A 101 101 LYS CB C 101 31.689 32.202 -0.513 1 1 1126 . 17 1 1 A 101 101 LYS N N 101 115.366 116.776 -1.410 1 1 1127 . 17 1 1 A 102 102 VAL H H 102 7.631 7.656 -0.025 1 1 1128 . 17 1 1 A 102 102 VAL HA H 102 4.419 4.045 0.374 1 1 1136 . 17 1 1 A 102 102 VAL C C 102 175.145 175.733 -0.588 1 1 1137 . 17 1 1 A 102 102 VAL CA C 102 61.919 63.272 -1.353 1 1 1138 . 17 1 1 A 102 102 VAL CB C 102 32.782 32.075 0.707 1 1 1141 . 17 1 1 A 102 102 VAL N N 102 119.362 120.198 -0.836 1 1 1142 . 17 1 1 A 103 103 GLU H H 103 8.489 8.237 0.252 1 1 1143 . 17 1 1 A 103 103 GLU HA H 103 4.931 4.683 0.248 1 1 1148 . 17 1 1 A 103 103 GLU C C 103 175.943 175.515 0.428 1 1 1149 . 17 1 1 A 103 103 GLU CA C 103 55.140 55.056 0.084 1 1 1150 . 17 1 1 A 103 103 GLU CB C 103 33.329 33.761 -0.432 1 1 1152 . 17 1 1 A 103 103 GLU N N 103 126.581 125.832 0.749 1 1 1153 . 17 1 1 A 104 104 THR H H 104 8.690 8.531 0.159 1 1 1154 . 17 1 1 A 104 104 THR HA H 104 5.292 4.972 0.320 1 1 1159 . 17 1 1 A 104 104 THR C C 104 173.165 174.144 -0.979 1 1 1160 . 17 1 1 A 104 104 THR CA C 104 58.757 61.498 -2.741 1 1 1161 . 17 1 1 A 104 104 THR CB C 104 69.967 70.048 -0.081 1 1 1163 . 17 1 1 A 104 104 THR N N 104 114.979 117.440 -2.461 1 1 1164 . 17 1 1 A 105 105 LEU H H 105 8.635 8.809 -0.174 1 1 1165 . 17 1 1 A 105 105 LEU HA H 105 4.979 5.213 -0.234 1 1 1175 . 17 1 1 A 105 105 LEU C C 105 176.985 175.921 1.064 1 1 1176 . 17 1 1 A 105 105 LEU CA C 105 52.849 53.740 -0.891 1 1 1177 . 17 1 1 A 105 105 LEU CB C 105 45.633 45.680 -0.047 1 1 1181 . 17 1 1 A 105 105 LEU N N 105 119.233 125.077 -5.844 1 1 1182 . 17 1 1 A 106 106 SER H H 106 9.670 8.988 0.682 1 1 1183 . 17 1 1 A 106 106 SER HA H 106 5.485 5.368 0.117 1 1 1186 . 17 1 1 A 106 106 SER C C 106 176.256 173.700 2.556 1 1 1187 . 17 1 1 A 106 106 SER CA C 106 56.570 57.528 -0.958 1 1 1188 . 17 1 1 A 106 106 SER CB C 106 65.593 65.016 0.577 1 1 1189 . 17 1 1 A 106 106 SER N N 106 114.979 118.234 -3.255 1 1 1190 . 17 1 1 A 107 107 ASP H H 107 8.764 8.792 -0.028 1 1 1191 . 17 1 1 A 107 107 ASP HA H 107 5.517 4.762 0.755 1 1 1194 . 17 1 1 A 107 107 ASP CA C 107 52.753 54.471 -1.718 1 1 1195 . 17 1 1 A 107 107 ASP CB C 107 45.086 42.295 2.791 1 1 1196 . 17 1 1 A 107 107 ASP N N 107 132.898 124.966 7.932 1 1 1197 . 17 1 1 A 108 108 HIS H H 108 7.940 8.079 -0.139 1 1 1198 . 17 1 1 A 108 108 HIS HA H 108 4.075 4.043 0.032 1 1 1200 . 17 1 1 A 108 108 HIS CA C 108 59.577 58.691 0.886 1 1 1201 . 17 1 1 A 108 108 HIS CB C 108 29.861 30.124 -0.263 1 1 1202 . 17 1 1 A 108 108 HIS N N 108 116.397 119.494 -3.097 1 1 1203 . 17 1 1 A 109 109 ARG HA H 109 4.214 3.935 0.279 1 1 1206 . 17 1 1 A 109 109 ARG CA C 109 59.031 58.992 0.039 1 1 1207 . 17 1 1 A 109 109 ARG CB C 109 27.861 29.919 -2.058 1 1 1208 . 17 1 1 A 110 110 ASP HA H 110 4.867 4.822 0.045 1 1 1211 . 17 1 1 A 110 110 ASP C C 110 175.735 175.986 -0.251 1 1 1212 . 17 1 1 A 110 110 ASP CA C 110 53.708 53.125 0.583 1 1 1213 . 17 1 1 A 110 110 ASP CB C 110 43.875 42.988 0.887 1 1 1214 . 17 1 1 A 111 111 MET H H 111 7.899 8.540 -0.641 1 1 1215 . 17 1 1 A 111 111 MET HA H 111 4.503 4.366 0.137 1 1 1221 . 17 1 1 A 111 111 MET C C 111 177.332 175.755 1.577 1 1 1222 . 17 1 1 A 111 111 MET CA C 111 56.570 56.809 -0.239 1 1 1223 . 17 1 1 A 111 111 MET CB C 111 30.868 30.489 0.379 1 1 1226 . 17 1 1 A 111 111 MET N N 111 116.397 116.882 -0.485 1 1 1227 . 17 1 1 A 112 112 SER H H 112 7.931 8.010 -0.079 1 1 1228 . 17 1 1 A 112 112 SER HA H 112 4.248 4.124 0.124 1 1 1231 . 17 1 1 A 112 112 SER C C 112 179.173 176.003 3.170 1 1 1232 . 17 1 1 A 112 112 SER CA C 112 60.945 62.388 -1.443 1 1 1233 . 17 1 1 A 112 112 SER CB C 112 64.499 62.924 1.575 1 1 1234 . 17 1 1 A 112 112 SER N N 112 113.561 113.945 -0.384 1 1 1235 . 17 1 1 A 113 113 PHE H H 113 10.125 8.357 1.768 1 1 1236 . 17 1 1 A 113 113 PHE HA H 113 3.593 3.938 -0.345 1 1 1241 . 17 1 1 A 113 113 PHE C C 113 177.437 177.872 -0.435 1 1 1242 . 17 1 1 A 113 113 PHE CA C 113 62.312 61.225 1.087 1 1 1243 . 17 1 1 A 113 113 PHE CB C 113 37.704 38.288 -0.584 1 1 1244 . 17 1 1 A 113 113 PHE N N 113 125.550 122.710 2.840 1 1 1245 . 17 1 1 A 114 114 GLY H H 114 10.707 8.864 1.843 1 1 1246 . 17 1 1 A 114 114 GLY HA2 H 114 3.396 3.549 -0.153 1 1 1247 . 17 1 1 A 114 114 GLY HA3 H 114 3.218 3.613 -0.395 1 1 1248 . 17 1 1 A 114 114 GLY C C 114 175.735 175.659 0.076 1 1 1249 . 17 1 1 A 114 114 GLY CA C 114 48.641 47.217 1.424 1 1 1250 . 17 1 1 A 114 114 GLY N N 114 109.178 104.766 4.412 1 1 1251 . 17 1 1 A 115 115 GLU H H 115 8.251 8.333 -0.082 1 1 1252 . 17 1 1 A 115 115 GLU HA H 115 4.431 4.236 0.195 1 1 1257 . 17 1 1 A 115 115 GLU C C 115 178.756 178.670 0.086 1 1 1258 . 17 1 1 A 115 115 GLU CA C 115 59.031 59.114 -0.083 1 1 1259 . 17 1 1 A 115 115 GLU CB C 115 29.775 29.764 0.011 1 1 1261 . 17 1 1 A 115 115 GLU N N 115 120.522 121.601 -1.079 1 1 1262 . 17 1 1 A 116 116 ALA H H 116 7.895 8.323 -0.428 1 1 1263 . 17 1 1 A 116 116 ALA HA H 116 4.111 4.069 0.042 1 1 1267 . 17 1 1 A 116 116 ALA C C 116 177.610 178.737 -1.127 1 1 1268 . 17 1 1 A 116 116 ALA CA C 116 55.476 54.606 0.870 1 1 1269 . 17 1 1 A 116 116 ALA CB C 116 18.838 18.017 0.821 1 1 1270 . 17 1 1 A 116 116 ALA N N 116 123.100 122.291 0.809 1 1 1271 . 17 1 1 A 117 117 PHE H H 117 8.161 7.572 0.589 1 1 1272 . 17 1 1 A 117 117 PHE HA H 117 4.262 4.403 -0.141 1 1 1277 . 17 1 1 A 117 117 PHE C C 117 175.353 175.421 -0.068 1 1 1278 . 17 1 1 A 117 117 PHE CA C 117 56.843 57.366 -0.523 1 1 1279 . 17 1 1 A 117 117 PHE CB C 117 38.251 38.702 -0.451 1 1 1280 . 17 1 1 A 117 117 PHE N N 117 113.432 112.896 0.536 1 1 1281 . 17 1 1 A 118 118 GLY H H 118 7.685 7.771 -0.086 1 1 1282 . 17 1 1 A 118 118 GLY HA2 H 118 3.544 3.993 -0.449 1 1 1283 . 17 1 1 A 118 118 GLY HA3 H 118 4.362 4.020 0.342 1 1 1284 . 17 1 1 A 118 118 GLY C C 118 174.901 175.388 -0.487 1 1 1285 . 17 1 1 A 118 118 GLY CA C 118 47.274 46.659 0.615 1 1 1286 . 17 1 1 A 118 118 GLY N N 118 112.143 108.300 3.843 1 1 1287 . 17 1 1 A 119 119 VAL H H 119 8.380 8.095 0.285 1 1 1288 . 17 1 1 A 119 119 VAL HA H 119 4.788 4.658 0.130 1 1 1296 . 17 1 1 A 119 119 VAL C C 119 174.901 175.563 -0.662 1 1 1297 . 17 1 1 A 119 119 VAL CA C 119 59.532 61.096 -1.564 1 1 1298 . 17 1 1 A 119 119 VAL CB C 119 32.509 32.804 -0.295 1 1 1301 . 17 1 1 A 119 119 VAL N N 119 102.475 116.732 -14.257 1 1 1302 . 17 1 1 A 120 120 TYR H H 120 6.841 7.685 -0.844 1 1 1303 . 17 1 1 A 120 120 TYR HA H 120 4.484 4.648 -0.164 1 1 1308 . 17 1 1 A 120 120 TYR C C 120 173.443 175.228 -1.785 1 1 1309 . 17 1 1 A 120 120 TYR CA C 120 54.929 57.294 -2.365 1 1 1310 . 17 1 1 A 120 120 TYR CB C 120 37.704 38.567 -0.863 1 1 1311 . 17 1 1 A 120 120 TYR N N 120 124.518 124.447 0.071 1 1 1312 . 17 1 1 A 121 121 ILE H H 121 9.244 9.074 0.170 1 1 1313 . 17 1 1 A 121 121 ILE HA H 121 4.419 4.038 0.381 1 1 1323 . 17 1 1 A 121 121 ILE C C 121 176.221 176.462 -0.241 1 1 1324 . 17 1 1 A 121 121 ILE CA C 121 62.014 62.053 -0.039 1 1 1325 . 17 1 1 A 121 121 ILE CB C 121 37.704 37.622 0.082 1 1 1329 . 17 1 1 A 121 121 ILE N N 121 128.772 128.590 0.182 1 1 1330 . 17 1 1 A 122 122 LYS H H 122 9.328 9.039 0.289 1 1 1331 . 17 1 1 A 122 122 LYS HA H 122 3.588 3.574 0.014 1 1 1340 . 17 1 1 A 122 122 LYS C C 122 179.069 177.525 1.544 1 1 1341 . 17 1 1 A 122 122 LYS CA C 122 60.124 59.772 0.352 1 1 1342 . 17 1 1 A 122 122 LYS CB C 122 33.329 32.008 1.321 1 1 1346 . 17 1 1 A 122 122 LYS N N 122 134.955 129.206 5.749 1 1 1347 . 17 1 1 A 123 123 GLU H H 123 10.228 7.775 2.453 1 1 1348 . 17 1 1 A 123 123 GLU HA H 123 3.919 4.086 -0.167 1 1 1353 . 17 1 1 A 123 123 GLU C C 123 176.638 178.631 -1.993 1 1 1354 . 17 1 1 A 123 123 GLU CA C 123 61.218 58.620 2.598 1 1 1355 . 17 1 1 A 123 123 GLU CB C 123 29.228 30.038 -0.810 1 1 1357 . 17 1 1 A 123 123 GLU N N 123 115.624 118.678 -3.054 1 1 1358 . 17 1 1 A 124 124 LEU H H 124 6.480 8.010 -1.530 1 1 1359 . 17 1 1 A 124 124 LEU HA H 124 4.464 3.993 0.471 1 1 1369 . 17 1 1 A 124 124 LEU C C 124 175.403 176.289 -0.886 1 1 1370 . 17 1 1 A 124 124 LEU CA C 124 53.562 57.242 -3.680 1 1 1371 . 17 1 1 A 124 124 LEU CB C 124 44.813 42.040 2.773 1 1 1375 . 17 1 1 A 124 124 LEU N N 124 110.434 120.992 -10.558 1 1 1376 . 17 1 1 A 125 125 ARG H H 125 8.701 7.460 1.241 1 1 1377 . 17 1 1 A 125 125 ARG HA H 125 3.783 4.217 -0.434 1 1 1380 . 17 1 1 A 125 125 ARG C C 125 173.029 174.559 -1.530 1 1 1381 . 17 1 1 A 125 125 ARG CA C 125 57.664 57.347 0.317 1 1 1382 . 17 1 1 A 125 125 ARG CB C 125 30.965 27.061 3.904 1 1 1383 . 17 1 1 A 125 125 ARG N N 125 121.940 116.475 5.465 1 1 1384 . 17 1 1 A 126 126 LEU H H 126 6.671 7.448 -0.777 1 1 1385 . 17 1 1 A 126 126 LEU HA H 126 4.621 4.798 -0.177 1 1 1395 . 17 1 1 A 126 126 LEU C C 126 174.203 176.090 -1.887 1 1 1396 . 17 1 1 A 126 126 LEU CA C 126 51.922 53.237 -1.315 1 1 1397 . 17 1 1 A 126 126 LEU CB C 126 46.727 46.304 0.423 1 1 1401 . 17 1 1 A 126 126 LEU N N 126 111.885 118.673 -6.788 1 1 1402 . 17 1 1 A 127 127 LEU H H 127 8.447 8.687 -0.240 1 1 1403 . 17 1 1 A 127 127 LEU HA H 127 5.153 4.617 0.536 1 1 1413 . 17 1 1 A 127 127 LEU C C 127 175.145 177.394 -2.249 1 1 1414 . 17 1 1 A 127 127 LEU CA C 127 52.742 54.929 -2.187 1 1 1415 . 17 1 1 A 127 127 LEU CB C 127 43.172 42.264 0.908 1 1 1419 . 17 1 1 A 127 127 LEU N N 127 118.983 121.242 -2.259 1 1 1420 . 17 1 1 A 128 128 ALA H H 128 9.160 8.850 0.310 1 1 1421 . 17 1 1 A 128 128 ALA HA H 128 3.843 4.412 -0.569 1 1 1425 . 17 1 1 A 128 128 ALA C C 128 176.603 177.066 -0.463 1 1 1426 . 17 1 1 A 128 128 ALA CA C 128 52.469 52.261 0.208 1 1 1427 . 17 1 1 A 128 128 ALA CB C 128 18.291 19.084 -0.793 1 1 1428 . 17 1 1 A 128 128 ALA N N 128 121.682 126.963 -5.281 1 1 1429 . 17 1 1 A 129 129 ARG H H 129 6.254 8.678 -2.424 1 1 1430 . 17 1 1 A 129 129 ARG HA H 129 4.700 4.757 -0.057 1 1 1436 . 17 1 1 A 129 129 ARG C C 129 176.534 175.202 1.332 1 1 1437 . 17 1 1 A 129 129 ARG CA C 129 55.651 56.640 -0.989 1 1 1438 . 17 1 1 A 129 129 ARG CB C 129 29.775 30.691 -0.916 1 1 1441 . 17 1 1 A 129 129 ARG N N 129 120.393 122.719 -2.326 1 1 1442 . 17 1 1 A 130 130 SER H H 130 8.398 8.661 -0.263 1 1 1443 . 17 1 1 A 130 130 SER HA H 130 4.767 4.858 -0.091 1 1 1446 . 17 1 1 A 130 130 SER C C 130 172.957 172.493 0.464 1 1 1447 . 17 1 1 A 130 130 SER CA C 130 57.658 57.357 0.301 1 1 1448 . 17 1 1 A 130 130 SER CB C 130 63.679 67.752 -4.073 1 1 1449 . 17 1 1 A 130 130 SER N N 130 120.264 122.279 -2.015 1 1 1450 . 17 1 1 A 131 131 VAL H H 131 7.838 7.968 -0.130 1 1 1451 . 17 1 1 A 131 131 VAL HA H 131 5.086 4.854 0.232 1 1 1459 . 17 1 1 A 131 131 VAL C C 131 172.853 172.916 -0.063 1 1 1460 . 17 1 1 A 131 131 VAL CA C 131 60.746 60.148 0.598 1 1 1461 . 17 1 1 A 131 131 VAL CB C 131 36.610 35.341 1.269 1 1 1464 . 17 1 1 A 131 131 VAL N N 131 118.460 120.726 -2.266 1 1 1465 . 17 1 1 A 132 132 PHE H H 132 9.259 9.380 -0.121 1 1 1466 . 17 1 1 A 132 132 PHE HA H 132 5.583 5.398 0.185 1 1 1470 . 17 1 1 A 132 132 PHE C C 132 174.797 174.913 -0.116 1 1 1471 . 17 1 1 A 132 132 PHE CA C 132 56.296 56.203 0.093 1 1 1472 . 17 1 1 A 132 132 PHE CB C 132 44.539 43.852 0.687 1 1 1473 . 17 1 1 A 132 132 PHE N N 132 121.682 124.518 -2.836 1 1 1474 . 17 1 1 A 133 133 VAL H H 133 8.907 8.652 0.255 1 1 1475 . 17 1 1 A 133 133 VAL HA H 133 5.331 5.109 0.222 1 1 1483 . 17 1 1 A 133 133 VAL C C 133 174.450 175.127 -0.677 1 1 1484 . 17 1 1 A 133 133 VAL CA C 133 61.491 60.495 0.996 1 1 1485 . 17 1 1 A 133 133 VAL CB C 133 34.696 35.922 -1.226 1 1 1488 . 17 1 1 A 133 133 VAL N N 133 119.878 120.177 -0.299 1 1 1489 . 17 1 1 A 134 134 LEU H H 134 9.976 9.249 0.727 1 1 1490 . 17 1 1 A 134 134 LEU HA H 134 5.680 5.274 0.406 1 1 1500 . 17 1 1 A 134 134 LEU C C 134 176.777 175.276 1.501 1 1 1501 . 17 1 1 A 134 134 LEU CA C 134 52.195 53.569 -1.374 1 1 1502 . 17 1 1 A 134 134 LEU CB C 134 44.813 45.830 -1.017 1 1 1506 . 17 1 1 A 134 134 LEU N N 134 129.417 126.598 2.819 1 1 1507 . 17 1 1 A 135 135 ASP H H 135 9.051 9.301 -0.250 1 1 1508 . 17 1 1 A 135 135 ASP HA H 135 4.708 4.735 -0.027 1 1 1511 . 17 1 1 A 135 135 ASP C C 135 177.193 177.336 -0.143 1 1 1512 . 17 1 1 A 135 135 ASP CA C 135 52.276 53.708 -1.432 1 1 1513 . 17 1 1 A 135 135 ASP CB C 135 40.711 42.088 -1.377 1 1 1514 . 17 1 1 A 135 135 ASP N N 135 119.362 124.901 -5.539 1 1 1515 . 17 1 1 A 136 136 GLU H H 136 9.970 8.871 1.099 1 1 1516 . 17 1 1 A 136 136 GLU HA H 136 3.953 4.030 -0.077 1 1 1521 . 17 1 1 A 136 136 GLU C C 136 177.055 178.199 -1.144 1 1 1522 . 17 1 1 A 136 136 GLU CA C 136 58.757 59.388 -0.631 1 1 1523 . 17 1 1 A 136 136 GLU CB C 136 28.681 29.336 -0.655 1 1 1525 . 17 1 1 A 136 136 GLU N N 136 116.011 123.986 -7.975 1 1 1526 . 17 1 1 A 137 137 ASN H H 137 8.514 8.466 0.048 1 1 1527 . 17 1 1 A 137 137 ASN HA H 137 5.026 4.795 0.231 1 1 1532 . 17 1 1 A 137 137 ASN C C 137 175.943 175.916 0.027 1 1 1533 . 17 1 1 A 137 137 ASN CA C 137 52.753 53.377 -0.624 1 1 1534 . 17 1 1 A 137 137 ASN CB C 137 40.164 38.800 1.364 1 1 1535 . 17 1 1 A 137 137 ASN N N 137 117.042 115.946 1.096 1 1 1537 . 17 1 1 A 138 138 GLY H H 138 8.430 8.492 -0.062 1 1 1538 . 17 1 1 A 138 138 GLY HA2 H 138 3.690 3.981 -0.291 1 1 1539 . 17 1 1 A 138 138 GLY HA3 H 138 4.213 4.014 0.199 1 1 1540 . 17 1 1 A 138 138 GLY C C 138 172.436 174.338 -1.902 1 1 1541 . 17 1 1 A 138 138 GLY CA C 138 46.180 45.474 0.706 1 1 1542 . 17 1 1 A 138 138 GLY N N 138 109.565 108.861 0.704 1 1 1543 . 17 1 1 A 139 139 LYS H H 139 8.573 7.984 0.589 1 1 1544 . 17 1 1 A 139 139 LYS HA H 139 4.472 4.257 0.215 1 1 1553 . 17 1 1 A 139 139 LYS C C 139 176.742 175.764 0.978 1 1 1554 . 17 1 1 A 139 139 LYS CA C 139 56.195 56.313 -0.118 1 1 1555 . 17 1 1 A 139 139 LYS CB C 139 32.782 32.961 -0.179 1 1 1559 . 17 1 1 A 139 139 LYS N N 139 123.358 122.428 0.930 1 1 1560 . 17 1 1 A 140 140 VAL H H 140 9.102 8.604 0.498 1 1 1561 . 17 1 1 A 140 140 VAL HA H 140 4.293 4.428 -0.135 1 1 1569 . 17 1 1 A 140 140 VAL C C 140 177.124 176.553 0.571 1 1 1570 . 17 1 1 A 140 140 VAL CA C 140 63.952 62.453 1.499 1 1 1571 . 17 1 1 A 140 140 VAL CB C 140 31.142 32.647 -1.505 1 1 1574 . 17 1 1 A 140 140 VAL N N 140 125.292 124.327 0.965 1 1 1575 . 17 1 1 A 141 141 VAL H H 141 9.332 9.441 -0.109 1 1 1576 . 17 1 1 A 141 141 VAL HA H 141 4.670 4.546 0.124 1 1 1584 . 17 1 1 A 141 141 VAL C C 141 175.249 175.432 -0.183 1 1 1585 . 17 1 1 A 141 141 VAL CA C 141 61.491 61.968 -0.477 1 1 1586 . 17 1 1 A 141 141 VAL CB C 141 32.509 33.438 -0.929 1 1 1589 . 17 1 1 A 141 141 VAL N N 141 124.261 122.277 1.984 1 1 1590 . 17 1 1 A 142 142 TYR H H 142 7.959 7.569 0.390 1 1 1591 . 17 1 1 A 142 142 TYR HA H 142 4.389 4.816 -0.427 1 1 1596 . 17 1 1 A 142 142 TYR C C 142 172.262 173.487 -1.225 1 1 1597 . 17 1 1 A 142 142 TYR CA C 142 58.757 58.224 0.533 1 1 1598 . 17 1 1 A 142 142 TYR CB C 142 41.805 41.712 0.093 1 1 1599 . 17 1 1 A 142 142 TYR N N 142 122.198 122.856 -0.658 1 1 1600 . 17 1 1 A 143 143 ALA H H 143 7.642 7.876 -0.234 1 1 1601 . 17 1 1 A 143 143 ALA HA H 143 4.883 4.808 0.075 1 1 1605 . 17 1 1 A 143 143 ALA C C 143 175.353 174.878 0.475 1 1 1606 . 17 1 1 A 143 143 ALA CA C 143 51.703 51.267 0.436 1 1 1607 . 17 1 1 A 143 143 ALA CB C 143 22.666 23.087 -0.421 1 1 1608 . 17 1 1 A 143 143 ALA N N 143 129.804 128.420 1.384 1 1 1609 . 17 1 1 A 144 144 GLU H H 144 8.292 8.201 0.091 1 1 1610 . 17 1 1 A 144 144 GLU HA H 144 4.297 4.858 -0.561 1 1 1615 . 17 1 1 A 144 144 GLU C C 144 173.860 173.932 -0.072 1 1 1616 . 17 1 1 A 144 144 GLU CA C 144 56.296 55.282 1.014 1 1 1617 . 17 1 1 A 144 144 GLU CB C 144 32.509 33.621 -1.112 1 1 1619 . 17 1 1 A 144 144 GLU N N 144 122.198 121.572 0.626 1 1 1620 . 17 1 1 A 145 145 TYR H H 145 9.006 8.994 0.012 1 1 1621 . 17 1 1 A 145 145 TYR HA H 145 4.125 5.090 -0.965 1 1 1626 . 17 1 1 A 145 145 TYR C C 145 175.164 175.504 -0.340 1 1 1627 . 17 1 1 A 145 145 TYR CA C 145 57.117 56.670 0.447 1 1 1628 . 17 1 1 A 145 145 TYR CB C 145 38.251 40.312 -2.061 1 1 1629 . 17 1 1 A 145 145 TYR N N 145 128.128 124.639 3.489 1 1 1630 . 17 1 1 A 146 146 VAL H H 146 7.441 8.674 -1.233 1 1 1631 . 17 1 1 A 146 146 VAL HA H 146 3.672 4.242 -0.570 1 1 1639 . 17 1 1 A 146 146 VAL C C 146 176.777 177.022 -0.245 1 1 1640 . 17 1 1 A 146 146 VAL CA C 146 64.226 62.381 1.845 1 1 1641 . 17 1 1 A 146 146 VAL CB C 146 30.868 32.838 -1.970 1 1 1644 . 17 1 1 A 146 146 VAL N N 146 125.808 125.103 0.705 1 1 1645 . 17 1 1 A 147 147 SER H H 147 8.359 8.623 -0.264 1 1 1646 . 17 1 1 A 147 147 SER HA H 147 4.007 4.399 -0.392 1 1 1649 . 17 1 1 A 147 147 SER C C 147 172.123 174.547 -2.424 1 1 1650 . 17 1 1 A 147 147 SER CA C 147 63.132 60.914 2.218 1 1 1651 . 17 1 1 A 147 147 SER CB C 147 62.859 63.306 -0.447 1 1 1652 . 17 1 1 A 147 147 SER N N 147 121.425 119.090 2.335 1 1 1653 . 17 1 1 A 148 148 GLU H H 148 7.177 8.026 -0.849 1 1 1654 . 17 1 1 A 148 148 GLU HA H 148 5.055 4.975 0.080 1 1 1659 . 17 1 1 A 148 148 GLU C C 148 176.082 176.363 -0.281 1 1 1660 . 17 1 1 A 148 148 GLU CA C 148 52.563 55.533 -2.970 1 1 1661 . 17 1 1 A 148 148 GLU CB C 148 29.774 32.198 -2.424 1 1 1663 . 17 1 1 A 148 148 GLU N N 148 119.620 120.446 -0.826 1 1 1664 . 17 1 1 A 149 149 ALA H H 149 9.142 9.421 -0.279 1 1 1665 . 17 1 1 A 149 149 ALA HA H 149 4.704 4.135 0.569 1 1 1669 . 17 1 1 A 149 149 ALA C C 149 177.437 178.589 -1.152 1 1 1670 . 17 1 1 A 149 149 ALA CA C 149 54.466 54.983 -0.517 1 1 1671 . 17 1 1 A 149 149 ALA CB C 149 19.111 18.732 0.379 1 1 1672 . 17 1 1 A 149 149 ALA N N 149 127.741 129.817 -2.076 1 1 1673 . 17 1 1 A 150 150 THR H H 150 8.200 7.639 0.561 1 1 1674 . 17 1 1 A 150 150 THR HA H 150 4.393 4.425 -0.032 1 1 1679 . 17 1 1 A 150 150 THR C C 150 174.554 173.438 1.116 1 1 1680 . 17 1 1 A 150 150 THR CA C 150 62.312 62.376 -0.064 1 1 1681 . 17 1 1 A 150 150 THR CB C 150 69.694 69.045 0.649 1 1 1683 . 17 1 1 A 150 150 THR N N 150 104.453 106.906 -2.453 1 1 1684 . 17 1 1 A 151 151 ASN H H 151 7.984 7.379 0.605 1 1 1685 . 17 1 1 A 151 151 ASN HA H 151 4.947 5.022 -0.075 1 1 1690 . 17 1 1 A 151 151 ASN C C 151 174.554 173.180 1.374 1 1 1691 . 17 1 1 A 151 151 ASN CA C 151 51.135 51.655 -0.520 1 1 1692 . 17 1 1 A 151 151 ASN CB C 151 39.344 42.376 -3.032 1 1 1693 . 17 1 1 A 151 151 ASN N N 151 123.487 120.457 3.030 1 1 1695 . 17 1 1 A 152 152 HIS H H 152 8.160 8.739 -0.579 1 1 1696 . 17 1 1 A 152 152 HIS HA H 152 4.731 4.881 -0.150 1 1 1700 . 17 1 1 A 152 152 HIS C C 152 174.381 173.160 1.221 1 1 1701 . 17 1 1 A 152 152 HIS CA C 152 54.854 53.868 0.986 1 1 1702 . 17 1 1 A 152 152 HIS CB C 152 31.415 32.025 -0.610 1 1 1703 . 17 1 1 A 152 152 HIS N N 152 116.139 118.277 -2.138 1 1 1704 . 17 1 1 A 153 153 PRO HA H 153 4.335 4.499 -0.164 1 1 1709 . 17 1 1 A 153 153 PRO C C 153 173.894 176.339 -2.445 1 1 1710 . 17 1 1 A 153 153 PRO CA C 153 61.491 62.386 -0.895 1 1 1711 . 17 1 1 A 153 153 PRO CB C 153 32.782 32.353 0.429 1 1 1714 . 17 1 1 A 154 154 ASN H H 154 9.511 8.625 0.886 1 1 1715 . 17 1 1 A 154 154 ASN HA H 154 4.306 4.688 -0.382 1 1 1720 . 17 1 1 A 154 154 ASN C C 154 176.568 176.028 0.540 1 1 1721 . 17 1 1 A 154 154 ASN CA C 154 54.656 52.968 1.688 1 1 1722 . 17 1 1 A 154 154 ASN CB C 154 39.071 38.865 0.206 1 1 1723 . 17 1 1 A 154 154 ASN N N 154 118.718 119.673 -0.955 1 1 1725 . 17 1 1 A 155 155 TYR H H 155 8.691 8.161 0.530 1 1 1726 . 17 1 1 A 155 155 TYR HA H 155 4.364 4.137 0.227 1 1 1731 . 17 1 1 A 155 155 TYR C C 155 176.256 177.305 -1.049 1 1 1732 . 17 1 1 A 155 155 TYR CA C 155 59.304 59.492 -0.188 1 1 1733 . 17 1 1 A 155 155 TYR CB C 155 39.344 37.533 1.811 1 1 1734 . 17 1 1 A 155 155 TYR N N 155 125.421 126.093 -0.672 1 1 1735 . 17 1 1 A 156 156 GLU H H 156 8.200 8.323 -0.123 1 1 1736 . 17 1 1 A 156 156 GLU HA H 156 4.415 3.953 0.462 1 1 1741 . 17 1 1 A 156 156 GLU C C 156 178.583 178.822 -0.239 1 1 1742 . 17 1 1 A 156 156 GLU CA C 156 58.757 59.305 -0.548 1 1 1743 . 17 1 1 A 156 156 GLU CB C 156 30.868 29.011 1.857 1 1 1745 . 17 1 1 A 156 156 GLU N N 156 119.878 119.933 -0.055 1 1 1746 . 17 1 1 A 157 157 LYS H H 157 8.718 7.730 0.988 1 1 1747 . 17 1 1 A 157 157 LYS HA H 157 4.095 4.028 0.067 1 1 1756 . 17 1 1 A 157 157 LYS C C 157 176.152 175.398 0.754 1 1 1757 . 17 1 1 A 157 157 LYS CA C 157 60.398 61.366 -0.968 1 1 1758 . 17 1 1 A 157 157 LYS CB C 157 30.595 30.808 -0.213 1 1 1762 . 17 1 1 A 157 157 LYS N N 157 121.167 119.004 2.163 1 1 1763 . 17 1 1 A 158 158 PRO HA H 158 3.116 3.656 -0.540 1 1 1770 . 17 1 1 A 158 158 PRO C C 158 177.853 179.316 -1.463 1 1 1771 . 17 1 1 A 158 158 PRO CA C 158 65.319 64.604 0.715 1 1 1772 . 17 1 1 A 158 158 PRO CB C 158 30.595 30.609 -0.014 1 1 1775 . 17 1 1 A 159 159 ILE H H 159 6.215 7.301 -1.086 1 1 1776 . 17 1 1 A 159 159 ILE HA H 159 3.594 3.900 -0.306 1 1 1786 . 17 1 1 A 159 159 ILE C C 159 177.610 177.848 -0.238 1 1 1787 . 17 1 1 A 159 159 ILE CA C 159 62.312 64.315 -2.003 1 1 1788 . 17 1 1 A 159 159 ILE CB C 159 35.516 37.973 -2.457 1 1 1792 . 17 1 1 A 159 159 ILE N N 159 113.948 116.745 -2.797 1 1 1793 . 17 1 1 A 160 160 GLU H H 160 7.572 8.454 -0.882 1 1 1794 . 17 1 1 A 160 160 GLU HA H 160 3.876 4.003 -0.127 1 1 1799 . 17 1 1 A 160 160 GLU C C 160 179.277 179.348 -0.071 1 1 1800 . 17 1 1 A 160 160 GLU CA C 160 59.304 59.347 -0.043 1 1 1801 . 17 1 1 A 160 160 GLU CB C 160 29.774 29.346 0.428 1 1 1803 . 17 1 1 A 160 160 GLU N N 160 119.104 120.718 -1.614 1 1 1804 . 17 1 1 A 161 161 ALA H H 161 7.902 7.784 0.118 1 1 1805 . 17 1 1 A 161 161 ALA HA H 161 4.137 4.195 -0.058 1 1 1809 . 17 1 1 A 161 161 ALA C C 161 179.485 180.181 -0.696 1 1 1810 . 17 1 1 A 161 161 ALA CA C 161 54.656 54.946 -0.290 1 1 1811 . 17 1 1 A 161 161 ALA CB C 161 18.017 18.005 0.012 1 1 1812 . 17 1 1 A 161 161 ALA N N 161 120.393 123.273 -2.880 1 1 1813 . 17 1 1 A 162 162 ALA H H 162 7.734 8.050 -0.316 1 1 1814 . 17 1 1 A 162 162 ALA HA H 162 3.950 4.082 -0.132 1 1 1818 . 17 1 1 A 162 162 ALA C C 162 179.485 179.704 -0.219 1 1 1819 . 17 1 1 A 162 162 ALA CA C 162 54.656 55.328 -0.672 1 1 1820 . 17 1 1 A 162 162 ALA CB C 162 19.111 18.218 0.893 1 1 1821 . 17 1 1 A 162 162 ALA N N 162 118.202 120.826 -2.624 1 1 1822 . 17 1 1 A 163 163 LYS H H 163 8.760 8.495 0.265 1 1 1823 . 17 1 1 A 163 163 LYS HA H 163 3.842 3.986 -0.144 1 1 1832 . 17 1 1 A 163 163 LYS C C 163 178.201 179.519 -1.318 1 1 1833 . 17 1 1 A 163 163 LYS CA C 163 59.578 59.248 0.330 1 1 1834 . 17 1 1 A 163 163 LYS CB C 163 32.782 32.170 0.612 1 1 1838 . 17 1 1 A 163 163 LYS N N 163 118.202 116.921 1.281 1 1 1839 . 17 1 1 A 164 164 ALA H H 164 7.216 8.344 -1.128 1 1 1840 . 17 1 1 A 164 164 ALA HA H 164 4.215 4.106 0.109 1 1 1844 . 17 1 1 A 164 164 ALA C C 164 178.339 180.072 -1.733 1 1 1845 . 17 1 1 A 164 164 ALA CA C 164 53.836 54.878 -1.042 1 1 1846 . 17 1 1 A 164 164 ALA CB C 164 18.291 18.476 -0.185 1 1 1847 . 17 1 1 A 164 164 ALA N N 164 117.557 121.914 -4.357 1 1 1848 . 17 1 1 A 165 165 LEU H H 165 7.503 7.751 -0.248 1 1 1849 . 17 1 1 A 165 165 LEU HA H 165 4.432 4.133 0.299 1 1 1859 . 17 1 1 A 165 165 LEU C C 165 177.714 178.866 -1.152 1 1 1860 . 17 1 1 A 165 165 LEU CA C 165 54.929 57.672 -2.743 1 1 1861 . 17 1 1 A 165 165 LEU CB C 165 44.256 42.252 2.004 1 1 1865 . 17 1 1 A 165 165 LEU N N 165 115.753 120.277 -4.524 1 1 1866 . 17 1 1 A 166 166 VAL H H 166 7.337 8.287 -0.950 1 1 1867 . 17 1 1 A 166 166 VAL HA H 166 4.103 3.527 0.576 1 1 1875 . 17 1 1 A 166 166 VAL C C 166 175.040 178.199 -3.159 1 1 1876 . 17 1 1 A 166 166 VAL CA C 166 62.859 66.741 -3.882 1 1 1877 . 17 1 1 A 166 166 VAL CB C 166 32.509 31.791 0.718 1 1 1880 . 17 1 1 A 166 166 VAL N N 166 118.589 117.806 0.783 1 1 1 . 18 1 1 A 2 2 ALA HA H 2 3.876 4.735 -0.859 1 1 5 . 18 1 1 A 2 2 ALA C C 2 172.590 176.375 -3.785 1 1 6 . 18 1 1 A 2 2 ALA CA C 2 51.922 50.817 1.105 1 1 7 . 18 1 1 A 2 2 ALA CB C 2 18.924 19.474 -0.550 1 1 8 . 18 1 1 A 3 3 GLU H H 3 8.262 7.470 0.792 1 1 9 . 18 1 1 A 3 3 GLU HA H 3 4.641 4.380 0.261 1 1 14 . 18 1 1 A 3 3 GLU C C 3 175.157 176.108 -0.951 1 1 15 . 18 1 1 A 3 3 GLU CA C 3 55.476 56.028 -0.552 1 1 16 . 18 1 1 A 3 3 GLU CB C 3 31.142 30.291 0.851 1 1 18 . 18 1 1 A 3 3 GLU N N 3 121.167 116.284 4.883 1 1 19 . 18 1 1 A 4 4 ILE H H 4 9.053 8.624 0.429 1 1 20 . 18 1 1 A 4 4 ILE HA H 4 5.361 4.998 0.363 1 1 30 . 18 1 1 A 4 4 ILE C C 4 175.817 174.871 0.946 1 1 31 . 18 1 1 A 4 4 ILE CA C 4 59.304 59.037 0.267 1 1 32 . 18 1 1 A 4 4 ILE CB C 4 42.079 42.818 -0.739 1 1 36 . 18 1 1 A 4 4 ILE N N 4 124.776 114.452 10.324 1 1 37 . 18 1 1 A 5 5 THR H H 5 8.977 8.340 0.637 1 1 38 . 18 1 1 A 5 5 THR HA H 5 5.141 5.532 -0.391 1 1 43 . 18 1 1 A 5 5 THR C C 5 173.483 173.510 -0.027 1 1 44 . 18 1 1 A 5 5 THR CA C 5 59.304 60.888 -1.584 1 1 45 . 18 1 1 A 5 5 THR CB C 5 73.249 71.790 1.459 1 1 47 . 18 1 1 A 5 5 THR N N 5 112.659 116.236 -3.577 1 1 48 . 18 1 1 A 6 6 PHE H H 6 9.173 9.374 -0.201 1 1 49 . 18 1 1 A 6 6 PHE HA H 6 4.866 4.943 -0.077 1 1 53 . 18 1 1 A 6 6 PHE C C 6 175.591 174.759 0.832 1 1 54 . 18 1 1 A 6 6 PHE CA C 6 58.054 57.465 0.589 1 1 55 . 18 1 1 A 6 6 PHE CB C 6 42.625 42.641 -0.016 1 1 56 . 18 1 1 A 6 6 PHE N N 6 119.362 125.432 -6.070 1 1 57 . 18 1 1 A 7 7 LYS H H 7 11.130 9.682 1.448 1 1 58 . 18 1 1 A 7 7 LYS HA H 7 3.567 3.916 -0.349 1 1 67 . 18 1 1 A 7 7 LYS C C 7 177.661 176.859 0.802 1 1 68 . 18 1 1 A 7 7 LYS CA C 7 57.390 57.273 0.117 1 1 69 . 18 1 1 A 7 7 LYS CB C 7 29.222 30.213 -0.991 1 1 73 . 18 1 1 A 7 7 LYS N N 7 134.058 128.687 5.371 1 1 74 . 18 1 1 A 8 8 GLY H H 8 8.965 8.870 0.095 1 1 75 . 18 1 1 A 8 8 GLY HA2 H 8 4.244 3.888 0.356 1 1 76 . 18 1 1 A 8 8 GLY HA3 H 8 3.528 3.889 -0.361 1 1 77 . 18 1 1 A 8 8 GLY C C 8 173.822 174.400 -0.578 1 1 78 . 18 1 1 A 8 8 GLY CA C 8 45.360 45.877 -0.517 1 1 79 . 18 1 1 A 8 8 GLY N N 8 104.280 104.772 -0.492 1 1 80 . 18 1 1 A 9 9 GLY H H 9 7.942 8.114 -0.172 1 1 81 . 18 1 1 A 9 9 GLY HA2 H 9 4.815 4.293 0.522 1 1 82 . 18 1 1 A 9 9 GLY HA3 H 9 3.715 4.307 -0.592 1 1 83 . 18 1 1 A 9 9 GLY C C 9 171.262 173.013 -1.751 1 1 84 . 18 1 1 A 9 9 GLY CA C 9 43.172 44.489 -1.317 1 1 85 . 18 1 1 A 9 9 GLY N N 9 109.823 107.792 2.031 1 1 86 . 18 1 1 A 10 10 PRO HA H 10 4.640 4.952 -0.312 1 1 93 . 18 1 1 A 10 10 PRO C C 10 177.097 176.434 0.663 1 1 94 . 18 1 1 A 10 10 PRO CA C 10 63.952 62.829 1.123 1 1 95 . 18 1 1 A 10 10 PRO CB C 10 32.509 32.182 0.327 1 1 98 . 18 1 1 A 11 11 VAL H H 11 7.770 8.605 -0.835 1 1 99 . 18 1 1 A 11 11 VAL HA H 11 4.632 4.920 -0.288 1 1 107 . 18 1 1 A 11 11 VAL C C 11 174.462 174.071 0.391 1 1 108 . 18 1 1 A 11 11 VAL CA C 11 59.304 59.468 -0.164 1 1 109 . 18 1 1 A 11 11 VAL CB C 11 35.516 36.037 -0.521 1 1 112 . 18 1 1 A 11 11 VAL N N 11 115.495 116.707 -1.212 1 1 113 . 18 1 1 A 12 12 THR H H 12 10.773 8.642 2.131 1 1 114 . 18 1 1 A 12 12 THR HA H 12 4.425 4.987 -0.562 1 1 119 . 18 1 1 A 12 12 THR C C 12 173.505 173.698 -0.193 1 1 120 . 18 1 1 A 12 12 THR CA C 12 62.312 60.946 1.366 1 1 121 . 18 1 1 A 12 12 THR CB C 12 69.694 71.560 -1.866 1 1 123 . 18 1 1 A 12 12 THR N N 12 121.940 117.590 4.350 1 1 124 . 18 1 1 A 13 13 LEU H H 13 8.524 8.768 -0.244 1 1 125 . 18 1 1 A 13 13 LEU HA H 13 5.132 5.043 0.089 1 1 135 . 18 1 1 A 13 13 LEU C C 13 177.285 177.967 -0.682 1 1 136 . 18 1 1 A 13 13 LEU CA C 13 53.289 53.279 0.010 1 1 137 . 18 1 1 A 13 13 LEU CB C 13 42.352 44.694 -2.342 1 1 141 . 18 1 1 A 13 13 LEU N N 13 125.550 124.161 1.389 1 1 142 . 18 1 1 A 14 14 VAL H H 14 8.962 8.632 0.330 1 1 143 . 18 1 1 A 14 14 VAL HA H 14 3.859 3.884 -0.025 1 1 151 . 18 1 1 A 14 14 VAL C C 14 174.604 176.874 -2.270 1 1 152 . 18 1 1 A 14 14 VAL CA C 14 62.312 64.386 -2.074 1 1 153 . 18 1 1 A 14 14 VAL CB C 14 32.509 31.742 0.767 1 1 156 . 18 1 1 A 14 14 VAL N N 14 126.968 120.531 6.437 1 1 157 . 18 1 1 A 15 15 GLY H H 15 7.838 7.708 0.130 1 1 158 . 18 1 1 A 15 15 GLY HA2 H 15 5.132 4.118 1.014 1 1 159 . 18 1 1 A 15 15 GLY HA3 H 15 3.730 4.136 -0.406 1 1 160 . 18 1 1 A 15 15 GLY C C 15 174.542 173.889 0.653 1 1 161 . 18 1 1 A 15 15 GLY CA C 15 43.446 45.667 -2.221 1 1 162 . 18 1 1 A 15 15 GLY N N 15 110.596 108.171 2.425 1 1 163 . 18 1 1 A 16 16 GLN H H 16 8.247 7.558 0.689 1 1 164 . 18 1 1 A 16 16 GLN HA H 16 4.347 4.004 0.343 1 1 171 . 18 1 1 A 16 16 GLN C C 16 174.876 175.809 -0.933 1 1 172 . 18 1 1 A 16 16 GLN CA C 16 54.656 56.208 -1.552 1 1 173 . 18 1 1 A 16 16 GLN CB C 16 30.321 28.905 1.416 1 1 175 . 18 1 1 A 16 16 GLN N N 16 120.522 118.586 1.936 1 1 177 . 18 1 1 A 17 17 GLU H H 17 8.149 8.724 -0.575 1 1 178 . 18 1 1 A 17 17 GLU HA H 17 3.938 4.151 -0.213 1 1 183 . 18 1 1 A 17 17 GLU C C 17 176.607 176.519 0.088 1 1 184 . 18 1 1 A 17 17 GLU CA C 17 57.117 57.747 -0.630 1 1 185 . 18 1 1 A 17 17 GLU CB C 17 30.321 29.146 1.175 1 1 187 . 18 1 1 A 17 17 GLU N N 17 123.616 120.613 3.003 1 1 188 . 18 1 1 A 18 18 VAL H H 18 8.605 8.299 0.306 1 1 189 . 18 1 1 A 18 18 VAL HA H 18 4.047 3.995 0.052 1 1 197 . 18 1 1 A 18 18 VAL C C 18 174.386 174.881 -0.495 1 1 198 . 18 1 1 A 18 18 VAL CA C 18 61.765 62.773 -1.008 1 1 199 . 18 1 1 A 18 18 VAL CB C 18 32.782 32.631 0.151 1 1 202 . 18 1 1 A 18 18 VAL N N 18 125.936 120.623 5.313 1 1 203 . 18 1 1 A 19 19 LYS H H 19 8.461 8.736 -0.275 1 1 204 . 18 1 1 A 19 19 LYS HA H 19 4.624 4.924 -0.300 1 1 213 . 18 1 1 A 19 19 LYS C C 19 176.457 174.858 1.599 1 1 214 . 18 1 1 A 19 19 LYS CA C 19 53.562 54.539 -0.977 1 1 215 . 18 1 1 A 19 19 LYS CB C 19 34.423 36.034 -1.611 1 1 219 . 18 1 1 A 19 19 LYS N N 19 123.874 125.572 -1.698 1 1 220 . 18 1 1 A 20 20 VAL H H 20 8.349 8.463 -0.114 1 1 221 . 18 1 1 A 20 20 VAL HA H 20 3.421 4.032 -0.611 1 1 229 . 18 1 1 A 20 20 VAL C C 20 177.624 176.894 0.730 1 1 230 . 18 1 1 A 20 20 VAL CA C 20 65.593 63.441 2.152 1 1 231 . 18 1 1 A 20 20 VAL CB C 20 31.415 31.561 -0.146 1 1 234 . 18 1 1 A 20 20 VAL N N 20 120.393 122.350 -1.957 1 1 235 . 18 1 1 A 21 21 GLY H H 21 9.338 9.347 -0.009 1 1 236 . 18 1 1 A 21 21 GLY HA2 H 21 4.566 4.029 0.537 1 1 237 . 18 1 1 A 21 21 GLY HA3 H 21 3.536 4.033 -0.497 1 1 238 . 18 1 1 A 21 21 GLY C C 21 174.160 174.397 -0.237 1 1 239 . 18 1 1 A 21 21 GLY CA C 21 44.539 45.221 -0.682 1 1 240 . 18 1 1 A 21 21 GLY N N 21 117.429 117.879 -0.450 1 1 241 . 18 1 1 A 22 22 ASP H H 22 8.222 8.039 0.183 1 1 242 . 18 1 1 A 22 22 ASP HA H 22 4.650 4.602 0.048 1 1 245 . 18 1 1 A 22 22 ASP C C 22 176.231 175.723 0.508 1 1 246 . 18 1 1 A 22 22 ASP CA C 22 54.382 54.165 0.217 1 1 247 . 18 1 1 A 22 22 ASP CB C 22 40.985 41.411 -0.426 1 1 248 . 18 1 1 A 22 22 ASP N N 22 121.811 121.574 0.237 1 1 249 . 18 1 1 A 23 23 GLN H H 23 8.598 7.987 0.611 1 1 250 . 18 1 1 A 23 23 GLN HA H 23 4.224 4.299 -0.075 1 1 257 . 18 1 1 A 23 23 GLN C C 23 175.892 174.442 1.450 1 1 258 . 18 1 1 A 23 23 GLN CA C 23 55.203 58.193 -2.990 1 1 259 . 18 1 1 A 23 23 GLN CB C 23 28.954 27.828 1.126 1 1 261 . 18 1 1 A 23 23 GLN N N 23 119.491 117.066 2.425 1 1 263 . 18 1 1 A 24 24 ALA H H 24 8.664 8.346 0.318 1 1 264 . 18 1 1 A 24 24 ALA HA H 24 4.030 4.615 -0.585 1 1 268 . 18 1 1 A 24 24 ALA C C 24 174.386 174.791 -0.405 1 1 269 . 18 1 1 A 24 24 ALA CA C 24 51.101 49.307 1.794 1 1 270 . 18 1 1 A 24 24 ALA CB C 24 19.111 22.381 -3.270 1 1 271 . 18 1 1 A 24 24 ALA N N 24 129.804 122.462 7.342 1 1 272 . 18 1 1 A 25 25 PRO HA H 25 4.422 4.587 -0.165 1 1 279 . 18 1 1 A 25 25 PRO C C 25 173.596 176.146 -2.550 1 1 280 . 18 1 1 A 25 25 PRO CA C 25 61.765 62.553 -0.788 1 1 281 . 18 1 1 A 25 25 PRO CB C 25 32.509 32.128 0.381 1 1 284 . 18 1 1 A 26 26 ASP H H 26 7.546 8.626 -1.080 1 1 285 . 18 1 1 A 26 26 ASP HA H 26 4.411 4.410 0.001 1 1 288 . 18 1 1 A 26 26 ASP C C 26 175.591 175.028 0.563 1 1 289 . 18 1 1 A 26 26 ASP CA C 26 54.656 52.601 2.055 1 1 290 . 18 1 1 A 26 26 ASP CB C 26 42.625 38.997 3.628 1 1 291 . 18 1 1 A 26 26 ASP N N 26 114.979 122.685 -7.706 1 1 292 . 18 1 1 A 27 27 PHE H H 27 7.379 7.903 -0.524 1 1 293 . 18 1 1 A 27 27 PHE HA H 27 4.659 4.489 0.170 1 1 295 . 18 1 1 A 27 27 PHE C C 27 173.407 175.044 -1.637 1 1 296 . 18 1 1 A 27 27 PHE CA C 27 56.570 56.922 -0.352 1 1 297 . 18 1 1 A 27 27 PHE CB C 27 39.891 39.711 0.180 1 1 298 . 18 1 1 A 27 27 PHE N N 27 113.561 120.955 -7.394 1 1 299 . 18 1 1 A 28 28 THR H H 28 8.540 8.711 -0.171 1 1 300 . 18 1 1 A 28 28 THR HA H 28 4.936 5.435 -0.499 1 1 305 . 18 1 1 A 28 28 THR C C 28 173.443 174.356 -0.913 1 1 306 . 18 1 1 A 28 28 THR CA C 28 62.889 61.557 1.332 1 1 307 . 18 1 1 A 28 28 THR CB C 28 72.155 71.575 0.580 1 1 309 . 18 1 1 A 28 28 THR N N 28 114.593 114.171 0.422 1 1 310 . 18 1 1 A 29 29 VAL H H 29 9.120 9.483 -0.363 1 1 311 . 18 1 1 A 29 29 VAL HA H 29 4.863 5.111 -0.248 1 1 319 . 18 1 1 A 29 29 VAL C C 29 173.558 173.330 0.228 1 1 320 . 18 1 1 A 29 29 VAL CA C 29 59.527 59.351 0.176 1 1 321 . 18 1 1 A 29 29 VAL CB C 29 35.243 36.390 -1.147 1 1 324 . 18 1 1 A 29 29 VAL N N 29 119.233 118.939 0.294 1 1 325 . 18 1 1 A 30 30 LEU H H 30 8.565 8.684 -0.119 1 1 326 . 18 1 1 A 30 30 LEU HA H 30 5.615 5.076 0.539 1 1 336 . 18 1 1 A 30 30 LEU C C 30 180.310 176.450 3.860 1 1 337 . 18 1 1 A 30 30 LEU CA C 30 53.562 53.700 -0.138 1 1 338 . 18 1 1 A 30 30 LEU CB C 30 47.547 45.374 2.173 1 1 342 . 18 1 1 A 30 30 LEU N N 30 117.429 123.854 -6.425 1 1 343 . 18 1 1 A 31 31 THR H H 31 9.587 8.940 0.647 1 1 344 . 18 1 1 A 31 31 THR HA H 31 4.741 4.783 -0.042 1 1 349 . 18 1 1 A 31 31 THR C C 31 176.457 176.325 0.132 1 1 350 . 18 1 1 A 31 31 THR CA C 31 60.632 60.722 -0.090 1 1 351 . 18 1 1 A 31 31 THR CB C 31 71.451 71.636 -0.185 1 1 353 . 18 1 1 A 31 31 THR N N 31 114.721 115.722 -1.001 1 1 354 . 18 1 1 A 32 32 ASN H H 32 9.812 9.031 0.781 1 1 355 . 18 1 1 A 32 32 ASN HA H 32 4.352 4.487 -0.135 1 1 358 . 18 1 1 A 32 32 ASN C C 32 175.252 175.833 -0.581 1 1 359 . 18 1 1 A 32 32 ASN CA C 32 55.476 55.615 -0.139 1 1 360 . 18 1 1 A 32 32 ASN CB C 32 38.524 37.776 0.748 1 1 361 . 18 1 1 A 32 32 ASN N N 32 118.460 119.890 -1.430 1 1 362 . 18 1 1 A 33 33 SER H H 33 7.782 7.818 -0.036 1 1 363 . 18 1 1 A 33 33 SER HA H 33 4.562 4.380 0.182 1 1 366 . 18 1 1 A 33 33 SER C C 33 173.822 174.336 -0.514 1 1 367 . 18 1 1 A 33 33 SER CA C 33 57.390 58.708 -1.318 1 1 368 . 18 1 1 A 33 33 SER CB C 33 62.859 63.684 -0.825 1 1 369 . 18 1 1 A 33 33 SER N N 33 110.725 111.989 -1.264 1 1 370 . 18 1 1 A 34 34 LEU H H 34 8.342 7.981 0.361 1 1 371 . 18 1 1 A 34 34 LEU HA H 34 3.686 3.777 -0.091 1 1 381 . 18 1 1 A 34 34 LEU C C 34 175.516 175.259 0.257 1 1 382 . 18 1 1 A 34 34 LEU CA C 34 57.117 56.233 0.884 1 1 383 . 18 1 1 A 34 34 LEU CB C 34 37.430 39.966 -2.536 1 1 387 . 18 1 1 A 34 34 LEU N N 34 116.913 118.506 -1.593 1 1 388 . 18 1 1 A 35 35 GLU H H 35 7.538 7.859 -0.321 1 1 389 . 18 1 1 A 35 35 GLU HA H 35 4.546 4.877 -0.331 1 1 394 . 18 1 1 A 35 35 GLU C C 35 176.005 175.518 0.487 1 1 395 . 18 1 1 A 35 35 GLU CA C 35 54.929 54.596 0.333 1 1 396 . 18 1 1 A 35 35 GLU CB C 35 30.868 33.062 -2.194 1 1 398 . 18 1 1 A 35 35 GLU N N 35 117.429 116.819 0.610 1 1 399 . 18 1 1 A 36 36 GLU H H 36 8.681 8.526 0.155 1 1 400 . 18 1 1 A 36 36 GLU HA H 36 4.740 4.737 0.003 1 1 405 . 18 1 1 A 36 36 GLU C C 36 176.833 176.016 0.817 1 1 406 . 18 1 1 A 36 36 GLU CA C 36 56.923 57.226 -0.303 1 1 407 . 18 1 1 A 36 36 GLU CB C 36 30.868 30.416 0.452 1 1 409 . 18 1 1 A 36 36 GLU N N 36 121.296 121.932 -0.636 1 1 410 . 18 1 1 A 37 37 LYS H H 37 9.122 8.433 0.689 1 1 411 . 18 1 1 A 37 37 LYS HA H 37 4.639 4.923 -0.284 1 1 420 . 18 1 1 A 37 37 LYS C C 37 173.671 174.406 -0.735 1 1 421 . 18 1 1 A 37 37 LYS CA C 37 55.476 55.447 0.029 1 1 422 . 18 1 1 A 37 37 LYS CB C 37 35.243 36.523 -1.280 1 1 426 . 18 1 1 A 37 37 LYS N N 37 125.292 123.107 2.185 1 1 427 . 18 1 1 A 38 38 SER H H 38 9.337 8.469 0.868 1 1 428 . 18 1 1 A 38 38 SER HA H 38 5.310 5.015 0.295 1 1 431 . 18 1 1 A 38 38 SER C C 38 175.102 174.551 0.551 1 1 432 . 18 1 1 A 38 38 SER CA C 38 56.296 56.010 0.286 1 1 433 . 18 1 1 A 38 38 SER CB C 38 67.233 66.291 0.942 1 1 434 . 18 1 1 A 38 38 SER N N 38 121.811 117.946 3.865 1 1 435 . 18 1 1 A 39 39 LEU H H 39 7.023 7.965 -0.942 1 1 436 . 18 1 1 A 39 39 LEU HA H 39 3.872 3.719 0.153 1 1 446 . 18 1 1 A 39 39 LEU C C 39 179.845 178.284 1.561 1 1 447 . 18 1 1 A 39 39 LEU CA C 39 58.210 58.017 0.193 1 1 448 . 18 1 1 A 39 39 LEU CB C 39 40.711 40.803 -0.092 1 1 452 . 18 1 1 A 39 39 LEU N N 39 121.811 122.466 -0.655 1 1 453 . 18 1 1 A 40 40 ALA H H 40 8.447 8.030 0.417 1 1 454 . 18 1 1 A 40 40 ALA HA H 40 3.890 4.026 -0.136 1 1 458 . 18 1 1 A 40 40 ALA C C 40 179.995 179.835 0.160 1 1 459 . 18 1 1 A 40 40 ALA CA C 40 55.203 54.565 0.638 1 1 460 . 18 1 1 A 40 40 ALA CB C 40 18.291 18.189 0.102 1 1 461 . 18 1 1 A 40 40 ALA N N 40 119.362 119.398 -0.036 1 1 462 . 18 1 1 A 41 41 ASP H H 41 7.517 7.891 -0.374 1 1 463 . 18 1 1 A 41 41 ASP HA H 41 4.469 4.368 0.101 1 1 466 . 18 1 1 A 41 41 ASP C C 41 176.720 178.829 -2.109 1 1 467 . 18 1 1 A 41 41 ASP CA C 41 56.296 56.758 -0.462 1 1 468 . 18 1 1 A 41 41 ASP CB C 41 42.079 40.613 1.466 1 1 469 . 18 1 1 A 41 41 ASP N N 41 114.850 118.837 -3.987 1 1 470 . 18 1 1 A 42 42 MET H H 42 7.989 8.132 -0.143 1 1 471 . 18 1 1 A 42 42 MET HA H 42 4.336 4.437 -0.101 1 1 479 . 18 1 1 A 42 42 MET C C 42 175.440 177.389 -1.949 1 1 480 . 18 1 1 A 42 42 MET CA C 42 56.843 58.191 -1.348 1 1 481 . 18 1 1 A 42 42 MET CB C 42 31.962 32.635 -0.673 1 1 484 . 18 1 1 A 42 42 MET N N 42 118.847 116.329 2.518 1 1 485 . 18 1 1 A 43 43 LYS H H 43 6.901 7.618 -0.717 1 1 486 . 18 1 1 A 43 43 LYS HA H 43 4.265 4.294 -0.029 1 1 494 . 18 1 1 A 43 43 LYS C C 43 177.435 177.435 0.000 1 1 495 . 18 1 1 A 43 43 LYS CA C 43 57.664 58.525 -0.861 1 1 496 . 18 1 1 A 43 43 LYS CB C 43 33.329 32.430 0.899 1 1 500 . 18 1 1 A 43 43 LYS N N 43 116.913 119.491 -2.578 1 1 501 . 18 1 1 A 44 44 GLY H H 44 9.268 9.081 0.187 1 1 502 . 18 1 1 A 44 44 GLY HA2 H 44 3.692 4.024 -0.332 1 1 503 . 18 1 1 A 44 44 GLY HA3 H 44 4.596 4.028 0.568 1 1 504 . 18 1 1 A 44 44 GLY C C 44 173.671 173.389 0.282 1 1 505 . 18 1 1 A 44 44 GLY CA C 44 44.813 45.250 -0.437 1 1 506 . 18 1 1 A 44 44 GLY N N 44 111.112 112.718 -1.606 1 1 507 . 18 1 1 A 45 45 LYS H H 45 7.516 7.329 0.187 1 1 508 . 18 1 1 A 45 45 LYS HA H 45 4.754 4.792 -0.038 1 1 515 . 18 1 1 A 45 45 LYS C C 45 175.214 174.912 0.302 1 1 516 . 18 1 1 A 45 45 LYS CA C 45 54.820 54.923 -0.103 1 1 517 . 18 1 1 A 45 45 LYS CB C 45 36.883 35.976 0.907 1 1 521 . 18 1 1 A 45 45 LYS N N 45 117.944 120.895 -2.951 1 1 522 . 18 1 1 A 46 46 VAL H H 46 8.887 8.649 0.238 1 1 523 . 18 1 1 A 46 46 VAL HA H 46 3.950 4.206 -0.256 1 1 531 . 18 1 1 A 46 46 VAL C C 46 174.876 175.380 -0.504 1 1 532 . 18 1 1 A 46 46 VAL CA C 46 64.773 63.403 1.370 1 1 533 . 18 1 1 A 46 46 VAL CB C 46 31.962 32.236 -0.274 1 1 536 . 18 1 1 A 46 46 VAL N N 46 124.776 123.991 0.785 1 1 537 . 18 1 1 A 47 47 THR H H 47 8.956 8.859 0.097 1 1 538 . 18 1 1 A 47 47 THR HA H 47 5.300 5.356 -0.056 1 1 543 . 18 1 1 A 47 47 THR C C 47 172.579 173.590 -1.011 1 1 544 . 18 1 1 A 47 47 THR CA C 47 62.312 61.327 0.985 1 1 545 . 18 1 1 A 47 47 THR CB C 47 73.249 72.191 1.058 1 1 547 . 18 1 1 A 47 47 THR N N 47 124.132 121.875 2.257 1 1 548 . 18 1 1 A 48 48 ILE H H 48 9.160 8.740 0.420 1 1 549 . 18 1 1 A 48 48 ILE HA H 48 4.740 4.935 -0.195 1 1 559 . 18 1 1 A 48 48 ILE C C 48 173.972 175.164 -1.192 1 1 560 . 18 1 1 A 48 48 ILE CA C 48 61.441 60.166 1.275 1 1 561 . 18 1 1 A 48 48 ILE CB C 48 40.438 41.930 -1.492 1 1 565 . 18 1 1 A 48 48 ILE N N 48 128.515 124.482 4.033 1 1 566 . 18 1 1 A 49 49 ILE H H 49 9.507 9.150 0.357 1 1 567 . 18 1 1 A 49 49 ILE HA H 49 4.883 5.187 -0.304 1 1 577 . 18 1 1 A 49 49 ILE C C 49 174.650 174.282 0.368 1 1 578 . 18 1 1 A 49 49 ILE CA C 49 60.773 60.301 0.472 1 1 579 . 18 1 1 A 49 49 ILE CB C 49 41.532 41.877 -0.345 1 1 583 . 18 1 1 A 49 49 ILE N N 49 126.194 127.295 -1.101 1 1 584 . 18 1 1 A 50 50 SER H H 50 9.079 8.996 0.083 1 1 585 . 18 1 1 A 50 50 SER HA H 50 5.138 5.386 -0.248 1 1 588 . 18 1 1 A 50 50 SER C C 50 172.692 172.685 0.007 1 1 589 . 18 1 1 A 50 50 SER CA C 50 56.843 56.874 -0.031 1 1 590 . 18 1 1 A 50 50 SER CB C 50 64.773 65.511 -0.738 1 1 591 . 18 1 1 A 50 50 SER N N 50 121.940 123.226 -1.286 1 1 592 . 18 1 1 A 51 51 VAL H H 51 9.010 8.578 0.432 1 1 593 . 18 1 1 A 51 51 VAL HA H 51 4.873 5.051 -0.178 1 1 601 . 18 1 1 A 51 51 VAL CA C 51 61.595 59.984 1.611 1 1 602 . 18 1 1 A 51 51 VAL CB C 51 32.509 35.832 -3.323 1 1 605 . 18 1 1 A 51 51 VAL N N 51 128.128 123.273 4.855 1 1 606 . 18 1 1 A 52 52 ILE H H 52 8.182 8.742 -0.560 1 1 607 . 18 1 1 A 52 52 ILE HA H 52 4.862 4.810 0.052 1 1 616 . 18 1 1 A 52 52 ILE CA C 52 58.026 57.596 0.430 1 1 617 . 18 1 1 A 52 52 ILE CB C 52 43.172 40.467 2.705 1 1 621 . 18 1 1 A 52 52 ILE N N 52 124.776 124.169 0.607 1 1 622 . 18 1 1 A 53 53 PRO HA H 53 4.904 4.598 0.306 1 1 629 . 18 1 1 A 53 53 PRO CA C 53 65.560 64.993 0.567 1 1 630 . 18 1 1 A 53 53 PRO CB C 53 31.826 32.347 -0.521 1 1 633 . 18 1 1 A 54 54 SER H H 54 7.214 7.693 -0.479 1 1 634 . 18 1 1 A 54 54 SER HA H 54 5.100 4.801 0.299 1 1 637 . 18 1 1 A 54 54 SER CA C 54 57.417 57.343 0.074 1 1 638 . 18 1 1 A 54 54 SER CB C 54 65.195 65.604 -0.409 1 1 639 . 18 1 1 A 54 54 SER N N 54 107.901 107.295 0.606 1 1 640 . 18 1 1 A 55 55 ILE H H 55 7.330 8.894 -1.564 1 1 641 . 18 1 1 A 55 55 ILE HA H 55 5.075 3.945 1.130 1 1 651 . 18 1 1 A 55 55 ILE CA C 55 61.734 64.537 -2.803 1 1 652 . 18 1 1 A 55 55 ILE CB C 55 36.233 37.837 -1.604 1 1 656 . 18 1 1 A 56 56 ASP H H 56 8.699 7.768 0.931 1 1 657 . 18 1 1 A 56 56 ASP HA H 56 5.075 4.494 0.581 1 1 660 . 18 1 1 A 56 56 ASP CA C 56 54.407 56.088 -1.681 1 1 661 . 18 1 1 A 56 56 ASP CB C 56 42.832 40.966 1.866 1 1 662 . 18 1 1 A 56 56 ASP N N 56 121.940 121.570 0.370 1 1 663 . 18 1 1 A 57 57 THR H H 57 7.294 7.521 -0.227 1 1 664 . 18 1 1 A 57 57 THR HA H 57 4.323 4.280 0.043 1 1 669 . 18 1 1 A 57 57 THR C C 57 175.440 174.966 0.474 1 1 670 . 18 1 1 A 57 57 THR CA C 57 61.765 64.399 -2.634 1 1 671 . 18 1 1 A 57 57 THR CB C 57 69.421 69.705 -0.284 1 1 673 . 18 1 1 A 57 57 THR N N 57 108.921 114.466 -5.545 1 1 674 . 18 1 1 A 58 58 GLY H H 58 8.215 7.814 0.401 1 1 675 . 18 1 1 A 58 58 GLY HA2 H 58 4.012 4.008 0.004 1 1 676 . 18 1 1 A 58 58 GLY HA3 H 58 4.012 4.089 -0.077 1 1 677 . 18 1 1 A 58 58 GLY C C 58 173.520 175.763 -2.243 1 1 678 . 18 1 1 A 58 58 GLY CA C 58 45.360 45.484 -0.124 1 1 679 . 18 1 1 A 58 58 GLY N N 58 110.969 109.009 1.960 1 1 680 . 18 1 1 A 59 59 VAL H H 59 7.976 8.036 -0.060 1 1 681 . 18 1 1 A 59 59 VAL HA H 59 4.307 3.792 0.515 1 1 689 . 18 1 1 A 59 59 VAL C C 59 175.854 177.658 -1.804 1 1 690 . 18 1 1 A 59 59 VAL CA C 59 61.765 65.676 -3.911 1 1 691 . 18 1 1 A 59 59 VAL CB C 59 33.329 30.759 2.570 1 1 694 . 18 1 1 A 59 59 VAL N N 59 118.501 119.976 -1.475 1 1 696 . 18 1 1 A 61 61 ASP HA H 61 4.323 4.107 0.216 1 1 697 . 18 1 1 A 61 61 ASP CA C 61 54.382 56.638 -2.256 1 1 698 . 18 1 1 A 61 61 ASP CB C 61 39.142 40.667 -1.525 1 1 699 . 18 1 1 A 62 62 ALA H H 62 8.663 8.004 0.659 1 1 700 . 18 1 1 A 62 62 ALA HA H 62 3.971 3.960 0.011 1 1 704 . 18 1 1 A 62 62 ALA C C 62 180.485 177.988 2.497 1 1 705 . 18 1 1 A 62 62 ALA CA C 62 55.203 54.158 1.045 1 1 706 . 18 1 1 A 62 62 ALA CB C 62 18.838 18.678 0.160 1 1 707 . 18 1 1 A 63 63 GLN H H 63 8.550 7.774 0.776 1 1 708 . 18 1 1 A 63 63 GLN HA H 63 3.865 4.512 -0.647 1 1 715 . 18 1 1 A 63 63 GLN C C 63 178.527 177.510 1.017 1 1 716 . 18 1 1 A 63 63 GLN CA C 63 59.346 57.226 2.120 1 1 717 . 18 1 1 A 63 63 GLN CB C 63 28.635 31.137 -2.502 1 1 719 . 18 1 1 A 63 63 GLN N N 63 117.429 116.562 0.867 1 1 721 . 18 1 1 A 64 64 THR H H 64 8.121 8.400 -0.279 1 1 722 . 18 1 1 A 64 64 THR HA H 64 3.624 3.965 -0.341 1 1 727 . 18 1 1 A 64 64 THR C C 64 178.527 176.117 2.410 1 1 728 . 18 1 1 A 64 64 THR CA C 64 66.686 67.206 -0.520 1 1 729 . 18 1 1 A 64 64 THR CB C 64 68.600 68.460 0.140 1 1 731 . 18 1 1 A 64 64 THR N N 64 118.460 115.298 3.162 1 1 732 . 18 1 1 A 65 65 ARG H H 65 7.530 8.144 -0.614 1 1 733 . 18 1 1 A 65 65 ARG HA H 65 3.904 3.804 0.100 1 1 739 . 18 1 1 A 65 65 ARG CA C 65 59.507 58.911 0.596 1 1 740 . 18 1 1 A 65 65 ARG CB C 65 29.637 29.487 0.150 1 1 743 . 18 1 1 A 66 66 ARG H H 66 7.972 7.784 0.188 1 1 744 . 18 1 1 A 66 66 ARG HA H 66 4.056 4.139 -0.083 1 1 751 . 18 1 1 A 66 66 ARG C C 66 177.624 178.259 -0.635 1 1 752 . 18 1 1 A 66 66 ARG CA C 66 59.031 57.921 1.110 1 1 753 . 18 1 1 A 66 66 ARG CB C 66 29.228 30.771 -1.543 1 1 756 . 18 1 1 A 66 66 ARG N N 66 118.460 119.036 -0.576 1 1 757 . 18 1 1 A 67 67 PHE H H 67 7.673 8.320 -0.647 1 1 758 . 18 1 1 A 67 67 PHE HA H 67 4.260 3.834 0.426 1 1 763 . 18 1 1 A 67 67 PHE C C 67 176.043 177.805 -1.762 1 1 764 . 18 1 1 A 67 67 PHE CA C 67 60.945 61.227 -0.282 1 1 765 . 18 1 1 A 67 67 PHE CB C 67 39.071 38.878 0.193 1 1 766 . 18 1 1 A 67 67 PHE N N 67 119.362 120.473 -1.111 1 1 767 . 18 1 1 A 68 68 ASN H H 68 7.688 8.346 -0.658 1 1 768 . 18 1 1 A 68 68 ASN HA H 68 4.150 3.957 0.193 1 1 771 . 18 1 1 A 68 68 ASN C C 68 177.172 177.640 -0.468 1 1 772 . 18 1 1 A 68 68 ASN CA C 68 55.750 55.594 0.156 1 1 773 . 18 1 1 A 68 68 ASN CB C 68 37.977 38.193 -0.216 1 1 774 . 18 1 1 A 68 68 ASN N N 68 117.042 117.390 -0.348 1 1 775 . 18 1 1 A 69 69 GLU H H 69 8.185 7.974 0.211 1 1 776 . 18 1 1 A 69 69 GLU HA H 69 3.848 3.944 -0.096 1 1 781 . 18 1 1 A 69 69 GLU C C 69 179.468 178.601 0.867 1 1 782 . 18 1 1 A 69 69 GLU CA C 69 59.577 59.195 0.382 1 1 783 . 18 1 1 A 69 69 GLU CB C 69 30.321 29.277 1.044 1 1 785 . 18 1 1 A 69 69 GLU N N 69 118.975 119.430 -0.455 1 1 786 . 18 1 1 A 70 70 GLU H H 70 8.671 8.475 0.196 1 1 787 . 18 1 1 A 70 70 GLU HA H 70 3.807 4.011 -0.204 1 1 792 . 18 1 1 A 70 70 GLU C C 70 179.468 178.109 1.359 1 1 793 . 18 1 1 A 70 70 GLU CA C 70 58.757 59.457 -0.700 1 1 794 . 18 1 1 A 70 70 GLU CB C 70 29.501 29.429 0.072 1 1 796 . 18 1 1 A 70 70 GLU N N 70 118.975 119.695 -0.720 1 1 797 . 18 1 1 A 71 71 ALA H H 71 8.418 8.254 0.164 1 1 798 . 18 1 1 A 71 71 ALA HA H 71 3.616 3.938 -0.322 1 1 802 . 18 1 1 A 71 71 ALA C C 71 178.226 180.139 -1.913 1 1 803 . 18 1 1 A 71 71 ALA CA C 71 54.656 54.901 -0.245 1 1 804 . 18 1 1 A 71 71 ALA CB C 71 18.017 18.013 0.004 1 1 805 . 18 1 1 A 71 71 ALA N N 71 122.069 121.439 0.630 1 1 806 . 18 1 1 A 72 72 ALA H H 72 7.520 7.887 -0.367 1 1 807 . 18 1 1 A 72 72 ALA HA H 72 3.842 4.004 -0.162 1 1 811 . 18 1 1 A 72 72 ALA C C 72 179.280 177.980 1.300 1 1 812 . 18 1 1 A 72 72 ALA CA C 72 54.109 53.974 0.135 1 1 813 . 18 1 1 A 72 72 ALA CB C 72 18.564 18.233 0.331 1 1 814 . 18 1 1 A 72 72 ALA N N 72 116.139 119.368 -3.229 1 1 815 . 18 1 1 A 73 73 LYS H H 73 7.302 7.942 -0.640 1 1 816 . 18 1 1 A 73 73 LYS HA H 73 4.129 4.511 -0.382 1 1 825 . 18 1 1 A 73 73 LYS C C 73 177.661 177.627 0.034 1 1 826 . 18 1 1 A 73 73 LYS CA C 73 57.116 56.666 0.450 1 1 827 . 18 1 1 A 73 73 LYS CB C 73 32.782 33.001 -0.219 1 1 831 . 18 1 1 A 73 73 LYS N N 73 114.850 114.620 0.230 1 1 832 . 18 1 1 A 74 74 LEU H H 74 7.398 7.541 -0.143 1 1 833 . 18 1 1 A 74 74 LEU HA H 74 3.983 4.055 -0.072 1 1 843 . 18 1 1 A 74 74 LEU C C 74 177.021 176.855 0.166 1 1 844 . 18 1 1 A 74 74 LEU CA C 74 56.843 56.799 0.044 1 1 845 . 18 1 1 A 74 74 LEU CB C 74 42.625 42.828 -0.203 1 1 849 . 18 1 1 A 74 74 LEU N N 74 118.460 119.478 -1.018 1 1 850 . 18 1 1 A 75 75 GLY H H 75 7.174 7.311 -0.137 1 1 851 . 18 1 1 A 75 75 GLY HA2 H 75 4.215 4.041 0.174 1 1 852 . 18 1 1 A 75 75 GLY HA3 H 75 3.630 4.042 -0.412 1 1 853 . 18 1 1 A 75 75 GLY C C 75 172.805 174.015 -1.210 1 1 854 . 18 1 1 A 75 75 GLY CA C 75 45.360 45.530 -0.170 1 1 855 . 18 1 1 A 75 75 GLY N N 75 102.991 104.209 -1.218 1 1 856 . 18 1 1 A 76 76 ASP H H 76 8.825 8.738 0.087 1 1 857 . 18 1 1 A 76 76 ASP HA H 76 4.766 4.663 0.103 1 1 860 . 18 1 1 A 76 76 ASP C C 76 173.749 175.736 -1.987 1 1 861 . 18 1 1 A 76 76 ASP CA C 76 53.708 54.073 -0.365 1 1 862 . 18 1 1 A 76 76 ASP CB C 76 39.071 40.699 -1.628 1 1 863 . 18 1 1 A 76 76 ASP N N 76 126.839 120.537 6.302 1 1 864 . 18 1 1 A 77 77 VAL H H 77 7.511 7.463 0.048 1 1 865 . 18 1 1 A 77 77 VAL HA H 77 4.772 4.081 0.691 1 1 873 . 18 1 1 A 77 77 VAL C C 77 175.629 175.694 -0.065 1 1 874 . 18 1 1 A 77 77 VAL CA C 77 58.959 61.989 -3.030 1 1 875 . 18 1 1 A 77 77 VAL CB C 77 34.970 32.629 2.341 1 1 878 . 18 1 1 A 77 77 VAL N N 77 115.615 117.773 -2.158 1 1 879 . 18 1 1 A 78 78 ASN H H 78 8.822 8.686 0.136 1 1 880 . 18 1 1 A 78 78 ASN HA H 78 4.820 4.680 0.140 1 1 885 . 18 1 1 A 78 78 ASN C C 78 174.047 175.131 -1.084 1 1 886 . 18 1 1 A 78 78 ASN CA C 78 52.085 53.878 -1.793 1 1 887 . 18 1 1 A 78 78 ASN CB C 78 40.438 38.569 1.869 1 1 888 . 18 1 1 A 78 78 ASN N N 78 120.393 122.170 -1.777 1 1 890 . 18 1 1 A 79 79 VAL H H 79 8.044 8.290 -0.246 1 1 891 . 18 1 1 A 79 79 VAL HA H 79 4.669 4.843 -0.174 1 1 899 . 18 1 1 A 79 79 VAL C C 79 174.123 173.382 0.741 1 1 900 . 18 1 1 A 79 79 VAL CA C 79 61.491 59.733 1.758 1 1 901 . 18 1 1 A 79 79 VAL CB C 79 33.329 35.026 -1.697 1 1 904 . 18 1 1 A 79 79 VAL N N 79 122.456 117.142 5.314 1 1 905 . 18 1 1 A 80 80 TYR H H 80 8.944 8.854 0.090 1 1 906 . 18 1 1 A 80 80 TYR HA H 80 6.170 5.304 0.866 1 1 911 . 18 1 1 A 80 80 TYR C C 80 177.210 174.892 2.318 1 1 912 . 18 1 1 A 80 80 TYR CA C 80 54.929 56.115 -1.186 1 1 913 . 18 1 1 A 80 80 TYR CB C 80 42.899 42.902 -0.003 1 1 914 . 18 1 1 A 80 80 TYR N N 80 123.229 123.954 -0.725 1 1 915 . 18 1 1 A 81 81 THR H H 81 8.465 8.520 -0.055 1 1 916 . 18 1 1 A 81 81 THR HA H 81 5.652 5.534 0.118 1 1 921 . 18 1 1 A 81 81 THR C C 81 172.880 173.405 -0.525 1 1 922 . 18 1 1 A 81 81 THR CA C 81 62.038 61.089 0.949 1 1 923 . 18 1 1 A 81 81 THR CB C 81 71.608 71.547 0.061 1 1 925 . 18 1 1 A 81 81 THR N N 81 119.491 115.391 4.100 1 1 926 . 18 1 1 A 82 82 ILE H H 82 8.958 8.718 0.240 1 1 927 . 18 1 1 A 82 82 ILE HA H 82 5.145 5.127 0.018 1 1 937 . 18 1 1 A 82 82 ILE C C 82 174.123 174.624 -0.501 1 1 938 . 18 1 1 A 82 82 ILE CA C 82 59.847 59.522 0.325 1 1 939 . 18 1 1 A 82 82 ILE CB C 82 39.618 40.896 -1.278 1 1 943 . 18 1 1 A 82 82 ILE N N 82 125.550 125.829 -0.279 1 1 944 . 18 1 1 A 83 83 SER H H 83 7.731 9.102 -1.371 1 1 945 . 18 1 1 A 83 83 SER HA H 83 4.909 5.367 -0.458 1 1 948 . 18 1 1 A 83 83 SER C C 83 173.182 173.405 -0.223 1 1 949 . 18 1 1 A 83 83 SER CA C 83 57.034 57.755 -0.721 1 1 950 . 18 1 1 A 83 83 SER CB C 83 68.054 67.100 0.954 1 1 951 . 18 1 1 A 83 83 SER N N 83 117.171 123.241 -6.070 1 1 952 . 18 1 1 A 84 84 ALA H H 84 9.548 8.880 0.668 1 1 953 . 18 1 1 A 84 84 ALA HA H 84 4.177 4.602 -0.425 1 1 957 . 18 1 1 A 84 84 ALA C C 84 175.290 177.931 -2.641 1 1 958 . 18 1 1 A 84 84 ALA CA C 84 51.922 52.062 -0.140 1 1 959 . 18 1 1 A 84 84 ALA CB C 84 19.111 20.143 -1.032 1 1 960 . 18 1 1 A 84 84 ALA N N 84 120.651 125.521 -4.870 1 1 961 . 18 1 1 A 85 85 ASP H H 85 7.739 8.555 -0.816 1 1 962 . 18 1 1 A 85 85 ASP HA H 85 4.380 4.624 -0.244 1 1 965 . 18 1 1 A 85 85 ASP C C 85 175.591 176.033 -0.442 1 1 966 . 18 1 1 A 85 85 ASP CA C 85 55.136 54.730 0.406 1 1 967 . 18 1 1 A 85 85 ASP CB C 85 43.011 41.139 1.872 1 1 968 . 18 1 1 A 85 85 ASP N N 85 114.721 119.104 -4.383 1 1 969 . 18 1 1 A 86 86 LEU H H 86 8.475 7.211 1.264 1 1 970 . 18 1 1 A 86 86 LEU HA H 86 3.956 4.273 -0.317 1 1 980 . 18 1 1 A 86 86 LEU CA C 86 54.656 53.199 1.457 1 1 981 . 18 1 1 A 86 86 LEU CB C 86 39.380 43.643 -4.263 1 1 985 . 18 1 1 A 87 87 PRO HA H 87 4.225 4.222 0.003 1 1 992 . 18 1 1 A 87 87 PRO CA C 87 65.046 64.625 0.421 1 1 993 . 18 1 1 A 87 87 PRO CB C 87 32.264 31.537 0.727 1 1 996 . 18 1 1 A 88 88 PHE H H 88 5.565 8.101 -2.536 1 1 997 . 18 1 1 A 88 88 PHE HA H 88 4.340 4.715 -0.375 1 1 1000 . 18 1 1 A 88 88 PHE CA C 88 57.664 57.309 0.355 1 1 1001 . 18 1 1 A 88 88 PHE CB C 88 39.344 37.004 2.340 1 1 1002 . 18 1 1 A 88 88 PHE N N 88 110.725 115.932 -5.207 1 1 1003 . 18 1 1 A 89 89 ALA H H 89 7.381 7.646 -0.265 1 1 1004 . 18 1 1 A 89 89 ALA HA H 89 4.239 4.540 -0.301 1 1 1008 . 18 1 1 A 89 89 ALA CA C 89 52.009 50.806 1.203 1 1 1009 . 18 1 1 A 89 89 ALA CB C 89 19.761 22.848 -3.087 1 1 1010 . 18 1 1 A 89 89 ALA N N 89 114.850 120.629 -5.779 1 1 1011 . 18 1 1 A 90 90 GLN H H 90 7.231 8.813 -1.582 1 1 1012 . 18 1 1 A 90 90 GLN HA H 90 3.695 4.069 -0.374 1 1 1018 . 18 1 1 A 90 90 GLN CA C 90 59.578 56.719 2.859 1 1 1019 . 18 1 1 A 90 90 GLN CB C 90 28.728 26.470 2.258 1 1 1022 . 18 1 1 A 91 91 ALA H H 91 7.741 8.206 -0.465 1 1 1023 . 18 1 1 A 91 91 ALA HA H 91 4.202 4.353 -0.151 1 1 1027 . 18 1 1 A 91 91 ALA CA C 91 54.382 51.979 2.403 1 1 1028 . 18 1 1 A 91 91 ALA CB C 91 18.837 19.111 -0.274 1 1 1029 . 18 1 1 A 91 91 ALA N N 91 118.589 122.068 -3.479 1 1 1030 . 18 1 1 A 92 92 ARG H H 92 7.354 8.137 -0.783 1 1 1031 . 18 1 1 A 92 92 ARG HA H 92 4.588 4.046 0.542 1 1 1038 . 18 1 1 A 92 92 ARG CA C 92 55.476 57.034 -1.558 1 1 1039 . 18 1 1 A 92 92 ARG CB C 92 30.048 27.996 2.052 1 1 1042 . 18 1 1 A 93 93 TRP H H 93 7.767 8.017 -0.250 1 1 1043 . 18 1 1 A 93 93 TRP HA H 93 4.881 4.622 0.259 1 1 1050 . 18 1 1 A 93 93 TRP CA C 93 57.534 57.590 -0.056 1 1 1051 . 18 1 1 A 93 93 TRP CB C 93 29.501 30.882 -1.381 1 1 1052 . 18 1 1 A 93 93 TRP N N 93 121.927 122.227 -0.300 1 1 1054 . 18 1 1 A 94 94 CYS HA H 94 3.901 3.857 0.044 1 1 1057 . 18 1 1 A 94 94 CYS CA C 94 59.577 58.820 0.757 1 1 1058 . 18 1 1 A 94 94 CYS CB C 94 43.446 41.506 1.940 1 1 1059 . 18 1 1 A 95 95 GLY HA2 H 95 5.122 3.865 1.257 1 1 1060 . 18 1 1 A 95 95 GLY HA3 H 95 3.691 3.916 -0.225 1 1 1061 . 18 1 1 A 95 95 GLY CA C 95 45.511 46.741 -1.230 1 1 1062 . 18 1 1 A 96 96 ALA H H 96 7.504 7.604 -0.100 1 1 1063 . 18 1 1 A 96 96 ALA HA H 96 4.412 4.577 -0.165 1 1 1067 . 18 1 1 A 96 96 ALA CA C 96 51.699 51.089 0.610 1 1 1068 . 18 1 1 A 96 96 ALA CB C 96 21.025 20.016 1.009 1 1 1069 . 18 1 1 A 96 96 ALA N N 96 121.579 119.093 2.486 1 1 1070 . 18 1 1 A 97 97 ASN H H 97 7.345 8.186 -0.841 1 1 1071 . 18 1 1 A 97 97 ASN HA H 97 4.551 4.519 0.032 1 1 1076 . 18 1 1 A 97 97 ASN CA C 97 54.929 55.004 -0.075 1 1 1077 . 18 1 1 A 97 97 ASN CB C 97 39.071 37.750 1.321 1 1 1079 . 18 1 1 A 98 98 GLY H H 98 8.890 7.605 1.285 1 1 1080 . 18 1 1 A 98 98 GLY HA2 H 98 3.796 4.065 -0.269 1 1 1081 . 18 1 1 A 98 98 GLY HA3 H 98 4.070 4.080 -0.010 1 1 1082 . 18 1 1 A 98 98 GLY C C 98 174.160 174.022 0.138 1 1 1083 . 18 1 1 A 98 98 GLY CA C 98 45.841 45.611 0.230 1 1 1084 . 18 1 1 A 99 99 ILE H H 99 7.739 7.465 0.274 1 1 1085 . 18 1 1 A 99 99 ILE HA H 99 4.198 4.472 -0.274 1 1 1095 . 18 1 1 A 99 99 ILE C C 99 175.561 175.269 0.292 1 1 1096 . 18 1 1 A 99 99 ILE CA C 99 60.671 59.310 1.361 1 1 1097 . 18 1 1 A 99 99 ILE CB C 99 38.524 38.555 -0.031 1 1 1101 . 18 1 1 A 99 99 ILE N N 99 120.780 115.773 5.007 1 1 1102 . 18 1 1 A 100 100 ASP H H 100 8.372 8.730 -0.358 1 1 1103 . 18 1 1 A 100 100 ASP HA H 100 4.426 4.196 0.230 1 1 1106 . 18 1 1 A 100 100 ASP C C 100 176.325 177.807 -1.482 1 1 1107 . 18 1 1 A 100 100 ASP CA C 100 56.023 57.374 -1.351 1 1 1108 . 18 1 1 A 100 100 ASP CB C 100 40.985 40.531 0.454 1 1 1109 . 18 1 1 A 100 100 ASP N N 100 126.194 125.763 0.431 1 1 1110 . 18 1 1 A 101 101 LYS H H 101 8.081 8.356 -0.275 1 1 1111 . 18 1 1 A 101 101 LYS HA H 101 4.052 4.164 -0.112 1 1 1120 . 18 1 1 A 101 101 LYS C C 101 175.874 176.987 -1.113 1 1 1121 . 18 1 1 A 101 101 LYS CA C 101 58.210 58.417 -0.207 1 1 1122 . 18 1 1 A 101 101 LYS CB C 101 31.689 31.989 -0.300 1 1 1126 . 18 1 1 A 101 101 LYS N N 101 115.366 116.217 -0.851 1 1 1127 . 18 1 1 A 102 102 VAL H H 102 7.631 7.567 0.064 1 1 1128 . 18 1 1 A 102 102 VAL HA H 102 4.419 4.178 0.241 1 1 1136 . 18 1 1 A 102 102 VAL C C 102 175.145 175.553 -0.408 1 1 1137 . 18 1 1 A 102 102 VAL CA C 102 61.919 62.992 -1.073 1 1 1138 . 18 1 1 A 102 102 VAL CB C 102 32.782 32.502 0.280 1 1 1141 . 18 1 1 A 102 102 VAL N N 102 119.362 121.543 -2.181 1 1 1142 . 18 1 1 A 103 103 GLU H H 103 8.489 8.436 0.053 1 1 1143 . 18 1 1 A 103 103 GLU HA H 103 4.931 5.060 -0.129 1 1 1148 . 18 1 1 A 103 103 GLU C C 103 175.943 174.620 1.323 1 1 1149 . 18 1 1 A 103 103 GLU CA C 103 55.140 54.961 0.179 1 1 1150 . 18 1 1 A 103 103 GLU CB C 103 33.329 33.822 -0.493 1 1 1152 . 18 1 1 A 103 103 GLU N N 103 126.581 125.042 1.539 1 1 1153 . 18 1 1 A 104 104 THR H H 104 8.690 8.482 0.208 1 1 1154 . 18 1 1 A 104 104 THR HA H 104 5.292 5.278 0.014 1 1 1159 . 18 1 1 A 104 104 THR C C 104 173.165 173.677 -0.512 1 1 1160 . 18 1 1 A 104 104 THR CA C 104 58.757 61.913 -3.156 1 1 1161 . 18 1 1 A 104 104 THR CB C 104 69.967 71.416 -1.449 1 1 1163 . 18 1 1 A 104 104 THR N N 104 114.979 120.202 -5.223 1 1 1164 . 18 1 1 A 105 105 LEU H H 105 8.635 9.273 -0.638 1 1 1165 . 18 1 1 A 105 105 LEU HA H 105 4.979 5.356 -0.377 1 1 1175 . 18 1 1 A 105 105 LEU C C 105 176.985 176.218 0.767 1 1 1176 . 18 1 1 A 105 105 LEU CA C 105 52.849 53.527 -0.678 1 1 1177 . 18 1 1 A 105 105 LEU CB C 105 45.633 45.141 0.492 1 1 1181 . 18 1 1 A 105 105 LEU N N 105 119.233 125.774 -6.541 1 1 1182 . 18 1 1 A 106 106 SER H H 106 9.670 8.990 0.680 1 1 1183 . 18 1 1 A 106 106 SER HA H 106 5.485 5.060 0.425 1 1 1186 . 18 1 1 A 106 106 SER C C 106 176.256 174.704 1.552 1 1 1187 . 18 1 1 A 106 106 SER CA C 106 56.570 57.115 -0.545 1 1 1188 . 18 1 1 A 106 106 SER CB C 106 65.593 64.182 1.411 1 1 1189 . 18 1 1 A 106 106 SER N N 106 114.979 118.525 -3.546 1 1 1190 . 18 1 1 A 107 107 ASP H H 107 8.764 7.895 0.869 1 1 1191 . 18 1 1 A 107 107 ASP HA H 107 5.517 4.161 1.356 1 1 1194 . 18 1 1 A 107 107 ASP CA C 107 52.753 57.558 -4.805 1 1 1195 . 18 1 1 A 107 107 ASP CB C 107 45.086 41.373 3.713 1 1 1196 . 18 1 1 A 107 107 ASP N N 107 132.898 122.973 9.925 1 1 1197 . 18 1 1 A 108 108 HIS H H 108 7.940 8.413 -0.473 1 1 1198 . 18 1 1 A 108 108 HIS HA H 108 4.075 4.046 0.029 1 1 1200 . 18 1 1 A 108 108 HIS CA C 108 59.577 59.543 0.034 1 1 1201 . 18 1 1 A 108 108 HIS CB C 108 29.861 29.989 -0.128 1 1 1202 . 18 1 1 A 108 108 HIS N N 108 116.397 118.749 -2.352 1 1 1203 . 18 1 1 A 109 109 ARG HA H 109 4.214 4.006 0.208 1 1 1206 . 18 1 1 A 109 109 ARG CA C 109 59.031 58.996 0.035 1 1 1207 . 18 1 1 A 109 109 ARG CB C 109 27.861 29.850 -1.989 1 1 1208 . 18 1 1 A 110 110 ASP HA H 110 4.867 4.874 -0.007 1 1 1211 . 18 1 1 A 110 110 ASP C C 110 175.735 176.049 -0.314 1 1 1212 . 18 1 1 A 110 110 ASP CA C 110 53.708 54.694 -0.986 1 1 1213 . 18 1 1 A 110 110 ASP CB C 110 43.875 43.051 0.824 1 1 1214 . 18 1 1 A 111 111 MET H H 111 7.899 8.550 -0.651 1 1 1215 . 18 1 1 A 111 111 MET HA H 111 4.503 4.163 0.340 1 1 1221 . 18 1 1 A 111 111 MET C C 111 177.332 176.322 1.010 1 1 1222 . 18 1 1 A 111 111 MET CA C 111 56.570 56.739 -0.169 1 1 1223 . 18 1 1 A 111 111 MET CB C 111 30.868 32.175 -1.307 1 1 1226 . 18 1 1 A 111 111 MET N N 111 116.397 118.683 -2.286 1 1 1227 . 18 1 1 A 112 112 SER H H 112 7.931 8.133 -0.202 1 1 1228 . 18 1 1 A 112 112 SER HA H 112 4.248 4.121 0.127 1 1 1231 . 18 1 1 A 112 112 SER C C 112 179.173 176.155 3.018 1 1 1232 . 18 1 1 A 112 112 SER CA C 112 60.945 62.289 -1.344 1 1 1233 . 18 1 1 A 112 112 SER CB C 112 64.499 62.986 1.513 1 1 1234 . 18 1 1 A 112 112 SER N N 112 113.561 115.422 -1.861 1 1 1235 . 18 1 1 A 113 113 PHE H H 113 10.125 8.408 1.717 1 1 1236 . 18 1 1 A 113 113 PHE HA H 113 3.593 3.942 -0.349 1 1 1241 . 18 1 1 A 113 113 PHE C C 113 177.437 177.780 -0.343 1 1 1242 . 18 1 1 A 113 113 PHE CA C 113 62.312 61.289 1.023 1 1 1243 . 18 1 1 A 113 113 PHE CB C 113 37.704 38.438 -0.734 1 1 1244 . 18 1 1 A 113 113 PHE N N 113 125.550 122.602 2.948 1 1 1245 . 18 1 1 A 114 114 GLY H H 114 10.707 8.881 1.826 1 1 1246 . 18 1 1 A 114 114 GLY HA2 H 114 3.396 3.667 -0.271 1 1 1247 . 18 1 1 A 114 114 GLY HA3 H 114 3.218 3.790 -0.572 1 1 1248 . 18 1 1 A 114 114 GLY C C 114 175.735 175.749 -0.014 1 1 1249 . 18 1 1 A 114 114 GLY CA C 114 48.641 47.328 1.313 1 1 1250 . 18 1 1 A 114 114 GLY N N 114 109.178 106.002 3.176 1 1 1251 . 18 1 1 A 115 115 GLU H H 115 8.251 8.337 -0.086 1 1 1252 . 18 1 1 A 115 115 GLU HA H 115 4.431 4.182 0.249 1 1 1257 . 18 1 1 A 115 115 GLU C C 115 178.756 178.248 0.508 1 1 1258 . 18 1 1 A 115 115 GLU CA C 115 59.031 58.929 0.102 1 1 1259 . 18 1 1 A 115 115 GLU CB C 115 29.775 29.232 0.543 1 1 1261 . 18 1 1 A 115 115 GLU N N 115 120.522 121.538 -1.016 1 1 1262 . 18 1 1 A 116 116 ALA H H 116 7.895 8.406 -0.511 1 1 1263 . 18 1 1 A 116 116 ALA HA H 116 4.111 4.129 -0.018 1 1 1267 . 18 1 1 A 116 116 ALA C C 116 177.610 179.210 -1.600 1 1 1268 . 18 1 1 A 116 116 ALA CA C 116 55.476 54.956 0.520 1 1 1269 . 18 1 1 A 116 116 ALA CB C 116 18.838 18.600 0.238 1 1 1270 . 18 1 1 A 116 116 ALA N N 116 123.100 122.128 0.972 1 1 1271 . 18 1 1 A 117 117 PHE H H 117 8.161 7.805 0.356 1 1 1272 . 18 1 1 A 117 117 PHE HA H 117 4.262 4.389 -0.127 1 1 1277 . 18 1 1 A 117 117 PHE C C 117 175.353 175.568 -0.215 1 1 1278 . 18 1 1 A 117 117 PHE CA C 117 56.843 57.243 -0.400 1 1 1279 . 18 1 1 A 117 117 PHE CB C 117 38.251 38.482 -0.231 1 1 1280 . 18 1 1 A 117 117 PHE N N 117 113.432 112.735 0.697 1 1 1281 . 18 1 1 A 118 118 GLY H H 118 7.685 7.661 0.024 1 1 1282 . 18 1 1 A 118 118 GLY HA2 H 118 3.544 4.012 -0.468 1 1 1283 . 18 1 1 A 118 118 GLY HA3 H 118 4.362 4.032 0.330 1 1 1284 . 18 1 1 A 118 118 GLY C C 118 174.901 175.543 -0.642 1 1 1285 . 18 1 1 A 118 118 GLY CA C 118 47.274 47.012 0.262 1 1 1286 . 18 1 1 A 118 118 GLY N N 118 112.143 108.438 3.705 1 1 1287 . 18 1 1 A 119 119 VAL H H 119 8.380 8.267 0.113 1 1 1288 . 18 1 1 A 119 119 VAL HA H 119 4.788 4.729 0.059 1 1 1296 . 18 1 1 A 119 119 VAL C C 119 174.901 175.387 -0.486 1 1 1297 . 18 1 1 A 119 119 VAL CA C 119 59.532 61.091 -1.559 1 1 1298 . 18 1 1 A 119 119 VAL CB C 119 32.509 32.821 -0.312 1 1 1301 . 18 1 1 A 119 119 VAL N N 119 102.475 117.210 -14.735 1 1 1302 . 18 1 1 A 120 120 TYR H H 120 6.841 7.755 -0.914 1 1 1303 . 18 1 1 A 120 120 TYR HA H 120 4.484 4.645 -0.161 1 1 1308 . 18 1 1 A 120 120 TYR C C 120 173.443 175.461 -2.018 1 1 1309 . 18 1 1 A 120 120 TYR CA C 120 54.929 57.389 -2.460 1 1 1310 . 18 1 1 A 120 120 TYR CB C 120 37.704 38.875 -1.171 1 1 1311 . 18 1 1 A 120 120 TYR N N 120 124.518 124.378 0.140 1 1 1312 . 18 1 1 A 121 121 ILE H H 121 9.244 9.045 0.199 1 1 1313 . 18 1 1 A 121 121 ILE HA H 121 4.419 3.961 0.458 1 1 1323 . 18 1 1 A 121 121 ILE C C 121 176.221 176.411 -0.190 1 1 1324 . 18 1 1 A 121 121 ILE CA C 121 62.014 62.002 0.012 1 1 1325 . 18 1 1 A 121 121 ILE CB C 121 37.704 37.397 0.307 1 1 1329 . 18 1 1 A 121 121 ILE N N 121 128.772 127.848 0.924 1 1 1330 . 18 1 1 A 122 122 LYS H H 122 9.328 9.073 0.255 1 1 1331 . 18 1 1 A 122 122 LYS HA H 122 3.588 3.683 -0.095 1 1 1340 . 18 1 1 A 122 122 LYS C C 122 179.069 177.670 1.399 1 1 1341 . 18 1 1 A 122 122 LYS CA C 122 60.124 59.697 0.427 1 1 1342 . 18 1 1 A 122 122 LYS CB C 122 33.329 32.045 1.284 1 1 1346 . 18 1 1 A 122 122 LYS N N 122 134.955 130.218 4.737 1 1 1347 . 18 1 1 A 123 123 GLU H H 123 10.228 7.671 2.557 1 1 1348 . 18 1 1 A 123 123 GLU HA H 123 3.919 4.156 -0.237 1 1 1353 . 18 1 1 A 123 123 GLU C C 123 176.638 178.629 -1.991 1 1 1354 . 18 1 1 A 123 123 GLU CA C 123 61.218 58.203 3.015 1 1 1355 . 18 1 1 A 123 123 GLU CB C 123 29.228 30.307 -1.079 1 1 1357 . 18 1 1 A 123 123 GLU N N 123 115.624 118.656 -3.032 1 1 1358 . 18 1 1 A 124 124 LEU H H 124 6.480 7.906 -1.426 1 1 1359 . 18 1 1 A 124 124 LEU HA H 124 4.464 4.041 0.423 1 1 1369 . 18 1 1 A 124 124 LEU C C 124 175.403 176.155 -0.752 1 1 1370 . 18 1 1 A 124 124 LEU CA C 124 53.562 57.127 -3.565 1 1 1371 . 18 1 1 A 124 124 LEU CB C 124 44.813 42.222 2.591 1 1 1375 . 18 1 1 A 124 124 LEU N N 124 110.434 121.140 -10.706 1 1 1376 . 18 1 1 A 125 125 ARG H H 125 8.701 7.392 1.309 1 1 1377 . 18 1 1 A 125 125 ARG HA H 125 3.783 3.596 0.187 1 1 1380 . 18 1 1 A 125 125 ARG C C 125 173.029 174.725 -1.696 1 1 1381 . 18 1 1 A 125 125 ARG CA C 125 57.664 57.046 0.618 1 1 1382 . 18 1 1 A 125 125 ARG CB C 125 30.965 27.206 3.759 1 1 1383 . 18 1 1 A 125 125 ARG N N 125 121.940 116.628 5.312 1 1 1384 . 18 1 1 A 126 126 LEU H H 126 6.671 7.649 -0.978 1 1 1385 . 18 1 1 A 126 126 LEU HA H 126 4.621 5.197 -0.576 1 1 1395 . 18 1 1 A 126 126 LEU C C 126 174.203 174.407 -0.204 1 1 1396 . 18 1 1 A 126 126 LEU CA C 126 51.922 53.757 -1.835 1 1 1397 . 18 1 1 A 126 126 LEU CB C 126 46.727 45.346 1.381 1 1 1401 . 18 1 1 A 126 126 LEU N N 126 111.885 119.273 -7.388 1 1 1402 . 18 1 1 A 127 127 LEU H H 127 8.447 8.646 -0.199 1 1 1403 . 18 1 1 A 127 127 LEU HA H 127 5.153 4.728 0.425 1 1 1413 . 18 1 1 A 127 127 LEU C C 127 175.145 176.916 -1.771 1 1 1414 . 18 1 1 A 127 127 LEU CA C 127 52.742 55.171 -2.429 1 1 1415 . 18 1 1 A 127 127 LEU CB C 127 43.172 43.196 -0.024 1 1 1419 . 18 1 1 A 127 127 LEU N N 127 118.983 126.573 -7.590 1 1 1420 . 18 1 1 A 128 128 ALA H H 128 9.160 8.834 0.326 1 1 1421 . 18 1 1 A 128 128 ALA HA H 128 3.843 4.485 -0.642 1 1 1425 . 18 1 1 A 128 128 ALA C C 128 176.603 177.234 -0.631 1 1 1426 . 18 1 1 A 128 128 ALA CA C 128 52.469 52.136 0.333 1 1 1427 . 18 1 1 A 128 128 ALA CB C 128 18.291 20.194 -1.903 1 1 1428 . 18 1 1 A 128 128 ALA N N 128 121.682 128.409 -6.727 1 1 1429 . 18 1 1 A 129 129 ARG H H 129 6.254 8.635 -2.381 1 1 1430 . 18 1 1 A 129 129 ARG HA H 129 4.700 5.265 -0.565 1 1 1436 . 18 1 1 A 129 129 ARG C C 129 176.534 175.228 1.306 1 1 1437 . 18 1 1 A 129 129 ARG CA C 129 55.651 54.692 0.959 1 1 1438 . 18 1 1 A 129 129 ARG CB C 129 29.775 31.947 -2.172 1 1 1441 . 18 1 1 A 129 129 ARG N N 129 120.393 121.481 -1.088 1 1 1442 . 18 1 1 A 130 130 SER H H 130 8.398 8.748 -0.350 1 1 1443 . 18 1 1 A 130 130 SER HA H 130 4.767 4.889 -0.122 1 1 1446 . 18 1 1 A 130 130 SER C C 130 172.957 172.586 0.371 1 1 1447 . 18 1 1 A 130 130 SER CA C 130 57.658 57.434 0.224 1 1 1448 . 18 1 1 A 130 130 SER CB C 130 63.679 67.779 -4.100 1 1 1449 . 18 1 1 A 130 130 SER N N 130 120.264 122.093 -1.829 1 1 1450 . 18 1 1 A 131 131 VAL H H 131 7.838 7.971 -0.133 1 1 1451 . 18 1 1 A 131 131 VAL HA H 131 5.086 5.006 0.080 1 1 1459 . 18 1 1 A 131 131 VAL C C 131 172.853 174.002 -1.149 1 1 1460 . 18 1 1 A 131 131 VAL CA C 131 60.746 59.525 1.221 1 1 1461 . 18 1 1 A 131 131 VAL CB C 131 36.610 35.769 0.841 1 1 1464 . 18 1 1 A 131 131 VAL N N 131 118.460 116.312 2.148 1 1 1465 . 18 1 1 A 132 132 PHE H H 132 9.259 9.316 -0.057 1 1 1466 . 18 1 1 A 132 132 PHE HA H 132 5.583 5.526 0.057 1 1 1470 . 18 1 1 A 132 132 PHE C C 132 174.797 174.950 -0.153 1 1 1471 . 18 1 1 A 132 132 PHE CA C 132 56.296 56.244 0.052 1 1 1472 . 18 1 1 A 132 132 PHE CB C 132 44.539 44.022 0.517 1 1 1473 . 18 1 1 A 132 132 PHE N N 132 121.682 121.055 0.627 1 1 1474 . 18 1 1 A 133 133 VAL H H 133 8.907 8.717 0.190 1 1 1475 . 18 1 1 A 133 133 VAL HA H 133 5.331 5.106 0.225 1 1 1483 . 18 1 1 A 133 133 VAL C C 133 174.450 175.282 -0.832 1 1 1484 . 18 1 1 A 133 133 VAL CA C 133 61.491 60.674 0.817 1 1 1485 . 18 1 1 A 133 133 VAL CB C 133 34.696 35.954 -1.258 1 1 1488 . 18 1 1 A 133 133 VAL N N 133 119.878 120.163 -0.285 1 1 1489 . 18 1 1 A 134 134 LEU H H 134 9.976 9.233 0.743 1 1 1490 . 18 1 1 A 134 134 LEU HA H 134 5.680 5.399 0.281 1 1 1500 . 18 1 1 A 134 134 LEU C C 134 176.777 176.374 0.403 1 1 1501 . 18 1 1 A 134 134 LEU CA C 134 52.195 53.609 -1.414 1 1 1502 . 18 1 1 A 134 134 LEU CB C 134 44.813 45.507 -0.694 1 1 1506 . 18 1 1 A 134 134 LEU N N 134 129.417 126.552 2.865 1 1 1507 . 18 1 1 A 135 135 ASP H H 135 9.051 9.063 -0.012 1 1 1508 . 18 1 1 A 135 135 ASP HA H 135 4.708 4.775 -0.067 1 1 1511 . 18 1 1 A 135 135 ASP C C 135 177.193 177.374 -0.181 1 1 1512 . 18 1 1 A 135 135 ASP CA C 135 52.276 53.030 -0.754 1 1 1513 . 18 1 1 A 135 135 ASP CB C 135 40.711 41.357 -0.646 1 1 1514 . 18 1 1 A 135 135 ASP N N 135 119.362 122.304 -2.942 1 1 1515 . 18 1 1 A 136 136 GLU H H 136 9.970 8.810 1.160 1 1 1516 . 18 1 1 A 136 136 GLU HA H 136 3.953 4.026 -0.073 1 1 1521 . 18 1 1 A 136 136 GLU C C 136 177.055 177.694 -0.639 1 1 1522 . 18 1 1 A 136 136 GLU CA C 136 58.757 59.410 -0.653 1 1 1523 . 18 1 1 A 136 136 GLU CB C 136 28.681 29.274 -0.593 1 1 1525 . 18 1 1 A 136 136 GLU N N 136 116.011 118.477 -2.466 1 1 1526 . 18 1 1 A 137 137 ASN H H 137 8.514 8.059 0.455 1 1 1527 . 18 1 1 A 137 137 ASN HA H 137 5.026 4.824 0.202 1 1 1532 . 18 1 1 A 137 137 ASN C C 137 175.943 175.799 0.144 1 1 1533 . 18 1 1 A 137 137 ASN CA C 137 52.753 53.005 -0.252 1 1 1534 . 18 1 1 A 137 137 ASN CB C 137 40.164 39.175 0.989 1 1 1535 . 18 1 1 A 137 137 ASN N N 137 117.042 115.638 1.404 1 1 1537 . 18 1 1 A 138 138 GLY H H 138 8.430 8.468 -0.038 1 1 1538 . 18 1 1 A 138 138 GLY HA2 H 138 3.690 3.981 -0.291 1 1 1539 . 18 1 1 A 138 138 GLY HA3 H 138 4.213 4.026 0.187 1 1 1540 . 18 1 1 A 138 138 GLY C C 138 172.436 174.323 -1.887 1 1 1541 . 18 1 1 A 138 138 GLY CA C 138 46.180 45.392 0.788 1 1 1542 . 18 1 1 A 138 138 GLY N N 138 109.565 108.584 0.981 1 1 1543 . 18 1 1 A 139 139 LYS H H 139 8.573 8.256 0.317 1 1 1544 . 18 1 1 A 139 139 LYS HA H 139 4.472 4.228 0.244 1 1 1553 . 18 1 1 A 139 139 LYS C C 139 176.742 175.742 1.000 1 1 1554 . 18 1 1 A 139 139 LYS CA C 139 56.195 56.435 -0.240 1 1 1555 . 18 1 1 A 139 139 LYS CB C 139 32.782 32.874 -0.092 1 1 1559 . 18 1 1 A 139 139 LYS N N 139 123.358 122.414 0.944 1 1 1560 . 18 1 1 A 140 140 VAL H H 140 9.102 8.503 0.599 1 1 1561 . 18 1 1 A 140 140 VAL HA H 140 4.293 4.388 -0.095 1 1 1569 . 18 1 1 A 140 140 VAL C C 140 177.124 175.874 1.250 1 1 1570 . 18 1 1 A 140 140 VAL CA C 140 63.952 62.364 1.588 1 1 1571 . 18 1 1 A 140 140 VAL CB C 140 31.142 32.364 -1.222 1 1 1574 . 18 1 1 A 140 140 VAL N N 140 125.292 124.772 0.520 1 1 1575 . 18 1 1 A 141 141 VAL H H 141 9.332 9.566 -0.234 1 1 1576 . 18 1 1 A 141 141 VAL HA H 141 4.670 4.338 0.332 1 1 1584 . 18 1 1 A 141 141 VAL C C 141 175.249 175.568 -0.319 1 1 1585 . 18 1 1 A 141 141 VAL CA C 141 61.491 63.392 -1.901 1 1 1586 . 18 1 1 A 141 141 VAL CB C 141 32.509 33.261 -0.752 1 1 1589 . 18 1 1 A 141 141 VAL N N 141 124.261 125.716 -1.455 1 1 1590 . 18 1 1 A 142 142 TYR H H 142 7.959 7.608 0.351 1 1 1591 . 18 1 1 A 142 142 TYR HA H 142 4.389 4.829 -0.440 1 1 1596 . 18 1 1 A 142 142 TYR C C 142 172.262 173.560 -1.298 1 1 1597 . 18 1 1 A 142 142 TYR CA C 142 58.757 57.925 0.832 1 1 1598 . 18 1 1 A 142 142 TYR CB C 142 41.805 41.682 0.123 1 1 1599 . 18 1 1 A 142 142 TYR N N 142 122.198 120.818 1.380 1 1 1600 . 18 1 1 A 143 143 ALA H H 143 7.642 7.913 -0.271 1 1 1601 . 18 1 1 A 143 143 ALA HA H 143 4.883 5.042 -0.159 1 1 1605 . 18 1 1 A 143 143 ALA C C 143 175.353 175.057 0.296 1 1 1606 . 18 1 1 A 143 143 ALA CA C 143 51.703 51.467 0.236 1 1 1607 . 18 1 1 A 143 143 ALA CB C 143 22.666 22.495 0.171 1 1 1608 . 18 1 1 A 143 143 ALA N N 143 129.804 128.718 1.086 1 1 1609 . 18 1 1 A 144 144 GLU H H 144 8.292 8.142 0.150 1 1 1610 . 18 1 1 A 144 144 GLU HA H 144 4.297 4.676 -0.379 1 1 1615 . 18 1 1 A 144 144 GLU C C 144 173.860 173.746 0.114 1 1 1616 . 18 1 1 A 144 144 GLU CA C 144 56.296 55.261 1.035 1 1 1617 . 18 1 1 A 144 144 GLU CB C 144 32.509 33.776 -1.267 1 1 1619 . 18 1 1 A 144 144 GLU N N 144 122.198 121.628 0.570 1 1 1620 . 18 1 1 A 145 145 TYR H H 145 9.006 9.152 -0.146 1 1 1621 . 18 1 1 A 145 145 TYR HA H 145 4.125 5.194 -1.069 1 1 1626 . 18 1 1 A 145 145 TYR C C 145 175.164 175.366 -0.202 1 1 1627 . 18 1 1 A 145 145 TYR CA C 145 57.117 57.031 0.086 1 1 1628 . 18 1 1 A 145 145 TYR CB C 145 38.251 40.068 -1.817 1 1 1629 . 18 1 1 A 145 145 TYR N N 145 128.128 125.044 3.084 1 1 1630 . 18 1 1 A 146 146 VAL H H 146 7.441 8.549 -1.108 1 1 1631 . 18 1 1 A 146 146 VAL HA H 146 3.672 4.005 -0.333 1 1 1639 . 18 1 1 A 146 146 VAL C C 146 176.777 176.128 0.649 1 1 1640 . 18 1 1 A 146 146 VAL CA C 146 64.226 63.652 0.574 1 1 1641 . 18 1 1 A 146 146 VAL CB C 146 30.868 31.650 -0.782 1 1 1644 . 18 1 1 A 146 146 VAL N N 146 125.808 126.374 -0.566 1 1 1645 . 18 1 1 A 147 147 SER H H 147 8.359 8.664 -0.305 1 1 1646 . 18 1 1 A 147 147 SER HA H 147 4.007 4.298 -0.291 1 1 1649 . 18 1 1 A 147 147 SER C C 147 172.123 174.947 -2.824 1 1 1650 . 18 1 1 A 147 147 SER CA C 147 63.132 61.417 1.715 1 1 1651 . 18 1 1 A 147 147 SER CB C 147 62.859 62.898 -0.039 1 1 1652 . 18 1 1 A 147 147 SER N N 147 121.425 121.494 -0.069 1 1 1653 . 18 1 1 A 148 148 GLU H H 148 7.177 7.951 -0.774 1 1 1654 . 18 1 1 A 148 148 GLU HA H 148 5.055 4.772 0.283 1 1 1659 . 18 1 1 A 148 148 GLU C C 148 176.082 176.078 0.004 1 1 1660 . 18 1 1 A 148 148 GLU CA C 148 52.563 55.169 -2.606 1 1 1661 . 18 1 1 A 148 148 GLU CB C 148 29.774 31.130 -1.356 1 1 1663 . 18 1 1 A 148 148 GLU N N 148 119.620 121.059 -1.439 1 1 1664 . 18 1 1 A 149 149 ALA H H 149 9.142 9.288 -0.146 1 1 1665 . 18 1 1 A 149 149 ALA HA H 149 4.704 3.978 0.726 1 1 1669 . 18 1 1 A 149 149 ALA C C 149 177.437 178.239 -0.802 1 1 1670 . 18 1 1 A 149 149 ALA CA C 149 54.466 54.800 -0.334 1 1 1671 . 18 1 1 A 149 149 ALA CB C 149 19.111 18.615 0.496 1 1 1672 . 18 1 1 A 149 149 ALA N N 149 127.741 129.178 -1.437 1 1 1673 . 18 1 1 A 150 150 THR H H 150 8.200 7.370 0.830 1 1 1674 . 18 1 1 A 150 150 THR HA H 150 4.393 4.213 0.180 1 1 1679 . 18 1 1 A 150 150 THR C C 150 174.554 173.382 1.172 1 1 1680 . 18 1 1 A 150 150 THR CA C 150 62.312 61.888 0.424 1 1 1681 . 18 1 1 A 150 150 THR CB C 150 69.694 68.838 0.856 1 1 1683 . 18 1 1 A 150 150 THR N N 150 104.453 105.910 -1.457 1 1 1684 . 18 1 1 A 151 151 ASN H H 151 7.984 7.430 0.554 1 1 1685 . 18 1 1 A 151 151 ASN HA H 151 4.947 5.256 -0.309 1 1 1690 . 18 1 1 A 151 151 ASN C C 151 174.554 173.259 1.295 1 1 1691 . 18 1 1 A 151 151 ASN CA C 151 51.135 51.450 -0.315 1 1 1692 . 18 1 1 A 151 151 ASN CB C 151 39.344 42.211 -2.867 1 1 1693 . 18 1 1 A 151 151 ASN N N 151 123.487 119.275 4.212 1 1 1695 . 18 1 1 A 152 152 HIS H H 152 8.160 8.320 -0.160 1 1 1696 . 18 1 1 A 152 152 HIS HA H 152 4.731 5.051 -0.320 1 1 1700 . 18 1 1 A 152 152 HIS C C 152 174.381 174.681 -0.300 1 1 1701 . 18 1 1 A 152 152 HIS CA C 152 54.854 54.403 0.451 1 1 1702 . 18 1 1 A 152 152 HIS CB C 152 31.415 30.329 1.086 1 1 1703 . 18 1 1 A 152 152 HIS N N 152 116.139 118.574 -2.435 1 1 1704 . 18 1 1 A 153 153 PRO HA H 153 4.335 4.486 -0.151 1 1 1709 . 18 1 1 A 153 153 PRO C C 153 173.894 176.322 -2.428 1 1 1710 . 18 1 1 A 153 153 PRO CA C 153 61.491 62.190 -0.699 1 1 1711 . 18 1 1 A 153 153 PRO CB C 153 32.782 32.394 0.388 1 1 1714 . 18 1 1 A 154 154 ASN H H 154 9.511 8.641 0.870 1 1 1715 . 18 1 1 A 154 154 ASN HA H 154 4.306 4.812 -0.506 1 1 1720 . 18 1 1 A 154 154 ASN C C 154 176.568 175.530 1.038 1 1 1721 . 18 1 1 A 154 154 ASN CA C 154 54.656 52.038 2.618 1 1 1722 . 18 1 1 A 154 154 ASN CB C 154 39.071 38.166 0.905 1 1 1723 . 18 1 1 A 154 154 ASN N N 154 118.718 119.576 -0.858 1 1 1725 . 18 1 1 A 155 155 TYR H H 155 8.691 8.248 0.443 1 1 1726 . 18 1 1 A 155 155 TYR HA H 155 4.364 4.130 0.234 1 1 1731 . 18 1 1 A 155 155 TYR C C 155 176.256 177.269 -1.013 1 1 1732 . 18 1 1 A 155 155 TYR CA C 155 59.304 59.121 0.183 1 1 1733 . 18 1 1 A 155 155 TYR CB C 155 39.344 37.359 1.985 1 1 1734 . 18 1 1 A 155 155 TYR N N 155 125.421 124.792 0.629 1 1 1735 . 18 1 1 A 156 156 GLU H H 156 8.200 8.216 -0.016 1 1 1736 . 18 1 1 A 156 156 GLU HA H 156 4.415 3.953 0.462 1 1 1741 . 18 1 1 A 156 156 GLU C C 156 178.583 178.757 -0.174 1 1 1742 . 18 1 1 A 156 156 GLU CA C 156 58.757 59.317 -0.560 1 1 1743 . 18 1 1 A 156 156 GLU CB C 156 30.868 29.092 1.776 1 1 1745 . 18 1 1 A 156 156 GLU N N 156 119.878 120.765 -0.887 1 1 1746 . 18 1 1 A 157 157 LYS H H 157 8.718 7.194 1.524 1 1 1747 . 18 1 1 A 157 157 LYS HA H 157 4.095 3.979 0.116 1 1 1756 . 18 1 1 A 157 157 LYS C C 157 176.152 175.191 0.961 1 1 1757 . 18 1 1 A 157 157 LYS CA C 157 60.398 61.265 -0.867 1 1 1758 . 18 1 1 A 157 157 LYS CB C 157 30.595 30.857 -0.262 1 1 1762 . 18 1 1 A 157 157 LYS N N 157 121.167 119.090 2.077 1 1 1763 . 18 1 1 A 158 158 PRO HA H 158 3.116 3.699 -0.583 1 1 1770 . 18 1 1 A 158 158 PRO C C 158 177.853 179.361 -1.508 1 1 1771 . 18 1 1 A 158 158 PRO CA C 158 65.319 64.752 0.567 1 1 1772 . 18 1 1 A 158 158 PRO CB C 158 30.595 30.571 0.024 1 1 1775 . 18 1 1 A 159 159 ILE H H 159 6.215 7.268 -1.053 1 1 1776 . 18 1 1 A 159 159 ILE HA H 159 3.594 3.896 -0.302 1 1 1786 . 18 1 1 A 159 159 ILE C C 159 177.610 177.598 0.012 1 1 1787 . 18 1 1 A 159 159 ILE CA C 159 62.312 64.510 -2.198 1 1 1788 . 18 1 1 A 159 159 ILE CB C 159 35.516 38.027 -2.511 1 1 1792 . 18 1 1 A 159 159 ILE N N 159 113.948 116.626 -2.678 1 1 1793 . 18 1 1 A 160 160 GLU H H 160 7.572 8.711 -1.139 1 1 1794 . 18 1 1 A 160 160 GLU HA H 160 3.876 3.994 -0.118 1 1 1799 . 18 1 1 A 160 160 GLU C C 160 179.277 178.979 0.298 1 1 1800 . 18 1 1 A 160 160 GLU CA C 160 59.304 59.170 0.134 1 1 1801 . 18 1 1 A 160 160 GLU CB C 160 29.774 29.661 0.113 1 1 1803 . 18 1 1 A 160 160 GLU N N 160 119.104 119.291 -0.187 1 1 1804 . 18 1 1 A 161 161 ALA H H 161 7.902 7.936 -0.034 1 1 1805 . 18 1 1 A 161 161 ALA HA H 161 4.137 4.165 -0.028 1 1 1809 . 18 1 1 A 161 161 ALA C C 161 179.485 179.867 -0.382 1 1 1810 . 18 1 1 A 161 161 ALA CA C 161 54.656 54.990 -0.334 1 1 1811 . 18 1 1 A 161 161 ALA CB C 161 18.017 18.088 -0.071 1 1 1812 . 18 1 1 A 161 161 ALA N N 161 120.393 123.443 -3.050 1 1 1813 . 18 1 1 A 162 162 ALA H H 162 7.734 7.973 -0.239 1 1 1814 . 18 1 1 A 162 162 ALA HA H 162 3.950 4.076 -0.126 1 1 1818 . 18 1 1 A 162 162 ALA C C 162 179.485 179.486 -0.001 1 1 1819 . 18 1 1 A 162 162 ALA CA C 162 54.656 55.279 -0.623 1 1 1820 . 18 1 1 A 162 162 ALA CB C 162 19.111 18.365 0.746 1 1 1821 . 18 1 1 A 162 162 ALA N N 162 118.202 120.938 -2.736 1 1 1822 . 18 1 1 A 163 163 LYS H H 163 8.760 8.307 0.453 1 1 1823 . 18 1 1 A 163 163 LYS HA H 163 3.842 4.059 -0.217 1 1 1832 . 18 1 1 A 163 163 LYS C C 163 178.201 178.729 -0.528 1 1 1833 . 18 1 1 A 163 163 LYS CA C 163 59.578 58.898 0.680 1 1 1834 . 18 1 1 A 163 163 LYS CB C 163 32.782 31.759 1.023 1 1 1838 . 18 1 1 A 163 163 LYS N N 163 118.202 116.575 1.627 1 1 1839 . 18 1 1 A 164 164 ALA H H 164 7.216 8.500 -1.284 1 1 1840 . 18 1 1 A 164 164 ALA HA H 164 4.215 4.115 0.100 1 1 1844 . 18 1 1 A 164 164 ALA C C 164 178.339 180.556 -2.217 1 1 1845 . 18 1 1 A 164 164 ALA CA C 164 53.836 54.922 -1.086 1 1 1846 . 18 1 1 A 164 164 ALA CB C 164 18.291 18.425 -0.134 1 1 1847 . 18 1 1 A 164 164 ALA N N 164 117.557 122.049 -4.492 1 1 1848 . 18 1 1 A 165 165 LEU H H 165 7.503 8.158 -0.655 1 1 1849 . 18 1 1 A 165 165 LEU HA H 165 4.432 4.093 0.339 1 1 1859 . 18 1 1 A 165 165 LEU C C 165 177.714 179.104 -1.390 1 1 1860 . 18 1 1 A 165 165 LEU CA C 165 54.929 57.800 -2.871 1 1 1861 . 18 1 1 A 165 165 LEU CB C 165 44.256 41.931 2.325 1 1 1865 . 18 1 1 A 165 165 LEU N N 165 115.753 120.241 -4.488 1 1 1866 . 18 1 1 A 166 166 VAL H H 166 7.337 8.049 -0.712 1 1 1867 . 18 1 1 A 166 166 VAL HA H 166 4.103 3.549 0.554 1 1 1875 . 18 1 1 A 166 166 VAL C C 166 175.040 178.038 -2.998 1 1 1876 . 18 1 1 A 166 166 VAL CA C 166 62.859 66.716 -3.857 1 1 1877 . 18 1 1 A 166 166 VAL CB C 166 32.509 31.775 0.734 1 1 1880 . 18 1 1 A 166 166 VAL N N 166 118.589 118.359 0.230 1 1 1 . 19 1 1 A 2 2 ALA HA H 2 3.876 4.227 -0.351 1 1 5 . 19 1 1 A 2 2 ALA C C 2 172.590 176.515 -3.925 1 1 6 . 19 1 1 A 2 2 ALA CA C 2 51.922 51.441 0.481 1 1 7 . 19 1 1 A 2 2 ALA CB C 2 18.924 17.131 1.793 1 1 8 . 19 1 1 A 3 3 GLU H H 3 8.262 8.679 -0.417 1 1 9 . 19 1 1 A 3 3 GLU HA H 3 4.641 4.438 0.203 1 1 14 . 19 1 1 A 3 3 GLU C C 3 175.157 175.934 -0.777 1 1 15 . 19 1 1 A 3 3 GLU CA C 3 55.476 56.667 -1.191 1 1 16 . 19 1 1 A 3 3 GLU CB C 3 31.142 30.544 0.598 1 1 18 . 19 1 1 A 3 3 GLU N N 3 121.167 123.533 -2.366 1 1 19 . 19 1 1 A 4 4 ILE H H 4 9.053 8.693 0.360 1 1 20 . 19 1 1 A 4 4 ILE HA H 4 5.361 5.132 0.229 1 1 30 . 19 1 1 A 4 4 ILE C C 4 175.817 174.883 0.934 1 1 31 . 19 1 1 A 4 4 ILE CA C 4 59.304 59.063 0.241 1 1 32 . 19 1 1 A 4 4 ILE CB C 4 42.079 42.899 -0.820 1 1 36 . 19 1 1 A 4 4 ILE N N 4 124.776 120.692 4.084 1 1 37 . 19 1 1 A 5 5 THR H H 5 8.977 8.378 0.599 1 1 38 . 19 1 1 A 5 5 THR HA H 5 5.141 5.428 -0.287 1 1 43 . 19 1 1 A 5 5 THR C C 5 173.483 173.325 0.158 1 1 44 . 19 1 1 A 5 5 THR CA C 5 59.304 60.865 -1.561 1 1 45 . 19 1 1 A 5 5 THR CB C 5 73.249 72.041 1.208 1 1 47 . 19 1 1 A 5 5 THR N N 5 112.659 115.671 -3.012 1 1 48 . 19 1 1 A 6 6 PHE H H 6 9.173 9.321 -0.148 1 1 49 . 19 1 1 A 6 6 PHE HA H 6 4.866 4.942 -0.076 1 1 53 . 19 1 1 A 6 6 PHE C C 6 175.591 174.770 0.821 1 1 54 . 19 1 1 A 6 6 PHE CA C 6 58.054 57.442 0.612 1 1 55 . 19 1 1 A 6 6 PHE CB C 6 42.625 42.569 0.056 1 1 56 . 19 1 1 A 6 6 PHE N N 6 119.362 124.811 -5.449 1 1 57 . 19 1 1 A 7 7 LYS H H 7 11.130 9.004 2.126 1 1 58 . 19 1 1 A 7 7 LYS HA H 7 3.567 3.788 -0.221 1 1 67 . 19 1 1 A 7 7 LYS C C 7 177.661 175.733 1.928 1 1 68 . 19 1 1 A 7 7 LYS CA C 7 57.390 57.122 0.268 1 1 69 . 19 1 1 A 7 7 LYS CB C 7 29.222 31.248 -2.026 1 1 73 . 19 1 1 A 7 7 LYS N N 7 134.058 126.774 7.284 1 1 74 . 19 1 1 A 8 8 GLY H H 8 8.965 8.813 0.152 1 1 75 . 19 1 1 A 8 8 GLY HA2 H 8 4.244 3.841 0.403 1 1 76 . 19 1 1 A 8 8 GLY HA3 H 8 3.528 3.843 -0.315 1 1 77 . 19 1 1 A 8 8 GLY C C 8 173.822 174.349 -0.527 1 1 78 . 19 1 1 A 8 8 GLY CA C 8 45.360 45.644 -0.284 1 1 79 . 19 1 1 A 8 8 GLY N N 8 104.280 105.246 -0.966 1 1 80 . 19 1 1 A 9 9 GLY H H 9 7.942 8.272 -0.330 1 1 81 . 19 1 1 A 9 9 GLY HA2 H 9 4.815 4.255 0.560 1 1 82 . 19 1 1 A 9 9 GLY HA3 H 9 3.715 4.279 -0.564 1 1 83 . 19 1 1 A 9 9 GLY C C 9 171.262 173.199 -1.937 1 1 84 . 19 1 1 A 9 9 GLY CA C 9 43.172 44.754 -1.582 1 1 85 . 19 1 1 A 9 9 GLY N N 9 109.823 107.826 1.997 1 1 86 . 19 1 1 A 10 10 PRO HA H 10 4.640 4.713 -0.073 1 1 93 . 19 1 1 A 10 10 PRO C C 10 177.097 176.373 0.724 1 1 94 . 19 1 1 A 10 10 PRO CA C 10 63.952 63.126 0.826 1 1 95 . 19 1 1 A 10 10 PRO CB C 10 32.509 32.333 0.176 1 1 98 . 19 1 1 A 11 11 VAL H H 11 7.770 8.591 -0.821 1 1 99 . 19 1 1 A 11 11 VAL HA H 11 4.632 4.993 -0.361 1 1 107 . 19 1 1 A 11 11 VAL C C 11 174.462 174.614 -0.152 1 1 108 . 19 1 1 A 11 11 VAL CA C 11 59.304 59.407 -0.103 1 1 109 . 19 1 1 A 11 11 VAL CB C 11 35.516 36.468 -0.952 1 1 112 . 19 1 1 A 11 11 VAL N N 11 115.495 116.842 -1.347 1 1 113 . 19 1 1 A 12 12 THR H H 12 10.773 8.590 2.183 1 1 114 . 19 1 1 A 12 12 THR HA H 12 4.425 5.154 -0.729 1 1 119 . 19 1 1 A 12 12 THR C C 12 173.505 173.605 -0.100 1 1 120 . 19 1 1 A 12 12 THR CA C 12 62.312 60.581 1.731 1 1 121 . 19 1 1 A 12 12 THR CB C 12 69.694 72.789 -3.095 1 1 123 . 19 1 1 A 12 12 THR N N 12 121.940 116.517 5.423 1 1 124 . 19 1 1 A 13 13 LEU H H 13 8.524 8.853 -0.329 1 1 125 . 19 1 1 A 13 13 LEU HA H 13 5.132 4.973 0.159 1 1 135 . 19 1 1 A 13 13 LEU C C 13 177.285 176.220 1.065 1 1 136 . 19 1 1 A 13 13 LEU CA C 13 53.289 53.117 0.172 1 1 137 . 19 1 1 A 13 13 LEU CB C 13 42.352 44.551 -2.199 1 1 141 . 19 1 1 A 13 13 LEU N N 13 125.550 123.744 1.806 1 1 142 . 19 1 1 A 14 14 VAL H H 14 8.962 8.491 0.471 1 1 143 . 19 1 1 A 14 14 VAL HA H 14 3.859 3.993 -0.134 1 1 151 . 19 1 1 A 14 14 VAL C C 14 174.604 177.941 -3.337 1 1 152 . 19 1 1 A 14 14 VAL CA C 14 62.312 65.140 -2.828 1 1 153 . 19 1 1 A 14 14 VAL CB C 14 32.509 32.303 0.206 1 1 156 . 19 1 1 A 14 14 VAL N N 14 126.968 121.533 5.435 1 1 157 . 19 1 1 A 15 15 GLY H H 15 7.838 7.963 -0.125 1 1 158 . 19 1 1 A 15 15 GLY HA2 H 15 5.132 3.974 1.158 1 1 159 . 19 1 1 A 15 15 GLY HA3 H 15 3.730 3.985 -0.255 1 1 160 . 19 1 1 A 15 15 GLY C C 15 174.542 174.409 0.133 1 1 161 . 19 1 1 A 15 15 GLY CA C 15 43.446 45.101 -1.655 1 1 162 . 19 1 1 A 15 15 GLY N N 15 110.596 108.262 2.334 1 1 163 . 19 1 1 A 16 16 GLN H H 16 8.247 7.895 0.352 1 1 164 . 19 1 1 A 16 16 GLN HA H 16 4.347 4.313 0.034 1 1 171 . 19 1 1 A 16 16 GLN C C 16 174.876 175.463 -0.587 1 1 172 . 19 1 1 A 16 16 GLN CA C 16 54.656 57.925 -3.269 1 1 173 . 19 1 1 A 16 16 GLN CB C 16 30.321 27.787 2.534 1 1 175 . 19 1 1 A 16 16 GLN N N 16 120.522 116.708 3.814 1 1 177 . 19 1 1 A 17 17 GLU H H 17 8.149 8.310 -0.161 1 1 178 . 19 1 1 A 17 17 GLU HA H 17 3.938 4.064 -0.126 1 1 183 . 19 1 1 A 17 17 GLU C C 17 176.607 176.230 0.377 1 1 184 . 19 1 1 A 17 17 GLU CA C 17 57.117 56.534 0.583 1 1 185 . 19 1 1 A 17 17 GLU CB C 17 30.321 29.266 1.055 1 1 187 . 19 1 1 A 17 17 GLU N N 17 123.616 121.479 2.137 1 1 188 . 19 1 1 A 18 18 VAL H H 18 8.605 8.599 0.006 1 1 189 . 19 1 1 A 18 18 VAL HA H 18 4.047 4.445 -0.398 1 1 197 . 19 1 1 A 18 18 VAL C C 18 174.386 175.186 -0.800 1 1 198 . 19 1 1 A 18 18 VAL CA C 18 61.765 60.720 1.045 1 1 199 . 19 1 1 A 18 18 VAL CB C 18 32.782 32.707 0.075 1 1 202 . 19 1 1 A 18 18 VAL N N 18 125.936 120.423 5.513 1 1 203 . 19 1 1 A 19 19 LYS H H 19 8.461 8.878 -0.417 1 1 204 . 19 1 1 A 19 19 LYS HA H 19 4.624 4.947 -0.323 1 1 213 . 19 1 1 A 19 19 LYS C C 19 176.457 175.373 1.084 1 1 214 . 19 1 1 A 19 19 LYS CA C 19 53.562 54.530 -0.968 1 1 215 . 19 1 1 A 19 19 LYS CB C 19 34.423 35.908 -1.485 1 1 219 . 19 1 1 A 19 19 LYS N N 19 123.874 120.050 3.824 1 1 220 . 19 1 1 A 20 20 VAL H H 20 8.349 8.554 -0.205 1 1 221 . 19 1 1 A 20 20 VAL HA H 20 3.421 3.548 -0.127 1 1 229 . 19 1 1 A 20 20 VAL C C 20 177.624 177.262 0.362 1 1 230 . 19 1 1 A 20 20 VAL CA C 20 65.593 65.944 -0.351 1 1 231 . 19 1 1 A 20 20 VAL CB C 20 31.415 31.444 -0.029 1 1 234 . 19 1 1 A 20 20 VAL N N 20 120.393 121.086 -0.693 1 1 235 . 19 1 1 A 21 21 GLY H H 21 9.338 9.293 0.045 1 1 236 . 19 1 1 A 21 21 GLY HA2 H 21 4.566 4.037 0.529 1 1 237 . 19 1 1 A 21 21 GLY HA3 H 21 3.536 4.048 -0.512 1 1 238 . 19 1 1 A 21 21 GLY C C 21 174.160 174.424 -0.264 1 1 239 . 19 1 1 A 21 21 GLY CA C 21 44.539 45.509 -0.970 1 1 240 . 19 1 1 A 21 21 GLY N N 21 117.429 114.932 2.497 1 1 241 . 19 1 1 A 22 22 ASP H H 22 8.222 8.118 0.104 1 1 242 . 19 1 1 A 22 22 ASP HA H 22 4.650 4.631 0.019 1 1 245 . 19 1 1 A 22 22 ASP C C 22 176.231 175.779 0.452 1 1 246 . 19 1 1 A 22 22 ASP CA C 22 54.382 54.180 0.202 1 1 247 . 19 1 1 A 22 22 ASP CB C 22 40.985 41.283 -0.298 1 1 248 . 19 1 1 A 22 22 ASP N N 22 121.811 121.534 0.277 1 1 249 . 19 1 1 A 23 23 GLN H H 23 8.598 8.045 0.553 1 1 250 . 19 1 1 A 23 23 GLN HA H 23 4.224 4.347 -0.123 1 1 257 . 19 1 1 A 23 23 GLN C C 23 175.892 174.609 1.283 1 1 258 . 19 1 1 A 23 23 GLN CA C 23 55.203 58.277 -3.074 1 1 259 . 19 1 1 A 23 23 GLN CB C 23 28.954 27.811 1.143 1 1 261 . 19 1 1 A 23 23 GLN N N 23 119.491 117.139 2.352 1 1 263 . 19 1 1 A 24 24 ALA H H 24 8.664 8.304 0.360 1 1 264 . 19 1 1 A 24 24 ALA HA H 24 4.030 4.957 -0.927 1 1 268 . 19 1 1 A 24 24 ALA C C 24 174.386 177.082 -2.696 1 1 269 . 19 1 1 A 24 24 ALA CA C 24 51.101 49.472 1.629 1 1 270 . 19 1 1 A 24 24 ALA CB C 24 19.111 21.489 -2.378 1 1 271 . 19 1 1 A 24 24 ALA N N 24 129.804 122.642 7.162 1 1 272 . 19 1 1 A 25 25 PRO HA H 25 4.422 4.327 0.095 1 1 279 . 19 1 1 A 25 25 PRO C C 25 173.596 176.832 -3.236 1 1 280 . 19 1 1 A 25 25 PRO CA C 25 61.765 64.785 -3.020 1 1 281 . 19 1 1 A 25 25 PRO CB C 25 32.509 32.026 0.483 1 1 284 . 19 1 1 A 26 26 ASP H H 26 7.546 8.147 -0.601 1 1 285 . 19 1 1 A 26 26 ASP HA H 26 4.411 4.036 0.375 1 1 288 . 19 1 1 A 26 26 ASP C C 26 175.591 175.492 0.099 1 1 289 . 19 1 1 A 26 26 ASP CA C 26 54.656 54.711 -0.055 1 1 290 . 19 1 1 A 26 26 ASP CB C 26 42.625 38.993 3.632 1 1 291 . 19 1 1 A 26 26 ASP N N 26 114.979 118.628 -3.649 1 1 292 . 19 1 1 A 27 27 PHE H H 27 7.379 7.346 0.033 1 1 293 . 19 1 1 A 27 27 PHE HA H 27 4.659 4.603 0.056 1 1 295 . 19 1 1 A 27 27 PHE C C 27 173.407 174.729 -1.322 1 1 296 . 19 1 1 A 27 27 PHE CA C 27 56.570 56.624 -0.054 1 1 297 . 19 1 1 A 27 27 PHE CB C 27 39.891 40.071 -0.180 1 1 298 . 19 1 1 A 27 27 PHE N N 27 113.561 115.856 -2.295 1 1 299 . 19 1 1 A 28 28 THR H H 28 8.540 8.657 -0.117 1 1 300 . 19 1 1 A 28 28 THR HA H 28 4.936 5.272 -0.336 1 1 305 . 19 1 1 A 28 28 THR C C 28 173.443 173.913 -0.470 1 1 306 . 19 1 1 A 28 28 THR CA C 28 62.889 61.213 1.676 1 1 307 . 19 1 1 A 28 28 THR CB C 28 72.155 71.939 0.216 1 1 309 . 19 1 1 A 28 28 THR N N 28 114.593 114.749 -0.156 1 1 310 . 19 1 1 A 29 29 VAL H H 29 9.120 9.167 -0.047 1 1 311 . 19 1 1 A 29 29 VAL HA H 29 4.863 5.054 -0.191 1 1 319 . 19 1 1 A 29 29 VAL C C 29 173.558 173.414 0.144 1 1 320 . 19 1 1 A 29 29 VAL CA C 29 59.527 59.401 0.126 1 1 321 . 19 1 1 A 29 29 VAL CB C 29 35.243 36.295 -1.052 1 1 324 . 19 1 1 A 29 29 VAL N N 29 119.233 117.242 1.991 1 1 325 . 19 1 1 A 30 30 LEU H H 30 8.565 8.817 -0.252 1 1 326 . 19 1 1 A 30 30 LEU HA H 30 5.615 5.499 0.116 1 1 336 . 19 1 1 A 30 30 LEU C C 30 180.310 176.517 3.793 1 1 337 . 19 1 1 A 30 30 LEU CA C 30 53.562 53.075 0.487 1 1 338 . 19 1 1 A 30 30 LEU CB C 30 47.547 45.428 2.119 1 1 342 . 19 1 1 A 30 30 LEU N N 30 117.429 124.318 -6.889 1 1 343 . 19 1 1 A 31 31 THR H H 31 9.587 9.062 0.525 1 1 344 . 19 1 1 A 31 31 THR HA H 31 4.741 4.639 0.102 1 1 349 . 19 1 1 A 31 31 THR C C 31 176.457 176.382 0.075 1 1 350 . 19 1 1 A 31 31 THR CA C 31 60.632 60.632 0.000 1 1 351 . 19 1 1 A 31 31 THR CB C 31 71.451 71.304 0.147 1 1 353 . 19 1 1 A 31 31 THR N N 31 114.721 115.079 -0.358 1 1 354 . 19 1 1 A 32 32 ASN H H 32 9.812 9.024 0.788 1 1 355 . 19 1 1 A 32 32 ASN HA H 32 4.352 4.515 -0.163 1 1 358 . 19 1 1 A 32 32 ASN C C 32 175.252 176.437 -1.185 1 1 359 . 19 1 1 A 32 32 ASN CA C 32 55.476 55.589 -0.113 1 1 360 . 19 1 1 A 32 32 ASN CB C 32 38.524 37.899 0.625 1 1 361 . 19 1 1 A 32 32 ASN N N 32 118.460 119.822 -1.362 1 1 362 . 19 1 1 A 33 33 SER H H 33 7.782 7.835 -0.053 1 1 363 . 19 1 1 A 33 33 SER HA H 33 4.562 4.571 -0.009 1 1 366 . 19 1 1 A 33 33 SER C C 33 173.822 173.333 0.489 1 1 367 . 19 1 1 A 33 33 SER CA C 33 57.390 58.281 -0.891 1 1 368 . 19 1 1 A 33 33 SER CB C 33 62.859 63.356 -0.497 1 1 369 . 19 1 1 A 33 33 SER N N 33 110.725 114.222 -3.497 1 1 370 . 19 1 1 A 34 34 LEU H H 34 8.342 8.101 0.241 1 1 371 . 19 1 1 A 34 34 LEU HA H 34 3.686 3.812 -0.126 1 1 381 . 19 1 1 A 34 34 LEU C C 34 175.516 175.223 0.293 1 1 382 . 19 1 1 A 34 34 LEU CA C 34 57.117 56.308 0.809 1 1 383 . 19 1 1 A 34 34 LEU CB C 34 37.430 39.690 -2.260 1 1 387 . 19 1 1 A 34 34 LEU N N 34 116.913 119.671 -2.758 1 1 388 . 19 1 1 A 35 35 GLU H H 35 7.538 7.685 -0.147 1 1 389 . 19 1 1 A 35 35 GLU HA H 35 4.546 4.861 -0.315 1 1 394 . 19 1 1 A 35 35 GLU C C 35 176.005 175.449 0.556 1 1 395 . 19 1 1 A 35 35 GLU CA C 35 54.929 54.642 0.287 1 1 396 . 19 1 1 A 35 35 GLU CB C 35 30.868 33.160 -2.292 1 1 398 . 19 1 1 A 35 35 GLU N N 35 117.429 116.898 0.531 1 1 399 . 19 1 1 A 36 36 GLU H H 36 8.681 8.525 0.156 1 1 400 . 19 1 1 A 36 36 GLU HA H 36 4.740 4.663 0.077 1 1 405 . 19 1 1 A 36 36 GLU C C 36 176.833 176.033 0.800 1 1 406 . 19 1 1 A 36 36 GLU CA C 36 56.923 57.265 -0.342 1 1 407 . 19 1 1 A 36 36 GLU CB C 36 30.868 30.396 0.472 1 1 409 . 19 1 1 A 36 36 GLU N N 36 121.296 121.984 -0.688 1 1 410 . 19 1 1 A 37 37 LYS H H 37 9.122 8.423 0.699 1 1 411 . 19 1 1 A 37 37 LYS HA H 37 4.639 4.884 -0.245 1 1 420 . 19 1 1 A 37 37 LYS C C 37 173.671 174.377 -0.706 1 1 421 . 19 1 1 A 37 37 LYS CA C 37 55.476 55.436 0.040 1 1 422 . 19 1 1 A 37 37 LYS CB C 37 35.243 36.440 -1.197 1 1 426 . 19 1 1 A 37 37 LYS N N 37 125.292 123.109 2.183 1 1 427 . 19 1 1 A 38 38 SER H H 38 9.337 8.451 0.886 1 1 428 . 19 1 1 A 38 38 SER HA H 38 5.310 4.989 0.321 1 1 431 . 19 1 1 A 38 38 SER C C 38 175.102 174.635 0.467 1 1 432 . 19 1 1 A 38 38 SER CA C 38 56.296 56.001 0.295 1 1 433 . 19 1 1 A 38 38 SER CB C 38 67.233 66.428 0.805 1 1 434 . 19 1 1 A 38 38 SER N N 38 121.811 117.861 3.950 1 1 435 . 19 1 1 A 39 39 LEU H H 39 7.023 8.106 -1.083 1 1 436 . 19 1 1 A 39 39 LEU HA H 39 3.872 3.679 0.193 1 1 446 . 19 1 1 A 39 39 LEU C C 39 179.845 178.241 1.604 1 1 447 . 19 1 1 A 39 39 LEU CA C 39 58.210 57.952 0.258 1 1 448 . 19 1 1 A 39 39 LEU CB C 39 40.711 40.704 0.007 1 1 452 . 19 1 1 A 39 39 LEU N N 39 121.811 122.541 -0.730 1 1 453 . 19 1 1 A 40 40 ALA H H 40 8.447 7.780 0.667 1 1 454 . 19 1 1 A 40 40 ALA HA H 40 3.890 3.951 -0.061 1 1 458 . 19 1 1 A 40 40 ALA C C 40 179.995 179.784 0.211 1 1 459 . 19 1 1 A 40 40 ALA CA C 40 55.203 54.647 0.556 1 1 460 . 19 1 1 A 40 40 ALA CB C 40 18.291 18.391 -0.100 1 1 461 . 19 1 1 A 40 40 ALA N N 40 119.362 119.503 -0.141 1 1 462 . 19 1 1 A 41 41 ASP H H 41 7.517 8.119 -0.602 1 1 463 . 19 1 1 A 41 41 ASP HA H 41 4.469 4.338 0.131 1 1 466 . 19 1 1 A 41 41 ASP C C 41 176.720 178.047 -1.327 1 1 467 . 19 1 1 A 41 41 ASP CA C 41 56.296 56.984 -0.688 1 1 468 . 19 1 1 A 41 41 ASP CB C 41 42.079 40.760 1.319 1 1 469 . 19 1 1 A 41 41 ASP N N 41 114.850 118.810 -3.960 1 1 470 . 19 1 1 A 42 42 MET H H 42 7.989 7.915 0.074 1 1 471 . 19 1 1 A 42 42 MET HA H 42 4.336 4.576 -0.240 1 1 479 . 19 1 1 A 42 42 MET C C 42 175.440 177.138 -1.698 1 1 480 . 19 1 1 A 42 42 MET CA C 42 56.843 57.966 -1.123 1 1 481 . 19 1 1 A 42 42 MET CB C 42 31.962 32.514 -0.552 1 1 484 . 19 1 1 A 42 42 MET N N 42 118.847 116.124 2.723 1 1 485 . 19 1 1 A 43 43 LYS H H 43 6.901 7.533 -0.632 1 1 486 . 19 1 1 A 43 43 LYS HA H 43 4.265 4.270 -0.005 1 1 494 . 19 1 1 A 43 43 LYS C C 43 177.435 177.501 -0.066 1 1 495 . 19 1 1 A 43 43 LYS CA C 43 57.664 58.616 -0.952 1 1 496 . 19 1 1 A 43 43 LYS CB C 43 33.329 32.388 0.941 1 1 500 . 19 1 1 A 43 43 LYS N N 43 116.913 119.606 -2.693 1 1 501 . 19 1 1 A 44 44 GLY H H 44 9.268 9.086 0.182 1 1 502 . 19 1 1 A 44 44 GLY HA2 H 44 3.692 4.015 -0.323 1 1 503 . 19 1 1 A 44 44 GLY HA3 H 44 4.596 4.015 0.581 1 1 504 . 19 1 1 A 44 44 GLY C C 44 173.671 173.304 0.367 1 1 505 . 19 1 1 A 44 44 GLY CA C 44 44.813 45.100 -0.287 1 1 506 . 19 1 1 A 44 44 GLY N N 44 111.112 112.069 -0.957 1 1 507 . 19 1 1 A 45 45 LYS H H 45 7.516 7.816 -0.300 1 1 508 . 19 1 1 A 45 45 LYS HA H 45 4.754 4.808 -0.054 1 1 515 . 19 1 1 A 45 45 LYS C C 45 175.214 174.357 0.857 1 1 516 . 19 1 1 A 45 45 LYS CA C 45 54.820 55.052 -0.232 1 1 517 . 19 1 1 A 45 45 LYS CB C 45 36.883 36.081 0.802 1 1 521 . 19 1 1 A 45 45 LYS N N 45 117.944 121.162 -3.218 1 1 522 . 19 1 1 A 46 46 VAL H H 46 8.887 8.537 0.350 1 1 523 . 19 1 1 A 46 46 VAL HA H 46 3.950 4.113 -0.163 1 1 531 . 19 1 1 A 46 46 VAL C C 46 174.876 176.076 -1.200 1 1 532 . 19 1 1 A 46 46 VAL CA C 46 64.773 62.132 2.641 1 1 533 . 19 1 1 A 46 46 VAL CB C 46 31.962 32.489 -0.527 1 1 536 . 19 1 1 A 46 46 VAL N N 46 124.776 122.387 2.389 1 1 537 . 19 1 1 A 47 47 THR H H 47 8.956 8.842 0.114 1 1 538 . 19 1 1 A 47 47 THR HA H 47 5.300 5.296 0.004 1 1 543 . 19 1 1 A 47 47 THR C C 47 172.579 173.636 -1.057 1 1 544 . 19 1 1 A 47 47 THR CA C 47 62.312 61.356 0.956 1 1 545 . 19 1 1 A 47 47 THR CB C 47 73.249 72.375 0.874 1 1 547 . 19 1 1 A 47 47 THR N N 47 124.132 118.202 5.930 1 1 548 . 19 1 1 A 48 48 ILE H H 48 9.160 9.167 -0.007 1 1 549 . 19 1 1 A 48 48 ILE HA H 48 4.740 4.992 -0.252 1 1 559 . 19 1 1 A 48 48 ILE C C 48 173.972 175.359 -1.387 1 1 560 . 19 1 1 A 48 48 ILE CA C 48 61.441 60.170 1.271 1 1 561 . 19 1 1 A 48 48 ILE CB C 48 40.438 42.122 -1.684 1 1 565 . 19 1 1 A 48 48 ILE N N 48 128.515 124.592 3.923 1 1 566 . 19 1 1 A 49 49 ILE H H 49 9.507 9.229 0.278 1 1 567 . 19 1 1 A 49 49 ILE HA H 49 4.883 4.951 -0.068 1 1 577 . 19 1 1 A 49 49 ILE C C 49 174.650 175.270 -0.620 1 1 578 . 19 1 1 A 49 49 ILE CA C 49 60.773 60.427 0.346 1 1 579 . 19 1 1 A 49 49 ILE CB C 49 41.532 41.134 0.398 1 1 583 . 19 1 1 A 49 49 ILE N N 49 126.194 127.350 -1.156 1 1 584 . 19 1 1 A 50 50 SER H H 50 9.079 9.202 -0.123 1 1 585 . 19 1 1 A 50 50 SER HA H 50 5.138 5.308 -0.170 1 1 588 . 19 1 1 A 50 50 SER C C 50 172.692 173.430 -0.738 1 1 589 . 19 1 1 A 50 50 SER CA C 50 56.843 58.489 -1.646 1 1 590 . 19 1 1 A 50 50 SER CB C 50 64.773 64.904 -0.131 1 1 591 . 19 1 1 A 50 50 SER N N 50 121.940 124.182 -2.242 1 1 592 . 19 1 1 A 51 51 VAL H H 51 9.010 8.677 0.333 1 1 593 . 19 1 1 A 51 51 VAL HA H 51 4.873 5.115 -0.242 1 1 601 . 19 1 1 A 51 51 VAL CA C 51 61.595 60.808 0.787 1 1 602 . 19 1 1 A 51 51 VAL CB C 51 32.509 35.800 -3.291 1 1 605 . 19 1 1 A 51 51 VAL N N 51 128.128 122.912 5.216 1 1 606 . 19 1 1 A 52 52 ILE H H 52 8.182 8.865 -0.683 1 1 607 . 19 1 1 A 52 52 ILE HA H 52 4.862 4.891 -0.029 1 1 616 . 19 1 1 A 52 52 ILE CA C 52 58.026 57.311 0.715 1 1 617 . 19 1 1 A 52 52 ILE CB C 52 43.172 39.801 3.371 1 1 621 . 19 1 1 A 52 52 ILE N N 52 124.776 122.361 2.415 1 1 622 . 19 1 1 A 53 53 PRO HA H 53 4.904 4.590 0.314 1 1 629 . 19 1 1 A 53 53 PRO CA C 53 65.560 64.849 0.711 1 1 630 . 19 1 1 A 53 53 PRO CB C 53 31.826 32.197 -0.371 1 1 633 . 19 1 1 A 54 54 SER H H 54 7.214 7.712 -0.498 1 1 634 . 19 1 1 A 54 54 SER HA H 54 5.100 4.795 0.305 1 1 637 . 19 1 1 A 54 54 SER CA C 54 57.417 57.463 -0.046 1 1 638 . 19 1 1 A 54 54 SER CB C 54 65.195 67.030 -1.835 1 1 639 . 19 1 1 A 54 54 SER N N 54 107.901 112.711 -4.810 1 1 640 . 19 1 1 A 55 55 ILE H H 55 7.330 8.295 -0.965 1 1 641 . 19 1 1 A 55 55 ILE HA H 55 5.075 3.959 1.116 1 1 651 . 19 1 1 A 55 55 ILE CA C 55 61.734 63.768 -2.034 1 1 652 . 19 1 1 A 55 55 ILE CB C 55 36.233 38.049 -1.816 1 1 656 . 19 1 1 A 56 56 ASP H H 56 8.699 7.905 0.794 1 1 657 . 19 1 1 A 56 56 ASP HA H 56 5.075 4.396 0.679 1 1 660 . 19 1 1 A 56 56 ASP CA C 56 54.407 56.118 -1.711 1 1 661 . 19 1 1 A 56 56 ASP CB C 56 42.832 40.965 1.867 1 1 662 . 19 1 1 A 56 56 ASP N N 56 121.940 121.211 0.729 1 1 663 . 19 1 1 A 57 57 THR H H 57 7.294 7.574 -0.280 1 1 664 . 19 1 1 A 57 57 THR HA H 57 4.323 4.267 0.056 1 1 669 . 19 1 1 A 57 57 THR C C 57 175.440 175.846 -0.406 1 1 670 . 19 1 1 A 57 57 THR CA C 57 61.765 60.944 0.821 1 1 671 . 19 1 1 A 57 57 THR CB C 57 69.421 70.235 -0.814 1 1 673 . 19 1 1 A 57 57 THR N N 57 108.921 109.934 -1.013 1 1 674 . 19 1 1 A 58 58 GLY H H 58 8.215 8.731 -0.516 1 1 675 . 19 1 1 A 58 58 GLY HA2 H 58 4.012 3.827 0.185 1 1 676 . 19 1 1 A 58 58 GLY HA3 H 58 4.012 3.828 0.184 1 1 677 . 19 1 1 A 58 58 GLY C C 58 173.520 176.099 -2.579 1 1 678 . 19 1 1 A 58 58 GLY CA C 58 45.360 46.945 -1.585 1 1 679 . 19 1 1 A 58 58 GLY N N 58 110.969 109.968 1.001 1 1 680 . 19 1 1 A 59 59 VAL H H 59 7.976 8.163 -0.187 1 1 681 . 19 1 1 A 59 59 VAL HA H 59 4.307 3.827 0.480 1 1 689 . 19 1 1 A 59 59 VAL C C 59 175.854 177.718 -1.864 1 1 690 . 19 1 1 A 59 59 VAL CA C 59 61.765 65.034 -3.269 1 1 691 . 19 1 1 A 59 59 VAL CB C 59 33.329 31.024 2.305 1 1 694 . 19 1 1 A 59 59 VAL N N 59 118.501 119.005 -0.504 1 1 696 . 19 1 1 A 61 61 ASP HA H 61 4.323 4.898 -0.575 1 1 697 . 19 1 1 A 61 61 ASP CA C 61 54.382 55.424 -1.042 1 1 698 . 19 1 1 A 61 61 ASP CB C 61 39.142 42.657 -3.515 1 1 699 . 19 1 1 A 62 62 ALA H H 62 8.663 8.245 0.418 1 1 700 . 19 1 1 A 62 62 ALA HA H 62 3.971 4.022 -0.051 1 1 704 . 19 1 1 A 62 62 ALA C C 62 180.485 177.791 2.694 1 1 705 . 19 1 1 A 62 62 ALA CA C 62 55.203 54.343 0.860 1 1 706 . 19 1 1 A 62 62 ALA CB C 62 18.838 18.621 0.217 1 1 707 . 19 1 1 A 63 63 GLN H H 63 8.550 7.501 1.049 1 1 708 . 19 1 1 A 63 63 GLN HA H 63 3.865 4.409 -0.544 1 1 715 . 19 1 1 A 63 63 GLN C C 63 178.527 177.523 1.004 1 1 716 . 19 1 1 A 63 63 GLN CA C 63 59.346 56.997 2.349 1 1 717 . 19 1 1 A 63 63 GLN CB C 63 28.635 31.386 -2.751 1 1 719 . 19 1 1 A 63 63 GLN N N 63 117.429 116.460 0.969 1 1 721 . 19 1 1 A 64 64 THR H H 64 8.121 8.035 0.086 1 1 722 . 19 1 1 A 64 64 THR HA H 64 3.624 3.846 -0.222 1 1 727 . 19 1 1 A 64 64 THR C C 64 178.527 175.889 2.638 1 1 728 . 19 1 1 A 64 64 THR CA C 64 66.686 67.504 -0.818 1 1 729 . 19 1 1 A 64 64 THR CB C 64 68.600 68.176 0.424 1 1 731 . 19 1 1 A 64 64 THR N N 64 118.460 116.570 1.890 1 1 732 . 19 1 1 A 65 65 ARG H H 65 7.530 8.071 -0.541 1 1 733 . 19 1 1 A 65 65 ARG HA H 65 3.904 3.886 0.018 1 1 739 . 19 1 1 A 65 65 ARG CA C 65 59.507 59.884 -0.377 1 1 740 . 19 1 1 A 65 65 ARG CB C 65 29.637 29.888 -0.251 1 1 743 . 19 1 1 A 66 66 ARG H H 66 7.972 7.607 0.365 1 1 744 . 19 1 1 A 66 66 ARG HA H 66 4.056 3.865 0.191 1 1 751 . 19 1 1 A 66 66 ARG C C 66 177.624 178.279 -0.655 1 1 752 . 19 1 1 A 66 66 ARG CA C 66 59.031 58.926 0.105 1 1 753 . 19 1 1 A 66 66 ARG CB C 66 29.228 29.577 -0.349 1 1 756 . 19 1 1 A 66 66 ARG N N 66 118.460 119.565 -1.105 1 1 757 . 19 1 1 A 67 67 PHE H H 67 7.673 8.271 -0.598 1 1 758 . 19 1 1 A 67 67 PHE HA H 67 4.260 4.074 0.186 1 1 763 . 19 1 1 A 67 67 PHE C C 67 176.043 177.616 -1.573 1 1 764 . 19 1 1 A 67 67 PHE CA C 67 60.945 60.849 0.096 1 1 765 . 19 1 1 A 67 67 PHE CB C 67 39.071 39.084 -0.013 1 1 766 . 19 1 1 A 67 67 PHE N N 67 119.362 120.393 -1.031 1 1 767 . 19 1 1 A 68 68 ASN H H 68 7.688 8.229 -0.541 1 1 768 . 19 1 1 A 68 68 ASN HA H 68 4.150 3.880 0.270 1 1 771 . 19 1 1 A 68 68 ASN C C 68 177.172 177.630 -0.458 1 1 772 . 19 1 1 A 68 68 ASN CA C 68 55.750 56.161 -0.411 1 1 773 . 19 1 1 A 68 68 ASN CB C 68 37.977 37.654 0.323 1 1 774 . 19 1 1 A 68 68 ASN N N 68 117.042 117.171 -0.129 1 1 775 . 19 1 1 A 69 69 GLU H H 69 8.185 8.606 -0.421 1 1 776 . 19 1 1 A 69 69 GLU HA H 69 3.848 3.953 -0.105 1 1 781 . 19 1 1 A 69 69 GLU C C 69 179.468 179.094 0.374 1 1 782 . 19 1 1 A 69 69 GLU CA C 69 59.577 59.691 -0.114 1 1 783 . 19 1 1 A 69 69 GLU CB C 69 30.321 29.002 1.319 1 1 785 . 19 1 1 A 69 69 GLU N N 69 118.975 119.543 -0.568 1 1 786 . 19 1 1 A 70 70 GLU H H 70 8.671 8.097 0.574 1 1 787 . 19 1 1 A 70 70 GLU HA H 70 3.807 3.969 -0.162 1 1 792 . 19 1 1 A 70 70 GLU C C 70 179.468 178.918 0.550 1 1 793 . 19 1 1 A 70 70 GLU CA C 70 58.757 59.358 -0.601 1 1 794 . 19 1 1 A 70 70 GLU CB C 70 29.501 29.634 -0.133 1 1 796 . 19 1 1 A 70 70 GLU N N 70 118.975 118.452 0.523 1 1 797 . 19 1 1 A 71 71 ALA H H 71 8.418 8.192 0.226 1 1 798 . 19 1 1 A 71 71 ALA HA H 71 3.616 3.993 -0.377 1 1 802 . 19 1 1 A 71 71 ALA C C 71 178.226 179.604 -1.378 1 1 803 . 19 1 1 A 71 71 ALA CA C 71 54.656 54.892 -0.236 1 1 804 . 19 1 1 A 71 71 ALA CB C 71 18.017 17.584 0.433 1 1 805 . 19 1 1 A 71 71 ALA N N 71 122.069 123.377 -1.308 1 1 806 . 19 1 1 A 72 72 ALA H H 72 7.520 8.028 -0.508 1 1 807 . 19 1 1 A 72 72 ALA HA H 72 3.842 3.965 -0.123 1 1 811 . 19 1 1 A 72 72 ALA C C 72 179.280 178.802 0.478 1 1 812 . 19 1 1 A 72 72 ALA CA C 72 54.109 54.780 -0.671 1 1 813 . 19 1 1 A 72 72 ALA CB C 72 18.564 18.204 0.360 1 1 814 . 19 1 1 A 72 72 ALA N N 72 116.139 119.684 -3.545 1 1 815 . 19 1 1 A 73 73 LYS H H 73 7.302 7.473 -0.171 1 1 816 . 19 1 1 A 73 73 LYS HA H 73 4.129 4.133 -0.004 1 1 825 . 19 1 1 A 73 73 LYS C C 73 177.661 179.212 -1.551 1 1 826 . 19 1 1 A 73 73 LYS CA C 73 57.116 58.470 -1.354 1 1 827 . 19 1 1 A 73 73 LYS CB C 73 32.782 32.182 0.600 1 1 831 . 19 1 1 A 73 73 LYS N N 73 114.850 117.068 -2.218 1 1 832 . 19 1 1 A 74 74 LEU H H 74 7.398 7.313 0.085 1 1 833 . 19 1 1 A 74 74 LEU HA H 74 3.983 4.017 -0.034 1 1 843 . 19 1 1 A 74 74 LEU C C 74 177.021 176.897 0.124 1 1 844 . 19 1 1 A 74 74 LEU CA C 74 56.843 57.114 -0.271 1 1 845 . 19 1 1 A 74 74 LEU CB C 74 42.625 42.672 -0.047 1 1 849 . 19 1 1 A 74 74 LEU N N 74 118.460 119.165 -0.705 1 1 850 . 19 1 1 A 75 75 GLY H H 75 7.174 7.238 -0.064 1 1 851 . 19 1 1 A 75 75 GLY HA2 H 75 4.215 4.053 0.162 1 1 852 . 19 1 1 A 75 75 GLY HA3 H 75 3.630 4.057 -0.427 1 1 853 . 19 1 1 A 75 75 GLY C C 75 172.805 172.687 0.118 1 1 854 . 19 1 1 A 75 75 GLY CA C 75 45.360 45.634 -0.274 1 1 855 . 19 1 1 A 75 75 GLY N N 75 102.991 104.104 -1.113 1 1 856 . 19 1 1 A 76 76 ASP H H 76 8.825 8.511 0.314 1 1 857 . 19 1 1 A 76 76 ASP HA H 76 4.766 4.721 0.045 1 1 860 . 19 1 1 A 76 76 ASP C C 76 173.749 175.776 -2.027 1 1 861 . 19 1 1 A 76 76 ASP CA C 76 53.708 53.121 0.587 1 1 862 . 19 1 1 A 76 76 ASP CB C 76 39.071 39.569 -0.498 1 1 863 . 19 1 1 A 76 76 ASP N N 76 126.839 120.781 6.058 1 1 864 . 19 1 1 A 77 77 VAL H H 77 7.511 7.270 0.241 1 1 865 . 19 1 1 A 77 77 VAL HA H 77 4.772 3.953 0.819 1 1 873 . 19 1 1 A 77 77 VAL C C 77 175.629 176.322 -0.693 1 1 874 . 19 1 1 A 77 77 VAL CA C 77 58.959 63.256 -4.297 1 1 875 . 19 1 1 A 77 77 VAL CB C 77 34.970 32.005 2.965 1 1 878 . 19 1 1 A 77 77 VAL N N 77 115.615 120.608 -4.993 1 1 879 . 19 1 1 A 78 78 ASN H H 78 8.822 8.681 0.141 1 1 880 . 19 1 1 A 78 78 ASN HA H 78 4.820 4.665 0.155 1 1 885 . 19 1 1 A 78 78 ASN C C 78 174.047 175.418 -1.371 1 1 886 . 19 1 1 A 78 78 ASN CA C 78 52.085 53.728 -1.643 1 1 887 . 19 1 1 A 78 78 ASN CB C 78 40.438 38.718 1.720 1 1 888 . 19 1 1 A 78 78 ASN N N 78 120.393 125.079 -4.686 1 1 890 . 19 1 1 A 79 79 VAL H H 79 8.044 8.586 -0.542 1 1 891 . 19 1 1 A 79 79 VAL HA H 79 4.669 4.854 -0.185 1 1 899 . 19 1 1 A 79 79 VAL C C 79 174.123 173.677 0.446 1 1 900 . 19 1 1 A 79 79 VAL CA C 79 61.491 60.046 1.445 1 1 901 . 19 1 1 A 79 79 VAL CB C 79 33.329 34.605 -1.276 1 1 904 . 19 1 1 A 79 79 VAL N N 79 122.456 117.381 5.075 1 1 905 . 19 1 1 A 80 80 TYR H H 80 8.944 8.766 0.178 1 1 906 . 19 1 1 A 80 80 TYR HA H 80 6.170 5.365 0.805 1 1 911 . 19 1 1 A 80 80 TYR C C 80 177.210 175.133 2.077 1 1 912 . 19 1 1 A 80 80 TYR CA C 80 54.929 55.845 -0.916 1 1 913 . 19 1 1 A 80 80 TYR CB C 80 42.899 43.010 -0.111 1 1 914 . 19 1 1 A 80 80 TYR N N 80 123.229 124.012 -0.783 1 1 915 . 19 1 1 A 81 81 THR H H 81 8.465 8.605 -0.140 1 1 916 . 19 1 1 A 81 81 THR HA H 81 5.652 5.300 0.352 1 1 921 . 19 1 1 A 81 81 THR C C 81 172.880 172.880 0.000 1 1 922 . 19 1 1 A 81 81 THR CA C 81 62.038 61.593 0.445 1 1 923 . 19 1 1 A 81 81 THR CB C 81 71.608 71.713 -0.105 1 1 925 . 19 1 1 A 81 81 THR N N 81 119.491 115.109 4.382 1 1 926 . 19 1 1 A 82 82 ILE H H 82 8.958 9.256 -0.298 1 1 927 . 19 1 1 A 82 82 ILE HA H 82 5.145 5.121 0.024 1 1 937 . 19 1 1 A 82 82 ILE C C 82 174.123 174.711 -0.588 1 1 938 . 19 1 1 A 82 82 ILE CA C 82 59.847 60.121 -0.274 1 1 939 . 19 1 1 A 82 82 ILE CB C 82 39.618 39.744 -0.126 1 1 943 . 19 1 1 A 82 82 ILE N N 82 125.550 129.318 -3.768 1 1 944 . 19 1 1 A 83 83 SER H H 83 7.731 8.689 -0.958 1 1 945 . 19 1 1 A 83 83 SER HA H 83 4.909 5.151 -0.242 1 1 948 . 19 1 1 A 83 83 SER C C 83 173.182 173.320 -0.138 1 1 949 . 19 1 1 A 83 83 SER CA C 83 57.034 57.950 -0.916 1 1 950 . 19 1 1 A 83 83 SER CB C 83 68.054 67.363 0.691 1 1 951 . 19 1 1 A 83 83 SER N N 83 117.171 121.206 -4.035 1 1 952 . 19 1 1 A 84 84 ALA H H 84 9.548 8.667 0.881 1 1 953 . 19 1 1 A 84 84 ALA HA H 84 4.177 4.438 -0.261 1 1 957 . 19 1 1 A 84 84 ALA C C 84 175.290 176.909 -1.619 1 1 958 . 19 1 1 A 84 84 ALA CA C 84 51.922 51.850 0.072 1 1 959 . 19 1 1 A 84 84 ALA CB C 84 19.111 19.930 -0.819 1 1 960 . 19 1 1 A 84 84 ALA N N 84 120.651 125.250 -4.599 1 1 961 . 19 1 1 A 85 85 ASP H H 85 7.739 8.403 -0.664 1 1 962 . 19 1 1 A 85 85 ASP HA H 85 4.380 4.952 -0.572 1 1 965 . 19 1 1 A 85 85 ASP C C 85 175.591 175.657 -0.066 1 1 966 . 19 1 1 A 85 85 ASP CA C 85 55.136 52.917 2.219 1 1 967 . 19 1 1 A 85 85 ASP CB C 85 43.011 41.632 1.379 1 1 968 . 19 1 1 A 85 85 ASP N N 85 114.721 119.772 -5.051 1 1 969 . 19 1 1 A 86 86 LEU H H 86 8.475 7.154 1.321 1 1 970 . 19 1 1 A 86 86 LEU HA H 86 3.956 4.328 -0.372 1 1 980 . 19 1 1 A 86 86 LEU CA C 86 54.656 53.362 1.294 1 1 981 . 19 1 1 A 86 86 LEU CB C 86 39.380 41.001 -1.621 1 1 985 . 19 1 1 A 87 87 PRO HA H 87 4.225 4.158 0.067 1 1 992 . 19 1 1 A 87 87 PRO CA C 87 65.046 64.505 0.541 1 1 993 . 19 1 1 A 87 87 PRO CB C 87 32.264 31.529 0.735 1 1 996 . 19 1 1 A 88 88 PHE H H 88 5.565 7.367 -1.802 1 1 997 . 19 1 1 A 88 88 PHE HA H 88 4.340 4.333 0.007 1 1 1000 . 19 1 1 A 88 88 PHE CA C 88 57.664 59.717 -2.053 1 1 1001 . 19 1 1 A 88 88 PHE CB C 88 39.344 38.531 0.813 1 1 1002 . 19 1 1 A 88 88 PHE N N 88 110.725 115.894 -5.169 1 1 1003 . 19 1 1 A 89 89 ALA H H 89 7.381 8.108 -0.727 1 1 1004 . 19 1 1 A 89 89 ALA HA H 89 4.239 4.070 0.169 1 1 1008 . 19 1 1 A 89 89 ALA CA C 89 52.009 54.471 -2.462 1 1 1009 . 19 1 1 A 89 89 ALA CB C 89 19.761 17.913 1.848 1 1 1010 . 19 1 1 A 89 89 ALA N N 89 114.850 121.132 -6.282 1 1 1011 . 19 1 1 A 90 90 GLN H H 90 7.231 8.767 -1.536 1 1 1012 . 19 1 1 A 90 90 GLN HA H 90 3.695 4.548 -0.853 1 1 1018 . 19 1 1 A 90 90 GLN CA C 90 59.578 55.905 3.673 1 1 1019 . 19 1 1 A 90 90 GLN CB C 90 28.728 30.957 -2.229 1 1 1022 . 19 1 1 A 91 91 ALA H H 91 7.741 7.949 -0.208 1 1 1023 . 19 1 1 A 91 91 ALA HA H 91 4.202 3.844 0.358 1 1 1027 . 19 1 1 A 91 91 ALA CA C 91 54.382 54.803 -0.421 1 1 1028 . 19 1 1 A 91 91 ALA CB C 91 18.837 18.296 0.541 1 1 1029 . 19 1 1 A 91 91 ALA N N 91 118.589 122.355 -3.766 1 1 1030 . 19 1 1 A 92 92 ARG H H 92 7.354 7.824 -0.470 1 1 1031 . 19 1 1 A 92 92 ARG HA H 92 4.588 3.699 0.889 1 1 1038 . 19 1 1 A 92 92 ARG CA C 92 55.476 58.510 -3.034 1 1 1039 . 19 1 1 A 92 92 ARG CB C 92 30.048 29.900 0.148 1 1 1042 . 19 1 1 A 93 93 TRP H H 93 7.767 7.726 0.041 1 1 1043 . 19 1 1 A 93 93 TRP HA H 93 4.881 4.290 0.591 1 1 1050 . 19 1 1 A 93 93 TRP CA C 93 57.534 58.148 -0.614 1 1 1051 . 19 1 1 A 93 93 TRP CB C 93 29.501 26.912 2.589 1 1 1052 . 19 1 1 A 93 93 TRP N N 93 121.927 118.477 3.450 1 1 1054 . 19 1 1 A 94 94 CYS HA H 94 3.901 4.379 -0.478 1 1 1057 . 19 1 1 A 94 94 CYS CA C 94 59.577 59.137 0.440 1 1 1058 . 19 1 1 A 94 94 CYS CB C 94 43.446 42.154 1.292 1 1 1059 . 19 1 1 A 95 95 GLY HA2 H 95 5.122 3.985 1.137 1 1 1060 . 19 1 1 A 95 95 GLY HA3 H 95 3.691 4.005 -0.314 1 1 1061 . 19 1 1 A 95 95 GLY CA C 95 45.511 46.657 -1.146 1 1 1062 . 19 1 1 A 96 96 ALA H H 96 7.504 7.883 -0.379 1 1 1063 . 19 1 1 A 96 96 ALA HA H 96 4.412 4.418 -0.006 1 1 1067 . 19 1 1 A 96 96 ALA CA C 96 51.699 51.636 0.063 1 1 1068 . 19 1 1 A 96 96 ALA CB C 96 21.025 20.409 0.616 1 1 1069 . 19 1 1 A 96 96 ALA N N 96 121.579 119.606 1.973 1 1 1070 . 19 1 1 A 97 97 ASN H H 97 7.345 7.877 -0.532 1 1 1071 . 19 1 1 A 97 97 ASN HA H 97 4.551 4.747 -0.196 1 1 1076 . 19 1 1 A 97 97 ASN CA C 97 54.929 52.744 2.185 1 1 1077 . 19 1 1 A 97 97 ASN CB C 97 39.071 37.433 1.638 1 1 1079 . 19 1 1 A 98 98 GLY H H 98 8.890 8.076 0.814 1 1 1080 . 19 1 1 A 98 98 GLY HA2 H 98 3.796 4.026 -0.230 1 1 1081 . 19 1 1 A 98 98 GLY HA3 H 98 4.070 4.029 0.041 1 1 1082 . 19 1 1 A 98 98 GLY C C 98 174.160 173.662 0.498 1 1 1083 . 19 1 1 A 98 98 GLY CA C 98 45.841 45.417 0.424 1 1 1084 . 19 1 1 A 99 99 ILE H H 99 7.739 7.294 0.445 1 1 1085 . 19 1 1 A 99 99 ILE HA H 99 4.198 4.492 -0.294 1 1 1095 . 19 1 1 A 99 99 ILE C C 99 175.561 175.420 0.141 1 1 1096 . 19 1 1 A 99 99 ILE CA C 99 60.671 59.207 1.464 1 1 1097 . 19 1 1 A 99 99 ILE CB C 99 38.524 38.343 0.181 1 1 1101 . 19 1 1 A 99 99 ILE N N 99 120.780 115.644 5.136 1 1 1102 . 19 1 1 A 100 100 ASP H H 100 8.372 8.678 -0.306 1 1 1103 . 19 1 1 A 100 100 ASP HA H 100 4.426 4.093 0.333 1 1 1106 . 19 1 1 A 100 100 ASP C C 100 176.325 177.693 -1.368 1 1 1107 . 19 1 1 A 100 100 ASP CA C 100 56.023 57.192 -1.169 1 1 1108 . 19 1 1 A 100 100 ASP CB C 100 40.985 40.322 0.663 1 1 1109 . 19 1 1 A 100 100 ASP N N 100 126.194 125.545 0.649 1 1 1110 . 19 1 1 A 101 101 LYS H H 101 8.081 7.770 0.311 1 1 1111 . 19 1 1 A 101 101 LYS HA H 101 4.052 4.148 -0.096 1 1 1120 . 19 1 1 A 101 101 LYS C C 101 175.874 177.577 -1.703 1 1 1121 . 19 1 1 A 101 101 LYS CA C 101 58.210 58.616 -0.406 1 1 1122 . 19 1 1 A 101 101 LYS CB C 101 31.689 32.252 -0.563 1 1 1126 . 19 1 1 A 101 101 LYS N N 101 115.366 116.936 -1.570 1 1 1127 . 19 1 1 A 102 102 VAL H H 102 7.631 7.508 0.123 1 1 1128 . 19 1 1 A 102 102 VAL HA H 102 4.419 4.010 0.409 1 1 1136 . 19 1 1 A 102 102 VAL C C 102 175.145 175.158 -0.013 1 1 1137 . 19 1 1 A 102 102 VAL CA C 102 61.919 63.338 -1.419 1 1 1138 . 19 1 1 A 102 102 VAL CB C 102 32.782 31.782 1.000 1 1 1141 . 19 1 1 A 102 102 VAL N N 102 119.362 119.922 -0.560 1 1 1142 . 19 1 1 A 103 103 GLU H H 103 8.489 8.437 0.052 1 1 1143 . 19 1 1 A 103 103 GLU HA H 103 4.931 5.085 -0.154 1 1 1148 . 19 1 1 A 103 103 GLU C C 103 175.943 176.051 -0.108 1 1 1149 . 19 1 1 A 103 103 GLU CA C 103 55.140 54.582 0.558 1 1 1150 . 19 1 1 A 103 103 GLU CB C 103 33.329 33.059 0.270 1 1 1152 . 19 1 1 A 103 103 GLU N N 103 126.581 127.117 -0.536 1 1 1153 . 19 1 1 A 104 104 THR H H 104 8.690 8.676 0.014 1 1 1154 . 19 1 1 A 104 104 THR HA H 104 5.292 5.025 0.267 1 1 1159 . 19 1 1 A 104 104 THR C C 104 173.165 174.089 -0.924 1 1 1160 . 19 1 1 A 104 104 THR CA C 104 58.757 61.272 -2.515 1 1 1161 . 19 1 1 A 104 104 THR CB C 104 69.967 70.026 -0.059 1 1 1163 . 19 1 1 A 104 104 THR N N 104 114.979 117.550 -2.571 1 1 1164 . 19 1 1 A 105 105 LEU H H 105 8.635 8.880 -0.245 1 1 1165 . 19 1 1 A 105 105 LEU HA H 105 4.979 5.073 -0.094 1 1 1175 . 19 1 1 A 105 105 LEU C C 105 176.985 175.884 1.101 1 1 1176 . 19 1 1 A 105 105 LEU CA C 105 52.849 53.684 -0.835 1 1 1177 . 19 1 1 A 105 105 LEU CB C 105 45.633 45.524 0.109 1 1 1181 . 19 1 1 A 105 105 LEU N N 105 119.233 124.918 -5.685 1 1 1182 . 19 1 1 A 106 106 SER H H 106 9.670 9.346 0.324 1 1 1183 . 19 1 1 A 106 106 SER HA H 106 5.485 5.143 0.342 1 1 1186 . 19 1 1 A 106 106 SER C C 106 176.256 174.704 1.552 1 1 1187 . 19 1 1 A 106 106 SER CA C 106 56.570 56.864 -0.294 1 1 1188 . 19 1 1 A 106 106 SER CB C 106 65.593 63.614 1.979 1 1 1189 . 19 1 1 A 106 106 SER N N 106 114.979 119.685 -4.706 1 1 1190 . 19 1 1 A 107 107 ASP H H 107 8.764 7.963 0.801 1 1 1191 . 19 1 1 A 107 107 ASP HA H 107 5.517 4.157 1.360 1 1 1194 . 19 1 1 A 107 107 ASP CA C 107 52.753 57.393 -4.640 1 1 1195 . 19 1 1 A 107 107 ASP CB C 107 45.086 40.842 4.244 1 1 1196 . 19 1 1 A 107 107 ASP N N 107 132.898 123.284 9.614 1 1 1197 . 19 1 1 A 108 108 HIS H H 108 7.940 8.488 -0.548 1 1 1198 . 19 1 1 A 108 108 HIS HA H 108 4.075 4.013 0.062 1 1 1200 . 19 1 1 A 108 108 HIS CA C 108 59.577 59.904 -0.327 1 1 1201 . 19 1 1 A 108 108 HIS CB C 108 29.861 30.244 -0.383 1 1 1202 . 19 1 1 A 108 108 HIS N N 108 116.397 119.570 -3.173 1 1 1203 . 19 1 1 A 109 109 ARG HA H 109 4.214 4.012 0.202 1 1 1206 . 19 1 1 A 109 109 ARG CA C 109 59.031 59.187 -0.156 1 1 1207 . 19 1 1 A 109 109 ARG CB C 109 27.861 30.264 -2.403 1 1 1208 . 19 1 1 A 110 110 ASP HA H 110 4.867 4.846 0.021 1 1 1211 . 19 1 1 A 110 110 ASP C C 110 175.735 175.952 -0.217 1 1 1212 . 19 1 1 A 110 110 ASP CA C 110 53.708 53.932 -0.224 1 1 1213 . 19 1 1 A 110 110 ASP CB C 110 43.875 42.652 1.223 1 1 1214 . 19 1 1 A 111 111 MET H H 111 7.899 8.480 -0.581 1 1 1215 . 19 1 1 A 111 111 MET HA H 111 4.503 4.147 0.356 1 1 1221 . 19 1 1 A 111 111 MET C C 111 177.332 176.167 1.165 1 1 1222 . 19 1 1 A 111 111 MET CA C 111 56.570 56.746 -0.176 1 1 1223 . 19 1 1 A 111 111 MET CB C 111 30.868 32.169 -1.301 1 1 1226 . 19 1 1 A 111 111 MET N N 111 116.397 118.599 -2.202 1 1 1227 . 19 1 1 A 112 112 SER H H 112 7.931 8.027 -0.096 1 1 1228 . 19 1 1 A 112 112 SER HA H 112 4.248 4.112 0.136 1 1 1231 . 19 1 1 A 112 112 SER C C 112 179.173 175.695 3.478 1 1 1232 . 19 1 1 A 112 112 SER CA C 112 60.945 62.384 -1.439 1 1 1233 . 19 1 1 A 112 112 SER CB C 112 64.499 63.235 1.264 1 1 1234 . 19 1 1 A 112 112 SER N N 112 113.561 115.648 -2.087 1 1 1235 . 19 1 1 A 113 113 PHE H H 113 10.125 8.149 1.976 1 1 1236 . 19 1 1 A 113 113 PHE HA H 113 3.593 3.828 -0.235 1 1 1241 . 19 1 1 A 113 113 PHE C C 113 177.437 177.716 -0.279 1 1 1242 . 19 1 1 A 113 113 PHE CA C 113 62.312 61.218 1.094 1 1 1243 . 19 1 1 A 113 113 PHE CB C 113 37.704 38.311 -0.607 1 1 1244 . 19 1 1 A 113 113 PHE N N 113 125.550 122.512 3.038 1 1 1245 . 19 1 1 A 114 114 GLY H H 114 10.707 8.838 1.869 1 1 1246 . 19 1 1 A 114 114 GLY HA2 H 114 3.396 3.586 -0.190 1 1 1247 . 19 1 1 A 114 114 GLY HA3 H 114 3.218 3.618 -0.400 1 1 1248 . 19 1 1 A 114 114 GLY C C 114 175.735 175.664 0.071 1 1 1249 . 19 1 1 A 114 114 GLY CA C 114 48.641 47.209 1.432 1 1 1250 . 19 1 1 A 114 114 GLY N N 114 109.178 104.713 4.465 1 1 1251 . 19 1 1 A 115 115 GLU H H 115 8.251 8.249 0.002 1 1 1252 . 19 1 1 A 115 115 GLU HA H 115 4.431 4.183 0.248 1 1 1257 . 19 1 1 A 115 115 GLU C C 115 178.756 178.363 0.393 1 1 1258 . 19 1 1 A 115 115 GLU CA C 115 59.031 58.944 0.087 1 1 1259 . 19 1 1 A 115 115 GLU CB C 115 29.775 29.421 0.354 1 1 1261 . 19 1 1 A 115 115 GLU N N 115 120.522 121.414 -0.892 1 1 1262 . 19 1 1 A 116 116 ALA H H 116 7.895 8.378 -0.483 1 1 1263 . 19 1 1 A 116 116 ALA HA H 116 4.111 4.190 -0.079 1 1 1267 . 19 1 1 A 116 116 ALA C C 116 177.610 179.410 -1.800 1 1 1268 . 19 1 1 A 116 116 ALA CA C 116 55.476 55.100 0.376 1 1 1269 . 19 1 1 A 116 116 ALA CB C 116 18.838 18.243 0.595 1 1 1270 . 19 1 1 A 116 116 ALA N N 116 123.100 122.351 0.749 1 1 1271 . 19 1 1 A 117 117 PHE H H 117 8.161 7.651 0.510 1 1 1272 . 19 1 1 A 117 117 PHE HA H 117 4.262 4.428 -0.166 1 1 1277 . 19 1 1 A 117 117 PHE C C 117 175.353 175.556 -0.203 1 1 1278 . 19 1 1 A 117 117 PHE CA C 117 56.843 57.406 -0.563 1 1 1279 . 19 1 1 A 117 117 PHE CB C 117 38.251 38.455 -0.204 1 1 1280 . 19 1 1 A 117 117 PHE N N 117 113.432 112.585 0.847 1 1 1281 . 19 1 1 A 118 118 GLY H H 118 7.685 7.814 -0.129 1 1 1282 . 19 1 1 A 118 118 GLY HA2 H 118 3.544 3.989 -0.445 1 1 1283 . 19 1 1 A 118 118 GLY HA3 H 118 4.362 3.996 0.366 1 1 1284 . 19 1 1 A 118 118 GLY C C 118 174.901 175.378 -0.477 1 1 1285 . 19 1 1 A 118 118 GLY CA C 118 47.274 45.763 1.511 1 1 1286 . 19 1 1 A 118 118 GLY N N 118 112.143 107.970 4.173 1 1 1287 . 19 1 1 A 119 119 VAL H H 119 8.380 8.114 0.266 1 1 1288 . 19 1 1 A 119 119 VAL HA H 119 4.788 4.252 0.536 1 1 1296 . 19 1 1 A 119 119 VAL C C 119 174.901 176.256 -1.355 1 1 1297 . 19 1 1 A 119 119 VAL CA C 119 59.532 65.027 -5.495 1 1 1298 . 19 1 1 A 119 119 VAL CB C 119 32.509 31.624 0.885 1 1 1301 . 19 1 1 A 119 119 VAL N N 119 102.475 119.715 -17.240 1 1 1302 . 19 1 1 A 120 120 TYR H H 120 6.841 7.789 -0.948 1 1 1303 . 19 1 1 A 120 120 TYR HA H 120 4.484 4.572 -0.088 1 1 1308 . 19 1 1 A 120 120 TYR C C 120 173.443 175.134 -1.691 1 1 1309 . 19 1 1 A 120 120 TYR CA C 120 54.929 57.374 -2.445 1 1 1310 . 19 1 1 A 120 120 TYR CB C 120 37.704 38.482 -0.778 1 1 1311 . 19 1 1 A 120 120 TYR N N 120 124.518 124.732 -0.214 1 1 1312 . 19 1 1 A 121 121 ILE H H 121 9.244 9.069 0.175 1 1 1313 . 19 1 1 A 121 121 ILE HA H 121 4.419 3.998 0.421 1 1 1323 . 19 1 1 A 121 121 ILE C C 121 176.221 176.656 -0.435 1 1 1324 . 19 1 1 A 121 121 ILE CA C 121 62.014 61.939 0.075 1 1 1325 . 19 1 1 A 121 121 ILE CB C 121 37.704 37.211 0.493 1 1 1329 . 19 1 1 A 121 121 ILE N N 121 128.772 128.854 -0.082 1 1 1330 . 19 1 1 A 122 122 LYS H H 122 9.328 9.107 0.221 1 1 1331 . 19 1 1 A 122 122 LYS HA H 122 3.588 3.607 -0.019 1 1 1340 . 19 1 1 A 122 122 LYS C C 122 179.069 177.902 1.167 1 1 1341 . 19 1 1 A 122 122 LYS CA C 122 60.124 59.768 0.356 1 1 1342 . 19 1 1 A 122 122 LYS CB C 122 33.329 32.002 1.327 1 1 1346 . 19 1 1 A 122 122 LYS N N 122 134.955 129.845 5.110 1 1 1347 . 19 1 1 A 123 123 GLU H H 123 10.228 8.178 2.050 1 1 1348 . 19 1 1 A 123 123 GLU HA H 123 3.919 4.208 -0.289 1 1 1353 . 19 1 1 A 123 123 GLU C C 123 176.638 176.577 0.061 1 1 1354 . 19 1 1 A 123 123 GLU CA C 123 61.218 57.237 3.981 1 1 1355 . 19 1 1 A 123 123 GLU CB C 123 29.228 29.661 -0.433 1 1 1357 . 19 1 1 A 123 123 GLU N N 123 115.624 117.199 -1.575 1 1 1358 . 19 1 1 A 124 124 LEU H H 124 6.480 7.283 -0.803 1 1 1359 . 19 1 1 A 124 124 LEU HA H 124 4.464 4.506 -0.042 1 1 1369 . 19 1 1 A 124 124 LEU C C 124 175.403 176.706 -1.303 1 1 1370 . 19 1 1 A 124 124 LEU CA C 124 53.562 53.913 -0.351 1 1 1371 . 19 1 1 A 124 124 LEU CB C 124 44.813 44.035 0.778 1 1 1375 . 19 1 1 A 124 124 LEU N N 124 110.434 120.882 -10.448 1 1 1376 . 19 1 1 A 125 125 ARG H H 125 8.701 7.775 0.926 1 1 1377 . 19 1 1 A 125 125 ARG HA H 125 3.783 3.716 0.067 1 1 1380 . 19 1 1 A 125 125 ARG C C 125 173.029 175.367 -2.338 1 1 1381 . 19 1 1 A 125 125 ARG CA C 125 57.664 56.916 0.748 1 1 1382 . 19 1 1 A 125 125 ARG CB C 125 30.965 28.088 2.877 1 1 1383 . 19 1 1 A 125 125 ARG N N 125 121.940 117.715 4.225 1 1 1384 . 19 1 1 A 126 126 LEU H H 126 6.671 7.699 -1.028 1 1 1385 . 19 1 1 A 126 126 LEU HA H 126 4.621 4.946 -0.325 1 1 1395 . 19 1 1 A 126 126 LEU C C 126 174.203 175.105 -0.902 1 1 1396 . 19 1 1 A 126 126 LEU CA C 126 51.922 53.319 -1.397 1 1 1397 . 19 1 1 A 126 126 LEU CB C 126 46.727 46.257 0.470 1 1 1401 . 19 1 1 A 126 126 LEU N N 126 111.885 121.439 -9.554 1 1 1402 . 19 1 1 A 127 127 LEU H H 127 8.447 8.684 -0.237 1 1 1403 . 19 1 1 A 127 127 LEU HA H 127 5.153 4.428 0.725 1 1 1413 . 19 1 1 A 127 127 LEU C C 127 175.145 177.004 -1.859 1 1 1414 . 19 1 1 A 127 127 LEU CA C 127 52.742 55.208 -2.466 1 1 1415 . 19 1 1 A 127 127 LEU CB C 127 43.172 41.938 1.234 1 1 1419 . 19 1 1 A 127 127 LEU N N 127 118.983 124.878 -5.895 1 1 1420 . 19 1 1 A 128 128 ALA H H 128 9.160 8.817 0.343 1 1 1421 . 19 1 1 A 128 128 ALA HA H 128 3.843 4.425 -0.582 1 1 1425 . 19 1 1 A 128 128 ALA C C 128 176.603 177.203 -0.600 1 1 1426 . 19 1 1 A 128 128 ALA CA C 128 52.469 52.349 0.120 1 1 1427 . 19 1 1 A 128 128 ALA CB C 128 18.291 19.445 -1.154 1 1 1428 . 19 1 1 A 128 128 ALA N N 128 121.682 127.801 -6.119 1 1 1429 . 19 1 1 A 129 129 ARG H H 129 6.254 8.680 -2.426 1 1 1430 . 19 1 1 A 129 129 ARG HA H 129 4.700 4.378 0.322 1 1 1436 . 19 1 1 A 129 129 ARG C C 129 176.534 175.641 0.893 1 1 1437 . 19 1 1 A 129 129 ARG CA C 129 55.651 57.207 -1.556 1 1 1438 . 19 1 1 A 129 129 ARG CB C 129 29.775 30.789 -1.014 1 1 1441 . 19 1 1 A 129 129 ARG N N 129 120.393 124.307 -3.914 1 1 1442 . 19 1 1 A 130 130 SER H H 130 8.398 8.706 -0.308 1 1 1443 . 19 1 1 A 130 130 SER HA H 130 4.767 4.955 -0.188 1 1 1446 . 19 1 1 A 130 130 SER C C 130 172.957 172.864 0.093 1 1 1447 . 19 1 1 A 130 130 SER CA C 130 57.658 57.282 0.376 1 1 1448 . 19 1 1 A 130 130 SER CB C 130 63.679 66.145 -2.466 1 1 1449 . 19 1 1 A 130 130 SER N N 130 120.264 118.952 1.312 1 1 1450 . 19 1 1 A 131 131 VAL H H 131 7.838 7.810 0.028 1 1 1451 . 19 1 1 A 131 131 VAL HA H 131 5.086 4.835 0.251 1 1 1459 . 19 1 1 A 131 131 VAL C C 131 172.853 172.907 -0.054 1 1 1460 . 19 1 1 A 131 131 VAL CA C 131 60.746 60.142 0.604 1 1 1461 . 19 1 1 A 131 131 VAL CB C 131 36.610 35.310 1.300 1 1 1464 . 19 1 1 A 131 131 VAL N N 131 118.460 119.946 -1.486 1 1 1465 . 19 1 1 A 132 132 PHE H H 132 9.259 9.472 -0.213 1 1 1466 . 19 1 1 A 132 132 PHE HA H 132 5.583 5.601 -0.018 1 1 1470 . 19 1 1 A 132 132 PHE C C 132 174.797 174.940 -0.143 1 1 1471 . 19 1 1 A 132 132 PHE CA C 132 56.296 56.286 0.010 1 1 1472 . 19 1 1 A 132 132 PHE CB C 132 44.539 43.894 0.645 1 1 1473 . 19 1 1 A 132 132 PHE N N 132 121.682 124.568 -2.886 1 1 1474 . 19 1 1 A 133 133 VAL H H 133 8.907 8.725 0.182 1 1 1475 . 19 1 1 A 133 133 VAL HA H 133 5.331 5.126 0.205 1 1 1483 . 19 1 1 A 133 133 VAL C C 133 174.450 175.122 -0.672 1 1 1484 . 19 1 1 A 133 133 VAL CA C 133 61.491 60.722 0.769 1 1 1485 . 19 1 1 A 133 133 VAL CB C 133 34.696 36.047 -1.351 1 1 1488 . 19 1 1 A 133 133 VAL N N 133 119.878 120.300 -0.422 1 1 1489 . 19 1 1 A 134 134 LEU H H 134 9.976 9.290 0.686 1 1 1490 . 19 1 1 A 134 134 LEU HA H 134 5.680 5.298 0.382 1 1 1500 . 19 1 1 A 134 134 LEU C C 134 176.777 175.255 1.522 1 1 1501 . 19 1 1 A 134 134 LEU CA C 134 52.195 53.509 -1.314 1 1 1502 . 19 1 1 A 134 134 LEU CB C 134 44.813 45.844 -1.031 1 1 1506 . 19 1 1 A 134 134 LEU N N 134 129.417 126.711 2.706 1 1 1507 . 19 1 1 A 135 135 ASP H H 135 9.051 9.241 -0.190 1 1 1508 . 19 1 1 A 135 135 ASP HA H 135 4.708 4.738 -0.030 1 1 1511 . 19 1 1 A 135 135 ASP C C 135 177.193 177.329 -0.136 1 1 1512 . 19 1 1 A 135 135 ASP CA C 135 52.276 53.736 -1.460 1 1 1513 . 19 1 1 A 135 135 ASP CB C 135 40.711 42.157 -1.446 1 1 1514 . 19 1 1 A 135 135 ASP N N 135 119.362 124.938 -5.576 1 1 1515 . 19 1 1 A 136 136 GLU H H 136 9.970 8.910 1.060 1 1 1516 . 19 1 1 A 136 136 GLU HA H 136 3.953 4.025 -0.072 1 1 1521 . 19 1 1 A 136 136 GLU C C 136 177.055 177.796 -0.741 1 1 1522 . 19 1 1 A 136 136 GLU CA C 136 58.757 59.429 -0.672 1 1 1523 . 19 1 1 A 136 136 GLU CB C 136 28.681 29.401 -0.720 1 1 1525 . 19 1 1 A 136 136 GLU N N 136 116.011 124.044 -8.033 1 1 1526 . 19 1 1 A 137 137 ASN H H 137 8.514 8.296 0.218 1 1 1527 . 19 1 1 A 137 137 ASN HA H 137 5.026 4.692 0.334 1 1 1532 . 19 1 1 A 137 137 ASN C C 137 175.943 176.464 -0.521 1 1 1533 . 19 1 1 A 137 137 ASN CA C 137 52.753 52.469 0.284 1 1 1534 . 19 1 1 A 137 137 ASN CB C 137 40.164 37.871 2.293 1 1 1535 . 19 1 1 A 137 137 ASN N N 137 117.042 113.813 3.229 1 1 1537 . 19 1 1 A 138 138 GLY H H 138 8.430 8.525 -0.095 1 1 1538 . 19 1 1 A 138 138 GLY HA2 H 138 3.690 3.991 -0.301 1 1 1539 . 19 1 1 A 138 138 GLY HA3 H 138 4.213 4.026 0.187 1 1 1540 . 19 1 1 A 138 138 GLY C C 138 172.436 174.440 -2.004 1 1 1541 . 19 1 1 A 138 138 GLY CA C 138 46.180 44.960 1.220 1 1 1542 . 19 1 1 A 138 138 GLY N N 138 109.565 108.966 0.599 1 1 1543 . 19 1 1 A 139 139 LYS H H 139 8.573 7.982 0.591 1 1 1544 . 19 1 1 A 139 139 LYS HA H 139 4.472 4.292 0.180 1 1 1553 . 19 1 1 A 139 139 LYS C C 139 176.742 175.886 0.856 1 1 1554 . 19 1 1 A 139 139 LYS CA C 139 56.195 56.431 -0.236 1 1 1555 . 19 1 1 A 139 139 LYS CB C 139 32.782 32.945 -0.163 1 1 1559 . 19 1 1 A 139 139 LYS N N 139 123.358 122.205 1.153 1 1 1560 . 19 1 1 A 140 140 VAL H H 140 9.102 8.643 0.459 1 1 1561 . 19 1 1 A 140 140 VAL HA H 140 4.293 4.423 -0.130 1 1 1569 . 19 1 1 A 140 140 VAL C C 140 177.124 176.141 0.983 1 1 1570 . 19 1 1 A 140 140 VAL CA C 140 63.952 62.128 1.824 1 1 1571 . 19 1 1 A 140 140 VAL CB C 140 31.142 32.283 -1.141 1 1 1574 . 19 1 1 A 140 140 VAL N N 140 125.292 124.583 0.709 1 1 1575 . 19 1 1 A 141 141 VAL H H 141 9.332 9.453 -0.121 1 1 1576 . 19 1 1 A 141 141 VAL HA H 141 4.670 4.303 0.367 1 1 1584 . 19 1 1 A 141 141 VAL C C 141 175.249 175.062 0.187 1 1 1585 . 19 1 1 A 141 141 VAL CA C 141 61.491 62.880 -1.389 1 1 1586 . 19 1 1 A 141 141 VAL CB C 141 32.509 33.261 -0.752 1 1 1589 . 19 1 1 A 141 141 VAL N N 141 124.261 124.802 -0.541 1 1 1590 . 19 1 1 A 142 142 TYR H H 142 7.959 7.640 0.319 1 1 1591 . 19 1 1 A 142 142 TYR HA H 142 4.389 4.808 -0.419 1 1 1596 . 19 1 1 A 142 142 TYR C C 142 172.262 173.435 -1.173 1 1 1597 . 19 1 1 A 142 142 TYR CA C 142 58.757 57.943 0.814 1 1 1598 . 19 1 1 A 142 142 TYR CB C 142 41.805 41.772 0.033 1 1 1599 . 19 1 1 A 142 142 TYR N N 142 122.198 120.960 1.238 1 1 1600 . 19 1 1 A 143 143 ALA H H 143 7.642 7.908 -0.266 1 1 1601 . 19 1 1 A 143 143 ALA HA H 143 4.883 4.911 -0.028 1 1 1605 . 19 1 1 A 143 143 ALA C C 143 175.353 175.093 0.260 1 1 1606 . 19 1 1 A 143 143 ALA CA C 143 51.703 51.298 0.405 1 1 1607 . 19 1 1 A 143 143 ALA CB C 143 22.666 23.101 -0.435 1 1 1608 . 19 1 1 A 143 143 ALA N N 143 129.804 129.104 0.700 1 1 1609 . 19 1 1 A 144 144 GLU H H 144 8.292 8.202 0.090 1 1 1610 . 19 1 1 A 144 144 GLU HA H 144 4.297 4.897 -0.600 1 1 1615 . 19 1 1 A 144 144 GLU C C 144 173.860 173.915 -0.055 1 1 1616 . 19 1 1 A 144 144 GLU CA C 144 56.296 55.301 0.995 1 1 1617 . 19 1 1 A 144 144 GLU CB C 144 32.509 33.756 -1.247 1 1 1619 . 19 1 1 A 144 144 GLU N N 144 122.198 121.392 0.806 1 1 1620 . 19 1 1 A 145 145 TYR H H 145 9.006 8.980 0.026 1 1 1621 . 19 1 1 A 145 145 TYR HA H 145 4.125 5.077 -0.952 1 1 1626 . 19 1 1 A 145 145 TYR C C 145 175.164 174.999 0.165 1 1 1627 . 19 1 1 A 145 145 TYR CA C 145 57.117 56.675 0.442 1 1 1628 . 19 1 1 A 145 145 TYR CB C 145 38.251 40.541 -2.290 1 1 1629 . 19 1 1 A 145 145 TYR N N 145 128.128 124.268 3.860 1 1 1630 . 19 1 1 A 146 146 VAL H H 146 7.441 8.506 -1.065 1 1 1631 . 19 1 1 A 146 146 VAL HA H 146 3.672 4.063 -0.391 1 1 1639 . 19 1 1 A 146 146 VAL C C 146 176.777 176.401 0.376 1 1 1640 . 19 1 1 A 146 146 VAL CA C 146 64.226 63.672 0.554 1 1 1641 . 19 1 1 A 146 146 VAL CB C 146 30.868 32.058 -1.190 1 1 1644 . 19 1 1 A 146 146 VAL N N 146 125.808 126.281 -0.473 1 1 1645 . 19 1 1 A 147 147 SER H H 147 8.359 8.625 -0.266 1 1 1646 . 19 1 1 A 147 147 SER HA H 147 4.007 4.342 -0.335 1 1 1649 . 19 1 1 A 147 147 SER C C 147 172.123 175.147 -3.024 1 1 1650 . 19 1 1 A 147 147 SER CA C 147 63.132 60.955 2.177 1 1 1651 . 19 1 1 A 147 147 SER CB C 147 62.859 63.049 -0.190 1 1 1652 . 19 1 1 A 147 147 SER N N 147 121.425 120.778 0.647 1 1 1653 . 19 1 1 A 148 148 GLU H H 148 7.177 7.990 -0.813 1 1 1654 . 19 1 1 A 148 148 GLU HA H 148 5.055 4.746 0.309 1 1 1659 . 19 1 1 A 148 148 GLU C C 148 176.082 176.070 0.012 1 1 1660 . 19 1 1 A 148 148 GLU CA C 148 52.563 55.166 -2.603 1 1 1661 . 19 1 1 A 148 148 GLU CB C 148 29.774 30.490 -0.716 1 1 1663 . 19 1 1 A 148 148 GLU N N 148 119.620 120.972 -1.352 1 1 1664 . 19 1 1 A 149 149 ALA H H 149 9.142 9.237 -0.095 1 1 1665 . 19 1 1 A 149 149 ALA HA H 149 4.704 4.111 0.593 1 1 1669 . 19 1 1 A 149 149 ALA C C 149 177.437 178.571 -1.134 1 1 1670 . 19 1 1 A 149 149 ALA CA C 149 54.466 54.359 0.107 1 1 1671 . 19 1 1 A 149 149 ALA CB C 149 19.111 18.780 0.331 1 1 1672 . 19 1 1 A 149 149 ALA N N 149 127.741 128.313 -0.572 1 1 1673 . 19 1 1 A 150 150 THR H H 150 8.200 7.479 0.721 1 1 1674 . 19 1 1 A 150 150 THR HA H 150 4.393 4.061 0.332 1 1 1679 . 19 1 1 A 150 150 THR C C 150 174.554 173.579 0.975 1 1 1680 . 19 1 1 A 150 150 THR CA C 150 62.312 62.600 -0.288 1 1 1681 . 19 1 1 A 150 150 THR CB C 150 69.694 69.032 0.662 1 1 1683 . 19 1 1 A 150 150 THR N N 150 104.453 107.840 -3.387 1 1 1684 . 19 1 1 A 151 151 ASN H H 151 7.984 7.838 0.146 1 1 1685 . 19 1 1 A 151 151 ASN HA H 151 4.947 5.359 -0.412 1 1 1690 . 19 1 1 A 151 151 ASN C C 151 174.554 173.704 0.850 1 1 1691 . 19 1 1 A 151 151 ASN CA C 151 51.135 51.224 -0.089 1 1 1692 . 19 1 1 A 151 151 ASN CB C 151 39.344 41.894 -2.550 1 1 1693 . 19 1 1 A 151 151 ASN N N 151 123.487 118.979 4.508 1 1 1695 . 19 1 1 A 152 152 HIS H H 152 8.160 8.457 -0.297 1 1 1696 . 19 1 1 A 152 152 HIS HA H 152 4.731 5.333 -0.602 1 1 1700 . 19 1 1 A 152 152 HIS C C 152 174.381 173.908 0.473 1 1 1701 . 19 1 1 A 152 152 HIS CA C 152 54.854 53.067 1.787 1 1 1702 . 19 1 1 A 152 152 HIS CB C 152 31.415 32.593 -1.178 1 1 1703 . 19 1 1 A 152 152 HIS N N 152 116.139 115.358 0.781 1 1 1704 . 19 1 1 A 153 153 PRO HA H 153 4.335 4.531 -0.196 1 1 1709 . 19 1 1 A 153 153 PRO C C 153 173.894 176.263 -2.369 1 1 1710 . 19 1 1 A 153 153 PRO CA C 153 61.491 62.220 -0.729 1 1 1711 . 19 1 1 A 153 153 PRO CB C 153 32.782 32.704 0.078 1 1 1714 . 19 1 1 A 154 154 ASN H H 154 9.511 8.628 0.883 1 1 1715 . 19 1 1 A 154 154 ASN HA H 154 4.306 4.826 -0.520 1 1 1720 . 19 1 1 A 154 154 ASN C C 154 176.568 176.364 0.204 1 1 1721 . 19 1 1 A 154 154 ASN CA C 154 54.656 53.024 1.632 1 1 1722 . 19 1 1 A 154 154 ASN CB C 154 39.071 39.880 -0.809 1 1 1723 . 19 1 1 A 154 154 ASN N N 154 118.718 119.564 -0.846 1 1 1725 . 19 1 1 A 155 155 TYR H H 155 8.691 8.392 0.299 1 1 1726 . 19 1 1 A 155 155 TYR HA H 155 4.364 4.314 0.050 1 1 1731 . 19 1 1 A 155 155 TYR C C 155 176.256 177.010 -0.754 1 1 1732 . 19 1 1 A 155 155 TYR CA C 155 59.304 57.662 1.642 1 1 1733 . 19 1 1 A 155 155 TYR CB C 155 39.344 38.869 0.475 1 1 1734 . 19 1 1 A 155 155 TYR N N 155 125.421 124.795 0.626 1 1 1735 . 19 1 1 A 156 156 GLU H H 156 8.200 7.974 0.226 1 1 1736 . 19 1 1 A 156 156 GLU HA H 156 4.415 4.075 0.340 1 1 1741 . 19 1 1 A 156 156 GLU C C 156 178.583 179.149 -0.566 1 1 1742 . 19 1 1 A 156 156 GLU CA C 156 58.757 58.874 -0.117 1 1 1743 . 19 1 1 A 156 156 GLU CB C 156 30.868 29.051 1.817 1 1 1745 . 19 1 1 A 156 156 GLU N N 156 119.878 122.530 -2.652 1 1 1746 . 19 1 1 A 157 157 LYS H H 157 8.718 7.737 0.981 1 1 1747 . 19 1 1 A 157 157 LYS HA H 157 4.095 3.942 0.153 1 1 1756 . 19 1 1 A 157 157 LYS C C 157 176.152 175.136 1.016 1 1 1757 . 19 1 1 A 157 157 LYS CA C 157 60.398 61.234 -0.836 1 1 1758 . 19 1 1 A 157 157 LYS CB C 157 30.595 30.987 -0.392 1 1 1762 . 19 1 1 A 157 157 LYS N N 157 121.167 119.540 1.627 1 1 1763 . 19 1 1 A 158 158 PRO HA H 158 3.116 3.733 -0.617 1 1 1770 . 19 1 1 A 158 158 PRO C C 158 177.853 179.397 -1.544 1 1 1771 . 19 1 1 A 158 158 PRO CA C 158 65.319 64.720 0.599 1 1 1772 . 19 1 1 A 158 158 PRO CB C 158 30.595 30.486 0.109 1 1 1775 . 19 1 1 A 159 159 ILE H H 159 6.215 7.308 -1.093 1 1 1776 . 19 1 1 A 159 159 ILE HA H 159 3.594 3.918 -0.324 1 1 1786 . 19 1 1 A 159 159 ILE C C 159 177.610 177.819 -0.209 1 1 1787 . 19 1 1 A 159 159 ILE CA C 159 62.312 64.352 -2.040 1 1 1788 . 19 1 1 A 159 159 ILE CB C 159 35.516 38.065 -2.549 1 1 1792 . 19 1 1 A 159 159 ILE N N 159 113.948 116.639 -2.691 1 1 1793 . 19 1 1 A 160 160 GLU H H 160 7.572 8.541 -0.969 1 1 1794 . 19 1 1 A 160 160 GLU HA H 160 3.876 4.007 -0.131 1 1 1799 . 19 1 1 A 160 160 GLU C C 160 179.277 179.556 -0.279 1 1 1800 . 19 1 1 A 160 160 GLU CA C 160 59.304 59.527 -0.223 1 1 1801 . 19 1 1 A 160 160 GLU CB C 160 29.774 29.224 0.550 1 1 1803 . 19 1 1 A 160 160 GLU N N 160 119.104 120.734 -1.630 1 1 1804 . 19 1 1 A 161 161 ALA H H 161 7.902 7.914 -0.012 1 1 1805 . 19 1 1 A 161 161 ALA HA H 161 4.137 4.201 -0.064 1 1 1809 . 19 1 1 A 161 161 ALA C C 161 179.485 180.154 -0.669 1 1 1810 . 19 1 1 A 161 161 ALA CA C 161 54.656 55.001 -0.345 1 1 1811 . 19 1 1 A 161 161 ALA CB C 161 18.017 18.127 -0.110 1 1 1812 . 19 1 1 A 161 161 ALA N N 161 120.393 123.278 -2.885 1 1 1813 . 19 1 1 A 162 162 ALA H H 162 7.734 8.029 -0.295 1 1 1814 . 19 1 1 A 162 162 ALA HA H 162 3.950 4.114 -0.164 1 1 1818 . 19 1 1 A 162 162 ALA C C 162 179.485 179.754 -0.269 1 1 1819 . 19 1 1 A 162 162 ALA CA C 162 54.656 55.289 -0.633 1 1 1820 . 19 1 1 A 162 162 ALA CB C 162 19.111 18.229 0.882 1 1 1821 . 19 1 1 A 162 162 ALA N N 162 118.202 121.040 -2.838 1 1 1822 . 19 1 1 A 163 163 LYS H H 163 8.760 8.574 0.186 1 1 1823 . 19 1 1 A 163 163 LYS HA H 163 3.842 3.978 -0.136 1 1 1832 . 19 1 1 A 163 163 LYS C C 163 178.201 179.448 -1.247 1 1 1833 . 19 1 1 A 163 163 LYS CA C 163 59.578 59.310 0.268 1 1 1834 . 19 1 1 A 163 163 LYS CB C 163 32.782 32.175 0.607 1 1 1838 . 19 1 1 A 163 163 LYS N N 163 118.202 117.101 1.101 1 1 1839 . 19 1 1 A 164 164 ALA H H 164 7.216 8.330 -1.114 1 1 1840 . 19 1 1 A 164 164 ALA HA H 164 4.215 4.114 0.101 1 1 1844 . 19 1 1 A 164 164 ALA C C 164 178.339 179.022 -0.683 1 1 1845 . 19 1 1 A 164 164 ALA CA C 164 53.836 54.713 -0.877 1 1 1846 . 19 1 1 A 164 164 ALA CB C 164 18.291 18.677 -0.386 1 1 1847 . 19 1 1 A 164 164 ALA N N 164 117.557 121.649 -4.092 1 1 1848 . 19 1 1 A 165 165 LEU H H 165 7.503 7.550 -0.047 1 1 1849 . 19 1 1 A 165 165 LEU HA H 165 4.432 4.295 0.137 1 1 1859 . 19 1 1 A 165 165 LEU C C 165 177.714 178.796 -1.082 1 1 1860 . 19 1 1 A 165 165 LEU CA C 165 54.929 56.738 -1.809 1 1 1861 . 19 1 1 A 165 165 LEU CB C 165 44.256 42.416 1.840 1 1 1865 . 19 1 1 A 165 165 LEU N N 165 115.753 118.062 -2.309 1 1 1866 . 19 1 1 A 166 166 VAL H H 166 7.337 8.200 -0.863 1 1 1867 . 19 1 1 A 166 166 VAL HA H 166 4.103 3.516 0.587 1 1 1875 . 19 1 1 A 166 166 VAL C C 166 175.040 178.098 -3.058 1 1 1876 . 19 1 1 A 166 166 VAL CA C 166 62.859 66.964 -4.105 1 1 1877 . 19 1 1 A 166 166 VAL CB C 166 32.509 31.402 1.107 1 1 1880 . 19 1 1 A 166 166 VAL N N 166 118.589 119.089 -0.500 1 1 1 . 20 1 1 A 2 2 ALA HA H 2 3.876 4.224 -0.348 1 1 5 . 20 1 1 A 2 2 ALA C C 2 172.590 176.576 -3.986 1 1 6 . 20 1 1 A 2 2 ALA CA C 2 51.922 51.532 0.390 1 1 7 . 20 1 1 A 2 2 ALA CB C 2 18.924 17.104 1.820 1 1 8 . 20 1 1 A 3 3 GLU H H 3 8.262 8.468 -0.206 1 1 9 . 20 1 1 A 3 3 GLU HA H 3 4.641 4.332 0.309 1 1 14 . 20 1 1 A 3 3 GLU C C 3 175.157 175.892 -0.735 1 1 15 . 20 1 1 A 3 3 GLU CA C 3 55.476 56.687 -1.211 1 1 16 . 20 1 1 A 3 3 GLU CB C 3 31.142 30.551 0.591 1 1 18 . 20 1 1 A 3 3 GLU N N 3 121.167 121.439 -0.272 1 1 19 . 20 1 1 A 4 4 ILE H H 4 9.053 8.748 0.305 1 1 20 . 20 1 1 A 4 4 ILE HA H 4 5.361 5.131 0.230 1 1 30 . 20 1 1 A 4 4 ILE C C 4 175.817 174.875 0.942 1 1 31 . 20 1 1 A 4 4 ILE CA C 4 59.304 58.936 0.368 1 1 32 . 20 1 1 A 4 4 ILE CB C 4 42.079 42.765 -0.686 1 1 36 . 20 1 1 A 4 4 ILE N N 4 124.776 120.471 4.305 1 1 37 . 20 1 1 A 5 5 THR H H 5 8.977 8.097 0.880 1 1 38 . 20 1 1 A 5 5 THR HA H 5 5.141 5.507 -0.366 1 1 43 . 20 1 1 A 5 5 THR C C 5 173.483 173.273 0.210 1 1 44 . 20 1 1 A 5 5 THR CA C 5 59.304 61.191 -1.887 1 1 45 . 20 1 1 A 5 5 THR CB C 5 73.249 72.342 0.907 1 1 47 . 20 1 1 A 5 5 THR N N 5 112.659 115.078 -2.419 1 1 48 . 20 1 1 A 6 6 PHE H H 6 9.173 9.355 -0.182 1 1 49 . 20 1 1 A 6 6 PHE HA H 6 4.866 4.945 -0.079 1 1 53 . 20 1 1 A 6 6 PHE C C 6 175.591 174.734 0.857 1 1 54 . 20 1 1 A 6 6 PHE CA C 6 58.054 57.475 0.579 1 1 55 . 20 1 1 A 6 6 PHE CB C 6 42.625 42.558 0.067 1 1 56 . 20 1 1 A 6 6 PHE N N 6 119.362 124.812 -5.450 1 1 57 . 20 1 1 A 7 7 LYS H H 7 11.130 9.009 2.121 1 1 58 . 20 1 1 A 7 7 LYS HA H 7 3.567 3.762 -0.195 1 1 67 . 20 1 1 A 7 7 LYS C C 7 177.661 175.718 1.943 1 1 68 . 20 1 1 A 7 7 LYS CA C 7 57.390 57.067 0.323 1 1 69 . 20 1 1 A 7 7 LYS CB C 7 29.222 31.205 -1.983 1 1 73 . 20 1 1 A 7 7 LYS N N 7 134.058 126.789 7.269 1 1 74 . 20 1 1 A 8 8 GLY H H 8 8.965 8.924 0.041 1 1 75 . 20 1 1 A 8 8 GLY HA2 H 8 4.244 3.874 0.370 1 1 76 . 20 1 1 A 8 8 GLY HA3 H 8 3.528 3.875 -0.347 1 1 77 . 20 1 1 A 8 8 GLY C C 8 173.822 174.448 -0.626 1 1 78 . 20 1 1 A 8 8 GLY CA C 8 45.360 45.807 -0.447 1 1 79 . 20 1 1 A 8 8 GLY N N 8 104.280 105.327 -1.047 1 1 80 . 20 1 1 A 9 9 GLY H H 9 7.942 8.181 -0.239 1 1 81 . 20 1 1 A 9 9 GLY HA2 H 9 4.815 4.317 0.498 1 1 82 . 20 1 1 A 9 9 GLY HA3 H 9 3.715 4.346 -0.631 1 1 83 . 20 1 1 A 9 9 GLY C C 9 171.262 172.949 -1.687 1 1 84 . 20 1 1 A 9 9 GLY CA C 9 43.172 44.786 -1.614 1 1 85 . 20 1 1 A 9 9 GLY N N 9 109.823 107.816 2.007 1 1 86 . 20 1 1 A 10 10 PRO HA H 10 4.640 4.730 -0.090 1 1 93 . 20 1 1 A 10 10 PRO C C 10 177.097 176.368 0.729 1 1 94 . 20 1 1 A 10 10 PRO CA C 10 63.952 63.114 0.838 1 1 95 . 20 1 1 A 10 10 PRO CB C 10 32.509 32.423 0.086 1 1 98 . 20 1 1 A 11 11 VAL H H 11 7.770 8.649 -0.879 1 1 99 . 20 1 1 A 11 11 VAL HA H 11 4.632 5.093 -0.461 1 1 107 . 20 1 1 A 11 11 VAL C C 11 174.462 174.817 -0.355 1 1 108 . 20 1 1 A 11 11 VAL CA C 11 59.304 59.450 -0.146 1 1 109 . 20 1 1 A 11 11 VAL CB C 11 35.516 36.378 -0.862 1 1 112 . 20 1 1 A 11 11 VAL N N 11 115.495 116.673 -1.178 1 1 113 . 20 1 1 A 12 12 THR H H 12 10.773 8.525 2.248 1 1 114 . 20 1 1 A 12 12 THR HA H 12 4.425 4.943 -0.518 1 1 119 . 20 1 1 A 12 12 THR C C 12 173.505 173.386 0.119 1 1 120 . 20 1 1 A 12 12 THR CA C 12 62.312 60.847 1.465 1 1 121 . 20 1 1 A 12 12 THR CB C 12 69.694 72.516 -2.822 1 1 123 . 20 1 1 A 12 12 THR N N 12 121.940 115.909 6.031 1 1 124 . 20 1 1 A 13 13 LEU H H 13 8.524 8.678 -0.154 1 1 125 . 20 1 1 A 13 13 LEU HA H 13 5.132 4.722 0.410 1 1 135 . 20 1 1 A 13 13 LEU C C 13 177.285 176.979 0.306 1 1 136 . 20 1 1 A 13 13 LEU CA C 13 53.289 53.889 -0.600 1 1 137 . 20 1 1 A 13 13 LEU CB C 13 42.352 43.133 -0.781 1 1 141 . 20 1 1 A 13 13 LEU N N 13 125.550 124.452 1.098 1 1 142 . 20 1 1 A 14 14 VAL H H 14 8.962 8.940 0.022 1 1 143 . 20 1 1 A 14 14 VAL HA H 14 3.859 3.655 0.204 1 1 151 . 20 1 1 A 14 14 VAL C C 14 174.604 177.800 -3.196 1 1 152 . 20 1 1 A 14 14 VAL CA C 14 62.312 65.843 -3.531 1 1 153 . 20 1 1 A 14 14 VAL CB C 14 32.509 31.718 0.791 1 1 156 . 20 1 1 A 14 14 VAL N N 14 126.968 122.145 4.823 1 1 157 . 20 1 1 A 15 15 GLY H H 15 7.838 7.857 -0.019 1 1 158 . 20 1 1 A 15 15 GLY HA2 H 15 5.132 3.938 1.194 1 1 159 . 20 1 1 A 15 15 GLY HA3 H 15 3.730 3.956 -0.226 1 1 160 . 20 1 1 A 15 15 GLY C C 15 174.542 174.496 0.046 1 1 161 . 20 1 1 A 15 15 GLY CA C 15 43.446 45.098 -1.652 1 1 162 . 20 1 1 A 15 15 GLY N N 15 110.596 108.202 2.394 1 1 163 . 20 1 1 A 16 16 GLN H H 16 8.247 8.052 0.195 1 1 164 . 20 1 1 A 16 16 GLN HA H 16 4.347 4.022 0.325 1 1 171 . 20 1 1 A 16 16 GLN C C 16 174.876 174.736 0.140 1 1 172 . 20 1 1 A 16 16 GLN CA C 16 54.656 58.044 -3.388 1 1 173 . 20 1 1 A 16 16 GLN CB C 16 30.321 27.429 2.892 1 1 175 . 20 1 1 A 16 16 GLN N N 16 120.522 114.921 5.601 1 1 177 . 20 1 1 A 17 17 GLU H H 17 8.149 8.294 -0.145 1 1 178 . 20 1 1 A 17 17 GLU HA H 17 3.938 4.936 -0.998 1 1 183 . 20 1 1 A 17 17 GLU C C 17 176.607 175.507 1.100 1 1 184 . 20 1 1 A 17 17 GLU CA C 17 57.117 54.492 2.625 1 1 185 . 20 1 1 A 17 17 GLU CB C 17 30.321 32.209 -1.888 1 1 187 . 20 1 1 A 17 17 GLU N N 17 123.616 119.253 4.363 1 1 188 . 20 1 1 A 18 18 VAL H H 18 8.605 8.866 -0.261 1 1 189 . 20 1 1 A 18 18 VAL HA H 18 4.047 4.202 -0.155 1 1 197 . 20 1 1 A 18 18 VAL C C 18 174.386 175.283 -0.897 1 1 198 . 20 1 1 A 18 18 VAL CA C 18 61.765 61.664 0.101 1 1 199 . 20 1 1 A 18 18 VAL CB C 18 32.782 32.705 0.077 1 1 202 . 20 1 1 A 18 18 VAL N N 18 125.936 122.135 3.801 1 1 203 . 20 1 1 A 19 19 LYS H H 19 8.461 8.648 -0.187 1 1 204 . 20 1 1 A 19 19 LYS HA H 19 4.624 5.015 -0.391 1 1 213 . 20 1 1 A 19 19 LYS C C 19 176.457 175.319 1.138 1 1 214 . 20 1 1 A 19 19 LYS CA C 19 53.562 54.658 -1.096 1 1 215 . 20 1 1 A 19 19 LYS CB C 19 34.423 36.362 -1.939 1 1 219 . 20 1 1 A 19 19 LYS N N 19 123.874 121.781 2.093 1 1 220 . 20 1 1 A 20 20 VAL H H 20 8.349 8.604 -0.255 1 1 221 . 20 1 1 A 20 20 VAL HA H 20 3.421 3.573 -0.152 1 1 229 . 20 1 1 A 20 20 VAL C C 20 177.624 177.215 0.409 1 1 230 . 20 1 1 A 20 20 VAL CA C 20 65.593 65.986 -0.393 1 1 231 . 20 1 1 A 20 20 VAL CB C 20 31.415 31.482 -0.067 1 1 234 . 20 1 1 A 20 20 VAL N N 20 120.393 124.113 -3.720 1 1 235 . 20 1 1 A 21 21 GLY H H 21 9.338 9.441 -0.103 1 1 236 . 20 1 1 A 21 21 GLY HA2 H 21 4.566 4.047 0.519 1 1 237 . 20 1 1 A 21 21 GLY HA3 H 21 3.536 4.055 -0.519 1 1 238 . 20 1 1 A 21 21 GLY C C 21 174.160 174.455 -0.295 1 1 239 . 20 1 1 A 21 21 GLY CA C 21 44.539 45.433 -0.894 1 1 240 . 20 1 1 A 21 21 GLY N N 21 117.429 114.913 2.516 1 1 241 . 20 1 1 A 22 22 ASP H H 22 8.222 8.142 0.080 1 1 242 . 20 1 1 A 22 22 ASP HA H 22 4.650 4.649 0.001 1 1 245 . 20 1 1 A 22 22 ASP C C 22 176.231 176.005 0.226 1 1 246 . 20 1 1 A 22 22 ASP CA C 22 54.382 54.276 0.106 1 1 247 . 20 1 1 A 22 22 ASP CB C 22 40.985 41.398 -0.413 1 1 248 . 20 1 1 A 22 22 ASP N N 22 121.811 121.592 0.219 1 1 249 . 20 1 1 A 23 23 GLN H H 23 8.598 8.007 0.591 1 1 250 . 20 1 1 A 23 23 GLN HA H 23 4.224 4.045 0.179 1 1 257 . 20 1 1 A 23 23 GLN C C 23 175.892 174.838 1.054 1 1 258 . 20 1 1 A 23 23 GLN CA C 23 55.203 56.550 -1.347 1 1 259 . 20 1 1 A 23 23 GLN CB C 23 28.954 27.393 1.561 1 1 261 . 20 1 1 A 23 23 GLN N N 23 119.491 118.291 1.200 1 1 263 . 20 1 1 A 24 24 ALA H H 24 8.664 8.104 0.560 1 1 264 . 20 1 1 A 24 24 ALA HA H 24 4.030 4.186 -0.156 1 1 268 . 20 1 1 A 24 24 ALA C C 24 174.386 177.891 -3.505 1 1 269 . 20 1 1 A 24 24 ALA CA C 24 51.101 50.674 0.427 1 1 270 . 20 1 1 A 24 24 ALA CB C 24 19.111 18.572 0.539 1 1 271 . 20 1 1 A 24 24 ALA N N 24 129.804 128.815 0.989 1 1 272 . 20 1 1 A 25 25 PRO HA H 25 4.422 4.448 -0.026 1 1 279 . 20 1 1 A 25 25 PRO C C 25 173.596 176.868 -3.272 1 1 280 . 20 1 1 A 25 25 PRO CA C 25 61.765 64.469 -2.704 1 1 281 . 20 1 1 A 25 25 PRO CB C 25 32.509 32.025 0.484 1 1 284 . 20 1 1 A 26 26 ASP H H 26 7.546 7.917 -0.371 1 1 285 . 20 1 1 A 26 26 ASP HA H 26 4.411 4.661 -0.250 1 1 288 . 20 1 1 A 26 26 ASP C C 26 175.591 173.930 1.661 1 1 289 . 20 1 1 A 26 26 ASP CA C 26 54.656 54.258 0.398 1 1 290 . 20 1 1 A 26 26 ASP CB C 26 42.625 43.764 -1.139 1 1 291 . 20 1 1 A 26 26 ASP N N 26 114.979 114.290 0.689 1 1 292 . 20 1 1 A 27 27 PHE H H 27 7.379 8.441 -1.062 1 1 293 . 20 1 1 A 27 27 PHE HA H 27 4.659 5.449 -0.790 1 1 295 . 20 1 1 A 27 27 PHE C C 27 173.407 172.877 0.530 1 1 296 . 20 1 1 A 27 27 PHE CA C 27 56.570 55.772 0.798 1 1 297 . 20 1 1 A 27 27 PHE CB C 27 39.891 42.640 -2.749 1 1 298 . 20 1 1 A 27 27 PHE N N 27 113.561 120.225 -6.664 1 1 299 . 20 1 1 A 28 28 THR H H 28 8.540 8.803 -0.263 1 1 300 . 20 1 1 A 28 28 THR HA H 28 4.936 5.576 -0.640 1 1 305 . 20 1 1 A 28 28 THR C C 28 173.443 173.782 -0.339 1 1 306 . 20 1 1 A 28 28 THR CA C 28 62.889 61.512 1.377 1 1 307 . 20 1 1 A 28 28 THR CB C 28 72.155 72.066 0.089 1 1 309 . 20 1 1 A 28 28 THR N N 28 114.593 114.574 0.019 1 1 310 . 20 1 1 A 29 29 VAL H H 29 9.120 9.257 -0.137 1 1 311 . 20 1 1 A 29 29 VAL HA H 29 4.863 5.033 -0.170 1 1 319 . 20 1 1 A 29 29 VAL C C 29 173.558 174.309 -0.751 1 1 320 . 20 1 1 A 29 29 VAL CA C 29 59.527 59.383 0.144 1 1 321 . 20 1 1 A 29 29 VAL CB C 29 35.243 36.344 -1.101 1 1 324 . 20 1 1 A 29 29 VAL N N 29 119.233 118.849 0.384 1 1 325 . 20 1 1 A 30 30 LEU H H 30 8.565 9.056 -0.491 1 1 326 . 20 1 1 A 30 30 LEU HA H 30 5.615 5.226 0.389 1 1 336 . 20 1 1 A 30 30 LEU C C 30 180.310 177.218 3.092 1 1 337 . 20 1 1 A 30 30 LEU CA C 30 53.562 53.398 0.164 1 1 338 . 20 1 1 A 30 30 LEU CB C 30 47.547 43.949 3.598 1 1 342 . 20 1 1 A 30 30 LEU N N 30 117.429 122.369 -4.940 1 1 343 . 20 1 1 A 31 31 THR H H 31 9.587 8.692 0.895 1 1 344 . 20 1 1 A 31 31 THR HA H 31 4.741 4.612 0.129 1 1 349 . 20 1 1 A 31 31 THR C C 31 176.457 175.531 0.926 1 1 350 . 20 1 1 A 31 31 THR CA C 31 60.632 60.582 0.050 1 1 351 . 20 1 1 A 31 31 THR CB C 31 71.451 71.513 -0.062 1 1 353 . 20 1 1 A 31 31 THR N N 31 114.721 114.930 -0.209 1 1 354 . 20 1 1 A 32 32 ASN H H 32 9.812 9.295 0.517 1 1 355 . 20 1 1 A 32 32 ASN HA H 32 4.352 4.394 -0.042 1 1 358 . 20 1 1 A 32 32 ASN C C 32 175.252 176.764 -1.512 1 1 359 . 20 1 1 A 32 32 ASN CA C 32 55.476 55.973 -0.497 1 1 360 . 20 1 1 A 32 32 ASN CB C 32 38.524 38.247 0.277 1 1 361 . 20 1 1 A 32 32 ASN N N 32 118.460 120.699 -2.239 1 1 362 . 20 1 1 A 33 33 SER H H 33 7.782 7.787 -0.005 1 1 363 . 20 1 1 A 33 33 SER HA H 33 4.562 4.504 0.058 1 1 366 . 20 1 1 A 33 33 SER C C 33 173.822 173.325 0.497 1 1 367 . 20 1 1 A 33 33 SER CA C 33 57.390 58.175 -0.785 1 1 368 . 20 1 1 A 33 33 SER CB C 33 62.859 63.388 -0.529 1 1 369 . 20 1 1 A 33 33 SER N N 33 110.725 111.923 -1.198 1 1 370 . 20 1 1 A 34 34 LEU H H 34 8.342 7.952 0.390 1 1 371 . 20 1 1 A 34 34 LEU HA H 34 3.686 3.798 -0.112 1 1 381 . 20 1 1 A 34 34 LEU C C 34 175.516 175.019 0.497 1 1 382 . 20 1 1 A 34 34 LEU CA C 34 57.117 56.232 0.885 1 1 383 . 20 1 1 A 34 34 LEU CB C 34 37.430 39.761 -2.331 1 1 387 . 20 1 1 A 34 34 LEU N N 34 116.913 119.425 -2.512 1 1 388 . 20 1 1 A 35 35 GLU H H 35 7.538 7.761 -0.223 1 1 389 . 20 1 1 A 35 35 GLU HA H 35 4.546 4.854 -0.308 1 1 394 . 20 1 1 A 35 35 GLU C C 35 176.005 175.389 0.616 1 1 395 . 20 1 1 A 35 35 GLU CA C 35 54.929 54.540 0.389 1 1 396 . 20 1 1 A 35 35 GLU CB C 35 30.868 32.617 -1.749 1 1 398 . 20 1 1 A 35 35 GLU N N 35 117.429 115.298 2.131 1 1 399 . 20 1 1 A 36 36 GLU H H 36 8.681 8.528 0.153 1 1 400 . 20 1 1 A 36 36 GLU HA H 36 4.740 4.690 0.050 1 1 405 . 20 1 1 A 36 36 GLU C C 36 176.833 175.967 0.866 1 1 406 . 20 1 1 A 36 36 GLU CA C 36 56.923 57.217 -0.294 1 1 407 . 20 1 1 A 36 36 GLU CB C 36 30.868 30.387 0.481 1 1 409 . 20 1 1 A 36 36 GLU N N 36 121.296 122.069 -0.773 1 1 410 . 20 1 1 A 37 37 LYS H H 37 9.122 8.531 0.591 1 1 411 . 20 1 1 A 37 37 LYS HA H 37 4.639 4.947 -0.308 1 1 420 . 20 1 1 A 37 37 LYS C C 37 173.671 174.397 -0.726 1 1 421 . 20 1 1 A 37 37 LYS CA C 37 55.476 55.446 0.030 1 1 422 . 20 1 1 A 37 37 LYS CB C 37 35.243 36.573 -1.330 1 1 426 . 20 1 1 A 37 37 LYS N N 37 125.292 123.166 2.126 1 1 427 . 20 1 1 A 38 38 SER H H 38 9.337 8.432 0.905 1 1 428 . 20 1 1 A 38 38 SER HA H 38 5.310 4.997 0.313 1 1 431 . 20 1 1 A 38 38 SER C C 38 175.102 174.813 0.289 1 1 432 . 20 1 1 A 38 38 SER CA C 38 56.296 55.788 0.508 1 1 433 . 20 1 1 A 38 38 SER CB C 38 67.233 66.585 0.648 1 1 434 . 20 1 1 A 38 38 SER N N 38 121.811 118.848 2.963 1 1 435 . 20 1 1 A 39 39 LEU H H 39 7.023 8.092 -1.069 1 1 436 . 20 1 1 A 39 39 LEU HA H 39 3.872 3.643 0.229 1 1 446 . 20 1 1 A 39 39 LEU C C 39 179.845 178.263 1.582 1 1 447 . 20 1 1 A 39 39 LEU CA C 39 58.210 57.998 0.212 1 1 448 . 20 1 1 A 39 39 LEU CB C 39 40.711 40.919 -0.208 1 1 452 . 20 1 1 A 39 39 LEU N N 39 121.811 122.429 -0.618 1 1 453 . 20 1 1 A 40 40 ALA H H 40 8.447 7.337 1.110 1 1 454 . 20 1 1 A 40 40 ALA HA H 40 3.890 3.953 -0.063 1 1 458 . 20 1 1 A 40 40 ALA C C 40 179.995 179.947 0.048 1 1 459 . 20 1 1 A 40 40 ALA CA C 40 55.203 54.665 0.538 1 1 460 . 20 1 1 A 40 40 ALA CB C 40 18.291 18.349 -0.058 1 1 461 . 20 1 1 A 40 40 ALA N N 40 119.362 118.316 1.046 1 1 462 . 20 1 1 A 41 41 ASP H H 41 7.517 7.909 -0.392 1 1 463 . 20 1 1 A 41 41 ASP HA H 41 4.469 4.325 0.144 1 1 466 . 20 1 1 A 41 41 ASP C C 41 176.720 178.960 -2.240 1 1 467 . 20 1 1 A 41 41 ASP CA C 41 56.296 56.739 -0.443 1 1 468 . 20 1 1 A 41 41 ASP CB C 41 42.079 40.559 1.520 1 1 469 . 20 1 1 A 41 41 ASP N N 41 114.850 118.751 -3.901 1 1 470 . 20 1 1 A 42 42 MET H H 42 7.989 7.989 0.000 1 1 471 . 20 1 1 A 42 42 MET HA H 42 4.336 4.469 -0.133 1 1 479 . 20 1 1 A 42 42 MET C C 42 175.440 177.192 -1.752 1 1 480 . 20 1 1 A 42 42 MET CA C 42 56.843 58.251 -1.408 1 1 481 . 20 1 1 A 42 42 MET CB C 42 31.962 32.410 -0.448 1 1 484 . 20 1 1 A 42 42 MET N N 42 118.847 116.144 2.703 1 1 485 . 20 1 1 A 43 43 LYS H H 43 6.901 7.521 -0.620 1 1 486 . 20 1 1 A 43 43 LYS HA H 43 4.265 4.150 0.115 1 1 494 . 20 1 1 A 43 43 LYS C C 43 177.435 177.528 -0.093 1 1 495 . 20 1 1 A 43 43 LYS CA C 43 57.664 58.623 -0.959 1 1 496 . 20 1 1 A 43 43 LYS CB C 43 33.329 32.522 0.807 1 1 500 . 20 1 1 A 43 43 LYS N N 43 116.913 119.940 -3.027 1 1 501 . 20 1 1 A 44 44 GLY H H 44 9.268 9.088 0.180 1 1 502 . 20 1 1 A 44 44 GLY HA2 H 44 3.692 3.974 -0.282 1 1 503 . 20 1 1 A 44 44 GLY HA3 H 44 4.596 3.977 0.619 1 1 504 . 20 1 1 A 44 44 GLY C C 44 173.671 173.249 0.422 1 1 505 . 20 1 1 A 44 44 GLY CA C 44 44.813 45.379 -0.566 1 1 506 . 20 1 1 A 44 44 GLY N N 44 111.112 111.978 -0.866 1 1 507 . 20 1 1 A 45 45 LYS H H 45 7.516 7.744 -0.228 1 1 508 . 20 1 1 A 45 45 LYS HA H 45 4.754 4.832 -0.078 1 1 515 . 20 1 1 A 45 45 LYS C C 45 175.214 174.860 0.354 1 1 516 . 20 1 1 A 45 45 LYS CA C 45 54.820 54.936 -0.116 1 1 517 . 20 1 1 A 45 45 LYS CB C 45 36.883 36.075 0.808 1 1 521 . 20 1 1 A 45 45 LYS N N 45 117.944 120.232 -2.288 1 1 522 . 20 1 1 A 46 46 VAL H H 46 8.887 8.584 0.303 1 1 523 . 20 1 1 A 46 46 VAL HA H 46 3.950 4.166 -0.216 1 1 531 . 20 1 1 A 46 46 VAL C C 46 174.876 175.351 -0.475 1 1 532 . 20 1 1 A 46 46 VAL CA C 46 64.773 63.295 1.478 1 1 533 . 20 1 1 A 46 46 VAL CB C 46 31.962 32.239 -0.277 1 1 536 . 20 1 1 A 46 46 VAL N N 46 124.776 123.924 0.852 1 1 537 . 20 1 1 A 47 47 THR H H 47 8.956 8.777 0.179 1 1 538 . 20 1 1 A 47 47 THR HA H 47 5.300 5.318 -0.018 1 1 543 . 20 1 1 A 47 47 THR C C 47 172.579 173.605 -1.026 1 1 544 . 20 1 1 A 47 47 THR CA C 47 62.312 61.383 0.929 1 1 545 . 20 1 1 A 47 47 THR CB C 47 73.249 72.366 0.883 1 1 547 . 20 1 1 A 47 47 THR N N 47 124.132 121.905 2.227 1 1 548 . 20 1 1 A 48 48 ILE H H 48 9.160 9.098 0.062 1 1 549 . 20 1 1 A 48 48 ILE HA H 48 4.740 5.004 -0.264 1 1 559 . 20 1 1 A 48 48 ILE C C 48 173.972 175.208 -1.236 1 1 560 . 20 1 1 A 48 48 ILE CA C 48 61.441 60.017 1.424 1 1 561 . 20 1 1 A 48 48 ILE CB C 48 40.438 41.660 -1.222 1 1 565 . 20 1 1 A 48 48 ILE N N 48 128.515 125.068 3.447 1 1 566 . 20 1 1 A 49 49 ILE H H 49 9.507 9.393 0.114 1 1 567 . 20 1 1 A 49 49 ILE HA H 49 4.883 4.945 -0.062 1 1 577 . 20 1 1 A 49 49 ILE C C 49 174.650 175.491 -0.841 1 1 578 . 20 1 1 A 49 49 ILE CA C 49 60.773 60.851 -0.078 1 1 579 . 20 1 1 A 49 49 ILE CB C 49 41.532 40.189 1.343 1 1 583 . 20 1 1 A 49 49 ILE N N 49 126.194 127.353 -1.159 1 1 584 . 20 1 1 A 50 50 SER H H 50 9.079 9.185 -0.106 1 1 585 . 20 1 1 A 50 50 SER HA H 50 5.138 4.981 0.157 1 1 588 . 20 1 1 A 50 50 SER C C 50 172.692 174.098 -1.406 1 1 589 . 20 1 1 A 50 50 SER CA C 50 56.843 58.912 -2.069 1 1 590 . 20 1 1 A 50 50 SER CB C 50 64.773 63.983 0.790 1 1 591 . 20 1 1 A 50 50 SER N N 50 121.940 124.026 -2.086 1 1 592 . 20 1 1 A 51 51 VAL H H 51 9.010 8.735 0.275 1 1 593 . 20 1 1 A 51 51 VAL HA H 51 4.873 5.144 -0.271 1 1 601 . 20 1 1 A 51 51 VAL CA C 51 61.595 60.959 0.636 1 1 602 . 20 1 1 A 51 51 VAL CB C 51 32.509 35.329 -2.820 1 1 605 . 20 1 1 A 51 51 VAL N N 51 128.128 123.644 4.484 1 1 606 . 20 1 1 A 52 52 ILE H H 52 8.182 8.800 -0.618 1 1 607 . 20 1 1 A 52 52 ILE HA H 52 4.862 4.824 0.038 1 1 616 . 20 1 1 A 52 52 ILE CA C 52 58.026 57.580 0.446 1 1 617 . 20 1 1 A 52 52 ILE CB C 52 43.172 40.532 2.640 1 1 621 . 20 1 1 A 52 52 ILE N N 52 124.776 122.929 1.847 1 1 622 . 20 1 1 A 53 53 PRO HA H 53 4.904 4.442 0.462 1 1 629 . 20 1 1 A 53 53 PRO CA C 53 65.560 64.884 0.676 1 1 630 . 20 1 1 A 53 53 PRO CB C 53 31.826 32.207 -0.381 1 1 633 . 20 1 1 A 54 54 SER H H 54 7.214 7.248 -0.034 1 1 634 . 20 1 1 A 54 54 SER HA H 54 5.100 4.692 0.408 1 1 637 . 20 1 1 A 54 54 SER CA C 54 57.417 56.746 0.671 1 1 638 . 20 1 1 A 54 54 SER CB C 54 65.195 64.942 0.253 1 1 639 . 20 1 1 A 54 54 SER N N 54 107.901 111.297 -3.396 1 1 640 . 20 1 1 A 55 55 ILE H H 55 7.330 8.587 -1.257 1 1 641 . 20 1 1 A 55 55 ILE HA H 55 5.075 3.957 1.118 1 1 651 . 20 1 1 A 55 55 ILE CA C 55 61.734 63.909 -2.175 1 1 652 . 20 1 1 A 55 55 ILE CB C 55 36.233 38.091 -1.858 1 1 656 . 20 1 1 A 56 56 ASP H H 56 8.699 7.835 0.864 1 1 657 . 20 1 1 A 56 56 ASP HA H 56 5.075 4.502 0.573 1 1 660 . 20 1 1 A 56 56 ASP CA C 56 54.407 56.247 -1.840 1 1 661 . 20 1 1 A 56 56 ASP CB C 56 42.832 41.284 1.548 1 1 662 . 20 1 1 A 56 56 ASP N N 56 121.940 121.740 0.200 1 1 663 . 20 1 1 A 57 57 THR H H 57 7.294 7.804 -0.510 1 1 664 . 20 1 1 A 57 57 THR HA H 57 4.323 4.333 -0.010 1 1 669 . 20 1 1 A 57 57 THR C C 57 175.440 175.403 0.037 1 1 670 . 20 1 1 A 57 57 THR CA C 57 61.765 63.601 -1.836 1 1 671 . 20 1 1 A 57 57 THR CB C 57 69.421 70.345 -0.924 1 1 673 . 20 1 1 A 57 57 THR N N 57 108.921 110.177 -1.256 1 1 674 . 20 1 1 A 58 58 GLY H H 58 8.215 7.750 0.465 1 1 675 . 20 1 1 A 58 58 GLY HA2 H 58 4.012 4.005 0.007 1 1 676 . 20 1 1 A 58 58 GLY HA3 H 58 4.012 4.007 0.005 1 1 677 . 20 1 1 A 58 58 GLY C C 58 173.520 175.156 -1.636 1 1 678 . 20 1 1 A 58 58 GLY CA C 58 45.360 45.353 0.007 1 1 679 . 20 1 1 A 58 58 GLY N N 58 110.969 110.085 0.884 1 1 680 . 20 1 1 A 59 59 VAL H H 59 7.976 8.279 -0.303 1 1 681 . 20 1 1 A 59 59 VAL HA H 59 4.307 3.933 0.374 1 1 689 . 20 1 1 A 59 59 VAL C C 59 175.854 177.987 -2.133 1 1 690 . 20 1 1 A 59 59 VAL CA C 59 61.765 64.743 -2.978 1 1 691 . 20 1 1 A 59 59 VAL CB C 59 33.329 31.269 2.060 1 1 694 . 20 1 1 A 59 59 VAL N N 59 118.501 118.924 -0.423 1 1 696 . 20 1 1 A 61 61 ASP HA H 61 4.323 4.504 -0.181 1 1 697 . 20 1 1 A 61 61 ASP CA C 61 54.382 56.241 -1.859 1 1 698 . 20 1 1 A 61 61 ASP CB C 61 39.142 41.111 -1.969 1 1 699 . 20 1 1 A 62 62 ALA H H 62 8.663 7.403 1.260 1 1 700 . 20 1 1 A 62 62 ALA HA H 62 3.971 4.306 -0.335 1 1 704 . 20 1 1 A 62 62 ALA C C 62 180.485 178.523 1.962 1 1 705 . 20 1 1 A 62 62 ALA CA C 62 55.203 51.767 3.436 1 1 706 . 20 1 1 A 62 62 ALA CB C 62 18.838 20.082 -1.244 1 1 707 . 20 1 1 A 63 63 GLN H H 63 8.550 8.704 -0.154 1 1 708 . 20 1 1 A 63 63 GLN HA H 63 3.865 3.703 0.162 1 1 715 . 20 1 1 A 63 63 GLN C C 63 178.527 177.990 0.537 1 1 716 . 20 1 1 A 63 63 GLN CA C 63 59.346 57.861 1.485 1 1 717 . 20 1 1 A 63 63 GLN CB C 63 28.635 27.572 1.063 1 1 719 . 20 1 1 A 63 63 GLN N N 63 117.429 116.433 0.996 1 1 721 . 20 1 1 A 64 64 THR H H 64 8.121 7.888 0.233 1 1 722 . 20 1 1 A 64 64 THR HA H 64 3.624 3.837 -0.213 1 1 727 . 20 1 1 A 64 64 THR C C 64 178.527 176.227 2.300 1 1 728 . 20 1 1 A 64 64 THR CA C 64 66.686 67.199 -0.513 1 1 729 . 20 1 1 A 64 64 THR CB C 64 68.600 68.733 -0.133 1 1 731 . 20 1 1 A 64 64 THR N N 64 118.460 116.498 1.962 1 1 732 . 20 1 1 A 65 65 ARG H H 65 7.530 7.925 -0.395 1 1 733 . 20 1 1 A 65 65 ARG HA H 65 3.904 3.935 -0.031 1 1 739 . 20 1 1 A 65 65 ARG CA C 65 59.507 59.186 0.321 1 1 740 . 20 1 1 A 65 65 ARG CB C 65 29.637 29.518 0.119 1 1 743 . 20 1 1 A 66 66 ARG H H 66 7.972 7.717 0.255 1 1 744 . 20 1 1 A 66 66 ARG HA H 66 4.056 4.189 -0.133 1 1 751 . 20 1 1 A 66 66 ARG C C 66 177.624 178.728 -1.104 1 1 752 . 20 1 1 A 66 66 ARG CA C 66 59.031 58.123 0.908 1 1 753 . 20 1 1 A 66 66 ARG CB C 66 29.228 30.378 -1.150 1 1 756 . 20 1 1 A 66 66 ARG N N 66 118.460 119.203 -0.743 1 1 757 . 20 1 1 A 67 67 PHE H H 67 7.673 8.187 -0.514 1 1 758 . 20 1 1 A 67 67 PHE HA H 67 4.260 4.276 -0.016 1 1 763 . 20 1 1 A 67 67 PHE C C 67 176.043 177.315 -1.272 1 1 764 . 20 1 1 A 67 67 PHE CA C 67 60.945 61.111 -0.166 1 1 765 . 20 1 1 A 67 67 PHE CB C 67 39.071 39.017 0.054 1 1 766 . 20 1 1 A 67 67 PHE N N 67 119.362 120.722 -1.360 1 1 767 . 20 1 1 A 68 68 ASN H H 68 7.688 8.301 -0.613 1 1 768 . 20 1 1 A 68 68 ASN HA H 68 4.150 4.041 0.109 1 1 771 . 20 1 1 A 68 68 ASN C C 68 177.172 177.701 -0.529 1 1 772 . 20 1 1 A 68 68 ASN CA C 68 55.750 55.984 -0.234 1 1 773 . 20 1 1 A 68 68 ASN CB C 68 37.977 37.813 0.164 1 1 774 . 20 1 1 A 68 68 ASN N N 68 117.042 117.350 -0.308 1 1 775 . 20 1 1 A 69 69 GLU H H 69 8.185 8.340 -0.155 1 1 776 . 20 1 1 A 69 69 GLU HA H 69 3.848 3.997 -0.149 1 1 781 . 20 1 1 A 69 69 GLU C C 69 179.468 178.853 0.615 1 1 782 . 20 1 1 A 69 69 GLU CA C 69 59.577 59.626 -0.049 1 1 783 . 20 1 1 A 69 69 GLU CB C 69 30.321 29.016 1.305 1 1 785 . 20 1 1 A 69 69 GLU N N 69 118.975 119.498 -0.523 1 1 786 . 20 1 1 A 70 70 GLU H H 70 8.671 8.626 0.045 1 1 787 . 20 1 1 A 70 70 GLU HA H 70 3.807 4.026 -0.219 1 1 792 . 20 1 1 A 70 70 GLU C C 70 179.468 178.045 1.423 1 1 793 . 20 1 1 A 70 70 GLU CA C 70 58.757 59.527 -0.770 1 1 794 . 20 1 1 A 70 70 GLU CB C 70 29.501 29.267 0.234 1 1 796 . 20 1 1 A 70 70 GLU N N 70 118.975 119.671 -0.696 1 1 797 . 20 1 1 A 71 71 ALA H H 71 8.418 8.076 0.342 1 1 798 . 20 1 1 A 71 71 ALA HA H 71 3.616 3.931 -0.315 1 1 802 . 20 1 1 A 71 71 ALA C C 71 178.226 179.996 -1.770 1 1 803 . 20 1 1 A 71 71 ALA CA C 71 54.656 55.084 -0.428 1 1 804 . 20 1 1 A 71 71 ALA CB C 71 18.017 17.894 0.123 1 1 805 . 20 1 1 A 71 71 ALA N N 71 122.069 121.308 0.761 1 1 806 . 20 1 1 A 72 72 ALA H H 72 7.520 7.694 -0.174 1 1 807 . 20 1 1 A 72 72 ALA HA H 72 3.842 3.977 -0.135 1 1 811 . 20 1 1 A 72 72 ALA C C 72 179.280 178.525 0.755 1 1 812 . 20 1 1 A 72 72 ALA CA C 72 54.109 54.778 -0.669 1 1 813 . 20 1 1 A 72 72 ALA CB C 72 18.564 18.150 0.414 1 1 814 . 20 1 1 A 72 72 ALA N N 72 116.139 119.488 -3.349 1 1 815 . 20 1 1 A 73 73 LYS H H 73 7.302 7.383 -0.081 1 1 816 . 20 1 1 A 73 73 LYS HA H 73 4.129 4.170 -0.041 1 1 825 . 20 1 1 A 73 73 LYS C C 73 177.661 179.178 -1.517 1 1 826 . 20 1 1 A 73 73 LYS CA C 73 57.116 57.719 -0.603 1 1 827 . 20 1 1 A 73 73 LYS CB C 73 32.782 32.480 0.302 1 1 831 . 20 1 1 A 73 73 LYS N N 73 114.850 116.889 -2.039 1 1 832 . 20 1 1 A 74 74 LEU H H 74 7.398 7.385 0.013 1 1 833 . 20 1 1 A 74 74 LEU HA H 74 3.983 4.029 -0.046 1 1 843 . 20 1 1 A 74 74 LEU C C 74 177.021 176.831 0.190 1 1 844 . 20 1 1 A 74 74 LEU CA C 74 56.843 56.930 -0.087 1 1 845 . 20 1 1 A 74 74 LEU CB C 74 42.625 42.828 -0.203 1 1 849 . 20 1 1 A 74 74 LEU N N 74 118.460 119.323 -0.863 1 1 850 . 20 1 1 A 75 75 GLY H H 75 7.174 7.243 -0.069 1 1 851 . 20 1 1 A 75 75 GLY HA2 H 75 4.215 4.066 0.149 1 1 852 . 20 1 1 A 75 75 GLY HA3 H 75 3.630 4.067 -0.437 1 1 853 . 20 1 1 A 75 75 GLY C C 75 172.805 173.595 -0.790 1 1 854 . 20 1 1 A 75 75 GLY CA C 75 45.360 45.648 -0.288 1 1 855 . 20 1 1 A 75 75 GLY N N 75 102.991 104.352 -1.361 1 1 856 . 20 1 1 A 76 76 ASP H H 76 8.825 8.603 0.222 1 1 857 . 20 1 1 A 76 76 ASP HA H 76 4.766 4.709 0.057 1 1 860 . 20 1 1 A 76 76 ASP C C 76 173.749 175.492 -1.743 1 1 861 . 20 1 1 A 76 76 ASP CA C 76 53.708 53.906 -0.198 1 1 862 . 20 1 1 A 76 76 ASP CB C 76 39.071 40.512 -1.441 1 1 863 . 20 1 1 A 76 76 ASP N N 76 126.839 120.644 6.195 1 1 864 . 20 1 1 A 77 77 VAL H H 77 7.511 7.419 0.092 1 1 865 . 20 1 1 A 77 77 VAL HA H 77 4.772 4.054 0.718 1 1 873 . 20 1 1 A 77 77 VAL C C 77 175.629 175.715 -0.086 1 1 874 . 20 1 1 A 77 77 VAL CA C 77 58.959 61.991 -3.032 1 1 875 . 20 1 1 A 77 77 VAL CB C 77 34.970 32.601 2.369 1 1 878 . 20 1 1 A 77 77 VAL N N 77 115.615 117.713 -2.098 1 1 879 . 20 1 1 A 78 78 ASN H H 78 8.822 8.600 0.222 1 1 880 . 20 1 1 A 78 78 ASN HA H 78 4.820 4.630 0.190 1 1 885 . 20 1 1 A 78 78 ASN C C 78 174.047 175.165 -1.118 1 1 886 . 20 1 1 A 78 78 ASN CA C 78 52.085 53.685 -1.600 1 1 887 . 20 1 1 A 78 78 ASN CB C 78 40.438 38.580 1.858 1 1 888 . 20 1 1 A 78 78 ASN N N 78 120.393 122.401 -2.008 1 1 890 . 20 1 1 A 79 79 VAL H H 79 8.044 8.224 -0.180 1 1 891 . 20 1 1 A 79 79 VAL HA H 79 4.669 4.844 -0.175 1 1 899 . 20 1 1 A 79 79 VAL C C 79 174.123 174.124 -0.001 1 1 900 . 20 1 1 A 79 79 VAL CA C 79 61.491 60.765 0.726 1 1 901 . 20 1 1 A 79 79 VAL CB C 79 33.329 34.357 -1.028 1 1 904 . 20 1 1 A 79 79 VAL N N 79 122.456 122.736 -0.280 1 1 905 . 20 1 1 A 80 80 TYR H H 80 8.944 9.071 -0.127 1 1 906 . 20 1 1 A 80 80 TYR HA H 80 6.170 5.316 0.854 1 1 911 . 20 1 1 A 80 80 TYR C C 80 177.210 175.303 1.907 1 1 912 . 20 1 1 A 80 80 TYR CA C 80 54.929 55.941 -1.012 1 1 913 . 20 1 1 A 80 80 TYR CB C 80 42.899 43.165 -0.266 1 1 914 . 20 1 1 A 80 80 TYR N N 80 123.229 125.253 -2.024 1 1 915 . 20 1 1 A 81 81 THR H H 81 8.465 8.921 -0.456 1 1 916 . 20 1 1 A 81 81 THR HA H 81 5.652 5.158 0.494 1 1 921 . 20 1 1 A 81 81 THR C C 81 172.880 173.339 -0.459 1 1 922 . 20 1 1 A 81 81 THR CA C 81 62.038 61.503 0.535 1 1 923 . 20 1 1 A 81 81 THR CB C 81 71.608 70.699 0.909 1 1 925 . 20 1 1 A 81 81 THR N N 81 119.491 116.196 3.295 1 1 926 . 20 1 1 A 82 82 ILE H H 82 8.958 9.219 -0.261 1 1 927 . 20 1 1 A 82 82 ILE HA H 82 5.145 4.365 0.780 1 1 937 . 20 1 1 A 82 82 ILE C C 82 174.123 175.094 -0.971 1 1 938 . 20 1 1 A 82 82 ILE CA C 82 59.847 60.922 -1.075 1 1 939 . 20 1 1 A 82 82 ILE CB C 82 39.618 37.853 1.765 1 1 943 . 20 1 1 A 82 82 ILE N N 82 125.550 128.643 -3.093 1 1 944 . 20 1 1 A 83 83 SER H H 83 7.731 8.940 -1.209 1 1 945 . 20 1 1 A 83 83 SER HA H 83 4.909 5.364 -0.455 1 1 948 . 20 1 1 A 83 83 SER C C 83 173.182 173.916 -0.734 1 1 949 . 20 1 1 A 83 83 SER CA C 83 57.034 57.835 -0.801 1 1 950 . 20 1 1 A 83 83 SER CB C 83 68.054 67.268 0.786 1 1 951 . 20 1 1 A 83 83 SER N N 83 117.171 120.947 -3.776 1 1 952 . 20 1 1 A 84 84 ALA H H 84 9.548 8.248 1.300 1 1 953 . 20 1 1 A 84 84 ALA HA H 84 4.177 4.594 -0.417 1 1 957 . 20 1 1 A 84 84 ALA C C 84 175.290 177.433 -2.143 1 1 958 . 20 1 1 A 84 84 ALA CA C 84 51.922 51.600 0.322 1 1 959 . 20 1 1 A 84 84 ALA CB C 84 19.111 18.361 0.750 1 1 960 . 20 1 1 A 84 84 ALA N N 84 120.651 125.552 -4.901 1 1 961 . 20 1 1 A 85 85 ASP H H 85 7.739 8.214 -0.475 1 1 962 . 20 1 1 A 85 85 ASP HA H 85 4.380 4.232 0.148 1 1 965 . 20 1 1 A 85 85 ASP C C 85 175.591 175.784 -0.193 1 1 966 . 20 1 1 A 85 85 ASP CA C 85 55.136 55.565 -0.429 1 1 967 . 20 1 1 A 85 85 ASP CB C 85 43.011 40.515 2.496 1 1 968 . 20 1 1 A 85 85 ASP N N 85 114.721 116.390 -1.669 1 1 969 . 20 1 1 A 86 86 LEU H H 86 8.475 7.913 0.562 1 1 970 . 20 1 1 A 86 86 LEU HA H 86 3.956 4.267 -0.311 1 1 980 . 20 1 1 A 86 86 LEU CA C 86 54.656 53.292 1.364 1 1 981 . 20 1 1 A 86 86 LEU CB C 86 39.380 43.292 -3.912 1 1 985 . 20 1 1 A 87 87 PRO HA H 87 4.225 4.171 0.054 1 1 992 . 20 1 1 A 87 87 PRO CA C 87 65.046 65.392 -0.346 1 1 993 . 20 1 1 A 87 87 PRO CB C 87 32.264 31.616 0.648 1 1 996 . 20 1 1 A 88 88 PHE H H 88 5.565 7.253 -1.688 1 1 997 . 20 1 1 A 88 88 PHE HA H 88 4.340 4.250 0.090 1 1 1000 . 20 1 1 A 88 88 PHE CA C 88 57.664 61.552 -3.888 1 1 1001 . 20 1 1 A 88 88 PHE CB C 88 39.344 38.472 0.872 1 1 1002 . 20 1 1 A 88 88 PHE N N 88 110.725 116.765 -6.040 1 1 1003 . 20 1 1 A 89 89 ALA H H 89 7.381 8.156 -0.775 1 1 1004 . 20 1 1 A 89 89 ALA HA H 89 4.239 4.255 -0.016 1 1 1008 . 20 1 1 A 89 89 ALA CA C 89 52.009 54.603 -2.594 1 1 1009 . 20 1 1 A 89 89 ALA CB C 89 19.761 18.220 1.541 1 1 1010 . 20 1 1 A 89 89 ALA N N 89 114.850 121.709 -6.859 1 1 1011 . 20 1 1 A 90 90 GLN H H 90 7.231 7.720 -0.489 1 1 1012 . 20 1 1 A 90 90 GLN HA H 90 3.695 4.542 -0.847 1 1 1018 . 20 1 1 A 90 90 GLN CA C 90 59.578 55.582 3.996 1 1 1019 . 20 1 1 A 90 90 GLN CB C 90 28.728 29.574 -0.846 1 1 1022 . 20 1 1 A 91 91 ALA H H 91 7.741 7.232 0.509 1 1 1023 . 20 1 1 A 91 91 ALA HA H 91 4.202 3.971 0.231 1 1 1027 . 20 1 1 A 91 91 ALA CA C 91 54.382 51.686 2.696 1 1 1028 . 20 1 1 A 91 91 ALA CB C 91 18.837 18.292 0.545 1 1 1029 . 20 1 1 A 91 91 ALA N N 91 118.589 121.189 -2.600 1 1 1030 . 20 1 1 A 92 92 ARG H H 92 7.354 7.735 -0.381 1 1 1031 . 20 1 1 A 92 92 ARG HA H 92 4.588 3.983 0.605 1 1 1038 . 20 1 1 A 92 92 ARG CA C 92 55.476 56.980 -1.504 1 1 1039 . 20 1 1 A 92 92 ARG CB C 92 30.048 26.796 3.252 1 1 1042 . 20 1 1 A 93 93 TRP H H 93 7.767 7.832 -0.065 1 1 1043 . 20 1 1 A 93 93 TRP HA H 93 4.881 4.473 0.408 1 1 1050 . 20 1 1 A 93 93 TRP CA C 93 57.534 59.328 -1.794 1 1 1051 . 20 1 1 A 93 93 TRP CB C 93 29.501 28.973 0.528 1 1 1052 . 20 1 1 A 93 93 TRP N N 93 121.927 118.484 3.443 1 1 1054 . 20 1 1 A 94 94 CYS HA H 94 3.901 4.883 -0.982 1 1 1057 . 20 1 1 A 94 94 CYS CA C 94 59.577 55.306 4.271 1 1 1058 . 20 1 1 A 94 94 CYS CB C 94 43.446 45.537 -2.091 1 1 1059 . 20 1 1 A 95 95 GLY HA2 H 95 5.122 3.986 1.136 1 1 1060 . 20 1 1 A 95 95 GLY HA3 H 95 3.691 4.004 -0.313 1 1 1061 . 20 1 1 A 95 95 GLY CA C 95 45.511 45.850 -0.339 1 1 1062 . 20 1 1 A 96 96 ALA H H 96 7.504 7.780 -0.276 1 1 1063 . 20 1 1 A 96 96 ALA HA H 96 4.412 4.505 -0.093 1 1 1067 . 20 1 1 A 96 96 ALA CA C 96 51.699 51.095 0.604 1 1 1068 . 20 1 1 A 96 96 ALA CB C 96 21.025 19.897 1.128 1 1 1069 . 20 1 1 A 96 96 ALA N N 96 121.579 122.099 -0.520 1 1 1070 . 20 1 1 A 97 97 ASN H H 97 7.345 8.016 -0.671 1 1 1071 . 20 1 1 A 97 97 ASN HA H 97 4.551 5.212 -0.661 1 1 1076 . 20 1 1 A 97 97 ASN CA C 97 54.929 51.619 3.310 1 1 1077 . 20 1 1 A 97 97 ASN CB C 97 39.071 42.180 -3.109 1 1 1079 . 20 1 1 A 98 98 GLY H H 98 8.890 8.620 0.270 1 1 1080 . 20 1 1 A 98 98 GLY HA2 H 98 3.796 3.936 -0.140 1 1 1081 . 20 1 1 A 98 98 GLY HA3 H 98 4.070 3.936 0.134 1 1 1082 . 20 1 1 A 98 98 GLY C C 98 174.160 173.476 0.684 1 1 1083 . 20 1 1 A 98 98 GLY CA C 98 45.841 45.284 0.557 1 1 1084 . 20 1 1 A 99 99 ILE H H 99 7.739 7.496 0.243 1 1 1085 . 20 1 1 A 99 99 ILE HA H 99 4.198 4.511 -0.313 1 1 1095 . 20 1 1 A 99 99 ILE C C 99 175.561 175.488 0.073 1 1 1096 . 20 1 1 A 99 99 ILE CA C 99 60.671 59.260 1.411 1 1 1097 . 20 1 1 A 99 99 ILE CB C 99 38.524 38.335 0.189 1 1 1101 . 20 1 1 A 99 99 ILE N N 99 120.780 115.026 5.754 1 1 1102 . 20 1 1 A 100 100 ASP H H 100 8.372 8.638 -0.266 1 1 1103 . 20 1 1 A 100 100 ASP HA H 100 4.426 4.230 0.196 1 1 1106 . 20 1 1 A 100 100 ASP C C 100 176.325 177.761 -1.436 1 1 1107 . 20 1 1 A 100 100 ASP CA C 100 56.023 56.622 -0.599 1 1 1108 . 20 1 1 A 100 100 ASP CB C 100 40.985 40.892 0.093 1 1 1109 . 20 1 1 A 100 100 ASP N N 100 126.194 125.731 0.463 1 1 1110 . 20 1 1 A 101 101 LYS H H 101 8.081 7.856 0.225 1 1 1111 . 20 1 1 A 101 101 LYS HA H 101 4.052 4.186 -0.134 1 1 1120 . 20 1 1 A 101 101 LYS C C 101 175.874 177.560 -1.686 1 1 1121 . 20 1 1 A 101 101 LYS CA C 101 58.210 58.243 -0.033 1 1 1122 . 20 1 1 A 101 101 LYS CB C 101 31.689 32.270 -0.581 1 1 1126 . 20 1 1 A 101 101 LYS N N 101 115.366 116.962 -1.596 1 1 1127 . 20 1 1 A 102 102 VAL H H 102 7.631 7.499 0.132 1 1 1128 . 20 1 1 A 102 102 VAL HA H 102 4.419 3.997 0.422 1 1 1136 . 20 1 1 A 102 102 VAL C C 102 175.145 175.305 -0.160 1 1 1137 . 20 1 1 A 102 102 VAL CA C 102 61.919 63.202 -1.283 1 1 1138 . 20 1 1 A 102 102 VAL CB C 102 32.782 31.936 0.846 1 1 1141 . 20 1 1 A 102 102 VAL N N 102 119.362 120.235 -0.873 1 1 1142 . 20 1 1 A 103 103 GLU H H 103 8.489 8.652 -0.163 1 1 1143 . 20 1 1 A 103 103 GLU HA H 103 4.931 5.142 -0.211 1 1 1148 . 20 1 1 A 103 103 GLU C C 103 175.943 175.171 0.772 1 1 1149 . 20 1 1 A 103 103 GLU CA C 103 55.140 54.677 0.463 1 1 1150 . 20 1 1 A 103 103 GLU CB C 103 33.329 33.601 -0.272 1 1 1152 . 20 1 1 A 103 103 GLU N N 103 126.581 126.797 -0.216 1 1 1153 . 20 1 1 A 104 104 THR H H 104 8.690 8.909 -0.219 1 1 1154 . 20 1 1 A 104 104 THR HA H 104 5.292 5.408 -0.116 1 1 1159 . 20 1 1 A 104 104 THR C C 104 173.165 173.805 -0.640 1 1 1160 . 20 1 1 A 104 104 THR CA C 104 58.757 60.308 -1.551 1 1 1161 . 20 1 1 A 104 104 THR CB C 104 69.967 70.481 -0.514 1 1 1163 . 20 1 1 A 104 104 THR N N 104 114.979 115.310 -0.331 1 1 1164 . 20 1 1 A 105 105 LEU H H 105 8.635 9.098 -0.463 1 1 1165 . 20 1 1 A 105 105 LEU HA H 105 4.979 5.245 -0.266 1 1 1175 . 20 1 1 A 105 105 LEU C C 105 176.985 175.824 1.161 1 1 1176 . 20 1 1 A 105 105 LEU CA C 105 52.849 53.730 -0.881 1 1 1177 . 20 1 1 A 105 105 LEU CB C 105 45.633 45.682 -0.049 1 1 1181 . 20 1 1 A 105 105 LEU N N 105 119.233 126.137 -6.904 1 1 1182 . 20 1 1 A 106 106 SER H H 106 9.670 8.944 0.726 1 1 1183 . 20 1 1 A 106 106 SER HA H 106 5.485 5.297 0.188 1 1 1186 . 20 1 1 A 106 106 SER C C 106 176.256 173.633 2.623 1 1 1187 . 20 1 1 A 106 106 SER CA C 106 56.570 57.438 -0.868 1 1 1188 . 20 1 1 A 106 106 SER CB C 106 65.593 64.984 0.609 1 1 1189 . 20 1 1 A 106 106 SER N N 106 114.979 117.967 -2.988 1 1 1190 . 20 1 1 A 107 107 ASP H H 107 8.764 8.646 0.118 1 1 1191 . 20 1 1 A 107 107 ASP HA H 107 5.517 4.834 0.683 1 1 1194 . 20 1 1 A 107 107 ASP CA C 107 52.753 55.267 -2.514 1 1 1195 . 20 1 1 A 107 107 ASP CB C 107 45.086 43.290 1.796 1 1 1196 . 20 1 1 A 107 107 ASP N N 107 132.898 125.104 7.794 1 1 1197 . 20 1 1 A 108 108 HIS H H 108 7.940 8.137 -0.197 1 1 1198 . 20 1 1 A 108 108 HIS HA H 108 4.075 3.998 0.077 1 1 1200 . 20 1 1 A 108 108 HIS CA C 108 59.577 59.210 0.367 1 1 1201 . 20 1 1 A 108 108 HIS CB C 108 29.861 29.979 -0.118 1 1 1202 . 20 1 1 A 108 108 HIS N N 108 116.397 119.320 -2.923 1 1 1203 . 20 1 1 A 109 109 ARG HA H 109 4.214 3.856 0.358 1 1 1206 . 20 1 1 A 109 109 ARG CA C 109 59.031 59.091 -0.060 1 1 1207 . 20 1 1 A 109 109 ARG CB C 109 27.861 29.894 -2.033 1 1 1208 . 20 1 1 A 110 110 ASP HA H 110 4.867 4.884 -0.017 1 1 1211 . 20 1 1 A 110 110 ASP C C 110 175.735 176.092 -0.357 1 1 1212 . 20 1 1 A 110 110 ASP CA C 110 53.708 53.074 0.634 1 1 1213 . 20 1 1 A 110 110 ASP CB C 110 43.875 42.267 1.608 1 1 1214 . 20 1 1 A 111 111 MET H H 111 7.899 8.704 -0.805 1 1 1215 . 20 1 1 A 111 111 MET HA H 111 4.503 4.381 0.122 1 1 1221 . 20 1 1 A 111 111 MET C C 111 177.332 175.766 1.566 1 1 1222 . 20 1 1 A 111 111 MET CA C 111 56.570 57.116 -0.546 1 1 1223 . 20 1 1 A 111 111 MET CB C 111 30.868 30.799 0.069 1 1 1226 . 20 1 1 A 111 111 MET N N 111 116.397 117.218 -0.821 1 1 1227 . 20 1 1 A 112 112 SER H H 112 7.931 8.080 -0.149 1 1 1228 . 20 1 1 A 112 112 SER HA H 112 4.248 4.177 0.071 1 1 1231 . 20 1 1 A 112 112 SER C C 112 179.173 176.119 3.054 1 1 1232 . 20 1 1 A 112 112 SER CA C 112 60.945 62.285 -1.340 1 1 1233 . 20 1 1 A 112 112 SER CB C 112 64.499 62.926 1.573 1 1 1234 . 20 1 1 A 112 112 SER N N 112 113.561 114.595 -1.034 1 1 1235 . 20 1 1 A 113 113 PHE H H 113 10.125 8.502 1.623 1 1 1236 . 20 1 1 A 113 113 PHE HA H 113 3.593 4.015 -0.422 1 1 1241 . 20 1 1 A 113 113 PHE C C 113 177.437 177.834 -0.397 1 1 1242 . 20 1 1 A 113 113 PHE CA C 113 62.312 61.304 1.008 1 1 1243 . 20 1 1 A 113 113 PHE CB C 113 37.704 38.462 -0.758 1 1 1244 . 20 1 1 A 113 113 PHE N N 113 125.550 122.350 3.200 1 1 1245 . 20 1 1 A 114 114 GLY H H 114 10.707 8.818 1.889 1 1 1246 . 20 1 1 A 114 114 GLY HA2 H 114 3.396 3.612 -0.216 1 1 1247 . 20 1 1 A 114 114 GLY HA3 H 114 3.218 3.680 -0.462 1 1 1248 . 20 1 1 A 114 114 GLY C C 114 175.735 175.580 0.155 1 1 1249 . 20 1 1 A 114 114 GLY CA C 114 48.641 47.313 1.328 1 1 1250 . 20 1 1 A 114 114 GLY N N 114 109.178 104.418 4.760 1 1 1251 . 20 1 1 A 115 115 GLU H H 115 8.251 8.399 -0.148 1 1 1252 . 20 1 1 A 115 115 GLU HA H 115 4.431 4.255 0.176 1 1 1257 . 20 1 1 A 115 115 GLU C C 115 178.756 178.462 0.294 1 1 1258 . 20 1 1 A 115 115 GLU CA C 115 59.031 58.954 0.077 1 1 1259 . 20 1 1 A 115 115 GLU CB C 115 29.775 29.311 0.464 1 1 1261 . 20 1 1 A 115 115 GLU N N 115 120.522 121.434 -0.912 1 1 1262 . 20 1 1 A 116 116 ALA H H 116 7.895 8.250 -0.355 1 1 1263 . 20 1 1 A 116 116 ALA HA H 116 4.111 4.148 -0.037 1 1 1267 . 20 1 1 A 116 116 ALA C C 116 177.610 179.371 -1.761 1 1 1268 . 20 1 1 A 116 116 ALA CA C 116 55.476 55.061 0.415 1 1 1269 . 20 1 1 A 116 116 ALA CB C 116 18.838 18.383 0.455 1 1 1270 . 20 1 1 A 116 116 ALA N N 116 123.100 122.050 1.050 1 1 1271 . 20 1 1 A 117 117 PHE H H 117 8.161 7.821 0.340 1 1 1272 . 20 1 1 A 117 117 PHE HA H 117 4.262 4.354 -0.092 1 1 1277 . 20 1 1 A 117 117 PHE C C 117 175.353 175.662 -0.309 1 1 1278 . 20 1 1 A 117 117 PHE CA C 117 56.843 57.526 -0.683 1 1 1279 . 20 1 1 A 117 117 PHE CB C 117 38.251 38.337 -0.086 1 1 1280 . 20 1 1 A 117 117 PHE N N 117 113.432 112.783 0.649 1 1 1281 . 20 1 1 A 118 118 GLY H H 118 7.685 7.773 -0.088 1 1 1282 . 20 1 1 A 118 118 GLY HA2 H 118 3.544 3.941 -0.397 1 1 1283 . 20 1 1 A 118 118 GLY HA3 H 118 4.362 3.943 0.419 1 1 1284 . 20 1 1 A 118 118 GLY C C 118 174.901 175.305 -0.404 1 1 1285 . 20 1 1 A 118 118 GLY CA C 118 47.274 45.631 1.643 1 1 1286 . 20 1 1 A 118 118 GLY N N 118 112.143 107.525 4.618 1 1 1287 . 20 1 1 A 119 119 VAL H H 119 8.380 8.125 0.255 1 1 1288 . 20 1 1 A 119 119 VAL HA H 119 4.788 4.195 0.593 1 1 1296 . 20 1 1 A 119 119 VAL C C 119 174.901 176.058 -1.157 1 1 1297 . 20 1 1 A 119 119 VAL CA C 119 59.532 64.587 -5.055 1 1 1298 . 20 1 1 A 119 119 VAL CB C 119 32.509 31.723 0.786 1 1 1301 . 20 1 1 A 119 119 VAL N N 119 102.475 119.658 -17.183 1 1 1302 . 20 1 1 A 120 120 TYR H H 120 6.841 7.768 -0.927 1 1 1303 . 20 1 1 A 120 120 TYR HA H 120 4.484 4.445 0.039 1 1 1308 . 20 1 1 A 120 120 TYR C C 120 173.443 175.375 -1.932 1 1 1309 . 20 1 1 A 120 120 TYR CA C 120 54.929 58.642 -3.713 1 1 1310 . 20 1 1 A 120 120 TYR CB C 120 37.704 38.733 -1.029 1 1 1311 . 20 1 1 A 120 120 TYR N N 120 124.518 124.679 -0.161 1 1 1312 . 20 1 1 A 121 121 ILE H H 121 9.244 9.237 0.007 1 1 1313 . 20 1 1 A 121 121 ILE HA H 121 4.419 4.201 0.218 1 1 1323 . 20 1 1 A 121 121 ILE C C 121 176.221 176.166 0.055 1 1 1324 . 20 1 1 A 121 121 ILE CA C 121 62.014 61.809 0.205 1 1 1325 . 20 1 1 A 121 121 ILE CB C 121 37.704 37.992 -0.288 1 1 1329 . 20 1 1 A 121 121 ILE N N 121 128.772 128.826 -0.054 1 1 1330 . 20 1 1 A 122 122 LYS H H 122 9.328 8.974 0.354 1 1 1331 . 20 1 1 A 122 122 LYS HA H 122 3.588 3.711 -0.123 1 1 1340 . 20 1 1 A 122 122 LYS C C 122 179.069 178.354 0.715 1 1 1341 . 20 1 1 A 122 122 LYS CA C 122 60.124 60.125 -0.001 1 1 1342 . 20 1 1 A 122 122 LYS CB C 122 33.329 32.305 1.024 1 1 1346 . 20 1 1 A 122 122 LYS N N 122 134.955 125.314 9.641 1 1 1347 . 20 1 1 A 123 123 GLU H H 123 10.228 8.105 2.123 1 1 1348 . 20 1 1 A 123 123 GLU HA H 123 3.919 4.119 -0.200 1 1 1353 . 20 1 1 A 123 123 GLU C C 123 176.638 179.427 -2.789 1 1 1354 . 20 1 1 A 123 123 GLU CA C 123 61.218 58.603 2.615 1 1 1355 . 20 1 1 A 123 123 GLU CB C 123 29.228 30.110 -0.882 1 1 1357 . 20 1 1 A 123 123 GLU N N 123 115.624 118.810 -3.186 1 1 1358 . 20 1 1 A 124 124 LEU H H 124 6.480 7.829 -1.349 1 1 1359 . 20 1 1 A 124 124 LEU HA H 124 4.464 4.146 0.318 1 1 1369 . 20 1 1 A 124 124 LEU C C 124 175.403 176.423 -1.020 1 1 1370 . 20 1 1 A 124 124 LEU CA C 124 53.562 56.598 -3.036 1 1 1371 . 20 1 1 A 124 124 LEU CB C 124 44.813 42.418 2.395 1 1 1375 . 20 1 1 A 124 124 LEU N N 124 110.434 120.447 -10.013 1 1 1376 . 20 1 1 A 125 125 ARG H H 125 8.701 7.681 1.020 1 1 1377 . 20 1 1 A 125 125 ARG HA H 125 3.783 4.322 -0.539 1 1 1380 . 20 1 1 A 125 125 ARG C C 125 173.029 174.987 -1.958 1 1 1381 . 20 1 1 A 125 125 ARG CA C 125 57.664 57.126 0.538 1 1 1382 . 20 1 1 A 125 125 ARG CB C 125 30.965 29.027 1.938 1 1 1383 . 20 1 1 A 125 125 ARG N N 125 121.940 119.080 2.860 1 1 1384 . 20 1 1 A 126 126 LEU H H 126 6.671 7.759 -1.088 1 1 1385 . 20 1 1 A 126 126 LEU HA H 126 4.621 4.525 0.096 1 1 1395 . 20 1 1 A 126 126 LEU C C 126 174.203 174.812 -0.609 1 1 1396 . 20 1 1 A 126 126 LEU CA C 126 51.922 53.109 -1.187 1 1 1397 . 20 1 1 A 126 126 LEU CB C 126 46.727 45.935 0.792 1 1 1401 . 20 1 1 A 126 126 LEU N N 126 111.885 119.525 -7.640 1 1 1402 . 20 1 1 A 127 127 LEU H H 127 8.447 8.504 -0.057 1 1 1403 . 20 1 1 A 127 127 LEU HA H 127 5.153 4.395 0.758 1 1 1413 . 20 1 1 A 127 127 LEU C C 127 175.145 177.151 -2.006 1 1 1414 . 20 1 1 A 127 127 LEU CA C 127 52.742 54.655 -1.913 1 1 1415 . 20 1 1 A 127 127 LEU CB C 127 43.172 42.022 1.150 1 1 1419 . 20 1 1 A 127 127 LEU N N 127 118.983 123.628 -4.645 1 1 1420 . 20 1 1 A 128 128 ALA H H 128 9.160 8.796 0.364 1 1 1421 . 20 1 1 A 128 128 ALA HA H 128 3.843 4.402 -0.559 1 1 1425 . 20 1 1 A 128 128 ALA C C 128 176.603 177.215 -0.612 1 1 1426 . 20 1 1 A 128 128 ALA CA C 128 52.469 52.429 0.040 1 1 1427 . 20 1 1 A 128 128 ALA CB C 128 18.291 19.226 -0.935 1 1 1428 . 20 1 1 A 128 128 ALA N N 128 121.682 127.670 -5.988 1 1 1429 . 20 1 1 A 129 129 ARG H H 129 6.254 8.755 -2.501 1 1 1430 . 20 1 1 A 129 129 ARG HA H 129 4.700 4.829 -0.129 1 1 1436 . 20 1 1 A 129 129 ARG C C 129 176.534 175.303 1.231 1 1 1437 . 20 1 1 A 129 129 ARG CA C 129 55.651 56.689 -1.038 1 1 1438 . 20 1 1 A 129 129 ARG CB C 129 29.775 30.729 -0.954 1 1 1441 . 20 1 1 A 129 129 ARG N N 129 120.393 123.390 -2.997 1 1 1442 . 20 1 1 A 130 130 SER H H 130 8.398 8.777 -0.379 1 1 1443 . 20 1 1 A 130 130 SER HA H 130 4.767 4.819 -0.052 1 1 1446 . 20 1 1 A 130 130 SER C C 130 172.957 172.225 0.732 1 1 1447 . 20 1 1 A 130 130 SER CA C 130 57.658 57.440 0.218 1 1 1448 . 20 1 1 A 130 130 SER CB C 130 63.679 67.694 -4.015 1 1 1449 . 20 1 1 A 130 130 SER N N 130 120.264 122.112 -1.848 1 1 1450 . 20 1 1 A 131 131 VAL H H 131 7.838 8.042 -0.204 1 1 1451 . 20 1 1 A 131 131 VAL HA H 131 5.086 4.949 0.137 1 1 1459 . 20 1 1 A 131 131 VAL C C 131 172.853 174.337 -1.484 1 1 1460 . 20 1 1 A 131 131 VAL CA C 131 60.746 60.588 0.158 1 1 1461 . 20 1 1 A 131 131 VAL CB C 131 36.610 35.529 1.081 1 1 1464 . 20 1 1 A 131 131 VAL N N 131 118.460 121.162 -2.702 1 1 1465 . 20 1 1 A 132 132 PHE H H 132 9.259 9.287 -0.028 1 1 1466 . 20 1 1 A 132 132 PHE HA H 132 5.583 5.563 0.020 1 1 1470 . 20 1 1 A 132 132 PHE C C 132 174.797 174.920 -0.123 1 1 1471 . 20 1 1 A 132 132 PHE CA C 132 56.296 56.209 0.087 1 1 1472 . 20 1 1 A 132 132 PHE CB C 132 44.539 43.904 0.635 1 1 1473 . 20 1 1 A 132 132 PHE N N 132 121.682 125.044 -3.362 1 1 1474 . 20 1 1 A 133 133 VAL H H 133 8.907 8.711 0.196 1 1 1475 . 20 1 1 A 133 133 VAL HA H 133 5.331 5.030 0.301 1 1 1483 . 20 1 1 A 133 133 VAL C C 133 174.450 175.208 -0.758 1 1 1484 . 20 1 1 A 133 133 VAL CA C 133 61.491 60.685 0.806 1 1 1485 . 20 1 1 A 133 133 VAL CB C 133 34.696 36.016 -1.320 1 1 1488 . 20 1 1 A 133 133 VAL N N 133 119.878 120.298 -0.420 1 1 1489 . 20 1 1 A 134 134 LEU H H 134 9.976 9.275 0.701 1 1 1490 . 20 1 1 A 134 134 LEU HA H 134 5.680 5.333 0.347 1 1 1500 . 20 1 1 A 134 134 LEU C C 134 176.777 175.336 1.441 1 1 1501 . 20 1 1 A 134 134 LEU CA C 134 52.195 53.416 -1.221 1 1 1502 . 20 1 1 A 134 134 LEU CB C 134 44.813 45.931 -1.118 1 1 1506 . 20 1 1 A 134 134 LEU N N 134 129.417 126.641 2.776 1 1 1507 . 20 1 1 A 135 135 ASP H H 135 9.051 9.234 -0.183 1 1 1508 . 20 1 1 A 135 135 ASP HA H 135 4.708 4.731 -0.023 1 1 1511 . 20 1 1 A 135 135 ASP C C 135 177.193 177.353 -0.160 1 1 1512 . 20 1 1 A 135 135 ASP CA C 135 52.276 53.776 -1.500 1 1 1513 . 20 1 1 A 135 135 ASP CB C 135 40.711 42.121 -1.410 1 1 1514 . 20 1 1 A 135 135 ASP N N 135 119.362 124.920 -5.558 1 1 1515 . 20 1 1 A 136 136 GLU H H 136 9.970 8.944 1.026 1 1 1516 . 20 1 1 A 136 136 GLU HA H 136 3.953 4.150 -0.197 1 1 1521 . 20 1 1 A 136 136 GLU C C 136 177.055 178.298 -1.243 1 1 1522 . 20 1 1 A 136 136 GLU CA C 136 58.757 59.385 -0.628 1 1 1523 . 20 1 1 A 136 136 GLU CB C 136 28.681 29.252 -0.571 1 1 1525 . 20 1 1 A 136 136 GLU N N 136 116.011 124.089 -8.078 1 1 1526 . 20 1 1 A 137 137 ASN H H 137 8.514 8.278 0.236 1 1 1527 . 20 1 1 A 137 137 ASN HA H 137 5.026 4.706 0.320 1 1 1532 . 20 1 1 A 137 137 ASN C C 137 175.943 175.582 0.361 1 1 1533 . 20 1 1 A 137 137 ASN CA C 137 52.753 53.310 -0.557 1 1 1534 . 20 1 1 A 137 137 ASN CB C 137 40.164 38.699 1.465 1 1 1535 . 20 1 1 A 137 137 ASN N N 137 117.042 116.000 1.042 1 1 1537 . 20 1 1 A 138 138 GLY H H 138 8.430 8.700 -0.270 1 1 1538 . 20 1 1 A 138 138 GLY HA2 H 138 3.690 4.020 -0.330 1 1 1539 . 20 1 1 A 138 138 GLY HA3 H 138 4.213 4.060 0.153 1 1 1540 . 20 1 1 A 138 138 GLY C C 138 172.436 174.326 -1.890 1 1 1541 . 20 1 1 A 138 138 GLY CA C 138 46.180 46.614 -0.434 1 1 1542 . 20 1 1 A 138 138 GLY N N 138 109.565 109.666 -0.101 1 1 1543 . 20 1 1 A 139 139 LYS H H 139 8.573 7.705 0.868 1 1 1544 . 20 1 1 A 139 139 LYS HA H 139 4.472 4.837 -0.365 1 1 1553 . 20 1 1 A 139 139 LYS C C 139 176.742 175.477 1.265 1 1 1554 . 20 1 1 A 139 139 LYS CA C 139 56.195 54.873 1.322 1 1 1555 . 20 1 1 A 139 139 LYS CB C 139 32.782 35.195 -2.413 1 1 1559 . 20 1 1 A 139 139 LYS N N 139 123.358 119.721 3.637 1 1 1560 . 20 1 1 A 140 140 VAL H H 140 9.102 8.813 0.289 1 1 1561 . 20 1 1 A 140 140 VAL HA H 140 4.293 4.480 -0.187 1 1 1569 . 20 1 1 A 140 140 VAL C C 140 177.124 176.669 0.455 1 1 1570 . 20 1 1 A 140 140 VAL CA C 140 63.952 62.090 1.862 1 1 1571 . 20 1 1 A 140 140 VAL CB C 140 31.142 32.139 -0.997 1 1 1574 . 20 1 1 A 140 140 VAL N N 140 125.292 123.929 1.363 1 1 1575 . 20 1 1 A 141 141 VAL H H 141 9.332 9.381 -0.049 1 1 1576 . 20 1 1 A 141 141 VAL HA H 141 4.670 4.461 0.209 1 1 1584 . 20 1 1 A 141 141 VAL C C 141 175.249 175.390 -0.141 1 1 1585 . 20 1 1 A 141 141 VAL CA C 141 61.491 62.317 -0.826 1 1 1586 . 20 1 1 A 141 141 VAL CB C 141 32.509 32.690 -0.181 1 1 1589 . 20 1 1 A 141 141 VAL N N 141 124.261 122.317 1.944 1 1 1590 . 20 1 1 A 142 142 TYR H H 142 7.959 7.539 0.420 1 1 1591 . 20 1 1 A 142 142 TYR HA H 142 4.389 4.831 -0.442 1 1 1596 . 20 1 1 A 142 142 TYR C C 142 172.262 173.507 -1.245 1 1 1597 . 20 1 1 A 142 142 TYR CA C 142 58.757 58.127 0.630 1 1 1598 . 20 1 1 A 142 142 TYR CB C 142 41.805 41.750 0.055 1 1 1599 . 20 1 1 A 142 142 TYR N N 142 122.198 123.146 -0.948 1 1 1600 . 20 1 1 A 143 143 ALA H H 143 7.642 7.847 -0.205 1 1 1601 . 20 1 1 A 143 143 ALA HA H 143 4.883 4.975 -0.092 1 1 1605 . 20 1 1 A 143 143 ALA C C 143 175.353 174.975 0.378 1 1 1606 . 20 1 1 A 143 143 ALA CA C 143 51.703 51.608 0.095 1 1 1607 . 20 1 1 A 143 143 ALA CB C 143 22.666 22.222 0.444 1 1 1608 . 20 1 1 A 143 143 ALA N N 143 129.804 128.813 0.991 1 1 1609 . 20 1 1 A 144 144 GLU H H 144 8.292 8.561 -0.269 1 1 1610 . 20 1 1 A 144 144 GLU HA H 144 4.297 4.898 -0.601 1 1 1615 . 20 1 1 A 144 144 GLU C C 144 173.860 173.885 -0.025 1 1 1616 . 20 1 1 A 144 144 GLU CA C 144 56.296 55.099 1.197 1 1 1617 . 20 1 1 A 144 144 GLU CB C 144 32.509 33.859 -1.350 1 1 1619 . 20 1 1 A 144 144 GLU N N 144 122.198 121.722 0.476 1 1 1620 . 20 1 1 A 145 145 TYR H H 145 9.006 8.936 0.070 1 1 1621 . 20 1 1 A 145 145 TYR HA H 145 4.125 5.050 -0.925 1 1 1626 . 20 1 1 A 145 145 TYR C C 145 175.164 175.149 0.015 1 1 1627 . 20 1 1 A 145 145 TYR CA C 145 57.117 56.708 0.409 1 1 1628 . 20 1 1 A 145 145 TYR CB C 145 38.251 40.734 -2.483 1 1 1629 . 20 1 1 A 145 145 TYR N N 145 128.128 124.178 3.950 1 1 1630 . 20 1 1 A 146 146 VAL H H 146 7.441 8.472 -1.031 1 1 1631 . 20 1 1 A 146 146 VAL HA H 146 3.672 4.037 -0.365 1 1 1639 . 20 1 1 A 146 146 VAL C C 146 176.777 176.544 0.233 1 1 1640 . 20 1 1 A 146 146 VAL CA C 146 64.226 63.678 0.548 1 1 1641 . 20 1 1 A 146 146 VAL CB C 146 30.868 31.998 -1.130 1 1 1644 . 20 1 1 A 146 146 VAL N N 146 125.808 125.972 -0.164 1 1 1645 . 20 1 1 A 147 147 SER H H 147 8.359 8.669 -0.310 1 1 1646 . 20 1 1 A 147 147 SER HA H 147 4.007 4.272 -0.265 1 1 1649 . 20 1 1 A 147 147 SER C C 147 172.123 174.719 -2.596 1 1 1650 . 20 1 1 A 147 147 SER CA C 147 63.132 61.713 1.419 1 1 1651 . 20 1 1 A 147 147 SER CB C 147 62.859 62.922 -0.063 1 1 1652 . 20 1 1 A 147 147 SER N N 147 121.425 121.055 0.370 1 1 1653 . 20 1 1 A 148 148 GLU H H 148 7.177 7.979 -0.802 1 1 1654 . 20 1 1 A 148 148 GLU HA H 148 5.055 4.871 0.184 1 1 1659 . 20 1 1 A 148 148 GLU C C 148 176.082 176.327 -0.245 1 1 1660 . 20 1 1 A 148 148 GLU CA C 148 52.563 55.289 -2.726 1 1 1661 . 20 1 1 A 148 148 GLU CB C 148 29.774 31.857 -2.083 1 1 1663 . 20 1 1 A 148 148 GLU N N 148 119.620 120.782 -1.162 1 1 1664 . 20 1 1 A 149 149 ALA H H 149 9.142 9.429 -0.287 1 1 1665 . 20 1 1 A 149 149 ALA HA H 149 4.704 4.058 0.646 1 1 1669 . 20 1 1 A 149 149 ALA C C 149 177.437 178.677 -1.240 1 1 1670 . 20 1 1 A 149 149 ALA CA C 149 54.466 55.059 -0.593 1 1 1671 . 20 1 1 A 149 149 ALA CB C 149 19.111 18.660 0.451 1 1 1672 . 20 1 1 A 149 149 ALA N N 149 127.741 129.604 -1.863 1 1 1673 . 20 1 1 A 150 150 THR H H 150 8.200 7.575 0.625 1 1 1674 . 20 1 1 A 150 150 THR HA H 150 4.393 4.305 0.088 1 1 1679 . 20 1 1 A 150 150 THR C C 150 174.554 173.531 1.023 1 1 1680 . 20 1 1 A 150 150 THR CA C 150 62.312 62.634 -0.322 1 1 1681 . 20 1 1 A 150 150 THR CB C 150 69.694 69.022 0.672 1 1 1683 . 20 1 1 A 150 150 THR N N 150 104.453 107.324 -2.871 1 1 1684 . 20 1 1 A 151 151 ASN H H 151 7.984 7.795 0.189 1 1 1685 . 20 1 1 A 151 151 ASN HA H 151 4.947 5.108 -0.161 1 1 1690 . 20 1 1 A 151 151 ASN C C 151 174.554 173.375 1.179 1 1 1691 . 20 1 1 A 151 151 ASN CA C 151 51.135 51.255 -0.120 1 1 1692 . 20 1 1 A 151 151 ASN CB C 151 39.344 40.519 -1.175 1 1 1693 . 20 1 1 A 151 151 ASN N N 151 123.487 118.693 4.794 1 1 1695 . 20 1 1 A 152 152 HIS H H 152 8.160 8.276 -0.116 1 1 1696 . 20 1 1 A 152 152 HIS HA H 152 4.731 5.186 -0.455 1 1 1700 . 20 1 1 A 152 152 HIS C C 152 174.381 174.399 -0.018 1 1 1701 . 20 1 1 A 152 152 HIS CA C 152 54.854 53.939 0.915 1 1 1702 . 20 1 1 A 152 152 HIS CB C 152 31.415 31.956 -0.541 1 1 1703 . 20 1 1 A 152 152 HIS N N 152 116.139 114.205 1.934 1 1 1704 . 20 1 1 A 153 153 PRO HA H 153 4.335 4.525 -0.190 1 1 1709 . 20 1 1 A 153 153 PRO C C 153 173.894 176.350 -2.456 1 1 1710 . 20 1 1 A 153 153 PRO CA C 153 61.491 62.222 -0.731 1 1 1711 . 20 1 1 A 153 153 PRO CB C 153 32.782 32.666 0.116 1 1 1714 . 20 1 1 A 154 154 ASN H H 154 9.511 8.582 0.929 1 1 1715 . 20 1 1 A 154 154 ASN HA H 154 4.306 4.777 -0.471 1 1 1720 . 20 1 1 A 154 154 ASN C C 154 176.568 175.740 0.828 1 1 1721 . 20 1 1 A 154 154 ASN CA C 154 54.656 53.002 1.654 1 1 1722 . 20 1 1 A 154 154 ASN CB C 154 39.071 38.985 0.086 1 1 1723 . 20 1 1 A 154 154 ASN N N 154 118.718 119.715 -0.997 1 1 1725 . 20 1 1 A 155 155 TYR H H 155 8.691 8.283 0.408 1 1 1726 . 20 1 1 A 155 155 TYR HA H 155 4.364 4.510 -0.146 1 1 1731 . 20 1 1 A 155 155 TYR C C 155 176.256 175.990 0.266 1 1 1732 . 20 1 1 A 155 155 TYR CA C 155 59.304 56.855 2.449 1 1 1733 . 20 1 1 A 155 155 TYR CB C 155 39.344 39.472 -0.128 1 1 1734 . 20 1 1 A 155 155 TYR N N 155 125.421 123.563 1.858 1 1 1735 . 20 1 1 A 156 156 GLU H H 156 8.200 7.865 0.335 1 1 1736 . 20 1 1 A 156 156 GLU HA H 156 4.415 4.435 -0.020 1 1 1741 . 20 1 1 A 156 156 GLU C C 156 178.583 178.239 0.344 1 1 1742 . 20 1 1 A 156 156 GLU CA C 156 58.757 57.866 0.891 1 1 1743 . 20 1 1 A 156 156 GLU CB C 156 30.868 30.798 0.070 1 1 1745 . 20 1 1 A 156 156 GLU N N 156 119.878 118.353 1.525 1 1 1746 . 20 1 1 A 157 157 LYS H H 157 8.718 8.162 0.556 1 1 1747 . 20 1 1 A 157 157 LYS HA H 157 4.095 3.986 0.109 1 1 1756 . 20 1 1 A 157 157 LYS C C 157 176.152 175.455 0.697 1 1 1757 . 20 1 1 A 157 157 LYS CA C 157 60.398 61.130 -0.732 1 1 1758 . 20 1 1 A 157 157 LYS CB C 157 30.595 30.938 -0.343 1 1 1762 . 20 1 1 A 157 157 LYS N N 157 121.167 119.695 1.472 1 1 1763 . 20 1 1 A 158 158 PRO HA H 158 3.116 3.784 -0.668 1 1 1770 . 20 1 1 A 158 158 PRO C C 158 177.853 179.344 -1.491 1 1 1771 . 20 1 1 A 158 158 PRO CA C 158 65.319 65.120 0.199 1 1 1772 . 20 1 1 A 158 158 PRO CB C 158 30.595 30.434 0.161 1 1 1775 . 20 1 1 A 159 159 ILE H H 159 6.215 7.446 -1.231 1 1 1776 . 20 1 1 A 159 159 ILE HA H 159 3.594 3.860 -0.266 1 1 1786 . 20 1 1 A 159 159 ILE C C 159 177.610 177.717 -0.107 1 1 1787 . 20 1 1 A 159 159 ILE CA C 159 62.312 64.266 -1.954 1 1 1788 . 20 1 1 A 159 159 ILE CB C 159 35.516 37.792 -2.276 1 1 1792 . 20 1 1 A 159 159 ILE N N 159 113.948 116.393 -2.445 1 1 1793 . 20 1 1 A 160 160 GLU H H 160 7.572 8.454 -0.882 1 1 1794 . 20 1 1 A 160 160 GLU HA H 160 3.876 3.983 -0.107 1 1 1799 . 20 1 1 A 160 160 GLU C C 160 179.277 179.822 -0.545 1 1 1800 . 20 1 1 A 160 160 GLU CA C 160 59.304 59.212 0.092 1 1 1801 . 20 1 1 A 160 160 GLU CB C 160 29.774 29.476 0.298 1 1 1803 . 20 1 1 A 160 160 GLU N N 160 119.104 121.130 -2.026 1 1 1804 . 20 1 1 A 161 161 ALA H H 161 7.902 8.073 -0.171 1 1 1805 . 20 1 1 A 161 161 ALA HA H 161 4.137 4.204 -0.067 1 1 1809 . 20 1 1 A 161 161 ALA C C 161 179.485 180.105 -0.620 1 1 1810 . 20 1 1 A 161 161 ALA CA C 161 54.656 55.104 -0.448 1 1 1811 . 20 1 1 A 161 161 ALA CB C 161 18.017 17.997 0.020 1 1 1812 . 20 1 1 A 161 161 ALA N N 161 120.393 123.544 -3.151 1 1 1813 . 20 1 1 A 162 162 ALA H H 162 7.734 8.031 -0.297 1 1 1814 . 20 1 1 A 162 162 ALA HA H 162 3.950 4.096 -0.146 1 1 1818 . 20 1 1 A 162 162 ALA C C 162 179.485 179.825 -0.340 1 1 1819 . 20 1 1 A 162 162 ALA CA C 162 54.656 55.316 -0.660 1 1 1820 . 20 1 1 A 162 162 ALA CB C 162 19.111 18.191 0.920 1 1 1821 . 20 1 1 A 162 162 ALA N N 162 118.202 120.697 -2.495 1 1 1822 . 20 1 1 A 163 163 LYS H H 163 8.760 8.585 0.175 1 1 1823 . 20 1 1 A 163 163 LYS HA H 163 3.842 3.986 -0.144 1 1 1832 . 20 1 1 A 163 163 LYS C C 163 178.201 179.585 -1.384 1 1 1833 . 20 1 1 A 163 163 LYS CA C 163 59.578 59.261 0.317 1 1 1834 . 20 1 1 A 163 163 LYS CB C 163 32.782 32.162 0.620 1 1 1838 . 20 1 1 A 163 163 LYS N N 163 118.202 117.013 1.189 1 1 1839 . 20 1 1 A 164 164 ALA H H 164 7.216 8.350 -1.134 1 1 1840 . 20 1 1 A 164 164 ALA HA H 164 4.215 4.119 0.096 1 1 1844 . 20 1 1 A 164 164 ALA C C 164 178.339 180.130 -1.791 1 1 1845 . 20 1 1 A 164 164 ALA CA C 164 53.836 54.895 -1.059 1 1 1846 . 20 1 1 A 164 164 ALA CB C 164 18.291 18.420 -0.129 1 1 1847 . 20 1 1 A 164 164 ALA N N 164 117.557 122.076 -4.519 1 1 1848 . 20 1 1 A 165 165 LEU H H 165 7.503 7.886 -0.383 1 1 1849 . 20 1 1 A 165 165 LEU HA H 165 4.432 4.115 0.317 1 1 1859 . 20 1 1 A 165 165 LEU C C 165 177.714 178.945 -1.231 1 1 1860 . 20 1 1 A 165 165 LEU CA C 165 54.929 57.623 -2.694 1 1 1861 . 20 1 1 A 165 165 LEU CB C 165 44.256 41.968 2.288 1 1 1865 . 20 1 1 A 165 165 LEU N N 165 115.753 120.339 -4.586 1 1 1866 . 20 1 1 A 166 166 VAL H H 166 7.337 8.234 -0.897 1 1 1867 . 20 1 1 A 166 166 VAL HA H 166 4.103 3.545 0.558 1 1 1875 . 20 1 1 A 166 166 VAL C C 166 175.040 177.882 -2.842 1 1 1876 . 20 1 1 A 166 166 VAL CA C 166 62.859 66.692 -3.833 1 1 1877 . 20 1 1 A 166 166 VAL CB C 166 32.509 31.883 0.626 1 1 1880 . 20 1 1 A 166 166 VAL N N 166 118.589 118.606 -0.017 1 1 1 . 21 1 1 A 2 2 ALA HA H 2 3.876 4.741 -0.865 1 1 5 . 21 1 1 A 2 2 ALA C C 2 172.590 176.795 -4.205 1 1 6 . 21 1 1 A 2 2 ALA CA C 2 51.922 50.715 1.207 1 1 7 . 21 1 1 A 2 2 ALA CB C 2 18.924 19.166 -0.242 1 1 8 . 21 1 1 A 3 3 GLU H H 3 8.262 8.394 -0.132 1 1 9 . 21 1 1 A 3 3 GLU HA H 3 4.641 4.383 0.258 1 1 14 . 21 1 1 A 3 3 GLU C C 3 175.157 175.985 -0.828 1 1 15 . 21 1 1 A 3 3 GLU CA C 3 55.476 56.429 -0.953 1 1 16 . 21 1 1 A 3 3 GLU CB C 3 31.142 30.648 0.494 1 1 18 . 21 1 1 A 3 3 GLU N N 3 121.167 121.140 0.027 1 1 19 . 21 1 1 A 4 4 ILE H H 4 9.053 8.645 0.408 1 1 20 . 21 1 1 A 4 4 ILE HA H 4 5.361 5.063 0.298 1 1 30 . 21 1 1 A 4 4 ILE C C 4 175.817 174.881 0.936 1 1 31 . 21 1 1 A 4 4 ILE CA C 4 59.304 59.207 0.097 1 1 32 . 21 1 1 A 4 4 ILE CB C 4 42.079 42.425 -0.346 1 1 36 . 21 1 1 A 4 4 ILE N N 4 124.776 119.447 5.329 1 1 37 . 21 1 1 A 5 5 THR H H 5 8.977 8.443 0.534 1 1 38 . 21 1 1 A 5 5 THR HA H 5 5.141 5.292 -0.151 1 1 43 . 21 1 1 A 5 5 THR C C 5 173.483 173.418 0.065 1 1 44 . 21 1 1 A 5 5 THR CA C 5 59.304 60.061 -0.757 1 1 45 . 21 1 1 A 5 5 THR CB C 5 73.249 72.455 0.794 1 1 47 . 21 1 1 A 5 5 THR N N 5 112.659 116.935 -4.276 1 1 48 . 21 1 1 A 6 6 PHE H H 6 9.173 9.480 -0.307 1 1 49 . 21 1 1 A 6 6 PHE HA H 6 4.866 5.040 -0.174 1 1 53 . 21 1 1 A 6 6 PHE C C 6 175.591 174.786 0.805 1 1 54 . 21 1 1 A 6 6 PHE CA C 6 58.054 57.311 0.743 1 1 55 . 21 1 1 A 6 6 PHE CB C 6 42.625 42.382 0.243 1 1 56 . 21 1 1 A 6 6 PHE N N 6 119.362 124.846 -5.484 1 1 57 . 21 1 1 A 7 7 LYS H H 7 11.130 9.342 1.788 1 1 58 . 21 1 1 A 7 7 LYS HA H 7 3.567 3.905 -0.338 1 1 67 . 21 1 1 A 7 7 LYS C C 7 177.661 175.764 1.897 1 1 68 . 21 1 1 A 7 7 LYS CA C 7 57.390 57.252 0.138 1 1 69 . 21 1 1 A 7 7 LYS CB C 7 29.222 31.375 -2.153 1 1 73 . 21 1 1 A 7 7 LYS N N 7 134.058 127.018 7.040 1 1 74 . 21 1 1 A 8 8 GLY H H 8 8.965 8.933 0.032 1 1 75 . 21 1 1 A 8 8 GLY HA2 H 8 4.244 3.857 0.387 1 1 76 . 21 1 1 A 8 8 GLY HA3 H 8 3.528 3.860 -0.332 1 1 77 . 21 1 1 A 8 8 GLY C C 8 173.822 174.097 -0.275 1 1 78 . 21 1 1 A 8 8 GLY CA C 8 45.360 45.412 -0.052 1 1 79 . 21 1 1 A 8 8 GLY N N 8 104.280 105.312 -1.032 1 1 80 . 21 1 1 A 9 9 GLY H H 9 7.942 8.294 -0.352 1 1 81 . 21 1 1 A 9 9 GLY HA2 H 9 4.815 4.221 0.594 1 1 82 . 21 1 1 A 9 9 GLY HA3 H 9 3.715 4.243 -0.528 1 1 83 . 21 1 1 A 9 9 GLY C C 9 171.262 173.370 -2.108 1 1 84 . 21 1 1 A 9 9 GLY CA C 9 43.172 44.779 -1.607 1 1 85 . 21 1 1 A 9 9 GLY N N 9 109.823 108.008 1.815 1 1 86 . 21 1 1 A 10 10 PRO HA H 10 4.640 4.555 0.085 1 1 93 . 21 1 1 A 10 10 PRO C C 10 177.097 176.368 0.729 1 1 94 . 21 1 1 A 10 10 PRO CA C 10 63.952 63.148 0.804 1 1 95 . 21 1 1 A 10 10 PRO CB C 10 32.509 32.499 0.010 1 1 98 . 21 1 1 A 11 11 VAL H H 11 7.770 8.496 -0.726 1 1 99 . 21 1 1 A 11 11 VAL HA H 11 4.632 5.200 -0.568 1 1 107 . 21 1 1 A 11 11 VAL C C 11 174.462 174.728 -0.266 1 1 108 . 21 1 1 A 11 11 VAL CA C 11 59.304 59.512 -0.208 1 1 109 . 21 1 1 A 11 11 VAL CB C 11 35.516 36.919 -1.403 1 1 112 . 21 1 1 A 11 11 VAL N N 11 115.495 116.534 -1.039 1 1 113 . 21 1 1 A 12 12 THR H H 12 10.773 8.531 2.242 1 1 114 . 21 1 1 A 12 12 THR HA H 12 4.425 4.961 -0.536 1 1 119 . 21 1 1 A 12 12 THR C C 12 173.505 173.543 -0.038 1 1 120 . 21 1 1 A 12 12 THR CA C 12 62.312 61.043 1.269 1 1 121 . 21 1 1 A 12 12 THR CB C 12 69.694 72.562 -2.868 1 1 123 . 21 1 1 A 12 12 THR N N 12 121.940 114.858 7.082 1 1 124 . 21 1 1 A 13 13 LEU H H 13 8.524 8.900 -0.376 1 1 125 . 21 1 1 A 13 13 LEU HA H 13 5.132 4.785 0.347 1 1 135 . 21 1 1 A 13 13 LEU C C 13 177.285 178.246 -0.961 1 1 136 . 21 1 1 A 13 13 LEU CA C 13 53.289 53.312 -0.023 1 1 137 . 21 1 1 A 13 13 LEU CB C 13 42.352 43.346 -0.994 1 1 141 . 21 1 1 A 13 13 LEU N N 13 125.550 124.707 0.843 1 1 142 . 21 1 1 A 14 14 VAL H H 14 8.962 8.574 0.388 1 1 143 . 21 1 1 A 14 14 VAL HA H 14 3.859 3.707 0.152 1 1 151 . 21 1 1 A 14 14 VAL C C 14 174.604 176.785 -2.181 1 1 152 . 21 1 1 A 14 14 VAL CA C 14 62.312 64.473 -2.161 1 1 153 . 21 1 1 A 14 14 VAL CB C 14 32.509 31.439 1.070 1 1 156 . 21 1 1 A 14 14 VAL N N 14 126.968 120.852 6.116 1 1 157 . 21 1 1 A 15 15 GLY H H 15 7.838 7.805 0.033 1 1 158 . 21 1 1 A 15 15 GLY HA2 H 15 5.132 4.076 1.056 1 1 159 . 21 1 1 A 15 15 GLY HA3 H 15 3.730 4.088 -0.358 1 1 160 . 21 1 1 A 15 15 GLY C C 15 174.542 174.781 -0.239 1 1 161 . 21 1 1 A 15 15 GLY CA C 15 43.446 45.308 -1.862 1 1 162 . 21 1 1 A 15 15 GLY N N 15 110.596 108.474 2.122 1 1 163 . 21 1 1 A 16 16 GLN H H 16 8.247 7.927 0.320 1 1 164 . 21 1 1 A 16 16 GLN HA H 16 4.347 3.977 0.370 1 1 171 . 21 1 1 A 16 16 GLN C C 16 174.876 175.114 -0.238 1 1 172 . 21 1 1 A 16 16 GLN CA C 16 54.656 57.888 -3.232 1 1 173 . 21 1 1 A 16 16 GLN CB C 16 30.321 27.230 3.091 1 1 175 . 21 1 1 A 16 16 GLN N N 16 120.522 115.986 4.536 1 1 177 . 21 1 1 A 17 17 GLU H H 17 8.149 8.127 0.022 1 1 178 . 21 1 1 A 17 17 GLU HA H 17 3.938 3.563 0.375 1 1 183 . 21 1 1 A 17 17 GLU C C 17 176.607 176.060 0.547 1 1 184 . 21 1 1 A 17 17 GLU CA C 17 57.117 56.019 1.098 1 1 185 . 21 1 1 A 17 17 GLU CB C 17 30.321 29.185 1.136 1 1 187 . 21 1 1 A 17 17 GLU N N 17 123.616 119.819 3.797 1 1 188 . 21 1 1 A 18 18 VAL H H 18 8.605 8.684 -0.079 1 1 189 . 21 1 1 A 18 18 VAL HA H 18 4.047 4.284 -0.237 1 1 197 . 21 1 1 A 18 18 VAL C C 18 174.386 175.350 -0.964 1 1 198 . 21 1 1 A 18 18 VAL CA C 18 61.765 61.050 0.715 1 1 199 . 21 1 1 A 18 18 VAL CB C 18 32.782 32.946 -0.164 1 1 202 . 21 1 1 A 18 18 VAL N N 18 125.936 121.598 4.338 1 1 203 . 21 1 1 A 19 19 LYS H H 19 8.461 8.913 -0.452 1 1 204 . 21 1 1 A 19 19 LYS HA H 19 4.624 4.965 -0.341 1 1 213 . 21 1 1 A 19 19 LYS C C 19 176.457 174.603 1.854 1 1 214 . 21 1 1 A 19 19 LYS CA C 19 53.562 54.501 -0.939 1 1 215 . 21 1 1 A 19 19 LYS CB C 19 34.423 35.853 -1.430 1 1 219 . 21 1 1 A 19 19 LYS N N 19 123.874 118.596 5.278 1 1 220 . 21 1 1 A 20 20 VAL H H 20 8.349 8.457 -0.108 1 1 221 . 21 1 1 A 20 20 VAL HA H 20 3.421 3.880 -0.459 1 1 229 . 21 1 1 A 20 20 VAL C C 20 177.624 176.970 0.654 1 1 230 . 21 1 1 A 20 20 VAL CA C 20 65.593 63.410 2.183 1 1 231 . 21 1 1 A 20 20 VAL CB C 20 31.415 31.526 -0.111 1 1 234 . 21 1 1 A 20 20 VAL N N 20 120.393 122.293 -1.900 1 1 235 . 21 1 1 A 21 21 GLY H H 21 9.338 9.452 -0.114 1 1 236 . 21 1 1 A 21 21 GLY HA2 H 21 4.566 4.058 0.508 1 1 237 . 21 1 1 A 21 21 GLY HA3 H 21 3.536 4.068 -0.532 1 1 238 . 21 1 1 A 21 21 GLY C C 21 174.160 174.796 -0.636 1 1 239 . 21 1 1 A 21 21 GLY CA C 21 44.539 45.450 -0.911 1 1 240 . 21 1 1 A 21 21 GLY N N 21 117.429 117.655 -0.226 1 1 241 . 21 1 1 A 22 22 ASP H H 22 8.222 8.030 0.192 1 1 242 . 21 1 1 A 22 22 ASP HA H 22 4.650 4.539 0.111 1 1 245 . 21 1 1 A 22 22 ASP C C 22 176.231 175.810 0.421 1 1 246 . 21 1 1 A 22 22 ASP CA C 22 54.382 55.331 -0.949 1 1 247 . 21 1 1 A 22 22 ASP CB C 22 40.985 41.481 -0.496 1 1 248 . 21 1 1 A 22 22 ASP N N 22 121.811 121.562 0.249 1 1 249 . 21 1 1 A 23 23 GLN H H 23 8.598 8.036 0.562 1 1 250 . 21 1 1 A 23 23 GLN HA H 23 4.224 4.364 -0.140 1 1 257 . 21 1 1 A 23 23 GLN C C 23 175.892 174.672 1.220 1 1 258 . 21 1 1 A 23 23 GLN CA C 23 55.203 58.249 -3.046 1 1 259 . 21 1 1 A 23 23 GLN CB C 23 28.954 27.823 1.131 1 1 261 . 21 1 1 A 23 23 GLN N N 23 119.491 117.146 2.345 1 1 263 . 21 1 1 A 24 24 ALA H H 24 8.664 8.383 0.281 1 1 264 . 21 1 1 A 24 24 ALA HA H 24 4.030 4.847 -0.817 1 1 268 . 21 1 1 A 24 24 ALA C C 24 174.386 177.206 -2.820 1 1 269 . 21 1 1 A 24 24 ALA CA C 24 51.101 49.321 1.780 1 1 270 . 21 1 1 A 24 24 ALA CB C 24 19.111 21.726 -2.615 1 1 271 . 21 1 1 A 24 24 ALA N N 24 129.804 122.973 6.831 1 1 272 . 21 1 1 A 25 25 PRO HA H 25 4.422 4.414 0.008 1 1 279 . 21 1 1 A 25 25 PRO C C 25 173.596 176.804 -3.208 1 1 280 . 21 1 1 A 25 25 PRO CA C 25 61.765 64.564 -2.799 1 1 281 . 21 1 1 A 25 25 PRO CB C 25 32.509 32.062 0.447 1 1 284 . 21 1 1 A 26 26 ASP H H 26 7.546 8.226 -0.680 1 1 285 . 21 1 1 A 26 26 ASP HA H 26 4.411 4.123 0.288 1 1 288 . 21 1 1 A 26 26 ASP C C 26 175.591 175.598 -0.007 1 1 289 . 21 1 1 A 26 26 ASP CA C 26 54.656 54.784 -0.128 1 1 290 . 21 1 1 A 26 26 ASP CB C 26 42.625 39.172 3.453 1 1 291 . 21 1 1 A 26 26 ASP N N 26 114.979 118.700 -3.721 1 1 292 . 21 1 1 A 27 27 PHE H H 27 7.379 7.564 -0.185 1 1 293 . 21 1 1 A 27 27 PHE HA H 27 4.659 4.754 -0.095 1 1 295 . 21 1 1 A 27 27 PHE C C 27 173.407 174.618 -1.211 1 1 296 . 21 1 1 A 27 27 PHE CA C 27 56.570 56.292 0.278 1 1 297 . 21 1 1 A 27 27 PHE CB C 27 39.891 40.488 -0.597 1 1 298 . 21 1 1 A 27 27 PHE N N 27 113.561 116.541 -2.980 1 1 299 . 21 1 1 A 28 28 THR H H 28 8.540 8.857 -0.317 1 1 300 . 21 1 1 A 28 28 THR HA H 28 4.936 5.472 -0.536 1 1 305 . 21 1 1 A 28 28 THR C C 28 173.443 174.082 -0.639 1 1 306 . 21 1 1 A 28 28 THR CA C 28 62.889 61.520 1.369 1 1 307 . 21 1 1 A 28 28 THR CB C 28 72.155 72.147 0.008 1 1 309 . 21 1 1 A 28 28 THR N N 28 114.593 113.704 0.889 1 1 310 . 21 1 1 A 29 29 VAL H H 29 9.120 9.167 -0.047 1 1 311 . 21 1 1 A 29 29 VAL HA H 29 4.863 5.048 -0.185 1 1 319 . 21 1 1 A 29 29 VAL C C 29 173.558 174.659 -1.101 1 1 320 . 21 1 1 A 29 29 VAL CA C 29 59.527 59.311 0.216 1 1 321 . 21 1 1 A 29 29 VAL CB C 29 35.243 36.242 -0.999 1 1 324 . 21 1 1 A 29 29 VAL N N 29 119.233 119.391 -0.158 1 1 325 . 21 1 1 A 30 30 LEU H H 30 8.565 9.100 -0.535 1 1 326 . 21 1 1 A 30 30 LEU HA H 30 5.615 5.297 0.318 1 1 336 . 21 1 1 A 30 30 LEU C C 30 180.310 177.015 3.295 1 1 337 . 21 1 1 A 30 30 LEU CA C 30 53.562 53.257 0.305 1 1 338 . 21 1 1 A 30 30 LEU CB C 30 47.547 44.360 3.187 1 1 342 . 21 1 1 A 30 30 LEU N N 30 117.429 121.922 -4.493 1 1 343 . 21 1 1 A 31 31 THR H H 31 9.587 8.666 0.921 1 1 344 . 21 1 1 A 31 31 THR HA H 31 4.741 4.501 0.240 1 1 349 . 21 1 1 A 31 31 THR C C 31 176.457 175.427 1.030 1 1 350 . 21 1 1 A 31 31 THR CA C 31 60.632 60.723 -0.091 1 1 351 . 21 1 1 A 31 31 THR CB C 31 71.451 71.395 0.056 1 1 353 . 21 1 1 A 31 31 THR N N 31 114.721 115.294 -0.573 1 1 354 . 21 1 1 A 32 32 ASN H H 32 9.812 9.320 0.492 1 1 355 . 21 1 1 A 32 32 ASN HA H 32 4.352 4.406 -0.054 1 1 358 . 21 1 1 A 32 32 ASN C C 32 175.252 176.753 -1.501 1 1 359 . 21 1 1 A 32 32 ASN CA C 32 55.476 55.756 -0.280 1 1 360 . 21 1 1 A 32 32 ASN CB C 32 38.524 38.346 0.178 1 1 361 . 21 1 1 A 32 32 ASN N N 32 118.460 120.865 -2.405 1 1 362 . 21 1 1 A 33 33 SER H H 33 7.782 7.768 0.014 1 1 363 . 21 1 1 A 33 33 SER HA H 33 4.562 4.544 0.018 1 1 366 . 21 1 1 A 33 33 SER C C 33 173.822 173.265 0.557 1 1 367 . 21 1 1 A 33 33 SER CA C 33 57.390 58.037 -0.647 1 1 368 . 21 1 1 A 33 33 SER CB C 33 62.859 63.252 -0.393 1 1 369 . 21 1 1 A 33 33 SER N N 33 110.725 112.336 -1.611 1 1 370 . 21 1 1 A 34 34 LEU H H 34 8.342 7.979 0.363 1 1 371 . 21 1 1 A 34 34 LEU HA H 34 3.686 3.752 -0.066 1 1 381 . 21 1 1 A 34 34 LEU C C 34 175.516 175.157 0.359 1 1 382 . 21 1 1 A 34 34 LEU CA C 34 57.117 56.161 0.956 1 1 383 . 21 1 1 A 34 34 LEU CB C 34 37.430 39.775 -2.345 1 1 387 . 21 1 1 A 34 34 LEU N N 34 116.913 119.407 -2.494 1 1 388 . 21 1 1 A 35 35 GLU H H 35 7.538 7.797 -0.259 1 1 389 . 21 1 1 A 35 35 GLU HA H 35 4.546 4.819 -0.273 1 1 394 . 21 1 1 A 35 35 GLU C C 35 176.005 175.904 0.101 1 1 395 . 21 1 1 A 35 35 GLU CA C 35 54.929 55.015 -0.086 1 1 396 . 21 1 1 A 35 35 GLU CB C 35 30.868 31.622 -0.754 1 1 398 . 21 1 1 A 35 35 GLU N N 35 117.429 117.178 0.251 1 1 399 . 21 1 1 A 36 36 GLU H H 36 8.681 8.486 0.195 1 1 400 . 21 1 1 A 36 36 GLU HA H 36 4.740 4.502 0.238 1 1 405 . 21 1 1 A 36 36 GLU C C 36 176.833 175.498 1.335 1 1 406 . 21 1 1 A 36 36 GLU CA C 36 56.923 56.480 0.443 1 1 407 . 21 1 1 A 36 36 GLU CB C 36 30.868 30.192 0.676 1 1 409 . 21 1 1 A 36 36 GLU N N 36 121.296 121.806 -0.510 1 1 410 . 21 1 1 A 37 37 LYS H H 37 9.122 8.616 0.506 1 1 411 . 21 1 1 A 37 37 LYS HA H 37 4.639 4.640 -0.001 1 1 420 . 21 1 1 A 37 37 LYS C C 37 173.671 175.267 -1.596 1 1 421 . 21 1 1 A 37 37 LYS CA C 37 55.476 55.370 0.106 1 1 422 . 21 1 1 A 37 37 LYS CB C 37 35.243 35.599 -0.356 1 1 426 . 21 1 1 A 37 37 LYS N N 37 125.292 122.713 2.579 1 1 427 . 21 1 1 A 38 38 SER H H 38 9.337 8.711 0.626 1 1 428 . 21 1 1 A 38 38 SER HA H 38 5.310 4.955 0.355 1 1 431 . 21 1 1 A 38 38 SER C C 38 175.102 175.152 -0.050 1 1 432 . 21 1 1 A 38 38 SER CA C 38 56.296 57.049 -0.753 1 1 433 . 21 1 1 A 38 38 SER CB C 38 67.233 65.559 1.674 1 1 434 . 21 1 1 A 38 38 SER N N 38 121.811 118.476 3.335 1 1 435 . 21 1 1 A 39 39 LEU H H 39 7.023 8.334 -1.311 1 1 436 . 21 1 1 A 39 39 LEU HA H 39 3.872 3.710 0.162 1 1 446 . 21 1 1 A 39 39 LEU C C 39 179.845 178.333 1.512 1 1 447 . 21 1 1 A 39 39 LEU CA C 39 58.210 58.050 0.160 1 1 448 . 21 1 1 A 39 39 LEU CB C 39 40.711 40.733 -0.022 1 1 452 . 21 1 1 A 39 39 LEU N N 39 121.811 122.628 -0.817 1 1 453 . 21 1 1 A 40 40 ALA H H 40 8.447 8.125 0.322 1 1 454 . 21 1 1 A 40 40 ALA HA H 40 3.890 3.953 -0.063 1 1 458 . 21 1 1 A 40 40 ALA C C 40 179.995 179.797 0.198 1 1 459 . 21 1 1 A 40 40 ALA CA C 40 55.203 54.678 0.525 1 1 460 . 21 1 1 A 40 40 ALA CB C 40 18.291 18.383 -0.092 1 1 461 . 21 1 1 A 40 40 ALA N N 40 119.362 119.186 0.176 1 1 462 . 21 1 1 A 41 41 ASP H H 41 7.517 7.995 -0.478 1 1 463 . 21 1 1 A 41 41 ASP HA H 41 4.469 4.327 0.142 1 1 466 . 21 1 1 A 41 41 ASP C C 41 176.720 178.231 -1.511 1 1 467 . 21 1 1 A 41 41 ASP CA C 41 56.296 56.957 -0.661 1 1 468 . 21 1 1 A 41 41 ASP CB C 41 42.079 40.797 1.282 1 1 469 . 21 1 1 A 41 41 ASP N N 41 114.850 118.791 -3.941 1 1 470 . 21 1 1 A 42 42 MET H H 42 7.989 7.971 0.018 1 1 471 . 21 1 1 A 42 42 MET HA H 42 4.336 4.443 -0.107 1 1 479 . 21 1 1 A 42 42 MET C C 42 175.440 177.018 -1.578 1 1 480 . 21 1 1 A 42 42 MET CA C 42 56.843 58.260 -1.417 1 1 481 . 21 1 1 A 42 42 MET CB C 42 31.962 32.413 -0.451 1 1 484 . 21 1 1 A 42 42 MET N N 42 118.847 116.396 2.451 1 1 485 . 21 1 1 A 43 43 LYS H H 43 6.901 7.482 -0.581 1 1 486 . 21 1 1 A 43 43 LYS HA H 43 4.265 4.170 0.095 1 1 494 . 21 1 1 A 43 43 LYS C C 43 177.435 177.387 0.048 1 1 495 . 21 1 1 A 43 43 LYS CA C 43 57.664 58.203 -0.539 1 1 496 . 21 1 1 A 43 43 LYS CB C 43 33.329 32.730 0.599 1 1 500 . 21 1 1 A 43 43 LYS N N 43 116.913 119.887 -2.974 1 1 501 . 21 1 1 A 44 44 GLY H H 44 9.268 8.914 0.354 1 1 502 . 21 1 1 A 44 44 GLY HA2 H 44 3.692 3.940 -0.248 1 1 503 . 21 1 1 A 44 44 GLY HA3 H 44 4.596 3.943 0.653 1 1 504 . 21 1 1 A 44 44 GLY C C 44 173.671 173.568 0.103 1 1 505 . 21 1 1 A 44 44 GLY CA C 44 44.813 45.561 -0.748 1 1 506 . 21 1 1 A 44 44 GLY N N 44 111.112 111.752 -0.640 1 1 507 . 21 1 1 A 45 45 LYS H H 45 7.516 7.825 -0.309 1 1 508 . 21 1 1 A 45 45 LYS HA H 45 4.754 4.915 -0.161 1 1 515 . 21 1 1 A 45 45 LYS C C 45 175.214 175.417 -0.203 1 1 516 . 21 1 1 A 45 45 LYS CA C 45 54.820 54.208 0.612 1 1 517 . 21 1 1 A 45 45 LYS CB C 45 36.883 36.541 0.342 1 1 521 . 21 1 1 A 45 45 LYS N N 45 117.944 119.947 -2.003 1 1 522 . 21 1 1 A 46 46 VAL H H 46 8.887 8.657 0.230 1 1 523 . 21 1 1 A 46 46 VAL HA H 46 3.950 4.141 -0.191 1 1 531 . 21 1 1 A 46 46 VAL C C 46 174.876 175.866 -0.990 1 1 532 . 21 1 1 A 46 46 VAL CA C 46 64.773 63.174 1.599 1 1 533 . 21 1 1 A 46 46 VAL CB C 46 31.962 31.210 0.752 1 1 536 . 21 1 1 A 46 46 VAL N N 46 124.776 121.726 3.050 1 1 537 . 21 1 1 A 47 47 THR H H 47 8.956 8.624 0.332 1 1 538 . 21 1 1 A 47 47 THR HA H 47 5.300 4.806 0.494 1 1 543 . 21 1 1 A 47 47 THR C C 47 172.579 174.029 -1.450 1 1 544 . 21 1 1 A 47 47 THR CA C 47 62.312 62.358 -0.046 1 1 545 . 21 1 1 A 47 47 THR CB C 47 73.249 70.460 2.789 1 1 547 . 21 1 1 A 47 47 THR N N 47 124.132 123.153 0.979 1 1 548 . 21 1 1 A 48 48 ILE H H 48 9.160 8.431 0.729 1 1 549 . 21 1 1 A 48 48 ILE HA H 48 4.740 5.146 -0.406 1 1 559 . 21 1 1 A 48 48 ILE C C 48 173.972 175.169 -1.197 1 1 560 . 21 1 1 A 48 48 ILE CA C 48 61.441 60.222 1.219 1 1 561 . 21 1 1 A 48 48 ILE CB C 48 40.438 41.841 -1.403 1 1 565 . 21 1 1 A 48 48 ILE N N 48 128.515 125.333 3.182 1 1 566 . 21 1 1 A 49 49 ILE H H 49 9.507 9.189 0.318 1 1 567 . 21 1 1 A 49 49 ILE HA H 49 4.883 5.214 -0.331 1 1 577 . 21 1 1 A 49 49 ILE C C 49 174.650 175.536 -0.886 1 1 578 . 21 1 1 A 49 49 ILE CA C 49 60.773 60.020 0.753 1 1 579 . 21 1 1 A 49 49 ILE CB C 49 41.532 42.558 -1.026 1 1 583 . 21 1 1 A 49 49 ILE N N 49 126.194 127.290 -1.096 1 1 584 . 21 1 1 A 50 50 SER H H 50 9.079 9.304 -0.225 1 1 585 . 21 1 1 A 50 50 SER HA H 50 5.138 5.707 -0.569 1 1 588 . 21 1 1 A 50 50 SER C C 50 172.692 173.943 -1.251 1 1 589 . 21 1 1 A 50 50 SER CA C 50 56.843 56.146 0.697 1 1 590 . 21 1 1 A 50 50 SER CB C 50 64.773 66.823 -2.050 1 1 591 . 21 1 1 A 50 50 SER N N 50 121.940 120.593 1.347 1 1 592 . 21 1 1 A 51 51 VAL H H 51 9.010 8.883 0.127 1 1 593 . 21 1 1 A 51 51 VAL HA H 51 4.873 4.994 -0.121 1 1 601 . 21 1 1 A 51 51 VAL CA C 51 61.595 61.391 0.204 1 1 602 . 21 1 1 A 51 51 VAL CB C 51 32.509 35.029 -2.520 1 1 605 . 21 1 1 A 51 51 VAL N N 51 128.128 121.083 7.045 1 1 606 . 21 1 1 A 52 52 ILE H H 52 8.182 8.761 -0.579 1 1 607 . 21 1 1 A 52 52 ILE HA H 52 4.862 4.854 0.008 1 1 616 . 21 1 1 A 52 52 ILE CA C 52 58.026 57.246 0.780 1 1 617 . 21 1 1 A 52 52 ILE CB C 52 43.172 40.364 2.808 1 1 621 . 21 1 1 A 52 52 ILE N N 52 124.776 123.219 1.557 1 1 622 . 21 1 1 A 53 53 PRO HA H 53 4.904 4.544 0.360 1 1 629 . 21 1 1 A 53 53 PRO CA C 53 65.560 64.923 0.637 1 1 630 . 21 1 1 A 53 53 PRO CB C 53 31.826 32.364 -0.538 1 1 633 . 21 1 1 A 54 54 SER H H 54 7.214 7.242 -0.028 1 1 634 . 21 1 1 A 54 54 SER HA H 54 5.100 4.774 0.326 1 1 637 . 21 1 1 A 54 54 SER CA C 54 57.417 57.211 0.206 1 1 638 . 21 1 1 A 54 54 SER CB C 54 65.195 65.469 -0.274 1 1 639 . 21 1 1 A 54 54 SER N N 54 107.901 107.321 0.580 1 1 640 . 21 1 1 A 55 55 ILE H H 55 7.330 9.066 -1.736 1 1 641 . 21 1 1 A 55 55 ILE HA H 55 5.075 3.915 1.160 1 1 651 . 21 1 1 A 55 55 ILE CA C 55 61.734 64.688 -2.954 1 1 652 . 21 1 1 A 55 55 ILE CB C 55 36.233 37.443 -1.210 1 1 656 . 21 1 1 A 56 56 ASP H H 56 8.699 8.280 0.419 1 1 657 . 21 1 1 A 56 56 ASP HA H 56 5.075 4.313 0.762 1 1 660 . 21 1 1 A 56 56 ASP CA C 56 54.407 56.538 -2.131 1 1 661 . 21 1 1 A 56 56 ASP CB C 56 42.832 41.214 1.618 1 1 662 . 21 1 1 A 56 56 ASP N N 56 121.940 121.245 0.695 1 1 663 . 21 1 1 A 57 57 THR H H 57 7.294 7.828 -0.534 1 1 664 . 21 1 1 A 57 57 THR HA H 57 4.323 4.243 0.080 1 1 669 . 21 1 1 A 57 57 THR C C 57 175.440 175.961 -0.521 1 1 670 . 21 1 1 A 57 57 THR CA C 57 61.765 63.280 -1.515 1 1 671 . 21 1 1 A 57 57 THR CB C 57 69.421 70.366 -0.945 1 1 673 . 21 1 1 A 57 57 THR N N 57 108.921 108.785 0.136 1 1 674 . 21 1 1 A 58 58 GLY H H 58 8.215 7.586 0.629 1 1 675 . 21 1 1 A 58 58 GLY HA2 H 58 4.012 3.908 0.104 1 1 676 . 21 1 1 A 58 58 GLY HA3 H 58 4.012 3.921 0.091 1 1 677 . 21 1 1 A 58 58 GLY C C 58 173.520 175.378 -1.858 1 1 678 . 21 1 1 A 58 58 GLY CA C 58 45.360 45.367 -0.007 1 1 679 . 21 1 1 A 58 58 GLY N N 58 110.969 109.925 1.044 1 1 680 . 21 1 1 A 59 59 VAL H H 59 7.976 8.082 -0.106 1 1 681 . 21 1 1 A 59 59 VAL HA H 59 4.307 3.745 0.562 1 1 689 . 21 1 1 A 59 59 VAL C C 59 175.854 177.885 -2.031 1 1 690 . 21 1 1 A 59 59 VAL CA C 59 61.765 65.225 -3.460 1 1 691 . 21 1 1 A 59 59 VAL CB C 59 33.329 31.227 2.102 1 1 694 . 21 1 1 A 59 59 VAL N N 59 118.501 118.902 -0.401 1 1 696 . 21 1 1 A 61 61 ASP HA H 61 4.323 4.809 -0.486 1 1 697 . 21 1 1 A 61 61 ASP CA C 61 54.382 55.729 -1.347 1 1 698 . 21 1 1 A 61 61 ASP CB C 61 39.142 41.824 -2.682 1 1 699 . 21 1 1 A 62 62 ALA H H 62 8.663 8.179 0.484 1 1 700 . 21 1 1 A 62 62 ALA HA H 62 3.971 3.941 0.030 1 1 704 . 21 1 1 A 62 62 ALA C C 62 180.485 177.569 2.916 1 1 705 . 21 1 1 A 62 62 ALA CA C 62 55.203 54.155 1.048 1 1 706 . 21 1 1 A 62 62 ALA CB C 62 18.838 18.388 0.450 1 1 707 . 21 1 1 A 63 63 GLN H H 63 8.550 7.637 0.913 1 1 708 . 21 1 1 A 63 63 GLN HA H 63 3.865 4.572 -0.707 1 1 715 . 21 1 1 A 63 63 GLN C C 63 178.527 177.689 0.838 1 1 716 . 21 1 1 A 63 63 GLN CA C 63 59.346 57.138 2.208 1 1 717 . 21 1 1 A 63 63 GLN CB C 63 28.635 31.606 -2.971 1 1 719 . 21 1 1 A 63 63 GLN N N 63 117.429 116.795 0.634 1 1 721 . 21 1 1 A 64 64 THR H H 64 8.121 8.129 -0.008 1 1 722 . 21 1 1 A 64 64 THR HA H 64 3.624 3.870 -0.246 1 1 727 . 21 1 1 A 64 64 THR C C 64 178.527 176.166 2.361 1 1 728 . 21 1 1 A 64 64 THR CA C 64 66.686 67.576 -0.890 1 1 729 . 21 1 1 A 64 64 THR CB C 64 68.600 68.195 0.405 1 1 731 . 21 1 1 A 64 64 THR N N 64 118.460 116.532 1.928 1 1 732 . 21 1 1 A 65 65 ARG H H 65 7.530 8.170 -0.640 1 1 733 . 21 1 1 A 65 65 ARG HA H 65 3.904 3.888 0.016 1 1 739 . 21 1 1 A 65 65 ARG CA C 65 59.507 59.197 0.310 1 1 740 . 21 1 1 A 65 65 ARG CB C 65 29.637 29.527 0.110 1 1 743 . 21 1 1 A 66 66 ARG H H 66 7.972 7.771 0.201 1 1 744 . 21 1 1 A 66 66 ARG HA H 66 4.056 3.942 0.114 1 1 751 . 21 1 1 A 66 66 ARG C C 66 177.624 178.215 -0.591 1 1 752 . 21 1 1 A 66 66 ARG CA C 66 59.031 58.337 0.694 1 1 753 . 21 1 1 A 66 66 ARG CB C 66 29.228 29.721 -0.493 1 1 756 . 21 1 1 A 66 66 ARG N N 66 118.460 119.253 -0.793 1 1 757 . 21 1 1 A 67 67 PHE H H 67 7.673 8.230 -0.557 1 1 758 . 21 1 1 A 67 67 PHE HA H 67 4.260 4.085 0.175 1 1 763 . 21 1 1 A 67 67 PHE C C 67 176.043 177.072 -1.029 1 1 764 . 21 1 1 A 67 67 PHE CA C 67 60.945 60.871 0.074 1 1 765 . 21 1 1 A 67 67 PHE CB C 67 39.071 39.039 0.032 1 1 766 . 21 1 1 A 67 67 PHE N N 67 119.362 120.586 -1.224 1 1 767 . 21 1 1 A 68 68 ASN H H 68 7.688 8.487 -0.799 1 1 768 . 21 1 1 A 68 68 ASN HA H 68 4.150 3.892 0.258 1 1 771 . 21 1 1 A 68 68 ASN C C 68 177.172 177.911 -0.739 1 1 772 . 21 1 1 A 68 68 ASN CA C 68 55.750 56.143 -0.393 1 1 773 . 21 1 1 A 68 68 ASN CB C 68 37.977 37.672 0.305 1 1 774 . 21 1 1 A 68 68 ASN N N 68 117.042 117.494 -0.452 1 1 775 . 21 1 1 A 69 69 GLU H H 69 8.185 8.208 -0.023 1 1 776 . 21 1 1 A 69 69 GLU HA H 69 3.848 4.006 -0.158 1 1 781 . 21 1 1 A 69 69 GLU C C 69 179.468 178.803 0.665 1 1 782 . 21 1 1 A 69 69 GLU CA C 69 59.577 59.162 0.415 1 1 783 . 21 1 1 A 69 69 GLU CB C 69 30.321 29.176 1.145 1 1 785 . 21 1 1 A 69 69 GLU N N 69 118.975 119.494 -0.519 1 1 786 . 21 1 1 A 70 70 GLU H H 70 8.671 7.555 1.116 1 1 787 . 21 1 1 A 70 70 GLU HA H 70 3.807 3.956 -0.149 1 1 792 . 21 1 1 A 70 70 GLU C C 70 179.468 178.756 0.712 1 1 793 . 21 1 1 A 70 70 GLU CA C 70 58.757 58.943 -0.186 1 1 794 . 21 1 1 A 70 70 GLU CB C 70 29.501 29.857 -0.356 1 1 796 . 21 1 1 A 70 70 GLU N N 70 118.975 119.437 -0.462 1 1 797 . 21 1 1 A 71 71 ALA H H 71 8.418 8.340 0.078 1 1 798 . 21 1 1 A 71 71 ALA HA H 71 3.616 3.956 -0.340 1 1 802 . 21 1 1 A 71 71 ALA C C 71 178.226 180.200 -1.974 1 1 803 . 21 1 1 A 71 71 ALA CA C 71 54.656 54.825 -0.169 1 1 804 . 21 1 1 A 71 71 ALA CB C 71 18.017 17.464 0.553 1 1 805 . 21 1 1 A 71 71 ALA N N 71 122.069 123.077 -1.008 1 1 806 . 21 1 1 A 72 72 ALA H H 72 7.520 8.224 -0.704 1 1 807 . 21 1 1 A 72 72 ALA HA H 72 3.842 3.980 -0.138 1 1 811 . 21 1 1 A 72 72 ALA C C 72 179.280 177.955 1.325 1 1 812 . 21 1 1 A 72 72 ALA CA C 72 54.109 54.102 0.007 1 1 813 . 21 1 1 A 72 72 ALA CB C 72 18.564 18.192 0.372 1 1 814 . 21 1 1 A 72 72 ALA N N 72 116.139 119.318 -3.179 1 1 815 . 21 1 1 A 73 73 LYS H H 73 7.302 7.813 -0.511 1 1 816 . 21 1 1 A 73 73 LYS HA H 73 4.129 4.501 -0.372 1 1 825 . 21 1 1 A 73 73 LYS C C 73 177.661 177.506 0.155 1 1 826 . 21 1 1 A 73 73 LYS CA C 73 57.116 56.367 0.749 1 1 827 . 21 1 1 A 73 73 LYS CB C 73 32.782 32.936 -0.154 1 1 831 . 21 1 1 A 73 73 LYS N N 73 114.850 114.688 0.162 1 1 832 . 21 1 1 A 74 74 LEU H H 74 7.398 7.756 -0.358 1 1 833 . 21 1 1 A 74 74 LEU HA H 74 3.983 4.037 -0.054 1 1 843 . 21 1 1 A 74 74 LEU C C 74 177.021 176.863 0.158 1 1 844 . 21 1 1 A 74 74 LEU CA C 74 56.843 56.903 -0.060 1 1 845 . 21 1 1 A 74 74 LEU CB C 74 42.625 42.681 -0.056 1 1 849 . 21 1 1 A 74 74 LEU N N 74 118.460 119.432 -0.972 1 1 850 . 21 1 1 A 75 75 GLY H H 75 7.174 7.255 -0.081 1 1 851 . 21 1 1 A 75 75 GLY HA2 H 75 4.215 4.073 0.142 1 1 852 . 21 1 1 A 75 75 GLY HA3 H 75 3.630 4.076 -0.446 1 1 853 . 21 1 1 A 75 75 GLY C C 75 172.805 173.378 -0.573 1 1 854 . 21 1 1 A 75 75 GLY CA C 75 45.360 45.665 -0.305 1 1 855 . 21 1 1 A 75 75 GLY N N 75 102.991 104.418 -1.427 1 1 856 . 21 1 1 A 76 76 ASP H H 76 8.825 8.558 0.267 1 1 857 . 21 1 1 A 76 76 ASP HA H 76 4.766 4.710 0.056 1 1 860 . 21 1 1 A 76 76 ASP C C 76 173.749 175.478 -1.729 1 1 861 . 21 1 1 A 76 76 ASP CA C 76 53.708 53.801 -0.093 1 1 862 . 21 1 1 A 76 76 ASP CB C 76 39.071 40.332 -1.261 1 1 863 . 21 1 1 A 76 76 ASP N N 76 126.839 121.617 5.222 1 1 864 . 21 1 1 A 77 77 VAL H H 77 7.511 7.434 0.077 1 1 865 . 21 1 1 A 77 77 VAL HA H 77 4.772 4.176 0.596 1 1 873 . 21 1 1 A 77 77 VAL C C 77 175.629 175.700 -0.071 1 1 874 . 21 1 1 A 77 77 VAL CA C 77 58.959 62.115 -3.156 1 1 875 . 21 1 1 A 77 77 VAL CB C 77 34.970 32.626 2.344 1 1 878 . 21 1 1 A 77 77 VAL N N 77 115.615 117.633 -2.018 1 1 879 . 21 1 1 A 78 78 ASN H H 78 8.822 8.316 0.506 1 1 880 . 21 1 1 A 78 78 ASN HA H 78 4.820 4.838 -0.018 1 1 885 . 21 1 1 A 78 78 ASN C C 78 174.047 174.695 -0.648 1 1 886 . 21 1 1 A 78 78 ASN CA C 78 52.085 52.234 -0.149 1 1 887 . 21 1 1 A 78 78 ASN CB C 78 40.438 39.503 0.935 1 1 888 . 21 1 1 A 78 78 ASN N N 78 120.393 121.256 -0.863 1 1 890 . 21 1 1 A 79 79 VAL H H 79 8.044 8.345 -0.301 1 1 891 . 21 1 1 A 79 79 VAL HA H 79 4.669 4.953 -0.284 1 1 899 . 21 1 1 A 79 79 VAL C C 79 174.123 173.666 0.457 1 1 900 . 21 1 1 A 79 79 VAL CA C 79 61.491 59.813 1.678 1 1 901 . 21 1 1 A 79 79 VAL CB C 79 33.329 35.165 -1.836 1 1 904 . 21 1 1 A 79 79 VAL N N 79 122.456 115.119 7.337 1 1 905 . 21 1 1 A 80 80 TYR H H 80 8.944 8.748 0.196 1 1 906 . 21 1 1 A 80 80 TYR HA H 80 6.170 5.334 0.836 1 1 911 . 21 1 1 A 80 80 TYR C C 80 177.210 175.361 1.849 1 1 912 . 21 1 1 A 80 80 TYR CA C 80 54.929 55.960 -1.031 1 1 913 . 21 1 1 A 80 80 TYR CB C 80 42.899 43.097 -0.198 1 1 914 . 21 1 1 A 80 80 TYR N N 80 123.229 123.878 -0.649 1 1 915 . 21 1 1 A 81 81 THR H H 81 8.465 8.687 -0.222 1 1 916 . 21 1 1 A 81 81 THR HA H 81 5.652 5.284 0.368 1 1 921 . 21 1 1 A 81 81 THR C C 81 172.880 173.532 -0.652 1 1 922 . 21 1 1 A 81 81 THR CA C 81 62.038 61.669 0.369 1 1 923 . 21 1 1 A 81 81 THR CB C 81 71.608 71.334 0.274 1 1 925 . 21 1 1 A 81 81 THR N N 81 119.491 115.654 3.837 1 1 926 . 21 1 1 A 82 82 ILE H H 82 8.958 9.422 -0.464 1 1 927 . 21 1 1 A 82 82 ILE HA H 82 5.145 4.367 0.778 1 1 937 . 21 1 1 A 82 82 ILE C C 82 174.123 174.833 -0.710 1 1 938 . 21 1 1 A 82 82 ILE CA C 82 59.847 61.032 -1.185 1 1 939 . 21 1 1 A 82 82 ILE CB C 82 39.618 38.352 1.266 1 1 943 . 21 1 1 A 82 82 ILE N N 82 125.550 128.707 -3.157 1 1 944 . 21 1 1 A 83 83 SER H H 83 7.731 8.583 -0.852 1 1 945 . 21 1 1 A 83 83 SER HA H 83 4.909 5.573 -0.664 1 1 948 . 21 1 1 A 83 83 SER C C 83 173.182 173.344 -0.162 1 1 949 . 21 1 1 A 83 83 SER CA C 83 57.034 57.678 -0.644 1 1 950 . 21 1 1 A 83 83 SER CB C 83 68.054 66.640 1.414 1 1 951 . 21 1 1 A 83 83 SER N N 83 117.171 119.686 -2.515 1 1 952 . 21 1 1 A 84 84 ALA H H 84 9.548 8.025 1.523 1 1 953 . 21 1 1 A 84 84 ALA HA H 84 4.177 4.743 -0.566 1 1 957 . 21 1 1 A 84 84 ALA C C 84 175.290 177.759 -2.469 1 1 958 . 21 1 1 A 84 84 ALA CA C 84 51.922 49.769 2.153 1 1 959 . 21 1 1 A 84 84 ALA CB C 84 19.111 21.102 -1.991 1 1 960 . 21 1 1 A 84 84 ALA N N 84 120.651 125.001 -4.350 1 1 961 . 21 1 1 A 85 85 ASP H H 85 7.739 8.814 -1.075 1 1 962 . 21 1 1 A 85 85 ASP HA H 85 4.380 3.551 0.829 1 1 965 . 21 1 1 A 85 85 ASP C C 85 175.591 175.960 -0.369 1 1 966 . 21 1 1 A 85 85 ASP CA C 85 55.136 56.340 -1.204 1 1 967 . 21 1 1 A 85 85 ASP CB C 85 43.011 40.658 2.353 1 1 968 . 21 1 1 A 85 85 ASP N N 85 114.721 117.896 -3.175 1 1 969 . 21 1 1 A 86 86 LEU H H 86 8.475 7.260 1.215 1 1 970 . 21 1 1 A 86 86 LEU HA H 86 3.956 4.398 -0.442 1 1 980 . 21 1 1 A 86 86 LEU CA C 86 54.656 53.368 1.288 1 1 981 . 21 1 1 A 86 86 LEU CB C 86 39.380 41.344 -1.964 1 1 985 . 21 1 1 A 87 87 PRO HA H 87 4.225 4.070 0.155 1 1 992 . 21 1 1 A 87 87 PRO CA C 87 65.046 64.835 0.211 1 1 993 . 21 1 1 A 87 87 PRO CB C 87 32.264 31.166 1.098 1 1 996 . 21 1 1 A 88 88 PHE H H 88 5.565 7.468 -1.903 1 1 997 . 21 1 1 A 88 88 PHE HA H 88 4.340 4.736 -0.396 1 1 1000 . 21 1 1 A 88 88 PHE CA C 88 57.664 57.670 -0.006 1 1 1001 . 21 1 1 A 88 88 PHE CB C 88 39.344 38.233 1.111 1 1 1002 . 21 1 1 A 88 88 PHE N N 88 110.725 115.797 -5.072 1 1 1003 . 21 1 1 A 89 89 ALA H H 89 7.381 7.469 -0.088 1 1 1004 . 21 1 1 A 89 89 ALA HA H 89 4.239 4.422 -0.183 1 1 1008 . 21 1 1 A 89 89 ALA CA C 89 52.009 51.937 0.072 1 1 1009 . 21 1 1 A 89 89 ALA CB C 89 19.761 20.661 -0.900 1 1 1010 . 21 1 1 A 89 89 ALA N N 89 114.850 123.488 -8.638 1 1 1011 . 21 1 1 A 90 90 GLN H H 90 7.231 8.634 -1.403 1 1 1012 . 21 1 1 A 90 90 GLN HA H 90 3.695 4.657 -0.962 1 1 1018 . 21 1 1 A 90 90 GLN CA C 90 59.578 56.745 2.833 1 1 1019 . 21 1 1 A 90 90 GLN CB C 90 28.728 29.742 -1.014 1 1 1022 . 21 1 1 A 91 91 ALA H H 91 7.741 8.648 -0.907 1 1 1023 . 21 1 1 A 91 91 ALA HA H 91 4.202 4.564 -0.362 1 1 1027 . 21 1 1 A 91 91 ALA CA C 91 54.382 51.100 3.282 1 1 1028 . 21 1 1 A 91 91 ALA CB C 91 18.837 19.077 -0.240 1 1 1029 . 21 1 1 A 91 91 ALA N N 91 118.589 122.417 -3.828 1 1 1030 . 21 1 1 A 92 92 ARG H H 92 7.354 8.105 -0.751 1 1 1031 . 21 1 1 A 92 92 ARG HA H 92 4.588 3.819 0.769 1 1 1038 . 21 1 1 A 92 92 ARG CA C 92 55.476 56.788 -1.312 1 1 1039 . 21 1 1 A 92 92 ARG CB C 92 30.048 27.185 2.863 1 1 1042 . 21 1 1 A 93 93 TRP H H 93 7.767 8.055 -0.288 1 1 1043 . 21 1 1 A 93 93 TRP HA H 93 4.881 4.827 0.054 1 1 1050 . 21 1 1 A 93 93 TRP CA C 93 57.534 57.117 0.417 1 1 1051 . 21 1 1 A 93 93 TRP CB C 93 29.501 30.645 -1.144 1 1 1052 . 21 1 1 A 93 93 TRP N N 93 121.927 118.630 3.297 1 1 1054 . 21 1 1 A 94 94 CYS HA H 94 3.901 4.388 -0.487 1 1 1057 . 21 1 1 A 94 94 CYS CA C 94 59.577 57.837 1.740 1 1 1058 . 21 1 1 A 94 94 CYS CB C 94 43.446 41.355 2.091 1 1 1059 . 21 1 1 A 95 95 GLY HA2 H 95 5.122 3.996 1.126 1 1 1060 . 21 1 1 A 95 95 GLY HA3 H 95 3.691 4.003 -0.312 1 1 1061 . 21 1 1 A 95 95 GLY CA C 95 45.511 45.327 0.184 1 1 1062 . 21 1 1 A 96 96 ALA H H 96 7.504 7.947 -0.443 1 1 1063 . 21 1 1 A 96 96 ALA HA H 96 4.412 4.162 0.250 1 1 1067 . 21 1 1 A 96 96 ALA CA C 96 51.699 53.141 -1.442 1 1 1068 . 21 1 1 A 96 96 ALA CB C 96 21.025 18.049 2.976 1 1 1069 . 21 1 1 A 96 96 ALA N N 96 121.579 123.243 -1.664 1 1 1070 . 21 1 1 A 97 97 ASN H H 97 7.345 8.514 -1.169 1 1 1071 . 21 1 1 A 97 97 ASN HA H 97 4.551 4.940 -0.389 1 1 1076 . 21 1 1 A 97 97 ASN CA C 97 54.929 52.660 2.269 1 1 1077 . 21 1 1 A 97 97 ASN CB C 97 39.071 39.814 -0.743 1 1 1079 . 21 1 1 A 98 98 GLY H H 98 8.890 8.003 0.887 1 1 1080 . 21 1 1 A 98 98 GLY HA2 H 98 3.796 4.085 -0.289 1 1 1081 . 21 1 1 A 98 98 GLY HA3 H 98 4.070 4.087 -0.017 1 1 1082 . 21 1 1 A 98 98 GLY C C 98 174.160 174.240 -0.080 1 1 1083 . 21 1 1 A 98 98 GLY CA C 98 45.841 45.433 0.408 1 1 1084 . 21 1 1 A 99 99 ILE H H 99 7.739 7.447 0.292 1 1 1085 . 21 1 1 A 99 99 ILE HA H 99 4.198 4.483 -0.285 1 1 1095 . 21 1 1 A 99 99 ILE C C 99 175.561 175.390 0.171 1 1 1096 . 21 1 1 A 99 99 ILE CA C 99 60.671 59.499 1.172 1 1 1097 . 21 1 1 A 99 99 ILE CB C 99 38.524 38.905 -0.381 1 1 1101 . 21 1 1 A 99 99 ILE N N 99 120.780 116.420 4.360 1 1 1102 . 21 1 1 A 100 100 ASP H H 100 8.372 8.788 -0.416 1 1 1103 . 21 1 1 A 100 100 ASP HA H 100 4.426 4.243 0.183 1 1 1106 . 21 1 1 A 100 100 ASP C C 100 176.325 177.719 -1.394 1 1 1107 . 21 1 1 A 100 100 ASP CA C 100 56.023 56.413 -0.390 1 1 1108 . 21 1 1 A 100 100 ASP CB C 100 40.985 40.824 0.161 1 1 1109 . 21 1 1 A 100 100 ASP N N 100 126.194 126.142 0.052 1 1 1110 . 21 1 1 A 101 101 LYS H H 101 8.081 7.856 0.225 1 1 1111 . 21 1 1 A 101 101 LYS HA H 101 4.052 4.183 -0.131 1 1 1120 . 21 1 1 A 101 101 LYS C C 101 175.874 177.547 -1.673 1 1 1121 . 21 1 1 A 101 101 LYS CA C 101 58.210 58.268 -0.058 1 1 1122 . 21 1 1 A 101 101 LYS CB C 101 31.689 32.192 -0.503 1 1 1126 . 21 1 1 A 101 101 LYS N N 101 115.366 116.887 -1.521 1 1 1127 . 21 1 1 A 102 102 VAL H H 102 7.631 7.591 0.040 1 1 1128 . 21 1 1 A 102 102 VAL HA H 102 4.419 4.061 0.358 1 1 1136 . 21 1 1 A 102 102 VAL C C 102 175.145 175.736 -0.591 1 1 1137 . 21 1 1 A 102 102 VAL CA C 102 61.919 63.048 -1.129 1 1 1138 . 21 1 1 A 102 102 VAL CB C 102 32.782 32.210 0.572 1 1 1141 . 21 1 1 A 102 102 VAL N N 102 119.362 119.954 -0.592 1 1 1142 . 21 1 1 A 103 103 GLU H H 103 8.489 8.326 0.163 1 1 1143 . 21 1 1 A 103 103 GLU HA H 103 4.931 4.961 -0.030 1 1 1148 . 21 1 1 A 103 103 GLU C C 103 175.943 175.537 0.406 1 1 1149 . 21 1 1 A 103 103 GLU CA C 103 55.140 54.757 0.383 1 1 1150 . 21 1 1 A 103 103 GLU CB C 103 33.329 33.684 -0.355 1 1 1152 . 21 1 1 A 103 103 GLU N N 103 126.581 125.870 0.711 1 1 1153 . 21 1 1 A 104 104 THR H H 104 8.690 8.586 0.104 1 1 1154 . 21 1 1 A 104 104 THR HA H 104 5.292 5.115 0.177 1 1 1159 . 21 1 1 A 104 104 THR C C 104 173.165 174.247 -1.082 1 1 1160 . 21 1 1 A 104 104 THR CA C 104 58.757 60.966 -2.209 1 1 1161 . 21 1 1 A 104 104 THR CB C 104 69.967 70.133 -0.166 1 1 1163 . 21 1 1 A 104 104 THR N N 104 114.979 116.338 -1.359 1 1 1164 . 21 1 1 A 105 105 LEU H H 105 8.635 9.241 -0.606 1 1 1165 . 21 1 1 A 105 105 LEU HA H 105 4.979 5.072 -0.093 1 1 1175 . 21 1 1 A 105 105 LEU C C 105 176.985 175.742 1.243 1 1 1176 . 21 1 1 A 105 105 LEU CA C 105 52.849 53.261 -0.412 1 1 1177 . 21 1 1 A 105 105 LEU CB C 105 45.633 46.242 -0.609 1 1 1181 . 21 1 1 A 105 105 LEU N N 105 119.233 126.484 -7.251 1 1 1182 . 21 1 1 A 106 106 SER H H 106 9.670 8.793 0.877 1 1 1183 . 21 1 1 A 106 106 SER HA H 106 5.485 5.259 0.226 1 1 1186 . 21 1 1 A 106 106 SER C C 106 176.256 173.663 2.593 1 1 1187 . 21 1 1 A 106 106 SER CA C 106 56.570 57.375 -0.805 1 1 1188 . 21 1 1 A 106 106 SER CB C 106 65.593 66.272 -0.679 1 1 1189 . 21 1 1 A 106 106 SER N N 106 114.979 116.596 -1.617 1 1 1190 . 21 1 1 A 107 107 ASP H H 107 8.764 8.400 0.364 1 1 1191 . 21 1 1 A 107 107 ASP HA H 107 5.517 4.750 0.767 1 1 1194 . 21 1 1 A 107 107 ASP CA C 107 52.753 54.081 -1.328 1 1 1195 . 21 1 1 A 107 107 ASP CB C 107 45.086 43.350 1.736 1 1 1196 . 21 1 1 A 107 107 ASP N N 107 132.898 124.101 8.797 1 1 1197 . 21 1 1 A 108 108 HIS H H 108 7.940 8.300 -0.360 1 1 1198 . 21 1 1 A 108 108 HIS HA H 108 4.075 4.293 -0.218 1 1 1200 . 21 1 1 A 108 108 HIS CA C 108 59.577 58.898 0.679 1 1 1201 . 21 1 1 A 108 108 HIS CB C 108 29.861 28.561 1.300 1 1 1202 . 21 1 1 A 108 108 HIS N N 108 116.397 116.810 -0.413 1 1 1203 . 21 1 1 A 109 109 ARG HA H 109 4.214 3.900 0.314 1 1 1206 . 21 1 1 A 109 109 ARG CA C 109 59.031 58.037 0.994 1 1 1207 . 21 1 1 A 109 109 ARG CB C 109 27.861 30.005 -2.144 1 1 1208 . 21 1 1 A 110 110 ASP HA H 110 4.867 4.880 -0.013 1 1 1211 . 21 1 1 A 110 110 ASP C C 110 175.735 176.037 -0.302 1 1 1212 . 21 1 1 A 110 110 ASP CA C 110 53.708 54.333 -0.625 1 1 1213 . 21 1 1 A 110 110 ASP CB C 110 43.875 43.355 0.520 1 1 1214 . 21 1 1 A 111 111 MET H H 111 7.899 8.597 -0.698 1 1 1215 . 21 1 1 A 111 111 MET HA H 111 4.503 4.411 0.092 1 1 1221 . 21 1 1 A 111 111 MET C C 111 177.332 175.778 1.554 1 1 1222 . 21 1 1 A 111 111 MET CA C 111 56.570 57.261 -0.691 1 1 1223 . 21 1 1 A 111 111 MET CB C 111 30.868 30.863 0.005 1 1 1226 . 21 1 1 A 111 111 MET N N 111 116.397 117.131 -0.734 1 1 1227 . 21 1 1 A 112 112 SER H H 112 7.931 8.125 -0.194 1 1 1228 . 21 1 1 A 112 112 SER HA H 112 4.248 4.181 0.067 1 1 1231 . 21 1 1 A 112 112 SER C C 112 179.173 176.061 3.112 1 1 1232 . 21 1 1 A 112 112 SER CA C 112 60.945 62.489 -1.544 1 1 1233 . 21 1 1 A 112 112 SER CB C 112 64.499 63.236 1.263 1 1 1234 . 21 1 1 A 112 112 SER N N 112 113.561 114.874 -1.313 1 1 1235 . 21 1 1 A 113 113 PHE H H 113 10.125 8.166 1.959 1 1 1236 . 21 1 1 A 113 113 PHE HA H 113 3.593 3.964 -0.371 1 1 1241 . 21 1 1 A 113 113 PHE C C 113 177.437 177.759 -0.322 1 1 1242 . 21 1 1 A 113 113 PHE CA C 113 62.312 61.248 1.064 1 1 1243 . 21 1 1 A 113 113 PHE CB C 113 37.704 38.495 -0.791 1 1 1244 . 21 1 1 A 113 113 PHE N N 113 125.550 122.754 2.796 1 1 1245 . 21 1 1 A 114 114 GLY H H 114 10.707 8.952 1.755 1 1 1246 . 21 1 1 A 114 114 GLY HA2 H 114 3.396 3.568 -0.172 1 1 1247 . 21 1 1 A 114 114 GLY HA3 H 114 3.218 3.688 -0.470 1 1 1248 . 21 1 1 A 114 114 GLY C C 114 175.735 175.860 -0.125 1 1 1249 . 21 1 1 A 114 114 GLY CA C 114 48.641 47.278 1.363 1 1 1250 . 21 1 1 A 114 114 GLY N N 114 109.178 106.002 3.176 1 1 1251 . 21 1 1 A 115 115 GLU H H 115 8.251 8.593 -0.342 1 1 1252 . 21 1 1 A 115 115 GLU HA H 115 4.431 4.186 0.245 1 1 1257 . 21 1 1 A 115 115 GLU C C 115 178.756 178.321 0.435 1 1 1258 . 21 1 1 A 115 115 GLU CA C 115 59.031 59.175 -0.144 1 1 1259 . 21 1 1 A 115 115 GLU CB C 115 29.775 29.716 0.059 1 1 1261 . 21 1 1 A 115 115 GLU N N 115 120.522 121.699 -1.177 1 1 1262 . 21 1 1 A 116 116 ALA H H 116 7.895 8.381 -0.486 1 1 1263 . 21 1 1 A 116 116 ALA HA H 116 4.111 4.221 -0.110 1 1 1267 . 21 1 1 A 116 116 ALA C C 116 177.610 179.249 -1.639 1 1 1268 . 21 1 1 A 116 116 ALA CA C 116 55.476 55.062 0.414 1 1 1269 . 21 1 1 A 116 116 ALA CB C 116 18.838 18.569 0.269 1 1 1270 . 21 1 1 A 116 116 ALA N N 116 123.100 122.414 0.686 1 1 1271 . 21 1 1 A 117 117 PHE H H 117 8.161 7.769 0.392 1 1 1272 . 21 1 1 A 117 117 PHE HA H 117 4.262 4.525 -0.263 1 1 1277 . 21 1 1 A 117 117 PHE C C 117 175.353 175.521 -0.168 1 1 1278 . 21 1 1 A 117 117 PHE CA C 117 56.843 57.486 -0.643 1 1 1279 . 21 1 1 A 117 117 PHE CB C 117 38.251 38.578 -0.327 1 1 1280 . 21 1 1 A 117 117 PHE N N 117 113.432 112.852 0.580 1 1 1281 . 21 1 1 A 118 118 GLY H H 118 7.685 7.708 -0.023 1 1 1282 . 21 1 1 A 118 118 GLY HA2 H 118 3.544 3.942 -0.398 1 1 1283 . 21 1 1 A 118 118 GLY HA3 H 118 4.362 3.952 0.410 1 1 1284 . 21 1 1 A 118 118 GLY C C 118 174.901 175.415 -0.514 1 1 1285 . 21 1 1 A 118 118 GLY CA C 118 47.274 46.777 0.497 1 1 1286 . 21 1 1 A 118 118 GLY N N 118 112.143 108.315 3.828 1 1 1287 . 21 1 1 A 119 119 VAL H H 119 8.380 8.058 0.322 1 1 1288 . 21 1 1 A 119 119 VAL HA H 119 4.788 4.649 0.139 1 1 1296 . 21 1 1 A 119 119 VAL C C 119 174.901 175.643 -0.742 1 1 1297 . 21 1 1 A 119 119 VAL CA C 119 59.532 61.345 -1.813 1 1 1298 . 21 1 1 A 119 119 VAL CB C 119 32.509 32.582 -0.073 1 1 1301 . 21 1 1 A 119 119 VAL N N 119 102.475 117.237 -14.762 1 1 1302 . 21 1 1 A 120 120 TYR H H 120 6.841 7.691 -0.850 1 1 1303 . 21 1 1 A 120 120 TYR HA H 120 4.484 4.644 -0.160 1 1 1308 . 21 1 1 A 120 120 TYR C C 120 173.443 175.248 -1.805 1 1 1309 . 21 1 1 A 120 120 TYR CA C 120 54.929 57.276 -2.347 1 1 1310 . 21 1 1 A 120 120 TYR CB C 120 37.704 38.567 -0.863 1 1 1311 . 21 1 1 A 120 120 TYR N N 120 124.518 124.595 -0.077 1 1 1312 . 21 1 1 A 121 121 ILE H H 121 9.244 9.102 0.142 1 1 1313 . 21 1 1 A 121 121 ILE HA H 121 4.419 4.053 0.366 1 1 1323 . 21 1 1 A 121 121 ILE C C 121 176.221 176.902 -0.681 1 1 1324 . 21 1 1 A 121 121 ILE CA C 121 62.014 62.196 -0.182 1 1 1325 . 21 1 1 A 121 121 ILE CB C 121 37.704 36.890 0.814 1 1 1329 . 21 1 1 A 121 121 ILE N N 121 128.772 128.998 -0.226 1 1 1330 . 21 1 1 A 122 122 LYS H H 122 9.328 8.856 0.472 1 1 1331 . 21 1 1 A 122 122 LYS HA H 122 3.588 3.598 -0.010 1 1 1340 . 21 1 1 A 122 122 LYS C C 122 179.069 177.908 1.161 1 1 1341 . 21 1 1 A 122 122 LYS CA C 122 60.124 59.633 0.491 1 1 1342 . 21 1 1 A 122 122 LYS CB C 122 33.329 32.219 1.110 1 1 1346 . 21 1 1 A 122 122 LYS N N 122 134.955 130.286 4.669 1 1 1347 . 21 1 1 A 123 123 GLU H H 123 10.228 7.763 2.465 1 1 1348 . 21 1 1 A 123 123 GLU HA H 123 3.919 4.270 -0.351 1 1 1353 . 21 1 1 A 123 123 GLU C C 123 176.638 176.689 -0.051 1 1 1354 . 21 1 1 A 123 123 GLU CA C 123 61.218 57.164 4.054 1 1 1355 . 21 1 1 A 123 123 GLU CB C 123 29.228 29.790 -0.562 1 1 1357 . 21 1 1 A 123 123 GLU N N 123 115.624 117.121 -1.497 1 1 1358 . 21 1 1 A 124 124 LEU H H 124 6.480 7.550 -1.070 1 1 1359 . 21 1 1 A 124 124 LEU HA H 124 4.464 4.553 -0.089 1 1 1369 . 21 1 1 A 124 124 LEU C C 124 175.403 176.512 -1.109 1 1 1370 . 21 1 1 A 124 124 LEU CA C 124 53.562 54.751 -1.189 1 1 1371 . 21 1 1 A 124 124 LEU CB C 124 44.813 44.737 0.076 1 1 1375 . 21 1 1 A 124 124 LEU N N 124 110.434 120.595 -10.161 1 1 1376 . 21 1 1 A 125 125 ARG H H 125 8.701 8.428 0.273 1 1 1377 . 21 1 1 A 125 125 ARG HA H 125 3.783 4.152 -0.369 1 1 1380 . 21 1 1 A 125 125 ARG C C 125 173.029 174.641 -1.612 1 1 1381 . 21 1 1 A 125 125 ARG CA C 125 57.664 57.207 0.457 1 1 1382 . 21 1 1 A 125 125 ARG CB C 125 30.965 28.984 1.981 1 1 1383 . 21 1 1 A 125 125 ARG N N 125 121.940 119.280 2.660 1 1 1384 . 21 1 1 A 126 126 LEU H H 126 6.671 7.570 -0.899 1 1 1385 . 21 1 1 A 126 126 LEU HA H 126 4.621 4.855 -0.234 1 1 1395 . 21 1 1 A 126 126 LEU C C 126 174.203 175.891 -1.688 1 1 1396 . 21 1 1 A 126 126 LEU CA C 126 51.922 53.275 -1.353 1 1 1397 . 21 1 1 A 126 126 LEU CB C 126 46.727 44.532 2.195 1 1 1401 . 21 1 1 A 126 126 LEU N N 126 111.885 119.238 -7.353 1 1 1402 . 21 1 1 A 127 127 LEU H H 127 8.447 8.659 -0.212 1 1 1403 . 21 1 1 A 127 127 LEU HA H 127 5.153 4.610 0.543 1 1 1413 . 21 1 1 A 127 127 LEU C C 127 175.145 176.996 -1.851 1 1 1414 . 21 1 1 A 127 127 LEU CA C 127 52.742 54.599 -1.857 1 1 1415 . 21 1 1 A 127 127 LEU CB C 127 43.172 42.431 0.741 1 1 1419 . 21 1 1 A 127 127 LEU N N 127 118.983 121.849 -2.866 1 1 1420 . 21 1 1 A 128 128 ALA H H 128 9.160 8.908 0.252 1 1 1421 . 21 1 1 A 128 128 ALA HA H 128 3.843 4.470 -0.627 1 1 1425 . 21 1 1 A 128 128 ALA C C 128 176.603 177.092 -0.489 1 1 1426 . 21 1 1 A 128 128 ALA CA C 128 52.469 52.297 0.172 1 1 1427 . 21 1 1 A 128 128 ALA CB C 128 18.291 19.442 -1.151 1 1 1428 . 21 1 1 A 128 128 ALA N N 128 121.682 127.198 -5.516 1 1 1429 . 21 1 1 A 129 129 ARG H H 129 6.254 8.650 -2.396 1 1 1430 . 21 1 1 A 129 129 ARG HA H 129 4.700 4.466 0.234 1 1 1436 . 21 1 1 A 129 129 ARG C C 129 176.534 175.519 1.015 1 1 1437 . 21 1 1 A 129 129 ARG CA C 129 55.651 57.203 -1.552 1 1 1438 . 21 1 1 A 129 129 ARG CB C 129 29.775 30.637 -0.862 1 1 1441 . 21 1 1 A 129 129 ARG N N 129 120.393 124.254 -3.861 1 1 1442 . 21 1 1 A 130 130 SER H H 130 8.398 8.506 -0.108 1 1 1443 . 21 1 1 A 130 130 SER HA H 130 4.767 4.932 -0.165 1 1 1446 . 21 1 1 A 130 130 SER C C 130 172.957 172.659 0.298 1 1 1447 . 21 1 1 A 130 130 SER CA C 130 57.658 57.271 0.387 1 1 1448 . 21 1 1 A 130 130 SER CB C 130 63.679 66.274 -2.595 1 1 1449 . 21 1 1 A 130 130 SER N N 130 120.264 118.951 1.313 1 1 1450 . 21 1 1 A 131 131 VAL H H 131 7.838 7.842 -0.004 1 1 1451 . 21 1 1 A 131 131 VAL HA H 131 5.086 5.032 0.054 1 1 1459 . 21 1 1 A 131 131 VAL C C 131 172.853 174.024 -1.171 1 1 1460 . 21 1 1 A 131 131 VAL CA C 131 60.746 59.478 1.268 1 1 1461 . 21 1 1 A 131 131 VAL CB C 131 36.610 35.873 0.737 1 1 1464 . 21 1 1 A 131 131 VAL N N 131 118.460 114.479 3.981 1 1 1465 . 21 1 1 A 132 132 PHE H H 132 9.259 9.482 -0.223 1 1 1466 . 21 1 1 A 132 132 PHE HA H 132 5.583 5.586 -0.003 1 1 1470 . 21 1 1 A 132 132 PHE C C 132 174.797 174.974 -0.177 1 1 1471 . 21 1 1 A 132 132 PHE CA C 132 56.296 56.254 0.042 1 1 1472 . 21 1 1 A 132 132 PHE CB C 132 44.539 43.943 0.596 1 1 1473 . 21 1 1 A 132 132 PHE N N 132 121.682 120.687 0.995 1 1 1474 . 21 1 1 A 133 133 VAL H H 133 8.907 8.737 0.170 1 1 1475 . 21 1 1 A 133 133 VAL HA H 133 5.331 5.158 0.173 1 1 1483 . 21 1 1 A 133 133 VAL C C 133 174.450 175.073 -0.623 1 1 1484 . 21 1 1 A 133 133 VAL CA C 133 61.491 60.554 0.937 1 1 1485 . 21 1 1 A 133 133 VAL CB C 133 34.696 36.035 -1.339 1 1 1488 . 21 1 1 A 133 133 VAL N N 133 119.878 120.280 -0.402 1 1 1489 . 21 1 1 A 134 134 LEU H H 134 9.976 9.145 0.831 1 1 1490 . 21 1 1 A 134 134 LEU HA H 134 5.680 5.237 0.443 1 1 1500 . 21 1 1 A 134 134 LEU C C 134 176.777 175.079 1.698 1 1 1501 . 21 1 1 A 134 134 LEU CA C 134 52.195 53.638 -1.443 1 1 1502 . 21 1 1 A 134 134 LEU CB C 134 44.813 45.817 -1.004 1 1 1506 . 21 1 1 A 134 134 LEU N N 134 129.417 126.507 2.910 1 1 1507 . 21 1 1 A 135 135 ASP H H 135 9.051 9.156 -0.105 1 1 1508 . 21 1 1 A 135 135 ASP HA H 135 4.708 4.680 0.028 1 1 1511 . 21 1 1 A 135 135 ASP C C 135 177.193 177.398 -0.205 1 1 1512 . 21 1 1 A 135 135 ASP CA C 135 52.276 53.975 -1.699 1 1 1513 . 21 1 1 A 135 135 ASP CB C 135 40.711 42.227 -1.516 1 1 1514 . 21 1 1 A 135 135 ASP N N 135 119.362 124.666 -5.304 1 1 1515 . 21 1 1 A 136 136 GLU H H 136 9.970 8.905 1.065 1 1 1516 . 21 1 1 A 136 136 GLU HA H 136 3.953 4.194 -0.241 1 1 1521 . 21 1 1 A 136 136 GLU C C 136 177.055 178.195 -1.140 1 1 1522 . 21 1 1 A 136 136 GLU CA C 136 58.757 59.373 -0.616 1 1 1523 . 21 1 1 A 136 136 GLU CB C 136 28.681 29.373 -0.692 1 1 1525 . 21 1 1 A 136 136 GLU N N 136 116.011 124.001 -7.990 1 1 1526 . 21 1 1 A 137 137 ASN H H 137 8.514 8.463 0.051 1 1 1527 . 21 1 1 A 137 137 ASN HA H 137 5.026 4.797 0.229 1 1 1532 . 21 1 1 A 137 137 ASN C C 137 175.943 175.967 -0.024 1 1 1533 . 21 1 1 A 137 137 ASN CA C 137 52.753 53.289 -0.536 1 1 1534 . 21 1 1 A 137 137 ASN CB C 137 40.164 38.898 1.266 1 1 1535 . 21 1 1 A 137 137 ASN N N 137 117.042 115.906 1.136 1 1 1537 . 21 1 1 A 138 138 GLY H H 138 8.430 8.380 0.050 1 1 1538 . 21 1 1 A 138 138 GLY HA2 H 138 3.690 3.973 -0.283 1 1 1539 . 21 1 1 A 138 138 GLY HA3 H 138 4.213 4.005 0.208 1 1 1540 . 21 1 1 A 138 138 GLY C C 138 172.436 174.421 -1.985 1 1 1541 . 21 1 1 A 138 138 GLY CA C 138 46.180 45.803 0.377 1 1 1542 . 21 1 1 A 138 138 GLY N N 138 109.565 108.979 0.586 1 1 1543 . 21 1 1 A 139 139 LYS H H 139 8.573 7.987 0.586 1 1 1544 . 21 1 1 A 139 139 LYS HA H 139 4.472 4.272 0.200 1 1 1553 . 21 1 1 A 139 139 LYS C C 139 176.742 175.770 0.972 1 1 1554 . 21 1 1 A 139 139 LYS CA C 139 56.195 56.410 -0.215 1 1 1555 . 21 1 1 A 139 139 LYS CB C 139 32.782 32.871 -0.089 1 1 1559 . 21 1 1 A 139 139 LYS N N 139 123.358 122.548 0.810 1 1 1560 . 21 1 1 A 140 140 VAL H H 140 9.102 8.573 0.529 1 1 1561 . 21 1 1 A 140 140 VAL HA H 140 4.293 4.377 -0.084 1 1 1569 . 21 1 1 A 140 140 VAL C C 140 177.124 175.922 1.202 1 1 1570 . 21 1 1 A 140 140 VAL CA C 140 63.952 62.444 1.508 1 1 1571 . 21 1 1 A 140 140 VAL CB C 140 31.142 32.650 -1.508 1 1 1574 . 21 1 1 A 140 140 VAL N N 140 125.292 124.946 0.346 1 1 1575 . 21 1 1 A 141 141 VAL H H 141 9.332 9.513 -0.181 1 1 1576 . 21 1 1 A 141 141 VAL HA H 141 4.670 4.490 0.180 1 1 1584 . 21 1 1 A 141 141 VAL C C 141 175.249 175.506 -0.257 1 1 1585 . 21 1 1 A 141 141 VAL CA C 141 61.491 63.324 -1.833 1 1 1586 . 21 1 1 A 141 141 VAL CB C 141 32.509 33.687 -1.178 1 1 1589 . 21 1 1 A 141 141 VAL N N 141 124.261 124.864 -0.603 1 1 1590 . 21 1 1 A 142 142 TYR H H 142 7.959 7.710 0.249 1 1 1591 . 21 1 1 A 142 142 TYR HA H 142 4.389 4.858 -0.469 1 1 1596 . 21 1 1 A 142 142 TYR C C 142 172.262 173.531 -1.269 1 1 1597 . 21 1 1 A 142 142 TYR CA C 142 58.757 57.959 0.798 1 1 1598 . 21 1 1 A 142 142 TYR CB C 142 41.805 41.695 0.110 1 1 1599 . 21 1 1 A 142 142 TYR N N 142 122.198 121.023 1.175 1 1 1600 . 21 1 1 A 143 143 ALA H H 143 7.642 7.982 -0.340 1 1 1601 . 21 1 1 A 143 143 ALA HA H 143 4.883 5.041 -0.158 1 1 1605 . 21 1 1 A 143 143 ALA C C 143 175.353 175.157 0.196 1 1 1606 . 21 1 1 A 143 143 ALA CA C 143 51.703 51.375 0.328 1 1 1607 . 21 1 1 A 143 143 ALA CB C 143 22.666 23.247 -0.581 1 1 1608 . 21 1 1 A 143 143 ALA N N 143 129.804 129.028 0.776 1 1 1609 . 21 1 1 A 144 144 GLU H H 144 8.292 8.275 0.017 1 1 1610 . 21 1 1 A 144 144 GLU HA H 144 4.297 4.932 -0.635 1 1 1615 . 21 1 1 A 144 144 GLU C C 144 173.860 174.025 -0.165 1 1 1616 . 21 1 1 A 144 144 GLU CA C 144 56.296 55.420 0.876 1 1 1617 . 21 1 1 A 144 144 GLU CB C 144 32.509 33.748 -1.239 1 1 1619 . 21 1 1 A 144 144 GLU N N 144 122.198 121.530 0.668 1 1 1620 . 21 1 1 A 145 145 TYR H H 145 9.006 8.982 0.024 1 1 1621 . 21 1 1 A 145 145 TYR HA H 145 4.125 5.048 -0.923 1 1 1626 . 21 1 1 A 145 145 TYR C C 145 175.164 175.175 -0.011 1 1 1627 . 21 1 1 A 145 145 TYR CA C 145 57.117 56.616 0.501 1 1 1628 . 21 1 1 A 145 145 TYR CB C 145 38.251 39.697 -1.446 1 1 1629 . 21 1 1 A 145 145 TYR N N 145 128.128 124.399 3.729 1 1 1630 . 21 1 1 A 146 146 VAL H H 146 7.441 8.629 -1.188 1 1 1631 . 21 1 1 A 146 146 VAL HA H 146 3.672 4.224 -0.552 1 1 1639 . 21 1 1 A 146 146 VAL C C 146 176.777 176.840 -0.063 1 1 1640 . 21 1 1 A 146 146 VAL CA C 146 64.226 62.304 1.922 1 1 1641 . 21 1 1 A 146 146 VAL CB C 146 30.868 32.809 -1.941 1 1 1644 . 21 1 1 A 146 146 VAL N N 146 125.808 124.515 1.293 1 1 1645 . 21 1 1 A 147 147 SER H H 147 8.359 8.637 -0.278 1 1 1646 . 21 1 1 A 147 147 SER HA H 147 4.007 4.445 -0.438 1 1 1649 . 21 1 1 A 147 147 SER C C 147 172.123 174.553 -2.430 1 1 1650 . 21 1 1 A 147 147 SER CA C 147 63.132 59.884 3.248 1 1 1651 . 21 1 1 A 147 147 SER CB C 147 62.859 63.530 -0.671 1 1 1652 . 21 1 1 A 147 147 SER N N 147 121.425 117.972 3.453 1 1 1653 . 21 1 1 A 148 148 GLU H H 148 7.177 7.875 -0.698 1 1 1654 . 21 1 1 A 148 148 GLU HA H 148 5.055 4.878 0.177 1 1 1659 . 21 1 1 A 148 148 GLU C C 148 176.082 176.334 -0.252 1 1 1660 . 21 1 1 A 148 148 GLU CA C 148 52.563 55.318 -2.755 1 1 1661 . 21 1 1 A 148 148 GLU CB C 148 29.774 32.100 -2.326 1 1 1663 . 21 1 1 A 148 148 GLU N N 148 119.620 120.724 -1.104 1 1 1664 . 21 1 1 A 149 149 ALA H H 149 9.142 9.365 -0.223 1 1 1665 . 21 1 1 A 149 149 ALA HA H 149 4.704 3.959 0.745 1 1 1669 . 21 1 1 A 149 149 ALA C C 149 177.437 178.400 -0.963 1 1 1670 . 21 1 1 A 149 149 ALA CA C 149 54.466 54.893 -0.427 1 1 1671 . 21 1 1 A 149 149 ALA CB C 149 19.111 18.384 0.727 1 1 1672 . 21 1 1 A 149 149 ALA N N 149 127.741 129.755 -2.014 1 1 1673 . 21 1 1 A 150 150 THR H H 150 8.200 7.589 0.611 1 1 1674 . 21 1 1 A 150 150 THR HA H 150 4.393 4.252 0.141 1 1 1679 . 21 1 1 A 150 150 THR C C 150 174.554 174.562 -0.008 1 1 1680 . 21 1 1 A 150 150 THR CA C 150 62.312 62.188 0.124 1 1 1681 . 21 1 1 A 150 150 THR CB C 150 69.694 69.426 0.268 1 1 1683 . 21 1 1 A 150 150 THR N N 150 104.453 106.439 -1.986 1 1 1684 . 21 1 1 A 151 151 ASN H H 151 7.984 7.842 0.142 1 1 1685 . 21 1 1 A 151 151 ASN HA H 151 4.947 4.687 0.260 1 1 1690 . 21 1 1 A 151 151 ASN C C 151 174.554 174.497 0.057 1 1 1691 . 21 1 1 A 151 151 ASN CA C 151 51.135 51.909 -0.774 1 1 1692 . 21 1 1 A 151 151 ASN CB C 151 39.344 39.988 -0.644 1 1 1693 . 21 1 1 A 151 151 ASN N N 151 123.487 121.775 1.712 1 1 1695 . 21 1 1 A 152 152 HIS H H 152 8.160 8.476 -0.316 1 1 1696 . 21 1 1 A 152 152 HIS HA H 152 4.731 5.102 -0.371 1 1 1700 . 21 1 1 A 152 152 HIS C C 152 174.381 172.894 1.487 1 1 1701 . 21 1 1 A 152 152 HIS CA C 152 54.854 53.855 0.999 1 1 1702 . 21 1 1 A 152 152 HIS CB C 152 31.415 31.542 -0.127 1 1 1703 . 21 1 1 A 152 152 HIS N N 152 116.139 116.846 -0.707 1 1 1704 . 21 1 1 A 153 153 PRO HA H 153 4.335 4.530 -0.195 1 1 1709 . 21 1 1 A 153 153 PRO C C 153 173.894 176.298 -2.404 1 1 1710 . 21 1 1 A 153 153 PRO CA C 153 61.491 62.252 -0.761 1 1 1711 . 21 1 1 A 153 153 PRO CB C 153 32.782 32.699 0.083 1 1 1714 . 21 1 1 A 154 154 ASN H H 154 9.511 8.618 0.893 1 1 1715 . 21 1 1 A 154 154 ASN HA H 154 4.306 4.816 -0.510 1 1 1720 . 21 1 1 A 154 154 ASN C C 154 176.568 176.205 0.363 1 1 1721 . 21 1 1 A 154 154 ASN CA C 154 54.656 52.794 1.862 1 1 1722 . 21 1 1 A 154 154 ASN CB C 154 39.071 39.078 -0.007 1 1 1723 . 21 1 1 A 154 154 ASN N N 154 118.718 119.717 -0.999 1 1 1725 . 21 1 1 A 155 155 TYR H H 155 8.691 8.463 0.228 1 1 1726 . 21 1 1 A 155 155 TYR HA H 155 4.364 4.208 0.156 1 1 1731 . 21 1 1 A 155 155 TYR C C 155 176.256 177.115 -0.859 1 1 1732 . 21 1 1 A 155 155 TYR CA C 155 59.304 60.147 -0.843 1 1 1733 . 21 1 1 A 155 155 TYR CB C 155 39.344 37.802 1.542 1 1 1734 . 21 1 1 A 155 155 TYR N N 155 125.421 126.071 -0.650 1 1 1735 . 21 1 1 A 156 156 GLU H H 156 8.200 7.914 0.286 1 1 1736 . 21 1 1 A 156 156 GLU HA H 156 4.415 4.087 0.328 1 1 1741 . 21 1 1 A 156 156 GLU C C 156 178.583 179.162 -0.579 1 1 1742 . 21 1 1 A 156 156 GLU CA C 156 58.757 59.388 -0.631 1 1 1743 . 21 1 1 A 156 156 GLU CB C 156 30.868 28.933 1.935 1 1 1745 . 21 1 1 A 156 156 GLU N N 156 119.878 122.301 -2.423 1 1 1746 . 21 1 1 A 157 157 LYS H H 157 8.718 7.407 1.311 1 1 1747 . 21 1 1 A 157 157 LYS HA H 157 4.095 4.021 0.074 1 1 1756 . 21 1 1 A 157 157 LYS C C 157 176.152 175.501 0.651 1 1 1757 . 21 1 1 A 157 157 LYS CA C 157 60.398 61.393 -0.995 1 1 1758 . 21 1 1 A 157 157 LYS CB C 157 30.595 30.893 -0.298 1 1 1762 . 21 1 1 A 157 157 LYS N N 157 121.167 120.561 0.606 1 1 1763 . 21 1 1 A 158 158 PRO HA H 158 3.116 3.527 -0.411 1 1 1770 . 21 1 1 A 158 158 PRO C C 158 177.853 179.401 -1.548 1 1 1771 . 21 1 1 A 158 158 PRO CA C 158 65.319 64.853 0.466 1 1 1772 . 21 1 1 A 158 158 PRO CB C 158 30.595 30.296 0.299 1 1 1775 . 21 1 1 A 159 159 ILE H H 159 6.215 7.273 -1.058 1 1 1776 . 21 1 1 A 159 159 ILE HA H 159 3.594 3.916 -0.322 1 1 1786 . 21 1 1 A 159 159 ILE C C 159 177.610 177.923 -0.313 1 1 1787 . 21 1 1 A 159 159 ILE CA C 159 62.312 64.331 -2.019 1 1 1788 . 21 1 1 A 159 159 ILE CB C 159 35.516 37.979 -2.463 1 1 1792 . 21 1 1 A 159 159 ILE N N 159 113.948 116.233 -2.285 1 1 1793 . 21 1 1 A 160 160 GLU H H 160 7.572 8.728 -1.156 1 1 1794 . 21 1 1 A 160 160 GLU HA H 160 3.876 4.051 -0.175 1 1 1799 . 21 1 1 A 160 160 GLU C C 160 179.277 178.732 0.545 1 1 1800 . 21 1 1 A 160 160 GLU CA C 160 59.304 58.964 0.340 1 1 1801 . 21 1 1 A 160 160 GLU CB C 160 29.774 28.816 0.958 1 1 1803 . 21 1 1 A 160 160 GLU N N 160 119.104 119.926 -0.822 1 1 1804 . 21 1 1 A 161 161 ALA H H 161 7.902 7.562 0.340 1 1 1805 . 21 1 1 A 161 161 ALA HA H 161 4.137 4.212 -0.075 1 1 1809 . 21 1 1 A 161 161 ALA C C 161 179.485 179.923 -0.438 1 1 1810 . 21 1 1 A 161 161 ALA CA C 161 54.656 55.027 -0.371 1 1 1811 . 21 1 1 A 161 161 ALA CB C 161 18.017 18.110 -0.093 1 1 1812 . 21 1 1 A 161 161 ALA N N 161 120.393 123.230 -2.837 1 1 1813 . 21 1 1 A 162 162 ALA H H 162 7.734 8.027 -0.293 1 1 1814 . 21 1 1 A 162 162 ALA HA H 162 3.950 4.095 -0.145 1 1 1818 . 21 1 1 A 162 162 ALA C C 162 179.485 179.897 -0.412 1 1 1819 . 21 1 1 A 162 162 ALA CA C 162 54.656 55.274 -0.618 1 1 1820 . 21 1 1 A 162 162 ALA CB C 162 19.111 18.136 0.975 1 1 1821 . 21 1 1 A 162 162 ALA N N 162 118.202 120.208 -2.006 1 1 1822 . 21 1 1 A 163 163 LYS H H 163 8.760 8.490 0.270 1 1 1823 . 21 1 1 A 163 163 LYS HA H 163 3.842 4.025 -0.183 1 1 1832 . 21 1 1 A 163 163 LYS C C 163 178.201 179.641 -1.440 1 1 1833 . 21 1 1 A 163 163 LYS CA C 163 59.578 59.339 0.239 1 1 1834 . 21 1 1 A 163 163 LYS CB C 163 32.782 32.066 0.716 1 1 1838 . 21 1 1 A 163 163 LYS N N 163 118.202 116.807 1.395 1 1 1839 . 21 1 1 A 164 164 ALA H H 164 7.216 8.267 -1.051 1 1 1840 . 21 1 1 A 164 164 ALA HA H 164 4.215 4.125 0.090 1 1 1844 . 21 1 1 A 164 164 ALA C C 164 178.339 180.552 -2.213 1 1 1845 . 21 1 1 A 164 164 ALA CA C 164 53.836 54.975 -1.139 1 1 1846 . 21 1 1 A 164 164 ALA CB C 164 18.291 18.379 -0.088 1 1 1847 . 21 1 1 A 164 164 ALA N N 164 117.557 122.089 -4.532 1 1 1848 . 21 1 1 A 165 165 LEU H H 165 7.503 7.901 -0.398 1 1 1849 . 21 1 1 A 165 165 LEU HA H 165 4.432 4.111 0.321 1 1 1859 . 21 1 1 A 165 165 LEU C C 165 177.714 179.347 -1.633 1 1 1860 . 21 1 1 A 165 165 LEU CA C 165 54.929 57.834 -2.905 1 1 1861 . 21 1 1 A 165 165 LEU CB C 165 44.256 42.363 1.893 1 1 1865 . 21 1 1 A 165 165 LEU N N 165 115.753 120.218 -4.465 1 1 1866 . 21 1 1 A 166 166 VAL H H 166 7.337 8.107 -0.770 1 1 1867 . 21 1 1 A 166 166 VAL HA H 166 4.103 3.585 0.518 1 1 1875 . 21 1 1 A 166 166 VAL C C 166 175.040 175.651 -0.611 1 1 1876 . 21 1 1 A 166 166 VAL CA C 166 62.859 66.614 -3.755 1 1 1877 . 21 1 1 A 166 166 VAL CB C 166 32.509 31.752 0.757 1 1 1880 . 21 1 1 A 166 166 VAL N N 166 118.589 118.113 0.476 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 141 1.298 1 2 1 1 1 "RMS(OBS, PRED)" CA 164 1.408 1 3 1 1 1 "RMS(OBS, PRED)" CB 152 1.436 1 4 1 1 1 "RMS(OBS, PRED)" H 152 0.725 1 5 1 1 1 "RMS(OBS, PRED)" HA 176 0.420 1 6 1 1 1 "RMS(OBS, PRED)" N 144 3.380 1 7 1 2 1 "RMS(OBS, PRED)" C 141 1.225 1 8 1 2 1 "RMS(OBS, PRED)" CA 164 1.416 1 9 1 2 1 "RMS(OBS, PRED)" CB 152 1.525 1 10 1 2 1 "RMS(OBS, PRED)" H 152 0.708 1 11 1 2 1 "RMS(OBS, PRED)" HA 176 0.379 1 12 1 2 1 "RMS(OBS, PRED)" N 144 3.772 1 13 1 3 1 "RMS(OBS, PRED)" C 141 1.362 1 14 1 3 1 "RMS(OBS, PRED)" CA 164 1.536 1 15 1 3 1 "RMS(OBS, PRED)" CB 152 1.382 1 16 1 3 1 "RMS(OBS, PRED)" H 152 0.745 1 17 1 3 1 "RMS(OBS, PRED)" HA 176 0.377 1 18 1 3 1 "RMS(OBS, PRED)" N 144 3.784 1 19 1 4 1 "RMS(OBS, PRED)" C 141 1.251 1 20 1 4 1 "RMS(OBS, PRED)" CA 164 1.447 1 21 1 4 1 "RMS(OBS, PRED)" CB 152 1.437 1 22 1 4 1 "RMS(OBS, PRED)" H 152 0.748 1 23 1 4 1 "RMS(OBS, PRED)" HA 176 0.371 1 24 1 4 1 "RMS(OBS, PRED)" N 144 3.760 1 25 1 5 1 "RMS(OBS, PRED)" C 141 1.320 1 26 1 5 1 "RMS(OBS, PRED)" CA 164 1.455 1 27 1 5 1 "RMS(OBS, PRED)" CB 152 1.410 1 28 1 5 1 "RMS(OBS, PRED)" H 152 0.720 1 29 1 5 1 "RMS(OBS, PRED)" HA 176 0.383 1 30 1 5 1 "RMS(OBS, PRED)" N 144 3.872 1 31 1 6 1 "RMS(OBS, PRED)" C 141 1.336 1 32 1 6 1 "RMS(OBS, PRED)" CA 164 1.456 1 33 1 6 1 "RMS(OBS, PRED)" CB 152 1.433 1 34 1 6 1 "RMS(OBS, PRED)" H 152 0.740 1 35 1 6 1 "RMS(OBS, PRED)" HA 176 0.368 1 36 1 6 1 "RMS(OBS, PRED)" N 144 3.748 1 37 1 7 1 "RMS(OBS, PRED)" C 141 1.312 1 38 1 7 1 "RMS(OBS, PRED)" CA 164 1.447 1 39 1 7 1 "RMS(OBS, PRED)" CB 152 1.465 1 40 1 7 1 "RMS(OBS, PRED)" H 152 0.731 1 41 1 7 1 "RMS(OBS, PRED)" HA 176 0.384 1 42 1 7 1 "RMS(OBS, PRED)" N 144 3.410 1 43 1 8 1 "RMS(OBS, PRED)" C 141 1.277 1 44 1 8 1 "RMS(OBS, PRED)" CA 164 1.332 1 45 1 8 1 "RMS(OBS, PRED)" CB 152 1.436 1 46 1 8 1 "RMS(OBS, PRED)" H 152 0.747 1 47 1 8 1 "RMS(OBS, PRED)" HA 176 0.372 1 48 1 8 1 "RMS(OBS, PRED)" N 144 3.732 1 49 1 9 1 "RMS(OBS, PRED)" C 141 1.298 1 50 1 9 1 "RMS(OBS, PRED)" CA 164 1.342 1 51 1 9 1 "RMS(OBS, PRED)" CB 152 1.367 1 52 1 9 1 "RMS(OBS, PRED)" H 152 0.701 1 53 1 9 1 "RMS(OBS, PRED)" HA 176 0.366 1 54 1 9 1 "RMS(OBS, PRED)" N 144 3.506 1 55 1 10 1 "RMS(OBS, PRED)" C 141 1.274 1 56 1 10 1 "RMS(OBS, PRED)" CA 164 1.413 1 57 1 10 1 "RMS(OBS, PRED)" CB 152 1.433 1 58 1 10 1 "RMS(OBS, PRED)" H 152 0.753 1 59 1 10 1 "RMS(OBS, PRED)" HA 176 0.377 1 60 1 10 1 "RMS(OBS, PRED)" N 144 3.706 1 61 1 11 1 "RMS(OBS, PRED)" C 141 1.368 1 62 1 11 1 "RMS(OBS, PRED)" CA 164 1.376 1 63 1 11 1 "RMS(OBS, PRED)" CB 152 1.464 1 64 1 11 1 "RMS(OBS, PRED)" H 152 0.751 1 65 1 11 1 "RMS(OBS, PRED)" HA 176 0.381 1 66 1 11 1 "RMS(OBS, PRED)" N 144 3.704 1 67 1 12 1 "RMS(OBS, PRED)" C 141 1.383 1 68 1 12 1 "RMS(OBS, PRED)" CA 164 1.338 1 69 1 12 1 "RMS(OBS, PRED)" CB 152 1.483 1 70 1 12 1 "RMS(OBS, PRED)" H 152 0.736 1 71 1 12 1 "RMS(OBS, PRED)" HA 176 0.390 1 72 1 12 1 "RMS(OBS, PRED)" N 144 3.839 1 73 1 13 1 "RMS(OBS, PRED)" C 141 1.338 1 74 1 13 1 "RMS(OBS, PRED)" CA 164 1.282 1 75 1 13 1 "RMS(OBS, PRED)" CB 152 1.426 1 76 1 13 1 "RMS(OBS, PRED)" H 152 0.709 1 77 1 13 1 "RMS(OBS, PRED)" HA 176 0.381 1 78 1 13 1 "RMS(OBS, PRED)" N 144 3.769 1 79 1 14 1 "RMS(OBS, PRED)" C 141 1.293 1 80 1 14 1 "RMS(OBS, PRED)" CA 164 1.336 1 81 1 14 1 "RMS(OBS, PRED)" CB 152 1.478 1 82 1 14 1 "RMS(OBS, PRED)" H 152 0.751 1 83 1 14 1 "RMS(OBS, PRED)" HA 176 0.380 1 84 1 14 1 "RMS(OBS, PRED)" N 144 3.590 1 85 1 15 1 "RMS(OBS, PRED)" C 141 1.214 1 86 1 15 1 "RMS(OBS, PRED)" CA 164 1.447 1 87 1 15 1 "RMS(OBS, PRED)" CB 152 1.408 1 88 1 15 1 "RMS(OBS, PRED)" H 152 0.705 1 89 1 15 1 "RMS(OBS, PRED)" HA 176 0.390 1 90 1 15 1 "RMS(OBS, PRED)" N 144 3.662 1 91 1 16 1 "RMS(OBS, PRED)" C 141 1.315 1 92 1 16 1 "RMS(OBS, PRED)" CA 164 1.426 1 93 1 16 1 "RMS(OBS, PRED)" CB 152 1.362 1 94 1 16 1 "RMS(OBS, PRED)" H 152 0.748 1 95 1 16 1 "RMS(OBS, PRED)" HA 176 0.389 1 96 1 16 1 "RMS(OBS, PRED)" N 144 3.667 1 97 1 17 1 "RMS(OBS, PRED)" C 141 1.318 1 98 1 17 1 "RMS(OBS, PRED)" CA 164 1.330 1 99 1 17 1 "RMS(OBS, PRED)" CB 152 1.431 1 100 1 17 1 "RMS(OBS, PRED)" H 152 0.733 1 101 1 17 1 "RMS(OBS, PRED)" HA 176 0.372 1 102 1 17 1 "RMS(OBS, PRED)" N 144 3.355 1 103 1 18 1 "RMS(OBS, PRED)" C 141 1.257 1 104 1 18 1 "RMS(OBS, PRED)" CA 164 1.355 1 105 1 18 1 "RMS(OBS, PRED)" CB 152 1.457 1 106 1 18 1 "RMS(OBS, PRED)" H 152 0.741 1 107 1 18 1 "RMS(OBS, PRED)" HA 176 0.373 1 108 1 18 1 "RMS(OBS, PRED)" N 144 3.690 1 109 1 19 1 "RMS(OBS, PRED)" C 141 1.291 1 110 1 19 1 "RMS(OBS, PRED)" CA 164 1.469 1 111 1 19 1 "RMS(OBS, PRED)" CB 152 1.389 1 112 1 19 1 "RMS(OBS, PRED)" H 152 0.682 1 113 1 19 1 "RMS(OBS, PRED)" HA 176 0.381 1 114 1 19 1 "RMS(OBS, PRED)" N 144 3.785 1 115 1 20 1 "RMS(OBS, PRED)" C 141 1.328 1 116 1 20 1 "RMS(OBS, PRED)" CA 164 1.492 1 117 1 20 1 "RMS(OBS, PRED)" CB 152 1.359 1 118 1 20 1 "RMS(OBS, PRED)" H 152 0.681 1 119 1 20 1 "RMS(OBS, PRED)" HA 176 0.379 1 120 1 20 1 "RMS(OBS, PRED)" N 144 3.595 1 121 1 21 1 "RMS(OBS, PRED)" C 141 1.289 1 122 1 21 1 "RMS(OBS, PRED)" CA 164 1.338 1 123 1 21 1 "RMS(OBS, PRED)" CB 152 1.335 1 124 1 21 1 "RMS(OBS, PRED)" H 152 0.722 1 125 1 21 1 "RMS(OBS, PRED)" HA 176 0.393 1 126 1 21 1 "RMS(OBS, PRED)" N 144 3.483 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 2 2 ALA HA H 2 3.876 4.364 -0.488 2 1 5 . 1 1 A 2 2 ALA C C 2 172.590 176.496 -3.906 2 1 6 . 1 1 A 2 2 ALA CA C 2 51.922 51.679 0.243 2 1 7 . 1 1 A 2 2 ALA CB C 2 18.924 18.933 -0.009 2 1 8 . 1 1 A 3 3 GLU H H 3 8.262 8.136 0.126 2 1 9 . 1 1 A 3 3 GLU HA H 3 4.641 4.630 0.011 2 1 14 . 1 1 A 3 3 GLU C C 3 175.157 175.224 -0.067 2 1 15 . 1 1 A 3 3 GLU CA C 3 55.476 55.829 -0.353 2 1 16 . 1 1 A 3 3 GLU CB C 3 31.142 32.283 -1.141 2 1 18 . 1 1 A 3 3 GLU N N 3 121.167 119.753 1.414 2 1 19 . 1 1 A 4 4 ILE H H 4 9.053 8.528 0.525 2 1 20 . 1 1 A 4 4 ILE HA H 4 5.361 5.064 0.297 2 1 30 . 1 1 A 4 4 ILE C C 4 175.817 174.713 1.104 2 1 31 . 1 1 A 4 4 ILE CA C 4 59.304 59.055 0.249 2 1 32 . 1 1 A 4 4 ILE CB C 4 42.079 42.603 -0.524 2 1 36 . 1 1 A 4 4 ILE N N 4 124.776 119.239 5.537 2 1 37 . 1 1 A 5 5 THR H H 5 8.977 8.369 0.608 2 1 38 . 1 1 A 5 5 THR HA H 5 5.141 5.393 -0.252 2 1 43 . 1 1 A 5 5 THR C C 5 173.483 173.388 0.095 2 1 44 . 1 1 A 5 5 THR CA C 5 59.304 60.807 -1.503 2 1 45 . 1 1 A 5 5 THR CB C 5 73.249 71.977 1.272 2 1 47 . 1 1 A 5 5 THR N N 5 112.659 116.184 -3.525 2 1 48 . 1 1 A 6 6 PHE H H 6 9.173 9.407 -0.234 2 1 49 . 1 1 A 6 6 PHE HA H 6 4.866 5.005 -0.139 2 1 53 . 1 1 A 6 6 PHE C C 6 175.591 174.857 0.734 2 1 54 . 1 1 A 6 6 PHE CA C 6 58.054 57.440 0.614 2 1 55 . 1 1 A 6 6 PHE CB C 6 42.625 42.176 0.449 2 1 56 . 1 1 A 6 6 PHE N N 6 119.362 125.161 -5.799 2 1 57 . 1 1 A 7 7 LYS H H 7 11.130 9.139 1.991 2 1 58 . 1 1 A 7 7 LYS HA H 7 3.567 3.868 -0.301 2 1 67 . 1 1 A 7 7 LYS C C 7 177.661 176.337 1.324 2 1 68 . 1 1 A 7 7 LYS CA C 7 57.390 56.986 0.404 2 1 69 . 1 1 A 7 7 LYS CB C 7 29.222 30.533 -1.311 2 1 73 . 1 1 A 7 7 LYS N N 7 134.058 126.713 7.345 2 1 74 . 1 1 A 8 8 GLY H H 8 8.965 8.730 0.235 2 1 75 . 1 1 A 8 8 GLY HA2 H 8 4.244 3.861 0.383 2 1 76 . 1 1 A 8 8 GLY HA3 H 8 3.528 3.865 -0.337 2 1 77 . 1 1 A 8 8 GLY C C 8 173.822 174.147 -0.325 2 1 78 . 1 1 A 8 8 GLY CA C 8 45.360 45.593 -0.233 2 1 79 . 1 1 A 8 8 GLY N N 8 104.280 105.791 -1.511 2 1 80 . 1 1 A 9 9 GLY H H 9 7.942 8.152 -0.210 2 1 81 . 1 1 A 9 9 GLY HA2 H 9 4.815 4.238 0.577 2 1 82 . 1 1 A 9 9 GLY HA3 H 9 3.715 4.260 -0.545 2 1 83 . 1 1 A 9 9 GLY C C 9 171.262 173.005 -1.743 2 1 84 . 1 1 A 9 9 GLY CA C 9 43.172 44.770 -1.598 2 1 85 . 1 1 A 9 9 GLY N N 9 109.823 107.879 1.944 2 1 86 . 1 1 A 10 10 PRO HA H 10 4.640 4.762 -0.122 2 1 93 . 1 1 A 10 10 PRO C C 10 177.097 176.367 0.730 2 1 94 . 1 1 A 10 10 PRO CA C 10 63.952 63.013 0.939 2 1 95 . 1 1 A 10 10 PRO CB C 10 32.509 32.432 0.077 2 1 98 . 1 1 A 11 11 VAL H H 11 7.770 8.590 -0.820 2 1 99 . 1 1 A 11 11 VAL HA H 11 4.632 4.943 -0.311 2 1 107 . 1 1 A 11 11 VAL C C 11 174.462 174.410 0.052 2 1 108 . 1 1 A 11 11 VAL CA C 11 59.304 59.475 -0.171 2 1 109 . 1 1 A 11 11 VAL CB C 11 35.516 35.811 -0.295 2 1 112 . 1 1 A 11 11 VAL N N 11 115.495 116.569 -1.074 2 1 113 . 1 1 A 12 12 THR H H 12 10.773 8.768 2.005 2 1 114 . 1 1 A 12 12 THR HA H 12 4.425 4.702 -0.277 2 1 119 . 1 1 A 12 12 THR C C 12 173.505 173.833 -0.328 2 1 120 . 1 1 A 12 12 THR CA C 12 62.312 61.666 0.646 2 1 121 . 1 1 A 12 12 THR CB C 12 69.694 70.722 -1.028 2 1 123 . 1 1 A 12 12 THR N N 12 121.940 119.295 2.645 2 1 124 . 1 1 A 13 13 LEU H H 13 8.524 8.607 -0.083 2 1 125 . 1 1 A 13 13 LEU HA H 13 5.132 4.948 0.184 2 1 135 . 1 1 A 13 13 LEU C C 13 177.285 176.773 0.512 2 1 136 . 1 1 A 13 13 LEU CA C 13 53.289 53.351 -0.062 2 1 137 . 1 1 A 13 13 LEU CB C 13 42.352 44.424 -2.072 2 1 141 . 1 1 A 13 13 LEU N N 13 125.550 124.168 1.382 2 1 142 . 1 1 A 14 14 VAL H H 14 8.962 8.750 0.212 2 1 143 . 1 1 A 14 14 VAL HA H 14 3.859 3.859 -0.000 2 1 151 . 1 1 A 14 14 VAL C C 14 174.604 177.449 -2.845 2 1 152 . 1 1 A 14 14 VAL CA C 14 62.312 64.872 -2.560 2 1 153 . 1 1 A 14 14 VAL CB C 14 32.509 32.241 0.268 2 1 156 . 1 1 A 14 14 VAL N N 14 126.968 121.706 5.262 2 1 157 . 1 1 A 15 15 GLY H H 15 7.838 8.000 -0.162 2 1 158 . 1 1 A 15 15 GLY HA2 H 15 5.132 3.961 1.171 2 1 159 . 1 1 A 15 15 GLY HA3 H 15 3.730 3.975 -0.245 2 1 160 . 1 1 A 15 15 GLY C C 15 174.542 174.296 0.246 2 1 161 . 1 1 A 15 15 GLY CA C 15 43.446 45.421 -1.975 2 1 162 . 1 1 A 15 15 GLY N N 15 110.596 109.129 1.467 2 1 163 . 1 1 A 16 16 GLN H H 16 8.247 7.821 0.426 2 1 164 . 1 1 A 16 16 GLN HA H 16 4.347 4.100 0.247 2 1 171 . 1 1 A 16 16 GLN C C 16 174.876 175.348 -0.472 2 1 172 . 1 1 A 16 16 GLN CA C 16 54.656 57.095 -2.439 2 1 173 . 1 1 A 16 16 GLN CB C 16 30.321 28.230 2.091 2 1 175 . 1 1 A 16 16 GLN N N 16 120.522 117.359 3.163 2 1 177 . 1 1 A 17 17 GLU H H 17 8.149 8.471 -0.322 2 1 178 . 1 1 A 17 17 GLU HA H 17 3.938 4.160 -0.222 2 1 183 . 1 1 A 17 17 GLU C C 17 176.607 175.885 0.722 2 1 184 . 1 1 A 17 17 GLU CA C 17 57.117 56.693 0.424 2 1 185 . 1 1 A 17 17 GLU CB C 17 30.321 29.833 0.488 2 1 187 . 1 1 A 17 17 GLU N N 17 123.616 120.686 2.930 2 1 188 . 1 1 A 18 18 VAL H H 18 8.605 8.539 0.066 2 1 189 . 1 1 A 18 18 VAL HA H 18 4.047 4.235 -0.188 2 1 197 . 1 1 A 18 18 VAL C C 18 174.386 175.398 -1.012 2 1 198 . 1 1 A 18 18 VAL CA C 18 61.765 62.198 -0.433 2 1 199 . 1 1 A 18 18 VAL CB C 18 32.782 32.698 0.084 2 1 202 . 1 1 A 18 18 VAL N N 18 125.936 121.666 4.270 2 1 203 . 1 1 A 19 19 LYS H H 19 8.461 8.811 -0.350 2 1 204 . 1 1 A 19 19 LYS HA H 19 4.624 4.953 -0.329 2 1 213 . 1 1 A 19 19 LYS C C 19 176.457 174.951 1.506 2 1 214 . 1 1 A 19 19 LYS CA C 19 53.562 54.420 -0.858 2 1 215 . 1 1 A 19 19 LYS CB C 19 34.423 35.942 -1.519 2 1 219 . 1 1 A 19 19 LYS N N 19 123.874 122.123 1.751 2 1 220 . 1 1 A 20 20 VAL H H 20 8.349 8.498 -0.149 2 1 221 . 1 1 A 20 20 VAL HA H 20 3.421 3.814 -0.393 2 1 229 . 1 1 A 20 20 VAL C C 20 177.624 177.034 0.590 2 1 230 . 1 1 A 20 20 VAL CA C 20 65.593 64.320 1.273 2 1 231 . 1 1 A 20 20 VAL CB C 20 31.415 31.521 -0.106 2 1 234 . 1 1 A 20 20 VAL N N 20 120.393 122.144 -1.751 2 1 235 . 1 1 A 21 21 GLY H H 21 9.338 9.394 -0.056 2 1 236 . 1 1 A 21 21 GLY HA2 H 21 4.566 4.042 0.524 2 1 237 . 1 1 A 21 21 GLY HA3 H 21 3.536 4.050 -0.514 2 1 238 . 1 1 A 21 21 GLY C C 21 174.160 174.542 -0.382 2 1 239 . 1 1 A 21 21 GLY CA C 21 44.539 45.411 -0.872 2 1 240 . 1 1 A 21 21 GLY N N 21 117.429 116.737 0.692 2 1 241 . 1 1 A 22 22 ASP H H 22 8.222 8.039 0.183 2 1 242 . 1 1 A 22 22 ASP HA H 22 4.650 4.591 0.059 2 1 245 . 1 1 A 22 22 ASP C C 22 176.231 175.840 0.391 2 1 246 . 1 1 A 22 22 ASP CA C 22 54.382 54.680 -0.298 2 1 247 . 1 1 A 22 22 ASP CB C 22 40.985 41.363 -0.378 2 1 248 . 1 1 A 22 22 ASP N N 22 121.811 121.561 0.250 2 1 249 . 1 1 A 23 23 GLN H H 23 8.598 8.007 0.591 2 1 250 . 1 1 A 23 23 GLN HA H 23 4.224 4.254 -0.030 2 1 257 . 1 1 A 23 23 GLN C C 23 175.892 174.672 1.220 2 1 258 . 1 1 A 23 23 GLN CA C 23 55.203 57.696 -2.493 2 1 259 . 1 1 A 23 23 GLN CB C 23 28.954 27.684 1.270 2 1 261 . 1 1 A 23 23 GLN N N 23 119.491 117.527 1.964 2 1 263 . 1 1 A 24 24 ALA H H 24 8.664 8.323 0.341 2 1 264 . 1 1 A 24 24 ALA HA H 24 4.030 4.515 -0.485 2 1 268 . 1 1 A 24 24 ALA C C 24 174.386 176.600 -2.214 2 1 269 . 1 1 A 24 24 ALA CA C 24 51.101 49.804 1.297 2 1 270 . 1 1 A 24 24 ALA CB C 24 19.111 20.599 -1.488 2 1 271 . 1 1 A 24 24 ALA N N 24 129.804 124.601 5.203 2 1 272 . 1 1 A 25 25 PRO HA H 25 4.422 4.490 -0.068 2 1 279 . 1 1 A 25 25 PRO C C 25 173.596 176.669 -3.073 2 1 280 . 1 1 A 25 25 PRO CA C 25 61.765 63.798 -2.033 2 1 281 . 1 1 A 25 25 PRO CB C 25 32.509 32.105 0.404 2 1 284 . 1 1 A 26 26 ASP H H 26 7.546 8.324 -0.778 2 1 285 . 1 1 A 26 26 ASP HA H 26 4.411 4.462 -0.051 2 1 288 . 1 1 A 26 26 ASP C C 26 175.591 174.670 0.921 2 1 289 . 1 1 A 26 26 ASP CA C 26 54.656 53.889 0.767 2 1 290 . 1 1 A 26 26 ASP CB C 26 42.625 40.301 2.324 2 1 291 . 1 1 A 26 26 ASP N N 26 114.979 119.262 -4.283 2 1 292 . 1 1 A 27 27 PHE H H 27 7.379 8.192 -0.813 2 1 293 . 1 1 A 27 27 PHE HA H 27 4.659 5.031 -0.372 2 1 295 . 1 1 A 27 27 PHE C C 27 173.407 174.379 -0.972 2 1 296 . 1 1 A 27 27 PHE CA C 27 56.570 56.501 0.069 2 1 297 . 1 1 A 27 27 PHE CB C 27 39.891 41.538 -1.647 2 1 298 . 1 1 A 27 27 PHE N N 27 113.561 121.119 -7.558 2 1 299 . 1 1 A 28 28 THR H H 28 8.540 8.778 -0.238 2 1 300 . 1 1 A 28 28 THR HA H 28 4.936 5.214 -0.278 2 1 305 . 1 1 A 28 28 THR C C 28 173.443 174.100 -0.657 2 1 306 . 1 1 A 28 28 THR CA C 28 62.889 61.556 1.333 2 1 307 . 1 1 A 28 28 THR CB C 28 72.155 71.454 0.701 2 1 309 . 1 1 A 28 28 THR N N 28 114.593 114.808 -0.215 2 1 310 . 1 1 A 29 29 VAL H H 29 9.120 9.123 -0.003 2 1 311 . 1 1 A 29 29 VAL HA H 29 4.863 5.018 -0.155 2 1 319 . 1 1 A 29 29 VAL C C 29 173.558 174.136 -0.578 2 1 320 . 1 1 A 29 29 VAL CA C 29 59.527 59.385 0.142 2 1 321 . 1 1 A 29 29 VAL CB C 29 35.243 36.083 -0.840 2 1 324 . 1 1 A 29 29 VAL N N 29 119.233 118.528 0.705 2 1 325 . 1 1 A 30 30 LEU H H 30 8.565 8.837 -0.272 2 1 326 . 1 1 A 30 30 LEU HA H 30 5.615 5.242 0.373 2 1 336 . 1 1 A 30 30 LEU C C 30 180.310 176.613 3.697 2 1 337 . 1 1 A 30 30 LEU CA C 30 53.562 53.496 0.066 2 1 338 . 1 1 A 30 30 LEU CB C 30 47.547 44.785 2.762 2 1 342 . 1 1 A 30 30 LEU N N 30 117.429 123.250 -5.821 2 1 343 . 1 1 A 31 31 THR H H 31 9.587 8.693 0.894 2 1 344 . 1 1 A 31 31 THR HA H 31 4.741 4.622 0.119 2 1 349 . 1 1 A 31 31 THR C C 31 176.457 175.742 0.715 2 1 350 . 1 1 A 31 31 THR CA C 31 60.632 60.507 0.125 2 1 351 . 1 1 A 31 31 THR CB C 31 71.451 71.478 -0.027 2 1 353 . 1 1 A 31 31 THR N N 31 114.721 114.808 -0.087 2 1 354 . 1 1 A 32 32 ASN H H 32 9.812 9.045 0.767 2 1 355 . 1 1 A 32 32 ASN HA H 32 4.352 4.455 -0.103 2 1 358 . 1 1 A 32 32 ASN C C 32 175.252 176.584 -1.332 2 1 359 . 1 1 A 32 32 ASN CA C 32 55.476 55.863 -0.387 2 1 360 . 1 1 A 32 32 ASN CB C 32 38.524 38.129 0.395 2 1 361 . 1 1 A 32 32 ASN N N 32 118.460 120.451 -1.991 2 1 362 . 1 1 A 33 33 SER H H 33 7.782 7.761 0.021 2 1 363 . 1 1 A 33 33 SER HA H 33 4.562 4.537 0.025 2 1 366 . 1 1 A 33 33 SER C C 33 173.822 173.431 0.391 2 1 367 . 1 1 A 33 33 SER CA C 33 57.390 58.233 -0.843 2 1 368 . 1 1 A 33 33 SER CB C 33 62.859 63.340 -0.481 2 1 369 . 1 1 A 33 33 SER N N 33 110.725 112.397 -1.672 2 1 370 . 1 1 A 34 34 LEU H H 34 8.342 8.031 0.311 2 1 371 . 1 1 A 34 34 LEU HA H 34 3.686 3.826 -0.140 2 1 381 . 1 1 A 34 34 LEU C C 34 175.516 175.508 0.008 2 1 382 . 1 1 A 34 34 LEU CA C 34 57.117 56.193 0.924 2 1 383 . 1 1 A 34 34 LEU CB C 34 37.430 39.858 -2.428 2 1 387 . 1 1 A 34 34 LEU N N 34 116.913 119.134 -2.221 2 1 388 . 1 1 A 35 35 GLU H H 35 7.538 7.923 -0.385 2 1 389 . 1 1 A 35 35 GLU HA H 35 4.546 4.661 -0.115 2 1 394 . 1 1 A 35 35 GLU C C 35 176.005 176.001 0.004 2 1 395 . 1 1 A 35 35 GLU CA C 35 54.929 55.200 -0.271 2 1 396 . 1 1 A 35 35 GLU CB C 35 30.868 31.579 -0.711 2 1 398 . 1 1 A 35 35 GLU N N 35 117.429 117.228 0.201 2 1 399 . 1 1 A 36 36 GLU H H 36 8.681 8.557 0.124 2 1 400 . 1 1 A 36 36 GLU HA H 36 4.740 4.515 0.225 2 1 405 . 1 1 A 36 36 GLU C C 36 176.833 175.821 1.012 2 1 406 . 1 1 A 36 36 GLU CA C 36 56.923 57.036 -0.113 2 1 407 . 1 1 A 36 36 GLU CB C 36 30.868 29.844 1.024 2 1 409 . 1 1 A 36 36 GLU N N 36 121.296 121.773 -0.477 2 1 410 . 1 1 A 37 37 LYS H H 37 9.122 8.379 0.743 2 1 411 . 1 1 A 37 37 LYS HA H 37 4.639 4.754 -0.115 2 1 420 . 1 1 A 37 37 LYS C C 37 173.671 174.750 -1.079 2 1 421 . 1 1 A 37 37 LYS CA C 37 55.476 55.609 -0.133 2 1 422 . 1 1 A 37 37 LYS CB C 37 35.243 35.677 -0.434 2 1 426 . 1 1 A 37 37 LYS N N 37 125.292 123.050 2.242 2 1 427 . 1 1 A 38 38 SER H H 38 9.337 8.585 0.752 2 1 428 . 1 1 A 38 38 SER HA H 38 5.310 4.896 0.414 2 1 431 . 1 1 A 38 38 SER C C 38 175.102 174.764 0.338 2 1 432 . 1 1 A 38 38 SER CA C 38 56.296 56.929 -0.633 2 1 433 . 1 1 A 38 38 SER CB C 38 67.233 66.175 1.058 2 1 434 . 1 1 A 38 38 SER N N 38 121.811 119.434 2.377 2 1 435 . 1 1 A 39 39 LEU H H 39 7.023 8.328 -1.305 2 1 436 . 1 1 A 39 39 LEU HA H 39 3.872 3.800 0.072 2 1 446 . 1 1 A 39 39 LEU C C 39 179.845 178.338 1.507 2 1 447 . 1 1 A 39 39 LEU CA C 39 58.210 58.131 0.079 2 1 448 . 1 1 A 39 39 LEU CB C 39 40.711 41.066 -0.355 2 1 452 . 1 1 A 39 39 LEU N N 39 121.811 124.846 -3.035 2 1 453 . 1 1 A 40 40 ALA H H 40 8.447 8.068 0.379 2 1 454 . 1 1 A 40 40 ALA HA H 40 3.890 4.011 -0.121 2 1 458 . 1 1 A 40 40 ALA C C 40 179.995 179.843 0.152 2 1 459 . 1 1 A 40 40 ALA CA C 40 55.203 54.629 0.574 2 1 460 . 1 1 A 40 40 ALA CB C 40 18.291 18.278 0.013 2 1 461 . 1 1 A 40 40 ALA N N 40 119.362 119.488 -0.126 2 1 462 . 1 1 A 41 41 ASP H H 41 7.517 8.043 -0.526 2 1 463 . 1 1 A 41 41 ASP HA H 41 4.469 4.351 0.118 2 1 466 . 1 1 A 41 41 ASP C C 41 176.720 178.575 -1.855 2 1 467 . 1 1 A 41 41 ASP CA C 41 56.296 56.835 -0.539 2 1 468 . 1 1 A 41 41 ASP CB C 41 42.079 40.703 1.376 2 1 469 . 1 1 A 41 41 ASP N N 41 114.850 118.796 -3.946 2 1 470 . 1 1 A 42 42 MET H H 42 7.989 8.034 -0.045 2 1 471 . 1 1 A 42 42 MET HA H 42 4.336 4.450 -0.114 2 1 479 . 1 1 A 42 42 MET C C 42 175.440 177.153 -1.713 2 1 480 . 1 1 A 42 42 MET CA C 42 56.843 58.214 -1.371 2 1 481 . 1 1 A 42 42 MET CB C 42 31.962 32.595 -0.633 2 1 484 . 1 1 A 42 42 MET N N 42 118.847 116.224 2.623 2 1 485 . 1 1 A 43 43 LYS H H 43 6.901 7.520 -0.619 2 1 486 . 1 1 A 43 43 LYS HA H 43 4.265 4.241 0.024 2 1 494 . 1 1 A 43 43 LYS C C 43 177.435 177.413 0.022 2 1 495 . 1 1 A 43 43 LYS CA C 43 57.664 58.329 -0.665 2 1 496 . 1 1 A 43 43 LYS CB C 43 33.329 32.548 0.781 2 1 500 . 1 1 A 43 43 LYS N N 43 116.913 119.394 -2.481 2 1 501 . 1 1 A 44 44 GLY H H 44 9.268 9.047 0.221 2 1 502 . 1 1 A 44 44 GLY HA2 H 44 3.692 4.007 -0.315 2 1 503 . 1 1 A 44 44 GLY HA3 H 44 4.596 4.009 0.587 2 1 504 . 1 1 A 44 44 GLY C C 44 173.671 173.370 0.301 2 1 505 . 1 1 A 44 44 GLY CA C 44 44.813 45.220 -0.407 2 1 506 . 1 1 A 44 44 GLY N N 44 111.112 112.119 -1.007 2 1 507 . 1 1 A 45 45 LYS H H 45 7.516 7.658 -0.142 2 1 508 . 1 1 A 45 45 LYS HA H 45 4.754 4.811 -0.057 2 1 515 . 1 1 A 45 45 LYS C C 45 175.214 174.710 0.504 2 1 516 . 1 1 A 45 45 LYS CA C 45 54.820 54.984 -0.164 2 1 517 . 1 1 A 45 45 LYS CB C 45 36.883 36.150 0.733 2 1 521 . 1 1 A 45 45 LYS N N 45 117.944 120.845 -2.901 2 1 522 . 1 1 A 46 46 VAL H H 46 8.887 8.600 0.287 2 1 523 . 1 1 A 46 46 VAL HA H 46 3.950 4.220 -0.270 2 1 531 . 1 1 A 46 46 VAL C C 46 174.876 175.383 -0.507 2 1 532 . 1 1 A 46 46 VAL CA C 46 64.773 63.242 1.531 2 1 533 . 1 1 A 46 46 VAL CB C 46 31.962 32.195 -0.233 2 1 536 . 1 1 A 46 46 VAL N N 46 124.776 124.193 0.583 2 1 537 . 1 1 A 47 47 THR H H 47 8.956 8.879 0.077 2 1 538 . 1 1 A 47 47 THR HA H 47 5.300 5.300 0.000 2 1 543 . 1 1 A 47 47 THR C C 47 172.579 173.578 -0.999 2 1 544 . 1 1 A 47 47 THR CA C 47 62.312 61.414 0.898 2 1 545 . 1 1 A 47 47 THR CB C 47 73.249 72.190 1.059 2 1 547 . 1 1 A 47 47 THR N N 47 124.132 121.806 2.326 2 1 548 . 1 1 A 48 48 ILE H H 48 9.160 8.938 0.222 2 1 549 . 1 1 A 48 48 ILE HA H 48 4.740 4.997 -0.257 2 1 559 . 1 1 A 48 48 ILE C C 48 173.972 175.233 -1.261 2 1 560 . 1 1 A 48 48 ILE CA C 48 61.441 60.085 1.356 2 1 561 . 1 1 A 48 48 ILE CB C 48 40.438 41.902 -1.464 2 1 565 . 1 1 A 48 48 ILE N N 48 128.515 124.726 3.789 2 1 566 . 1 1 A 49 49 ILE H H 49 9.507 9.213 0.294 2 1 567 . 1 1 A 49 49 ILE HA H 49 4.883 5.035 -0.152 2 1 577 . 1 1 A 49 49 ILE C C 49 174.650 175.112 -0.462 2 1 578 . 1 1 A 49 49 ILE CA C 49 60.773 60.378 0.395 2 1 579 . 1 1 A 49 49 ILE CB C 49 41.532 41.334 0.198 2 1 583 . 1 1 A 49 49 ILE N N 49 126.194 127.402 -1.208 2 1 584 . 1 1 A 50 50 SER H H 50 9.079 9.132 -0.053 2 1 585 . 1 1 A 50 50 SER HA H 50 5.138 5.294 -0.156 2 1 588 . 1 1 A 50 50 SER C C 50 172.692 173.565 -0.873 2 1 589 . 1 1 A 50 50 SER CA C 50 56.843 57.782 -0.939 2 1 590 . 1 1 A 50 50 SER CB C 50 64.773 65.175 -0.402 2 1 591 . 1 1 A 50 50 SER N N 50 121.940 123.766 -1.826 2 1 592 . 1 1 A 51 51 VAL H H 51 9.010 8.838 0.172 2 1 593 . 1 1 A 51 51 VAL HA H 51 4.873 5.084 -0.211 2 1 601 . 1 1 A 51 51 VAL CA C 51 61.595 60.967 0.628 2 1 602 . 1 1 A 51 51 VAL CB C 51 32.509 35.295 -2.786 2 1 605 . 1 1 A 51 51 VAL N N 51 128.128 123.204 4.924 2 1 606 . 1 1 A 52 52 ILE H H 52 8.182 8.726 -0.544 2 1 607 . 1 1 A 52 52 ILE HA H 52 4.862 4.813 0.049 2 1 616 . 1 1 A 52 52 ILE CA C 52 58.026 57.346 0.680 2 1 617 . 1 1 A 52 52 ILE CB C 52 43.172 40.455 2.717 2 1 621 . 1 1 A 52 52 ILE N N 52 124.776 123.177 1.599 2 1 622 . 1 1 A 53 53 PRO HA H 53 4.904 4.546 0.358 2 1 629 . 1 1 A 53 53 PRO CA C 53 65.560 64.768 0.792 2 1 630 . 1 1 A 53 53 PRO CB C 53 31.826 32.318 -0.492 2 1 633 . 1 1 A 54 54 SER H H 54 7.214 7.624 -0.410 2 1 634 . 1 1 A 54 54 SER HA H 54 5.100 4.841 0.259 2 1 637 . 1 1 A 54 54 SER CA C 54 57.417 57.396 0.021 2 1 638 . 1 1 A 54 54 SER CB C 54 65.195 66.567 -1.372 2 1 639 . 1 1 A 54 54 SER N N 54 107.901 111.858 -3.957 2 1 640 . 1 1 A 55 55 ILE H H 55 7.330 8.695 -1.365 2 1 641 . 1 1 A 55 55 ILE HA H 55 5.075 4.165 0.910 2 1 651 . 1 1 A 55 55 ILE CA C 55 61.734 62.810 -1.076 2 1 652 . 1 1 A 55 55 ILE CB C 55 36.233 38.594 -2.361 2 1 656 . 1 1 A 56 56 ASP H H 56 8.699 8.075 0.624 2 1 657 . 1 1 A 56 56 ASP HA H 56 5.075 4.514 0.561 2 1 660 . 1 1 A 56 56 ASP CA C 56 54.407 56.310 -1.903 2 1 661 . 1 1 A 56 56 ASP CB C 56 42.832 41.326 1.506 2 1 662 . 1 1 A 56 56 ASP N N 56 121.940 121.679 0.261 2 1 663 . 1 1 A 57 57 THR H H 57 7.294 7.661 -0.367 2 1 664 . 1 1 A 57 57 THR HA H 57 4.323 4.275 0.048 2 1 669 . 1 1 A 57 57 THR C C 57 175.440 175.827 -0.387 2 1 670 . 1 1 A 57 57 THR CA C 57 61.765 62.776 -1.011 2 1 671 . 1 1 A 57 57 THR CB C 57 69.421 70.091 -0.670 2 1 673 . 1 1 A 57 57 THR N N 57 108.921 110.118 -1.197 2 1 674 . 1 1 A 58 58 GLY H H 58 8.215 8.156 0.059 2 1 675 . 1 1 A 58 58 GLY HA2 H 58 4.012 3.917 0.095 2 1 676 . 1 1 A 58 58 GLY HA3 H 58 4.012 3.926 0.086 2 1 677 . 1 1 A 58 58 GLY C C 58 173.520 175.539 -2.019 2 1 678 . 1 1 A 58 58 GLY CA C 58 45.360 45.930 -0.570 2 1 679 . 1 1 A 58 58 GLY N N 58 110.969 110.206 0.763 2 1 680 . 1 1 A 59 59 VAL H H 59 7.976 8.035 -0.059 2 1 681 . 1 1 A 59 59 VAL HA H 59 4.307 3.841 0.466 2 1 689 . 1 1 A 59 59 VAL C C 59 175.854 177.736 -1.882 2 1 690 . 1 1 A 59 59 VAL CA C 59 61.765 65.025 -3.260 2 1 691 . 1 1 A 59 59 VAL CB C 59 33.329 31.135 2.194 2 1 694 . 1 1 A 59 59 VAL N N 59 118.501 119.146 -0.645 2 1 696 . 1 1 A 61 61 ASP HA H 61 4.323 4.500 -0.177 2 1 697 . 1 1 A 61 61 ASP CA C 61 54.382 56.014 -1.632 2 1 698 . 1 1 A 61 61 ASP CB C 61 39.142 41.435 -2.293 2 1 699 . 1 1 A 62 62 ALA H H 62 8.663 7.903 0.760 2 1 700 . 1 1 A 62 62 ALA HA H 62 3.971 4.059 -0.088 2 1 704 . 1 1 A 62 62 ALA C C 62 180.485 177.942 2.543 2 1 705 . 1 1 A 62 62 ALA CA C 62 55.203 53.843 1.360 2 1 706 . 1 1 A 62 62 ALA CB C 62 18.838 19.058 -0.220 2 1 707 . 1 1 A 63 63 GLN H H 63 8.550 7.892 0.658 2 1 708 . 1 1 A 63 63 GLN HA H 63 3.865 4.217 -0.352 2 1 715 . 1 1 A 63 63 GLN C C 63 178.527 177.360 1.167 2 1 716 . 1 1 A 63 63 GLN CA C 63 59.346 57.124 2.222 2 1 717 . 1 1 A 63 63 GLN CB C 63 28.635 30.469 -1.834 2 1 719 . 1 1 A 63 63 GLN N N 63 117.429 116.354 1.075 2 1 721 . 1 1 A 64 64 THR H H 64 8.121 8.097 0.024 2 1 722 . 1 1 A 64 64 THR HA H 64 3.624 3.927 -0.303 2 1 727 . 1 1 A 64 64 THR C C 64 178.527 176.246 2.281 2 1 728 . 1 1 A 64 64 THR CA C 64 66.686 67.133 -0.447 2 1 729 . 1 1 A 64 64 THR CB C 64 68.600 68.311 0.289 2 1 731 . 1 1 A 64 64 THR N N 64 118.460 116.029 2.431 2 1 732 . 1 1 A 65 65 ARG H H 65 7.530 8.165 -0.635 2 1 733 . 1 1 A 65 65 ARG HA H 65 3.904 3.963 -0.059 2 1 739 . 1 1 A 65 65 ARG CA C 65 59.507 59.612 -0.105 2 1 740 . 1 1 A 65 65 ARG CB C 65 29.637 29.779 -0.142 2 1 743 . 1 1 A 66 66 ARG H H 66 7.972 7.760 0.212 2 1 744 . 1 1 A 66 66 ARG HA H 66 4.056 3.967 0.089 2 1 751 . 1 1 A 66 66 ARG C C 66 177.624 178.208 -0.584 2 1 752 . 1 1 A 66 66 ARG CA C 66 59.031 58.705 0.326 2 1 753 . 1 1 A 66 66 ARG CB C 66 29.228 29.864 -0.636 2 1 756 . 1 1 A 66 66 ARG N N 66 118.460 119.345 -0.885 2 1 757 . 1 1 A 67 67 PHE H H 67 7.673 8.239 -0.566 2 1 758 . 1 1 A 67 67 PHE HA H 67 4.260 4.114 0.146 2 1 763 . 1 1 A 67 67 PHE C C 67 176.043 177.510 -1.467 2 1 764 . 1 1 A 67 67 PHE CA C 67 60.945 61.048 -0.103 2 1 765 . 1 1 A 67 67 PHE CB C 67 39.071 38.992 0.079 2 1 766 . 1 1 A 67 67 PHE N N 67 119.362 120.440 -1.078 2 1 767 . 1 1 A 68 68 ASN H H 68 7.688 8.410 -0.722 2 1 768 . 1 1 A 68 68 ASN HA H 68 4.150 3.954 0.196 2 1 771 . 1 1 A 68 68 ASN C C 68 177.172 177.629 -0.457 2 1 772 . 1 1 A 68 68 ASN CA C 68 55.750 56.121 -0.371 2 1 773 . 1 1 A 68 68 ASN CB C 68 37.977 37.967 0.010 2 1 774 . 1 1 A 68 68 ASN N N 68 117.042 117.344 -0.302 2 1 775 . 1 1 A 69 69 GLU H H 69 8.185 8.367 -0.182 2 1 776 . 1 1 A 69 69 GLU HA H 69 3.848 3.975 -0.127 2 1 781 . 1 1 A 69 69 GLU C C 69 179.468 178.970 0.498 2 1 782 . 1 1 A 69 69 GLU CA C 69 59.577 59.449 0.128 2 1 783 . 1 1 A 69 69 GLU CB C 69 30.321 29.127 1.194 2 1 785 . 1 1 A 69 69 GLU N N 69 118.975 119.539 -0.564 2 1 786 . 1 1 A 70 70 GLU H H 70 8.671 8.193 0.478 2 1 787 . 1 1 A 70 70 GLU HA H 70 3.807 3.990 -0.183 2 1 792 . 1 1 A 70 70 GLU C C 70 179.468 178.827 0.641 2 1 793 . 1 1 A 70 70 GLU CA C 70 58.757 59.106 -0.349 2 1 794 . 1 1 A 70 70 GLU CB C 70 29.501 29.581 -0.080 2 1 796 . 1 1 A 70 70 GLU N N 70 118.975 119.074 -0.099 2 1 797 . 1 1 A 71 71 ALA H H 71 8.418 8.175 0.243 2 1 798 . 1 1 A 71 71 ALA HA H 71 3.616 3.950 -0.334 2 1 802 . 1 1 A 71 71 ALA C C 71 178.226 180.025 -1.799 2 1 803 . 1 1 A 71 71 ALA CA C 71 54.656 54.880 -0.224 2 1 804 . 1 1 A 71 71 ALA CB C 71 18.017 17.747 0.270 2 1 805 . 1 1 A 71 71 ALA N N 71 122.069 122.771 -0.702 2 1 806 . 1 1 A 72 72 ALA H H 72 7.520 7.979 -0.459 2 1 807 . 1 1 A 72 72 ALA HA H 72 3.842 3.978 -0.136 2 1 811 . 1 1 A 72 72 ALA C C 72 179.280 178.411 0.869 2 1 812 . 1 1 A 72 72 ALA CA C 72 54.109 54.443 -0.334 2 1 813 . 1 1 A 72 72 ALA CB C 72 18.564 18.217 0.347 2 1 814 . 1 1 A 72 72 ALA N N 72 116.139 119.522 -3.383 2 1 815 . 1 1 A 73 73 LYS H H 73 7.302 7.649 -0.347 2 1 816 . 1 1 A 73 73 LYS HA H 73 4.129 4.270 -0.141 2 1 825 . 1 1 A 73 73 LYS C C 73 177.661 178.499 -0.838 2 1 826 . 1 1 A 73 73 LYS CA C 73 57.116 57.350 -0.234 2 1 827 . 1 1 A 73 73 LYS CB C 73 32.782 32.636 0.146 2 1 831 . 1 1 A 73 73 LYS N N 73 114.850 116.225 -1.375 2 1 832 . 1 1 A 74 74 LEU H H 74 7.398 7.444 -0.046 2 1 833 . 1 1 A 74 74 LEU HA H 74 3.983 4.039 -0.056 2 1 843 . 1 1 A 74 74 LEU C C 74 177.021 176.845 0.176 2 1 844 . 1 1 A 74 74 LEU CA C 74 56.843 56.904 -0.061 2 1 845 . 1 1 A 74 74 LEU CB C 74 42.625 42.736 -0.111 2 1 849 . 1 1 A 74 74 LEU N N 74 118.460 119.414 -0.954 2 1 850 . 1 1 A 75 75 GLY H H 75 7.174 7.238 -0.064 2 1 851 . 1 1 A 75 75 GLY HA2 H 75 4.215 4.057 0.158 2 1 852 . 1 1 A 75 75 GLY HA3 H 75 3.630 4.059 -0.429 2 1 853 . 1 1 A 75 75 GLY C C 75 172.805 173.389 -0.584 2 1 854 . 1 1 A 75 75 GLY CA C 75 45.360 45.641 -0.281 2 1 855 . 1 1 A 75 75 GLY N N 75 102.991 104.367 -1.376 2 1 856 . 1 1 A 76 76 ASP H H 76 8.825 8.562 0.263 2 1 857 . 1 1 A 76 76 ASP HA H 76 4.766 4.714 0.052 2 1 860 . 1 1 A 76 76 ASP C C 76 173.749 175.597 -1.848 2 1 861 . 1 1 A 76 76 ASP CA C 76 53.708 53.819 -0.111 2 1 862 . 1 1 A 76 76 ASP CB C 76 39.071 40.481 -1.410 2 1 863 . 1 1 A 76 76 ASP N N 76 126.839 120.879 5.960 2 1 864 . 1 1 A 77 77 VAL H H 77 7.511 7.471 0.040 2 1 865 . 1 1 A 77 77 VAL HA H 77 4.772 4.094 0.678 2 1 873 . 1 1 A 77 77 VAL C C 77 175.629 175.756 -0.127 2 1 874 . 1 1 A 77 77 VAL CA C 77 58.959 61.998 -3.039 2 1 875 . 1 1 A 77 77 VAL CB C 77 34.970 32.627 2.343 2 1 878 . 1 1 A 77 77 VAL N N 77 115.615 118.273 -2.658 2 1 879 . 1 1 A 78 78 ASN H H 78 8.822 8.619 0.203 2 1 880 . 1 1 A 78 78 ASN HA H 78 4.820 4.715 0.105 2 1 885 . 1 1 A 78 78 ASN C C 78 174.047 175.003 -0.956 2 1 886 . 1 1 A 78 78 ASN CA C 78 52.085 53.616 -1.531 2 1 887 . 1 1 A 78 78 ASN CB C 78 40.438 38.779 1.659 2 1 888 . 1 1 A 78 78 ASN N N 78 120.393 122.606 -2.213 2 1 890 . 1 1 A 79 79 VAL H H 79 8.044 8.295 -0.251 2 1 891 . 1 1 A 79 79 VAL HA H 79 4.669 4.864 -0.195 2 1 899 . 1 1 A 79 79 VAL C C 79 174.123 173.474 0.649 2 1 900 . 1 1 A 79 79 VAL CA C 79 61.491 59.905 1.586 2 1 901 . 1 1 A 79 79 VAL CB C 79 33.329 34.828 -1.499 2 1 904 . 1 1 A 79 79 VAL N N 79 122.456 118.364 4.092 2 1 905 . 1 1 A 80 80 TYR H H 80 8.944 8.857 0.087 2 1 906 . 1 1 A 80 80 TYR HA H 80 6.170 5.314 0.856 2 1 911 . 1 1 A 80 80 TYR C C 80 177.210 175.184 2.026 2 1 912 . 1 1 A 80 80 TYR CA C 80 54.929 55.981 -1.052 2 1 913 . 1 1 A 80 80 TYR CB C 80 42.899 42.956 -0.057 2 1 914 . 1 1 A 80 80 TYR N N 80 123.229 124.376 -1.147 2 1 915 . 1 1 A 81 81 THR H H 81 8.465 8.708 -0.243 2 1 916 . 1 1 A 81 81 THR HA H 81 5.652 5.273 0.379 2 1 921 . 1 1 A 81 81 THR C C 81 172.880 173.302 -0.422 2 1 922 . 1 1 A 81 81 THR CA C 81 62.038 61.460 0.578 2 1 923 . 1 1 A 81 81 THR CB C 81 71.608 71.223 0.385 2 1 925 . 1 1 A 81 81 THR N N 81 119.491 115.746 3.745 2 1 926 . 1 1 A 82 82 ILE H H 82 8.958 9.211 -0.253 2 1 927 . 1 1 A 82 82 ILE HA H 82 5.145 4.678 0.467 2 1 937 . 1 1 A 82 82 ILE C C 82 174.123 175.052 -0.929 2 1 938 . 1 1 A 82 82 ILE CA C 82 59.847 60.696 -0.849 2 1 939 . 1 1 A 82 82 ILE CB C 82 39.618 38.955 0.663 2 1 943 . 1 1 A 82 82 ILE N N 82 125.550 128.479 -2.929 2 1 944 . 1 1 A 83 83 SER H H 83 7.731 8.838 -1.107 2 1 945 . 1 1 A 83 83 SER HA H 83 4.909 5.295 -0.386 2 1 948 . 1 1 A 83 83 SER C C 83 173.182 173.517 -0.335 2 1 949 . 1 1 A 83 83 SER CA C 83 57.034 57.744 -0.710 2 1 950 . 1 1 A 83 83 SER CB C 83 68.054 66.996 1.058 2 1 951 . 1 1 A 83 83 SER N N 83 117.171 122.357 -5.186 2 1 952 . 1 1 A 84 84 ALA H H 84 9.548 8.603 0.945 2 1 953 . 1 1 A 84 84 ALA HA H 84 4.177 4.528 -0.351 2 1 957 . 1 1 A 84 84 ALA C C 84 175.290 177.727 -2.437 2 1 958 . 1 1 A 84 84 ALA CA C 84 51.922 51.629 0.293 2 1 959 . 1 1 A 84 84 ALA CB C 84 19.111 20.119 -1.008 2 1 960 . 1 1 A 84 84 ALA N N 84 120.651 125.189 -4.538 2 1 961 . 1 1 A 85 85 ASP H H 85 7.739 8.652 -0.913 2 1 962 . 1 1 A 85 85 ASP HA H 85 4.380 4.413 -0.033 2 1 965 . 1 1 A 85 85 ASP C C 85 175.591 176.381 -0.790 2 1 966 . 1 1 A 85 85 ASP CA C 85 55.136 55.365 -0.229 2 1 967 . 1 1 A 85 85 ASP CB C 85 43.011 41.074 1.937 2 1 968 . 1 1 A 85 85 ASP N N 85 114.721 119.004 -4.283 2 1 969 . 1 1 A 86 86 LEU H H 86 8.475 7.386 1.089 2 1 970 . 1 1 A 86 86 LEU HA H 86 3.956 4.256 -0.300 2 1 980 . 1 1 A 86 86 LEU CA C 86 54.656 53.853 0.803 2 1 981 . 1 1 A 86 86 LEU CB C 86 39.380 42.382 -3.002 2 1 985 . 1 1 A 87 87 PRO HA H 87 4.225 4.232 -0.007 2 1 992 . 1 1 A 87 87 PRO CA C 87 65.046 64.591 0.455 2 1 993 . 1 1 A 87 87 PRO CB C 87 32.264 31.565 0.699 2 1 996 . 1 1 A 88 88 PHE H H 88 5.565 7.787 -2.222 2 1 997 . 1 1 A 88 88 PHE HA H 88 4.340 4.479 -0.139 2 1 1000 . 1 1 A 88 88 PHE CA C 88 57.664 59.323 -1.659 2 1 1001 . 1 1 A 88 88 PHE CB C 88 39.344 38.390 0.954 2 1 1002 . 1 1 A 88 88 PHE N N 88 110.725 116.568 -5.843 2 1 1003 . 1 1 A 89 89 ALA H H 89 7.381 7.842 -0.461 2 1 1004 . 1 1 A 89 89 ALA HA H 89 4.239 4.434 -0.195 2 1 1008 . 1 1 A 89 89 ALA CA C 89 52.009 52.157 -0.148 2 1 1009 . 1 1 A 89 89 ALA CB C 89 19.761 20.318 -0.557 2 1 1010 . 1 1 A 89 89 ALA N N 89 114.850 121.236 -6.386 2 1 1011 . 1 1 A 90 90 GLN H H 90 7.231 8.230 -0.999 2 1 1012 . 1 1 A 90 90 GLN HA H 90 3.695 4.271 -0.576 2 1 1018 . 1 1 A 90 90 GLN CA C 90 59.578 56.443 3.135 2 1 1019 . 1 1 A 90 90 GLN CB C 90 28.728 28.913 -0.185 2 1 1022 . 1 1 A 91 91 ALA H H 91 7.741 7.907 -0.166 2 1 1023 . 1 1 A 91 91 ALA HA H 91 4.202 3.966 0.236 2 1 1027 . 1 1 A 91 91 ALA CA C 91 54.382 52.693 1.689 2 1 1028 . 1 1 A 91 91 ALA CB C 91 18.837 19.418 -0.581 2 1 1029 . 1 1 A 91 91 ALA N N 91 118.589 121.673 -3.084 2 1 1030 . 1 1 A 92 92 ARG H H 92 7.354 7.778 -0.424 2 1 1031 . 1 1 A 92 92 ARG HA H 92 4.588 3.955 0.633 2 1 1038 . 1 1 A 92 92 ARG CA C 92 55.476 56.148 -0.672 2 1 1039 . 1 1 A 92 92 ARG CB C 92 30.048 29.487 0.561 2 1 1042 . 1 1 A 93 93 TRP H H 93 7.767 7.569 0.198 2 1 1043 . 1 1 A 93 93 TRP HA H 93 4.881 4.423 0.458 2 1 1050 . 1 1 A 93 93 TRP CA C 93 57.534 57.856 -0.322 2 1 1051 . 1 1 A 93 93 TRP CB C 93 29.501 28.706 0.795 2 1 1052 . 1 1 A 93 93 TRP N N 93 121.927 118.526 3.401 2 1 1054 . 1 1 A 94 94 CYS HA H 94 3.901 4.465 -0.564 2 1 1057 . 1 1 A 94 94 CYS CA C 94 59.577 58.131 1.446 2 1 1058 . 1 1 A 94 94 CYS CB C 94 43.446 42.646 0.800 2 1 1059 . 1 1 A 95 95 GLY HA2 H 95 5.122 3.958 1.164 2 1 1060 . 1 1 A 95 95 GLY HA3 H 95 3.691 3.974 -0.283 2 1 1061 . 1 1 A 95 95 GLY CA C 95 45.511 46.261 -0.750 2 1 1062 . 1 1 A 96 96 ALA H H 96 7.504 7.971 -0.467 2 1 1063 . 1 1 A 96 96 ALA HA H 96 4.412 4.390 0.022 2 1 1067 . 1 1 A 96 96 ALA CA C 96 51.699 51.669 0.030 2 1 1068 . 1 1 A 96 96 ALA CB C 96 21.025 19.553 1.472 2 1 1069 . 1 1 A 96 96 ALA N N 96 121.579 121.380 0.199 2 1 1070 . 1 1 A 97 97 ASN H H 97 7.345 8.094 -0.749 2 1 1071 . 1 1 A 97 97 ASN HA H 97 4.551 4.858 -0.307 2 1 1076 . 1 1 A 97 97 ASN CA C 97 54.929 52.869 2.060 2 1 1077 . 1 1 A 97 97 ASN CB C 97 39.071 39.719 -0.648 2 1 1079 . 1 1 A 98 98 GLY H H 98 8.890 8.392 0.498 2 1 1080 . 1 1 A 98 98 GLY HA2 H 98 3.796 3.987 -0.191 2 1 1081 . 1 1 A 98 98 GLY HA3 H 98 4.070 3.992 0.078 2 1 1082 . 1 1 A 98 98 GLY C C 98 174.160 173.976 0.184 2 1 1083 . 1 1 A 98 98 GLY CA C 98 45.841 45.395 0.446 2 1 1084 . 1 1 A 99 99 ILE H H 99 7.739 7.668 0.071 2 1 1085 . 1 1 A 99 99 ILE HA H 99 4.198 4.354 -0.156 2 1 1095 . 1 1 A 99 99 ILE C C 99 175.561 175.585 -0.024 2 1 1096 . 1 1 A 99 99 ILE CA C 99 60.671 60.038 0.633 2 1 1097 . 1 1 A 99 99 ILE CB C 99 38.524 38.147 0.377 2 1 1101 . 1 1 A 99 99 ILE N N 99 120.780 118.226 2.554 2 1 1102 . 1 1 A 100 100 ASP H H 100 8.372 8.481 -0.109 2 1 1103 . 1 1 A 100 100 ASP HA H 100 4.426 4.172 0.254 2 1 1106 . 1 1 A 100 100 ASP C C 100 176.325 177.747 -1.422 2 1 1107 . 1 1 A 100 100 ASP CA C 100 56.023 57.113 -1.090 2 1 1108 . 1 1 A 100 100 ASP CB C 100 40.985 40.680 0.305 2 1 1109 . 1 1 A 100 100 ASP N N 100 126.194 126.130 0.064 2 1 1110 . 1 1 A 101 101 LYS H H 101 8.081 7.885 0.196 2 1 1111 . 1 1 A 101 101 LYS HA H 101 4.052 4.178 -0.126 2 1 1120 . 1 1 A 101 101 LYS C C 101 175.874 177.442 -1.568 2 1 1121 . 1 1 A 101 101 LYS CA C 101 58.210 58.247 -0.037 2 1 1122 . 1 1 A 101 101 LYS CB C 101 31.689 32.274 -0.585 2 1 1126 . 1 1 A 101 101 LYS N N 101 115.366 116.811 -1.445 2 1 1127 . 1 1 A 102 102 VAL H H 102 7.631 7.565 0.066 2 1 1128 . 1 1 A 102 102 VAL HA H 102 4.419 4.069 0.350 2 1 1136 . 1 1 A 102 102 VAL C C 102 175.145 175.522 -0.377 2 1 1137 . 1 1 A 102 102 VAL CA C 102 61.919 63.051 -1.132 2 1 1138 . 1 1 A 102 102 VAL CB C 102 32.782 32.213 0.569 2 1 1141 . 1 1 A 102 102 VAL N N 102 119.362 120.270 -0.908 2 1 1142 . 1 1 A 103 103 GLU H H 103 8.489 8.468 0.021 2 1 1143 . 1 1 A 103 103 GLU HA H 103 4.931 4.968 -0.037 2 1 1148 . 1 1 A 103 103 GLU C C 103 175.943 175.357 0.586 2 1 1149 . 1 1 A 103 103 GLU CA C 103 55.140 54.763 0.377 2 1 1150 . 1 1 A 103 103 GLU CB C 103 33.329 33.644 -0.315 2 1 1152 . 1 1 A 103 103 GLU N N 103 126.581 125.891 0.690 2 1 1153 . 1 1 A 104 104 THR H H 104 8.690 8.645 0.045 2 1 1154 . 1 1 A 104 104 THR HA H 104 5.292 5.090 0.202 2 1 1159 . 1 1 A 104 104 THR C C 104 173.165 173.957 -0.792 2 1 1160 . 1 1 A 104 104 THR CA C 104 58.757 61.309 -2.552 2 1 1161 . 1 1 A 104 104 THR CB C 104 69.967 70.282 -0.315 2 1 1163 . 1 1 A 104 104 THR N N 104 114.979 118.295 -3.316 2 1 1164 . 1 1 A 105 105 LEU H H 105 8.635 9.040 -0.405 2 1 1165 . 1 1 A 105 105 LEU HA H 105 4.979 5.153 -0.174 2 1 1175 . 1 1 A 105 105 LEU C C 105 176.985 175.949 1.036 2 1 1176 . 1 1 A 105 105 LEU CA C 105 52.849 53.566 -0.717 2 1 1177 . 1 1 A 105 105 LEU CB C 105 45.633 45.659 -0.026 2 1 1181 . 1 1 A 105 105 LEU N N 105 119.233 125.566 -6.333 2 1 1182 . 1 1 A 106 106 SER H H 106 9.670 9.118 0.552 2 1 1183 . 1 1 A 106 106 SER HA H 106 5.485 5.155 0.330 2 1 1186 . 1 1 A 106 106 SER C C 106 176.256 174.250 2.006 2 1 1187 . 1 1 A 106 106 SER CA C 106 56.570 57.109 -0.539 2 1 1188 . 1 1 A 106 106 SER CB C 106 65.593 64.755 0.838 2 1 1189 . 1 1 A 106 106 SER N N 106 114.979 117.888 -2.909 2 1 1190 . 1 1 A 107 107 ASP H H 107 8.764 8.141 0.623 2 1 1191 . 1 1 A 107 107 ASP HA H 107 5.517 4.421 1.096 2 1 1194 . 1 1 A 107 107 ASP CA C 107 52.753 56.201 -3.448 2 1 1195 . 1 1 A 107 107 ASP CB C 107 45.086 42.043 3.043 2 1 1196 . 1 1 A 107 107 ASP N N 107 132.898 123.346 9.552 2 1 1197 . 1 1 A 108 108 HIS H H 108 7.940 8.245 -0.305 2 1 1198 . 1 1 A 108 108 HIS HA H 108 4.075 4.123 -0.048 2 1 1200 . 1 1 A 108 108 HIS CA C 108 59.577 59.346 0.231 2 1 1201 . 1 1 A 108 108 HIS CB C 108 29.861 29.778 0.083 2 1 1202 . 1 1 A 108 108 HIS N N 108 116.397 118.772 -2.375 2 1 1203 . 1 1 A 109 109 ARG HA H 109 4.214 3.966 0.248 2 1 1206 . 1 1 A 109 109 ARG CA C 109 59.031 58.757 0.274 2 1 1207 . 1 1 A 109 109 ARG CB C 109 27.861 30.012 -2.151 2 1 1208 . 1 1 A 110 110 ASP HA H 110 4.867 4.866 0.001 2 1 1211 . 1 1 A 110 110 ASP C C 110 175.735 175.976 -0.241 2 1 1212 . 1 1 A 110 110 ASP CA C 110 53.708 53.913 -0.205 2 1 1213 . 1 1 A 110 110 ASP CB C 110 43.875 42.850 1.025 2 1 1214 . 1 1 A 111 111 MET H H 111 7.899 8.558 -0.659 2 1 1215 . 1 1 A 111 111 MET HA H 111 4.503 4.255 0.248 2 1 1221 . 1 1 A 111 111 MET C C 111 177.332 176.067 1.265 2 1 1222 . 1 1 A 111 111 MET CA C 111 56.570 56.880 -0.310 2 1 1223 . 1 1 A 111 111 MET CB C 111 30.868 31.236 -0.368 2 1 1226 . 1 1 A 111 111 MET N N 111 116.397 117.934 -1.537 2 1 1227 . 1 1 A 112 112 SER H H 112 7.931 8.058 -0.127 2 1 1228 . 1 1 A 112 112 SER HA H 112 4.248 4.152 0.096 2 1 1231 . 1 1 A 112 112 SER C C 112 179.173 176.092 3.081 2 1 1232 . 1 1 A 112 112 SER CA C 112 60.945 62.308 -1.363 2 1 1233 . 1 1 A 112 112 SER CB C 112 64.499 63.131 1.368 2 1 1234 . 1 1 A 112 112 SER N N 112 113.561 115.059 -1.498 2 1 1235 . 1 1 A 113 113 PHE H H 113 10.125 8.187 1.938 2 1 1236 . 1 1 A 113 113 PHE HA H 113 3.593 3.968 -0.375 2 1 1241 . 1 1 A 113 113 PHE C C 113 177.437 177.847 -0.410 2 1 1242 . 1 1 A 113 113 PHE CA C 113 62.312 61.287 1.025 2 1 1243 . 1 1 A 113 113 PHE CB C 113 37.704 38.575 -0.871 2 1 1244 . 1 1 A 113 113 PHE N N 113 125.550 122.459 3.091 2 1 1245 . 1 1 A 114 114 GLY H H 114 10.707 8.844 1.863 2 1 1246 . 1 1 A 114 114 GLY HA2 H 114 3.396 3.643 -0.247 2 1 1247 . 1 1 A 114 114 GLY HA3 H 114 3.218 3.736 -0.518 2 1 1248 . 1 1 A 114 114 GLY C C 114 175.735 175.773 -0.038 2 1 1249 . 1 1 A 114 114 GLY CA C 114 48.641 47.310 1.331 2 1 1250 . 1 1 A 114 114 GLY N N 114 109.178 105.523 3.655 2 1 1251 . 1 1 A 115 115 GLU H H 115 8.251 8.295 -0.044 2 1 1252 . 1 1 A 115 115 GLU HA H 115 4.431 4.180 0.251 2 1 1257 . 1 1 A 115 115 GLU C C 115 178.756 178.679 0.077 2 1 1258 . 1 1 A 115 115 GLU CA C 115 59.031 59.300 -0.269 2 1 1259 . 1 1 A 115 115 GLU CB C 115 29.775 29.350 0.425 2 1 1261 . 1 1 A 115 115 GLU N N 115 120.522 121.521 -0.999 2 1 1262 . 1 1 A 116 116 ALA H H 116 7.895 8.164 -0.269 2 1 1263 . 1 1 A 116 116 ALA HA H 116 4.111 4.032 0.079 2 1 1267 . 1 1 A 116 116 ALA C C 116 177.610 179.055 -1.445 2 1 1268 . 1 1 A 116 116 ALA CA C 116 55.476 54.866 0.610 2 1 1269 . 1 1 A 116 116 ALA CB C 116 18.838 18.345 0.493 2 1 1270 . 1 1 A 116 116 ALA N N 116 123.100 122.120 0.980 2 1 1271 . 1 1 A 117 117 PHE H H 117 8.161 7.743 0.418 2 1 1272 . 1 1 A 117 117 PHE HA H 117 4.262 4.389 -0.127 2 1 1277 . 1 1 A 117 117 PHE C C 117 175.353 175.580 -0.227 2 1 1278 . 1 1 A 117 117 PHE CA C 117 56.843 57.392 -0.549 2 1 1279 . 1 1 A 117 117 PHE CB C 117 38.251 38.580 -0.329 2 1 1280 . 1 1 A 117 117 PHE N N 117 113.432 112.862 0.570 2 1 1281 . 1 1 A 118 118 GLY H H 118 7.685 7.741 -0.056 2 1 1282 . 1 1 A 118 118 GLY HA2 H 118 3.544 4.001 -0.457 2 1 1283 . 1 1 A 118 118 GLY HA3 H 118 4.362 4.019 0.343 2 1 1284 . 1 1 A 118 118 GLY C C 118 174.901 175.435 -0.534 2 1 1285 . 1 1 A 118 118 GLY CA C 118 47.274 46.511 0.763 2 1 1286 . 1 1 A 118 118 GLY N N 118 112.143 108.180 3.963 2 1 1287 . 1 1 A 119 119 VAL H H 119 8.380 8.089 0.291 2 1 1288 . 1 1 A 119 119 VAL HA H 119 4.788 4.496 0.292 2 1 1296 . 1 1 A 119 119 VAL C C 119 174.901 175.882 -0.981 2 1 1297 . 1 1 A 119 119 VAL CA C 119 59.532 62.903 -3.371 2 1 1298 . 1 1 A 119 119 VAL CB C 119 32.509 32.260 0.249 2 1 1301 . 1 1 A 119 119 VAL N N 119 102.475 118.180 -15.705 2 1 1302 . 1 1 A 120 120 TYR H H 120 6.841 7.746 -0.905 2 1 1303 . 1 1 A 120 120 TYR HA H 120 4.484 4.614 -0.130 2 1 1308 . 1 1 A 120 120 TYR C C 120 173.443 175.248 -1.805 2 1 1309 . 1 1 A 120 120 TYR CA C 120 54.929 57.645 -2.716 2 1 1310 . 1 1 A 120 120 TYR CB C 120 37.704 38.635 -0.931 2 1 1311 . 1 1 A 120 120 TYR N N 120 124.518 124.600 -0.082 2 1 1312 . 1 1 A 121 121 ILE H H 121 9.244 9.080 0.164 2 1 1313 . 1 1 A 121 121 ILE HA H 121 4.419 4.036 0.383 2 1 1323 . 1 1 A 121 121 ILE C C 121 176.221 176.449 -0.228 2 1 1324 . 1 1 A 121 121 ILE CA C 121 62.014 62.048 -0.034 2 1 1325 . 1 1 A 121 121 ILE CB C 121 37.704 37.397 0.307 2 1 1329 . 1 1 A 121 121 ILE N N 121 128.772 128.644 0.128 2 1 1330 . 1 1 A 122 122 LYS H H 122 9.328 8.904 0.424 2 1 1331 . 1 1 A 122 122 LYS HA H 122 3.588 3.587 0.001 2 1 1340 . 1 1 A 122 122 LYS C C 122 179.069 177.930 1.139 2 1 1341 . 1 1 A 122 122 LYS CA C 122 60.124 59.697 0.427 2 1 1342 . 1 1 A 122 122 LYS CB C 122 33.329 32.126 1.203 2 1 1346 . 1 1 A 122 122 LYS N N 122 134.955 129.350 5.605 2 1 1347 . 1 1 A 123 123 GLU H H 123 10.228 7.845 2.383 2 1 1348 . 1 1 A 123 123 GLU HA H 123 3.919 4.167 -0.248 2 1 1353 . 1 1 A 123 123 GLU C C 123 176.638 177.941 -1.303 2 1 1354 . 1 1 A 123 123 GLU CA C 123 61.218 58.030 3.188 2 1 1355 . 1 1 A 123 123 GLU CB C 123 29.228 29.984 -0.756 2 1 1357 . 1 1 A 123 123 GLU N N 123 115.624 118.184 -2.560 2 1 1358 . 1 1 A 124 124 LEU H H 124 6.480 7.689 -1.209 2 1 1359 . 1 1 A 124 124 LEU HA H 124 4.464 4.276 0.188 2 1 1369 . 1 1 A 124 124 LEU C C 124 175.403 176.406 -1.003 2 1 1370 . 1 1 A 124 124 LEU CA C 124 53.562 55.703 -2.141 2 1 1371 . 1 1 A 124 124 LEU CB C 124 44.813 43.122 1.691 2 1 1375 . 1 1 A 124 124 LEU N N 124 110.434 120.641 -10.207 2 1 1376 . 1 1 A 125 125 ARG H H 125 8.701 7.733 0.968 2 1 1377 . 1 1 A 125 125 ARG HA H 125 3.783 4.005 -0.222 2 1 1380 . 1 1 A 125 125 ARG C C 125 173.029 174.790 -1.761 2 1 1381 . 1 1 A 125 125 ARG CA C 125 57.664 57.124 0.540 2 1 1382 . 1 1 A 125 125 ARG CB C 125 30.965 27.840 3.125 2 1 1383 . 1 1 A 125 125 ARG N N 125 121.940 117.806 4.134 2 1 1384 . 1 1 A 126 126 LEU H H 126 6.671 7.580 -0.909 2 1 1385 . 1 1 A 126 126 LEU HA H 126 4.621 4.890 -0.269 2 1 1395 . 1 1 A 126 126 LEU C C 126 174.203 175.522 -1.319 2 1 1396 . 1 1 A 126 126 LEU CA C 126 51.922 53.268 -1.346 2 1 1397 . 1 1 A 126 126 LEU CB C 126 46.727 45.509 1.218 2 1 1401 . 1 1 A 126 126 LEU N N 126 111.885 119.422 -7.537 2 1 1402 . 1 1 A 127 127 LEU H H 127 8.447 8.657 -0.210 2 1 1403 . 1 1 A 127 127 LEU HA H 127 5.153 4.672 0.481 2 1 1413 . 1 1 A 127 127 LEU C C 127 175.145 177.172 -2.027 2 1 1414 . 1 1 A 127 127 LEU CA C 127 52.742 54.700 -1.958 2 1 1415 . 1 1 A 127 127 LEU CB C 127 43.172 42.552 0.620 2 1 1419 . 1 1 A 127 127 LEU N N 127 118.983 122.327 -3.344 2 1 1420 . 1 1 A 128 128 ALA H H 128 9.160 8.887 0.273 2 1 1421 . 1 1 A 128 128 ALA HA H 128 3.843 4.456 -0.613 2 1 1425 . 1 1 A 128 128 ALA C C 128 176.603 177.132 -0.529 2 1 1426 . 1 1 A 128 128 ALA CA C 128 52.469 52.314 0.155 2 1 1427 . 1 1 A 128 128 ALA CB C 128 18.291 19.425 -1.134 2 1 1428 . 1 1 A 128 128 ALA N N 128 121.682 127.107 -5.425 2 1 1429 . 1 1 A 129 129 ARG H H 129 6.254 8.685 -2.431 2 1 1430 . 1 1 A 129 129 ARG HA H 129 4.700 4.808 -0.108 2 1 1436 . 1 1 A 129 129 ARG C C 129 176.534 175.279 1.255 2 1 1437 . 1 1 A 129 129 ARG CA C 129 55.651 56.233 -0.582 2 1 1438 . 1 1 A 129 129 ARG CB C 129 29.775 30.835 -1.060 2 1 1441 . 1 1 A 129 129 ARG N N 129 120.393 123.082 -2.689 2 1 1442 . 1 1 A 130 130 SER H H 130 8.398 8.679 -0.281 2 1 1443 . 1 1 A 130 130 SER HA H 130 4.767 4.961 -0.194 2 1 1446 . 1 1 A 130 130 SER C C 130 172.957 172.560 0.397 2 1 1447 . 1 1 A 130 130 SER CA C 130 57.658 57.407 0.251 2 1 1448 . 1 1 A 130 130 SER CB C 130 63.679 67.047 -3.368 2 1 1449 . 1 1 A 130 130 SER N N 130 120.264 121.420 -1.156 2 1 1450 . 1 1 A 131 131 VAL H H 131 7.838 8.024 -0.186 2 1 1451 . 1 1 A 131 131 VAL HA H 131 5.086 4.935 0.151 2 1 1459 . 1 1 A 131 131 VAL C C 131 172.853 173.421 -0.568 2 1 1460 . 1 1 A 131 131 VAL CA C 131 60.746 59.980 0.766 2 1 1461 . 1 1 A 131 131 VAL CB C 131 36.610 35.482 1.128 2 1 1464 . 1 1 A 131 131 VAL N N 131 118.460 118.992 -0.532 2 1 1465 . 1 1 A 132 132 PHE H H 132 9.259 9.390 -0.131 2 1 1466 . 1 1 A 132 132 PHE HA H 132 5.583 5.531 0.052 2 1 1470 . 1 1 A 132 132 PHE C C 132 174.797 174.911 -0.114 2 1 1471 . 1 1 A 132 132 PHE CA C 132 56.296 56.212 0.084 2 1 1472 . 1 1 A 132 132 PHE CB C 132 44.539 43.878 0.661 2 1 1473 . 1 1 A 132 132 PHE N N 132 121.682 123.795 -2.113 2 1 1474 . 1 1 A 133 133 VAL H H 133 8.907 8.748 0.159 2 1 1475 . 1 1 A 133 133 VAL HA H 133 5.331 5.115 0.216 2 1 1483 . 1 1 A 133 133 VAL C C 133 174.450 175.061 -0.611 2 1 1484 . 1 1 A 133 133 VAL CA C 133 61.491 60.610 0.881 2 1 1485 . 1 1 A 133 133 VAL CB C 133 34.696 35.929 -1.233 2 1 1488 . 1 1 A 133 133 VAL N N 133 119.878 120.097 -0.219 2 1 1489 . 1 1 A 134 134 LEU H H 134 9.976 9.212 0.764 2 1 1490 . 1 1 A 134 134 LEU HA H 134 5.680 5.265 0.415 2 1 1500 . 1 1 A 134 134 LEU C C 134 176.777 175.347 1.430 2 1 1501 . 1 1 A 134 134 LEU CA C 134 52.195 53.525 -1.330 2 1 1502 . 1 1 A 134 134 LEU CB C 134 44.813 45.809 -0.996 2 1 1506 . 1 1 A 134 134 LEU N N 134 129.417 126.587 2.830 2 1 1507 . 1 1 A 135 135 ASP H H 135 9.051 9.194 -0.143 2 1 1508 . 1 1 A 135 135 ASP HA H 135 4.708 4.734 -0.026 2 1 1511 . 1 1 A 135 135 ASP C C 135 177.193 177.333 -0.140 2 1 1512 . 1 1 A 135 135 ASP CA C 135 52.276 53.661 -1.385 2 1 1513 . 1 1 A 135 135 ASP CB C 135 40.711 42.051 -1.340 2 1 1514 . 1 1 A 135 135 ASP N N 135 119.362 124.750 -5.388 2 1 1515 . 1 1 A 136 136 GLU H H 136 9.970 8.904 1.066 2 1 1516 . 1 1 A 136 136 GLU HA H 136 3.953 4.062 -0.109 2 1 1521 . 1 1 A 136 136 GLU C C 136 177.055 177.966 -0.911 2 1 1522 . 1 1 A 136 136 GLU CA C 136 58.757 59.425 -0.668 2 1 1523 . 1 1 A 136 136 GLU CB C 136 28.681 29.354 -0.673 2 1 1525 . 1 1 A 136 136 GLU N N 136 116.011 123.303 -7.292 2 1 1526 . 1 1 A 137 137 ASN H H 137 8.514 8.340 0.174 2 1 1527 . 1 1 A 137 137 ASN HA H 137 5.026 4.754 0.272 2 1 1532 . 1 1 A 137 137 ASN C C 137 175.943 176.014 -0.071 2 1 1533 . 1 1 A 137 137 ASN CA C 137 52.753 52.920 -0.167 2 1 1534 . 1 1 A 137 137 ASN CB C 137 40.164 38.465 1.699 2 1 1535 . 1 1 A 137 137 ASN N N 137 117.042 115.041 2.001 2 1 1537 . 1 1 A 138 138 GLY H H 138 8.430 8.451 -0.021 2 1 1538 . 1 1 A 138 138 GLY HA2 H 138 3.690 3.997 -0.307 2 1 1539 . 1 1 A 138 138 GLY HA3 H 138 4.213 4.028 0.185 2 1 1540 . 1 1 A 138 138 GLY C C 138 172.436 174.416 -1.980 2 1 1541 . 1 1 A 138 138 GLY CA C 138 46.180 45.390 0.790 2 1 1542 . 1 1 A 138 138 GLY N N 138 109.565 108.847 0.718 2 1 1543 . 1 1 A 139 139 LYS H H 139 8.573 8.001 0.572 2 1 1544 . 1 1 A 139 139 LYS HA H 139 4.472 4.338 0.134 2 1 1553 . 1 1 A 139 139 LYS C C 139 176.742 175.797 0.945 2 1 1554 . 1 1 A 139 139 LYS CA C 139 56.195 56.223 -0.028 2 1 1555 . 1 1 A 139 139 LYS CB C 139 32.782 33.135 -0.353 2 1 1559 . 1 1 A 139 139 LYS N N 139 123.358 122.128 1.230 2 1 1560 . 1 1 A 140 140 VAL H H 140 9.102 8.595 0.507 2 1 1561 . 1 1 A 140 140 VAL HA H 140 4.293 4.450 -0.157 2 1 1569 . 1 1 A 140 140 VAL C C 140 177.124 176.183 0.941 2 1 1570 . 1 1 A 140 140 VAL CA C 140 63.952 62.405 1.547 2 1 1571 . 1 1 A 140 140 VAL CB C 140 31.142 32.325 -1.183 2 1 1574 . 1 1 A 140 140 VAL N N 140 125.292 124.663 0.629 2 1 1575 . 1 1 A 141 141 VAL H H 141 9.332 9.398 -0.066 2 1 1576 . 1 1 A 141 141 VAL HA H 141 4.670 4.385 0.285 2 1 1584 . 1 1 A 141 141 VAL C C 141 175.249 175.342 -0.093 2 1 1585 . 1 1 A 141 141 VAL CA C 141 61.491 63.005 -1.514 2 1 1586 . 1 1 A 141 141 VAL CB C 141 32.509 33.249 -0.740 2 1 1589 . 1 1 A 141 141 VAL N N 141 124.261 124.419 -0.158 2 1 1590 . 1 1 A 142 142 TYR H H 142 7.959 7.554 0.405 2 1 1591 . 1 1 A 142 142 TYR HA H 142 4.389 4.817 -0.428 2 1 1596 . 1 1 A 142 142 TYR C C 142 172.262 173.498 -1.236 2 1 1597 . 1 1 A 142 142 TYR CA C 142 58.757 58.055 0.702 2 1 1598 . 1 1 A 142 142 TYR CB C 142 41.805 41.673 0.132 2 1 1599 . 1 1 A 142 142 TYR N N 142 122.198 121.344 0.854 2 1 1600 . 1 1 A 143 143 ALA H H 143 7.642 7.904 -0.262 2 1 1601 . 1 1 A 143 143 ALA HA H 143 4.883 4.946 -0.063 2 1 1605 . 1 1 A 143 143 ALA C C 143 175.353 175.113 0.240 2 1 1606 . 1 1 A 143 143 ALA CA C 143 51.703 51.419 0.284 2 1 1607 . 1 1 A 143 143 ALA CB C 143 22.666 22.691 -0.025 2 1 1608 . 1 1 A 143 143 ALA N N 143 129.804 128.655 1.149 2 1 1609 . 1 1 A 144 144 GLU H H 144 8.292 8.223 0.069 2 1 1610 . 1 1 A 144 144 GLU HA H 144 4.297 4.755 -0.458 2 1 1615 . 1 1 A 144 144 GLU C C 144 173.860 173.832 0.028 2 1 1616 . 1 1 A 144 144 GLU CA C 144 56.296 55.282 1.014 2 1 1617 . 1 1 A 144 144 GLU CB C 144 32.509 33.741 -1.232 2 1 1619 . 1 1 A 144 144 GLU N N 144 122.198 121.527 0.671 2 1 1620 . 1 1 A 145 145 TYR H H 145 9.006 9.051 -0.045 2 1 1621 . 1 1 A 145 145 TYR HA H 145 4.125 5.099 -0.974 2 1 1626 . 1 1 A 145 145 TYR C C 145 175.164 175.243 -0.079 2 1 1627 . 1 1 A 145 145 TYR CA C 145 57.117 56.766 0.351 2 1 1628 . 1 1 A 145 145 TYR CB C 145 38.251 40.236 -1.985 2 1 1629 . 1 1 A 145 145 TYR N N 145 128.128 124.335 3.793 2 1 1630 . 1 1 A 146 146 VAL H H 146 7.441 8.773 -1.332 2 1 1631 . 1 1 A 146 146 VAL HA H 146 3.672 4.051 -0.379 2 1 1639 . 1 1 A 146 146 VAL C C 146 176.777 176.467 0.310 2 1 1640 . 1 1 A 146 146 VAL CA C 146 64.226 63.465 0.761 2 1 1641 . 1 1 A 146 146 VAL CB C 146 30.868 31.983 -1.115 2 1 1644 . 1 1 A 146 146 VAL N N 146 125.808 126.029 -0.221 2 1 1645 . 1 1 A 147 147 SER H H 147 8.359 8.643 -0.284 2 1 1646 . 1 1 A 147 147 SER HA H 147 4.007 4.348 -0.341 2 1 1649 . 1 1 A 147 147 SER C C 147 172.123 174.701 -2.578 2 1 1650 . 1 1 A 147 147 SER CA C 147 63.132 60.954 2.178 2 1 1651 . 1 1 A 147 147 SER CB C 147 62.859 63.116 -0.257 2 1 1652 . 1 1 A 147 147 SER N N 147 121.425 120.944 0.481 2 1 1653 . 1 1 A 148 148 GLU H H 148 7.177 7.949 -0.772 2 1 1654 . 1 1 A 148 148 GLU HA H 148 5.055 4.871 0.184 2 1 1659 . 1 1 A 148 148 GLU C C 148 176.082 176.365 -0.283 2 1 1660 . 1 1 A 148 148 GLU CA C 148 52.563 55.307 -2.744 2 1 1661 . 1 1 A 148 148 GLU CB C 148 29.774 31.825 -2.051 2 1 1663 . 1 1 A 148 148 GLU N N 148 119.620 120.717 -1.097 2 1 1664 . 1 1 A 149 149 ALA H H 149 9.142 9.374 -0.232 2 1 1665 . 1 1 A 149 149 ALA HA H 149 4.704 4.044 0.660 2 1 1669 . 1 1 A 149 149 ALA C C 149 177.437 178.520 -1.083 2 1 1670 . 1 1 A 149 149 ALA CA C 149 54.466 54.941 -0.475 2 1 1671 . 1 1 A 149 149 ALA CB C 149 19.111 18.554 0.557 2 1 1672 . 1 1 A 149 149 ALA N N 149 127.741 129.419 -1.678 2 1 1673 . 1 1 A 150 150 THR H H 150 8.200 7.538 0.662 2 1 1674 . 1 1 A 150 150 THR HA H 150 4.393 4.300 0.093 2 1 1679 . 1 1 A 150 150 THR C C 150 174.554 173.778 0.776 2 1 1680 . 1 1 A 150 150 THR CA C 150 62.312 62.280 0.032 2 1 1681 . 1 1 A 150 150 THR CB C 150 69.694 69.132 0.562 2 1 1683 . 1 1 A 150 150 THR N N 150 104.453 106.999 -2.546 2 1 1684 . 1 1 A 151 151 ASN H H 151 7.984 7.589 0.395 2 1 1685 . 1 1 A 151 151 ASN HA H 151 4.947 5.079 -0.132 2 1 1690 . 1 1 A 151 151 ASN C C 151 174.554 173.810 0.744 2 1 1691 . 1 1 A 151 151 ASN CA C 151 51.135 51.541 -0.406 2 1 1692 . 1 1 A 151 151 ASN CB C 151 39.344 41.555 -2.211 2 1 1693 . 1 1 A 151 151 ASN N N 151 123.487 120.513 2.974 2 1 1695 . 1 1 A 152 152 HIS H H 152 8.160 8.601 -0.441 2 1 1696 . 1 1 A 152 152 HIS HA H 152 4.731 5.301 -0.570 2 1 1700 . 1 1 A 152 152 HIS C C 152 174.381 173.435 0.946 2 1 1701 . 1 1 A 152 152 HIS CA C 152 54.854 53.497 1.357 2 1 1702 . 1 1 A 152 152 HIS CB C 152 31.415 32.246 -0.831 2 1 1703 . 1 1 A 152 152 HIS N N 152 116.139 116.504 -0.365 2 1 1704 . 1 1 A 153 153 PRO HA H 153 4.335 4.510 -0.175 2 1 1709 . 1 1 A 153 153 PRO C C 153 173.894 176.280 -2.386 2 1 1710 . 1 1 A 153 153 PRO CA C 153 61.491 62.216 -0.725 2 1 1711 . 1 1 A 153 153 PRO CB C 153 32.782 32.645 0.137 2 1 1714 . 1 1 A 154 154 ASN H H 154 9.511 8.626 0.885 2 1 1715 . 1 1 A 154 154 ASN HA H 154 4.306 4.783 -0.477 2 1 1720 . 1 1 A 154 154 ASN C C 154 176.568 176.021 0.547 2 1 1721 . 1 1 A 154 154 ASN CA C 154 54.656 52.724 1.932 2 1 1722 . 1 1 A 154 154 ASN CB C 154 39.071 38.946 0.125 2 1 1723 . 1 1 A 154 154 ASN N N 154 118.718 119.647 -0.929 2 1 1725 . 1 1 A 155 155 TYR H H 155 8.691 8.269 0.422 2 1 1726 . 1 1 A 155 155 TYR HA H 155 4.364 4.329 0.035 2 1 1731 . 1 1 A 155 155 TYR C C 155 176.256 176.826 -0.570 2 1 1732 . 1 1 A 155 155 TYR CA C 155 59.304 58.517 0.787 2 1 1733 . 1 1 A 155 155 TYR CB C 155 39.344 38.311 1.033 2 1 1734 . 1 1 A 155 155 TYR N N 155 125.421 124.990 0.431 2 1 1735 . 1 1 A 156 156 GLU H H 156 8.200 8.030 0.170 2 1 1736 . 1 1 A 156 156 GLU HA H 156 4.415 4.112 0.303 2 1 1741 . 1 1 A 156 156 GLU C C 156 178.583 178.850 -0.267 2 1 1742 . 1 1 A 156 156 GLU CA C 156 58.757 58.950 -0.193 2 1 1743 . 1 1 A 156 156 GLU CB C 156 30.868 29.344 1.524 2 1 1745 . 1 1 A 156 156 GLU N N 156 119.878 121.605 -1.727 2 1 1746 . 1 1 A 157 157 LYS H H 157 8.718 7.697 1.021 2 1 1747 . 1 1 A 157 157 LYS HA H 157 4.095 4.003 0.092 2 1 1756 . 1 1 A 157 157 LYS C C 157 176.152 175.360 0.792 2 1 1757 . 1 1 A 157 157 LYS CA C 157 60.398 61.303 -0.905 2 1 1758 . 1 1 A 157 157 LYS CB C 157 30.595 30.804 -0.209 2 1 1762 . 1 1 A 157 157 LYS N N 157 121.167 119.714 1.453 2 1 1763 . 1 1 A 158 158 PRO HA H 158 3.116 3.769 -0.653 2 1 1770 . 1 1 A 158 158 PRO C C 158 177.853 179.388 -1.535 2 1 1771 . 1 1 A 158 158 PRO CA C 158 65.319 64.857 0.462 2 1 1772 . 1 1 A 158 158 PRO CB C 158 30.595 30.475 0.120 2 1 1775 . 1 1 A 159 159 ILE H H 159 6.215 7.243 -1.028 2 1 1776 . 1 1 A 159 159 ILE HA H 159 3.594 3.878 -0.284 2 1 1786 . 1 1 A 159 159 ILE C C 159 177.610 177.725 -0.115 2 1 1787 . 1 1 A 159 159 ILE CA C 159 62.312 64.362 -2.050 2 1 1788 . 1 1 A 159 159 ILE CB C 159 35.516 37.956 -2.440 2 1 1792 . 1 1 A 159 159 ILE N N 159 113.948 116.523 -2.575 2 1 1793 . 1 1 A 160 160 GLU H H 160 7.572 8.627 -1.055 2 1 1794 . 1 1 A 160 160 GLU HA H 160 3.876 4.010 -0.134 2 1 1799 . 1 1 A 160 160 GLU C C 160 179.277 179.306 -0.029 2 1 1800 . 1 1 A 160 160 GLU CA C 160 59.304 59.377 -0.073 2 1 1801 . 1 1 A 160 160 GLU CB C 160 29.774 29.200 0.574 2 1 1803 . 1 1 A 160 160 GLU N N 160 119.104 120.329 -1.225 2 1 1804 . 1 1 A 161 161 ALA H H 161 7.902 7.958 -0.056 2 1 1805 . 1 1 A 161 161 ALA HA H 161 4.137 4.195 -0.058 2 1 1809 . 1 1 A 161 161 ALA C C 161 179.485 180.086 -0.601 2 1 1810 . 1 1 A 161 161 ALA CA C 161 54.656 55.032 -0.376 2 1 1811 . 1 1 A 161 161 ALA CB C 161 18.017 18.042 -0.025 2 1 1812 . 1 1 A 161 161 ALA N N 161 120.393 123.328 -2.935 2 1 1813 . 1 1 A 162 162 ALA H H 162 7.734 7.984 -0.250 2 1 1814 . 1 1 A 162 162 ALA HA H 162 3.950 4.102 -0.152 2 1 1818 . 1 1 A 162 162 ALA C C 162 179.485 179.651 -0.166 2 1 1819 . 1 1 A 162 162 ALA CA C 162 54.656 55.222 -0.566 2 1 1820 . 1 1 A 162 162 ALA CB C 162 19.111 18.156 0.955 2 1 1821 . 1 1 A 162 162 ALA N N 162 118.202 120.927 -2.725 2 1 1822 . 1 1 A 163 163 LYS H H 163 8.760 8.477 0.283 2 1 1823 . 1 1 A 163 163 LYS HA H 163 3.842 4.008 -0.166 2 1 1832 . 1 1 A 163 163 LYS C C 163 178.201 179.385 -1.184 2 1 1833 . 1 1 A 163 163 LYS CA C 163 59.578 59.246 0.332 2 1 1834 . 1 1 A 163 163 LYS CB C 163 32.782 32.097 0.685 2 1 1838 . 1 1 A 163 163 LYS N N 163 118.202 116.936 1.266 2 1 1839 . 1 1 A 164 164 ALA H H 164 7.216 8.327 -1.111 2 1 1840 . 1 1 A 164 164 ALA HA H 164 4.215 4.106 0.109 2 1 1844 . 1 1 A 164 164 ALA C C 164 178.339 179.987 -1.648 2 1 1845 . 1 1 A 164 164 ALA CA C 164 53.836 54.852 -1.016 2 1 1846 . 1 1 A 164 164 ALA CB C 164 18.291 18.501 -0.210 2 1 1847 . 1 1 A 164 164 ALA N N 164 117.557 121.753 -4.196 2 1 1848 . 1 1 A 165 165 LEU H H 165 7.503 7.821 -0.318 2 1 1849 . 1 1 A 165 165 LEU HA H 165 4.432 4.163 0.269 2 1 1859 . 1 1 A 165 165 LEU C C 165 177.714 178.973 -1.259 2 1 1860 . 1 1 A 165 165 LEU CA C 165 54.929 57.497 -2.568 2 1 1861 . 1 1 A 165 165 LEU CB C 165 44.256 42.219 2.037 2 1 1865 . 1 1 A 165 165 LEU N N 165 115.753 119.790 -4.037 2 1 1866 . 1 1 A 166 166 VAL H H 166 7.337 8.189 -0.852 2 1 1867 . 1 1 A 166 166 VAL HA H 166 4.103 3.559 0.544 2 1 1875 . 1 1 A 166 166 VAL C C 166 175.040 177.291 -2.251 2 1 1876 . 1 1 A 166 166 VAL CA C 166 62.859 66.752 -3.893 2 1 1877 . 1 1 A 166 166 VAL CB C 166 32.509 31.669 0.840 2 1 1880 . 1 1 A 166 166 VAL N N 166 118.589 118.175 0.414 2 stop_ save_