data_16465_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16465 _Entry.PDB_ID 2KNE _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 9 . 1 1 1 A 2 2 ASP H H 2 8.220 8.618 -0.398 1 1 10 . 1 1 1 A 2 2 ASP HA H 2 4.500 4.634 -0.134 1 1 13 . 1 1 1 A 2 2 ASP CA C 2 54.750 53.797 0.953 1 1 14 . 1 1 1 A 2 2 ASP CB C 2 41.350 40.048 1.302 1 1 15 . 1 1 1 A 2 2 ASP N N 2 121.760 120.831 0.929 1 1 16 . 1 1 1 A 3 3 GLN H H 3 8.320 7.794 0.526 1 1 17 . 1 1 1 A 3 3 GLN HA H 3 4.240 4.692 -0.452 1 1 24 . 1 1 1 A 3 3 GLN CA C 3 55.750 54.840 0.910 1 1 25 . 1 1 1 A 3 3 GLN CB C 3 29.700 28.926 0.774 1 1 27 . 1 1 1 A 3 3 GLN N N 3 119.800 119.501 0.299 1 1 29 . 1 1 1 A 4 4 LEU H H 4 8.250 8.543 -0.293 1 1 30 . 1 1 1 A 4 4 LEU HA H 4 4.540 4.579 -0.039 1 1 40 . 1 1 1 A 4 4 LEU C C 4 175.740 176.701 -0.961 1 1 41 . 1 1 1 A 4 4 LEU CA C 4 54.600 54.118 0.482 1 1 42 . 1 1 1 A 4 4 LEU CB C 4 43.600 43.420 0.180 1 1 46 . 1 1 1 A 4 4 LEU N N 4 123.100 125.860 -2.760 1 1 47 . 1 1 1 A 5 5 THR H H 5 8.680 7.636 1.044 1 1 48 . 1 1 1 A 5 5 THR HA H 5 4.350 4.318 0.032 1 1 53 . 1 1 1 A 5 5 THR C C 5 175.750 175.298 0.452 1 1 54 . 1 1 1 A 5 5 THR CA C 5 60.500 61.076 -0.576 1 1 55 . 1 1 1 A 5 5 THR CB C 5 71.100 70.174 0.926 1 1 57 . 1 1 1 A 5 5 THR N N 5 112.700 111.667 1.033 1 1 58 . 1 1 1 A 6 6 GLU H H 6 8.950 8.989 -0.039 1 1 59 . 1 1 1 A 6 6 GLU HA H 6 3.880 3.940 -0.060 1 1 64 . 1 1 1 A 6 6 GLU C C 6 177.790 178.130 -0.340 1 1 65 . 1 1 1 A 6 6 GLU CA C 6 60.200 60.038 0.162 1 1 66 . 1 1 1 A 6 6 GLU CB C 6 29.300 29.551 -0.251 1 1 68 . 1 1 1 A 6 6 GLU N N 6 119.950 123.572 -3.622 1 1 69 . 1 1 1 A 7 7 GLU H H 7 8.660 8.432 0.228 1 1 70 . 1 1 1 A 7 7 GLU HA H 7 3.940 4.114 -0.174 1 1 75 . 1 1 1 A 7 7 GLU C C 7 175.460 178.384 -2.924 1 1 76 . 1 1 1 A 7 7 GLU CA C 7 60.200 59.325 0.875 1 1 77 . 1 1 1 A 7 7 GLU CB C 7 29.100 29.052 0.048 1 1 79 . 1 1 1 A 7 7 GLU N N 7 119.250 117.639 1.611 1 1 80 . 1 1 1 A 8 8 GLN H H 8 7.670 7.558 0.112 1 1 81 . 1 1 1 A 8 8 GLN HA H 8 3.760 4.001 -0.241 1 1 88 . 1 1 1 A 8 8 GLN C C 8 179.600 178.968 0.632 1 1 89 . 1 1 1 A 8 8 GLN CA C 8 58.800 58.510 0.290 1 1 90 . 1 1 1 A 8 8 GLN CB C 8 29.300 28.460 0.840 1 1 92 . 1 1 1 A 8 8 GLN N N 8 120.000 119.123 0.877 1 1 94 . 1 1 1 A 9 9 ILE H H 9 8.280 8.943 -0.663 1 1 95 . 1 1 1 A 9 9 ILE HA H 9 3.580 3.944 -0.364 1 1 105 . 1 1 1 A 9 9 ILE C C 9 179.270 177.909 1.361 1 1 106 . 1 1 1 A 9 9 ILE CA C 9 66.400 65.743 0.657 1 1 107 . 1 1 1 A 9 9 ILE CB C 9 38.100 37.989 0.111 1 1 111 . 1 1 1 A 9 9 ILE N N 9 119.400 121.134 -1.734 1 1 112 . 1 1 1 A 10 10 ALA H H 10 7.950 8.156 -0.206 1 1 113 . 1 1 1 A 10 10 ALA HA H 10 4.020 3.987 0.033 1 1 117 . 1 1 1 A 10 10 ALA C C 10 178.490 179.915 -1.425 1 1 118 . 1 1 1 A 10 10 ALA CA C 10 55.400 55.817 -0.417 1 1 119 . 1 1 1 A 10 10 ALA CB C 10 17.950 18.311 -0.361 1 1 120 . 1 1 1 A 10 10 ALA N N 10 121.000 122.264 -1.264 1 1 121 . 1 1 1 A 11 11 GLU H H 11 7.730 7.894 -0.164 1 1 122 . 1 1 1 A 11 11 GLU HA H 11 4.030 3.954 0.076 1 1 127 . 1 1 1 A 11 11 GLU C C 11 177.860 179.408 -1.548 1 1 128 . 1 1 1 A 11 11 GLU CA C 11 59.500 59.188 0.312 1 1 129 . 1 1 1 A 11 11 GLU CB C 11 29.500 29.564 -0.064 1 1 131 . 1 1 1 A 11 11 GLU N N 11 119.700 118.301 1.399 1 1 132 . 1 1 1 A 12 12 PHE H H 12 8.470 8.218 0.252 1 1 133 . 1 1 1 A 12 12 PHE HA H 12 4.910 4.335 0.575 1 1 141 . 1 1 1 A 12 12 PHE C C 12 181.140 178.011 3.129 1 1 142 . 1 1 1 A 12 12 PHE CA C 12 59.200 61.732 -2.532 1 1 143 . 1 1 1 A 12 12 PHE CB C 12 37.700 38.667 -0.967 1 1 149 . 1 1 1 A 12 12 PHE N N 12 119.900 119.403 0.497 1 1 150 . 1 1 1 A 13 13 LYS H H 13 9.180 8.369 0.811 1 1 151 . 1 1 1 A 13 13 LYS HA H 13 3.860 3.773 0.087 1 1 160 . 1 1 1 A 13 13 LYS C C 13 180.730 178.603 2.127 1 1 161 . 1 1 1 A 13 13 LYS CA C 13 60.300 59.825 0.475 1 1 162 . 1 1 1 A 13 13 LYS CB C 13 31.900 32.614 -0.714 1 1 166 . 1 1 1 A 13 13 LYS N N 13 124.000 120.212 3.788 1 1 167 . 1 1 1 A 14 14 GLU H H 14 7.770 7.915 -0.145 1 1 168 . 1 1 1 A 14 14 GLU HA H 14 4.050 4.037 0.013 1 1 173 . 1 1 1 A 14 14 GLU C C 14 178.750 179.018 -0.268 1 1 174 . 1 1 1 A 14 14 GLU CA C 14 59.300 59.438 -0.138 1 1 175 . 1 1 1 A 14 14 GLU CB C 14 29.300 29.279 0.021 1 1 177 . 1 1 1 A 14 14 GLU N N 14 120.060 118.108 1.952 1 1 178 . 1 1 1 A 15 15 ALA H H 15 8.020 7.681 0.339 1 1 179 . 1 1 1 A 15 15 ALA HA H 15 4.110 4.166 -0.056 1 1 183 . 1 1 1 A 15 15 ALA C C 15 179.220 179.892 -0.672 1 1 184 . 1 1 1 A 15 15 ALA CA C 15 55.900 54.935 0.965 1 1 185 . 1 1 1 A 15 15 ALA CB C 15 18.430 18.052 0.378 1 1 186 . 1 1 1 A 15 15 ALA N N 15 121.660 122.556 -0.896 1 1 187 . 1 1 1 A 16 16 PHE H H 16 8.700 8.050 0.650 1 1 188 . 1 1 1 A 16 16 PHE HA H 16 3.190 3.608 -0.418 1 1 196 . 1 1 1 A 16 16 PHE C C 16 176.350 177.798 -1.448 1 1 197 . 1 1 1 A 16 16 PHE CA C 16 62.300 59.501 2.799 1 1 198 . 1 1 1 A 16 16 PHE CB C 16 39.800 37.909 1.891 1 1 204 . 1 1 1 A 16 16 PHE N N 16 118.400 116.358 2.042 1 1 205 . 1 1 1 A 17 17 SER H H 17 8.040 7.491 0.549 1 1 206 . 1 1 1 A 17 17 SER HA H 17 4.110 4.148 -0.038 1 1 209 . 1 1 1 A 17 17 SER C C 17 178.820 176.393 2.427 1 1 210 . 1 1 1 A 17 17 SER CA C 17 61.600 60.668 0.932 1 1 211 . 1 1 1 A 17 17 SER CB C 17 63.200 63.277 -0.077 1 1 212 . 1 1 1 A 17 17 SER N N 17 114.290 114.836 -0.546 1 1 213 . 1 1 1 A 18 18 LEU H H 18 7.440 7.724 -0.284 1 1 214 . 1 1 1 A 18 18 LEU HA H 18 3.970 3.981 -0.011 1 1 224 . 1 1 1 A 18 18 LEU C C 18 178.630 178.034 0.596 1 1 225 . 1 1 1 A 18 18 LEU CA C 18 56.800 57.880 -1.080 1 1 226 . 1 1 1 A 18 18 LEU CB C 18 42.600 41.790 0.810 1 1 230 . 1 1 1 A 18 18 LEU N N 18 118.200 122.948 -4.748 1 1 231 . 1 1 1 A 19 19 PHE H H 19 7.330 6.333 0.997 1 1 232 . 1 1 1 A 19 19 PHE HA H 19 3.950 4.638 -0.688 1 1 240 . 1 1 1 A 19 19 PHE C C 19 174.460 175.395 -0.935 1 1 241 . 1 1 1 A 19 19 PHE CA C 19 59.300 57.109 2.191 1 1 242 . 1 1 1 A 19 19 PHE CB C 19 41.800 39.688 2.112 1 1 248 . 1 1 1 A 19 19 PHE N N 19 114.900 113.699 1.201 1 1 249 . 1 1 1 A 20 20 ASP H H 20 7.780 6.981 0.799 1 1 250 . 1 1 1 A 20 20 ASP HA H 20 4.480 4.989 -0.509 1 1 253 . 1 1 1 A 20 20 ASP C C 20 176.700 175.840 0.860 1 1 254 . 1 1 1 A 20 20 ASP CA C 20 52.400 53.547 -1.147 1 1 255 . 1 1 1 A 20 20 ASP CB C 20 39.400 39.179 0.221 1 1 256 . 1 1 1 A 20 20 ASP N N 20 117.700 122.155 -4.455 1 1 257 . 1 1 1 A 21 21 LYS H H 21 7.480 8.025 -0.545 1 1 258 . 1 1 1 A 21 21 LYS HA H 21 3.840 4.089 -0.249 1 1 267 . 1 1 1 A 21 21 LYS C C 21 175.550 177.664 -2.114 1 1 268 . 1 1 1 A 21 21 LYS CA C 21 58.300 59.406 -1.106 1 1 269 . 1 1 1 A 21 21 LYS CB C 21 32.600 32.793 -0.193 1 1 273 . 1 1 1 A 21 21 LYS N N 21 124.200 125.258 -1.058 1 1 274 . 1 1 1 A 22 22 ASP H H 22 7.910 7.988 -0.078 1 1 275 . 1 1 1 A 22 22 ASP HA H 22 4.460 4.643 -0.183 1 1 278 . 1 1 1 A 22 22 ASP C C 22 176.920 177.757 -0.837 1 1 279 . 1 1 1 A 22 22 ASP CA C 22 53.400 53.078 0.322 1 1 280 . 1 1 1 A 22 22 ASP CB C 22 39.800 39.797 0.003 1 1 281 . 1 1 1 A 22 22 ASP N N 22 113.500 114.339 -0.839 1 1 282 . 1 1 1 A 23 23 GLY H H 23 7.540 7.996 -0.456 1 1 283 . 1 1 1 A 23 23 GLY HA2 H 23 3.730 3.870 -0.140 1 1 284 . 1 1 1 A 23 23 GLY HA3 H 23 3.730 3.872 -0.142 1 1 285 . 1 1 1 A 23 23 GLY C C 23 178.030 175.127 2.903 1 1 286 . 1 1 1 A 23 23 GLY CA C 23 47.400 47.238 0.162 1 1 287 . 1 1 1 A 23 23 GLY N N 23 109.200 108.923 0.277 1 1 288 . 1 1 1 A 24 24 ASP H H 24 8.430 7.793 0.637 1 1 289 . 1 1 1 A 24 24 ASP HA H 24 4.410 4.585 -0.175 1 1 292 . 1 1 1 A 24 24 ASP C C 24 177.580 177.575 0.005 1 1 293 . 1 1 1 A 24 24 ASP CA C 24 53.770 53.582 0.188 1 1 294 . 1 1 1 A 24 24 ASP CB C 24 40.200 40.304 -0.104 1 1 295 . 1 1 1 A 24 24 ASP N N 24 120.700 120.574 0.126 1 1 296 . 1 1 1 A 25 25 GLY H H 25 10.370 9.498 0.872 1 1 297 . 1 1 1 A 25 25 GLY HA2 H 25 4.240 3.968 0.272 1 1 298 . 1 1 1 A 25 25 GLY HA3 H 25 3.610 3.985 -0.375 1 1 299 . 1 1 1 A 25 25 GLY C C 25 175.160 173.581 1.579 1 1 300 . 1 1 1 A 25 25 GLY CA C 25 45.300 45.458 -0.158 1 1 301 . 1 1 1 A 25 25 GLY N N 25 112.100 112.094 0.006 1 1 302 . 1 1 1 A 26 26 THR H H 26 8.060 8.185 -0.125 1 1 303 . 1 1 1 A 26 26 THR HA H 26 5.430 5.012 0.418 1 1 308 . 1 1 1 A 26 26 THR C C 26 177.260 173.349 3.911 1 1 309 . 1 1 1 A 26 26 THR CA C 26 59.500 58.851 0.649 1 1 310 . 1 1 1 A 26 26 THR CB C 26 72.800 73.204 -0.404 1 1 312 . 1 1 1 A 26 26 THR N N 26 110.950 109.664 1.286 1 1 313 . 1 1 1 A 27 27 ILE H H 27 9.890 8.555 1.335 1 1 314 . 1 1 1 A 27 27 ILE HA H 27 4.680 5.112 -0.432 1 1 324 . 1 1 1 A 27 27 ILE C C 27 173.810 175.650 -1.840 1 1 325 . 1 1 1 A 27 27 ILE CA C 27 61.250 60.539 0.711 1 1 326 . 1 1 1 A 27 27 ILE CB C 27 40.700 38.596 2.104 1 1 330 . 1 1 1 A 27 27 ILE N N 27 125.400 124.589 0.811 1 1 331 . 1 1 1 A 28 28 THR H H 28 8.290 8.431 -0.141 1 1 332 . 1 1 1 A 28 28 THR HA H 28 4.680 4.922 -0.242 1 1 337 . 1 1 1 A 28 28 THR C C 28 173.550 176.084 -2.534 1 1 338 . 1 1 1 A 28 28 THR CA C 28 59.200 59.427 -0.227 1 1 339 . 1 1 1 A 28 28 THR CB C 28 72.600 72.099 0.501 1 1 341 . 1 1 1 A 28 28 THR N N 28 116.000 117.853 -1.853 1 1 342 . 1 1 1 A 29 29 THR H H 29 9.180 8.852 0.328 1 1 343 . 1 1 1 A 29 29 THR HA H 29 3.570 3.886 -0.316 1 1 348 . 1 1 1 A 29 29 THR C C 29 176.080 176.750 -0.670 1 1 349 . 1 1 1 A 29 29 THR CA C 29 66.100 66.620 -0.520 1 1 350 . 1 1 1 A 29 29 THR CB C 29 67.650 68.259 -0.609 1 1 352 . 1 1 1 A 29 29 THR N N 29 111.440 114.921 -3.481 1 1 353 . 1 1 1 A 30 30 LYS H H 30 7.340 8.139 -0.799 1 1 354 . 1 1 1 A 30 30 LYS HA H 30 3.960 3.936 0.024 1 1 363 . 1 1 1 A 30 30 LYS C C 30 176.660 179.128 -2.468 1 1 364 . 1 1 1 A 30 30 LYS CA C 30 59.100 59.678 -0.578 1 1 365 . 1 1 1 A 30 30 LYS CB C 30 32.700 32.193 0.507 1 1 369 . 1 1 1 A 30 30 LYS N N 30 120.350 121.674 -1.324 1 1 370 . 1 1 1 A 31 31 GLU H H 31 7.760 8.296 -0.536 1 1 371 . 1 1 1 A 31 31 GLU HA H 31 4.000 4.117 -0.117 1 1 376 . 1 1 1 A 31 31 GLU C C 31 177.230 179.018 -1.788 1 1 377 . 1 1 1 A 31 31 GLU CA C 31 59.600 59.005 0.595 1 1 378 . 1 1 1 A 31 31 GLU CB C 31 29.600 28.477 1.123 1 1 380 . 1 1 1 A 31 31 GLU N N 31 122.300 117.611 4.689 1 1 381 . 1 1 1 A 32 32 LEU H H 32 8.370 8.217 0.153 1 1 382 . 1 1 1 A 32 32 LEU HA H 32 4.060 3.872 0.188 1 1 392 . 1 1 1 A 32 32 LEU C C 32 179.400 178.667 0.733 1 1 393 . 1 1 1 A 32 32 LEU CA C 32 57.550 57.916 -0.366 1 1 394 . 1 1 1 A 32 32 LEU CB C 32 41.700 41.942 -0.242 1 1 398 . 1 1 1 A 32 32 LEU N N 32 120.100 123.050 -2.950 1 1 399 . 1 1 1 A 33 33 GLY H H 33 8.650 8.032 0.618 1 1 400 . 1 1 1 A 33 33 GLY HA2 H 33 3.450 3.802 -0.352 1 1 401 . 1 1 1 A 33 33 GLY HA3 H 33 3.800 3.804 -0.004 1 1 402 . 1 1 1 A 33 33 GLY C C 33 179.640 176.173 3.467 1 1 403 . 1 1 1 A 33 33 GLY CA C 33 48.300 47.815 0.485 1 1 404 . 1 1 1 A 33 33 GLY N N 33 105.700 106.142 -0.442 1 1 405 . 1 1 1 A 34 34 THR H H 34 8.070 7.825 0.245 1 1 406 . 1 1 1 A 34 34 THR HA H 34 3.790 4.025 -0.235 1 1 411 . 1 1 1 A 34 34 THR C C 34 178.670 176.072 2.598 1 1 412 . 1 1 1 A 34 34 THR CA C 34 67.300 66.939 0.361 1 1 413 . 1 1 1 A 34 34 THR CB C 34 68.700 68.635 0.065 1 1 415 . 1 1 1 A 34 34 THR N N 34 118.140 118.611 -0.471 1 1 416 . 1 1 1 A 35 35 VAL H H 35 7.510 7.776 -0.266 1 1 417 . 1 1 1 A 35 35 VAL HA H 35 3.480 3.562 -0.082 1 1 425 . 1 1 1 A 35 35 VAL C C 35 175.050 177.625 -2.575 1 1 426 . 1 1 1 A 35 35 VAL CA C 35 66.500 66.790 -0.290 1 1 427 . 1 1 1 A 35 35 VAL CB C 35 31.400 31.346 0.054 1 1 430 . 1 1 1 A 35 35 VAL N N 35 121.400 121.975 -0.575 1 1 431 . 1 1 1 A 36 36 MET H H 36 8.530 7.955 0.575 1 1 432 . 1 1 1 A 36 36 MET HA H 36 3.590 4.110 -0.520 1 1 440 . 1 1 1 A 36 36 MET C C 36 177.410 177.932 -0.522 1 1 441 . 1 1 1 A 36 36 MET CA C 36 61.900 58.548 3.352 1 1 442 . 1 1 1 A 36 36 MET CB C 36 32.600 31.230 1.370 1 1 445 . 1 1 1 A 36 36 MET N N 36 118.970 118.129 0.841 1 1 446 . 1 1 1 A 37 37 ARG H H 37 8.600 8.274 0.326 1 1 447 . 1 1 1 A 37 37 ARG HA H 37 4.720 4.068 0.652 1 1 454 . 1 1 1 A 37 37 ARG C C 37 179.250 178.867 0.383 1 1 455 . 1 1 1 A 37 37 ARG CA C 37 59.450 59.349 0.101 1 1 456 . 1 1 1 A 37 37 ARG CB C 37 30.200 30.099 0.101 1 1 459 . 1 1 1 A 37 37 ARG N N 37 118.400 120.300 -1.900 1 1 460 . 1 1 1 A 38 38 SER H H 38 7.830 8.118 -0.288 1 1 461 . 1 1 1 A 38 38 SER HA H 38 4.240 4.340 -0.100 1 1 464 . 1 1 1 A 38 38 SER C C 38 178.480 176.333 2.147 1 1 465 . 1 1 1 A 38 38 SER CA C 38 62.100 61.314 0.786 1 1 466 . 1 1 1 A 38 38 SER CB C 38 63.400 62.920 0.480 1 1 467 . 1 1 1 A 38 38 SER N N 38 119.400 115.314 4.086 1 1 468 . 1 1 1 A 39 39 LEU H H 39 7.280 8.359 -1.079 1 1 469 . 1 1 1 A 39 39 LEU HA H 39 4.360 4.395 -0.035 1 1 479 . 1 1 1 A 39 39 LEU C C 39 178.240 176.851 1.389 1 1 480 . 1 1 1 A 39 39 LEU CA C 39 54.300 55.675 -1.375 1 1 481 . 1 1 1 A 39 39 LEU CB C 39 42.100 42.495 -0.395 1 1 485 . 1 1 1 A 39 39 LEU N N 39 119.950 123.304 -3.354 1 1 486 . 1 1 1 A 40 40 GLY H H 40 7.740 8.231 -0.491 1 1 487 . 1 1 1 A 40 40 GLY HA2 H 40 4.140 3.933 0.207 1 1 488 . 1 1 1 A 40 40 GLY HA3 H 40 3.650 3.934 -0.284 1 1 489 . 1 1 1 A 40 40 GLY C C 40 176.140 173.881 2.259 1 1 490 . 1 1 1 A 40 40 GLY CA C 40 45.300 45.705 -0.405 1 1 491 . 1 1 1 A 40 40 GLY N N 40 105.750 107.424 -1.674 1 1 492 . 1 1 1 A 41 41 GLN H H 41 7.710 7.847 -0.137 1 1 493 . 1 1 1 A 41 41 GLN HA H 41 4.360 4.707 -0.347 1 1 500 . 1 1 1 A 41 41 GLN C C 41 176.700 174.698 2.002 1 1 501 . 1 1 1 A 41 41 GLN CA C 41 54.900 54.141 0.759 1 1 502 . 1 1 1 A 41 41 GLN CB C 41 29.600 30.896 -1.296 1 1 504 . 1 1 1 A 41 41 GLN N N 41 118.400 119.170 -0.770 1 1 506 . 1 1 1 A 42 42 ASN H H 42 8.640 8.683 -0.043 1 1 507 . 1 1 1 A 42 42 ASN HA H 42 5.150 5.527 -0.377 1 1 512 . 1 1 1 A 42 42 ASN CA C 42 51.200 50.733 0.467 1 1 513 . 1 1 1 A 42 42 ASN CB C 42 39.500 39.571 -0.071 1 1 514 . 1 1 1 A 42 42 ASN N N 42 115.610 120.049 -4.439 1 1 516 . 1 1 1 A 43 43 PRO HA H 43 4.540 4.556 -0.016 1 1 523 . 1 1 1 A 43 43 PRO C C 43 179.440 176.367 3.073 1 1 524 . 1 1 1 A 43 43 PRO CA C 43 62.450 63.028 -0.578 1 1 525 . 1 1 1 A 43 43 PRO CB C 43 31.500 31.949 -0.449 1 1 528 . 1 1 1 A 44 44 THR H H 44 8.660 8.473 0.187 1 1 529 . 1 1 1 A 44 44 THR HA H 44 4.340 4.545 -0.205 1 1 534 . 1 1 1 A 44 44 THR CA C 44 60.450 61.329 -0.879 1 1 535 . 1 1 1 A 44 44 THR CB C 44 71.400 69.938 1.462 1 1 537 . 1 1 1 A 44 44 THR N N 44 112.600 116.818 -4.218 1 1 538 . 1 1 1 A 45 45 GLU H H 45 8.720 9.031 -0.311 1 1 539 . 1 1 1 A 45 45 GLU HA H 45 3.870 3.901 -0.031 1 1 544 . 1 1 1 A 45 45 GLU C C 45 174.270 178.173 -3.903 1 1 545 . 1 1 1 A 45 45 GLU CA C 45 59.900 59.826 0.074 1 1 546 . 1 1 1 A 45 45 GLU CB C 45 29.200 29.265 -0.065 1 1 548 . 1 1 1 A 45 45 GLU N N 45 120.150 126.846 -6.696 1 1 549 . 1 1 1 A 46 46 ALA H H 46 8.200 8.334 -0.134 1 1 550 . 1 1 1 A 46 46 ALA HA H 46 3.980 4.033 -0.053 1 1 554 . 1 1 1 A 46 46 ALA C C 46 175.180 180.019 -4.839 1 1 555 . 1 1 1 A 46 46 ALA CA C 46 55.100 54.879 0.221 1 1 556 . 1 1 1 A 46 46 ALA CB C 46 18.300 18.223 0.077 1 1 557 . 1 1 1 A 46 46 ALA N N 46 120.450 121.450 -1.000 1 1 558 . 1 1 1 A 47 47 GLU H H 47 7.630 7.815 -0.185 1 1 559 . 1 1 1 A 47 47 GLU HA H 47 3.890 4.128 -0.238 1 1 564 . 1 1 1 A 47 47 GLU C C 47 179.020 179.060 -0.040 1 1 565 . 1 1 1 A 47 47 GLU CA C 47 59.500 58.775 0.725 1 1 566 . 1 1 1 A 47 47 GLU CB C 47 29.600 29.407 0.193 1 1 568 . 1 1 1 A 47 47 GLU N N 47 118.320 118.478 -0.158 1 1 569 . 1 1 1 A 48 48 LEU H H 48 7.880 8.226 -0.346 1 1 570 . 1 1 1 A 48 48 LEU HA H 48 3.790 3.968 -0.178 1 1 580 . 1 1 1 A 48 48 LEU C C 48 180.200 179.612 0.588 1 1 581 . 1 1 1 A 48 48 LEU CA C 48 58.150 57.897 0.253 1 1 582 . 1 1 1 A 48 48 LEU CB C 48 42.800 41.747 1.053 1 1 586 . 1 1 1 A 48 48 LEU N N 48 119.000 120.244 -1.244 1 1 587 . 1 1 1 A 49 49 GLN H H 49 8.080 8.281 -0.201 1 1 588 . 1 1 1 A 49 49 GLN HA H 49 3.630 4.007 -0.377 1 1 595 . 1 1 1 A 49 49 GLN C C 49 177.680 178.179 -0.499 1 1 596 . 1 1 1 A 49 49 GLN CA C 49 58.600 58.904 -0.304 1 1 597 . 1 1 1 A 49 49 GLN CB C 49 28.500 28.562 -0.062 1 1 599 . 1 1 1 A 49 49 GLN N N 49 117.400 118.699 -1.299 1 1 601 . 1 1 1 A 50 50 ASP H H 50 7.960 8.211 -0.251 1 1 602 . 1 1 1 A 50 50 ASP HA H 50 4.300 4.323 -0.023 1 1 605 . 1 1 1 A 50 50 ASP C C 50 178.470 179.097 -0.627 1 1 606 . 1 1 1 A 50 50 ASP CA C 50 57.700 57.589 0.111 1 1 607 . 1 1 1 A 50 50 ASP CB C 50 40.600 40.419 0.181 1 1 608 . 1 1 1 A 50 50 ASP N N 50 119.050 119.977 -0.927 1 1 609 . 1 1 1 A 51 51 MET H H 51 7.750 8.305 -0.555 1 1 610 . 1 1 1 A 51 51 MET HA H 51 4.000 4.173 -0.173 1 1 618 . 1 1 1 A 51 51 MET C C 51 178.170 178.778 -0.608 1 1 619 . 1 1 1 A 51 51 MET CA C 51 59.500 58.589 0.911 1 1 620 . 1 1 1 A 51 51 MET CB C 51 34.700 33.023 1.677 1 1 623 . 1 1 1 A 51 51 MET N N 51 117.900 118.233 -0.333 1 1 624 . 1 1 1 A 52 52 ILE H H 52 7.580 7.921 -0.341 1 1 625 . 1 1 1 A 52 52 ILE HA H 52 3.620 3.493 0.127 1 1 635 . 1 1 1 A 52 52 ILE C C 52 178.690 177.841 0.849 1 1 636 . 1 1 1 A 52 52 ILE CA C 52 63.600 65.345 -1.745 1 1 637 . 1 1 1 A 52 52 ILE CB C 52 36.700 37.857 -1.157 1 1 641 . 1 1 1 A 52 52 ILE N N 52 116.850 119.272 -2.422 1 1 642 . 1 1 1 A 53 53 ASN H H 53 8.570 8.409 0.161 1 1 643 . 1 1 1 A 53 53 ASN HA H 53 4.310 4.421 -0.111 1 1 648 . 1 1 1 A 53 53 ASN CA C 53 56.400 56.467 -0.067 1 1 649 . 1 1 1 A 53 53 ASN CB C 53 38.300 37.947 0.353 1 1 650 . 1 1 1 A 53 53 ASN N N 53 116.900 118.160 -1.260 1 1 652 . 1 1 1 A 54 54 GLU H H 54 7.520 7.712 -0.192 1 1 653 . 1 1 1 A 54 54 GLU HA H 54 3.950 4.066 -0.116 1 1 658 . 1 1 1 A 54 54 GLU C C 54 178.070 178.655 -0.585 1 1 659 . 1 1 1 A 54 54 GLU CA C 54 59.000 59.139 -0.139 1 1 660 . 1 1 1 A 54 54 GLU CB C 54 29.800 29.256 0.544 1 1 662 . 1 1 1 A 54 54 GLU N N 54 115.650 120.487 -4.837 1 1 663 . 1 1 1 A 55 55 VAL H H 55 7.020 7.189 -0.169 1 1 664 . 1 1 1 A 55 55 VAL HA H 55 4.110 4.003 0.107 1 1 672 . 1 1 1 A 55 55 VAL C C 55 177.890 176.323 1.567 1 1 673 . 1 1 1 A 55 55 VAL CA C 55 61.210 64.614 -3.404 1 1 674 . 1 1 1 A 55 55 VAL CB C 55 33.100 32.136 0.964 1 1 677 . 1 1 1 A 55 55 VAL N N 55 111.500 117.998 -6.498 1 1 678 . 1 1 1 A 56 56 ASP H H 56 7.460 7.878 -0.418 1 1 679 . 1 1 1 A 56 56 ASP HA H 56 4.360 4.626 -0.266 1 1 682 . 1 1 1 A 56 56 ASP C C 56 177.620 176.637 0.983 1 1 683 . 1 1 1 A 56 56 ASP CA C 56 53.550 53.582 -0.032 1 1 684 . 1 1 1 A 56 56 ASP CB C 56 40.600 40.399 0.201 1 1 685 . 1 1 1 A 56 56 ASP N N 56 121.330 121.744 -0.414 1 1 686 . 1 1 1 A 57 57 ALA H H 57 7.780 8.256 -0.476 1 1 687 . 1 1 1 A 57 57 ALA HA H 57 4.080 4.066 0.014 1 1 691 . 1 1 1 A 57 57 ALA C C 57 175.320 178.382 -3.062 1 1 692 . 1 1 1 A 57 57 ALA CA C 57 55.000 55.058 -0.058 1 1 693 . 1 1 1 A 57 57 ALA CB C 57 19.800 18.538 1.262 1 1 694 . 1 1 1 A 57 57 ALA N N 57 130.400 128.090 2.310 1 1 695 . 1 1 1 A 58 58 ASP H H 58 8.140 7.917 0.223 1 1 696 . 1 1 1 A 58 58 ASP HA H 58 4.540 4.568 -0.028 1 1 699 . 1 1 1 A 58 58 ASP C C 58 176.130 177.490 -1.360 1 1 700 . 1 1 1 A 58 58 ASP CA C 58 52.950 53.222 -0.272 1 1 701 . 1 1 1 A 58 58 ASP CB C 58 40.100 40.007 0.093 1 1 702 . 1 1 1 A 58 58 ASP N N 58 113.200 113.138 0.062 1 1 703 . 1 1 1 A 59 59 GLY H H 59 7.530 7.653 -0.123 1 1 704 . 1 1 1 A 59 59 GLY HA2 H 59 3.700 3.913 -0.213 1 1 705 . 1 1 1 A 59 59 GLY HA3 H 59 3.820 3.915 -0.095 1 1 706 . 1 1 1 A 59 59 GLY C C 59 178.830 175.281 3.549 1 1 707 . 1 1 1 A 59 59 GLY CA C 59 47.450 46.938 0.512 1 1 708 . 1 1 1 A 59 59 GLY N N 59 108.180 109.277 -1.097 1 1 709 . 1 1 1 A 60 60 ASN H H 60 8.080 8.517 -0.437 1 1 710 . 1 1 1 A 60 60 ASN HA H 60 4.500 4.677 -0.177 1 1 715 . 1 1 1 A 60 60 ASN CA C 60 52.900 52.627 0.273 1 1 716 . 1 1 1 A 60 60 ASN CB C 60 37.900 37.838 0.062 1 1 717 . 1 1 1 A 60 60 ASN N N 60 118.700 118.556 0.144 1 1 719 . 1 1 1 A 61 61 GLY H H 61 10.640 10.277 0.363 1 1 720 . 1 1 1 A 61 61 GLY HA2 H 61 3.370 3.879 -0.509 1 1 721 . 1 1 1 A 61 61 GLY HA3 H 61 4.190 3.882 0.308 1 1 722 . 1 1 1 A 61 61 GLY C C 61 174.970 173.437 1.533 1 1 723 . 1 1 1 A 61 61 GLY CA C 61 45.300 45.429 -0.129 1 1 724 . 1 1 1 A 61 61 GLY N N 61 113.400 112.011 1.389 1 1 725 . 1 1 1 A 62 62 THR H H 62 7.550 7.855 -0.305 1 1 726 . 1 1 1 A 62 62 THR HA H 62 4.620 4.922 -0.302 1 1 731 . 1 1 1 A 62 62 THR C C 62 176.870 172.832 4.038 1 1 732 . 1 1 1 A 62 62 THR CA C 62 59.550 59.540 0.010 1 1 733 . 1 1 1 A 62 62 THR CB C 62 72.500 72.519 -0.019 1 1 735 . 1 1 1 A 62 62 THR N N 62 107.860 109.838 -1.978 1 1 736 . 1 1 1 A 63 63 ILE H H 63 8.790 8.594 0.196 1 1 737 . 1 1 1 A 63 63 ILE HA H 63 5.280 4.996 0.284 1 1 747 . 1 1 1 A 63 63 ILE C C 63 173.250 175.348 -2.098 1 1 748 . 1 1 1 A 63 63 ILE CA C 63 57.600 59.946 -2.346 1 1 749 . 1 1 1 A 63 63 ILE CB C 63 39.400 39.207 0.193 1 1 753 . 1 1 1 A 63 63 ILE N N 63 123.900 122.160 1.740 1 1 754 . 1 1 1 A 64 64 ASP H H 64 8.720 8.666 0.054 1 1 755 . 1 1 1 A 64 64 ASP HA H 64 5.350 5.122 0.228 1 1 758 . 1 1 1 A 64 64 ASP C C 64 172.850 176.295 -3.445 1 1 759 . 1 1 1 A 64 64 ASP CA C 64 52.100 52.220 -0.120 1 1 760 . 1 1 1 A 64 64 ASP CB C 64 42.150 42.242 -0.092 1 1 761 . 1 1 1 A 64 64 ASP N N 64 127.860 128.394 -0.534 1 1 762 . 1 1 1 A 65 65 PHE H H 65 8.840 9.155 -0.315 1 1 763 . 1 1 1 A 65 65 PHE HA H 65 3.890 4.749 -0.859 1 1 771 . 1 1 1 A 65 65 PHE C C 65 175.750 174.592 1.158 1 1 772 . 1 1 1 A 65 65 PHE CA C 65 63.300 63.179 0.121 1 1 773 . 1 1 1 A 65 65 PHE CB C 65 36.100 37.559 -1.459 1 1 779 . 1 1 1 A 65 65 PHE N N 65 117.500 119.328 -1.828 1 1 780 . 1 1 1 A 66 66 PRO HA H 66 3.770 4.352 -0.582 1 1 787 . 1 1 1 A 66 66 PRO C C 66 175.840 179.409 -3.569 1 1 788 . 1 1 1 A 66 66 PRO CA C 66 67.100 66.409 0.691 1 1 789 . 1 1 1 A 66 66 PRO CB C 66 30.700 30.602 0.098 1 1 792 . 1 1 1 A 67 67 GLU H H 67 8.340 8.419 -0.079 1 1 793 . 1 1 1 A 67 67 GLU HA H 67 3.920 4.119 -0.199 1 1 798 . 1 1 1 A 67 67 GLU CA C 67 59.400 59.154 0.246 1 1 799 . 1 1 1 A 67 67 GLU CB C 67 29.650 29.149 0.501 1 1 801 . 1 1 1 A 67 67 GLU N N 67 117.850 117.727 0.123 1 1 802 . 1 1 1 A 68 68 PHE H H 68 8.630 8.855 -0.225 1 1 803 . 1 1 1 A 68 68 PHE HA H 68 3.670 4.138 -0.468 1 1 811 . 1 1 1 A 68 68 PHE C C 68 174.810 177.463 -2.653 1 1 812 . 1 1 1 A 68 68 PHE CA C 68 61.400 61.305 0.095 1 1 813 . 1 1 1 A 68 68 PHE CB C 68 40.700 39.234 1.466 1 1 819 . 1 1 1 A 68 68 PHE N N 68 123.200 123.373 -0.173 1 1 820 . 1 1 1 A 69 69 LEU H H 69 8.800 8.651 0.149 1 1 821 . 1 1 1 A 69 69 LEU HA H 69 3.130 3.834 -0.704 1 1 831 . 1 1 1 A 69 69 LEU C C 69 179.310 178.969 0.341 1 1 832 . 1 1 1 A 69 69 LEU CA C 69 58.000 58.147 -0.147 1 1 833 . 1 1 1 A 69 69 LEU CB C 69 41.550 41.685 -0.135 1 1 837 . 1 1 1 A 69 69 LEU N N 69 119.930 120.072 -0.142 1 1 838 . 1 1 1 A 70 70 THR H H 70 7.550 7.678 -0.128 1 1 839 . 1 1 1 A 70 70 THR HA H 70 3.530 3.801 -0.271 1 1 844 . 1 1 1 A 70 70 THR C C 70 180.360 176.867 3.493 1 1 845 . 1 1 1 A 70 70 THR CA C 70 66.700 66.859 -0.159 1 1 846 . 1 1 1 A 70 70 THR CB C 70 68.500 68.210 0.290 1 1 848 . 1 1 1 A 70 70 THR N N 70 114.730 114.639 0.091 1 1 849 . 1 1 1 A 71 71 MET H H 71 7.000 7.982 -0.982 1 1 850 . 1 1 1 A 71 71 MET HA H 71 3.640 4.117 -0.477 1 1 858 . 1 1 1 A 71 71 MET C C 71 176.750 178.448 -1.698 1 1 859 . 1 1 1 A 71 71 MET CA C 71 58.800 58.182 0.618 1 1 860 . 1 1 1 A 71 71 MET CB C 71 32.000 32.595 -0.595 1 1 863 . 1 1 1 A 71 71 MET N N 71 119.750 118.316 1.434 1 1 864 . 1 1 1 A 72 72 MET H H 72 7.810 8.075 -0.265 1 1 865 . 1 1 1 A 72 72 MET HA H 72 3.880 4.188 -0.308 1 1 873 . 1 1 1 A 72 72 MET C C 72 174.850 178.357 -3.507 1 1 874 . 1 1 1 A 72 72 MET CA C 72 55.100 58.994 -3.894 1 1 875 . 1 1 1 A 72 72 MET CB C 72 28.900 32.629 -3.729 1 1 878 . 1 1 1 A 72 72 MET N N 72 115.300 118.577 -3.277 1 1 879 . 1 1 1 A 73 73 ALA H H 73 7.880 8.133 -0.253 1 1 880 . 1 1 1 A 73 73 ALA HA H 73 3.990 4.049 -0.059 1 1 884 . 1 1 1 A 73 73 ALA C C 73 177.940 178.798 -0.858 1 1 885 . 1 1 1 A 73 73 ALA CA C 73 53.900 55.069 -1.169 1 1 886 . 1 1 1 A 73 73 ALA CB C 73 18.600 18.369 0.231 1 1 887 . 1 1 1 A 73 73 ALA N N 73 120.000 121.084 -1.084 1 1 888 . 1 1 1 A 74 74 ARG H H 74 7.050 7.250 -0.200 1 1 889 . 1 1 1 A 74 74 ARG HA H 74 4.040 4.378 -0.338 1 1 896 . 1 1 1 A 74 74 ARG C C 74 178.910 176.708 2.202 1 1 897 . 1 1 1 A 74 74 ARG CA C 74 57.400 56.358 1.042 1 1 898 . 1 1 1 A 74 74 ARG CB C 74 30.900 30.482 0.418 1 1 901 . 1 1 1 A 74 74 ARG N N 74 115.850 115.428 0.422 1 1 902 . 1 1 1 A 75 75 LYS H H 75 7.820 7.720 0.100 1 1 903 . 1 1 1 A 75 75 LYS HA H 75 4.200 4.329 -0.129 1 1 912 . 1 1 1 A 75 75 LYS C C 75 178.770 176.926 1.844 1 1 913 . 1 1 1 A 75 75 LYS CA C 75 55.900 55.077 0.823 1 1 914 . 1 1 1 A 75 75 LYS CB C 75 32.600 31.006 1.594 1 1 918 . 1 1 1 A 75 75 LYS N N 75 119.600 121.392 -1.792 1 1 919 . 1 1 1 A 76 76 MET H H 76 8.100 8.062 0.038 1 1 920 . 1 1 1 A 76 76 MET HA H 76 4.300 4.843 -0.543 1 1 928 . 1 1 1 A 76 76 MET C C 76 176.990 175.888 1.102 1 1 929 . 1 1 1 A 76 76 MET CA C 76 55.800 54.094 1.706 1 1 930 . 1 1 1 A 76 76 MET CB C 76 33.800 32.922 0.878 1 1 933 . 1 1 1 A 76 76 MET N N 76 122.300 123.845 -1.545 1 1 934 . 1 1 1 A 77 77 LYS H H 77 8.150 7.609 0.541 1 1 935 . 1 1 1 A 77 77 LYS HA H 77 4.210 4.098 0.112 1 1 944 . 1 1 1 A 77 77 LYS C C 77 176.890 175.418 1.472 1 1 945 . 1 1 1 A 77 77 LYS CA C 77 56.100 56.830 -0.730 1 1 946 . 1 1 1 A 77 77 LYS CB C 77 33.000 32.811 0.189 1 1 950 . 1 1 1 A 77 77 LYS N N 77 121.300 122.362 -1.062 1 1 951 . 1 1 1 A 78 78 ASP H H 78 8.240 8.636 -0.396 1 1 952 . 1 1 1 A 78 78 ASP HA H 78 4.500 4.881 -0.381 1 1 955 . 1 1 1 A 78 78 ASP C C 78 176.090 174.755 1.335 1 1 956 . 1 1 1 A 78 78 ASP CA C 78 54.700 53.245 1.455 1 1 957 . 1 1 1 A 78 78 ASP CB C 78 41.300 41.179 0.121 1 1 958 . 1 1 1 A 78 78 ASP N N 78 122.200 126.007 -3.807 1 1 959 . 1 1 1 A 79 79 THR H H 79 8.150 8.763 -0.613 1 1 960 . 1 1 1 A 79 79 THR HA H 79 4.220 4.693 -0.473 1 1 965 . 1 1 1 A 79 79 THR C C 79 176.240 173.934 2.306 1 1 966 . 1 1 1 A 79 79 THR CA C 79 61.500 62.379 -0.879 1 1 967 . 1 1 1 A 79 79 THR CB C 79 70.300 69.689 0.611 1 1 969 . 1 1 1 A 79 79 THR N N 79 114.940 121.828 -6.888 1 1 970 . 1 1 1 A 80 80 ASP H H 80 8.480 8.595 -0.115 1 1 971 . 1 1 1 A 80 80 ASP HA H 80 4.600 4.751 -0.151 1 1 974 . 1 1 1 A 80 80 ASP C C 80 176.230 177.234 -1.004 1 1 975 . 1 1 1 A 80 80 ASP CA C 80 54.100 54.615 -0.515 1 1 976 . 1 1 1 A 80 80 ASP CB C 80 41.600 41.932 -0.332 1 1 977 . 1 1 1 A 80 80 ASP N N 80 123.800 127.454 -3.654 1 1 978 . 1 1 1 A 81 81 SER H H 81 8.500 8.941 -0.441 1 1 979 . 1 1 1 A 81 81 SER HA H 81 4.220 4.099 0.121 1 1 982 . 1 1 1 A 81 81 SER C C 81 173.900 176.604 -2.704 1 1 983 . 1 1 1 A 81 81 SER CA C 81 60.400 61.699 -1.299 1 1 984 . 1 1 1 A 81 81 SER CB C 81 63.700 62.702 0.998 1 1 985 . 1 1 1 A 81 81 SER N N 81 118.450 122.520 -4.070 1 1 986 . 1 1 1 A 82 82 GLU H H 82 8.430 7.654 0.776 1 1 987 . 1 1 1 A 82 82 GLU HA H 82 4.010 4.177 -0.167 1 1 992 . 1 1 1 A 82 82 GLU C C 82 176.370 179.405 -3.035 1 1 993 . 1 1 1 A 82 82 GLU CA C 82 59.100 59.328 -0.228 1 1 994 . 1 1 1 A 82 82 GLU CB C 82 29.600 28.998 0.602 1 1 996 . 1 1 1 A 82 82 GLU N N 82 121.850 121.095 0.755 1 1 997 . 1 1 1 A 83 83 GLU H H 83 8.020 9.097 -1.077 1 1 998 . 1 1 1 A 83 83 GLU HA H 83 4.040 4.038 0.002 1 1 1003 . 1 1 1 A 83 83 GLU C C 83 175.890 178.456 -2.566 1 1 1004 . 1 1 1 A 83 83 GLU CA C 83 58.800 59.513 -0.713 1 1 1005 . 1 1 1 A 83 83 GLU CB C 83 29.400 29.091 0.309 1 1 1007 . 1 1 1 A 83 83 GLU N N 83 119.470 119.907 -0.437 1 1 1008 . 1 1 1 A 84 84 GLU H H 84 7.930 8.198 -0.268 1 1 1009 . 1 1 1 A 84 84 GLU HA H 84 4.150 4.269 -0.119 1 1 1014 . 1 1 1 A 84 84 GLU C C 84 176.160 178.711 -2.551 1 1 1015 . 1 1 1 A 84 84 GLU CA C 84 59.400 57.816 1.584 1 1 1016 . 1 1 1 A 84 84 GLU CB C 84 29.600 30.145 -0.545 1 1 1018 . 1 1 1 A 84 84 GLU N N 84 118.310 117.063 1.247 1 1 1019 . 1 1 1 A 85 85 ILE H H 85 7.880 7.917 -0.037 1 1 1020 . 1 1 1 A 85 85 ILE HA H 85 3.880 3.716 0.164 1 1 1030 . 1 1 1 A 85 85 ILE C C 85 179.870 177.590 2.280 1 1 1031 . 1 1 1 A 85 85 ILE CA C 85 65.400 65.020 0.380 1 1 1032 . 1 1 1 A 85 85 ILE CB C 85 37.400 37.673 -0.273 1 1 1036 . 1 1 1 A 85 85 ILE N N 85 120.900 121.578 -0.678 1 1 1037 . 1 1 1 A 86 86 ARG H H 86 7.990 8.254 -0.264 1 1 1038 . 1 1 1 A 86 86 ARG HA H 86 4.030 4.002 0.028 1 1 1045 . 1 1 1 A 86 86 ARG C C 86 180.520 179.224 1.296 1 1 1046 . 1 1 1 A 86 86 ARG CA C 86 60.200 60.057 0.143 1 1 1047 . 1 1 1 A 86 86 ARG CB C 86 29.800 29.828 -0.028 1 1 1050 . 1 1 1 A 86 86 ARG N N 86 121.000 119.608 1.392 1 1 1051 . 1 1 1 A 87 87 GLU H H 87 8.350 8.527 -0.177 1 1 1052 . 1 1 1 A 87 87 GLU HA H 87 3.900 4.079 -0.179 1 1 1057 . 1 1 1 A 87 87 GLU C C 87 177.380 179.553 -2.173 1 1 1058 . 1 1 1 A 87 87 GLU CA C 87 59.600 59.431 0.169 1 1 1059 . 1 1 1 A 87 87 GLU CB C 87 29.500 29.765 -0.265 1 1 1061 . 1 1 1 A 87 87 GLU N N 87 117.860 119.693 -1.833 1 1 1062 . 1 1 1 A 88 88 ALA H H 88 7.880 7.832 0.048 1 1 1063 . 1 1 1 A 88 88 ALA HA H 88 4.060 4.240 -0.180 1 1 1067 . 1 1 1 A 88 88 ALA C C 88 178.580 179.742 -1.162 1 1 1068 . 1 1 1 A 88 88 ALA CA C 88 55.200 54.922 0.278 1 1 1069 . 1 1 1 A 88 88 ALA CB C 88 17.900 18.221 -0.321 1 1 1070 . 1 1 1 A 88 88 ALA N N 88 120.100 122.568 -2.468 1 1 1071 . 1 1 1 A 89 89 PHE H H 89 8.550 7.791 0.759 1 1 1072 . 1 1 1 A 89 89 PHE HA H 89 4.000 3.692 0.308 1 1 1080 . 1 1 1 A 89 89 PHE C C 89 179.770 177.728 2.042 1 1 1081 . 1 1 1 A 89 89 PHE CA C 89 61.800 61.331 0.469 1 1 1082 . 1 1 1 A 89 89 PHE CB C 89 39.130 39.073 0.057 1 1 1088 . 1 1 1 A 89 89 PHE N N 89 118.760 119.352 -0.592 1 1 1089 . 1 1 1 A 90 90 ARG H H 90 7.750 7.888 -0.138 1 1 1090 . 1 1 1 A 90 90 ARG HA H 90 3.760 3.954 -0.194 1 1 1097 . 1 1 1 A 90 90 ARG C C 90 179.090 179.129 -0.039 1 1 1098 . 1 1 1 A 90 90 ARG CA C 90 58.800 59.363 -0.563 1 1 1099 . 1 1 1 A 90 90 ARG CB C 90 30.500 30.146 0.354 1 1 1102 . 1 1 1 A 90 90 ARG N N 90 115.100 117.724 -2.624 1 1 1103 . 1 1 1 A 91 91 VAL H H 91 7.270 7.544 -0.274 1 1 1104 . 1 1 1 A 91 91 VAL HA H 91 3.360 3.580 -0.220 1 1 1112 . 1 1 1 A 91 91 VAL C C 91 179.060 178.033 1.027 1 1 1113 . 1 1 1 A 91 91 VAL CA C 91 66.050 66.386 -0.336 1 1 1114 . 1 1 1 A 91 91 VAL CB C 91 31.200 31.764 -0.564 1 1 1117 . 1 1 1 A 91 91 VAL N N 91 117.450 120.412 -2.962 1 1 1118 . 1 1 1 A 92 92 PHE H H 92 7.000 7.724 -0.724 1 1 1119 . 1 1 1 A 92 92 PHE HA H 92 4.070 4.154 -0.084 1 1 1127 . 1 1 1 A 92 92 PHE C C 92 177.490 176.397 1.093 1 1 1128 . 1 1 1 A 92 92 PHE CA C 92 60.700 59.807 0.893 1 1 1129 . 1 1 1 A 92 92 PHE CB C 92 38.000 39.392 -1.392 1 1 1135 . 1 1 1 A 92 92 PHE N N 92 114.400 118.417 -4.017 1 1 1136 . 1 1 1 A 93 93 ASP H H 93 7.870 8.128 -0.258 1 1 1137 . 1 1 1 A 93 93 ASP HA H 93 4.450 4.457 -0.007 1 1 1140 . 1 1 1 A 93 93 ASP C C 93 176.830 176.291 0.539 1 1 1141 . 1 1 1 A 93 93 ASP CA C 93 52.300 52.306 -0.006 1 1 1142 . 1 1 1 A 93 93 ASP CB C 93 38.800 39.114 -0.314 1 1 1143 . 1 1 1 A 93 93 ASP N N 93 115.100 117.022 -1.922 1 1 1144 . 1 1 1 A 94 94 LYS H H 94 7.510 7.861 -0.351 1 1 1145 . 1 1 1 A 94 94 LYS HA H 94 3.770 3.792 -0.022 1 1 1154 . 1 1 1 A 94 94 LYS C C 94 176.650 177.682 -1.032 1 1 1155 . 1 1 1 A 94 94 LYS CA C 94 59.400 59.899 -0.499 1 1 1156 . 1 1 1 A 94 94 LYS CB C 94 32.800 32.130 0.670 1 1 1160 . 1 1 1 A 94 94 LYS N N 94 124.250 126.624 -2.374 1 1 1161 . 1 1 1 A 95 95 ASP H H 95 8.190 7.696 0.494 1 1 1162 . 1 1 1 A 95 95 ASP HA H 95 4.430 4.605 -0.175 1 1 1165 . 1 1 1 A 95 95 ASP C C 95 177.580 177.616 -0.036 1 1 1166 . 1 1 1 A 95 95 ASP CA C 95 53.600 53.194 0.406 1 1 1167 . 1 1 1 A 95 95 ASP CB C 95 39.900 39.944 -0.044 1 1 1168 . 1 1 1 A 95 95 ASP N N 95 113.600 114.955 -1.355 1 1 1169 . 1 1 1 A 96 96 GLY H H 96 7.770 7.982 -0.212 1 1 1170 . 1 1 1 A 96 96 GLY HA2 H 96 3.750 3.919 -0.169 1 1 1171 . 1 1 1 A 96 96 GLY HA3 H 96 3.750 3.925 -0.175 1 1 1172 . 1 1 1 A 96 96 GLY C C 96 178.400 175.485 2.915 1 1 1173 . 1 1 1 A 96 96 GLY CA C 96 47.100 47.029 0.071 1 1 1174 . 1 1 1 A 96 96 GLY N N 96 108.900 109.122 -0.222 1 1 1175 . 1 1 1 A 97 97 ASN H H 97 8.270 8.034 0.236 1 1 1176 . 1 1 1 A 97 97 ASN HA H 97 4.520 4.770 -0.250 1 1 1181 . 1 1 1 A 97 97 ASN CA C 97 52.900 52.498 0.402 1 1 1182 . 1 1 1 A 97 97 ASN CB C 97 38.100 38.065 0.035 1 1 1183 . 1 1 1 A 97 97 ASN N N 97 119.460 118.886 0.574 1 1 1185 . 1 1 1 A 98 98 GLY H H 98 10.660 9.441 1.219 1 1 1186 . 1 1 1 A 98 98 GLY HA2 H 98 3.330 3.818 -0.488 1 1 1187 . 1 1 1 A 98 98 GLY HA3 H 98 3.960 3.869 0.091 1 1 1188 . 1 1 1 A 98 98 GLY C C 98 178.360 172.825 5.535 1 1 1189 . 1 1 1 A 98 98 GLY CA C 98 45.800 45.372 0.428 1 1 1190 . 1 1 1 A 98 98 GLY N N 98 112.700 111.800 0.900 1 1 1191 . 1 1 1 A 99 99 TYR H H 99 7.570 8.852 -1.282 1 1 1192 . 1 1 1 A 99 99 TYR HA H 99 4.850 5.406 -0.556 1 1 1199 . 1 1 1 A 99 99 TYR C C 99 176.090 174.991 1.099 1 1 1200 . 1 1 1 A 99 99 TYR CA C 99 56.250 56.036 0.214 1 1 1201 . 1 1 1 A 99 99 TYR CB C 99 42.700 43.164 -0.464 1 1 1206 . 1 1 1 A 99 99 TYR N N 99 115.850 117.337 -1.487 1 1 1207 . 1 1 1 A 100 100 ILE H H 100 10.120 9.265 0.855 1 1 1208 . 1 1 1 A 100 100 ILE HA H 100 4.600 4.832 -0.232 1 1 1218 . 1 1 1 A 100 100 ILE C C 100 172.730 175.321 -2.591 1 1 1219 . 1 1 1 A 100 100 ILE CA C 100 61.500 60.541 0.959 1 1 1220 . 1 1 1 A 100 100 ILE CB C 100 39.300 39.051 0.249 1 1 1224 . 1 1 1 A 100 100 ILE N N 100 127.260 124.537 2.723 1 1 1225 . 1 1 1 A 101 101 SER H H 101 9.010 9.162 -0.152 1 1 1226 . 1 1 1 A 101 101 SER HA H 101 4.820 4.820 0.000 1 1 1229 . 1 1 1 A 101 101 SER C C 101 174.660 175.787 -1.127 1 1 1230 . 1 1 1 A 101 101 SER CA C 101 55.900 57.479 -1.579 1 1 1231 . 1 1 1 A 101 101 SER CB C 101 67.000 64.644 2.356 1 1 1232 . 1 1 1 A 101 101 SER N N 101 123.850 122.835 1.015 1 1 1233 . 1 1 1 A 102 102 ALA H H 102 9.240 9.012 0.228 1 1 1234 . 1 1 1 A 102 102 ALA HA H 102 3.830 4.061 -0.231 1 1 1238 . 1 1 1 A 102 102 ALA C C 102 175.840 179.829 -3.989 1 1 1239 . 1 1 1 A 102 102 ALA CA C 102 56.170 55.846 0.324 1 1 1240 . 1 1 1 A 102 102 ALA CB C 102 18.200 17.936 0.264 1 1 1241 . 1 1 1 A 102 102 ALA N N 102 122.650 130.222 -7.572 1 1 1242 . 1 1 1 A 103 103 ALA H H 103 8.180 8.197 -0.017 1 1 1243 . 1 1 1 A 103 103 ALA HA H 103 3.980 3.980 0.000 1 1 1247 . 1 1 1 A 103 103 ALA C C 103 175.260 180.260 -5.000 1 1 1248 . 1 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 1 1 1 A 103 103 ALA CB C 103 18.500 18.734 -0.234 1 1 1250 . 1 1 1 A 103 103 ALA N N 103 118.250 119.580 -1.330 1 1 1251 . 1 1 1 A 104 104 GLU H H 104 7.860 7.915 -0.055 1 1 1252 . 1 1 1 A 104 104 GLU HA H 104 3.890 3.937 -0.047 1 1 1257 . 1 1 1 A 104 104 GLU C C 104 179.350 179.070 0.280 1 1 1258 . 1 1 1 A 104 104 GLU CA C 104 59.800 59.450 0.350 1 1 1259 . 1 1 1 A 104 104 GLU CB C 104 29.500 29.652 -0.152 1 1 1261 . 1 1 1 A 104 104 GLU N N 104 120.200 118.072 2.128 1 1 1262 . 1 1 1 A 105 105 LEU H H 105 8.500 7.913 0.587 1 1 1263 . 1 1 1 A 105 105 LEU HA H 105 3.960 3.948 0.012 1 1 1273 . 1 1 1 A 105 105 LEU C C 105 179.190 178.546 0.644 1 1 1274 . 1 1 1 A 105 105 LEU CA C 105 58.400 57.838 0.562 1 1 1275 . 1 1 1 A 105 105 LEU CB C 105 42.600 41.556 1.044 1 1 1279 . 1 1 1 A 105 105 LEU N N 105 120.100 121.142 -1.042 1 1 1280 . 1 1 1 A 106 106 ARG H H 106 8.490 8.297 0.193 1 1 1281 . 1 1 1 A 106 106 ARG HA H 106 3.550 3.924 -0.374 1 1 1288 . 1 1 1 A 106 106 ARG C C 106 175.240 178.474 -3.234 1 1 1289 . 1 1 1 A 106 106 ARG CA C 106 60.300 59.405 0.895 1 1 1290 . 1 1 1 A 106 106 ARG CB C 106 30.400 29.854 0.546 1 1 1293 . 1 1 1 A 106 106 ARG N N 106 117.300 119.998 -2.698 1 1 1294 . 1 1 1 A 107 107 HIS H H 107 7.870 7.999 -0.129 1 1 1295 . 1 1 1 A 107 107 HIS HA H 107 4.120 4.136 -0.016 1 1 1300 . 1 1 1 A 107 107 HIS C C 107 176.690 177.320 -0.630 1 1 1301 . 1 1 1 A 107 107 HIS CA C 107 60.300 59.275 1.025 1 1 1302 . 1 1 1 A 107 107 HIS CB C 107 31.100 29.601 1.499 1 1 1304 . 1 1 1 A 107 107 HIS N N 107 120.000 119.502 0.498 1 1 1306 . 1 1 1 A 108 108 VAL H H 108 8.190 8.549 -0.359 1 1 1307 . 1 1 1 A 108 108 VAL HA H 108 3.400 3.265 0.135 1 1 1315 . 1 1 1 A 108 108 VAL C C 108 178.430 177.733 0.697 1 1 1316 . 1 1 1 A 108 108 VAL CA C 108 66.500 66.366 0.134 1 1 1317 . 1 1 1 A 108 108 VAL CB C 108 31.800 30.971 0.829 1 1 1320 . 1 1 1 A 108 108 VAL N N 108 118.980 119.454 -0.474 1 1 1321 . 1 1 1 A 109 109 MET H H 109 8.180 7.609 0.571 1 1 1322 . 1 1 1 A 109 109 MET HA H 109 4.220 4.030 0.190 1 1 1330 . 1 1 1 A 109 109 MET C C 109 179.690 178.907 0.783 1 1 1331 . 1 1 1 A 109 109 MET CA C 109 57.300 58.788 -1.488 1 1 1332 . 1 1 1 A 109 109 MET CB C 109 29.700 32.523 -2.823 1 1 1335 . 1 1 1 A 109 109 MET N N 109 114.980 117.566 -2.586 1 1 1336 . 1 1 1 A 110 110 THR H H 110 8.220 7.910 0.310 1 1 1337 . 1 1 1 A 110 110 THR HA H 110 4.000 3.774 0.226 1 1 1342 . 1 1 1 A 110 110 THR C C 110 176.410 176.427 -0.017 1 1 1343 . 1 1 1 A 110 110 THR CA C 110 67.100 67.047 0.053 1 1 1344 . 1 1 1 A 110 110 THR CB C 110 68.500 68.247 0.253 1 1 1346 . 1 1 1 A 110 110 THR N N 110 116.970 114.887 2.083 1 1 1347 . 1 1 1 A 111 111 ASN H H 111 7.780 7.557 0.223 1 1 1348 . 1 1 1 A 111 111 ASN HA H 111 4.320 4.452 -0.132 1 1 1353 . 1 1 1 A 111 111 ASN CA C 111 55.800 56.031 -0.231 1 1 1354 . 1 1 1 A 111 111 ASN CB C 111 38.200 37.876 0.324 1 1 1355 . 1 1 1 A 111 111 ASN N N 111 122.350 119.320 3.030 1 1 1357 . 1 1 1 A 112 112 LEU H H 112 7.480 7.474 0.006 1 1 1358 . 1 1 1 A 112 112 LEU HA H 112 4.210 4.246 -0.036 1 1 1368 . 1 1 1 A 112 112 LEU C C 112 178.710 176.967 1.743 1 1 1369 . 1 1 1 A 112 112 LEU CA C 112 55.100 55.335 -0.235 1 1 1370 . 1 1 1 A 112 112 LEU CB C 112 42.500 42.533 -0.033 1 1 1374 . 1 1 1 A 112 112 LEU N N 112 118.300 117.119 1.181 1 1 1375 . 1 1 1 A 113 113 GLY H H 113 7.740 7.965 -0.225 1 1 1376 . 1 1 1 A 113 113 GLY HA2 H 113 3.580 3.935 -0.355 1 1 1377 . 1 1 1 A 113 113 GLY HA3 H 113 4.140 3.943 0.197 1 1 1378 . 1 1 1 A 113 113 GLY C C 113 176.830 174.773 2.057 1 1 1379 . 1 1 1 A 113 113 GLY CA C 113 45.370 46.398 -1.028 1 1 1380 . 1 1 1 A 113 113 GLY N N 113 106.500 108.103 -1.603 1 1 1381 . 1 1 1 A 114 114 GLU H H 114 7.780 8.149 -0.369 1 1 1382 . 1 1 1 A 114 114 GLU HA H 114 4.240 4.358 -0.118 1 1 1387 . 1 1 1 A 114 114 GLU C C 114 176.790 176.174 0.616 1 1 1388 . 1 1 1 A 114 114 GLU CA C 114 54.800 56.443 -1.643 1 1 1389 . 1 1 1 A 114 114 GLU CB C 114 29.900 30.384 -0.484 1 1 1391 . 1 1 1 A 114 114 GLU N N 114 119.300 118.827 0.473 1 1 1392 . 1 1 1 A 115 115 LYS H H 115 8.540 7.994 0.546 1 1 1393 . 1 1 1 A 115 115 LYS HA H 115 4.270 3.953 0.317 1 1 1402 . 1 1 1 A 115 115 LYS C C 115 174.300 175.289 -0.989 1 1 1403 . 1 1 1 A 115 115 LYS CA C 115 55.500 57.146 -1.646 1 1 1404 . 1 1 1 A 115 115 LYS CB C 115 31.900 31.022 0.878 1 1 1408 . 1 1 1 A 115 115 LYS N N 115 125.000 119.677 5.323 1 1 1409 . 1 1 1 A 116 116 LEU H H 116 8.000 7.939 0.061 1 1 1410 . 1 1 1 A 116 116 LEU HA H 116 4.630 4.341 0.289 1 1 1420 . 1 1 1 A 116 116 LEU C C 116 175.060 177.862 -2.802 1 1 1421 . 1 1 1 A 116 116 LEU CA C 116 54.100 54.796 -0.696 1 1 1422 . 1 1 1 A 116 116 LEU CB C 116 44.100 42.643 1.457 1 1 1426 . 1 1 1 A 116 116 LEU N N 116 123.620 119.771 3.849 1 1 1427 . 1 1 1 A 117 117 THR H H 117 9.140 8.735 0.405 1 1 1428 . 1 1 1 A 117 117 THR HA H 117 4.340 4.624 -0.284 1 1 1433 . 1 1 1 A 117 117 THR C C 117 175.610 175.588 0.022 1 1 1434 . 1 1 1 A 117 117 THR CA C 117 60.500 60.604 -0.104 1 1 1435 . 1 1 1 A 117 117 THR CB C 117 71.100 71.384 -0.284 1 1 1437 . 1 1 1 A 117 117 THR N N 117 114.240 115.065 -0.825 1 1 1438 . 1 1 1 A 118 118 ASP H H 118 8.820 8.933 -0.113 1 1 1439 . 1 1 1 A 118 118 ASP HA H 118 4.100 4.284 -0.184 1 1 1442 . 1 1 1 A 118 118 ASP C C 118 178.610 178.319 0.291 1 1 1443 . 1 1 1 A 118 118 ASP CA C 118 58.000 58.144 -0.144 1 1 1444 . 1 1 1 A 118 118 ASP CB C 118 39.700 40.259 -0.559 1 1 1445 . 1 1 1 A 118 118 ASP N N 118 120.660 121.945 -1.285 1 1 1446 . 1 1 1 A 119 119 GLU H H 119 8.450 8.200 0.250 1 1 1447 . 1 1 1 A 119 119 GLU HA H 119 3.960 4.012 -0.052 1 1 1452 . 1 1 1 A 119 119 GLU C C 119 175.620 179.312 -3.692 1 1 1453 . 1 1 1 A 119 119 GLU CA C 119 59.800 59.713 0.087 1 1 1454 . 1 1 1 A 119 119 GLU CB C 119 29.400 29.248 0.152 1 1 1456 . 1 1 1 A 119 119 GLU N N 119 118.790 119.917 -1.127 1 1 1457 . 1 1 1 A 120 120 GLU H H 120 7.570 7.530 0.040 1 1 1458 . 1 1 1 A 120 120 GLU HA H 120 3.950 4.160 -0.210 1 1 1463 . 1 1 1 A 120 120 GLU C C 120 178.630 178.989 -0.359 1 1 1464 . 1 1 1 A 120 120 GLU CA C 120 59.600 58.814 0.786 1 1 1465 . 1 1 1 A 120 120 GLU CB C 120 29.400 29.038 0.362 1 1 1467 . 1 1 1 A 120 120 GLU N N 120 120.120 118.545 1.575 1 1 1468 . 1 1 1 A 121 121 VAL H H 121 7.750 8.107 -0.357 1 1 1469 . 1 1 1 A 121 121 VAL HA H 121 3.240 3.548 -0.308 1 1 1477 . 1 1 1 A 121 121 VAL C C 121 179.110 177.506 1.604 1 1 1478 . 1 1 1 A 121 121 VAL CA C 121 67.300 66.377 0.923 1 1 1479 . 1 1 1 A 121 121 VAL CB C 121 31.550 31.581 -0.031 1 1 1482 . 1 1 1 A 121 121 VAL N N 121 119.400 121.473 -2.073 1 1 1483 . 1 1 1 A 122 122 ASP H H 122 7.840 8.015 -0.175 1 1 1484 . 1 1 1 A 122 122 ASP HA H 122 4.260 4.356 -0.096 1 1 1487 . 1 1 1 A 122 122 ASP C C 122 178.890 178.646 0.244 1 1 1488 . 1 1 1 A 122 122 ASP CA C 122 57.700 57.100 0.600 1 1 1489 . 1 1 1 A 122 122 ASP CB C 122 40.200 40.248 -0.048 1 1 1490 . 1 1 1 A 122 122 ASP N N 122 118.550 119.511 -0.961 1 1 1491 . 1 1 1 A 123 123 GLU H H 123 8.110 8.337 -0.227 1 1 1492 . 1 1 1 A 123 123 GLU HA H 123 3.880 4.045 -0.165 1 1 1497 . 1 1 1 A 123 123 GLU C C 123 177.710 178.929 -1.219 1 1 1498 . 1 1 1 A 123 123 GLU CA C 123 59.600 59.368 0.232 1 1 1499 . 1 1 1 A 123 123 GLU CB C 123 29.400 29.252 0.148 1 1 1501 . 1 1 1 A 123 123 GLU N N 123 119.670 120.105 -0.435 1 1 1502 . 1 1 1 A 124 124 MET H H 124 8.000 8.106 -0.106 1 1 1503 . 1 1 1 A 124 124 MET HA H 124 3.700 4.178 -0.478 1 1 1511 . 1 1 1 A 124 124 MET C C 124 179.020 178.761 0.259 1 1 1512 . 1 1 1 A 124 124 MET CA C 124 60.700 58.827 1.873 1 1 1513 . 1 1 1 A 124 124 MET CB C 124 33.200 33.000 0.200 1 1 1516 . 1 1 1 A 124 124 MET N N 124 118.100 118.713 -0.613 1 1 1517 . 1 1 1 A 125 125 ILE H H 125 8.220 7.733 0.487 1 1 1518 . 1 1 1 A 125 125 ILE HA H 125 3.610 3.614 -0.004 1 1 1528 . 1 1 1 A 125 125 ILE C C 125 179.410 177.941 1.469 1 1 1529 . 1 1 1 A 125 125 ILE CA C 125 64.200 65.018 -0.818 1 1 1530 . 1 1 1 A 125 125 ILE CB C 125 36.000 37.841 -1.841 1 1 1534 . 1 1 1 A 125 125 ILE N N 125 121.400 119.484 1.916 1 1 1535 . 1 1 1 A 126 126 ARG H H 126 8.510 7.921 0.589 1 1 1536 . 1 1 1 A 126 126 ARG HA H 126 3.930 3.897 0.033 1 1 1543 . 1 1 1 A 126 126 ARG C C 126 178.070 178.818 -0.748 1 1 1544 . 1 1 1 A 126 126 ARG CA C 126 59.500 59.758 -0.258 1 1 1545 . 1 1 1 A 126 126 ARG CB C 126 30.300 29.674 0.626 1 1 1548 . 1 1 1 A 126 126 ARG N N 126 117.650 120.500 -2.850 1 1 1549 . 1 1 1 A 127 127 GLU H H 127 7.820 8.216 -0.396 1 1 1550 . 1 1 1 A 127 127 GLU HA H 127 3.880 4.031 -0.151 1 1 1555 . 1 1 1 A 127 127 GLU C C 127 180.080 178.204 1.876 1 1 1556 . 1 1 1 A 127 127 GLU CA C 127 58.300 59.442 -1.142 1 1 1557 . 1 1 1 A 127 127 GLU CB C 127 29.800 29.305 0.495 1 1 1559 . 1 1 1 A 127 127 GLU N N 127 115.300 118.653 -3.353 1 1 1560 . 1 1 1 A 128 128 ALA H H 128 6.960 7.255 -0.295 1 1 1561 . 1 1 1 A 128 128 ALA HA H 128 4.340 4.349 -0.009 1 1 1565 . 1 1 1 A 128 128 ALA C C 128 181.640 177.201 4.439 1 1 1566 . 1 1 1 A 128 128 ALA CA C 128 51.700 52.163 -0.463 1 1 1567 . 1 1 1 A 128 128 ALA CB C 128 22.400 20.157 2.243 1 1 1568 . 1 1 1 A 128 128 ALA N N 128 115.890 120.904 -5.014 1 1 1569 . 1 1 1 A 129 129 ASP H H 129 8.210 7.833 0.377 1 1 1570 . 1 1 1 A 129 129 ASP HA H 129 4.360 4.589 -0.229 1 1 1573 . 1 1 1 A 129 129 ASP C C 129 176.420 176.575 -0.155 1 1 1574 . 1 1 1 A 129 129 ASP CA C 129 54.300 54.010 0.290 1 1 1575 . 1 1 1 A 129 129 ASP CB C 129 40.400 40.553 -0.153 1 1 1576 . 1 1 1 A 129 129 ASP N N 129 117.100 118.491 -1.391 1 1 1577 . 1 1 1 A 130 130 ILE H H 130 8.250 8.837 -0.587 1 1 1578 . 1 1 1 A 130 130 ILE HA H 130 3.800 4.163 -0.363 1 1 1588 . 1 1 1 A 130 130 ILE C C 130 177.960 175.274 2.686 1 1 1589 . 1 1 1 A 130 130 ILE CA C 130 63.500 62.895 0.605 1 1 1590 . 1 1 1 A 130 130 ILE CB C 130 38.500 38.452 0.048 1 1 1594 . 1 1 1 A 130 130 ILE N N 130 127.900 126.909 0.991 1 1 1595 . 1 1 1 A 131 131 ASP H H 131 8.220 7.634 0.586 1 1 1596 . 1 1 1 A 131 131 ASP HA H 131 4.400 4.964 -0.564 1 1 1599 . 1 1 1 A 131 131 ASP C C 131 175.850 175.914 -0.064 1 1 1600 . 1 1 1 A 131 131 ASP CA C 131 53.800 52.470 1.330 1 1 1601 . 1 1 1 A 131 131 ASP CB C 131 39.900 44.016 -4.116 1 1 1602 . 1 1 1 A 131 131 ASP N N 131 116.250 117.760 -1.510 1 1 1603 . 1 1 1 A 132 132 GLY H H 132 7.520 9.067 -1.547 1 1 1604 . 1 1 1 A 132 132 GLY HA2 H 132 3.700 3.900 -0.200 1 1 1605 . 1 1 1 A 132 132 GLY HA3 H 132 3.900 3.904 -0.004 1 1 1606 . 1 1 1 A 132 132 GLY C C 132 177.820 175.066 2.754 1 1 1607 . 1 1 1 A 132 132 GLY CA C 132 47.400 47.230 0.170 1 1 1608 . 1 1 1 A 132 132 GLY N N 132 108.170 108.110 0.060 1 1 1609 . 1 1 1 A 133 133 ASP H H 133 8.240 8.343 -0.103 1 1 1610 . 1 1 1 A 133 133 ASP HA H 133 4.360 4.553 -0.193 1 1 1613 . 1 1 1 A 133 133 ASP C C 133 178.290 177.570 0.720 1 1 1614 . 1 1 1 A 133 133 ASP CA C 133 53.800 53.495 0.305 1 1 1615 . 1 1 1 A 133 133 ASP CB C 133 40.300 40.303 -0.003 1 1 1616 . 1 1 1 A 133 133 ASP N N 133 120.370 120.090 0.280 1 1 1617 . 1 1 1 A 134 134 GLY H H 134 10.140 9.477 0.663 1 1 1618 . 1 1 1 A 134 134 GLY HA2 H 134 3.300 3.832 -0.532 1 1 1619 . 1 1 1 A 134 134 GLY HA3 H 134 3.930 3.843 0.087 1 1 1620 . 1 1 1 A 134 134 GLY C C 134 175.350 173.238 2.112 1 1 1621 . 1 1 1 A 134 134 GLY CA C 134 45.900 45.630 0.270 1 1 1622 . 1 1 1 A 134 134 GLY N N 134 112.150 111.315 0.835 1 1 1623 . 1 1 1 A 135 135 GLN H H 135 7.910 8.129 -0.219 1 1 1624 . 1 1 1 A 135 135 GLN HA H 135 4.870 4.995 -0.125 1 1 1631 . 1 1 1 A 135 135 GLN C C 135 177.620 174.531 3.089 1 1 1632 . 1 1 1 A 135 135 GLN CA C 135 53.300 53.647 -0.347 1 1 1633 . 1 1 1 A 135 135 GLN CB C 135 33.000 32.633 0.367 1 1 1635 . 1 1 1 A 135 135 GLN N N 135 114.700 118.499 -3.799 1 1 1637 . 1 1 1 A 136 136 VAL H H 136 9.070 8.877 0.193 1 1 1638 . 1 1 1 A 136 136 VAL HA H 136 5.110 5.134 -0.024 1 1 1646 . 1 1 1 A 136 136 VAL C C 136 172.750 175.510 -2.760 1 1 1647 . 1 1 1 A 136 136 VAL CA C 136 61.800 61.708 0.092 1 1 1648 . 1 1 1 A 136 136 VAL CB C 136 34.100 33.012 1.088 1 1 1651 . 1 1 1 A 136 136 VAL N N 136 124.900 122.444 2.456 1 1 1652 . 1 1 1 A 137 137 ASN H H 137 9.450 8.844 0.606 1 1 1653 . 1 1 1 A 137 137 ASN HA H 137 5.240 5.101 0.139 1 1 1658 . 1 1 1 A 137 137 ASN CA C 137 51.400 52.273 -0.873 1 1 1659 . 1 1 1 A 137 137 ASN CB C 137 40.000 40.286 -0.286 1 1 1660 . 1 1 1 A 137 137 ASN N N 137 128.840 126.521 2.319 1 1 1662 . 1 1 1 A 138 138 TYR H H 138 8.330 8.870 -0.540 1 1 1663 . 1 1 1 A 138 138 TYR HA H 138 3.240 4.293 -1.053 1 1 1670 . 1 1 1 A 138 138 TYR C C 138 180.030 177.443 2.587 1 1 1671 . 1 1 1 A 138 138 TYR CA C 138 62.400 62.291 0.109 1 1 1672 . 1 1 1 A 138 138 TYR CB C 138 38.000 38.432 -0.432 1 1 1677 . 1 1 1 A 138 138 TYR N N 138 118.150 126.019 -7.869 1 1 1678 . 1 1 1 A 139 139 GLU H H 139 7.990 8.546 -0.556 1 1 1679 . 1 1 1 A 139 139 GLU HA H 139 3.520 3.982 -0.462 1 1 1684 . 1 1 1 A 139 139 GLU C C 139 179.170 179.089 0.081 1 1 1685 . 1 1 1 A 139 139 GLU CA C 139 60.550 60.148 0.402 1 1 1686 . 1 1 1 A 139 139 GLU CB C 139 29.100 29.807 -0.707 1 1 1688 . 1 1 1 A 139 139 GLU N N 139 118.100 119.088 -0.988 1 1 1689 . 1 1 1 A 140 140 GLU H H 140 8.640 8.183 0.457 1 1 1690 . 1 1 1 A 140 140 GLU HA H 140 3.780 4.101 -0.321 1 1 1695 . 1 1 1 A 140 140 GLU C C 140 181.440 178.970 2.470 1 1 1696 . 1 1 1 A 140 140 GLU CA C 140 58.800 58.995 -0.195 1 1 1697 . 1 1 1 A 140 140 GLU CB C 140 29.200 29.654 -0.454 1 1 1699 . 1 1 1 A 140 140 GLU N N 140 119.300 119.485 -0.185 1 1 1700 . 1 1 1 A 141 141 PHE H H 141 8.470 8.074 0.396 1 1 1701 . 1 1 1 A 141 141 PHE HA H 141 3.380 3.915 -0.535 1 1 1709 . 1 1 1 A 141 141 PHE C C 141 178.980 176.743 2.237 1 1 1710 . 1 1 1 A 141 141 PHE CA C 141 61.900 61.349 0.551 1 1 1711 . 1 1 1 A 141 141 PHE CB C 141 40.200 39.275 0.925 1 1 1717 . 1 1 1 A 141 141 PHE N N 141 123.640 121.855 1.785 1 1 1718 . 1 1 1 A 142 142 VAL H H 142 8.510 8.045 0.465 1 1 1719 . 1 1 1 A 142 142 VAL HA H 142 3.000 3.343 -0.343 1 1 1727 . 1 1 1 A 142 142 VAL C C 142 176.540 177.677 -1.137 1 1 1728 . 1 1 1 A 142 142 VAL CA C 142 66.900 66.395 0.505 1 1 1729 . 1 1 1 A 142 142 VAL CB C 142 31.450 31.328 0.122 1 1 1732 . 1 1 1 A 142 142 VAL N N 142 118.330 118.916 -0.586 1 1 1733 . 1 1 1 A 143 143 GLN H H 143 7.520 8.060 -0.540 1 1 1734 . 1 1 1 A 143 143 GLN HA H 143 3.750 3.908 -0.158 1 1 1741 . 1 1 1 A 143 143 GLN C C 143 176.630 178.035 -1.405 1 1 1742 . 1 1 1 A 143 143 GLN CA C 143 58.900 59.098 -0.198 1 1 1743 . 1 1 1 A 143 143 GLN CB C 143 28.200 28.126 0.074 1 1 1745 . 1 1 1 A 143 143 GLN N N 143 118.100 119.435 -1.335 1 1 1747 . 1 1 1 A 144 144 MET H H 144 7.250 7.738 -0.488 1 1 1748 . 1 1 1 A 144 144 MET HA H 144 4.090 4.191 -0.101 1 1 1756 . 1 1 1 A 144 144 MET C C 144 179.340 177.526 1.814 1 1 1757 . 1 1 1 A 144 144 MET CA C 144 56.750 57.859 -1.109 1 1 1758 . 1 1 1 A 144 144 MET CB C 144 30.800 32.381 -1.581 1 1 1761 . 1 1 1 A 144 144 MET N N 144 117.300 117.888 -0.588 1 1 1762 . 1 1 1 A 145 145 MET H H 145 7.460 7.571 -0.111 1 1 1763 . 1 1 1 A 145 145 MET HA H 145 3.900 4.392 -0.492 1 1 1771 . 1 1 1 A 145 145 MET C C 145 178.110 176.682 1.428 1 1 1772 . 1 1 1 A 145 145 MET CA C 145 56.800 54.815 1.985 1 1 1773 . 1 1 1 A 145 145 MET CB C 145 31.800 30.827 0.973 1 1 1776 . 1 1 1 A 145 145 MET N N 145 114.350 117.931 -3.581 1 1 1777 . 1 1 1 A 146 146 THR H H 146 7.560 7.701 -0.141 1 1 1778 . 1 1 1 A 146 146 THR HA H 146 4.220 4.269 -0.049 1 1 1783 . 1 1 1 A 146 146 THR C C 146 177.440 175.345 2.095 1 1 1784 . 1 1 1 A 146 146 THR CA C 146 62.650 62.352 0.298 1 1 1785 . 1 1 1 A 146 146 THR CB C 146 69.700 67.951 1.749 1 1 1787 . 1 1 1 A 146 146 THR N N 146 109.350 114.726 -5.376 1 1 1788 . 1 1 1 A 147 147 ALA H H 147 7.420 7.726 -0.306 1 1 1789 . 1 1 1 A 147 147 ALA HA H 147 4.170 3.958 0.212 1 1 1793 . 1 1 1 A 147 147 ALA C C 147 177.480 179.208 -1.728 1 1 1794 . 1 1 1 A 147 147 ALA CA C 147 52.900 54.867 -1.967 1 1 1795 . 1 1 1 A 147 147 ALA CB C 147 19.200 18.893 0.307 1 1 1796 . 1 1 1 A 147 147 ALA N N 147 125.650 126.332 -0.682 1 1 1814 . 1 2 2 B 1 1 ARG H H 1088 8.270 8.987 -0.717 1 1 1815 . 1 2 2 B 1 1 ARG HA H 1088 3.860 4.031 -0.171 1 1 1822 . 1 2 2 B 1 1 ARG CA C 1088 59.900 56.976 2.924 1 1 1823 . 1 2 2 B 1 1 ARG CB C 1088 29.900 29.379 0.521 1 1 1826 . 1 2 2 B 1 1 ARG N N 1088 117.300 123.376 -6.076 1 1 1827 . 1 2 2 B 2 2 GLY H H 1089 9.370 7.887 1.483 1 1 1828 . 1 2 2 B 2 2 GLY HA2 H 1089 3.520 3.952 -0.432 1 1 1829 . 1 2 2 B 2 2 GLY HA3 H 1089 3.730 3.977 -0.247 1 1 1830 . 1 2 2 B 2 2 GLY C C 1089 176.650 175.560 1.090 1 1 1831 . 1 2 2 B 2 2 GLY CA C 1089 47.200 46.504 0.696 1 1 1832 . 1 2 2 B 2 2 GLY N N 1089 105.000 108.817 -3.817 1 1 1833 . 1 2 2 B 3 3 GLN H H 1090 6.980 7.875 -0.895 1 1 1834 . 1 2 2 B 3 3 GLN HA H 1090 3.830 4.118 -0.288 1 1 1841 . 1 2 2 B 3 3 GLN C C 1090 177.680 178.706 -1.026 1 1 1842 . 1 2 2 B 3 3 GLN CA C 1090 59.100 58.698 0.402 1 1 1843 . 1 2 2 B 3 3 GLN CB C 1090 29.800 28.439 1.361 1 1 1845 . 1 2 2 B 3 3 GLN N N 1090 117.350 119.604 -2.254 1 1 1847 . 1 2 2 B 4 4 ILE H H 1091 7.760 7.793 -0.033 1 1 1848 . 1 2 2 B 4 4 ILE HA H 1091 3.480 3.773 -0.293 1 1 1858 . 1 2 2 B 4 4 ILE C C 1091 175.070 178.358 -3.288 1 1 1859 . 1 2 2 B 4 4 ILE CA C 1091 65.600 65.715 -0.115 1 1 1860 . 1 2 2 B 4 4 ILE CB C 1091 38.000 38.318 -0.318 1 1 1864 . 1 2 2 B 4 4 ILE N N 1091 119.650 121.229 -1.579 1 1 1865 . 1 2 2 B 5 5 LEU H H 1092 7.830 8.301 -0.471 1 1 1866 . 1 2 2 B 5 5 LEU HA H 1092 3.820 3.920 -0.100 1 1 1876 . 1 2 2 B 5 5 LEU C C 1092 176.220 179.132 -2.912 1 1 1877 . 1 2 2 B 5 5 LEU CA C 1092 58.250 58.399 -0.149 1 1 1878 . 1 2 2 B 5 5 LEU CB C 1092 41.700 41.816 -0.116 1 1 1882 . 1 2 2 B 5 5 LEU N N 1092 119.200 118.400 0.800 1 1 1883 . 1 2 2 B 6 6 TRP H H 1093 7.650 8.318 -0.668 1 1 1884 . 1 2 2 B 6 6 TRP HA H 1093 4.120 4.336 -0.216 1 1 1893 . 1 2 2 B 6 6 TRP C C 1093 178.490 179.214 -0.724 1 1 1894 . 1 2 2 B 6 6 TRP CA C 1093 61.100 60.490 0.610 1 1 1895 . 1 2 2 B 6 6 TRP CB C 1093 30.000 29.584 0.416 1 1 1901 . 1 2 2 B 6 6 TRP N N 1093 119.200 118.766 0.434 1 1 1903 . 1 2 2 B 7 7 PHE H H 1094 8.400 8.597 -0.197 1 1 1904 . 1 2 2 B 7 7 PHE HA H 1094 4.390 4.222 0.168 1 1 1912 . 1 2 2 B 7 7 PHE C C 1094 178.840 177.464 1.376 1 1 1913 . 1 2 2 B 7 7 PHE CA C 1094 59.700 61.513 -1.813 1 1 1914 . 1 2 2 B 7 7 PHE CB C 1094 37.000 39.132 -2.132 1 1 1919 . 1 2 2 B 7 7 PHE N N 1094 117.800 119.764 -1.964 1 1 1920 . 1 2 2 B 8 8 ARG H H 1095 8.360 8.240 0.120 1 1 1921 . 1 2 2 B 8 8 ARG HA H 1095 4.140 3.983 0.157 1 1 1928 . 1 2 2 B 8 8 ARG C C 1095 178.290 178.999 -0.709 1 1 1929 . 1 2 2 B 8 8 ARG CA C 1095 59.600 59.679 -0.079 1 1 1930 . 1 2 2 B 8 8 ARG CB C 1095 30.500 30.218 0.282 1 1 1933 . 1 2 2 B 8 8 ARG N N 1095 120.800 117.836 2.964 1 1 1934 . 1 2 2 B 9 9 GLY H H 1096 8.330 8.233 0.097 1 1 1935 . 1 2 2 B 9 9 GLY HA2 H 1096 3.560 3.563 -0.003 1 1 1936 . 1 2 2 B 9 9 GLY HA3 H 1096 3.720 3.577 0.143 1 1 1937 . 1 2 2 B 9 9 GLY C C 1096 178.010 175.557 2.453 1 1 1938 . 1 2 2 B 9 9 GLY CA C 1096 47.200 47.267 -0.067 1 1 1939 . 1 2 2 B 9 9 GLY N N 1096 106.400 107.117 -0.717 1 1 1940 . 1 2 2 B 10 10 LEU H H 1097 9.090 8.043 1.047 1 1 1941 . 1 2 2 B 10 10 LEU HA H 1097 4.150 3.908 0.242 1 1 1951 . 1 2 2 B 10 10 LEU C C 1097 178.820 178.506 0.314 1 1 1952 . 1 2 2 B 10 10 LEU CA C 1097 58.500 57.141 1.359 1 1 1953 . 1 2 2 B 10 10 LEU CB C 1097 41.600 41.144 0.456 1 1 1957 . 1 2 2 B 10 10 LEU N N 1097 120.900 122.570 -1.670 1 1 1958 . 1 2 2 B 11 11 ASN H H 1098 8.380 7.946 0.434 1 1 1959 . 1 2 2 B 11 11 ASN HA H 1098 4.440 4.225 0.215 1 1 1964 . 1 2 2 B 11 11 ASN CA C 1098 56.700 56.361 0.339 1 1 1965 . 1 2 2 B 11 11 ASN CB C 1098 38.700 37.508 1.192 1 1 1966 . 1 2 2 B 11 11 ASN N N 1098 116.900 115.465 1.435 1 1 1968 . 1 2 2 B 12 12 ARG H H 1099 7.900 7.347 0.553 1 1 1969 . 1 2 2 B 12 12 ARG HA H 1099 3.980 4.044 -0.064 1 1 1976 . 1 2 2 B 12 12 ARG C C 1099 178.360 178.369 -0.009 1 1 1977 . 1 2 2 B 12 12 ARG CA C 1099 60.200 59.087 1.113 1 1 1978 . 1 2 2 B 12 12 ARG CB C 1099 32.600 29.960 2.640 1 1 1981 . 1 2 2 B 12 12 ARG N N 1099 120.100 119.665 0.435 1 1 1982 . 1 2 2 B 13 13 ILE H H 1100 8.230 7.727 0.503 1 1 1983 . 1 2 2 B 13 13 ILE HA H 1100 3.840 3.630 0.210 1 1 1993 . 1 2 2 B 13 13 ILE C C 1100 178.110 177.900 0.210 1 1 1994 . 1 2 2 B 13 13 ILE CA C 1100 63.800 65.418 -1.618 1 1 1995 . 1 2 2 B 13 13 ILE CB C 1100 37.300 37.593 -0.293 1 1 1999 . 1 2 2 B 13 13 ILE N N 1100 120.350 120.954 -0.604 1 1 2000 . 1 2 2 B 14 14 GLN H H 1101 8.830 7.724 1.106 1 1 2001 . 1 2 2 B 14 14 GLN HA H 1101 3.990 3.920 0.070 1 1 2008 . 1 2 2 B 14 14 GLN C C 1101 177.860 178.805 -0.945 1 1 2009 . 1 2 2 B 14 14 GLN CA C 1101 60.000 59.131 0.869 1 1 2010 . 1 2 2 B 14 14 GLN CB C 1101 28.800 28.336 0.464 1 1 2012 . 1 2 2 B 14 14 GLN N N 1101 118.700 118.017 0.683 1 1 2014 . 1 2 2 B 15 15 THR H H 1102 8.140 7.619 0.521 1 1 2015 . 1 2 2 B 15 15 THR HA H 1102 3.890 3.791 0.099 1 1 2020 . 1 2 2 B 15 15 THR C C 1102 177.470 176.551 0.919 1 1 2021 . 1 2 2 B 15 15 THR CA C 1102 67.400 67.612 -0.212 1 1 2022 . 1 2 2 B 15 15 THR CB C 1102 70.300 68.454 1.846 1 1 2024 . 1 2 2 B 15 15 THR N N 1102 117.500 117.475 0.025 1 1 2025 . 1 2 2 B 16 16 GLN H H 1103 8.320 8.319 0.001 1 1 2026 . 1 2 2 B 16 16 GLN HA H 1103 4.100 3.930 0.170 1 1 2033 . 1 2 2 B 16 16 GLN C C 1103 178.890 178.496 0.394 1 1 2034 . 1 2 2 B 16 16 GLN CA C 1103 60.600 59.244 1.356 1 1 2035 . 1 2 2 B 16 16 GLN CB C 1103 30.500 28.445 2.055 1 1 2037 . 1 2 2 B 16 16 GLN N N 1103 120.650 119.130 1.520 1 1 2039 . 1 2 2 B 17 17 ILE H H 1104 8.690 7.351 1.339 1 1 2040 . 1 2 2 B 17 17 ILE HA H 1104 3.470 3.973 -0.503 1 1 2050 . 1 2 2 B 17 17 ILE C C 1104 175.230 177.916 -2.686 1 1 2051 . 1 2 2 B 17 17 ILE CA C 1104 66.150 62.024 4.126 1 1 2052 . 1 2 2 B 17 17 ILE CB C 1104 38.300 38.028 0.272 1 1 2056 . 1 2 2 B 17 17 ILE N N 1104 119.400 120.176 -0.776 1 1 2057 . 1 2 2 B 18 18 LYS H H 1105 7.950 8.806 -0.856 1 1 2058 . 1 2 2 B 18 18 LYS HA H 1105 3.900 3.976 -0.076 1 1 2067 . 1 2 2 B 18 18 LYS C C 1105 177.660 178.615 -0.955 1 1 2068 . 1 2 2 B 18 18 LYS CA C 1105 60.050 59.805 0.245 1 1 2069 . 1 2 2 B 18 18 LYS CB C 1105 32.700 32.168 0.532 1 1 2073 . 1 2 2 B 18 18 LYS N N 1105 120.280 123.485 -3.205 1 1 2074 . 1 2 2 B 19 19 VAL H H 1106 8.280 7.622 0.658 1 1 2075 . 1 2 2 B 19 19 VAL HA H 1106 3.430 3.801 -0.371 1 1 2083 . 1 2 2 B 19 19 VAL C C 1106 177.660 178.363 -0.703 1 1 2084 . 1 2 2 B 19 19 VAL CA C 1106 65.900 66.611 -0.711 1 1 2085 . 1 2 2 B 19 19 VAL CB C 1106 31.400 31.736 -0.336 1 1 2088 . 1 2 2 B 19 19 VAL N N 1106 120.660 119.460 1.200 1 1 2089 . 1 2 2 B 20 20 VAL H H 1107 8.420 8.019 0.401 1 1 2090 . 1 2 2 B 20 20 VAL HA H 1107 3.580 3.913 -0.333 1 1 2098 . 1 2 2 B 20 20 VAL C C 1107 178.930 178.303 0.627 1 1 2099 . 1 2 2 B 20 20 VAL CA C 1107 68.390 65.958 2.432 1 1 2100 . 1 2 2 B 20 20 VAL CB C 1107 31.200 31.435 -0.235 1 1 2103 . 1 2 2 B 20 20 VAL N N 1107 119.990 116.468 3.522 1 1 2104 . 1 2 2 B 21 21 LYS H H 1108 8.300 8.157 0.143 1 1 2105 . 1 2 2 B 21 21 LYS HA H 1108 4.050 4.060 -0.010 1 1 2114 . 1 2 2 B 21 21 LYS C C 1108 177.230 178.880 -1.650 1 1 2115 . 1 2 2 B 21 21 LYS CA C 1108 59.980 59.811 0.169 1 1 2116 . 1 2 2 B 21 21 LYS CB C 1108 32.400 32.211 0.189 1 1 2120 . 1 2 2 B 21 21 LYS N N 1108 119.290 122.123 -2.833 1 1 2121 . 1 2 2 B 22 22 ALA H H 1109 7.690 8.045 -0.355 1 1 2122 . 1 2 2 B 22 22 ALA HA H 1109 3.900 4.198 -0.298 1 1 2126 . 1 2 2 B 22 22 ALA C C 1109 178.200 179.694 -1.494 1 1 2127 . 1 2 2 B 22 22 ALA CA C 1109 54.950 55.162 -0.212 1 1 2128 . 1 2 2 B 22 22 ALA CB C 1109 22.000 18.709 3.291 1 1 2129 . 1 2 2 B 22 22 ALA N N 1109 123.910 122.359 1.551 1 1 2130 . 1 2 2 B 23 23 PHE H H 1110 7.920 8.289 -0.369 1 1 2131 . 1 2 2 B 23 23 PHE HA H 1110 4.120 4.300 -0.180 1 1 2139 . 1 2 2 B 23 23 PHE C C 1110 178.840 178.503 0.337 1 1 2140 . 1 2 2 B 23 23 PHE CA C 1110 61.260 60.758 0.502 1 1 2141 . 1 2 2 B 23 23 PHE CB C 1110 40.200 39.041 1.159 1 1 2147 . 1 2 2 B 23 23 PHE N N 1110 118.200 115.662 2.538 1 1 2148 . 1 2 2 B 24 24 HIS H H 1111 7.960 8.128 -0.168 1 1 2149 . 1 2 2 B 24 24 HIS HA H 1111 4.530 4.308 0.222 1 1 2155 . 1 2 2 B 24 24 HIS C C 1111 178.710 174.961 3.749 1 1 2156 . 1 2 2 B 24 24 HIS CA C 1111 57.200 60.002 -2.802 1 1 2157 . 1 2 2 B 24 24 HIS CB C 1111 30.200 30.344 -0.144 1 1 2160 . 1 2 2 B 24 24 HIS N N 1111 117.760 119.735 -1.975 1 1 2162 . 1 2 2 B 25 25 SER H H 1112 7.980 8.458 -0.478 1 1 2163 . 1 2 2 B 25 25 SER HA H 1112 4.340 3.985 0.355 1 1 2166 . 1 2 2 B 25 25 SER C C 1112 177.230 174.264 2.966 1 1 2167 . 1 2 2 B 25 25 SER CA C 1112 58.570 59.530 -0.960 1 1 2168 . 1 2 2 B 25 25 SER CB C 1112 63.800 61.450 2.350 1 1 2169 . 1 2 2 B 25 25 SER N N 1112 116.970 113.342 3.628 1 1 9 . 2 1 1 A 2 2 ASP H H 2 8.220 8.622 -0.402 1 1 10 . 2 1 1 A 2 2 ASP HA H 2 4.500 4.345 0.155 1 1 13 . 2 1 1 A 2 2 ASP CA C 2 54.750 57.915 -3.165 1 1 14 . 2 1 1 A 2 2 ASP CB C 2 41.350 40.903 0.447 1 1 15 . 2 1 1 A 2 2 ASP N N 2 121.760 118.216 3.544 1 1 16 . 2 1 1 A 3 3 GLN H H 3 8.320 8.194 0.126 1 1 17 . 2 1 1 A 3 3 GLN HA H 3 4.240 4.892 -0.652 1 1 24 . 2 1 1 A 3 3 GLN CA C 3 55.750 56.433 -0.683 1 1 25 . 2 1 1 A 3 3 GLN CB C 3 29.700 28.891 0.809 1 1 27 . 2 1 1 A 3 3 GLN N N 3 119.800 117.928 1.872 1 1 29 . 2 1 1 A 4 4 LEU H H 4 8.250 8.188 0.062 1 1 30 . 2 1 1 A 4 4 LEU HA H 4 4.540 4.402 0.138 1 1 40 . 2 1 1 A 4 4 LEU C C 4 175.740 176.600 -0.860 1 1 41 . 2 1 1 A 4 4 LEU CA C 4 54.600 55.609 -1.009 1 1 42 . 2 1 1 A 4 4 LEU CB C 4 43.600 44.514 -0.914 1 1 46 . 2 1 1 A 4 4 LEU N N 4 123.100 123.731 -0.631 1 1 47 . 2 1 1 A 5 5 THR H H 5 8.680 7.474 1.206 1 1 48 . 2 1 1 A 5 5 THR HA H 5 4.350 4.281 0.069 1 1 53 . 2 1 1 A 5 5 THR C C 5 175.750 175.526 0.224 1 1 54 . 2 1 1 A 5 5 THR CA C 5 60.500 64.070 -3.570 1 1 55 . 2 1 1 A 5 5 THR CB C 5 71.100 68.962 2.138 1 1 57 . 2 1 1 A 5 5 THR N N 5 112.700 115.241 -2.541 1 1 58 . 2 1 1 A 6 6 GLU H H 6 8.950 9.017 -0.067 1 1 59 . 2 1 1 A 6 6 GLU HA H 6 3.880 3.943 -0.063 1 1 64 . 2 1 1 A 6 6 GLU C C 6 177.790 178.445 -0.655 1 1 65 . 2 1 1 A 6 6 GLU CA C 6 60.200 60.184 0.016 1 1 66 . 2 1 1 A 6 6 GLU CB C 6 29.300 29.606 -0.306 1 1 68 . 2 1 1 A 6 6 GLU N N 6 119.950 126.712 -6.762 1 1 69 . 2 1 1 A 7 7 GLU H H 7 8.660 8.082 0.578 1 1 70 . 2 1 1 A 7 7 GLU HA H 7 3.940 3.991 -0.051 1 1 75 . 2 1 1 A 7 7 GLU C C 7 175.460 178.779 -3.319 1 1 76 . 2 1 1 A 7 7 GLU CA C 7 60.200 59.797 0.403 1 1 77 . 2 1 1 A 7 7 GLU CB C 7 29.100 29.318 -0.218 1 1 79 . 2 1 1 A 7 7 GLU N N 7 119.250 119.101 0.149 1 1 80 . 2 1 1 A 8 8 GLN H H 8 7.670 7.678 -0.008 1 1 81 . 2 1 1 A 8 8 GLN HA H 8 3.760 4.049 -0.289 1 1 88 . 2 1 1 A 8 8 GLN C C 8 179.600 179.032 0.568 1 1 89 . 2 1 1 A 8 8 GLN CA C 8 58.800 58.587 0.213 1 1 90 . 2 1 1 A 8 8 GLN CB C 8 29.300 28.649 0.651 1 1 92 . 2 1 1 A 8 8 GLN N N 8 120.000 118.435 1.565 1 1 94 . 2 1 1 A 9 9 ILE H H 9 8.280 8.834 -0.554 1 1 95 . 2 1 1 A 9 9 ILE HA H 9 3.580 3.873 -0.293 1 1 105 . 2 1 1 A 9 9 ILE C C 9 179.270 177.931 1.339 1 1 106 . 2 1 1 A 9 9 ILE CA C 9 66.400 65.785 0.615 1 1 107 . 2 1 1 A 9 9 ILE CB C 9 38.100 37.716 0.384 1 1 111 . 2 1 1 A 9 9 ILE N N 9 119.400 121.294 -1.894 1 1 112 . 2 1 1 A 10 10 ALA H H 10 7.950 8.135 -0.185 1 1 113 . 2 1 1 A 10 10 ALA HA H 10 4.020 4.001 0.019 1 1 117 . 2 1 1 A 10 10 ALA C C 10 178.490 179.931 -1.441 1 1 118 . 2 1 1 A 10 10 ALA CA C 10 55.400 55.819 -0.419 1 1 119 . 2 1 1 A 10 10 ALA CB C 10 17.950 18.366 -0.416 1 1 120 . 2 1 1 A 10 10 ALA N N 10 121.000 122.154 -1.154 1 1 121 . 2 1 1 A 11 11 GLU H H 11 7.730 7.905 -0.175 1 1 122 . 2 1 1 A 11 11 GLU HA H 11 4.030 3.967 0.063 1 1 127 . 2 1 1 A 11 11 GLU C C 11 177.860 179.431 -1.571 1 1 128 . 2 1 1 A 11 11 GLU CA C 11 59.500 59.190 0.310 1 1 129 . 2 1 1 A 11 11 GLU CB C 11 29.500 29.541 -0.041 1 1 131 . 2 1 1 A 11 11 GLU N N 11 119.700 118.292 1.408 1 1 132 . 2 1 1 A 12 12 PHE H H 12 8.470 8.374 0.096 1 1 133 . 2 1 1 A 12 12 PHE HA H 12 4.910 4.359 0.551 1 1 141 . 2 1 1 A 12 12 PHE C C 12 181.140 178.138 3.002 1 1 142 . 2 1 1 A 12 12 PHE CA C 12 59.200 61.842 -2.642 1 1 143 . 2 1 1 A 12 12 PHE CB C 12 37.700 38.708 -1.008 1 1 149 . 2 1 1 A 12 12 PHE N N 12 119.900 119.435 0.465 1 1 150 . 2 1 1 A 13 13 LYS H H 13 9.180 8.588 0.592 1 1 151 . 2 1 1 A 13 13 LYS HA H 13 3.860 3.853 0.007 1 1 160 . 2 1 1 A 13 13 LYS C C 13 180.730 178.705 2.025 1 1 161 . 2 1 1 A 13 13 LYS CA C 13 60.300 59.975 0.325 1 1 162 . 2 1 1 A 13 13 LYS CB C 13 31.900 32.639 -0.739 1 1 166 . 2 1 1 A 13 13 LYS N N 13 124.000 120.414 3.586 1 1 167 . 2 1 1 A 14 14 GLU H H 14 7.770 7.986 -0.216 1 1 168 . 2 1 1 A 14 14 GLU HA H 14 4.050 4.054 -0.004 1 1 173 . 2 1 1 A 14 14 GLU C C 14 178.750 179.024 -0.274 1 1 174 . 2 1 1 A 14 14 GLU CA C 14 59.300 59.483 -0.183 1 1 175 . 2 1 1 A 14 14 GLU CB C 14 29.300 29.277 0.023 1 1 177 . 2 1 1 A 14 14 GLU N N 14 120.060 118.339 1.721 1 1 178 . 2 1 1 A 15 15 ALA H H 15 8.020 7.639 0.381 1 1 179 . 2 1 1 A 15 15 ALA HA H 15 4.110 4.169 -0.059 1 1 183 . 2 1 1 A 15 15 ALA C C 15 179.220 179.888 -0.668 1 1 184 . 2 1 1 A 15 15 ALA CA C 15 55.900 54.938 0.962 1 1 185 . 2 1 1 A 15 15 ALA CB C 15 18.430 18.134 0.296 1 1 186 . 2 1 1 A 15 15 ALA N N 15 121.660 122.632 -0.972 1 1 187 . 2 1 1 A 16 16 PHE H H 16 8.700 8.043 0.657 1 1 188 . 2 1 1 A 16 16 PHE HA H 16 3.190 3.623 -0.433 1 1 196 . 2 1 1 A 16 16 PHE C C 16 176.350 178.422 -2.072 1 1 197 . 2 1 1 A 16 16 PHE CA C 16 62.300 59.506 2.794 1 1 198 . 2 1 1 A 16 16 PHE CB C 16 39.800 37.829 1.971 1 1 204 . 2 1 1 A 16 16 PHE N N 16 118.400 116.522 1.878 1 1 205 . 2 1 1 A 17 17 SER H H 17 8.040 7.660 0.380 1 1 206 . 2 1 1 A 17 17 SER HA H 17 4.110 4.100 0.010 1 1 209 . 2 1 1 A 17 17 SER C C 17 178.820 175.757 3.063 1 1 210 . 2 1 1 A 17 17 SER CA C 17 61.600 61.719 -0.119 1 1 211 . 2 1 1 A 17 17 SER CB C 17 63.200 63.084 0.116 1 1 212 . 2 1 1 A 17 17 SER N N 17 114.290 115.344 -1.054 1 1 213 . 2 1 1 A 18 18 LEU H H 18 7.440 7.315 0.125 1 1 214 . 2 1 1 A 18 18 LEU HA H 18 3.970 3.970 0.000 1 1 224 . 2 1 1 A 18 18 LEU C C 18 178.630 178.115 0.515 1 1 225 . 2 1 1 A 18 18 LEU CA C 18 56.800 57.457 -0.657 1 1 226 . 2 1 1 A 18 18 LEU CB C 18 42.600 41.677 0.923 1 1 230 . 2 1 1 A 18 18 LEU N N 18 118.200 121.350 -3.150 1 1 231 . 2 1 1 A 19 19 PHE H H 19 7.330 6.347 0.983 1 1 232 . 2 1 1 A 19 19 PHE HA H 19 3.950 4.656 -0.706 1 1 240 . 2 1 1 A 19 19 PHE C C 19 174.460 175.386 -0.926 1 1 241 . 2 1 1 A 19 19 PHE CA C 19 59.300 57.078 2.222 1 1 242 . 2 1 1 A 19 19 PHE CB C 19 41.800 39.676 2.124 1 1 248 . 2 1 1 A 19 19 PHE N N 19 114.900 112.947 1.953 1 1 249 . 2 1 1 A 20 20 ASP H H 20 7.780 6.935 0.845 1 1 250 . 2 1 1 A 20 20 ASP HA H 20 4.480 4.937 -0.457 1 1 253 . 2 1 1 A 20 20 ASP C C 20 176.700 175.913 0.787 1 1 254 . 2 1 1 A 20 20 ASP CA C 20 52.400 53.316 -0.916 1 1 255 . 2 1 1 A 20 20 ASP CB C 20 39.400 39.299 0.101 1 1 256 . 2 1 1 A 20 20 ASP N N 20 117.700 122.266 -4.566 1 1 257 . 2 1 1 A 21 21 LYS H H 21 7.480 8.163 -0.683 1 1 258 . 2 1 1 A 21 21 LYS HA H 21 3.840 3.941 -0.101 1 1 267 . 2 1 1 A 21 21 LYS C C 21 175.550 177.430 -1.880 1 1 268 . 2 1 1 A 21 21 LYS CA C 21 58.300 59.424 -1.124 1 1 269 . 2 1 1 A 21 21 LYS CB C 21 32.600 32.358 0.242 1 1 273 . 2 1 1 A 21 21 LYS N N 21 124.200 126.037 -1.837 1 1 274 . 2 1 1 A 22 22 ASP H H 22 7.910 7.989 -0.079 1 1 275 . 2 1 1 A 22 22 ASP HA H 22 4.460 4.646 -0.186 1 1 278 . 2 1 1 A 22 22 ASP C C 22 176.920 177.846 -0.926 1 1 279 . 2 1 1 A 22 22 ASP CA C 22 53.400 53.108 0.292 1 1 280 . 2 1 1 A 22 22 ASP CB C 22 39.800 39.808 -0.008 1 1 281 . 2 1 1 A 22 22 ASP N N 22 113.500 115.284 -1.784 1 1 282 . 2 1 1 A 23 23 GLY H H 23 7.540 8.001 -0.461 1 1 283 . 2 1 1 A 23 23 GLY HA2 H 23 3.730 3.876 -0.146 1 1 284 . 2 1 1 A 23 23 GLY HA3 H 23 3.730 3.879 -0.149 1 1 285 . 2 1 1 A 23 23 GLY C C 23 178.030 175.132 2.898 1 1 286 . 2 1 1 A 23 23 GLY CA C 23 47.400 47.293 0.107 1 1 287 . 2 1 1 A 23 23 GLY N N 23 109.200 108.898 0.302 1 1 288 . 2 1 1 A 24 24 ASP H H 24 8.430 7.842 0.588 1 1 289 . 2 1 1 A 24 24 ASP HA H 24 4.410 4.582 -0.172 1 1 292 . 2 1 1 A 24 24 ASP C C 24 177.580 177.535 0.045 1 1 293 . 2 1 1 A 24 24 ASP CA C 24 53.770 53.568 0.202 1 1 294 . 2 1 1 A 24 24 ASP CB C 24 40.200 40.406 -0.206 1 1 295 . 2 1 1 A 24 24 ASP N N 24 120.700 120.586 0.114 1 1 296 . 2 1 1 A 25 25 GLY H H 25 10.370 9.648 0.722 1 1 297 . 2 1 1 A 25 25 GLY HA2 H 25 4.240 3.993 0.247 1 1 298 . 2 1 1 A 25 25 GLY HA3 H 25 3.610 4.016 -0.406 1 1 299 . 2 1 1 A 25 25 GLY C C 25 175.160 173.553 1.607 1 1 300 . 2 1 1 A 25 25 GLY CA C 25 45.300 45.269 0.031 1 1 301 . 2 1 1 A 25 25 GLY N N 25 112.100 112.114 -0.014 1 1 302 . 2 1 1 A 26 26 THR H H 26 8.060 8.550 -0.490 1 1 303 . 2 1 1 A 26 26 THR HA H 26 5.430 4.950 0.480 1 1 308 . 2 1 1 A 26 26 THR C C 26 177.260 172.549 4.711 1 1 309 . 2 1 1 A 26 26 THR CA C 26 59.500 60.070 -0.570 1 1 310 . 2 1 1 A 26 26 THR CB C 26 72.800 71.537 1.263 1 1 312 . 2 1 1 A 26 26 THR N N 26 110.950 113.516 -2.566 1 1 313 . 2 1 1 A 27 27 ILE H H 27 9.890 8.698 1.192 1 1 314 . 2 1 1 A 27 27 ILE HA H 27 4.680 4.995 -0.315 1 1 324 . 2 1 1 A 27 27 ILE C C 27 173.810 175.753 -1.943 1 1 325 . 2 1 1 A 27 27 ILE CA C 27 61.250 60.544 0.706 1 1 326 . 2 1 1 A 27 27 ILE CB C 27 40.700 38.404 2.296 1 1 330 . 2 1 1 A 27 27 ILE N N 27 125.400 125.079 0.321 1 1 331 . 2 1 1 A 28 28 THR H H 28 8.290 8.359 -0.069 1 1 332 . 2 1 1 A 28 28 THR HA H 28 4.680 4.941 -0.261 1 1 337 . 2 1 1 A 28 28 THR C C 28 173.550 176.177 -2.627 1 1 338 . 2 1 1 A 28 28 THR CA C 28 59.200 59.423 -0.223 1 1 339 . 2 1 1 A 28 28 THR CB C 28 72.600 72.081 0.519 1 1 341 . 2 1 1 A 28 28 THR N N 28 116.000 117.826 -1.826 1 1 342 . 2 1 1 A 29 29 THR H H 29 9.180 8.886 0.294 1 1 343 . 2 1 1 A 29 29 THR HA H 29 3.570 3.880 -0.310 1 1 348 . 2 1 1 A 29 29 THR C C 29 176.080 176.876 -0.796 1 1 349 . 2 1 1 A 29 29 THR CA C 29 66.100 66.622 -0.522 1 1 350 . 2 1 1 A 29 29 THR CB C 29 67.650 68.313 -0.663 1 1 352 . 2 1 1 A 29 29 THR N N 29 111.440 115.041 -3.601 1 1 353 . 2 1 1 A 30 30 LYS H H 30 7.340 8.182 -0.842 1 1 354 . 2 1 1 A 30 30 LYS HA H 30 3.960 3.954 0.006 1 1 363 . 2 1 1 A 30 30 LYS C C 30 176.660 179.070 -2.410 1 1 364 . 2 1 1 A 30 30 LYS CA C 30 59.100 59.723 -0.623 1 1 365 . 2 1 1 A 30 30 LYS CB C 30 32.700 32.172 0.528 1 1 369 . 2 1 1 A 30 30 LYS N N 30 120.350 121.740 -1.390 1 1 370 . 2 1 1 A 31 31 GLU H H 31 7.760 8.324 -0.564 1 1 371 . 2 1 1 A 31 31 GLU HA H 31 4.000 4.117 -0.117 1 1 376 . 2 1 1 A 31 31 GLU C C 31 177.230 179.040 -1.810 1 1 377 . 2 1 1 A 31 31 GLU CA C 31 59.600 58.907 0.693 1 1 378 . 2 1 1 A 31 31 GLU CB C 31 29.600 28.235 1.365 1 1 380 . 2 1 1 A 31 31 GLU N N 31 122.300 117.659 4.641 1 1 381 . 2 1 1 A 32 32 LEU H H 32 8.370 8.101 0.269 1 1 382 . 2 1 1 A 32 32 LEU HA H 32 4.060 3.876 0.184 1 1 392 . 2 1 1 A 32 32 LEU C C 32 179.400 178.628 0.772 1 1 393 . 2 1 1 A 32 32 LEU CA C 32 57.550 57.903 -0.353 1 1 394 . 2 1 1 A 32 32 LEU CB C 32 41.700 41.973 -0.273 1 1 398 . 2 1 1 A 32 32 LEU N N 32 120.100 123.181 -3.081 1 1 399 . 2 1 1 A 33 33 GLY H H 33 8.650 8.015 0.635 1 1 400 . 2 1 1 A 33 33 GLY HA2 H 33 3.450 3.852 -0.402 1 1 401 . 2 1 1 A 33 33 GLY HA3 H 33 3.800 3.853 -0.053 1 1 402 . 2 1 1 A 33 33 GLY C C 33 179.640 176.254 3.386 1 1 403 . 2 1 1 A 33 33 GLY CA C 33 48.300 47.610 0.690 1 1 404 . 2 1 1 A 33 33 GLY N N 33 105.700 106.143 -0.443 1 1 405 . 2 1 1 A 34 34 THR H H 34 8.070 7.900 0.170 1 1 406 . 2 1 1 A 34 34 THR HA H 34 3.790 4.014 -0.224 1 1 411 . 2 1 1 A 34 34 THR C C 34 178.670 175.925 2.745 1 1 412 . 2 1 1 A 34 34 THR CA C 34 67.300 67.110 0.190 1 1 413 . 2 1 1 A 34 34 THR CB C 34 68.700 68.630 0.070 1 1 415 . 2 1 1 A 34 34 THR N N 34 118.140 118.887 -0.747 1 1 416 . 2 1 1 A 35 35 VAL H H 35 7.510 7.722 -0.212 1 1 417 . 2 1 1 A 35 35 VAL HA H 35 3.480 3.610 -0.130 1 1 425 . 2 1 1 A 35 35 VAL C C 35 175.050 177.667 -2.617 1 1 426 . 2 1 1 A 35 35 VAL CA C 35 66.500 66.887 -0.387 1 1 427 . 2 1 1 A 35 35 VAL CB C 35 31.400 31.374 0.026 1 1 430 . 2 1 1 A 35 35 VAL N N 35 121.400 121.769 -0.369 1 1 431 . 2 1 1 A 36 36 MET H H 36 8.530 7.978 0.552 1 1 432 . 2 1 1 A 36 36 MET HA H 36 3.590 4.104 -0.514 1 1 440 . 2 1 1 A 36 36 MET C C 36 177.410 178.004 -0.594 1 1 441 . 2 1 1 A 36 36 MET CA C 36 61.900 58.543 3.357 1 1 442 . 2 1 1 A 36 36 MET CB C 36 32.600 31.264 1.336 1 1 445 . 2 1 1 A 36 36 MET N N 36 118.970 118.453 0.517 1 1 446 . 2 1 1 A 37 37 ARG H H 37 8.600 8.293 0.307 1 1 447 . 2 1 1 A 37 37 ARG HA H 37 4.720 4.167 0.553 1 1 454 . 2 1 1 A 37 37 ARG C C 37 179.250 178.845 0.405 1 1 455 . 2 1 1 A 37 37 ARG CA C 37 59.450 59.456 -0.006 1 1 456 . 2 1 1 A 37 37 ARG CB C 37 30.200 30.054 0.146 1 1 459 . 2 1 1 A 37 37 ARG N N 37 118.400 120.298 -1.898 1 1 460 . 2 1 1 A 38 38 SER H H 38 7.830 8.230 -0.400 1 1 461 . 2 1 1 A 38 38 SER HA H 38 4.240 4.345 -0.105 1 1 464 . 2 1 1 A 38 38 SER C C 38 178.480 175.758 2.722 1 1 465 . 2 1 1 A 38 38 SER CA C 38 62.100 61.342 0.758 1 1 466 . 2 1 1 A 38 38 SER CB C 38 63.400 63.011 0.389 1 1 467 . 2 1 1 A 38 38 SER N N 38 119.400 115.310 4.090 1 1 468 . 2 1 1 A 39 39 LEU H H 39 7.280 8.296 -1.016 1 1 469 . 2 1 1 A 39 39 LEU HA H 39 4.360 4.296 0.064 1 1 479 . 2 1 1 A 39 39 LEU C C 39 178.240 177.052 1.188 1 1 480 . 2 1 1 A 39 39 LEU CA C 39 54.300 55.029 -0.729 1 1 481 . 2 1 1 A 39 39 LEU CB C 39 42.100 42.339 -0.239 1 1 485 . 2 1 1 A 39 39 LEU N N 39 119.950 119.773 0.177 1 1 486 . 2 1 1 A 40 40 GLY H H 40 7.740 8.788 -1.048 1 1 487 . 2 1 1 A 40 40 GLY HA2 H 40 4.140 3.899 0.241 1 1 488 . 2 1 1 A 40 40 GLY HA3 H 40 3.650 3.913 -0.263 1 1 489 . 2 1 1 A 40 40 GLY C C 40 176.140 173.603 2.537 1 1 490 . 2 1 1 A 40 40 GLY CA C 40 45.300 45.960 -0.660 1 1 491 . 2 1 1 A 40 40 GLY N N 40 105.750 107.040 -1.290 1 1 492 . 2 1 1 A 41 41 GLN H H 41 7.710 7.628 0.082 1 1 493 . 2 1 1 A 41 41 GLN HA H 41 4.360 4.912 -0.552 1 1 500 . 2 1 1 A 41 41 GLN C C 41 176.700 174.105 2.595 1 1 501 . 2 1 1 A 41 41 GLN CA C 41 54.900 54.167 0.733 1 1 502 . 2 1 1 A 41 41 GLN CB C 41 29.600 32.211 -2.611 1 1 504 . 2 1 1 A 41 41 GLN N N 41 118.400 119.313 -0.913 1 1 506 . 2 1 1 A 42 42 ASN H H 42 8.640 8.747 -0.107 1 1 507 . 2 1 1 A 42 42 ASN HA H 42 5.150 5.322 -0.172 1 1 512 . 2 1 1 A 42 42 ASN CA C 42 51.200 51.103 0.097 1 1 513 . 2 1 1 A 42 42 ASN CB C 42 39.500 39.231 0.269 1 1 514 . 2 1 1 A 42 42 ASN N N 42 115.610 120.468 -4.858 1 1 516 . 2 1 1 A 43 43 PRO HA H 43 4.540 4.517 0.023 1 1 523 . 2 1 1 A 43 43 PRO C C 43 179.440 176.852 2.588 1 1 524 . 2 1 1 A 43 43 PRO CA C 43 62.450 62.981 -0.531 1 1 525 . 2 1 1 A 43 43 PRO CB C 43 31.500 31.853 -0.353 1 1 528 . 2 1 1 A 44 44 THR H H 44 8.660 8.040 0.620 1 1 529 . 2 1 1 A 44 44 THR HA H 44 4.340 4.490 -0.150 1 1 534 . 2 1 1 A 44 44 THR CA C 44 60.450 60.440 0.010 1 1 535 . 2 1 1 A 44 44 THR CB C 44 71.400 70.961 0.439 1 1 537 . 2 1 1 A 44 44 THR N N 44 112.600 112.933 -0.333 1 1 538 . 2 1 1 A 45 45 GLU H H 45 8.720 9.077 -0.357 1 1 539 . 2 1 1 A 45 45 GLU HA H 45 3.870 3.905 -0.035 1 1 544 . 2 1 1 A 45 45 GLU C C 45 174.270 178.172 -3.902 1 1 545 . 2 1 1 A 45 45 GLU CA C 45 59.900 59.833 0.067 1 1 546 . 2 1 1 A 45 45 GLU CB C 45 29.200 29.279 -0.079 1 1 548 . 2 1 1 A 45 45 GLU N N 45 120.150 122.562 -2.412 1 1 549 . 2 1 1 A 46 46 ALA H H 46 8.200 8.340 -0.140 1 1 550 . 2 1 1 A 46 46 ALA HA H 46 3.980 4.030 -0.050 1 1 554 . 2 1 1 A 46 46 ALA C C 46 175.180 179.880 -4.700 1 1 555 . 2 1 1 A 46 46 ALA CA C 46 55.100 54.890 0.210 1 1 556 . 2 1 1 A 46 46 ALA CB C 46 18.300 18.254 0.046 1 1 557 . 2 1 1 A 46 46 ALA N N 46 120.450 121.477 -1.027 1 1 558 . 2 1 1 A 47 47 GLU H H 47 7.630 7.775 -0.145 1 1 559 . 2 1 1 A 47 47 GLU HA H 47 3.890 4.123 -0.233 1 1 564 . 2 1 1 A 47 47 GLU C C 47 179.020 179.026 -0.006 1 1 565 . 2 1 1 A 47 47 GLU CA C 47 59.500 58.828 0.672 1 1 566 . 2 1 1 A 47 47 GLU CB C 47 29.600 29.323 0.277 1 1 568 . 2 1 1 A 47 47 GLU N N 47 118.320 118.489 -0.169 1 1 569 . 2 1 1 A 48 48 LEU H H 48 7.880 8.201 -0.321 1 1 570 . 2 1 1 A 48 48 LEU HA H 48 3.790 3.968 -0.178 1 1 580 . 2 1 1 A 48 48 LEU C C 48 180.200 179.868 0.332 1 1 581 . 2 1 1 A 48 48 LEU CA C 48 58.150 57.925 0.225 1 1 582 . 2 1 1 A 48 48 LEU CB C 48 42.800 41.630 1.170 1 1 586 . 2 1 1 A 48 48 LEU N N 48 119.000 120.139 -1.139 1 1 587 . 2 1 1 A 49 49 GLN H H 49 8.080 7.747 0.333 1 1 588 . 2 1 1 A 49 49 GLN HA H 49 3.630 3.990 -0.360 1 1 595 . 2 1 1 A 49 49 GLN C C 49 177.680 177.629 0.051 1 1 596 . 2 1 1 A 49 49 GLN CA C 49 58.600 58.970 -0.370 1 1 597 . 2 1 1 A 49 49 GLN CB C 49 28.500 28.526 -0.026 1 1 599 . 2 1 1 A 49 49 GLN N N 49 117.400 118.762 -1.362 1 1 601 . 2 1 1 A 50 50 ASP H H 50 7.960 8.260 -0.300 1 1 602 . 2 1 1 A 50 50 ASP HA H 50 4.300 4.310 -0.010 1 1 605 . 2 1 1 A 50 50 ASP C C 50 178.470 178.546 -0.076 1 1 606 . 2 1 1 A 50 50 ASP CA C 50 57.700 57.804 -0.104 1 1 607 . 2 1 1 A 50 50 ASP CB C 50 40.600 41.792 -1.192 1 1 608 . 2 1 1 A 50 50 ASP N N 50 119.050 119.715 -0.665 1 1 609 . 2 1 1 A 51 51 MET H H 51 7.750 8.259 -0.509 1 1 610 . 2 1 1 A 51 51 MET HA H 51 4.000 4.166 -0.166 1 1 618 . 2 1 1 A 51 51 MET C C 51 178.170 178.815 -0.645 1 1 619 . 2 1 1 A 51 51 MET CA C 51 59.500 58.751 0.749 1 1 620 . 2 1 1 A 51 51 MET CB C 51 34.700 32.866 1.834 1 1 623 . 2 1 1 A 51 51 MET N N 51 117.900 117.904 -0.004 1 1 624 . 2 1 1 A 52 52 ILE H H 52 7.580 7.894 -0.314 1 1 625 . 2 1 1 A 52 52 ILE HA H 52 3.620 3.578 0.042 1 1 635 . 2 1 1 A 52 52 ILE C C 52 178.690 177.898 0.792 1 1 636 . 2 1 1 A 52 52 ILE CA C 52 63.600 65.430 -1.830 1 1 637 . 2 1 1 A 52 52 ILE CB C 52 36.700 37.716 -1.016 1 1 641 . 2 1 1 A 52 52 ILE N N 52 116.850 119.130 -2.280 1 1 642 . 2 1 1 A 53 53 ASN H H 53 8.570 8.469 0.101 1 1 643 . 2 1 1 A 53 53 ASN HA H 53 4.310 4.410 -0.100 1 1 648 . 2 1 1 A 53 53 ASN CA C 53 56.400 56.481 -0.081 1 1 649 . 2 1 1 A 53 53 ASN CB C 53 38.300 38.013 0.287 1 1 650 . 2 1 1 A 53 53 ASN N N 53 116.900 118.542 -1.642 1 1 652 . 2 1 1 A 54 54 GLU H H 54 7.520 7.869 -0.349 1 1 653 . 2 1 1 A 54 54 GLU HA H 54 3.950 4.118 -0.168 1 1 658 . 2 1 1 A 54 54 GLU C C 54 178.070 178.552 -0.482 1 1 659 . 2 1 1 A 54 54 GLU CA C 54 59.000 58.920 0.080 1 1 660 . 2 1 1 A 54 54 GLU CB C 54 29.800 29.499 0.301 1 1 662 . 2 1 1 A 54 54 GLU N N 54 115.650 119.414 -3.764 1 1 663 . 2 1 1 A 55 55 VAL H H 55 7.020 7.173 -0.153 1 1 664 . 2 1 1 A 55 55 VAL HA H 55 4.110 4.003 0.107 1 1 672 . 2 1 1 A 55 55 VAL C C 55 177.890 176.408 1.482 1 1 673 . 2 1 1 A 55 55 VAL CA C 55 61.210 64.690 -3.480 1 1 674 . 2 1 1 A 55 55 VAL CB C 55 33.100 32.053 1.047 1 1 677 . 2 1 1 A 55 55 VAL N N 55 111.500 119.354 -7.854 1 1 678 . 2 1 1 A 56 56 ASP H H 56 7.460 7.959 -0.499 1 1 679 . 2 1 1 A 56 56 ASP HA H 56 4.360 4.676 -0.316 1 1 682 . 2 1 1 A 56 56 ASP C C 56 177.620 176.737 0.883 1 1 683 . 2 1 1 A 56 56 ASP CA C 56 53.550 53.399 0.151 1 1 684 . 2 1 1 A 56 56 ASP CB C 56 40.600 40.092 0.508 1 1 685 . 2 1 1 A 56 56 ASP N N 56 121.330 121.700 -0.370 1 1 686 . 2 1 1 A 57 57 ALA H H 57 7.780 8.193 -0.413 1 1 687 . 2 1 1 A 57 57 ALA HA H 57 4.080 4.037 0.043 1 1 691 . 2 1 1 A 57 57 ALA C C 57 175.320 178.247 -2.927 1 1 692 . 2 1 1 A 57 57 ALA CA C 57 55.000 55.179 -0.179 1 1 693 . 2 1 1 A 57 57 ALA CB C 57 19.800 18.490 1.310 1 1 694 . 2 1 1 A 57 57 ALA N N 57 130.400 128.233 2.167 1 1 695 . 2 1 1 A 58 58 ASP H H 58 8.140 8.253 -0.113 1 1 696 . 2 1 1 A 58 58 ASP HA H 58 4.540 4.570 -0.030 1 1 699 . 2 1 1 A 58 58 ASP C C 58 176.130 177.507 -1.377 1 1 700 . 2 1 1 A 58 58 ASP CA C 58 52.950 53.223 -0.273 1 1 701 . 2 1 1 A 58 58 ASP CB C 58 40.100 39.993 0.107 1 1 702 . 2 1 1 A 58 58 ASP N N 58 113.200 113.167 0.033 1 1 703 . 2 1 1 A 59 59 GLY H H 59 7.530 7.728 -0.198 1 1 704 . 2 1 1 A 59 59 GLY HA2 H 59 3.700 3.916 -0.216 1 1 705 . 2 1 1 A 59 59 GLY HA3 H 59 3.820 3.918 -0.098 1 1 706 . 2 1 1 A 59 59 GLY C C 59 178.830 175.274 3.556 1 1 707 . 2 1 1 A 59 59 GLY CA C 59 47.450 46.970 0.480 1 1 708 . 2 1 1 A 59 59 GLY N N 59 108.180 109.277 -1.097 1 1 709 . 2 1 1 A 60 60 ASN H H 60 8.080 8.701 -0.621 1 1 710 . 2 1 1 A 60 60 ASN HA H 60 4.500 4.678 -0.178 1 1 715 . 2 1 1 A 60 60 ASN CA C 60 52.900 52.609 0.291 1 1 716 . 2 1 1 A 60 60 ASN CB C 60 37.900 37.846 0.054 1 1 717 . 2 1 1 A 60 60 ASN N N 60 118.700 118.596 0.104 1 1 719 . 2 1 1 A 61 61 GLY H H 61 10.640 10.206 0.434 1 1 720 . 2 1 1 A 61 61 GLY HA2 H 61 3.370 3.878 -0.508 1 1 721 . 2 1 1 A 61 61 GLY HA3 H 61 4.190 3.882 0.308 1 1 722 . 2 1 1 A 61 61 GLY C C 61 174.970 173.436 1.534 1 1 723 . 2 1 1 A 61 61 GLY CA C 61 45.300 45.407 -0.107 1 1 724 . 2 1 1 A 61 61 GLY N N 61 113.400 111.809 1.591 1 1 725 . 2 1 1 A 62 62 THR H H 62 7.550 7.811 -0.261 1 1 726 . 2 1 1 A 62 62 THR HA H 62 4.620 4.938 -0.318 1 1 731 . 2 1 1 A 62 62 THR C C 62 176.870 172.700 4.170 1 1 732 . 2 1 1 A 62 62 THR CA C 62 59.550 59.663 -0.113 1 1 733 . 2 1 1 A 62 62 THR CB C 62 72.500 72.624 -0.124 1 1 735 . 2 1 1 A 62 62 THR N N 62 107.860 109.842 -1.982 1 1 736 . 2 1 1 A 63 63 ILE H H 63 8.790 8.504 0.286 1 1 737 . 2 1 1 A 63 63 ILE HA H 63 5.280 4.950 0.330 1 1 747 . 2 1 1 A 63 63 ILE C C 63 173.250 175.253 -2.003 1 1 748 . 2 1 1 A 63 63 ILE CA C 63 57.600 59.843 -2.243 1 1 749 . 2 1 1 A 63 63 ILE CB C 63 39.400 39.258 0.142 1 1 753 . 2 1 1 A 63 63 ILE N N 63 123.900 121.546 2.354 1 1 754 . 2 1 1 A 64 64 ASP H H 64 8.720 8.917 -0.197 1 1 755 . 2 1 1 A 64 64 ASP HA H 64 5.350 5.041 0.309 1 1 758 . 2 1 1 A 64 64 ASP C C 64 172.850 177.904 -5.054 1 1 759 . 2 1 1 A 64 64 ASP CA C 64 52.100 52.843 -0.743 1 1 760 . 2 1 1 A 64 64 ASP CB C 64 42.150 42.947 -0.797 1 1 761 . 2 1 1 A 64 64 ASP N N 64 127.860 127.295 0.565 1 1 762 . 2 1 1 A 65 65 PHE H H 65 8.840 9.208 -0.368 1 1 763 . 2 1 1 A 65 65 PHE HA H 65 3.890 4.833 -0.943 1 1 771 . 2 1 1 A 65 65 PHE C C 65 175.750 174.688 1.062 1 1 772 . 2 1 1 A 65 65 PHE CA C 65 63.300 63.742 -0.442 1 1 773 . 2 1 1 A 65 65 PHE CB C 65 36.100 37.413 -1.313 1 1 779 . 2 1 1 A 65 65 PHE N N 65 117.500 123.158 -5.658 1 1 780 . 2 1 1 A 66 66 PRO HA H 66 3.770 4.327 -0.557 1 1 787 . 2 1 1 A 66 66 PRO C C 66 175.840 179.456 -3.616 1 1 788 . 2 1 1 A 66 66 PRO CA C 66 67.100 66.457 0.643 1 1 789 . 2 1 1 A 66 66 PRO CB C 66 30.700 30.895 -0.195 1 1 792 . 2 1 1 A 67 67 GLU H H 67 8.340 8.768 -0.428 1 1 793 . 2 1 1 A 67 67 GLU HA H 67 3.920 4.118 -0.198 1 1 798 . 2 1 1 A 67 67 GLU CA C 67 59.400 59.164 0.236 1 1 799 . 2 1 1 A 67 67 GLU CB C 67 29.650 29.136 0.514 1 1 801 . 2 1 1 A 67 67 GLU N N 67 117.850 117.976 -0.126 1 1 802 . 2 1 1 A 68 68 PHE H H 68 8.630 8.248 0.382 1 1 803 . 2 1 1 A 68 68 PHE HA H 68 3.670 4.132 -0.462 1 1 811 . 2 1 1 A 68 68 PHE C C 68 174.810 177.420 -2.610 1 1 812 . 2 1 1 A 68 68 PHE CA C 68 61.400 61.222 0.178 1 1 813 . 2 1 1 A 68 68 PHE CB C 68 40.700 39.271 1.429 1 1 819 . 2 1 1 A 68 68 PHE N N 68 123.200 123.338 -0.138 1 1 820 . 2 1 1 A 69 69 LEU H H 69 8.800 8.687 0.113 1 1 821 . 2 1 1 A 69 69 LEU HA H 69 3.130 3.828 -0.698 1 1 831 . 2 1 1 A 69 69 LEU C C 69 179.310 178.698 0.612 1 1 832 . 2 1 1 A 69 69 LEU CA C 69 58.000 58.226 -0.226 1 1 833 . 2 1 1 A 69 69 LEU CB C 69 41.550 41.801 -0.251 1 1 837 . 2 1 1 A 69 69 LEU N N 69 119.930 120.108 -0.178 1 1 838 . 2 1 1 A 70 70 THR H H 70 7.550 7.953 -0.403 1 1 839 . 2 1 1 A 70 70 THR HA H 70 3.530 3.851 -0.321 1 1 844 . 2 1 1 A 70 70 THR C C 70 180.360 176.961 3.399 1 1 845 . 2 1 1 A 70 70 THR CA C 70 66.700 65.956 0.744 1 1 846 . 2 1 1 A 70 70 THR CB C 70 68.500 68.823 -0.323 1 1 848 . 2 1 1 A 70 70 THR N N 70 114.730 112.774 1.956 1 1 849 . 2 1 1 A 71 71 MET H H 71 7.000 7.685 -0.685 1 1 850 . 2 1 1 A 71 71 MET HA H 71 3.640 4.071 -0.431 1 1 858 . 2 1 1 A 71 71 MET C C 71 176.750 178.244 -1.494 1 1 859 . 2 1 1 A 71 71 MET CA C 71 58.800 58.068 0.732 1 1 860 . 2 1 1 A 71 71 MET CB C 71 32.000 32.222 -0.222 1 1 863 . 2 1 1 A 71 71 MET N N 71 119.750 118.721 1.029 1 1 864 . 2 1 1 A 72 72 MET H H 72 7.810 8.073 -0.263 1 1 865 . 2 1 1 A 72 72 MET HA H 72 3.880 4.120 -0.240 1 1 873 . 2 1 1 A 72 72 MET C C 72 174.850 178.234 -3.384 1 1 874 . 2 1 1 A 72 72 MET CA C 72 55.100 59.009 -3.909 1 1 875 . 2 1 1 A 72 72 MET CB C 72 28.900 33.002 -4.102 1 1 878 . 2 1 1 A 72 72 MET N N 72 115.300 118.529 -3.229 1 1 879 . 2 1 1 A 73 73 ALA H H 73 7.880 8.077 -0.197 1 1 880 . 2 1 1 A 73 73 ALA HA H 73 3.990 3.962 0.028 1 1 884 . 2 1 1 A 73 73 ALA C C 73 177.940 180.029 -2.089 1 1 885 . 2 1 1 A 73 73 ALA CA C 73 53.900 55.294 -1.394 1 1 886 . 2 1 1 A 73 73 ALA CB C 73 18.600 18.161 0.439 1 1 887 . 2 1 1 A 73 73 ALA N N 73 120.000 120.946 -0.946 1 1 888 . 2 1 1 A 74 74 ARG H H 74 7.050 7.387 -0.337 1 1 889 . 2 1 1 A 74 74 ARG HA H 74 4.040 4.117 -0.077 1 1 896 . 2 1 1 A 74 74 ARG C C 74 178.910 177.074 1.836 1 1 897 . 2 1 1 A 74 74 ARG CA C 74 57.400 58.299 -0.899 1 1 898 . 2 1 1 A 74 74 ARG CB C 74 30.900 30.329 0.571 1 1 901 . 2 1 1 A 74 74 ARG N N 74 115.850 118.245 -2.395 1 1 902 . 2 1 1 A 75 75 LYS H H 75 7.820 7.737 0.083 1 1 903 . 2 1 1 A 75 75 LYS HA H 75 4.200 4.316 -0.116 1 1 912 . 2 1 1 A 75 75 LYS C C 75 178.770 176.547 2.223 1 1 913 . 2 1 1 A 75 75 LYS CA C 75 55.900 55.046 0.854 1 1 914 . 2 1 1 A 75 75 LYS CB C 75 32.600 30.805 1.795 1 1 918 . 2 1 1 A 75 75 LYS N N 75 119.600 118.725 0.875 1 1 919 . 2 1 1 A 76 76 MET H H 76 8.100 8.381 -0.281 1 1 920 . 2 1 1 A 76 76 MET HA H 76 4.300 4.829 -0.529 1 1 928 . 2 1 1 A 76 76 MET C C 76 176.990 175.881 1.109 1 1 929 . 2 1 1 A 76 76 MET CA C 76 55.800 53.852 1.948 1 1 930 . 2 1 1 A 76 76 MET CB C 76 33.800 32.684 1.116 1 1 933 . 2 1 1 A 76 76 MET N N 76 122.300 124.383 -2.083 1 1 934 . 2 1 1 A 77 77 LYS H H 77 8.150 7.600 0.550 1 1 935 . 2 1 1 A 77 77 LYS HA H 77 4.210 4.098 0.112 1 1 944 . 2 1 1 A 77 77 LYS C C 77 176.890 175.969 0.921 1 1 945 . 2 1 1 A 77 77 LYS CA C 77 56.100 56.867 -0.767 1 1 946 . 2 1 1 A 77 77 LYS CB C 77 33.000 32.809 0.191 1 1 950 . 2 1 1 A 77 77 LYS N N 77 121.300 122.357 -1.057 1 1 951 . 2 1 1 A 78 78 ASP H H 78 8.240 8.616 -0.376 1 1 952 . 2 1 1 A 78 78 ASP HA H 78 4.500 4.904 -0.404 1 1 955 . 2 1 1 A 78 78 ASP C C 78 176.090 175.109 0.981 1 1 956 . 2 1 1 A 78 78 ASP CA C 78 54.700 53.800 0.900 1 1 957 . 2 1 1 A 78 78 ASP CB C 78 41.300 41.483 -0.183 1 1 958 . 2 1 1 A 78 78 ASP N N 78 122.200 125.183 -2.983 1 1 959 . 2 1 1 A 79 79 THR H H 79 8.150 8.748 -0.598 1 1 960 . 2 1 1 A 79 79 THR HA H 79 4.220 4.674 -0.454 1 1 965 . 2 1 1 A 79 79 THR C C 79 176.240 174.031 2.209 1 1 966 . 2 1 1 A 79 79 THR CA C 79 61.500 62.477 -0.977 1 1 967 . 2 1 1 A 79 79 THR CB C 79 70.300 69.659 0.641 1 1 969 . 2 1 1 A 79 79 THR N N 79 114.940 120.735 -5.795 1 1 970 . 2 1 1 A 80 80 ASP H H 80 8.480 8.915 -0.435 1 1 971 . 2 1 1 A 80 80 ASP HA H 80 4.600 4.639 -0.039 1 1 974 . 2 1 1 A 80 80 ASP C C 80 176.230 176.768 -0.538 1 1 975 . 2 1 1 A 80 80 ASP CA C 80 54.100 54.655 -0.555 1 1 976 . 2 1 1 A 80 80 ASP CB C 80 41.600 40.662 0.938 1 1 977 . 2 1 1 A 80 80 ASP N N 80 123.800 127.857 -4.057 1 1 978 . 2 1 1 A 81 81 SER H H 81 8.500 8.948 -0.448 1 1 979 . 2 1 1 A 81 81 SER HA H 81 4.220 4.107 0.113 1 1 982 . 2 1 1 A 81 81 SER C C 81 173.900 176.713 -2.813 1 1 983 . 2 1 1 A 81 81 SER CA C 81 60.400 61.831 -1.431 1 1 984 . 2 1 1 A 81 81 SER CB C 81 63.700 62.707 0.993 1 1 985 . 2 1 1 A 81 81 SER N N 81 118.450 120.582 -2.132 1 1 986 . 2 1 1 A 82 82 GLU H H 82 8.430 8.046 0.384 1 1 987 . 2 1 1 A 82 82 GLU HA H 82 4.010 4.188 -0.178 1 1 992 . 2 1 1 A 82 82 GLU C C 82 176.370 179.435 -3.065 1 1 993 . 2 1 1 A 82 82 GLU CA C 82 59.100 59.298 -0.198 1 1 994 . 2 1 1 A 82 82 GLU CB C 82 29.600 29.159 0.441 1 1 996 . 2 1 1 A 82 82 GLU N N 82 121.850 121.038 0.812 1 1 997 . 2 1 1 A 83 83 GLU H H 83 8.020 8.839 -0.819 1 1 998 . 2 1 1 A 83 83 GLU HA H 83 4.040 4.028 0.012 1 1 1003 . 2 1 1 A 83 83 GLU C C 83 175.890 178.790 -2.900 1 1 1004 . 2 1 1 A 83 83 GLU CA C 83 58.800 59.512 -0.712 1 1 1005 . 2 1 1 A 83 83 GLU CB C 83 29.400 29.277 0.123 1 1 1007 . 2 1 1 A 83 83 GLU N N 83 119.470 119.378 0.092 1 1 1008 . 2 1 1 A 84 84 GLU H H 84 7.930 7.845 0.085 1 1 1009 . 2 1 1 A 84 84 GLU HA H 84 4.150 4.180 -0.030 1 1 1014 . 2 1 1 A 84 84 GLU C C 84 176.160 179.449 -3.289 1 1 1015 . 2 1 1 A 84 84 GLU CA C 84 59.400 58.804 0.596 1 1 1016 . 2 1 1 A 84 84 GLU CB C 84 29.600 29.507 0.093 1 1 1018 . 2 1 1 A 84 84 GLU N N 84 118.310 119.196 -0.886 1 1 1019 . 2 1 1 A 85 85 ILE H H 85 7.880 8.069 -0.189 1 1 1020 . 2 1 1 A 85 85 ILE HA H 85 3.880 3.706 0.174 1 1 1030 . 2 1 1 A 85 85 ILE C C 85 179.870 177.594 2.276 1 1 1031 . 2 1 1 A 85 85 ILE CA C 85 65.400 64.969 0.431 1 1 1032 . 2 1 1 A 85 85 ILE CB C 85 37.400 37.671 -0.271 1 1 1036 . 2 1 1 A 85 85 ILE N N 85 120.900 120.757 0.143 1 1 1037 . 2 1 1 A 86 86 ARG H H 86 7.990 8.259 -0.269 1 1 1038 . 2 1 1 A 86 86 ARG HA H 86 4.030 4.031 -0.001 1 1 1045 . 2 1 1 A 86 86 ARG C C 86 180.520 179.243 1.277 1 1 1046 . 2 1 1 A 86 86 ARG CA C 86 60.200 60.016 0.184 1 1 1047 . 2 1 1 A 86 86 ARG CB C 86 29.800 29.858 -0.058 1 1 1050 . 2 1 1 A 86 86 ARG N N 86 121.000 119.618 1.382 1 1 1051 . 2 1 1 A 87 87 GLU H H 87 8.350 8.514 -0.164 1 1 1052 . 2 1 1 A 87 87 GLU HA H 87 3.900 4.084 -0.184 1 1 1057 . 2 1 1 A 87 87 GLU C C 87 177.380 179.609 -2.229 1 1 1058 . 2 1 1 A 87 87 GLU CA C 87 59.600 59.431 0.169 1 1 1059 . 2 1 1 A 87 87 GLU CB C 87 29.500 29.828 -0.328 1 1 1061 . 2 1 1 A 87 87 GLU N N 87 117.860 119.689 -1.829 1 1 1062 . 2 1 1 A 88 88 ALA H H 88 7.880 7.848 0.032 1 1 1063 . 2 1 1 A 88 88 ALA HA H 88 4.060 4.243 -0.183 1 1 1067 . 2 1 1 A 88 88 ALA C C 88 178.580 179.697 -1.117 1 1 1068 . 2 1 1 A 88 88 ALA CA C 88 55.200 54.724 0.476 1 1 1069 . 2 1 1 A 88 88 ALA CB C 88 17.900 18.384 -0.484 1 1 1070 . 2 1 1 A 88 88 ALA N N 88 120.100 122.374 -2.274 1 1 1071 . 2 1 1 A 89 89 PHE H H 89 8.550 7.822 0.728 1 1 1072 . 2 1 1 A 89 89 PHE HA H 89 4.000 3.759 0.241 1 1 1080 . 2 1 1 A 89 89 PHE C C 89 179.770 177.653 2.117 1 1 1081 . 2 1 1 A 89 89 PHE CA C 89 61.800 61.309 0.491 1 1 1082 . 2 1 1 A 89 89 PHE CB C 89 39.130 39.050 0.080 1 1 1088 . 2 1 1 A 89 89 PHE N N 89 118.760 119.621 -0.861 1 1 1089 . 2 1 1 A 90 90 ARG H H 90 7.750 7.794 -0.044 1 1 1090 . 2 1 1 A 90 90 ARG HA H 90 3.760 3.930 -0.170 1 1 1097 . 2 1 1 A 90 90 ARG C C 90 179.090 179.037 0.053 1 1 1098 . 2 1 1 A 90 90 ARG CA C 90 58.800 59.466 -0.666 1 1 1099 . 2 1 1 A 90 90 ARG CB C 90 30.500 29.932 0.568 1 1 1102 . 2 1 1 A 90 90 ARG N N 90 115.100 117.827 -2.727 1 1 1103 . 2 1 1 A 91 91 VAL H H 91 7.270 7.525 -0.255 1 1 1104 . 2 1 1 A 91 91 VAL HA H 91 3.360 3.565 -0.205 1 1 1112 . 2 1 1 A 91 91 VAL C C 91 179.060 178.032 1.028 1 1 1113 . 2 1 1 A 91 91 VAL CA C 91 66.050 66.382 -0.332 1 1 1114 . 2 1 1 A 91 91 VAL CB C 91 31.200 31.713 -0.513 1 1 1117 . 2 1 1 A 91 91 VAL N N 91 117.450 120.628 -3.178 1 1 1118 . 2 1 1 A 92 92 PHE H H 92 7.000 7.774 -0.774 1 1 1119 . 2 1 1 A 92 92 PHE HA H 92 4.070 4.133 -0.063 1 1 1127 . 2 1 1 A 92 92 PHE C C 92 177.490 176.328 1.162 1 1 1128 . 2 1 1 A 92 92 PHE CA C 92 60.700 59.951 0.749 1 1 1129 . 2 1 1 A 92 92 PHE CB C 92 38.000 39.363 -1.363 1 1 1135 . 2 1 1 A 92 92 PHE N N 92 114.400 118.390 -3.990 1 1 1136 . 2 1 1 A 93 93 ASP H H 93 7.870 8.126 -0.256 1 1 1137 . 2 1 1 A 93 93 ASP HA H 93 4.450 4.440 0.010 1 1 1140 . 2 1 1 A 93 93 ASP C C 93 176.830 176.276 0.554 1 1 1141 . 2 1 1 A 93 93 ASP CA C 93 52.300 52.300 0.000 1 1 1142 . 2 1 1 A 93 93 ASP CB C 93 38.800 39.061 -0.261 1 1 1143 . 2 1 1 A 93 93 ASP N N 93 115.100 117.019 -1.919 1 1 1144 . 2 1 1 A 94 94 LYS H H 94 7.510 7.817 -0.307 1 1 1145 . 2 1 1 A 94 94 LYS HA H 94 3.770 3.786 -0.016 1 1 1154 . 2 1 1 A 94 94 LYS C C 94 176.650 177.717 -1.067 1 1 1155 . 2 1 1 A 94 94 LYS CA C 94 59.400 59.974 -0.574 1 1 1156 . 2 1 1 A 94 94 LYS CB C 94 32.800 32.092 0.708 1 1 1160 . 2 1 1 A 94 94 LYS N N 94 124.250 126.579 -2.329 1 1 1161 . 2 1 1 A 95 95 ASP H H 95 8.190 7.656 0.534 1 1 1162 . 2 1 1 A 95 95 ASP HA H 95 4.430 4.600 -0.170 1 1 1165 . 2 1 1 A 95 95 ASP C C 95 177.580 177.606 -0.026 1 1 1166 . 2 1 1 A 95 95 ASP CA C 95 53.600 53.189 0.411 1 1 1167 . 2 1 1 A 95 95 ASP CB C 95 39.900 39.940 -0.040 1 1 1168 . 2 1 1 A 95 95 ASP N N 95 113.600 114.933 -1.333 1 1 1169 . 2 1 1 A 96 96 GLY H H 96 7.770 7.690 0.080 1 1 1170 . 2 1 1 A 96 96 GLY HA2 H 96 3.750 3.919 -0.169 1 1 1171 . 2 1 1 A 96 96 GLY HA3 H 96 3.750 3.920 -0.170 1 1 1172 . 2 1 1 A 96 96 GLY C C 96 178.400 175.484 2.916 1 1 1173 . 2 1 1 A 96 96 GLY CA C 96 47.100 47.030 0.070 1 1 1174 . 2 1 1 A 96 96 GLY N N 96 108.900 109.106 -0.206 1 1 1175 . 2 1 1 A 97 97 ASN H H 97 8.270 8.036 0.234 1 1 1176 . 2 1 1 A 97 97 ASN HA H 97 4.520 4.773 -0.253 1 1 1181 . 2 1 1 A 97 97 ASN CA C 97 52.900 52.476 0.424 1 1 1182 . 2 1 1 A 97 97 ASN CB C 97 38.100 38.039 0.061 1 1 1183 . 2 1 1 A 97 97 ASN N N 97 119.460 118.877 0.583 1 1 1185 . 2 1 1 A 98 98 GLY H H 98 10.660 9.511 1.149 1 1 1186 . 2 1 1 A 98 98 GLY HA2 H 98 3.330 3.938 -0.608 1 1 1187 . 2 1 1 A 98 98 GLY HA3 H 98 3.960 3.967 -0.007 1 1 1188 . 2 1 1 A 98 98 GLY C C 98 178.360 172.970 5.390 1 1 1189 . 2 1 1 A 98 98 GLY CA C 98 45.800 45.536 0.264 1 1 1190 . 2 1 1 A 98 98 GLY N N 98 112.700 111.450 1.250 1 1 1191 . 2 1 1 A 99 99 TYR H H 99 7.570 8.867 -1.297 1 1 1192 . 2 1 1 A 99 99 TYR HA H 99 4.850 5.382 -0.532 1 1 1199 . 2 1 1 A 99 99 TYR C C 99 176.090 175.020 1.070 1 1 1200 . 2 1 1 A 99 99 TYR CA C 99 56.250 55.936 0.314 1 1 1201 . 2 1 1 A 99 99 TYR CB C 99 42.700 43.206 -0.506 1 1 1206 . 2 1 1 A 99 99 TYR N N 99 115.850 117.394 -1.544 1 1 1207 . 2 1 1 A 100 100 ILE H H 100 10.120 9.123 0.997 1 1 1208 . 2 1 1 A 100 100 ILE HA H 100 4.600 4.772 -0.172 1 1 1218 . 2 1 1 A 100 100 ILE C C 100 172.730 175.555 -2.825 1 1 1219 . 2 1 1 A 100 100 ILE CA C 100 61.500 60.501 0.999 1 1 1220 . 2 1 1 A 100 100 ILE CB C 100 39.300 38.985 0.315 1 1 1224 . 2 1 1 A 100 100 ILE N N 100 127.260 124.901 2.359 1 1 1225 . 2 1 1 A 101 101 SER H H 101 9.010 9.101 -0.091 1 1 1226 . 2 1 1 A 101 101 SER HA H 101 4.820 4.612 0.208 1 1 1229 . 2 1 1 A 101 101 SER C C 101 174.660 175.763 -1.103 1 1 1230 . 2 1 1 A 101 101 SER CA C 101 55.900 58.190 -2.290 1 1 1231 . 2 1 1 A 101 101 SER CB C 101 67.000 64.349 2.651 1 1 1232 . 2 1 1 A 101 101 SER N N 101 123.850 123.735 0.115 1 1 1233 . 2 1 1 A 102 102 ALA H H 102 9.240 9.016 0.224 1 1 1234 . 2 1 1 A 102 102 ALA HA H 102 3.830 4.057 -0.227 1 1 1238 . 2 1 1 A 102 102 ALA C C 102 175.840 179.864 -4.024 1 1 1239 . 2 1 1 A 102 102 ALA CA C 102 56.170 55.800 0.370 1 1 1240 . 2 1 1 A 102 102 ALA CB C 102 18.200 17.974 0.226 1 1 1241 . 2 1 1 A 102 102 ALA N N 102 122.650 126.759 -4.109 1 1 1242 . 2 1 1 A 103 103 ALA H H 103 8.180 8.201 -0.021 1 1 1243 . 2 1 1 A 103 103 ALA HA H 103 3.980 3.983 -0.003 1 1 1247 . 2 1 1 A 103 103 ALA C C 103 175.260 180.264 -5.004 1 1 1248 . 2 1 1 A 103 103 ALA CA C 103 55.200 55.212 -0.012 1 1 1249 . 2 1 1 A 103 103 ALA CB C 103 18.500 18.735 -0.235 1 1 1250 . 2 1 1 A 103 103 ALA N N 103 118.250 119.411 -1.161 1 1 1251 . 2 1 1 A 104 104 GLU H H 104 7.860 7.915 -0.055 1 1 1252 . 2 1 1 A 104 104 GLU HA H 104 3.890 3.928 -0.038 1 1 1257 . 2 1 1 A 104 104 GLU C C 104 179.350 179.077 0.273 1 1 1258 . 2 1 1 A 104 104 GLU CA C 104 59.800 59.474 0.326 1 1 1259 . 2 1 1 A 104 104 GLU CB C 104 29.500 29.632 -0.132 1 1 1261 . 2 1 1 A 104 104 GLU N N 104 120.200 118.064 2.136 1 1 1262 . 2 1 1 A 105 105 LEU H H 105 8.500 7.943 0.557 1 1 1263 . 2 1 1 A 105 105 LEU HA H 105 3.960 3.942 0.018 1 1 1273 . 2 1 1 A 105 105 LEU C C 105 179.190 178.538 0.652 1 1 1274 . 2 1 1 A 105 105 LEU CA C 105 58.400 57.884 0.516 1 1 1275 . 2 1 1 A 105 105 LEU CB C 105 42.600 41.558 1.042 1 1 1279 . 2 1 1 A 105 105 LEU N N 105 120.100 121.164 -1.064 1 1 1280 . 2 1 1 A 106 106 ARG H H 106 8.490 8.313 0.177 1 1 1281 . 2 1 1 A 106 106 ARG HA H 106 3.550 3.935 -0.385 1 1 1288 . 2 1 1 A 106 106 ARG C C 106 175.240 178.436 -3.196 1 1 1289 . 2 1 1 A 106 106 ARG CA C 106 60.300 59.237 1.063 1 1 1290 . 2 1 1 A 106 106 ARG CB C 106 30.400 29.806 0.594 1 1 1293 . 2 1 1 A 106 106 ARG N N 106 117.300 120.081 -2.781 1 1 1294 . 2 1 1 A 107 107 HIS H H 107 7.870 7.996 -0.126 1 1 1295 . 2 1 1 A 107 107 HIS HA H 107 4.120 4.140 -0.020 1 1 1300 . 2 1 1 A 107 107 HIS C C 107 176.690 177.308 -0.618 1 1 1301 . 2 1 1 A 107 107 HIS CA C 107 60.300 59.156 1.144 1 1 1302 . 2 1 1 A 107 107 HIS CB C 107 31.100 29.678 1.422 1 1 1304 . 2 1 1 A 107 107 HIS N N 107 120.000 119.514 0.486 1 1 1306 . 2 1 1 A 108 108 VAL H H 108 8.190 8.599 -0.409 1 1 1307 . 2 1 1 A 108 108 VAL HA H 108 3.400 3.374 0.026 1 1 1315 . 2 1 1 A 108 108 VAL C C 108 178.430 177.814 0.616 1 1 1316 . 2 1 1 A 108 108 VAL CA C 108 66.500 66.429 0.071 1 1 1317 . 2 1 1 A 108 108 VAL CB C 108 31.800 30.954 0.846 1 1 1320 . 2 1 1 A 108 108 VAL N N 108 118.980 119.530 -0.550 1 1 1321 . 2 1 1 A 109 109 MET H H 109 8.180 7.681 0.499 1 1 1322 . 2 1 1 A 109 109 MET HA H 109 4.220 4.047 0.173 1 1 1330 . 2 1 1 A 109 109 MET C C 109 179.690 178.177 1.513 1 1 1331 . 2 1 1 A 109 109 MET CA C 109 57.300 58.721 -1.421 1 1 1332 . 2 1 1 A 109 109 MET CB C 109 29.700 32.372 -2.672 1 1 1335 . 2 1 1 A 109 109 MET N N 109 114.980 117.535 -2.555 1 1 1336 . 2 1 1 A 110 110 THR H H 110 8.220 8.167 0.053 1 1 1337 . 2 1 1 A 110 110 THR HA H 110 4.000 4.009 -0.009 1 1 1342 . 2 1 1 A 110 110 THR C C 110 176.410 176.250 0.160 1 1 1343 . 2 1 1 A 110 110 THR CA C 110 67.100 65.913 1.187 1 1 1344 . 2 1 1 A 110 110 THR CB C 110 68.500 68.146 0.354 1 1 1346 . 2 1 1 A 110 110 THR N N 110 116.970 113.068 3.902 1 1 1347 . 2 1 1 A 111 111 ASN H H 111 7.780 8.303 -0.523 1 1 1348 . 2 1 1 A 111 111 ASN HA H 111 4.320 4.402 -0.082 1 1 1353 . 2 1 1 A 111 111 ASN CA C 111 55.800 55.806 -0.006 1 1 1354 . 2 1 1 A 111 111 ASN CB C 111 38.200 37.358 0.842 1 1 1355 . 2 1 1 A 111 111 ASN N N 111 122.350 119.483 2.867 1 1 1357 . 2 1 1 A 112 112 LEU H H 112 7.480 7.302 0.178 1 1 1358 . 2 1 1 A 112 112 LEU HA H 112 4.210 4.265 -0.055 1 1 1368 . 2 1 1 A 112 112 LEU C C 112 178.710 176.992 1.718 1 1 1369 . 2 1 1 A 112 112 LEU CA C 112 55.100 55.226 -0.126 1 1 1370 . 2 1 1 A 112 112 LEU CB C 112 42.500 42.497 0.003 1 1 1374 . 2 1 1 A 112 112 LEU N N 112 118.300 117.592 0.708 1 1 1375 . 2 1 1 A 113 113 GLY H H 113 7.740 7.786 -0.046 1 1 1376 . 2 1 1 A 113 113 GLY HA2 H 113 3.580 3.932 -0.352 1 1 1377 . 2 1 1 A 113 113 GLY HA3 H 113 4.140 3.944 0.196 1 1 1378 . 2 1 1 A 113 113 GLY C C 113 176.830 174.801 2.029 1 1 1379 . 2 1 1 A 113 113 GLY CA C 113 45.370 46.431 -1.061 1 1 1380 . 2 1 1 A 113 113 GLY N N 113 106.500 108.218 -1.718 1 1 1381 . 2 1 1 A 114 114 GLU H H 114 7.780 7.829 -0.049 1 1 1382 . 2 1 1 A 114 114 GLU HA H 114 4.240 4.220 0.020 1 1 1387 . 2 1 1 A 114 114 GLU C C 114 176.790 176.039 0.751 1 1 1388 . 2 1 1 A 114 114 GLU CA C 114 54.800 58.054 -3.254 1 1 1389 . 2 1 1 A 114 114 GLU CB C 114 29.900 30.142 -0.242 1 1 1391 . 2 1 1 A 114 114 GLU N N 114 119.300 121.377 -2.077 1 1 1392 . 2 1 1 A 115 115 LYS H H 115 8.540 7.837 0.703 1 1 1393 . 2 1 1 A 115 115 LYS HA H 115 4.270 3.779 0.491 1 1 1402 . 2 1 1 A 115 115 LYS C C 115 174.300 175.636 -1.336 1 1 1403 . 2 1 1 A 115 115 LYS CA C 115 55.500 57.058 -1.558 1 1 1404 . 2 1 1 A 115 115 LYS CB C 115 31.900 30.409 1.491 1 1 1408 . 2 1 1 A 115 115 LYS N N 115 125.000 118.315 6.685 1 1 1409 . 2 1 1 A 116 116 LEU H H 116 8.000 7.947 0.053 1 1 1410 . 2 1 1 A 116 116 LEU HA H 116 4.630 4.344 0.286 1 1 1420 . 2 1 1 A 116 116 LEU C C 116 175.060 177.875 -2.815 1 1 1421 . 2 1 1 A 116 116 LEU CA C 116 54.100 54.738 -0.638 1 1 1422 . 2 1 1 A 116 116 LEU CB C 116 44.100 42.563 1.537 1 1 1426 . 2 1 1 A 116 116 LEU N N 116 123.620 120.348 3.272 1 1 1427 . 2 1 1 A 117 117 THR H H 117 9.140 8.768 0.372 1 1 1428 . 2 1 1 A 117 117 THR HA H 117 4.340 4.629 -0.289 1 1 1433 . 2 1 1 A 117 117 THR C C 117 175.610 175.262 0.348 1 1 1434 . 2 1 1 A 117 117 THR CA C 117 60.500 60.645 -0.145 1 1 1435 . 2 1 1 A 117 117 THR CB C 117 71.100 71.364 -0.264 1 1 1437 . 2 1 1 A 117 117 THR N N 117 114.240 115.018 -0.778 1 1 1438 . 2 1 1 A 118 118 ASP H H 118 8.820 8.920 -0.100 1 1 1439 . 2 1 1 A 118 118 ASP HA H 118 4.100 4.237 -0.137 1 1 1442 . 2 1 1 A 118 118 ASP C C 118 178.610 177.934 0.676 1 1 1443 . 2 1 1 A 118 118 ASP CA C 118 58.000 58.135 -0.135 1 1 1444 . 2 1 1 A 118 118 ASP CB C 118 39.700 41.196 -1.496 1 1 1445 . 2 1 1 A 118 118 ASP N N 118 120.660 121.792 -1.132 1 1 1446 . 2 1 1 A 119 119 GLU H H 119 8.450 8.201 0.249 1 1 1447 . 2 1 1 A 119 119 GLU HA H 119 3.960 3.992 -0.032 1 1 1452 . 2 1 1 A 119 119 GLU C C 119 175.620 179.261 -3.641 1 1 1453 . 2 1 1 A 119 119 GLU CA C 119 59.800 59.715 0.085 1 1 1454 . 2 1 1 A 119 119 GLU CB C 119 29.400 29.225 0.175 1 1 1456 . 2 1 1 A 119 119 GLU N N 119 118.790 117.917 0.873 1 1 1457 . 2 1 1 A 120 120 GLU H H 120 7.570 7.439 0.131 1 1 1458 . 2 1 1 A 120 120 GLU HA H 120 3.950 4.189 -0.239 1 1 1463 . 2 1 1 A 120 120 GLU C C 120 178.630 178.821 -0.191 1 1 1464 . 2 1 1 A 120 120 GLU CA C 120 59.600 58.490 1.110 1 1 1465 . 2 1 1 A 120 120 GLU CB C 120 29.400 28.982 0.418 1 1 1467 . 2 1 1 A 120 120 GLU N N 120 120.120 118.300 1.820 1 1 1468 . 2 1 1 A 121 121 VAL H H 121 7.750 8.107 -0.357 1 1 1469 . 2 1 1 A 121 121 VAL HA H 121 3.240 3.563 -0.323 1 1 1477 . 2 1 1 A 121 121 VAL C C 121 179.110 177.583 1.527 1 1 1478 . 2 1 1 A 121 121 VAL CA C 121 67.300 66.266 1.034 1 1 1479 . 2 1 1 A 121 121 VAL CB C 121 31.550 31.732 -0.182 1 1 1482 . 2 1 1 A 121 121 VAL N N 121 119.400 121.637 -2.237 1 1 1483 . 2 1 1 A 122 122 ASP H H 122 7.840 8.129 -0.289 1 1 1484 . 2 1 1 A 122 122 ASP HA H 122 4.260 4.370 -0.110 1 1 1487 . 2 1 1 A 122 122 ASP C C 122 178.890 178.643 0.247 1 1 1488 . 2 1 1 A 122 122 ASP CA C 122 57.700 57.200 0.500 1 1 1489 . 2 1 1 A 122 122 ASP CB C 122 40.200 40.136 0.064 1 1 1490 . 2 1 1 A 122 122 ASP N N 122 118.550 119.487 -0.937 1 1 1491 . 2 1 1 A 123 123 GLU H H 123 8.110 8.248 -0.138 1 1 1492 . 2 1 1 A 123 123 GLU HA H 123 3.880 4.056 -0.176 1 1 1497 . 2 1 1 A 123 123 GLU C C 123 177.710 178.864 -1.154 1 1 1498 . 2 1 1 A 123 123 GLU CA C 123 59.600 59.389 0.211 1 1 1499 . 2 1 1 A 123 123 GLU CB C 123 29.400 29.244 0.156 1 1 1501 . 2 1 1 A 123 123 GLU N N 123 119.670 119.846 -0.176 1 1 1502 . 2 1 1 A 124 124 MET H H 124 8.000 8.052 -0.052 1 1 1503 . 2 1 1 A 124 124 MET HA H 124 3.700 4.105 -0.405 1 1 1511 . 2 1 1 A 124 124 MET C C 124 179.020 178.814 0.206 1 1 1512 . 2 1 1 A 124 124 MET CA C 124 60.700 58.654 2.046 1 1 1513 . 2 1 1 A 124 124 MET CB C 124 33.200 32.767 0.433 1 1 1516 . 2 1 1 A 124 124 MET N N 124 118.100 118.784 -0.684 1 1 1517 . 2 1 1 A 125 125 ILE H H 125 8.220 7.742 0.478 1 1 1518 . 2 1 1 A 125 125 ILE HA H 125 3.610 3.625 -0.015 1 1 1528 . 2 1 1 A 125 125 ILE C C 125 179.410 177.944 1.466 1 1 1529 . 2 1 1 A 125 125 ILE CA C 125 64.200 65.046 -0.846 1 1 1530 . 2 1 1 A 125 125 ILE CB C 125 36.000 37.855 -1.855 1 1 1534 . 2 1 1 A 125 125 ILE N N 125 121.400 119.448 1.952 1 1 1535 . 2 1 1 A 126 126 ARG H H 126 8.510 7.879 0.631 1 1 1536 . 2 1 1 A 126 126 ARG HA H 126 3.930 3.895 0.035 1 1 1543 . 2 1 1 A 126 126 ARG C C 126 178.070 178.838 -0.768 1 1 1544 . 2 1 1 A 126 126 ARG CA C 126 59.500 59.813 -0.313 1 1 1545 . 2 1 1 A 126 126 ARG CB C 126 30.300 29.733 0.567 1 1 1548 . 2 1 1 A 126 126 ARG N N 126 117.650 120.413 -2.763 1 1 1549 . 2 1 1 A 127 127 GLU H H 127 7.820 8.167 -0.347 1 1 1550 . 2 1 1 A 127 127 GLU HA H 127 3.880 4.034 -0.154 1 1 1555 . 2 1 1 A 127 127 GLU C C 127 180.080 178.146 1.934 1 1 1556 . 2 1 1 A 127 127 GLU CA C 127 58.300 59.336 -1.036 1 1 1557 . 2 1 1 A 127 127 GLU CB C 127 29.800 29.288 0.512 1 1 1559 . 2 1 1 A 127 127 GLU N N 127 115.300 118.745 -3.445 1 1 1560 . 2 1 1 A 128 128 ALA H H 128 6.960 7.263 -0.303 1 1 1561 . 2 1 1 A 128 128 ALA HA H 128 4.340 4.368 -0.028 1 1 1565 . 2 1 1 A 128 128 ALA C C 128 181.640 177.208 4.432 1 1 1566 . 2 1 1 A 128 128 ALA CA C 128 51.700 51.981 -0.281 1 1 1567 . 2 1 1 A 128 128 ALA CB C 128 22.400 20.123 2.277 1 1 1568 . 2 1 1 A 128 128 ALA N N 128 115.890 120.730 -4.840 1 1 1569 . 2 1 1 A 129 129 ASP H H 129 8.210 7.832 0.378 1 1 1570 . 2 1 1 A 129 129 ASP HA H 129 4.360 4.577 -0.217 1 1 1573 . 2 1 1 A 129 129 ASP C C 129 176.420 176.711 -0.291 1 1 1574 . 2 1 1 A 129 129 ASP CA C 129 54.300 54.273 0.027 1 1 1575 . 2 1 1 A 129 129 ASP CB C 129 40.400 40.914 -0.514 1 1 1576 . 2 1 1 A 129 129 ASP N N 129 117.100 118.568 -1.468 1 1 1577 . 2 1 1 A 130 130 ILE H H 130 8.250 9.053 -0.803 1 1 1578 . 2 1 1 A 130 130 ILE HA H 130 3.800 3.993 -0.193 1 1 1588 . 2 1 1 A 130 130 ILE C C 130 177.960 175.623 2.337 1 1 1589 . 2 1 1 A 130 130 ILE CA C 130 63.500 62.709 0.791 1 1 1590 . 2 1 1 A 130 130 ILE CB C 130 38.500 38.276 0.224 1 1 1594 . 2 1 1 A 130 130 ILE N N 130 127.900 127.707 0.193 1 1 1595 . 2 1 1 A 131 131 ASP H H 131 8.220 7.659 0.561 1 1 1596 . 2 1 1 A 131 131 ASP HA H 131 4.400 4.946 -0.546 1 1 1599 . 2 1 1 A 131 131 ASP C C 131 175.850 175.919 -0.069 1 1 1600 . 2 1 1 A 131 131 ASP CA C 131 53.800 52.370 1.430 1 1 1601 . 2 1 1 A 131 131 ASP CB C 131 39.900 44.046 -4.146 1 1 1602 . 2 1 1 A 131 131 ASP N N 131 116.250 117.384 -1.134 1 1 1603 . 2 1 1 A 132 132 GLY H H 132 7.520 9.070 -1.550 1 1 1604 . 2 1 1 A 132 132 GLY HA2 H 132 3.700 3.903 -0.203 1 1 1605 . 2 1 1 A 132 132 GLY HA3 H 132 3.900 3.908 -0.008 1 1 1606 . 2 1 1 A 132 132 GLY C C 132 177.820 175.074 2.746 1 1 1607 . 2 1 1 A 132 132 GLY CA C 132 47.400 47.235 0.165 1 1 1608 . 2 1 1 A 132 132 GLY N N 132 108.170 108.103 0.067 1 1 1609 . 2 1 1 A 133 133 ASP H H 133 8.240 8.328 -0.088 1 1 1610 . 2 1 1 A 133 133 ASP HA H 133 4.360 4.561 -0.201 1 1 1613 . 2 1 1 A 133 133 ASP C C 133 178.290 177.548 0.742 1 1 1614 . 2 1 1 A 133 133 ASP CA C 133 53.800 53.506 0.294 1 1 1615 . 2 1 1 A 133 133 ASP CB C 133 40.300 40.319 -0.019 1 1 1616 . 2 1 1 A 133 133 ASP N N 133 120.370 120.271 0.099 1 1 1617 . 2 1 1 A 134 134 GLY H H 134 10.140 9.558 0.582 1 1 1618 . 2 1 1 A 134 134 GLY HA2 H 134 3.300 3.842 -0.542 1 1 1619 . 2 1 1 A 134 134 GLY HA3 H 134 3.930 3.852 0.078 1 1 1620 . 2 1 1 A 134 134 GLY C C 134 175.350 173.251 2.099 1 1 1621 . 2 1 1 A 134 134 GLY CA C 134 45.900 45.640 0.260 1 1 1622 . 2 1 1 A 134 134 GLY N N 134 112.150 111.333 0.817 1 1 1623 . 2 1 1 A 135 135 GLN H H 135 7.910 8.172 -0.262 1 1 1624 . 2 1 1 A 135 135 GLN HA H 135 4.870 5.011 -0.141 1 1 1631 . 2 1 1 A 135 135 GLN C C 135 177.620 174.546 3.074 1 1 1632 . 2 1 1 A 135 135 GLN CA C 135 53.300 53.680 -0.380 1 1 1633 . 2 1 1 A 135 135 GLN CB C 135 33.000 32.658 0.342 1 1 1635 . 2 1 1 A 135 135 GLN N N 135 114.700 118.516 -3.816 1 1 1637 . 2 1 1 A 136 136 VAL H H 136 9.070 8.855 0.215 1 1 1638 . 2 1 1 A 136 136 VAL HA H 136 5.110 5.158 -0.048 1 1 1646 . 2 1 1 A 136 136 VAL C C 136 172.750 175.792 -3.042 1 1 1647 . 2 1 1 A 136 136 VAL CA C 136 61.800 61.721 0.079 1 1 1648 . 2 1 1 A 136 136 VAL CB C 136 34.100 33.065 1.035 1 1 1651 . 2 1 1 A 136 136 VAL N N 136 124.900 122.432 2.468 1 1 1652 . 2 1 1 A 137 137 ASN H H 137 9.450 9.051 0.399 1 1 1653 . 2 1 1 A 137 137 ASN HA H 137 5.240 5.019 0.221 1 1 1658 . 2 1 1 A 137 137 ASN CA C 137 51.400 52.693 -1.293 1 1 1659 . 2 1 1 A 137 137 ASN CB C 137 40.000 39.469 0.531 1 1 1660 . 2 1 1 A 137 137 ASN N N 137 128.840 126.010 2.830 1 1 1662 . 2 1 1 A 138 138 TYR H H 138 8.330 8.821 -0.491 1 1 1663 . 2 1 1 A 138 138 TYR HA H 138 3.240 4.272 -1.032 1 1 1670 . 2 1 1 A 138 138 TYR C C 138 180.030 177.172 2.858 1 1 1671 . 2 1 1 A 138 138 TYR CA C 138 62.400 62.322 0.078 1 1 1672 . 2 1 1 A 138 138 TYR CB C 138 38.000 38.469 -0.469 1 1 1677 . 2 1 1 A 138 138 TYR N N 138 118.150 123.501 -5.351 1 1 1678 . 2 1 1 A 139 139 GLU H H 139 7.990 8.218 -0.228 1 1 1679 . 2 1 1 A 139 139 GLU HA H 139 3.520 3.827 -0.307 1 1 1684 . 2 1 1 A 139 139 GLU C C 139 179.170 179.347 -0.177 1 1 1685 . 2 1 1 A 139 139 GLU CA C 139 60.550 60.156 0.394 1 1 1686 . 2 1 1 A 139 139 GLU CB C 139 29.100 29.581 -0.481 1 1 1688 . 2 1 1 A 139 139 GLU N N 139 118.100 117.962 0.138 1 1 1689 . 2 1 1 A 140 140 GLU H H 140 8.640 8.155 0.485 1 1 1690 . 2 1 1 A 140 140 GLU HA H 140 3.780 4.062 -0.282 1 1 1695 . 2 1 1 A 140 140 GLU C C 140 181.440 178.980 2.460 1 1 1696 . 2 1 1 A 140 140 GLU CA C 140 58.800 59.148 -0.348 1 1 1697 . 2 1 1 A 140 140 GLU CB C 140 29.200 29.587 -0.387 1 1 1699 . 2 1 1 A 140 140 GLU N N 140 119.300 120.331 -1.031 1 1 1700 . 2 1 1 A 141 141 PHE H H 141 8.470 8.118 0.352 1 1 1701 . 2 1 1 A 141 141 PHE HA H 141 3.380 3.821 -0.441 1 1 1709 . 2 1 1 A 141 141 PHE C C 141 178.980 176.741 2.239 1 1 1710 . 2 1 1 A 141 141 PHE CA C 141 61.900 61.371 0.529 1 1 1711 . 2 1 1 A 141 141 PHE CB C 141 40.200 39.282 0.918 1 1 1717 . 2 1 1 A 141 141 PHE N N 141 123.640 121.820 1.820 1 1 1718 . 2 1 1 A 142 142 VAL H H 142 8.510 8.065 0.445 1 1 1719 . 2 1 1 A 142 142 VAL HA H 142 3.000 3.320 -0.320 1 1 1727 . 2 1 1 A 142 142 VAL C C 142 176.540 177.656 -1.116 1 1 1728 . 2 1 1 A 142 142 VAL CA C 142 66.900 66.298 0.602 1 1 1729 . 2 1 1 A 142 142 VAL CB C 142 31.450 31.376 0.074 1 1 1732 . 2 1 1 A 142 142 VAL N N 142 118.330 119.025 -0.695 1 1 1733 . 2 1 1 A 143 143 GLN H H 143 7.520 8.144 -0.624 1 1 1734 . 2 1 1 A 143 143 GLN HA H 143 3.750 3.924 -0.174 1 1 1741 . 2 1 1 A 143 143 GLN C C 143 176.630 178.178 -1.548 1 1 1742 . 2 1 1 A 143 143 GLN CA C 143 58.900 59.269 -0.369 1 1 1743 . 2 1 1 A 143 143 GLN CB C 143 28.200 28.227 -0.027 1 1 1745 . 2 1 1 A 143 143 GLN N N 143 118.100 119.327 -1.227 1 1 1747 . 2 1 1 A 144 144 MET H H 144 7.250 7.759 -0.509 1 1 1748 . 2 1 1 A 144 144 MET HA H 144 4.090 4.211 -0.121 1 1 1756 . 2 1 1 A 144 144 MET C C 144 179.340 178.742 0.598 1 1 1757 . 2 1 1 A 144 144 MET CA C 144 56.750 57.626 -0.876 1 1 1758 . 2 1 1 A 144 144 MET CB C 144 30.800 32.209 -1.409 1 1 1761 . 2 1 1 A 144 144 MET N N 144 117.300 117.853 -0.553 1 1 1762 . 2 1 1 A 145 145 MET H H 145 7.460 7.772 -0.312 1 1 1763 . 2 1 1 A 145 145 MET HA H 145 3.900 3.989 -0.089 1 1 1771 . 2 1 1 A 145 145 MET C C 145 178.110 177.678 0.432 1 1 1772 . 2 1 1 A 145 145 MET CA C 145 56.800 57.950 -1.150 1 1 1773 . 2 1 1 A 145 145 MET CB C 145 31.800 33.600 -1.800 1 1 1776 . 2 1 1 A 145 145 MET N N 145 114.350 118.726 -4.376 1 1 1777 . 2 1 1 A 146 146 THR H H 146 7.560 8.048 -0.488 1 1 1778 . 2 1 1 A 146 146 THR HA H 146 4.220 4.404 -0.184 1 1 1783 . 2 1 1 A 146 146 THR C C 146 177.440 173.798 3.642 1 1 1784 . 2 1 1 A 146 146 THR CA C 146 62.650 60.989 1.661 1 1 1785 . 2 1 1 A 146 146 THR CB C 146 69.700 67.969 1.731 1 1 1787 . 2 1 1 A 146 146 THR N N 146 109.350 110.109 -0.759 1 1 1788 . 2 1 1 A 147 147 ALA H H 147 7.420 7.351 0.069 1 1 1789 . 2 1 1 A 147 147 ALA HA H 147 4.170 4.519 -0.349 1 1 1793 . 2 1 1 A 147 147 ALA C C 147 177.480 176.511 0.969 1 1 1794 . 2 1 1 A 147 147 ALA CA C 147 52.900 51.056 1.844 1 1 1795 . 2 1 1 A 147 147 ALA CB C 147 19.200 18.989 0.211 1 1 1796 . 2 1 1 A 147 147 ALA N N 147 125.650 125.996 -0.346 1 1 1814 . 2 2 2 B 1 1 ARG H H 1088 8.270 8.825 -0.555 1 1 1815 . 2 2 2 B 1 1 ARG HA H 1088 3.860 4.420 -0.560 1 1 1822 . 2 2 2 B 1 1 ARG CA C 1088 59.900 55.313 4.587 1 1 1823 . 2 2 2 B 1 1 ARG CB C 1088 29.900 29.881 0.019 1 1 1826 . 2 2 2 B 1 1 ARG N N 1088 117.300 126.126 -8.826 1 1 1827 . 2 2 2 B 2 2 GLY H H 1089 9.370 8.322 1.048 1 1 1828 . 2 2 2 B 2 2 GLY HA2 H 1089 3.520 3.940 -0.420 1 1 1829 . 2 2 2 B 2 2 GLY HA3 H 1089 3.730 3.979 -0.249 1 1 1830 . 2 2 2 B 2 2 GLY C C 1089 176.650 175.707 0.943 1 1 1831 . 2 2 2 B 2 2 GLY CA C 1089 47.200 46.620 0.580 1 1 1832 . 2 2 2 B 2 2 GLY N N 1089 105.000 111.884 -6.884 1 1 1833 . 2 2 2 B 3 3 GLN H H 1090 6.980 7.912 -0.932 1 1 1834 . 2 2 2 B 3 3 GLN HA H 1090 3.830 4.143 -0.313 1 1 1841 . 2 2 2 B 3 3 GLN C C 1090 177.680 178.606 -0.926 1 1 1842 . 2 2 2 B 3 3 GLN CA C 1090 59.100 58.685 0.415 1 1 1843 . 2 2 2 B 3 3 GLN CB C 1090 29.800 28.514 1.286 1 1 1845 . 2 2 2 B 3 3 GLN N N 1090 117.350 120.260 -2.910 1 1 1847 . 2 2 2 B 4 4 ILE H H 1091 7.760 7.913 -0.153 1 1 1848 . 2 2 2 B 4 4 ILE HA H 1091 3.480 3.678 -0.198 1 1 1858 . 2 2 2 B 4 4 ILE C C 1091 175.070 178.333 -3.263 1 1 1859 . 2 2 2 B 4 4 ILE CA C 1091 65.600 65.929 -0.329 1 1 1860 . 2 2 2 B 4 4 ILE CB C 1091 38.000 38.231 -0.231 1 1 1864 . 2 2 2 B 4 4 ILE N N 1091 119.650 121.131 -1.481 1 1 1865 . 2 2 2 B 5 5 LEU H H 1092 7.830 8.349 -0.519 1 1 1866 . 2 2 2 B 5 5 LEU HA H 1092 3.820 3.903 -0.083 1 1 1876 . 2 2 2 B 5 5 LEU C C 1092 176.220 179.086 -2.866 1 1 1877 . 2 2 2 B 5 5 LEU CA C 1092 58.250 58.372 -0.122 1 1 1878 . 2 2 2 B 5 5 LEU CB C 1092 41.700 42.177 -0.477 1 1 1882 . 2 2 2 B 5 5 LEU N N 1092 119.200 118.734 0.466 1 1 1883 . 2 2 2 B 6 6 TRP H H 1093 7.650 8.318 -0.668 1 1 1884 . 2 2 2 B 6 6 TRP HA H 1093 4.120 4.332 -0.212 1 1 1893 . 2 2 2 B 6 6 TRP C C 1093 178.490 179.257 -0.767 1 1 1894 . 2 2 2 B 6 6 TRP CA C 1093 61.100 60.493 0.607 1 1 1895 . 2 2 2 B 6 6 TRP CB C 1093 30.000 29.427 0.573 1 1 1901 . 2 2 2 B 6 6 TRP N N 1093 119.200 118.605 0.595 1 1 1903 . 2 2 2 B 7 7 PHE H H 1094 8.400 8.495 -0.095 1 1 1904 . 2 2 2 B 7 7 PHE HA H 1094 4.390 4.225 0.165 1 1 1912 . 2 2 2 B 7 7 PHE C C 1094 178.840 177.387 1.453 1 1 1913 . 2 2 2 B 7 7 PHE CA C 1094 59.700 61.536 -1.836 1 1 1914 . 2 2 2 B 7 7 PHE CB C 1094 37.000 39.250 -2.250 1 1 1919 . 2 2 2 B 7 7 PHE N N 1094 117.800 119.851 -2.051 1 1 1920 . 2 2 2 B 8 8 ARG H H 1095 8.360 8.344 0.016 1 1 1921 . 2 2 2 B 8 8 ARG HA H 1095 4.140 4.158 -0.018 1 1 1928 . 2 2 2 B 8 8 ARG C C 1095 178.290 179.055 -0.765 1 1 1929 . 2 2 2 B 8 8 ARG CA C 1095 59.600 59.779 -0.179 1 1 1930 . 2 2 2 B 8 8 ARG CB C 1095 30.500 30.185 0.315 1 1 1933 . 2 2 2 B 8 8 ARG N N 1095 120.800 117.960 2.840 1 1 1934 . 2 2 2 B 9 9 GLY H H 1096 8.330 8.250 0.080 1 1 1935 . 2 2 2 B 9 9 GLY HA2 H 1096 3.560 3.614 -0.054 1 1 1936 . 2 2 2 B 9 9 GLY HA3 H 1096 3.720 3.643 0.077 1 1 1937 . 2 2 2 B 9 9 GLY C C 1096 178.010 175.574 2.436 1 1 1938 . 2 2 2 B 9 9 GLY CA C 1096 47.200 47.246 -0.046 1 1 1939 . 2 2 2 B 9 9 GLY N N 1096 106.400 107.184 -0.784 1 1 1940 . 2 2 2 B 10 10 LEU H H 1097 9.090 7.639 1.451 1 1 1941 . 2 2 2 B 10 10 LEU HA H 1097 4.150 3.919 0.231 1 1 1951 . 2 2 2 B 10 10 LEU C C 1097 178.820 178.350 0.470 1 1 1952 . 2 2 2 B 10 10 LEU CA C 1097 58.500 57.194 1.306 1 1 1953 . 2 2 2 B 10 10 LEU CB C 1097 41.600 41.017 0.583 1 1 1957 . 2 2 2 B 10 10 LEU N N 1097 120.900 122.590 -1.690 1 1 1958 . 2 2 2 B 11 11 ASN H H 1098 8.380 7.863 0.517 1 1 1959 . 2 2 2 B 11 11 ASN HA H 1098 4.440 4.177 0.263 1 1 1964 . 2 2 2 B 11 11 ASN CA C 1098 56.700 56.812 -0.112 1 1 1965 . 2 2 2 B 11 11 ASN CB C 1098 38.700 39.658 -0.958 1 1 1966 . 2 2 2 B 11 11 ASN N N 1098 116.900 116.843 0.057 1 1 1968 . 2 2 2 B 12 12 ARG H H 1099 7.900 7.537 0.363 1 1 1969 . 2 2 2 B 12 12 ARG HA H 1099 3.980 4.075 -0.095 1 1 1976 . 2 2 2 B 12 12 ARG C C 1099 178.360 178.283 0.077 1 1 1977 . 2 2 2 B 12 12 ARG CA C 1099 60.200 59.110 1.090 1 1 1978 . 2 2 2 B 12 12 ARG CB C 1099 32.600 29.933 2.667 1 1 1981 . 2 2 2 B 12 12 ARG N N 1099 120.100 118.465 1.635 1 1 1982 . 2 2 2 B 13 13 ILE H H 1100 8.230 7.968 0.262 1 1 1983 . 2 2 2 B 13 13 ILE HA H 1100 3.840 3.633 0.207 1 1 1993 . 2 2 2 B 13 13 ILE C C 1100 178.110 177.915 0.195 1 1 1994 . 2 2 2 B 13 13 ILE CA C 1100 63.800 65.422 -1.622 1 1 1995 . 2 2 2 B 13 13 ILE CB C 1100 37.300 37.529 -0.229 1 1 1999 . 2 2 2 B 13 13 ILE N N 1100 120.350 120.815 -0.465 1 1 2000 . 2 2 2 B 14 14 GLN H H 1101 8.830 7.718 1.112 1 1 2001 . 2 2 2 B 14 14 GLN HA H 1101 3.990 3.922 0.068 1 1 2008 . 2 2 2 B 14 14 GLN C C 1101 177.860 178.812 -0.952 1 1 2009 . 2 2 2 B 14 14 GLN CA C 1101 60.000 59.080 0.920 1 1 2010 . 2 2 2 B 14 14 GLN CB C 1101 28.800 28.366 0.434 1 1 2012 . 2 2 2 B 14 14 GLN N N 1101 118.700 118.020 0.680 1 1 2014 . 2 2 2 B 15 15 THR H H 1102 8.140 7.640 0.500 1 1 2015 . 2 2 2 B 15 15 THR HA H 1102 3.890 3.785 0.105 1 1 2020 . 2 2 2 B 15 15 THR C C 1102 177.470 176.504 0.966 1 1 2021 . 2 2 2 B 15 15 THR CA C 1102 67.400 67.501 -0.101 1 1 2022 . 2 2 2 B 15 15 THR CB C 1102 70.300 68.516 1.784 1 1 2024 . 2 2 2 B 15 15 THR N N 1102 117.500 117.479 0.021 1 1 2025 . 2 2 2 B 16 16 GLN H H 1103 8.320 8.381 -0.061 1 1 2026 . 2 2 2 B 16 16 GLN HA H 1103 4.100 3.939 0.161 1 1 2033 . 2 2 2 B 16 16 GLN C C 1103 178.890 178.637 0.253 1 1 2034 . 2 2 2 B 16 16 GLN CA C 1103 60.600 59.246 1.354 1 1 2035 . 2 2 2 B 16 16 GLN CB C 1103 30.500 28.464 2.036 1 1 2037 . 2 2 2 B 16 16 GLN N N 1103 120.650 119.141 1.509 1 1 2039 . 2 2 2 B 17 17 ILE H H 1104 8.690 7.457 1.233 1 1 2040 . 2 2 2 B 17 17 ILE HA H 1104 3.470 3.993 -0.523 1 1 2050 . 2 2 2 B 17 17 ILE C C 1104 175.230 177.856 -2.626 1 1 2051 . 2 2 2 B 17 17 ILE CA C 1104 66.150 62.163 3.987 1 1 2052 . 2 2 2 B 17 17 ILE CB C 1104 38.300 37.857 0.443 1 1 2056 . 2 2 2 B 17 17 ILE N N 1104 119.400 120.008 -0.608 1 1 2057 . 2 2 2 B 18 18 LYS H H 1105 7.950 8.946 -0.996 1 1 2058 . 2 2 2 B 18 18 LYS HA H 1105 3.900 4.009 -0.109 1 1 2067 . 2 2 2 B 18 18 LYS C C 1105 177.660 178.661 -1.001 1 1 2068 . 2 2 2 B 18 18 LYS CA C 1105 60.050 59.798 0.252 1 1 2069 . 2 2 2 B 18 18 LYS CB C 1105 32.700 32.050 0.650 1 1 2073 . 2 2 2 B 18 18 LYS N N 1105 120.280 123.362 -3.082 1 1 2074 . 2 2 2 B 19 19 VAL H H 1106 8.280 7.482 0.798 1 1 2075 . 2 2 2 B 19 19 VAL HA H 1106 3.430 3.750 -0.320 1 1 2083 . 2 2 2 B 19 19 VAL C C 1106 177.660 178.488 -0.828 1 1 2084 . 2 2 2 B 19 19 VAL CA C 1106 65.900 66.534 -0.634 1 1 2085 . 2 2 2 B 19 19 VAL CB C 1106 31.400 31.635 -0.235 1 1 2088 . 2 2 2 B 19 19 VAL N N 1106 120.660 119.459 1.201 1 1 2089 . 2 2 2 B 20 20 VAL H H 1107 8.420 8.263 0.157 1 1 2090 . 2 2 2 B 20 20 VAL HA H 1107 3.580 3.744 -0.164 1 1 2098 . 2 2 2 B 20 20 VAL C C 1107 178.930 178.184 0.746 1 1 2099 . 2 2 2 B 20 20 VAL CA C 1107 68.390 66.633 1.757 1 1 2100 . 2 2 2 B 20 20 VAL CB C 1107 31.200 31.492 -0.292 1 1 2103 . 2 2 2 B 20 20 VAL N N 1107 119.990 120.493 -0.503 1 1 2104 . 2 2 2 B 21 21 LYS H H 1108 8.300 8.271 0.029 1 1 2105 . 2 2 2 B 21 21 LYS HA H 1108 4.050 4.114 -0.064 1 1 2114 . 2 2 2 B 21 21 LYS C C 1108 177.230 178.887 -1.657 1 1 2115 . 2 2 2 B 21 21 LYS CA C 1108 59.980 59.828 0.152 1 1 2116 . 2 2 2 B 21 21 LYS CB C 1108 32.400 32.194 0.206 1 1 2120 . 2 2 2 B 21 21 LYS N N 1108 119.290 119.185 0.105 1 1 2121 . 2 2 2 B 22 22 ALA H H 1109 7.690 8.022 -0.332 1 1 2122 . 2 2 2 B 22 22 ALA HA H 1109 3.900 4.161 -0.261 1 1 2126 . 2 2 2 B 22 22 ALA C C 1109 178.200 179.810 -1.610 1 1 2127 . 2 2 2 B 22 22 ALA CA C 1109 54.950 55.056 -0.106 1 1 2128 . 2 2 2 B 22 22 ALA CB C 1109 22.000 18.622 3.378 1 1 2129 . 2 2 2 B 22 22 ALA N N 1109 123.910 122.218 1.692 1 1 2130 . 2 2 2 B 23 23 PHE H H 1110 7.920 8.258 -0.338 1 1 2131 . 2 2 2 B 23 23 PHE HA H 1110 4.120 4.265 -0.145 1 1 2139 . 2 2 2 B 23 23 PHE C C 1110 178.840 178.382 0.458 1 1 2140 . 2 2 2 B 23 23 PHE CA C 1110 61.260 60.637 0.623 1 1 2141 . 2 2 2 B 23 23 PHE CB C 1110 40.200 38.975 1.225 1 1 2147 . 2 2 2 B 23 23 PHE N N 1110 118.200 115.588 2.612 1 1 2148 . 2 2 2 B 24 24 HIS H H 1111 7.960 7.632 0.328 1 1 2149 . 2 2 2 B 24 24 HIS HA H 1111 4.530 4.393 0.137 1 1 2155 . 2 2 2 B 24 24 HIS C C 1111 178.710 175.168 3.542 1 1 2156 . 2 2 2 B 24 24 HIS CA C 1111 57.200 60.102 -2.902 1 1 2157 . 2 2 2 B 24 24 HIS CB C 1111 30.200 29.857 0.343 1 1 2160 . 2 2 2 B 24 24 HIS N N 1111 117.760 117.449 0.311 1 1 2162 . 2 2 2 B 25 25 SER H H 1112 7.980 8.613 -0.633 1 1 2163 . 2 2 2 B 25 25 SER HA H 1112 4.340 4.034 0.306 1 1 2166 . 2 2 2 B 25 25 SER C C 1112 177.230 173.549 3.681 1 1 2167 . 2 2 2 B 25 25 SER CA C 1112 58.570 59.249 -0.679 1 1 2168 . 2 2 2 B 25 25 SER CB C 1112 63.800 61.880 1.920 1 1 2169 . 2 2 2 B 25 25 SER N N 1112 116.970 114.512 2.458 1 1 9 . 3 1 1 A 2 2 ASP H H 2 8.220 8.838 -0.618 1 1 10 . 3 1 1 A 2 2 ASP HA H 2 4.500 4.265 0.235 1 1 13 . 3 1 1 A 2 2 ASP CA C 2 54.750 55.556 -0.806 1 1 14 . 3 1 1 A 2 2 ASP CB C 2 41.350 39.691 1.659 1 1 15 . 3 1 1 A 2 2 ASP N N 2 121.760 115.919 5.841 1 1 16 . 3 1 1 A 3 3 GLN H H 3 8.320 7.629 0.691 1 1 17 . 3 1 1 A 3 3 GLN HA H 3 4.240 5.052 -0.812 1 1 24 . 3 1 1 A 3 3 GLN CA C 3 55.750 55.416 0.334 1 1 25 . 3 1 1 A 3 3 GLN CB C 3 29.700 30.063 -0.363 1 1 27 . 3 1 1 A 3 3 GLN N N 3 119.800 113.376 6.424 1 1 29 . 3 1 1 A 4 4 LEU H H 4 8.250 8.580 -0.330 1 1 30 . 3 1 1 A 4 4 LEU HA H 4 4.540 4.414 0.126 1 1 40 . 3 1 1 A 4 4 LEU C C 4 175.740 176.592 -0.852 1 1 41 . 3 1 1 A 4 4 LEU CA C 4 54.600 54.937 -0.337 1 1 42 . 3 1 1 A 4 4 LEU CB C 4 43.600 42.890 0.710 1 1 46 . 3 1 1 A 4 4 LEU N N 4 123.100 124.696 -1.596 1 1 47 . 3 1 1 A 5 5 THR H H 5 8.680 7.708 0.972 1 1 48 . 3 1 1 A 5 5 THR HA H 5 4.350 4.362 -0.012 1 1 53 . 3 1 1 A 5 5 THR C C 5 175.750 175.540 0.210 1 1 54 . 3 1 1 A 5 5 THR CA C 5 60.500 60.990 -0.490 1 1 55 . 3 1 1 A 5 5 THR CB C 5 71.100 70.187 0.913 1 1 57 . 3 1 1 A 5 5 THR N N 5 112.700 111.454 1.246 1 1 58 . 3 1 1 A 6 6 GLU H H 6 8.950 8.933 0.017 1 1 59 . 3 1 1 A 6 6 GLU HA H 6 3.880 4.017 -0.137 1 1 64 . 3 1 1 A 6 6 GLU C C 6 177.790 178.422 -0.632 1 1 65 . 3 1 1 A 6 6 GLU CA C 6 60.200 59.666 0.534 1 1 66 . 3 1 1 A 6 6 GLU CB C 6 29.300 29.122 0.178 1 1 68 . 3 1 1 A 6 6 GLU N N 6 119.950 122.880 -2.930 1 1 69 . 3 1 1 A 7 7 GLU H H 7 8.660 8.100 0.560 1 1 70 . 3 1 1 A 7 7 GLU HA H 7 3.940 3.993 -0.053 1 1 75 . 3 1 1 A 7 7 GLU C C 7 175.460 179.134 -3.674 1 1 76 . 3 1 1 A 7 7 GLU CA C 7 60.200 59.725 0.475 1 1 77 . 3 1 1 A 7 7 GLU CB C 7 29.100 29.354 -0.254 1 1 79 . 3 1 1 A 7 7 GLU N N 7 119.250 119.948 -0.698 1 1 80 . 3 1 1 A 8 8 GLN H H 8 7.670 7.622 0.048 1 1 81 . 3 1 1 A 8 8 GLN HA H 8 3.760 4.170 -0.410 1 1 88 . 3 1 1 A 8 8 GLN C C 8 179.600 178.698 0.902 1 1 89 . 3 1 1 A 8 8 GLN CA C 8 58.800 58.593 0.207 1 1 90 . 3 1 1 A 8 8 GLN CB C 8 29.300 28.441 0.859 1 1 92 . 3 1 1 A 8 8 GLN N N 8 120.000 119.196 0.804 1 1 94 . 3 1 1 A 9 9 ILE H H 9 8.280 8.682 -0.402 1 1 95 . 3 1 1 A 9 9 ILE HA H 9 3.580 3.897 -0.317 1 1 105 . 3 1 1 A 9 9 ILE C C 9 179.270 177.896 1.374 1 1 106 . 3 1 1 A 9 9 ILE CA C 9 66.400 65.760 0.640 1 1 107 . 3 1 1 A 9 9 ILE CB C 9 38.100 37.990 0.110 1 1 111 . 3 1 1 A 9 9 ILE N N 9 119.400 120.131 -0.731 1 1 112 . 3 1 1 A 10 10 ALA H H 10 7.950 8.191 -0.241 1 1 113 . 3 1 1 A 10 10 ALA HA H 10 4.020 4.005 0.015 1 1 117 . 3 1 1 A 10 10 ALA C C 10 178.490 179.973 -1.483 1 1 118 . 3 1 1 A 10 10 ALA CA C 10 55.400 55.821 -0.421 1 1 119 . 3 1 1 A 10 10 ALA CB C 10 17.950 18.331 -0.381 1 1 120 . 3 1 1 A 10 10 ALA N N 10 121.000 122.249 -1.249 1 1 121 . 3 1 1 A 11 11 GLU H H 11 7.730 7.863 -0.133 1 1 122 . 3 1 1 A 11 11 GLU HA H 11 4.030 3.969 0.061 1 1 127 . 3 1 1 A 11 11 GLU C C 11 177.860 179.447 -1.587 1 1 128 . 3 1 1 A 11 11 GLU CA C 11 59.500 59.432 0.068 1 1 129 . 3 1 1 A 11 11 GLU CB C 11 29.500 29.589 -0.089 1 1 131 . 3 1 1 A 11 11 GLU N N 11 119.700 118.293 1.407 1 1 132 . 3 1 1 A 12 12 PHE H H 12 8.470 8.178 0.292 1 1 133 . 3 1 1 A 12 12 PHE HA H 12 4.910 4.338 0.572 1 1 141 . 3 1 1 A 12 12 PHE C C 12 181.140 178.009 3.131 1 1 142 . 3 1 1 A 12 12 PHE CA C 12 59.200 61.845 -2.645 1 1 143 . 3 1 1 A 12 12 PHE CB C 12 37.700 38.640 -0.940 1 1 149 . 3 1 1 A 12 12 PHE N N 12 119.900 119.484 0.416 1 1 150 . 3 1 1 A 13 13 LYS H H 13 9.180 8.436 0.744 1 1 151 . 3 1 1 A 13 13 LYS HA H 13 3.860 3.767 0.093 1 1 160 . 3 1 1 A 13 13 LYS C C 13 180.730 178.519 2.211 1 1 161 . 3 1 1 A 13 13 LYS CA C 13 60.300 59.831 0.469 1 1 162 . 3 1 1 A 13 13 LYS CB C 13 31.900 32.685 -0.785 1 1 166 . 3 1 1 A 13 13 LYS N N 13 124.000 120.375 3.625 1 1 167 . 3 1 1 A 14 14 GLU H H 14 7.770 8.005 -0.235 1 1 168 . 3 1 1 A 14 14 GLU HA H 14 4.050 4.024 0.026 1 1 173 . 3 1 1 A 14 14 GLU C C 14 178.750 178.997 -0.247 1 1 174 . 3 1 1 A 14 14 GLU CA C 14 59.300 59.484 -0.184 1 1 175 . 3 1 1 A 14 14 GLU CB C 14 29.300 29.092 0.208 1 1 177 . 3 1 1 A 14 14 GLU N N 14 120.060 117.903 2.157 1 1 178 . 3 1 1 A 15 15 ALA H H 15 8.020 7.563 0.457 1 1 179 . 3 1 1 A 15 15 ALA HA H 15 4.110 4.116 -0.006 1 1 183 . 3 1 1 A 15 15 ALA C C 15 179.220 179.849 -0.629 1 1 184 . 3 1 1 A 15 15 ALA CA C 15 55.900 54.897 1.003 1 1 185 . 3 1 1 A 15 15 ALA CB C 15 18.430 18.074 0.356 1 1 186 . 3 1 1 A 15 15 ALA N N 15 121.660 122.706 -1.046 1 1 187 . 3 1 1 A 16 16 PHE H H 16 8.700 8.150 0.550 1 1 188 . 3 1 1 A 16 16 PHE HA H 16 3.190 3.686 -0.496 1 1 196 . 3 1 1 A 16 16 PHE C C 16 176.350 178.544 -2.194 1 1 197 . 3 1 1 A 16 16 PHE CA C 16 62.300 59.690 2.610 1 1 198 . 3 1 1 A 16 16 PHE CB C 16 39.800 37.878 1.922 1 1 204 . 3 1 1 A 16 16 PHE N N 16 118.400 116.457 1.943 1 1 205 . 3 1 1 A 17 17 SER H H 17 8.040 7.484 0.556 1 1 206 . 3 1 1 A 17 17 SER HA H 17 4.110 4.141 -0.031 1 1 209 . 3 1 1 A 17 17 SER C C 17 178.820 176.311 2.509 1 1 210 . 3 1 1 A 17 17 SER CA C 17 61.600 61.717 -0.117 1 1 211 . 3 1 1 A 17 17 SER CB C 17 63.200 63.197 0.003 1 1 212 . 3 1 1 A 17 17 SER N N 17 114.290 115.486 -1.196 1 1 213 . 3 1 1 A 18 18 LEU H H 18 7.440 7.770 -0.330 1 1 214 . 3 1 1 A 18 18 LEU HA H 18 3.970 3.951 0.019 1 1 224 . 3 1 1 A 18 18 LEU C C 18 178.630 178.171 0.459 1 1 225 . 3 1 1 A 18 18 LEU CA C 18 56.800 57.837 -1.037 1 1 226 . 3 1 1 A 18 18 LEU CB C 18 42.600 41.493 1.107 1 1 230 . 3 1 1 A 18 18 LEU N N 18 118.200 122.460 -4.260 1 1 231 . 3 1 1 A 19 19 PHE H H 19 7.330 6.101 1.229 1 1 232 . 3 1 1 A 19 19 PHE HA H 19 3.950 4.662 -0.712 1 1 240 . 3 1 1 A 19 19 PHE C C 19 174.460 175.226 -0.766 1 1 241 . 3 1 1 A 19 19 PHE CA C 19 59.300 56.992 2.308 1 1 242 . 3 1 1 A 19 19 PHE CB C 19 41.800 39.712 2.088 1 1 248 . 3 1 1 A 19 19 PHE N N 19 114.900 113.460 1.440 1 1 249 . 3 1 1 A 20 20 ASP H H 20 7.780 7.097 0.683 1 1 250 . 3 1 1 A 20 20 ASP HA H 20 4.480 5.037 -0.557 1 1 253 . 3 1 1 A 20 20 ASP C C 20 176.700 175.848 0.852 1 1 254 . 3 1 1 A 20 20 ASP CA C 20 52.400 53.367 -0.967 1 1 255 . 3 1 1 A 20 20 ASP CB C 20 39.400 39.374 0.026 1 1 256 . 3 1 1 A 20 20 ASP N N 20 117.700 122.286 -4.586 1 1 257 . 3 1 1 A 21 21 LYS H H 21 7.480 8.018 -0.538 1 1 258 . 3 1 1 A 21 21 LYS HA H 21 3.840 4.110 -0.270 1 1 267 . 3 1 1 A 21 21 LYS C C 21 175.550 177.663 -2.113 1 1 268 . 3 1 1 A 21 21 LYS CA C 21 58.300 59.207 -0.907 1 1 269 . 3 1 1 A 21 21 LYS CB C 21 32.600 32.764 -0.164 1 1 273 . 3 1 1 A 21 21 LYS N N 21 124.200 125.223 -1.023 1 1 274 . 3 1 1 A 22 22 ASP H H 22 7.910 7.992 -0.082 1 1 275 . 3 1 1 A 22 22 ASP HA H 22 4.460 4.648 -0.188 1 1 278 . 3 1 1 A 22 22 ASP C C 22 176.920 177.809 -0.889 1 1 279 . 3 1 1 A 22 22 ASP CA C 22 53.400 53.083 0.317 1 1 280 . 3 1 1 A 22 22 ASP CB C 22 39.800 39.803 -0.003 1 1 281 . 3 1 1 A 22 22 ASP N N 22 113.500 114.353 -0.853 1 1 282 . 3 1 1 A 23 23 GLY H H 23 7.540 8.010 -0.470 1 1 283 . 3 1 1 A 23 23 GLY HA2 H 23 3.730 3.879 -0.149 1 1 284 . 3 1 1 A 23 23 GLY HA3 H 23 3.730 3.888 -0.158 1 1 285 . 3 1 1 A 23 23 GLY C C 23 178.030 175.136 2.894 1 1 286 . 3 1 1 A 23 23 GLY CA C 23 47.400 47.284 0.116 1 1 287 . 3 1 1 A 23 23 GLY N N 23 109.200 108.905 0.295 1 1 288 . 3 1 1 A 24 24 ASP H H 24 8.430 7.769 0.661 1 1 289 . 3 1 1 A 24 24 ASP HA H 24 4.410 4.582 -0.172 1 1 292 . 3 1 1 A 24 24 ASP C C 24 177.580 177.555 0.025 1 1 293 . 3 1 1 A 24 24 ASP CA C 24 53.770 53.574 0.196 1 1 294 . 3 1 1 A 24 24 ASP CB C 24 40.200 40.380 -0.180 1 1 295 . 3 1 1 A 24 24 ASP N N 24 120.700 120.642 0.058 1 1 296 . 3 1 1 A 25 25 GLY H H 25 10.370 9.513 0.857 1 1 297 . 3 1 1 A 25 25 GLY HA2 H 25 4.240 3.975 0.265 1 1 298 . 3 1 1 A 25 25 GLY HA3 H 25 3.610 3.995 -0.385 1 1 299 . 3 1 1 A 25 25 GLY C C 25 175.160 173.587 1.573 1 1 300 . 3 1 1 A 25 25 GLY CA C 25 45.300 45.483 -0.183 1 1 301 . 3 1 1 A 25 25 GLY N N 25 112.100 112.038 0.062 1 1 302 . 3 1 1 A 26 26 THR H H 26 8.060 8.236 -0.176 1 1 303 . 3 1 1 A 26 26 THR HA H 26 5.430 5.015 0.415 1 1 308 . 3 1 1 A 26 26 THR C C 26 177.260 173.344 3.916 1 1 309 . 3 1 1 A 26 26 THR CA C 26 59.500 58.923 0.577 1 1 310 . 3 1 1 A 26 26 THR CB C 26 72.800 73.158 -0.358 1 1 312 . 3 1 1 A 26 26 THR N N 26 110.950 109.647 1.303 1 1 313 . 3 1 1 A 27 27 ILE H H 27 9.890 8.609 1.281 1 1 314 . 3 1 1 A 27 27 ILE HA H 27 4.680 5.083 -0.403 1 1 324 . 3 1 1 A 27 27 ILE C C 27 173.810 175.610 -1.800 1 1 325 . 3 1 1 A 27 27 ILE CA C 27 61.250 60.486 0.764 1 1 326 . 3 1 1 A 27 27 ILE CB C 27 40.700 38.620 2.080 1 1 330 . 3 1 1 A 27 27 ILE N N 27 125.400 124.644 0.756 1 1 331 . 3 1 1 A 28 28 THR H H 28 8.290 8.421 -0.131 1 1 332 . 3 1 1 A 28 28 THR HA H 28 4.680 4.914 -0.234 1 1 337 . 3 1 1 A 28 28 THR C C 28 173.550 176.151 -2.601 1 1 338 . 3 1 1 A 28 28 THR CA C 28 59.200 59.418 -0.218 1 1 339 . 3 1 1 A 28 28 THR CB C 28 72.600 72.095 0.505 1 1 341 . 3 1 1 A 28 28 THR N N 28 116.000 117.757 -1.757 1 1 342 . 3 1 1 A 29 29 THR H H 29 9.180 8.848 0.332 1 1 343 . 3 1 1 A 29 29 THR HA H 29 3.570 3.882 -0.312 1 1 348 . 3 1 1 A 29 29 THR C C 29 176.080 176.252 -0.172 1 1 349 . 3 1 1 A 29 29 THR CA C 29 66.100 66.612 -0.512 1 1 350 . 3 1 1 A 29 29 THR CB C 29 67.650 68.276 -0.626 1 1 352 . 3 1 1 A 29 29 THR N N 29 111.440 114.925 -3.485 1 1 353 . 3 1 1 A 30 30 LYS H H 30 7.340 8.009 -0.669 1 1 354 . 3 1 1 A 30 30 LYS HA H 30 3.960 3.948 0.012 1 1 363 . 3 1 1 A 30 30 LYS C C 30 176.660 179.405 -2.745 1 1 364 . 3 1 1 A 30 30 LYS CA C 30 59.100 59.933 -0.833 1 1 365 . 3 1 1 A 30 30 LYS CB C 30 32.700 32.305 0.395 1 1 369 . 3 1 1 A 30 30 LYS N N 30 120.350 122.657 -2.307 1 1 370 . 3 1 1 A 31 31 GLU H H 31 7.760 8.331 -0.571 1 1 371 . 3 1 1 A 31 31 GLU HA H 31 4.000 4.113 -0.113 1 1 376 . 3 1 1 A 31 31 GLU C C 31 177.230 179.009 -1.779 1 1 377 . 3 1 1 A 31 31 GLU CA C 31 59.600 58.961 0.639 1 1 378 . 3 1 1 A 31 31 GLU CB C 31 29.600 28.451 1.149 1 1 380 . 3 1 1 A 31 31 GLU N N 31 122.300 118.149 4.151 1 1 381 . 3 1 1 A 32 32 LEU H H 32 8.370 8.164 0.206 1 1 382 . 3 1 1 A 32 32 LEU HA H 32 4.060 3.875 0.185 1 1 392 . 3 1 1 A 32 32 LEU C C 32 179.400 178.616 0.784 1 1 393 . 3 1 1 A 32 32 LEU CA C 32 57.550 57.923 -0.373 1 1 394 . 3 1 1 A 32 32 LEU CB C 32 41.700 41.957 -0.257 1 1 398 . 3 1 1 A 32 32 LEU N N 32 120.100 122.915 -2.815 1 1 399 . 3 1 1 A 33 33 GLY H H 33 8.650 8.008 0.642 1 1 400 . 3 1 1 A 33 33 GLY HA2 H 33 3.450 3.853 -0.403 1 1 401 . 3 1 1 A 33 33 GLY HA3 H 33 3.800 3.854 -0.054 1 1 402 . 3 1 1 A 33 33 GLY C C 33 179.640 176.247 3.393 1 1 403 . 3 1 1 A 33 33 GLY CA C 33 48.300 47.626 0.674 1 1 404 . 3 1 1 A 33 33 GLY N N 33 105.700 106.135 -0.435 1 1 405 . 3 1 1 A 34 34 THR H H 34 8.070 7.938 0.132 1 1 406 . 3 1 1 A 34 34 THR HA H 34 3.790 4.015 -0.225 1 1 411 . 3 1 1 A 34 34 THR C C 34 178.670 175.920 2.750 1 1 412 . 3 1 1 A 34 34 THR CA C 34 67.300 67.116 0.184 1 1 413 . 3 1 1 A 34 34 THR CB C 34 68.700 68.621 0.079 1 1 415 . 3 1 1 A 34 34 THR N N 34 118.140 118.905 -0.765 1 1 416 . 3 1 1 A 35 35 VAL H H 35 7.510 7.743 -0.233 1 1 417 . 3 1 1 A 35 35 VAL HA H 35 3.480 3.578 -0.098 1 1 425 . 3 1 1 A 35 35 VAL C C 35 175.050 177.666 -2.616 1 1 426 . 3 1 1 A 35 35 VAL CA C 35 66.500 66.934 -0.434 1 1 427 . 3 1 1 A 35 35 VAL CB C 35 31.400 31.386 0.014 1 1 430 . 3 1 1 A 35 35 VAL N N 35 121.400 121.788 -0.388 1 1 431 . 3 1 1 A 36 36 MET H H 36 8.530 7.983 0.547 1 1 432 . 3 1 1 A 36 36 MET HA H 36 3.590 4.110 -0.520 1 1 440 . 3 1 1 A 36 36 MET C C 36 177.410 177.877 -0.467 1 1 441 . 3 1 1 A 36 36 MET CA C 36 61.900 58.553 3.347 1 1 442 . 3 1 1 A 36 36 MET CB C 36 32.600 31.122 1.478 1 1 445 . 3 1 1 A 36 36 MET N N 36 118.970 118.253 0.717 1 1 446 . 3 1 1 A 37 37 ARG H H 37 8.600 8.308 0.292 1 1 447 . 3 1 1 A 37 37 ARG HA H 37 4.720 4.111 0.609 1 1 454 . 3 1 1 A 37 37 ARG C C 37 179.250 178.676 0.574 1 1 455 . 3 1 1 A 37 37 ARG CA C 37 59.450 59.381 0.069 1 1 456 . 3 1 1 A 37 37 ARG CB C 37 30.200 30.067 0.133 1 1 459 . 3 1 1 A 37 37 ARG N N 37 118.400 120.313 -1.913 1 1 460 . 3 1 1 A 38 38 SER H H 38 7.830 7.709 0.121 1 1 461 . 3 1 1 A 38 38 SER HA H 38 4.240 4.335 -0.095 1 1 464 . 3 1 1 A 38 38 SER C C 38 178.480 176.806 1.674 1 1 465 . 3 1 1 A 38 38 SER CA C 38 62.100 60.788 1.312 1 1 466 . 3 1 1 A 38 38 SER CB C 38 63.400 62.975 0.425 1 1 467 . 3 1 1 A 38 38 SER N N 38 119.400 114.596 4.804 1 1 468 . 3 1 1 A 39 39 LEU H H 39 7.280 8.362 -1.082 1 1 469 . 3 1 1 A 39 39 LEU HA H 39 4.360 4.470 -0.110 1 1 479 . 3 1 1 A 39 39 LEU C C 39 178.240 176.762 1.478 1 1 480 . 3 1 1 A 39 39 LEU CA C 39 54.300 55.529 -1.229 1 1 481 . 3 1 1 A 39 39 LEU CB C 39 42.100 42.712 -0.612 1 1 485 . 3 1 1 A 39 39 LEU N N 39 119.950 121.899 -1.949 1 1 486 . 3 1 1 A 40 40 GLY H H 40 7.740 8.276 -0.536 1 1 487 . 3 1 1 A 40 40 GLY HA2 H 40 4.140 3.947 0.193 1 1 488 . 3 1 1 A 40 40 GLY HA3 H 40 3.650 3.954 -0.304 1 1 489 . 3 1 1 A 40 40 GLY C C 40 176.140 173.888 2.252 1 1 490 . 3 1 1 A 40 40 GLY CA C 40 45.300 45.714 -0.414 1 1 491 . 3 1 1 A 40 40 GLY N N 40 105.750 108.534 -2.784 1 1 492 . 3 1 1 A 41 41 GLN H H 41 7.710 7.843 -0.133 1 1 493 . 3 1 1 A 41 41 GLN HA H 41 4.360 4.703 -0.343 1 1 500 . 3 1 1 A 41 41 GLN C C 41 176.700 174.961 1.739 1 1 501 . 3 1 1 A 41 41 GLN CA C 41 54.900 54.103 0.797 1 1 502 . 3 1 1 A 41 41 GLN CB C 41 29.600 30.900 -1.300 1 1 504 . 3 1 1 A 41 41 GLN N N 41 118.400 119.190 -0.790 1 1 506 . 3 1 1 A 42 42 ASN H H 42 8.640 8.972 -0.332 1 1 507 . 3 1 1 A 42 42 ASN HA H 42 5.150 5.362 -0.212 1 1 512 . 3 1 1 A 42 42 ASN CA C 42 51.200 50.201 0.999 1 1 513 . 3 1 1 A 42 42 ASN CB C 42 39.500 38.927 0.573 1 1 514 . 3 1 1 A 42 42 ASN N N 42 115.610 121.928 -6.318 1 1 516 . 3 1 1 A 43 43 PRO HA H 43 4.540 4.575 -0.035 1 1 523 . 3 1 1 A 43 43 PRO C C 43 179.440 176.879 2.561 1 1 524 . 3 1 1 A 43 43 PRO CA C 43 62.450 62.938 -0.488 1 1 525 . 3 1 1 A 43 43 PRO CB C 43 31.500 31.776 -0.276 1 1 528 . 3 1 1 A 44 44 THR H H 44 8.660 8.066 0.594 1 1 529 . 3 1 1 A 44 44 THR HA H 44 4.340 4.510 -0.170 1 1 534 . 3 1 1 A 44 44 THR CA C 44 60.450 60.473 -0.023 1 1 535 . 3 1 1 A 44 44 THR CB C 44 71.400 70.974 0.426 1 1 537 . 3 1 1 A 44 44 THR N N 44 112.600 112.998 -0.398 1 1 538 . 3 1 1 A 45 45 GLU H H 45 8.720 9.072 -0.352 1 1 539 . 3 1 1 A 45 45 GLU HA H 45 3.870 3.905 -0.035 1 1 544 . 3 1 1 A 45 45 GLU C C 45 174.270 178.166 -3.896 1 1 545 . 3 1 1 A 45 45 GLU CA C 45 59.900 59.832 0.068 1 1 546 . 3 1 1 A 45 45 GLU CB C 45 29.200 29.262 -0.062 1 1 548 . 3 1 1 A 45 45 GLU N N 45 120.150 122.164 -2.014 1 1 549 . 3 1 1 A 46 46 ALA H H 46 8.200 8.299 -0.099 1 1 550 . 3 1 1 A 46 46 ALA HA H 46 3.980 4.043 -0.063 1 1 554 . 3 1 1 A 46 46 ALA C C 46 175.180 180.015 -4.835 1 1 555 . 3 1 1 A 46 46 ALA CA C 46 55.100 54.870 0.230 1 1 556 . 3 1 1 A 46 46 ALA CB C 46 18.300 18.235 0.065 1 1 557 . 3 1 1 A 46 46 ALA N N 46 120.450 121.456 -1.006 1 1 558 . 3 1 1 A 47 47 GLU H H 47 7.630 7.835 -0.205 1 1 559 . 3 1 1 A 47 47 GLU HA H 47 3.890 4.128 -0.238 1 1 564 . 3 1 1 A 47 47 GLU C C 47 179.020 179.060 -0.040 1 1 565 . 3 1 1 A 47 47 GLU CA C 47 59.500 58.769 0.731 1 1 566 . 3 1 1 A 47 47 GLU CB C 47 29.600 29.387 0.213 1 1 568 . 3 1 1 A 47 47 GLU N N 47 118.320 118.460 -0.140 1 1 569 . 3 1 1 A 48 48 LEU H H 48 7.880 8.277 -0.397 1 1 570 . 3 1 1 A 48 48 LEU HA H 48 3.790 3.963 -0.173 1 1 580 . 3 1 1 A 48 48 LEU C C 48 180.200 179.813 0.387 1 1 581 . 3 1 1 A 48 48 LEU CA C 48 58.150 57.901 0.249 1 1 582 . 3 1 1 A 48 48 LEU CB C 48 42.800 41.613 1.187 1 1 586 . 3 1 1 A 48 48 LEU N N 48 119.000 120.123 -1.123 1 1 587 . 3 1 1 A 49 49 GLN H H 49 8.080 7.776 0.304 1 1 588 . 3 1 1 A 49 49 GLN HA H 49 3.630 4.009 -0.379 1 1 595 . 3 1 1 A 49 49 GLN C C 49 177.680 178.183 -0.503 1 1 596 . 3 1 1 A 49 49 GLN CA C 49 58.600 58.891 -0.291 1 1 597 . 3 1 1 A 49 49 GLN CB C 49 28.500 28.534 -0.034 1 1 599 . 3 1 1 A 49 49 GLN N N 49 117.400 118.671 -1.271 1 1 601 . 3 1 1 A 50 50 ASP H H 50 7.960 8.233 -0.273 1 1 602 . 3 1 1 A 50 50 ASP HA H 50 4.300 4.365 -0.065 1 1 605 . 3 1 1 A 50 50 ASP C C 50 178.470 179.149 -0.679 1 1 606 . 3 1 1 A 50 50 ASP CA C 50 57.700 57.589 0.111 1 1 607 . 3 1 1 A 50 50 ASP CB C 50 40.600 40.516 0.084 1 1 608 . 3 1 1 A 50 50 ASP N N 50 119.050 119.979 -0.929 1 1 609 . 3 1 1 A 51 51 MET H H 51 7.750 8.316 -0.566 1 1 610 . 3 1 1 A 51 51 MET HA H 51 4.000 4.175 -0.175 1 1 618 . 3 1 1 A 51 51 MET C C 51 178.170 178.705 -0.535 1 1 619 . 3 1 1 A 51 51 MET CA C 51 59.500 58.569 0.931 1 1 620 . 3 1 1 A 51 51 MET CB C 51 34.700 33.012 1.688 1 1 623 . 3 1 1 A 51 51 MET N N 51 117.900 118.241 -0.341 1 1 624 . 3 1 1 A 52 52 ILE H H 52 7.580 7.959 -0.379 1 1 625 . 3 1 1 A 52 52 ILE HA H 52 3.620 3.509 0.111 1 1 635 . 3 1 1 A 52 52 ILE C C 52 178.690 177.854 0.836 1 1 636 . 3 1 1 A 52 52 ILE CA C 52 63.600 65.274 -1.674 1 1 637 . 3 1 1 A 52 52 ILE CB C 52 36.700 37.800 -1.100 1 1 641 . 3 1 1 A 52 52 ILE N N 52 116.850 119.115 -2.265 1 1 642 . 3 1 1 A 53 53 ASN H H 53 8.570 8.435 0.135 1 1 643 . 3 1 1 A 53 53 ASN HA H 53 4.310 4.410 -0.100 1 1 648 . 3 1 1 A 53 53 ASN CA C 53 56.400 56.470 -0.070 1 1 649 . 3 1 1 A 53 53 ASN CB C 53 38.300 38.008 0.292 1 1 650 . 3 1 1 A 53 53 ASN N N 53 116.900 118.345 -1.445 1 1 652 . 3 1 1 A 54 54 GLU H H 54 7.520 7.752 -0.232 1 1 653 . 3 1 1 A 54 54 GLU HA H 54 3.950 4.093 -0.143 1 1 658 . 3 1 1 A 54 54 GLU C C 54 178.070 178.510 -0.440 1 1 659 . 3 1 1 A 54 54 GLU CA C 54 59.000 58.925 0.075 1 1 660 . 3 1 1 A 54 54 GLU CB C 54 29.800 29.567 0.233 1 1 662 . 3 1 1 A 54 54 GLU N N 54 115.650 119.441 -3.791 1 1 663 . 3 1 1 A 55 55 VAL H H 55 7.020 7.145 -0.125 1 1 664 . 3 1 1 A 55 55 VAL HA H 55 4.110 4.018 0.092 1 1 672 . 3 1 1 A 55 55 VAL C C 55 177.890 176.242 1.648 1 1 673 . 3 1 1 A 55 55 VAL CA C 55 61.210 64.362 -3.152 1 1 674 . 3 1 1 A 55 55 VAL CB C 55 33.100 32.033 1.067 1 1 677 . 3 1 1 A 55 55 VAL N N 55 111.500 119.362 -7.862 1 1 678 . 3 1 1 A 56 56 ASP H H 56 7.460 7.886 -0.426 1 1 679 . 3 1 1 A 56 56 ASP HA H 56 4.360 4.623 -0.263 1 1 682 . 3 1 1 A 56 56 ASP C C 56 177.620 176.659 0.961 1 1 683 . 3 1 1 A 56 56 ASP CA C 56 53.550 53.554 -0.004 1 1 684 . 3 1 1 A 56 56 ASP CB C 56 40.600 40.347 0.253 1 1 685 . 3 1 1 A 56 56 ASP N N 56 121.330 121.757 -0.427 1 1 686 . 3 1 1 A 57 57 ALA H H 57 7.780 8.216 -0.436 1 1 687 . 3 1 1 A 57 57 ALA HA H 57 4.080 4.056 0.024 1 1 691 . 3 1 1 A 57 57 ALA C C 57 175.320 178.382 -3.062 1 1 692 . 3 1 1 A 57 57 ALA CA C 57 55.000 55.075 -0.075 1 1 693 . 3 1 1 A 57 57 ALA CB C 57 19.800 18.527 1.273 1 1 694 . 3 1 1 A 57 57 ALA N N 57 130.400 128.104 2.296 1 1 695 . 3 1 1 A 58 58 ASP H H 58 8.140 7.879 0.261 1 1 696 . 3 1 1 A 58 58 ASP HA H 58 4.540 4.577 -0.037 1 1 699 . 3 1 1 A 58 58 ASP C C 58 176.130 177.510 -1.380 1 1 700 . 3 1 1 A 58 58 ASP CA C 58 52.950 53.203 -0.253 1 1 701 . 3 1 1 A 58 58 ASP CB C 58 40.100 40.032 0.068 1 1 702 . 3 1 1 A 58 58 ASP N N 58 113.200 113.128 0.072 1 1 703 . 3 1 1 A 59 59 GLY H H 59 7.530 7.662 -0.132 1 1 704 . 3 1 1 A 59 59 GLY HA2 H 59 3.700 3.914 -0.214 1 1 705 . 3 1 1 A 59 59 GLY HA3 H 59 3.820 3.916 -0.096 1 1 706 . 3 1 1 A 59 59 GLY C C 59 178.830 175.276 3.554 1 1 707 . 3 1 1 A 59 59 GLY CA C 59 47.450 46.959 0.491 1 1 708 . 3 1 1 A 59 59 GLY N N 59 108.180 109.275 -1.095 1 1 709 . 3 1 1 A 60 60 ASN H H 60 8.080 8.644 -0.564 1 1 710 . 3 1 1 A 60 60 ASN HA H 60 4.500 4.676 -0.176 1 1 715 . 3 1 1 A 60 60 ASN CA C 60 52.900 52.623 0.277 1 1 716 . 3 1 1 A 60 60 ASN CB C 60 37.900 37.831 0.069 1 1 717 . 3 1 1 A 60 60 ASN N N 60 118.700 118.566 0.134 1 1 719 . 3 1 1 A 61 61 GLY H H 61 10.640 10.221 0.419 1 1 720 . 3 1 1 A 61 61 GLY HA2 H 61 3.370 3.878 -0.508 1 1 721 . 3 1 1 A 61 61 GLY HA3 H 61 4.190 3.881 0.309 1 1 722 . 3 1 1 A 61 61 GLY C C 61 174.970 173.435 1.535 1 1 723 . 3 1 1 A 61 61 GLY CA C 61 45.300 45.394 -0.094 1 1 724 . 3 1 1 A 61 61 GLY N N 61 113.400 111.995 1.405 1 1 725 . 3 1 1 A 62 62 THR H H 62 7.550 7.784 -0.234 1 1 726 . 3 1 1 A 62 62 THR HA H 62 4.620 4.926 -0.306 1 1 731 . 3 1 1 A 62 62 THR C C 62 176.870 172.653 4.217 1 1 732 . 3 1 1 A 62 62 THR CA C 62 59.550 59.683 -0.133 1 1 733 . 3 1 1 A 62 62 THR CB C 62 72.500 72.641 -0.141 1 1 735 . 3 1 1 A 62 62 THR N N 62 107.860 109.826 -1.966 1 1 736 . 3 1 1 A 63 63 ILE H H 63 8.790 8.524 0.266 1 1 737 . 3 1 1 A 63 63 ILE HA H 63 5.280 4.997 0.283 1 1 747 . 3 1 1 A 63 63 ILE C C 63 173.250 174.658 -1.408 1 1 748 . 3 1 1 A 63 63 ILE CA C 63 57.600 59.793 -2.193 1 1 749 . 3 1 1 A 63 63 ILE CB C 63 39.400 39.795 -0.395 1 1 753 . 3 1 1 A 63 63 ILE N N 63 123.900 121.500 2.400 1 1 754 . 3 1 1 A 64 64 ASP H H 64 8.720 8.862 -0.142 1 1 755 . 3 1 1 A 64 64 ASP HA H 64 5.350 4.900 0.450 1 1 758 . 3 1 1 A 64 64 ASP C C 64 172.850 176.958 -4.108 1 1 759 . 3 1 1 A 64 64 ASP CA C 64 52.100 51.754 0.346 1 1 760 . 3 1 1 A 64 64 ASP CB C 64 42.150 43.280 -1.130 1 1 761 . 3 1 1 A 64 64 ASP N N 64 127.860 128.184 -0.324 1 1 762 . 3 1 1 A 65 65 PHE H H 65 8.840 9.152 -0.312 1 1 763 . 3 1 1 A 65 65 PHE HA H 65 3.890 4.794 -0.904 1 1 771 . 3 1 1 A 65 65 PHE C C 65 175.750 174.429 1.321 1 1 772 . 3 1 1 A 65 65 PHE CA C 65 63.300 63.270 0.030 1 1 773 . 3 1 1 A 65 65 PHE CB C 65 36.100 37.388 -1.288 1 1 779 . 3 1 1 A 65 65 PHE N N 65 117.500 124.930 -7.430 1 1 780 . 3 1 1 A 66 66 PRO HA H 66 3.770 4.362 -0.592 1 1 787 . 3 1 1 A 66 66 PRO C C 66 175.840 179.362 -3.522 1 1 788 . 3 1 1 A 66 66 PRO CA C 66 67.100 66.460 0.640 1 1 789 . 3 1 1 A 66 66 PRO CB C 66 30.700 30.735 -0.035 1 1 792 . 3 1 1 A 67 67 GLU H H 67 8.340 8.748 -0.408 1 1 793 . 3 1 1 A 67 67 GLU HA H 67 3.920 4.120 -0.200 1 1 798 . 3 1 1 A 67 67 GLU CA C 67 59.400 59.147 0.253 1 1 799 . 3 1 1 A 67 67 GLU CB C 67 29.650 29.141 0.509 1 1 801 . 3 1 1 A 67 67 GLU N N 67 117.850 117.734 0.116 1 1 802 . 3 1 1 A 68 68 PHE H H 68 8.630 8.640 -0.010 1 1 803 . 3 1 1 A 68 68 PHE HA H 68 3.670 4.137 -0.467 1 1 811 . 3 1 1 A 68 68 PHE C C 68 174.810 177.473 -2.663 1 1 812 . 3 1 1 A 68 68 PHE CA C 68 61.400 61.297 0.103 1 1 813 . 3 1 1 A 68 68 PHE CB C 68 40.700 39.220 1.480 1 1 819 . 3 1 1 A 68 68 PHE N N 68 123.200 123.355 -0.155 1 1 820 . 3 1 1 A 69 69 LEU H H 69 8.800 8.635 0.165 1 1 821 . 3 1 1 A 69 69 LEU HA H 69 3.130 3.838 -0.708 1 1 831 . 3 1 1 A 69 69 LEU C C 69 179.310 178.977 0.333 1 1 832 . 3 1 1 A 69 69 LEU CA C 69 58.000 58.169 -0.169 1 1 833 . 3 1 1 A 69 69 LEU CB C 69 41.550 41.637 -0.087 1 1 837 . 3 1 1 A 69 69 LEU N N 69 119.930 120.105 -0.175 1 1 838 . 3 1 1 A 70 70 THR H H 70 7.550 7.674 -0.124 1 1 839 . 3 1 1 A 70 70 THR HA H 70 3.530 3.796 -0.266 1 1 844 . 3 1 1 A 70 70 THR C C 70 180.360 176.894 3.466 1 1 845 . 3 1 1 A 70 70 THR CA C 70 66.700 66.854 -0.154 1 1 846 . 3 1 1 A 70 70 THR CB C 70 68.500 68.205 0.295 1 1 848 . 3 1 1 A 70 70 THR N N 70 114.730 114.553 0.177 1 1 849 . 3 1 1 A 71 71 MET H H 71 7.000 8.001 -1.001 1 1 850 . 3 1 1 A 71 71 MET HA H 71 3.640 4.109 -0.469 1 1 858 . 3 1 1 A 71 71 MET C C 71 176.750 178.378 -1.628 1 1 859 . 3 1 1 A 71 71 MET CA C 71 58.800 58.170 0.630 1 1 860 . 3 1 1 A 71 71 MET CB C 71 32.000 32.301 -0.301 1 1 863 . 3 1 1 A 71 71 MET N N 71 119.750 118.140 1.610 1 1 864 . 3 1 1 A 72 72 MET H H 72 7.810 7.948 -0.138 1 1 865 . 3 1 1 A 72 72 MET HA H 72 3.880 4.204 -0.324 1 1 873 . 3 1 1 A 72 72 MET C C 72 174.850 178.464 -3.614 1 1 874 . 3 1 1 A 72 72 MET CA C 72 55.100 58.852 -3.752 1 1 875 . 3 1 1 A 72 72 MET CB C 72 28.900 32.540 -3.640 1 1 878 . 3 1 1 A 72 72 MET N N 72 115.300 118.543 -3.243 1 1 879 . 3 1 1 A 73 73 ALA H H 73 7.880 8.008 -0.128 1 1 880 . 3 1 1 A 73 73 ALA HA H 73 3.990 4.099 -0.109 1 1 884 . 3 1 1 A 73 73 ALA C C 73 177.940 179.979 -2.039 1 1 885 . 3 1 1 A 73 73 ALA CA C 73 53.900 54.953 -1.053 1 1 886 . 3 1 1 A 73 73 ALA CB C 73 18.600 18.322 0.278 1 1 887 . 3 1 1 A 73 73 ALA N N 73 120.000 121.038 -1.038 1 1 888 . 3 1 1 A 74 74 ARG H H 74 7.050 7.462 -0.412 1 1 889 . 3 1 1 A 74 74 ARG HA H 74 4.040 4.134 -0.094 1 1 896 . 3 1 1 A 74 74 ARG C C 74 178.910 176.896 2.014 1 1 897 . 3 1 1 A 74 74 ARG CA C 74 57.400 58.183 -0.783 1 1 898 . 3 1 1 A 74 74 ARG CB C 74 30.900 30.338 0.562 1 1 901 . 3 1 1 A 74 74 ARG N N 74 115.850 118.271 -2.421 1 1 902 . 3 1 1 A 75 75 LYS H H 75 7.820 7.873 -0.053 1 1 903 . 3 1 1 A 75 75 LYS HA H 75 4.200 4.318 -0.118 1 1 912 . 3 1 1 A 75 75 LYS C C 75 178.770 176.557 2.213 1 1 913 . 3 1 1 A 75 75 LYS CA C 75 55.900 55.061 0.839 1 1 914 . 3 1 1 A 75 75 LYS CB C 75 32.600 30.892 1.708 1 1 918 . 3 1 1 A 75 75 LYS N N 75 119.600 118.493 1.107 1 1 919 . 3 1 1 A 76 76 MET H H 76 8.100 8.364 -0.264 1 1 920 . 3 1 1 A 76 76 MET HA H 76 4.300 4.856 -0.556 1 1 928 . 3 1 1 A 76 76 MET C C 76 176.990 175.920 1.070 1 1 929 . 3 1 1 A 76 76 MET CA C 76 55.800 53.961 1.839 1 1 930 . 3 1 1 A 76 76 MET CB C 76 33.800 32.949 0.851 1 1 933 . 3 1 1 A 76 76 MET N N 76 122.300 124.391 -2.091 1 1 934 . 3 1 1 A 77 77 LYS H H 77 8.150 7.501 0.649 1 1 935 . 3 1 1 A 77 77 LYS HA H 77 4.210 4.173 0.037 1 1 944 . 3 1 1 A 77 77 LYS C C 77 176.890 174.791 2.099 1 1 945 . 3 1 1 A 77 77 LYS CA C 77 56.100 57.046 -0.946 1 1 946 . 3 1 1 A 77 77 LYS CB C 77 33.000 33.047 -0.047 1 1 950 . 3 1 1 A 77 77 LYS N N 77 121.300 122.451 -1.151 1 1 951 . 3 1 1 A 78 78 ASP H H 78 8.240 8.511 -0.271 1 1 952 . 3 1 1 A 78 78 ASP HA H 78 4.500 5.249 -0.749 1 1 955 . 3 1 1 A 78 78 ASP C C 78 176.090 175.184 0.906 1 1 956 . 3 1 1 A 78 78 ASP CA C 78 54.700 52.797 1.903 1 1 957 . 3 1 1 A 78 78 ASP CB C 78 41.300 44.097 -2.797 1 1 958 . 3 1 1 A 78 78 ASP N N 78 122.200 126.436 -4.236 1 1 959 . 3 1 1 A 79 79 THR H H 79 8.150 8.805 -0.655 1 1 960 . 3 1 1 A 79 79 THR HA H 79 4.220 4.615 -0.395 1 1 965 . 3 1 1 A 79 79 THR C C 79 176.240 173.764 2.476 1 1 966 . 3 1 1 A 79 79 THR CA C 79 61.500 62.240 -0.740 1 1 967 . 3 1 1 A 79 79 THR CB C 79 70.300 70.331 -0.031 1 1 969 . 3 1 1 A 79 79 THR N N 79 114.940 114.939 0.001 1 1 970 . 3 1 1 A 80 80 ASP H H 80 8.480 7.693 0.787 1 1 971 . 3 1 1 A 80 80 ASP HA H 80 4.600 4.760 -0.160 1 1 974 . 3 1 1 A 80 80 ASP C C 80 176.230 176.238 -0.008 1 1 975 . 3 1 1 A 80 80 ASP CA C 80 54.100 54.775 -0.675 1 1 976 . 3 1 1 A 80 80 ASP CB C 80 41.600 42.355 -0.755 1 1 977 . 3 1 1 A 80 80 ASP N N 80 123.800 118.800 5.000 1 1 978 . 3 1 1 A 81 81 SER H H 81 8.500 9.003 -0.503 1 1 979 . 3 1 1 A 81 81 SER HA H 81 4.220 4.113 0.107 1 1 982 . 3 1 1 A 81 81 SER C C 81 173.900 176.397 -2.497 1 1 983 . 3 1 1 A 81 81 SER CA C 81 60.400 61.712 -1.312 1 1 984 . 3 1 1 A 81 81 SER CB C 81 63.700 62.803 0.897 1 1 985 . 3 1 1 A 81 81 SER N N 81 118.450 119.023 -0.573 1 1 986 . 3 1 1 A 82 82 GLU H H 82 8.430 8.019 0.411 1 1 987 . 3 1 1 A 82 82 GLU HA H 82 4.010 4.190 -0.180 1 1 992 . 3 1 1 A 82 82 GLU C C 82 176.370 179.380 -3.010 1 1 993 . 3 1 1 A 82 82 GLU CA C 82 59.100 59.298 -0.198 1 1 994 . 3 1 1 A 82 82 GLU CB C 82 29.600 29.175 0.425 1 1 996 . 3 1 1 A 82 82 GLU N N 82 121.850 120.930 0.920 1 1 997 . 3 1 1 A 83 83 GLU H H 83 8.020 8.732 -0.712 1 1 998 . 3 1 1 A 83 83 GLU HA H 83 4.040 4.037 0.003 1 1 1003 . 3 1 1 A 83 83 GLU C C 83 175.890 178.701 -2.811 1 1 1004 . 3 1 1 A 83 83 GLU CA C 83 58.800 59.455 -0.655 1 1 1005 . 3 1 1 A 83 83 GLU CB C 83 29.400 29.285 0.115 1 1 1007 . 3 1 1 A 83 83 GLU N N 83 119.470 119.368 0.102 1 1 1008 . 3 1 1 A 84 84 GLU H H 84 7.930 7.868 0.062 1 1 1009 . 3 1 1 A 84 84 GLU HA H 84 4.150 4.178 -0.028 1 1 1014 . 3 1 1 A 84 84 GLU C C 84 176.160 179.445 -3.285 1 1 1015 . 3 1 1 A 84 84 GLU CA C 84 59.400 58.794 0.606 1 1 1016 . 3 1 1 A 84 84 GLU CB C 84 29.600 29.514 0.086 1 1 1018 . 3 1 1 A 84 84 GLU N N 84 118.310 119.281 -0.971 1 1 1019 . 3 1 1 A 85 85 ILE H H 85 7.880 8.044 -0.164 1 1 1020 . 3 1 1 A 85 85 ILE HA H 85 3.880 3.700 0.180 1 1 1030 . 3 1 1 A 85 85 ILE C C 85 179.870 177.592 2.278 1 1 1031 . 3 1 1 A 85 85 ILE CA C 85 65.400 64.992 0.408 1 1 1032 . 3 1 1 A 85 85 ILE CB C 85 37.400 37.672 -0.272 1 1 1036 . 3 1 1 A 85 85 ILE N N 85 120.900 120.838 0.062 1 1 1037 . 3 1 1 A 86 86 ARG H H 86 7.990 8.341 -0.351 1 1 1038 . 3 1 1 A 86 86 ARG HA H 86 4.030 4.028 0.002 1 1 1045 . 3 1 1 A 86 86 ARG C C 86 180.520 179.308 1.212 1 1 1046 . 3 1 1 A 86 86 ARG CA C 86 60.200 60.033 0.167 1 1 1047 . 3 1 1 A 86 86 ARG CB C 86 29.800 29.920 -0.120 1 1 1050 . 3 1 1 A 86 86 ARG N N 86 121.000 119.620 1.380 1 1 1051 . 3 1 1 A 87 87 GLU H H 87 8.350 8.553 -0.203 1 1 1052 . 3 1 1 A 87 87 GLU HA H 87 3.900 4.083 -0.183 1 1 1057 . 3 1 1 A 87 87 GLU C C 87 177.380 179.564 -2.184 1 1 1058 . 3 1 1 A 87 87 GLU CA C 87 59.600 59.419 0.181 1 1 1059 . 3 1 1 A 87 87 GLU CB C 87 29.500 29.729 -0.229 1 1 1061 . 3 1 1 A 87 87 GLU N N 87 117.860 119.656 -1.796 1 1 1062 . 3 1 1 A 88 88 ALA H H 88 7.880 7.845 0.035 1 1 1063 . 3 1 1 A 88 88 ALA HA H 88 4.060 4.245 -0.185 1 1 1067 . 3 1 1 A 88 88 ALA C C 88 178.580 179.633 -1.053 1 1 1068 . 3 1 1 A 88 88 ALA CA C 88 55.200 54.783 0.417 1 1 1069 . 3 1 1 A 88 88 ALA CB C 88 17.900 18.304 -0.404 1 1 1070 . 3 1 1 A 88 88 ALA N N 88 120.100 122.461 -2.361 1 1 1071 . 3 1 1 A 89 89 PHE H H 89 8.550 7.918 0.632 1 1 1072 . 3 1 1 A 89 89 PHE HA H 89 4.000 3.734 0.266 1 1 1080 . 3 1 1 A 89 89 PHE C C 89 179.770 177.304 2.466 1 1 1081 . 3 1 1 A 89 89 PHE CA C 89 61.800 61.304 0.496 1 1 1082 . 3 1 1 A 89 89 PHE CB C 89 39.130 39.046 0.084 1 1 1088 . 3 1 1 A 89 89 PHE N N 89 118.760 119.455 -0.695 1 1 1089 . 3 1 1 A 90 90 ARG H H 90 7.750 7.845 -0.095 1 1 1090 . 3 1 1 A 90 90 ARG HA H 90 3.760 3.989 -0.229 1 1 1097 . 3 1 1 A 90 90 ARG C C 90 179.090 178.804 0.286 1 1 1098 . 3 1 1 A 90 90 ARG CA C 90 58.800 59.155 -0.355 1 1 1099 . 3 1 1 A 90 90 ARG CB C 90 30.500 29.783 0.717 1 1 1102 . 3 1 1 A 90 90 ARG N N 90 115.100 118.662 -3.562 1 1 1103 . 3 1 1 A 91 91 VAL H H 91 7.270 7.547 -0.277 1 1 1104 . 3 1 1 A 91 91 VAL HA H 91 3.360 3.568 -0.208 1 1 1112 . 3 1 1 A 91 91 VAL C C 91 179.060 178.021 1.039 1 1 1113 . 3 1 1 A 91 91 VAL CA C 91 66.050 66.382 -0.332 1 1 1114 . 3 1 1 A 91 91 VAL CB C 91 31.200 31.712 -0.512 1 1 1117 . 3 1 1 A 91 91 VAL N N 91 117.450 119.505 -2.055 1 1 1118 . 3 1 1 A 92 92 PHE H H 92 7.000 7.765 -0.765 1 1 1119 . 3 1 1 A 92 92 PHE HA H 92 4.070 4.172 -0.102 1 1 1127 . 3 1 1 A 92 92 PHE C C 92 177.490 176.283 1.207 1 1 1128 . 3 1 1 A 92 92 PHE CA C 92 60.700 59.878 0.822 1 1 1129 . 3 1 1 A 92 92 PHE CB C 92 38.000 39.448 -1.448 1 1 1135 . 3 1 1 A 92 92 PHE N N 92 114.400 118.504 -4.104 1 1 1136 . 3 1 1 A 93 93 ASP H H 93 7.870 8.072 -0.202 1 1 1137 . 3 1 1 A 93 93 ASP HA H 93 4.450 4.572 -0.122 1 1 1140 . 3 1 1 A 93 93 ASP C C 93 176.830 176.719 0.111 1 1 1141 . 3 1 1 A 93 93 ASP CA C 93 52.300 52.502 -0.202 1 1 1142 . 3 1 1 A 93 93 ASP CB C 93 38.800 39.373 -0.573 1 1 1143 . 3 1 1 A 93 93 ASP N N 93 115.100 117.174 -2.074 1 1 1144 . 3 1 1 A 94 94 LYS H H 94 7.510 7.614 -0.104 1 1 1145 . 3 1 1 A 94 94 LYS HA H 94 3.770 4.078 -0.308 1 1 1154 . 3 1 1 A 94 94 LYS C C 94 176.650 177.987 -1.337 1 1 1155 . 3 1 1 A 94 94 LYS CA C 94 59.400 59.041 0.359 1 1 1156 . 3 1 1 A 94 94 LYS CB C 94 32.800 32.626 0.174 1 1 1160 . 3 1 1 A 94 94 LYS N N 94 124.250 125.559 -1.309 1 1 1161 . 3 1 1 A 95 95 ASP H H 95 8.190 7.495 0.695 1 1 1162 . 3 1 1 A 95 95 ASP HA H 95 4.430 4.590 -0.160 1 1 1165 . 3 1 1 A 95 95 ASP C C 95 177.580 177.584 -0.004 1 1 1166 . 3 1 1 A 95 95 ASP CA C 95 53.600 53.186 0.414 1 1 1167 . 3 1 1 A 95 95 ASP CB C 95 39.900 39.934 -0.034 1 1 1168 . 3 1 1 A 95 95 ASP N N 95 113.600 114.475 -0.875 1 1 1169 . 3 1 1 A 96 96 GLY H H 96 7.770 7.939 -0.169 1 1 1170 . 3 1 1 A 96 96 GLY HA2 H 96 3.750 3.862 -0.112 1 1 1171 . 3 1 1 A 96 96 GLY HA3 H 96 3.750 3.884 -0.134 1 1 1172 . 3 1 1 A 96 96 GLY C C 96 178.400 175.444 2.956 1 1 1173 . 3 1 1 A 96 96 GLY CA C 96 47.100 46.992 0.108 1 1 1174 . 3 1 1 A 96 96 GLY N N 96 108.900 109.101 -0.201 1 1 1175 . 3 1 1 A 97 97 ASN H H 97 8.270 8.057 0.213 1 1 1176 . 3 1 1 A 97 97 ASN HA H 97 4.520 4.755 -0.235 1 1 1181 . 3 1 1 A 97 97 ASN CA C 97 52.900 52.382 0.518 1 1 1182 . 3 1 1 A 97 97 ASN CB C 97 38.100 38.131 -0.031 1 1 1183 . 3 1 1 A 97 97 ASN N N 97 119.460 118.862 0.598 1 1 1185 . 3 1 1 A 98 98 GLY H H 98 10.660 9.234 1.426 1 1 1186 . 3 1 1 A 98 98 GLY HA2 H 98 3.330 3.530 -0.200 1 1 1187 . 3 1 1 A 98 98 GLY HA3 H 98 3.960 3.815 0.145 1 1 1188 . 3 1 1 A 98 98 GLY C C 98 178.360 172.601 5.759 1 1 1189 . 3 1 1 A 98 98 GLY CA C 98 45.800 45.242 0.558 1 1 1190 . 3 1 1 A 98 98 GLY N N 98 112.700 111.385 1.315 1 1 1191 . 3 1 1 A 99 99 TYR H H 99 7.570 8.769 -1.199 1 1 1192 . 3 1 1 A 99 99 TYR HA H 99 4.850 5.319 -0.469 1 1 1199 . 3 1 1 A 99 99 TYR C C 99 176.090 175.035 1.055 1 1 1200 . 3 1 1 A 99 99 TYR CA C 99 56.250 56.098 0.152 1 1 1201 . 3 1 1 A 99 99 TYR CB C 99 42.700 43.121 -0.421 1 1 1206 . 3 1 1 A 99 99 TYR N N 99 115.850 117.489 -1.639 1 1 1207 . 3 1 1 A 100 100 ILE H H 100 10.120 9.203 0.917 1 1 1208 . 3 1 1 A 100 100 ILE HA H 100 4.600 4.808 -0.208 1 1 1218 . 3 1 1 A 100 100 ILE C C 100 172.730 176.313 -3.583 1 1 1219 . 3 1 1 A 100 100 ILE CA C 100 61.500 60.574 0.926 1 1 1220 . 3 1 1 A 100 100 ILE CB C 100 39.300 39.134 0.166 1 1 1224 . 3 1 1 A 100 100 ILE N N 100 127.260 124.978 2.282 1 1 1225 . 3 1 1 A 101 101 SER H H 101 9.010 8.759 0.251 1 1 1226 . 3 1 1 A 101 101 SER HA H 101 4.820 4.900 -0.080 1 1 1229 . 3 1 1 A 101 101 SER C C 101 174.660 175.415 -0.755 1 1 1230 . 3 1 1 A 101 101 SER CA C 101 55.900 56.780 -0.880 1 1 1231 . 3 1 1 A 101 101 SER CB C 101 67.000 65.919 1.081 1 1 1232 . 3 1 1 A 101 101 SER N N 101 123.850 122.741 1.109 1 1 1233 . 3 1 1 A 102 102 ALA H H 102 9.240 9.058 0.182 1 1 1234 . 3 1 1 A 102 102 ALA HA H 102 3.830 4.078 -0.248 1 1 1238 . 3 1 1 A 102 102 ALA C C 102 175.840 179.863 -4.023 1 1 1239 . 3 1 1 A 102 102 ALA CA C 102 56.170 55.815 0.355 1 1 1240 . 3 1 1 A 102 102 ALA CB C 102 18.200 17.994 0.206 1 1 1241 . 3 1 1 A 102 102 ALA N N 102 122.650 124.804 -2.154 1 1 1242 . 3 1 1 A 103 103 ALA H H 103 8.180 8.169 0.011 1 1 1243 . 3 1 1 A 103 103 ALA HA H 103 3.980 3.989 -0.009 1 1 1247 . 3 1 1 A 103 103 ALA C C 103 175.260 180.236 -4.976 1 1 1248 . 3 1 1 A 103 103 ALA CA C 103 55.200 55.217 -0.017 1 1 1249 . 3 1 1 A 103 103 ALA CB C 103 18.500 18.682 -0.182 1 1 1250 . 3 1 1 A 103 103 ALA N N 103 118.250 119.517 -1.267 1 1 1251 . 3 1 1 A 104 104 GLU H H 104 7.860 7.539 0.321 1 1 1252 . 3 1 1 A 104 104 GLU HA H 104 3.890 3.924 -0.034 1 1 1257 . 3 1 1 A 104 104 GLU C C 104 179.350 179.065 0.285 1 1 1258 . 3 1 1 A 104 104 GLU CA C 104 59.800 59.423 0.377 1 1 1259 . 3 1 1 A 104 104 GLU CB C 104 29.500 29.723 -0.223 1 1 1261 . 3 1 1 A 104 104 GLU N N 104 120.200 118.037 2.163 1 1 1262 . 3 1 1 A 105 105 LEU H H 105 8.500 7.961 0.539 1 1 1263 . 3 1 1 A 105 105 LEU HA H 105 3.960 3.948 0.012 1 1 1273 . 3 1 1 A 105 105 LEU C C 105 179.190 178.842 0.348 1 1 1274 . 3 1 1 A 105 105 LEU CA C 105 58.400 57.878 0.522 1 1 1275 . 3 1 1 A 105 105 LEU CB C 105 42.600 41.670 0.930 1 1 1279 . 3 1 1 A 105 105 LEU N N 105 120.100 121.121 -1.021 1 1 1280 . 3 1 1 A 106 106 ARG H H 106 8.490 8.455 0.035 1 1 1281 . 3 1 1 A 106 106 ARG HA H 106 3.550 3.927 -0.377 1 1 1288 . 3 1 1 A 106 106 ARG C C 106 175.240 179.006 -3.766 1 1 1289 . 3 1 1 A 106 106 ARG CA C 106 60.300 59.748 0.552 1 1 1290 . 3 1 1 A 106 106 ARG CB C 106 30.400 29.844 0.556 1 1 1293 . 3 1 1 A 106 106 ARG N N 106 117.300 118.511 -1.211 1 1 1294 . 3 1 1 A 107 107 HIS H H 107 7.870 8.057 -0.187 1 1 1295 . 3 1 1 A 107 107 HIS HA H 107 4.120 4.183 -0.063 1 1 1300 . 3 1 1 A 107 107 HIS C C 107 176.690 177.171 -0.481 1 1 1301 . 3 1 1 A 107 107 HIS CA C 107 60.300 58.998 1.302 1 1 1302 . 3 1 1 A 107 107 HIS CB C 107 31.100 29.773 1.327 1 1 1304 . 3 1 1 A 107 107 HIS N N 107 120.000 120.219 -0.219 1 1 1306 . 3 1 1 A 108 108 VAL H H 108 8.190 8.925 -0.735 1 1 1307 . 3 1 1 A 108 108 VAL HA H 108 3.400 3.334 0.066 1 1 1315 . 3 1 1 A 108 108 VAL C C 108 178.430 177.810 0.620 1 1 1316 . 3 1 1 A 108 108 VAL CA C 108 66.500 66.401 0.099 1 1 1317 . 3 1 1 A 108 108 VAL CB C 108 31.800 31.084 0.716 1 1 1320 . 3 1 1 A 108 108 VAL N N 108 118.980 119.497 -0.517 1 1 1321 . 3 1 1 A 109 109 MET H H 109 8.180 8.163 0.017 1 1 1322 . 3 1 1 A 109 109 MET HA H 109 4.220 4.024 0.196 1 1 1330 . 3 1 1 A 109 109 MET C C 109 179.690 178.810 0.880 1 1 1331 . 3 1 1 A 109 109 MET CA C 109 57.300 58.773 -1.473 1 1 1332 . 3 1 1 A 109 109 MET CB C 109 29.700 32.347 -2.647 1 1 1335 . 3 1 1 A 109 109 MET N N 109 114.980 117.515 -2.535 1 1 1336 . 3 1 1 A 110 110 THR H H 110 8.220 7.911 0.309 1 1 1337 . 3 1 1 A 110 110 THR HA H 110 4.000 3.779 0.221 1 1 1342 . 3 1 1 A 110 110 THR C C 110 176.410 176.457 -0.047 1 1 1343 . 3 1 1 A 110 110 THR CA C 110 67.100 67.000 0.100 1 1 1344 . 3 1 1 A 110 110 THR CB C 110 68.500 67.739 0.761 1 1 1346 . 3 1 1 A 110 110 THR N N 110 116.970 115.069 1.901 1 1 1347 . 3 1 1 A 111 111 ASN H H 111 7.780 7.450 0.330 1 1 1348 . 3 1 1 A 111 111 ASN HA H 111 4.320 4.462 -0.142 1 1 1353 . 3 1 1 A 111 111 ASN CA C 111 55.800 56.059 -0.259 1 1 1354 . 3 1 1 A 111 111 ASN CB C 111 38.200 37.949 0.251 1 1 1355 . 3 1 1 A 111 111 ASN N N 111 122.350 119.625 2.725 1 1 1357 . 3 1 1 A 112 112 LEU H H 112 7.480 7.574 -0.094 1 1 1358 . 3 1 1 A 112 112 LEU HA H 112 4.210 4.259 -0.049 1 1 1368 . 3 1 1 A 112 112 LEU C C 112 178.710 176.969 1.741 1 1 1369 . 3 1 1 A 112 112 LEU CA C 112 55.100 55.323 -0.223 1 1 1370 . 3 1 1 A 112 112 LEU CB C 112 42.500 42.537 -0.037 1 1 1374 . 3 1 1 A 112 112 LEU N N 112 118.300 117.082 1.218 1 1 1375 . 3 1 1 A 113 113 GLY H H 113 7.740 7.949 -0.209 1 1 1376 . 3 1 1 A 113 113 GLY HA2 H 113 3.580 3.926 -0.346 1 1 1377 . 3 1 1 A 113 113 GLY HA3 H 113 4.140 3.936 0.204 1 1 1378 . 3 1 1 A 113 113 GLY C C 113 176.830 174.788 2.042 1 1 1379 . 3 1 1 A 113 113 GLY CA C 113 45.370 46.440 -1.070 1 1 1380 . 3 1 1 A 113 113 GLY N N 113 106.500 108.245 -1.745 1 1 1381 . 3 1 1 A 114 114 GLU H H 114 7.780 7.915 -0.135 1 1 1382 . 3 1 1 A 114 114 GLU HA H 114 4.240 4.215 0.025 1 1 1387 . 3 1 1 A 114 114 GLU C C 114 176.790 176.079 0.711 1 1 1388 . 3 1 1 A 114 114 GLU CA C 114 54.800 58.140 -3.340 1 1 1389 . 3 1 1 A 114 114 GLU CB C 114 29.900 30.106 -0.206 1 1 1391 . 3 1 1 A 114 114 GLU N N 114 119.300 121.485 -2.185 1 1 1392 . 3 1 1 A 115 115 LYS H H 115 8.540 7.840 0.700 1 1 1393 . 3 1 1 A 115 115 LYS HA H 115 4.270 3.774 0.496 1 1 1402 . 3 1 1 A 115 115 LYS C C 115 174.300 175.677 -1.377 1 1 1403 . 3 1 1 A 115 115 LYS CA C 115 55.500 57.093 -1.593 1 1 1404 . 3 1 1 A 115 115 LYS CB C 115 31.900 30.122 1.778 1 1 1408 . 3 1 1 A 115 115 LYS N N 115 125.000 118.293 6.707 1 1 1409 . 3 1 1 A 116 116 LEU H H 116 8.000 7.940 0.060 1 1 1410 . 3 1 1 A 116 116 LEU HA H 116 4.630 4.336 0.294 1 1 1420 . 3 1 1 A 116 116 LEU C C 116 175.060 177.857 -2.797 1 1 1421 . 3 1 1 A 116 116 LEU CA C 116 54.100 54.753 -0.653 1 1 1422 . 3 1 1 A 116 116 LEU CB C 116 44.100 42.590 1.510 1 1 1426 . 3 1 1 A 116 116 LEU N N 116 123.620 120.229 3.391 1 1 1427 . 3 1 1 A 117 117 THR H H 117 9.140 8.451 0.689 1 1 1428 . 3 1 1 A 117 117 THR HA H 117 4.340 4.631 -0.291 1 1 1433 . 3 1 1 A 117 117 THR C C 117 175.610 175.264 0.346 1 1 1434 . 3 1 1 A 117 117 THR CA C 117 60.500 60.646 -0.146 1 1 1435 . 3 1 1 A 117 117 THR CB C 117 71.100 71.421 -0.321 1 1 1437 . 3 1 1 A 117 117 THR N N 117 114.240 115.034 -0.794 1 1 1438 . 3 1 1 A 118 118 ASP H H 118 8.820 8.913 -0.093 1 1 1439 . 3 1 1 A 118 118 ASP HA H 118 4.100 4.226 -0.126 1 1 1442 . 3 1 1 A 118 118 ASP C C 118 178.610 177.932 0.678 1 1 1443 . 3 1 1 A 118 118 ASP CA C 118 58.000 58.039 -0.039 1 1 1444 . 3 1 1 A 118 118 ASP CB C 118 39.700 41.191 -1.491 1 1 1445 . 3 1 1 A 118 118 ASP N N 118 120.660 121.845 -1.185 1 1 1446 . 3 1 1 A 119 119 GLU H H 119 8.450 8.198 0.252 1 1 1447 . 3 1 1 A 119 119 GLU HA H 119 3.960 4.010 -0.050 1 1 1452 . 3 1 1 A 119 119 GLU C C 119 175.620 179.340 -3.720 1 1 1453 . 3 1 1 A 119 119 GLU CA C 119 59.800 59.596 0.204 1 1 1454 . 3 1 1 A 119 119 GLU CB C 119 29.400 29.196 0.204 1 1 1456 . 3 1 1 A 119 119 GLU N N 119 118.790 117.948 0.842 1 1 1457 . 3 1 1 A 120 120 GLU H H 120 7.570 7.697 -0.127 1 1 1458 . 3 1 1 A 120 120 GLU HA H 120 3.950 4.136 -0.186 1 1 1463 . 3 1 1 A 120 120 GLU C C 120 178.630 179.166 -0.536 1 1 1464 . 3 1 1 A 120 120 GLU CA C 120 59.600 58.767 0.833 1 1 1465 . 3 1 1 A 120 120 GLU CB C 120 29.400 29.134 0.266 1 1 1467 . 3 1 1 A 120 120 GLU N N 120 120.120 119.560 0.560 1 1 1468 . 3 1 1 A 121 121 VAL H H 121 7.750 8.110 -0.360 1 1 1469 . 3 1 1 A 121 121 VAL HA H 121 3.240 3.577 -0.337 1 1 1477 . 3 1 1 A 121 121 VAL C C 121 179.110 177.593 1.517 1 1 1478 . 3 1 1 A 121 121 VAL CA C 121 67.300 66.295 1.005 1 1 1479 . 3 1 1 A 121 121 VAL CB C 121 31.550 31.604 -0.054 1 1 1482 . 3 1 1 A 121 121 VAL N N 121 119.400 121.552 -2.152 1 1 1483 . 3 1 1 A 122 122 ASP H H 122 7.840 8.109 -0.269 1 1 1484 . 3 1 1 A 122 122 ASP HA H 122 4.260 4.388 -0.128 1 1 1487 . 3 1 1 A 122 122 ASP C C 122 178.890 179.380 -0.490 1 1 1488 . 3 1 1 A 122 122 ASP CA C 122 57.700 57.455 0.245 1 1 1489 . 3 1 1 A 122 122 ASP CB C 122 40.200 40.126 0.074 1 1 1490 . 3 1 1 A 122 122 ASP N N 122 118.550 119.917 -1.367 1 1 1491 . 3 1 1 A 123 123 GLU H H 123 8.110 7.821 0.289 1 1 1492 . 3 1 1 A 123 123 GLU HA H 123 3.880 4.081 -0.201 1 1 1497 . 3 1 1 A 123 123 GLU C C 123 177.710 179.333 -1.623 1 1 1498 . 3 1 1 A 123 123 GLU CA C 123 59.600 59.283 0.317 1 1 1499 . 3 1 1 A 123 123 GLU CB C 123 29.400 29.253 0.147 1 1 1501 . 3 1 1 A 123 123 GLU N N 123 119.670 120.394 -0.724 1 1 1502 . 3 1 1 A 124 124 MET H H 124 8.000 8.091 -0.091 1 1 1503 . 3 1 1 A 124 124 MET HA H 124 3.700 4.167 -0.467 1 1 1511 . 3 1 1 A 124 124 MET C C 124 179.020 178.880 0.140 1 1 1512 . 3 1 1 A 124 124 MET CA C 124 60.700 58.823 1.877 1 1 1513 . 3 1 1 A 124 124 MET CB C 124 33.200 33.011 0.189 1 1 1516 . 3 1 1 A 124 124 MET N N 124 118.100 119.343 -1.243 1 1 1517 . 3 1 1 A 125 125 ILE H H 125 8.220 7.857 0.363 1 1 1518 . 3 1 1 A 125 125 ILE HA H 125 3.610 3.622 -0.012 1 1 1528 . 3 1 1 A 125 125 ILE C C 125 179.410 177.933 1.477 1 1 1529 . 3 1 1 A 125 125 ILE CA C 125 64.200 64.964 -0.764 1 1 1530 . 3 1 1 A 125 125 ILE CB C 125 36.000 37.791 -1.791 1 1 1534 . 3 1 1 A 125 125 ILE N N 125 121.400 119.497 1.903 1 1 1535 . 3 1 1 A 126 126 ARG H H 126 8.510 7.984 0.526 1 1 1536 . 3 1 1 A 126 126 ARG HA H 126 3.930 3.911 0.019 1 1 1543 . 3 1 1 A 126 126 ARG C C 126 178.070 178.596 -0.526 1 1 1544 . 3 1 1 A 126 126 ARG CA C 126 59.500 59.714 -0.214 1 1 1545 . 3 1 1 A 126 126 ARG CB C 126 30.300 29.581 0.719 1 1 1548 . 3 1 1 A 126 126 ARG N N 126 117.650 120.120 -2.470 1 1 1549 . 3 1 1 A 127 127 GLU H H 127 7.820 8.299 -0.479 1 1 1550 . 3 1 1 A 127 127 GLU HA H 127 3.880 4.032 -0.152 1 1 1555 . 3 1 1 A 127 127 GLU C C 127 180.080 178.296 1.784 1 1 1556 . 3 1 1 A 127 127 GLU CA C 127 58.300 59.270 -0.970 1 1 1557 . 3 1 1 A 127 127 GLU CB C 127 29.800 29.349 0.451 1 1 1559 . 3 1 1 A 127 127 GLU N N 127 115.300 118.811 -3.511 1 1 1560 . 3 1 1 A 128 128 ALA H H 128 6.960 7.303 -0.343 1 1 1561 . 3 1 1 A 128 128 ALA HA H 128 4.340 4.344 -0.004 1 1 1565 . 3 1 1 A 128 128 ALA C C 128 181.640 177.151 4.489 1 1 1566 . 3 1 1 A 128 128 ALA CA C 128 51.700 52.251 -0.551 1 1 1567 . 3 1 1 A 128 128 ALA CB C 128 22.400 20.113 2.287 1 1 1568 . 3 1 1 A 128 128 ALA N N 128 115.890 121.142 -5.252 1 1 1569 . 3 1 1 A 129 129 ASP H H 129 8.210 7.816 0.394 1 1 1570 . 3 1 1 A 129 129 ASP HA H 129 4.360 4.583 -0.223 1 1 1573 . 3 1 1 A 129 129 ASP C C 129 176.420 176.559 -0.139 1 1 1574 . 3 1 1 A 129 129 ASP CA C 129 54.300 54.021 0.279 1 1 1575 . 3 1 1 A 129 129 ASP CB C 129 40.400 40.550 -0.150 1 1 1576 . 3 1 1 A 129 129 ASP N N 129 117.100 118.334 -1.234 1 1 1577 . 3 1 1 A 130 130 ILE H H 130 8.250 8.761 -0.511 1 1 1578 . 3 1 1 A 130 130 ILE HA H 130 3.800 4.134 -0.334 1 1 1588 . 3 1 1 A 130 130 ILE C C 130 177.960 175.245 2.715 1 1 1589 . 3 1 1 A 130 130 ILE CA C 130 63.500 62.903 0.597 1 1 1590 . 3 1 1 A 130 130 ILE CB C 130 38.500 38.524 -0.024 1 1 1594 . 3 1 1 A 130 130 ILE N N 130 127.900 126.894 1.006 1 1 1595 . 3 1 1 A 131 131 ASP H H 131 8.220 7.613 0.607 1 1 1596 . 3 1 1 A 131 131 ASP HA H 131 4.400 4.959 -0.559 1 1 1599 . 3 1 1 A 131 131 ASP C C 131 175.850 175.906 -0.056 1 1 1600 . 3 1 1 A 131 131 ASP CA C 131 53.800 52.361 1.439 1 1 1601 . 3 1 1 A 131 131 ASP CB C 131 39.900 44.040 -4.140 1 1 1602 . 3 1 1 A 131 131 ASP N N 131 116.250 117.735 -1.485 1 1 1603 . 3 1 1 A 132 132 GLY H H 132 7.520 9.062 -1.542 1 1 1604 . 3 1 1 A 132 132 GLY HA2 H 132 3.700 3.896 -0.196 1 1 1605 . 3 1 1 A 132 132 GLY HA3 H 132 3.900 3.899 0.001 1 1 1606 . 3 1 1 A 132 132 GLY C C 132 177.820 175.063 2.757 1 1 1607 . 3 1 1 A 132 132 GLY CA C 132 47.400 47.234 0.166 1 1 1608 . 3 1 1 A 132 132 GLY N N 132 108.170 108.092 0.078 1 1 1609 . 3 1 1 A 133 133 ASP H H 133 8.240 8.305 -0.065 1 1 1610 . 3 1 1 A 133 133 ASP HA H 133 4.360 4.547 -0.187 1 1 1613 . 3 1 1 A 133 133 ASP C C 133 178.290 177.559 0.731 1 1 1614 . 3 1 1 A 133 133 ASP CA C 133 53.800 53.488 0.312 1 1 1615 . 3 1 1 A 133 133 ASP CB C 133 40.300 40.291 0.009 1 1 1616 . 3 1 1 A 133 133 ASP N N 133 120.370 120.257 0.113 1 1 1617 . 3 1 1 A 134 134 GLY H H 134 10.140 9.470 0.670 1 1 1618 . 3 1 1 A 134 134 GLY HA2 H 134 3.300 3.832 -0.532 1 1 1619 . 3 1 1 A 134 134 GLY HA3 H 134 3.930 3.841 0.089 1 1 1620 . 3 1 1 A 134 134 GLY C C 134 175.350 173.232 2.118 1 1 1621 . 3 1 1 A 134 134 GLY CA C 134 45.900 45.627 0.273 1 1 1622 . 3 1 1 A 134 134 GLY N N 134 112.150 111.315 0.835 1 1 1623 . 3 1 1 A 135 135 GLN H H 135 7.910 8.155 -0.245 1 1 1624 . 3 1 1 A 135 135 GLN HA H 135 4.870 4.983 -0.113 1 1 1631 . 3 1 1 A 135 135 GLN C C 135 177.620 174.498 3.122 1 1 1632 . 3 1 1 A 135 135 GLN CA C 135 53.300 53.634 -0.334 1 1 1633 . 3 1 1 A 135 135 GLN CB C 135 33.000 32.605 0.395 1 1 1635 . 3 1 1 A 135 135 GLN N N 135 114.700 118.431 -3.731 1 1 1637 . 3 1 1 A 136 136 VAL H H 136 9.070 8.887 0.183 1 1 1638 . 3 1 1 A 136 136 VAL HA H 136 5.110 5.109 0.001 1 1 1646 . 3 1 1 A 136 136 VAL C C 136 172.750 175.802 -3.052 1 1 1647 . 3 1 1 A 136 136 VAL CA C 136 61.800 61.717 0.083 1 1 1648 . 3 1 1 A 136 136 VAL CB C 136 34.100 33.063 1.037 1 1 1651 . 3 1 1 A 136 136 VAL N N 136 124.900 122.439 2.461 1 1 1652 . 3 1 1 A 137 137 ASN H H 137 9.450 9.053 0.397 1 1 1653 . 3 1 1 A 137 137 ASN HA H 137 5.240 5.301 -0.061 1 1 1658 . 3 1 1 A 137 137 ASN CA C 137 51.400 52.843 -1.443 1 1 1659 . 3 1 1 A 137 137 ASN CB C 137 40.000 39.671 0.329 1 1 1660 . 3 1 1 A 137 137 ASN N N 137 128.840 126.080 2.760 1 1 1662 . 3 1 1 A 138 138 TYR H H 138 8.330 8.990 -0.660 1 1 1663 . 3 1 1 A 138 138 TYR HA H 138 3.240 4.251 -1.011 1 1 1670 . 3 1 1 A 138 138 TYR C C 138 180.030 177.551 2.479 1 1 1671 . 3 1 1 A 138 138 TYR CA C 138 62.400 62.352 0.048 1 1 1672 . 3 1 1 A 138 138 TYR CB C 138 38.000 38.507 -0.507 1 1 1677 . 3 1 1 A 138 138 TYR N N 138 118.150 123.665 -5.515 1 1 1678 . 3 1 1 A 139 139 GLU H H 139 7.990 8.494 -0.504 1 1 1679 . 3 1 1 A 139 139 GLU HA H 139 3.520 3.918 -0.398 1 1 1684 . 3 1 1 A 139 139 GLU C C 139 179.170 179.040 0.130 1 1 1685 . 3 1 1 A 139 139 GLU CA C 139 60.550 60.170 0.380 1 1 1686 . 3 1 1 A 139 139 GLU CB C 139 29.100 29.662 -0.562 1 1 1688 . 3 1 1 A 139 139 GLU N N 139 118.100 119.880 -1.780 1 1 1689 . 3 1 1 A 140 140 GLU H H 140 8.640 8.144 0.496 1 1 1690 . 3 1 1 A 140 140 GLU HA H 140 3.780 4.072 -0.292 1 1 1695 . 3 1 1 A 140 140 GLU C C 140 181.440 179.010 2.430 1 1 1696 . 3 1 1 A 140 140 GLU CA C 140 58.800 59.135 -0.335 1 1 1697 . 3 1 1 A 140 140 GLU CB C 140 29.200 29.666 -0.466 1 1 1699 . 3 1 1 A 140 140 GLU N N 140 119.300 119.438 -0.138 1 1 1700 . 3 1 1 A 141 141 PHE H H 141 8.470 8.089 0.381 1 1 1701 . 3 1 1 A 141 141 PHE HA H 141 3.380 3.848 -0.468 1 1 1709 . 3 1 1 A 141 141 PHE C C 141 178.980 176.718 2.262 1 1 1710 . 3 1 1 A 141 141 PHE CA C 141 61.900 61.368 0.532 1 1 1711 . 3 1 1 A 141 141 PHE CB C 141 40.200 39.299 0.901 1 1 1717 . 3 1 1 A 141 141 PHE N N 141 123.640 121.744 1.896 1 1 1718 . 3 1 1 A 142 142 VAL H H 142 8.510 8.083 0.427 1 1 1719 . 3 1 1 A 142 142 VAL HA H 142 3.000 3.351 -0.351 1 1 1727 . 3 1 1 A 142 142 VAL C C 142 176.540 177.638 -1.098 1 1 1728 . 3 1 1 A 142 142 VAL CA C 142 66.900 66.382 0.518 1 1 1729 . 3 1 1 A 142 142 VAL CB C 142 31.450 31.380 0.070 1 1 1732 . 3 1 1 A 142 142 VAL N N 142 118.330 118.908 -0.578 1 1 1733 . 3 1 1 A 143 143 GLN H H 143 7.520 8.120 -0.600 1 1 1734 . 3 1 1 A 143 143 GLN HA H 143 3.750 3.921 -0.171 1 1 1741 . 3 1 1 A 143 143 GLN C C 143 176.630 178.212 -1.582 1 1 1742 . 3 1 1 A 143 143 GLN CA C 143 58.900 59.238 -0.338 1 1 1743 . 3 1 1 A 143 143 GLN CB C 143 28.200 28.053 0.147 1 1 1745 . 3 1 1 A 143 143 GLN N N 143 118.100 119.430 -1.330 1 1 1747 . 3 1 1 A 144 144 MET H H 144 7.250 7.779 -0.529 1 1 1748 . 3 1 1 A 144 144 MET HA H 144 4.090 4.211 -0.121 1 1 1756 . 3 1 1 A 144 144 MET C C 144 179.340 178.676 0.664 1 1 1757 . 3 1 1 A 144 144 MET CA C 144 56.750 57.801 -1.051 1 1 1758 . 3 1 1 A 144 144 MET CB C 144 30.800 32.279 -1.479 1 1 1761 . 3 1 1 A 144 144 MET N N 144 117.300 117.837 -0.537 1 1 1762 . 3 1 1 A 145 145 MET H H 145 7.460 7.837 -0.377 1 1 1763 . 3 1 1 A 145 145 MET HA H 145 3.900 3.980 -0.080 1 1 1771 . 3 1 1 A 145 145 MET C C 145 178.110 177.482 0.628 1 1 1772 . 3 1 1 A 145 145 MET CA C 145 56.800 57.850 -1.050 1 1 1773 . 3 1 1 A 145 145 MET CB C 145 31.800 33.637 -1.837 1 1 1776 . 3 1 1 A 145 145 MET N N 145 114.350 118.718 -4.368 1 1 1777 . 3 1 1 A 146 146 THR H H 146 7.560 7.928 -0.368 1 1 1778 . 3 1 1 A 146 146 THR HA H 146 4.220 4.414 -0.194 1 1 1783 . 3 1 1 A 146 146 THR C C 146 177.440 173.992 3.448 1 1 1784 . 3 1 1 A 146 146 THR CA C 146 62.650 61.230 1.420 1 1 1785 . 3 1 1 A 146 146 THR CB C 146 69.700 69.038 0.662 1 1 1787 . 3 1 1 A 146 146 THR N N 146 109.350 107.550 1.800 1 1 1788 . 3 1 1 A 147 147 ALA H H 147 7.420 7.256 0.164 1 1 1789 . 3 1 1 A 147 147 ALA HA H 147 4.170 4.307 -0.137 1 1 1793 . 3 1 1 A 147 147 ALA C C 147 177.480 176.316 1.164 1 1 1794 . 3 1 1 A 147 147 ALA CA C 147 52.900 51.677 1.223 1 1 1795 . 3 1 1 A 147 147 ALA CB C 147 19.200 17.684 1.516 1 1 1796 . 3 1 1 A 147 147 ALA N N 147 125.650 125.099 0.551 1 1 1814 . 3 2 2 B 1 1 ARG H H 1088 8.270 8.985 -0.715 1 1 1815 . 3 2 2 B 1 1 ARG HA H 1088 3.860 4.038 -0.178 1 1 1822 . 3 2 2 B 1 1 ARG CA C 1088 59.900 56.983 2.917 1 1 1823 . 3 2 2 B 1 1 ARG CB C 1088 29.900 29.360 0.540 1 1 1826 . 3 2 2 B 1 1 ARG N N 1088 117.300 123.115 -5.815 1 1 1827 . 3 2 2 B 2 2 GLY H H 1089 9.370 7.865 1.505 1 1 1828 . 3 2 2 B 2 2 GLY HA2 H 1089 3.520 3.998 -0.478 1 1 1829 . 3 2 2 B 2 2 GLY HA3 H 1089 3.730 4.018 -0.288 1 1 1830 . 3 2 2 B 2 2 GLY C C 1089 176.650 175.580 1.070 1 1 1831 . 3 2 2 B 2 2 GLY CA C 1089 47.200 46.516 0.684 1 1 1832 . 3 2 2 B 2 2 GLY N N 1089 105.000 108.398 -3.398 1 1 1833 . 3 2 2 B 3 3 GLN H H 1090 6.980 7.852 -0.872 1 1 1834 . 3 2 2 B 3 3 GLN HA H 1090 3.830 4.130 -0.300 1 1 1841 . 3 2 2 B 3 3 GLN C C 1090 177.680 178.678 -0.998 1 1 1842 . 3 2 2 B 3 3 GLN CA C 1090 59.100 58.705 0.395 1 1 1843 . 3 2 2 B 3 3 GLN CB C 1090 29.800 28.309 1.491 1 1 1845 . 3 2 2 B 3 3 GLN N N 1090 117.350 119.743 -2.393 1 1 1847 . 3 2 2 B 4 4 ILE H H 1091 7.760 7.790 -0.030 1 1 1848 . 3 2 2 B 4 4 ILE HA H 1091 3.480 3.683 -0.203 1 1 1858 . 3 2 2 B 4 4 ILE C C 1091 175.070 178.358 -3.288 1 1 1859 . 3 2 2 B 4 4 ILE CA C 1091 65.600 65.947 -0.347 1 1 1860 . 3 2 2 B 4 4 ILE CB C 1091 38.000 38.267 -0.267 1 1 1864 . 3 2 2 B 4 4 ILE N N 1091 119.650 121.187 -1.537 1 1 1865 . 3 2 2 B 5 5 LEU H H 1092 7.830 8.312 -0.482 1 1 1866 . 3 2 2 B 5 5 LEU HA H 1092 3.820 3.907 -0.087 1 1 1876 . 3 2 2 B 5 5 LEU C C 1092 176.220 179.003 -2.783 1 1 1877 . 3 2 2 B 5 5 LEU CA C 1092 58.250 58.386 -0.136 1 1 1878 . 3 2 2 B 5 5 LEU CB C 1092 41.700 42.169 -0.469 1 1 1882 . 3 2 2 B 5 5 LEU N N 1092 119.200 118.835 0.365 1 1 1883 . 3 2 2 B 6 6 TRP H H 1093 7.650 8.298 -0.648 1 1 1884 . 3 2 2 B 6 6 TRP HA H 1093 4.120 4.324 -0.204 1 1 1893 . 3 2 2 B 6 6 TRP C C 1093 178.490 179.187 -0.697 1 1 1894 . 3 2 2 B 6 6 TRP CA C 1093 61.100 60.236 0.864 1 1 1895 . 3 2 2 B 6 6 TRP CB C 1093 30.000 29.371 0.629 1 1 1901 . 3 2 2 B 6 6 TRP N N 1093 119.200 118.597 0.603 1 1 1903 . 3 2 2 B 7 7 PHE H H 1094 8.400 8.495 -0.095 1 1 1904 . 3 2 2 B 7 7 PHE HA H 1094 4.390 4.220 0.170 1 1 1912 . 3 2 2 B 7 7 PHE C C 1094 178.840 177.381 1.459 1 1 1913 . 3 2 2 B 7 7 PHE CA C 1094 59.700 61.521 -1.821 1 1 1914 . 3 2 2 B 7 7 PHE CB C 1094 37.000 39.243 -2.243 1 1 1919 . 3 2 2 B 7 7 PHE N N 1094 117.800 119.705 -1.905 1 1 1920 . 3 2 2 B 8 8 ARG H H 1095 8.360 8.241 0.119 1 1 1921 . 3 2 2 B 8 8 ARG HA H 1095 4.140 4.136 0.004 1 1 1928 . 3 2 2 B 8 8 ARG C C 1095 178.290 179.034 -0.744 1 1 1929 . 3 2 2 B 8 8 ARG CA C 1095 59.600 59.767 -0.167 1 1 1930 . 3 2 2 B 8 8 ARG CB C 1095 30.500 30.181 0.319 1 1 1933 . 3 2 2 B 8 8 ARG N N 1095 120.800 117.703 3.097 1 1 1934 . 3 2 2 B 9 9 GLY H H 1096 8.330 8.250 0.080 1 1 1935 . 3 2 2 B 9 9 GLY HA2 H 1096 3.560 3.597 -0.037 1 1 1936 . 3 2 2 B 9 9 GLY HA3 H 1096 3.720 3.622 0.098 1 1 1937 . 3 2 2 B 9 9 GLY C C 1096 178.010 175.564 2.446 1 1 1938 . 3 2 2 B 9 9 GLY CA C 1096 47.200 47.269 -0.069 1 1 1939 . 3 2 2 B 9 9 GLY N N 1096 106.400 107.162 -0.762 1 1 1940 . 3 2 2 B 10 10 LEU H H 1097 9.090 8.136 0.954 1 1 1941 . 3 2 2 B 10 10 LEU HA H 1097 4.150 3.891 0.259 1 1 1951 . 3 2 2 B 10 10 LEU C C 1097 178.820 178.337 0.483 1 1 1952 . 3 2 2 B 10 10 LEU CA C 1097 58.500 57.181 1.319 1 1 1953 . 3 2 2 B 10 10 LEU CB C 1097 41.600 40.993 0.607 1 1 1957 . 3 2 2 B 10 10 LEU N N 1097 120.900 122.570 -1.670 1 1 1958 . 3 2 2 B 11 11 ASN H H 1098 8.380 7.810 0.570 1 1 1959 . 3 2 2 B 11 11 ASN HA H 1098 4.440 4.160 0.280 1 1 1964 . 3 2 2 B 11 11 ASN CA C 1098 56.700 56.784 -0.084 1 1 1965 . 3 2 2 B 11 11 ASN CB C 1098 38.700 39.582 -0.882 1 1 1966 . 3 2 2 B 11 11 ASN N N 1098 116.900 116.832 0.068 1 1 1968 . 3 2 2 B 12 12 ARG H H 1099 7.900 7.556 0.344 1 1 1969 . 3 2 2 B 12 12 ARG HA H 1099 3.980 4.074 -0.094 1 1 1976 . 3 2 2 B 12 12 ARG C C 1099 178.360 178.317 0.043 1 1 1977 . 3 2 2 B 12 12 ARG CA C 1099 60.200 59.090 1.110 1 1 1978 . 3 2 2 B 12 12 ARG CB C 1099 32.600 29.974 2.626 1 1 1981 . 3 2 2 B 12 12 ARG N N 1099 120.100 118.312 1.788 1 1 1982 . 3 2 2 B 13 13 ILE H H 1100 8.230 8.054 0.176 1 1 1983 . 3 2 2 B 13 13 ILE HA H 1100 3.840 3.630 0.210 1 1 1993 . 3 2 2 B 13 13 ILE C C 1100 178.110 177.902 0.208 1 1 1994 . 3 2 2 B 13 13 ILE CA C 1100 63.800 65.386 -1.586 1 1 1995 . 3 2 2 B 13 13 ILE CB C 1100 37.300 37.459 -0.159 1 1 1999 . 3 2 2 B 13 13 ILE N N 1100 120.350 120.923 -0.573 1 1 2000 . 3 2 2 B 14 14 GLN H H 1101 8.830 7.796 1.034 1 1 2001 . 3 2 2 B 14 14 GLN HA H 1101 3.990 3.957 0.033 1 1 2008 . 3 2 2 B 14 14 GLN C C 1101 177.860 178.744 -0.884 1 1 2009 . 3 2 2 B 14 14 GLN CA C 1101 60.000 59.133 0.867 1 1 2010 . 3 2 2 B 14 14 GLN CB C 1101 28.800 28.120 0.680 1 1 2012 . 3 2 2 B 14 14 GLN N N 1101 118.700 118.089 0.611 1 1 2014 . 3 2 2 B 15 15 THR H H 1102 8.140 8.132 0.008 1 1 2015 . 3 2 2 B 15 15 THR HA H 1102 3.890 3.783 0.107 1 1 2020 . 3 2 2 B 15 15 THR C C 1102 177.470 176.458 1.012 1 1 2021 . 3 2 2 B 15 15 THR CA C 1102 67.400 67.622 -0.222 1 1 2022 . 3 2 2 B 15 15 THR CB C 1102 70.300 68.457 1.843 1 1 2024 . 3 2 2 B 15 15 THR N N 1102 117.500 117.326 0.174 1 1 2025 . 3 2 2 B 16 16 GLN H H 1103 8.320 8.309 0.011 1 1 2026 . 3 2 2 B 16 16 GLN HA H 1103 4.100 3.936 0.164 1 1 2033 . 3 2 2 B 16 16 GLN C C 1103 178.890 178.633 0.257 1 1 2034 . 3 2 2 B 16 16 GLN CA C 1103 60.600 59.243 1.357 1 1 2035 . 3 2 2 B 16 16 GLN CB C 1103 30.500 28.462 2.038 1 1 2037 . 3 2 2 B 16 16 GLN N N 1103 120.650 119.139 1.511 1 1 2039 . 3 2 2 B 17 17 ILE H H 1104 8.690 7.453 1.237 1 1 2040 . 3 2 2 B 17 17 ILE HA H 1104 3.470 3.977 -0.507 1 1 2050 . 3 2 2 B 17 17 ILE C C 1104 175.230 177.965 -2.735 1 1 2051 . 3 2 2 B 17 17 ILE CA C 1104 66.150 62.220 3.930 1 1 2052 . 3 2 2 B 17 17 ILE CB C 1104 38.300 37.964 0.336 1 1 2056 . 3 2 2 B 17 17 ILE N N 1104 119.400 120.004 -0.604 1 1 2057 . 3 2 2 B 18 18 LYS H H 1105 7.950 8.914 -0.964 1 1 2058 . 3 2 2 B 18 18 LYS HA H 1105 3.900 3.984 -0.084 1 1 2067 . 3 2 2 B 18 18 LYS C C 1105 177.660 178.601 -0.941 1 1 2068 . 3 2 2 B 18 18 LYS CA C 1105 60.050 59.808 0.242 1 1 2069 . 3 2 2 B 18 18 LYS CB C 1105 32.700 32.145 0.555 1 1 2073 . 3 2 2 B 18 18 LYS N N 1105 120.280 123.493 -3.213 1 1 2074 . 3 2 2 B 19 19 VAL H H 1106 8.280 7.638 0.642 1 1 2075 . 3 2 2 B 19 19 VAL HA H 1106 3.430 3.805 -0.375 1 1 2083 . 3 2 2 B 19 19 VAL C C 1106 177.660 178.350 -0.690 1 1 2084 . 3 2 2 B 19 19 VAL CA C 1106 65.900 66.616 -0.716 1 1 2085 . 3 2 2 B 19 19 VAL CB C 1106 31.400 31.799 -0.399 1 1 2088 . 3 2 2 B 19 19 VAL N N 1106 120.660 119.418 1.242 1 1 2089 . 3 2 2 B 20 20 VAL H H 1107 8.420 8.025 0.395 1 1 2090 . 3 2 2 B 20 20 VAL HA H 1107 3.580 3.886 -0.306 1 1 2098 . 3 2 2 B 20 20 VAL C C 1107 178.930 178.319 0.611 1 1 2099 . 3 2 2 B 20 20 VAL CA C 1107 68.390 65.981 2.409 1 1 2100 . 3 2 2 B 20 20 VAL CB C 1107 31.200 31.453 -0.253 1 1 2103 . 3 2 2 B 20 20 VAL N N 1107 119.990 116.469 3.521 1 1 2104 . 3 2 2 B 21 21 LYS H H 1108 8.300 8.162 0.138 1 1 2105 . 3 2 2 B 21 21 LYS HA H 1108 4.050 4.105 -0.055 1 1 2114 . 3 2 2 B 21 21 LYS C C 1108 177.230 178.890 -1.660 1 1 2115 . 3 2 2 B 21 21 LYS CA C 1108 59.980 59.761 0.219 1 1 2116 . 3 2 2 B 21 21 LYS CB C 1108 32.400 32.188 0.212 1 1 2120 . 3 2 2 B 21 21 LYS N N 1108 119.290 122.143 -2.853 1 1 2121 . 3 2 2 B 22 22 ALA H H 1109 7.690 8.052 -0.362 1 1 2122 . 3 2 2 B 22 22 ALA HA H 1109 3.900 4.187 -0.287 1 1 2126 . 3 2 2 B 22 22 ALA C C 1109 178.200 179.748 -1.548 1 1 2127 . 3 2 2 B 22 22 ALA CA C 1109 54.950 55.114 -0.164 1 1 2128 . 3 2 2 B 22 22 ALA CB C 1109 22.000 18.658 3.342 1 1 2129 . 3 2 2 B 22 22 ALA N N 1109 123.910 122.322 1.588 1 1 2130 . 3 2 2 B 23 23 PHE H H 1110 7.920 8.277 -0.357 1 1 2131 . 3 2 2 B 23 23 PHE HA H 1110 4.120 4.236 -0.116 1 1 2139 . 3 2 2 B 23 23 PHE C C 1110 178.840 178.345 0.495 1 1 2140 . 3 2 2 B 23 23 PHE CA C 1110 61.260 60.647 0.613 1 1 2141 . 3 2 2 B 23 23 PHE CB C 1110 40.200 38.904 1.296 1 1 2147 . 3 2 2 B 23 23 PHE N N 1110 118.200 115.605 2.595 1 1 2148 . 3 2 2 B 24 24 HIS H H 1111 7.960 7.581 0.379 1 1 2149 . 3 2 2 B 24 24 HIS HA H 1111 4.530 4.374 0.156 1 1 2155 . 3 2 2 B 24 24 HIS C C 1111 178.710 175.169 3.541 1 1 2156 . 3 2 2 B 24 24 HIS CA C 1111 57.200 60.102 -2.902 1 1 2157 . 3 2 2 B 24 24 HIS CB C 1111 30.200 29.858 0.342 1 1 2160 . 3 2 2 B 24 24 HIS N N 1111 117.760 117.558 0.202 1 1 2162 . 3 2 2 B 25 25 SER H H 1112 7.980 8.607 -0.627 1 1 2163 . 3 2 2 B 25 25 SER HA H 1112 4.340 4.021 0.319 1 1 2166 . 3 2 2 B 25 25 SER C C 1112 177.230 173.547 3.683 1 1 2167 . 3 2 2 B 25 25 SER CA C 1112 58.570 59.245 -0.675 1 1 2168 . 3 2 2 B 25 25 SER CB C 1112 63.800 61.882 1.918 1 1 2169 . 3 2 2 B 25 25 SER N N 1112 116.970 114.518 2.452 1 1 9 . 4 1 1 A 2 2 ASP H H 2 8.220 8.604 -0.384 1 1 10 . 4 1 1 A 2 2 ASP HA H 2 4.500 4.658 -0.158 1 1 13 . 4 1 1 A 2 2 ASP CA C 2 54.750 55.675 -0.925 1 1 14 . 4 1 1 A 2 2 ASP CB C 2 41.350 40.914 0.436 1 1 15 . 4 1 1 A 2 2 ASP N N 2 121.760 120.742 1.018 1 1 16 . 4 1 1 A 3 3 GLN H H 3 8.320 7.619 0.701 1 1 17 . 4 1 1 A 3 3 GLN HA H 3 4.240 4.500 -0.260 1 1 24 . 4 1 1 A 3 3 GLN CA C 3 55.750 54.557 1.193 1 1 25 . 4 1 1 A 3 3 GLN CB C 3 29.700 27.977 1.723 1 1 27 . 4 1 1 A 3 3 GLN N N 3 119.800 118.924 0.876 1 1 29 . 4 1 1 A 4 4 LEU H H 4 8.250 8.423 -0.173 1 1 30 . 4 1 1 A 4 4 LEU HA H 4 4.540 4.510 0.030 1 1 40 . 4 1 1 A 4 4 LEU C C 4 175.740 176.650 -0.910 1 1 41 . 4 1 1 A 4 4 LEU CA C 4 54.600 54.301 0.299 1 1 42 . 4 1 1 A 4 4 LEU CB C 4 43.600 43.294 0.306 1 1 46 . 4 1 1 A 4 4 LEU N N 4 123.100 125.420 -2.320 1 1 47 . 4 1 1 A 5 5 THR H H 5 8.680 7.549 1.131 1 1 48 . 4 1 1 A 5 5 THR HA H 5 4.350 4.274 0.076 1 1 53 . 4 1 1 A 5 5 THR C C 5 175.750 175.154 0.596 1 1 54 . 4 1 1 A 5 5 THR CA C 5 60.500 61.115 -0.615 1 1 55 . 4 1 1 A 5 5 THR CB C 5 71.100 70.123 0.977 1 1 57 . 4 1 1 A 5 5 THR N N 5 112.700 111.442 1.258 1 1 58 . 4 1 1 A 6 6 GLU H H 6 8.950 8.972 -0.022 1 1 59 . 4 1 1 A 6 6 GLU HA H 6 3.880 3.882 -0.002 1 1 64 . 4 1 1 A 6 6 GLU C C 6 177.790 178.379 -0.589 1 1 65 . 4 1 1 A 6 6 GLU CA C 6 60.200 59.965 0.235 1 1 66 . 4 1 1 A 6 6 GLU CB C 6 29.300 29.485 -0.185 1 1 68 . 4 1 1 A 6 6 GLU N N 6 119.950 123.562 -3.612 1 1 69 . 4 1 1 A 7 7 GLU H H 7 8.660 8.090 0.570 1 1 70 . 4 1 1 A 7 7 GLU HA H 7 3.940 3.984 -0.044 1 1 75 . 4 1 1 A 7 7 GLU C C 7 175.460 179.034 -3.574 1 1 76 . 4 1 1 A 7 7 GLU CA C 7 60.200 59.712 0.488 1 1 77 . 4 1 1 A 7 7 GLU CB C 7 29.100 29.364 -0.264 1 1 79 . 4 1 1 A 7 7 GLU N N 7 119.250 119.035 0.215 1 1 80 . 4 1 1 A 8 8 GLN H H 8 7.670 7.576 0.094 1 1 81 . 4 1 1 A 8 8 GLN HA H 8 3.760 4.185 -0.425 1 1 88 . 4 1 1 A 8 8 GLN C C 8 179.600 178.567 1.033 1 1 89 . 4 1 1 A 8 8 GLN CA C 8 58.800 58.540 0.260 1 1 90 . 4 1 1 A 8 8 GLN CB C 8 29.300 28.192 1.108 1 1 92 . 4 1 1 A 8 8 GLN N N 8 120.000 119.148 0.852 1 1 94 . 4 1 1 A 9 9 ILE H H 9 8.280 8.872 -0.592 1 1 95 . 4 1 1 A 9 9 ILE HA H 9 3.580 3.711 -0.131 1 1 105 . 4 1 1 A 9 9 ILE C C 9 179.270 177.880 1.390 1 1 106 . 4 1 1 A 9 9 ILE CA C 9 66.400 65.646 0.754 1 1 107 . 4 1 1 A 9 9 ILE CB C 9 38.100 37.963 0.137 1 1 111 . 4 1 1 A 9 9 ILE N N 9 119.400 119.906 -0.506 1 1 112 . 4 1 1 A 10 10 ALA H H 10 7.950 8.064 -0.114 1 1 113 . 4 1 1 A 10 10 ALA HA H 10 4.020 4.022 -0.002 1 1 117 . 4 1 1 A 10 10 ALA C C 10 178.490 180.069 -1.579 1 1 118 . 4 1 1 A 10 10 ALA CA C 10 55.400 55.859 -0.459 1 1 119 . 4 1 1 A 10 10 ALA CB C 10 17.950 18.306 -0.356 1 1 120 . 4 1 1 A 10 10 ALA N N 10 121.000 122.306 -1.306 1 1 121 . 4 1 1 A 11 11 GLU H H 11 7.730 7.934 -0.204 1 1 122 . 4 1 1 A 11 11 GLU HA H 11 4.030 4.091 -0.061 1 1 127 . 4 1 1 A 11 11 GLU C C 11 177.860 179.632 -1.772 1 1 128 . 4 1 1 A 11 11 GLU CA C 11 59.500 59.384 0.116 1 1 129 . 4 1 1 A 11 11 GLU CB C 11 29.500 29.865 -0.365 1 1 131 . 4 1 1 A 11 11 GLU N N 11 119.700 118.286 1.414 1 1 132 . 4 1 1 A 12 12 PHE H H 12 8.470 8.492 -0.022 1 1 133 . 4 1 1 A 12 12 PHE HA H 12 4.910 4.290 0.620 1 1 141 . 4 1 1 A 12 12 PHE C C 12 181.140 178.077 3.063 1 1 142 . 4 1 1 A 12 12 PHE CA C 12 59.200 61.331 -2.131 1 1 143 . 4 1 1 A 12 12 PHE CB C 12 37.700 38.578 -0.878 1 1 149 . 4 1 1 A 12 12 PHE N N 12 119.900 119.477 0.423 1 1 150 . 4 1 1 A 13 13 LYS H H 13 9.180 8.603 0.577 1 1 151 . 4 1 1 A 13 13 LYS HA H 13 3.860 3.780 0.080 1 1 160 . 4 1 1 A 13 13 LYS C C 13 180.730 178.601 2.129 1 1 161 . 4 1 1 A 13 13 LYS CA C 13 60.300 60.004 0.296 1 1 162 . 4 1 1 A 13 13 LYS CB C 13 31.900 32.671 -0.771 1 1 166 . 4 1 1 A 13 13 LYS N N 13 124.000 120.419 3.581 1 1 167 . 4 1 1 A 14 14 GLU H H 14 7.770 8.044 -0.274 1 1 168 . 4 1 1 A 14 14 GLU HA H 14 4.050 4.019 0.031 1 1 173 . 4 1 1 A 14 14 GLU C C 14 178.750 179.057 -0.307 1 1 174 . 4 1 1 A 14 14 GLU CA C 14 59.300 59.483 -0.183 1 1 175 . 4 1 1 A 14 14 GLU CB C 14 29.300 29.374 -0.074 1 1 177 . 4 1 1 A 14 14 GLU N N 14 120.060 118.611 1.449 1 1 178 . 4 1 1 A 15 15 ALA H H 15 8.020 7.509 0.511 1 1 179 . 4 1 1 A 15 15 ALA HA H 15 4.110 4.097 0.013 1 1 183 . 4 1 1 A 15 15 ALA C C 15 179.220 179.808 -0.588 1 1 184 . 4 1 1 A 15 15 ALA CA C 15 55.900 54.839 1.061 1 1 185 . 4 1 1 A 15 15 ALA CB C 15 18.430 17.848 0.582 1 1 186 . 4 1 1 A 15 15 ALA N N 15 121.660 122.700 -1.040 1 1 187 . 4 1 1 A 16 16 PHE H H 16 8.700 7.964 0.736 1 1 188 . 4 1 1 A 16 16 PHE HA H 16 3.190 3.576 -0.386 1 1 196 . 4 1 1 A 16 16 PHE C C 16 176.350 177.750 -1.400 1 1 197 . 4 1 1 A 16 16 PHE CA C 16 62.300 59.470 2.830 1 1 198 . 4 1 1 A 16 16 PHE CB C 16 39.800 37.855 1.945 1 1 204 . 4 1 1 A 16 16 PHE N N 16 118.400 116.298 2.102 1 1 205 . 4 1 1 A 17 17 SER H H 17 8.040 7.880 0.160 1 1 206 . 4 1 1 A 17 17 SER HA H 17 4.110 4.165 -0.055 1 1 209 . 4 1 1 A 17 17 SER C C 17 178.820 176.563 2.257 1 1 210 . 4 1 1 A 17 17 SER CA C 17 61.600 60.647 0.953 1 1 211 . 4 1 1 A 17 17 SER CB C 17 63.200 63.253 -0.053 1 1 212 . 4 1 1 A 17 17 SER N N 17 114.290 114.793 -0.503 1 1 213 . 4 1 1 A 18 18 LEU H H 18 7.440 7.702 -0.262 1 1 214 . 4 1 1 A 18 18 LEU HA H 18 3.970 3.952 0.018 1 1 224 . 4 1 1 A 18 18 LEU C C 18 178.630 178.262 0.368 1 1 225 . 4 1 1 A 18 18 LEU CA C 18 56.800 57.836 -1.036 1 1 226 . 4 1 1 A 18 18 LEU CB C 18 42.600 41.636 0.964 1 1 230 . 4 1 1 A 18 18 LEU N N 18 118.200 122.489 -4.289 1 1 231 . 4 1 1 A 19 19 PHE H H 19 7.330 6.253 1.077 1 1 232 . 4 1 1 A 19 19 PHE HA H 19 3.950 4.644 -0.694 1 1 240 . 4 1 1 A 19 19 PHE C C 19 174.460 175.211 -0.751 1 1 241 . 4 1 1 A 19 19 PHE CA C 19 59.300 57.068 2.232 1 1 242 . 4 1 1 A 19 19 PHE CB C 19 41.800 39.668 2.132 1 1 248 . 4 1 1 A 19 19 PHE N N 19 114.900 113.435 1.465 1 1 249 . 4 1 1 A 20 20 ASP H H 20 7.780 6.926 0.854 1 1 250 . 4 1 1 A 20 20 ASP HA H 20 4.480 4.981 -0.501 1 1 253 . 4 1 1 A 20 20 ASP C C 20 176.700 175.802 0.898 1 1 254 . 4 1 1 A 20 20 ASP CA C 20 52.400 53.520 -1.120 1 1 255 . 4 1 1 A 20 20 ASP CB C 20 39.400 39.276 0.124 1 1 256 . 4 1 1 A 20 20 ASP N N 20 117.700 122.128 -4.428 1 1 257 . 4 1 1 A 21 21 LYS H H 21 7.480 8.000 -0.520 1 1 258 . 4 1 1 A 21 21 LYS HA H 21 3.840 4.091 -0.251 1 1 267 . 4 1 1 A 21 21 LYS C C 21 175.550 177.655 -2.105 1 1 268 . 4 1 1 A 21 21 LYS CA C 21 58.300 59.325 -1.025 1 1 269 . 4 1 1 A 21 21 LYS CB C 21 32.600 32.778 -0.178 1 1 273 . 4 1 1 A 21 21 LYS N N 21 124.200 125.252 -1.052 1 1 274 . 4 1 1 A 22 22 ASP H H 22 7.910 7.983 -0.073 1 1 275 . 4 1 1 A 22 22 ASP HA H 22 4.460 4.637 -0.177 1 1 278 . 4 1 1 A 22 22 ASP C C 22 176.920 177.758 -0.838 1 1 279 . 4 1 1 A 22 22 ASP CA C 22 53.400 53.078 0.322 1 1 280 . 4 1 1 A 22 22 ASP CB C 22 39.800 39.833 -0.033 1 1 281 . 4 1 1 A 22 22 ASP N N 22 113.500 114.335 -0.835 1 1 282 . 4 1 1 A 23 23 GLY H H 23 7.540 7.990 -0.450 1 1 283 . 4 1 1 A 23 23 GLY HA2 H 23 3.730 3.865 -0.135 1 1 284 . 4 1 1 A 23 23 GLY HA3 H 23 3.730 3.865 -0.135 1 1 285 . 4 1 1 A 23 23 GLY C C 23 178.030 175.124 2.906 1 1 286 . 4 1 1 A 23 23 GLY CA C 23 47.400 47.236 0.164 1 1 287 . 4 1 1 A 23 23 GLY N N 23 109.200 108.911 0.289 1 1 288 . 4 1 1 A 24 24 ASP H H 24 8.430 7.900 0.530 1 1 289 . 4 1 1 A 24 24 ASP HA H 24 4.410 4.584 -0.174 1 1 292 . 4 1 1 A 24 24 ASP C C 24 177.580 177.572 0.008 1 1 293 . 4 1 1 A 24 24 ASP CA C 24 53.770 53.581 0.189 1 1 294 . 4 1 1 A 24 24 ASP CB C 24 40.200 40.313 -0.113 1 1 295 . 4 1 1 A 24 24 ASP N N 24 120.700 120.583 0.117 1 1 296 . 4 1 1 A 25 25 GLY H H 25 10.370 9.520 0.850 1 1 297 . 4 1 1 A 25 25 GLY HA2 H 25 4.240 3.977 0.263 1 1 298 . 4 1 1 A 25 25 GLY HA3 H 25 3.610 3.991 -0.381 1 1 299 . 4 1 1 A 25 25 GLY C C 25 175.160 173.593 1.567 1 1 300 . 4 1 1 A 25 25 GLY CA C 25 45.300 45.432 -0.132 1 1 301 . 4 1 1 A 25 25 GLY N N 25 112.100 112.116 -0.016 1 1 302 . 4 1 1 A 26 26 THR H H 26 8.060 7.867 0.193 1 1 303 . 4 1 1 A 26 26 THR HA H 26 5.430 5.028 0.402 1 1 308 . 4 1 1 A 26 26 THR C C 26 177.260 173.327 3.933 1 1 309 . 4 1 1 A 26 26 THR CA C 26 59.500 58.879 0.621 1 1 310 . 4 1 1 A 26 26 THR CB C 26 72.800 73.201 -0.401 1 1 312 . 4 1 1 A 26 26 THR N N 26 110.950 109.727 1.223 1 1 313 . 4 1 1 A 27 27 ILE H H 27 9.890 8.615 1.275 1 1 314 . 4 1 1 A 27 27 ILE HA H 27 4.680 5.094 -0.414 1 1 324 . 4 1 1 A 27 27 ILE C C 27 173.810 175.668 -1.858 1 1 325 . 4 1 1 A 27 27 ILE CA C 27 61.250 60.602 0.648 1 1 326 . 4 1 1 A 27 27 ILE CB C 27 40.700 38.621 2.079 1 1 330 . 4 1 1 A 27 27 ILE N N 27 125.400 124.597 0.803 1 1 331 . 4 1 1 A 28 28 THR H H 28 8.290 8.375 -0.085 1 1 332 . 4 1 1 A 28 28 THR HA H 28 4.680 4.942 -0.262 1 1 337 . 4 1 1 A 28 28 THR C C 28 173.550 176.177 -2.627 1 1 338 . 4 1 1 A 28 28 THR CA C 28 59.200 59.509 -0.309 1 1 339 . 4 1 1 A 28 28 THR CB C 28 72.600 72.061 0.539 1 1 341 . 4 1 1 A 28 28 THR N N 28 116.000 117.785 -1.785 1 1 342 . 4 1 1 A 29 29 THR H H 29 9.180 8.872 0.308 1 1 343 . 4 1 1 A 29 29 THR HA H 29 3.570 3.881 -0.311 1 1 348 . 4 1 1 A 29 29 THR C C 29 176.080 176.769 -0.689 1 1 349 . 4 1 1 A 29 29 THR CA C 29 66.100 66.642 -0.542 1 1 350 . 4 1 1 A 29 29 THR CB C 29 67.650 68.272 -0.622 1 1 352 . 4 1 1 A 29 29 THR N N 29 111.440 114.973 -3.533 1 1 353 . 4 1 1 A 30 30 LYS H H 30 7.340 8.157 -0.817 1 1 354 . 4 1 1 A 30 30 LYS HA H 30 3.960 3.953 0.007 1 1 363 . 4 1 1 A 30 30 LYS C C 30 176.660 179.067 -2.407 1 1 364 . 4 1 1 A 30 30 LYS CA C 30 59.100 59.638 -0.538 1 1 365 . 4 1 1 A 30 30 LYS CB C 30 32.700 32.149 0.551 1 1 369 . 4 1 1 A 30 30 LYS N N 30 120.350 121.664 -1.314 1 1 370 . 4 1 1 A 31 31 GLU H H 31 7.760 8.320 -0.560 1 1 371 . 4 1 1 A 31 31 GLU HA H 31 4.000 4.107 -0.107 1 1 376 . 4 1 1 A 31 31 GLU C C 31 177.230 179.039 -1.809 1 1 377 . 4 1 1 A 31 31 GLU CA C 31 59.600 58.911 0.689 1 1 378 . 4 1 1 A 31 31 GLU CB C 31 29.600 28.278 1.322 1 1 380 . 4 1 1 A 31 31 GLU N N 31 122.300 117.664 4.636 1 1 381 . 4 1 1 A 32 32 LEU H H 32 8.370 8.110 0.260 1 1 382 . 4 1 1 A 32 32 LEU HA H 32 4.060 3.867 0.193 1 1 392 . 4 1 1 A 32 32 LEU C C 32 179.400 178.659 0.741 1 1 393 . 4 1 1 A 32 32 LEU CA C 32 57.550 57.876 -0.326 1 1 394 . 4 1 1 A 32 32 LEU CB C 32 41.700 41.961 -0.261 1 1 398 . 4 1 1 A 32 32 LEU N N 32 120.100 123.170 -3.070 1 1 399 . 4 1 1 A 33 33 GLY H H 33 8.650 7.998 0.652 1 1 400 . 4 1 1 A 33 33 GLY HA2 H 33 3.450 3.807 -0.357 1 1 401 . 4 1 1 A 33 33 GLY HA3 H 33 3.800 3.809 -0.009 1 1 402 . 4 1 1 A 33 33 GLY C C 33 179.640 176.230 3.410 1 1 403 . 4 1 1 A 33 33 GLY CA C 33 48.300 47.703 0.597 1 1 404 . 4 1 1 A 33 33 GLY N N 33 105.700 106.146 -0.446 1 1 405 . 4 1 1 A 34 34 THR H H 34 8.070 7.838 0.232 1 1 406 . 4 1 1 A 34 34 THR HA H 34 3.790 4.010 -0.220 1 1 411 . 4 1 1 A 34 34 THR C C 34 178.670 175.983 2.687 1 1 412 . 4 1 1 A 34 34 THR CA C 34 67.300 67.066 0.234 1 1 413 . 4 1 1 A 34 34 THR CB C 34 68.700 68.623 0.077 1 1 415 . 4 1 1 A 34 34 THR N N 34 118.140 118.750 -0.610 1 1 416 . 4 1 1 A 35 35 VAL H H 35 7.510 7.723 -0.213 1 1 417 . 4 1 1 A 35 35 VAL HA H 35 3.480 3.540 -0.060 1 1 425 . 4 1 1 A 35 35 VAL C C 35 175.050 177.724 -2.674 1 1 426 . 4 1 1 A 35 35 VAL CA C 35 66.500 66.729 -0.229 1 1 427 . 4 1 1 A 35 35 VAL CB C 35 31.400 31.362 0.038 1 1 430 . 4 1 1 A 35 35 VAL N N 35 121.400 121.766 -0.366 1 1 431 . 4 1 1 A 36 36 MET H H 36 8.530 7.928 0.602 1 1 432 . 4 1 1 A 36 36 MET HA H 36 3.590 4.104 -0.514 1 1 440 . 4 1 1 A 36 36 MET C C 36 177.410 177.916 -0.506 1 1 441 . 4 1 1 A 36 36 MET CA C 36 61.900 58.519 3.381 1 1 442 . 4 1 1 A 36 36 MET CB C 36 32.600 31.396 1.204 1 1 445 . 4 1 1 A 36 36 MET N N 36 118.970 118.282 0.688 1 1 446 . 4 1 1 A 37 37 ARG H H 37 8.600 8.209 0.391 1 1 447 . 4 1 1 A 37 37 ARG HA H 37 4.720 4.218 0.502 1 1 454 . 4 1 1 A 37 37 ARG C C 37 179.250 178.836 0.414 1 1 455 . 4 1 1 A 37 37 ARG CA C 37 59.450 59.381 0.069 1 1 456 . 4 1 1 A 37 37 ARG CB C 37 30.200 30.036 0.164 1 1 459 . 4 1 1 A 37 37 ARG N N 37 118.400 120.302 -1.902 1 1 460 . 4 1 1 A 38 38 SER H H 38 7.830 8.011 -0.181 1 1 461 . 4 1 1 A 38 38 SER HA H 38 4.240 4.330 -0.090 1 1 464 . 4 1 1 A 38 38 SER C C 38 178.480 176.563 1.917 1 1 465 . 4 1 1 A 38 38 SER CA C 38 62.100 61.344 0.756 1 1 466 . 4 1 1 A 38 38 SER CB C 38 63.400 62.892 0.508 1 1 467 . 4 1 1 A 38 38 SER N N 38 119.400 115.325 4.075 1 1 468 . 4 1 1 A 39 39 LEU H H 39 7.280 8.249 -0.969 1 1 469 . 4 1 1 A 39 39 LEU HA H 39 4.360 4.465 -0.105 1 1 479 . 4 1 1 A 39 39 LEU C C 39 178.240 176.806 1.434 1 1 480 . 4 1 1 A 39 39 LEU CA C 39 54.300 55.450 -1.150 1 1 481 . 4 1 1 A 39 39 LEU CB C 39 42.100 42.705 -0.605 1 1 485 . 4 1 1 A 39 39 LEU N N 39 119.950 123.582 -3.632 1 1 486 . 4 1 1 A 40 40 GLY H H 40 7.740 8.678 -0.938 1 1 487 . 4 1 1 A 40 40 GLY HA2 H 40 4.140 3.894 0.246 1 1 488 . 4 1 1 A 40 40 GLY HA3 H 40 3.650 3.907 -0.257 1 1 489 . 4 1 1 A 40 40 GLY C C 40 176.140 173.594 2.546 1 1 490 . 4 1 1 A 40 40 GLY CA C 40 45.300 45.788 -0.488 1 1 491 . 4 1 1 A 40 40 GLY N N 40 105.750 108.360 -2.610 1 1 492 . 4 1 1 A 41 41 GLN H H 41 7.710 7.914 -0.204 1 1 493 . 4 1 1 A 41 41 GLN HA H 41 4.360 4.872 -0.512 1 1 500 . 4 1 1 A 41 41 GLN C C 41 176.700 174.032 2.668 1 1 501 . 4 1 1 A 41 41 GLN CA C 41 54.900 53.810 1.090 1 1 502 . 4 1 1 A 41 41 GLN CB C 41 29.600 32.458 -2.858 1 1 504 . 4 1 1 A 41 41 GLN N N 41 118.400 119.068 -0.668 1 1 506 . 4 1 1 A 42 42 ASN H H 42 8.640 8.839 -0.199 1 1 507 . 4 1 1 A 42 42 ASN HA H 42 5.150 5.387 -0.237 1 1 512 . 4 1 1 A 42 42 ASN CA C 42 51.200 50.593 0.607 1 1 513 . 4 1 1 A 42 42 ASN CB C 42 39.500 38.631 0.869 1 1 514 . 4 1 1 A 42 42 ASN N N 42 115.610 116.672 -1.062 1 1 516 . 4 1 1 A 43 43 PRO HA H 43 4.540 4.614 -0.074 1 1 523 . 4 1 1 A 43 43 PRO C C 43 179.440 176.887 2.553 1 1 524 . 4 1 1 A 43 43 PRO CA C 43 62.450 62.751 -0.301 1 1 525 . 4 1 1 A 43 43 PRO CB C 43 31.500 31.934 -0.434 1 1 528 . 4 1 1 A 44 44 THR H H 44 8.660 8.027 0.633 1 1 529 . 4 1 1 A 44 44 THR HA H 44 4.340 4.515 -0.175 1 1 534 . 4 1 1 A 44 44 THR CA C 44 60.450 60.451 -0.001 1 1 535 . 4 1 1 A 44 44 THR CB C 44 71.400 70.948 0.452 1 1 537 . 4 1 1 A 44 44 THR N N 44 112.600 112.927 -0.327 1 1 538 . 4 1 1 A 45 45 GLU H H 45 8.720 9.071 -0.351 1 1 539 . 4 1 1 A 45 45 GLU HA H 45 3.870 3.902 -0.032 1 1 544 . 4 1 1 A 45 45 GLU C C 45 174.270 178.170 -3.900 1 1 545 . 4 1 1 A 45 45 GLU CA C 45 59.900 59.825 0.075 1 1 546 . 4 1 1 A 45 45 GLU CB C 45 29.200 29.281 -0.081 1 1 548 . 4 1 1 A 45 45 GLU N N 45 120.150 122.295 -2.145 1 1 549 . 4 1 1 A 46 46 ALA H H 46 8.200 8.364 -0.164 1 1 550 . 4 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 4 1 1 A 46 46 ALA C C 46 175.180 179.946 -4.766 1 1 555 . 4 1 1 A 46 46 ALA CA C 46 55.100 54.885 0.215 1 1 556 . 4 1 1 A 46 46 ALA CB C 46 18.300 18.239 0.061 1 1 557 . 4 1 1 A 46 46 ALA N N 46 120.450 121.461 -1.011 1 1 558 . 4 1 1 A 47 47 GLU H H 47 7.630 7.779 -0.149 1 1 559 . 4 1 1 A 47 47 GLU HA H 47 3.890 4.107 -0.217 1 1 564 . 4 1 1 A 47 47 GLU C C 47 179.020 178.913 0.107 1 1 565 . 4 1 1 A 47 47 GLU CA C 47 59.500 58.940 0.560 1 1 566 . 4 1 1 A 47 47 GLU CB C 47 29.600 29.311 0.289 1 1 568 . 4 1 1 A 47 47 GLU N N 47 118.320 118.616 -0.296 1 1 569 . 4 1 1 A 48 48 LEU H H 48 7.880 8.104 -0.224 1 1 570 . 4 1 1 A 48 48 LEU HA H 48 3.790 3.949 -0.159 1 1 580 . 4 1 1 A 48 48 LEU C C 48 180.200 179.902 0.298 1 1 581 . 4 1 1 A 48 48 LEU CA C 48 58.150 57.947 0.203 1 1 582 . 4 1 1 A 48 48 LEU CB C 48 42.800 41.638 1.162 1 1 586 . 4 1 1 A 48 48 LEU N N 48 119.000 119.883 -0.883 1 1 587 . 4 1 1 A 49 49 GLN H H 49 8.080 8.264 -0.184 1 1 588 . 4 1 1 A 49 49 GLN HA H 49 3.630 3.985 -0.355 1 1 595 . 4 1 1 A 49 49 GLN C C 49 177.680 177.542 0.138 1 1 596 . 4 1 1 A 49 49 GLN CA C 49 58.600 58.977 -0.377 1 1 597 . 4 1 1 A 49 49 GLN CB C 49 28.500 28.628 -0.128 1 1 599 . 4 1 1 A 49 49 GLN N N 49 117.400 119.001 -1.601 1 1 601 . 4 1 1 A 50 50 ASP H H 50 7.960 8.216 -0.256 1 1 602 . 4 1 1 A 50 50 ASP HA H 50 4.300 4.293 0.007 1 1 605 . 4 1 1 A 50 50 ASP C C 50 178.470 178.551 -0.081 1 1 606 . 4 1 1 A 50 50 ASP CA C 50 57.700 57.804 -0.104 1 1 607 . 4 1 1 A 50 50 ASP CB C 50 40.600 41.824 -1.224 1 1 608 . 4 1 1 A 50 50 ASP N N 50 119.050 119.775 -0.725 1 1 609 . 4 1 1 A 51 51 MET H H 51 7.750 8.254 -0.504 1 1 610 . 4 1 1 A 51 51 MET HA H 51 4.000 4.189 -0.189 1 1 618 . 4 1 1 A 51 51 MET C C 51 178.170 178.749 -0.579 1 1 619 . 4 1 1 A 51 51 MET CA C 51 59.500 58.455 1.045 1 1 620 . 4 1 1 A 51 51 MET CB C 51 34.700 33.055 1.645 1 1 623 . 4 1 1 A 51 51 MET N N 51 117.900 117.807 0.093 1 1 624 . 4 1 1 A 52 52 ILE H H 52 7.580 7.817 -0.237 1 1 625 . 4 1 1 A 52 52 ILE HA H 52 3.620 3.495 0.125 1 1 635 . 4 1 1 A 52 52 ILE C C 52 178.690 177.880 0.810 1 1 636 . 4 1 1 A 52 52 ILE CA C 52 63.600 65.354 -1.754 1 1 637 . 4 1 1 A 52 52 ILE CB C 52 36.700 37.842 -1.142 1 1 641 . 4 1 1 A 52 52 ILE N N 52 116.850 119.261 -2.411 1 1 642 . 4 1 1 A 53 53 ASN H H 53 8.570 8.465 0.105 1 1 643 . 4 1 1 A 53 53 ASN HA H 53 4.310 4.442 -0.132 1 1 648 . 4 1 1 A 53 53 ASN CA C 53 56.400 56.485 -0.085 1 1 649 . 4 1 1 A 53 53 ASN CB C 53 38.300 37.963 0.337 1 1 650 . 4 1 1 A 53 53 ASN N N 53 116.900 118.028 -1.128 1 1 652 . 4 1 1 A 54 54 GLU H H 54 7.520 7.696 -0.176 1 1 653 . 4 1 1 A 54 54 GLU HA H 54 3.950 4.093 -0.143 1 1 658 . 4 1 1 A 54 54 GLU C C 54 178.070 178.616 -0.546 1 1 659 . 4 1 1 A 54 54 GLU CA C 54 59.000 59.165 -0.165 1 1 660 . 4 1 1 A 54 54 GLU CB C 54 29.800 29.232 0.568 1 1 662 . 4 1 1 A 54 54 GLU N N 54 115.650 120.591 -4.941 1 1 663 . 4 1 1 A 55 55 VAL H H 55 7.020 7.202 -0.182 1 1 664 . 4 1 1 A 55 55 VAL HA H 55 4.110 4.010 0.100 1 1 672 . 4 1 1 A 55 55 VAL C C 55 177.890 176.428 1.462 1 1 673 . 4 1 1 A 55 55 VAL CA C 55 61.210 64.666 -3.456 1 1 674 . 4 1 1 A 55 55 VAL CB C 55 33.100 32.062 1.038 1 1 677 . 4 1 1 A 55 55 VAL N N 55 111.500 117.547 -6.047 1 1 678 . 4 1 1 A 56 56 ASP H H 56 7.460 7.893 -0.433 1 1 679 . 4 1 1 A 56 56 ASP HA H 56 4.360 4.635 -0.275 1 1 682 . 4 1 1 A 56 56 ASP C C 56 177.620 176.662 0.958 1 1 683 . 4 1 1 A 56 56 ASP CA C 56 53.550 53.592 -0.042 1 1 684 . 4 1 1 A 56 56 ASP CB C 56 40.600 40.409 0.191 1 1 685 . 4 1 1 A 56 56 ASP N N 56 121.330 121.715 -0.385 1 1 686 . 4 1 1 A 57 57 ALA H H 57 7.780 8.263 -0.483 1 1 687 . 4 1 1 A 57 57 ALA HA H 57 4.080 4.059 0.021 1 1 691 . 4 1 1 A 57 57 ALA C C 57 175.320 178.265 -2.945 1 1 692 . 4 1 1 A 57 57 ALA CA C 57 55.000 55.154 -0.154 1 1 693 . 4 1 1 A 57 57 ALA CB C 57 19.800 18.529 1.271 1 1 694 . 4 1 1 A 57 57 ALA N N 57 130.400 128.130 2.270 1 1 695 . 4 1 1 A 58 58 ASP H H 58 8.140 8.072 0.068 1 1 696 . 4 1 1 A 58 58 ASP HA H 58 4.540 4.586 -0.046 1 1 699 . 4 1 1 A 58 58 ASP C C 58 176.130 177.525 -1.395 1 1 700 . 4 1 1 A 58 58 ASP CA C 58 52.950 53.215 -0.265 1 1 701 . 4 1 1 A 58 58 ASP CB C 58 40.100 40.008 0.092 1 1 702 . 4 1 1 A 58 58 ASP N N 58 113.200 113.186 0.014 1 1 703 . 4 1 1 A 59 59 GLY H H 59 7.530 7.704 -0.174 1 1 704 . 4 1 1 A 59 59 GLY HA2 H 59 3.700 3.918 -0.218 1 1 705 . 4 1 1 A 59 59 GLY HA3 H 59 3.820 3.920 -0.100 1 1 706 . 4 1 1 A 59 59 GLY C C 59 178.830 175.284 3.546 1 1 707 . 4 1 1 A 59 59 GLY CA C 59 47.450 46.981 0.469 1 1 708 . 4 1 1 A 59 59 GLY N N 59 108.180 109.267 -1.087 1 1 709 . 4 1 1 A 60 60 ASN H H 60 8.080 8.723 -0.643 1 1 710 . 4 1 1 A 60 60 ASN HA H 60 4.500 4.688 -0.188 1 1 715 . 4 1 1 A 60 60 ASN CA C 60 52.900 52.564 0.336 1 1 716 . 4 1 1 A 60 60 ASN CB C 60 37.900 37.896 0.004 1 1 717 . 4 1 1 A 60 60 ASN N N 60 118.700 118.571 0.129 1 1 719 . 4 1 1 A 61 61 GLY H H 61 10.640 10.039 0.601 1 1 720 . 4 1 1 A 61 61 GLY HA2 H 61 3.370 3.884 -0.514 1 1 721 . 4 1 1 A 61 61 GLY HA3 H 61 4.190 3.887 0.303 1 1 722 . 4 1 1 A 61 61 GLY C C 61 174.970 173.441 1.529 1 1 723 . 4 1 1 A 61 61 GLY CA C 61 45.300 45.436 -0.136 1 1 724 . 4 1 1 A 61 61 GLY N N 61 113.400 111.900 1.500 1 1 725 . 4 1 1 A 62 62 THR H H 62 7.550 7.745 -0.195 1 1 726 . 4 1 1 A 62 62 THR HA H 62 4.620 4.952 -0.332 1 1 731 . 4 1 1 A 62 62 THR C C 62 176.870 172.678 4.192 1 1 732 . 4 1 1 A 62 62 THR CA C 62 59.550 59.698 -0.148 1 1 733 . 4 1 1 A 62 62 THR CB C 62 72.500 72.644 -0.144 1 1 735 . 4 1 1 A 62 62 THR N N 62 107.860 109.831 -1.971 1 1 736 . 4 1 1 A 63 63 ILE H H 63 8.790 8.511 0.279 1 1 737 . 4 1 1 A 63 63 ILE HA H 63 5.280 5.068 0.212 1 1 747 . 4 1 1 A 63 63 ILE C C 63 173.250 174.686 -1.436 1 1 748 . 4 1 1 A 63 63 ILE CA C 63 57.600 59.815 -2.215 1 1 749 . 4 1 1 A 63 63 ILE CB C 63 39.400 39.986 -0.586 1 1 753 . 4 1 1 A 63 63 ILE N N 63 123.900 121.487 2.413 1 1 754 . 4 1 1 A 64 64 ASP H H 64 8.720 8.814 -0.094 1 1 755 . 4 1 1 A 64 64 ASP HA H 64 5.350 4.938 0.412 1 1 758 . 4 1 1 A 64 64 ASP C C 64 172.850 176.936 -4.086 1 1 759 . 4 1 1 A 64 64 ASP CA C 64 52.100 51.778 0.322 1 1 760 . 4 1 1 A 64 64 ASP CB C 64 42.150 43.311 -1.161 1 1 761 . 4 1 1 A 64 64 ASP N N 64 127.860 128.209 -0.349 1 1 762 . 4 1 1 A 65 65 PHE H H 65 8.840 9.184 -0.344 1 1 763 . 4 1 1 A 65 65 PHE HA H 65 3.890 4.863 -0.973 1 1 771 . 4 1 1 A 65 65 PHE C C 65 175.750 174.529 1.221 1 1 772 . 4 1 1 A 65 65 PHE CA C 65 63.300 63.317 -0.017 1 1 773 . 4 1 1 A 65 65 PHE CB C 65 36.100 37.476 -1.376 1 1 779 . 4 1 1 A 65 65 PHE N N 65 117.500 124.818 -7.318 1 1 780 . 4 1 1 A 66 66 PRO HA H 66 3.770 4.408 -0.638 1 1 787 . 4 1 1 A 66 66 PRO C C 66 175.840 179.413 -3.573 1 1 788 . 4 1 1 A 66 66 PRO CA C 66 67.100 66.510 0.590 1 1 789 . 4 1 1 A 66 66 PRO CB C 66 30.700 30.769 -0.069 1 1 792 . 4 1 1 A 67 67 GLU H H 67 8.340 8.788 -0.448 1 1 793 . 4 1 1 A 67 67 GLU HA H 67 3.920 4.156 -0.236 1 1 798 . 4 1 1 A 67 67 GLU CA C 67 59.400 59.182 0.218 1 1 799 . 4 1 1 A 67 67 GLU CB C 67 29.650 29.178 0.472 1 1 801 . 4 1 1 A 67 67 GLU N N 67 117.850 117.794 0.056 1 1 802 . 4 1 1 A 68 68 PHE H H 68 8.630 8.699 -0.069 1 1 803 . 4 1 1 A 68 68 PHE HA H 68 3.670 4.184 -0.514 1 1 811 . 4 1 1 A 68 68 PHE C C 68 174.810 177.631 -2.821 1 1 812 . 4 1 1 A 68 68 PHE CA C 68 61.400 61.366 0.034 1 1 813 . 4 1 1 A 68 68 PHE CB C 68 40.700 39.251 1.449 1 1 819 . 4 1 1 A 68 68 PHE N N 68 123.200 123.421 -0.221 1 1 820 . 4 1 1 A 69 69 LEU H H 69 8.800 8.730 0.070 1 1 821 . 4 1 1 A 69 69 LEU HA H 69 3.130 4.125 -0.995 1 1 831 . 4 1 1 A 69 69 LEU C C 69 179.310 179.051 0.259 1 1 832 . 4 1 1 A 69 69 LEU CA C 69 58.000 58.370 -0.370 1 1 833 . 4 1 1 A 69 69 LEU CB C 69 41.550 41.919 -0.369 1 1 837 . 4 1 1 A 69 69 LEU N N 69 119.930 119.853 0.077 1 1 838 . 4 1 1 A 70 70 THR H H 70 7.550 7.732 -0.182 1 1 839 . 4 1 1 A 70 70 THR HA H 70 3.530 3.839 -0.309 1 1 844 . 4 1 1 A 70 70 THR C C 70 180.360 177.092 3.268 1 1 845 . 4 1 1 A 70 70 THR CA C 70 66.700 66.666 0.034 1 1 846 . 4 1 1 A 70 70 THR CB C 70 68.500 68.525 -0.025 1 1 848 . 4 1 1 A 70 70 THR N N 70 114.730 114.267 0.463 1 1 849 . 4 1 1 A 71 71 MET H H 71 7.000 8.597 -1.597 1 1 850 . 4 1 1 A 71 71 MET HA H 71 3.640 4.122 -0.482 1 1 858 . 4 1 1 A 71 71 MET C C 71 176.750 178.977 -2.227 1 1 859 . 4 1 1 A 71 71 MET CA C 71 58.800 58.454 0.346 1 1 860 . 4 1 1 A 71 71 MET CB C 71 32.000 32.229 -0.229 1 1 863 . 4 1 1 A 71 71 MET N N 71 119.750 118.749 1.001 1 1 864 . 4 1 1 A 72 72 MET H H 72 7.810 7.962 -0.152 1 1 865 . 4 1 1 A 72 72 MET HA H 72 3.880 4.152 -0.272 1 1 873 . 4 1 1 A 72 72 MET C C 72 174.850 178.257 -3.407 1 1 874 . 4 1 1 A 72 72 MET CA C 72 55.100 58.997 -3.897 1 1 875 . 4 1 1 A 72 72 MET CB C 72 28.900 32.933 -4.033 1 1 878 . 4 1 1 A 72 72 MET N N 72 115.300 118.288 -2.988 1 1 879 . 4 1 1 A 73 73 ALA H H 73 7.880 8.360 -0.480 1 1 880 . 4 1 1 A 73 73 ALA HA H 73 3.990 4.015 -0.025 1 1 884 . 4 1 1 A 73 73 ALA C C 73 177.940 178.830 -0.890 1 1 885 . 4 1 1 A 73 73 ALA CA C 73 53.900 55.207 -1.307 1 1 886 . 4 1 1 A 73 73 ALA CB C 73 18.600 18.311 0.289 1 1 887 . 4 1 1 A 73 73 ALA N N 73 120.000 121.084 -1.084 1 1 888 . 4 1 1 A 74 74 ARG H H 74 7.050 7.215 -0.165 1 1 889 . 4 1 1 A 74 74 ARG HA H 74 4.040 4.379 -0.339 1 1 896 . 4 1 1 A 74 74 ARG C C 74 178.910 176.792 2.118 1 1 897 . 4 1 1 A 74 74 ARG CA C 74 57.400 56.385 1.015 1 1 898 . 4 1 1 A 74 74 ARG CB C 74 30.900 30.532 0.368 1 1 901 . 4 1 1 A 74 74 ARG N N 74 115.850 115.587 0.263 1 1 902 . 4 1 1 A 75 75 LYS H H 75 7.820 7.623 0.197 1 1 903 . 4 1 1 A 75 75 LYS HA H 75 4.200 4.323 -0.123 1 1 912 . 4 1 1 A 75 75 LYS C C 75 178.770 176.797 1.973 1 1 913 . 4 1 1 A 75 75 LYS CA C 75 55.900 55.027 0.873 1 1 914 . 4 1 1 A 75 75 LYS CB C 75 32.600 30.842 1.758 1 1 918 . 4 1 1 A 75 75 LYS N N 75 119.600 121.330 -1.730 1 1 919 . 4 1 1 A 76 76 MET H H 76 8.100 8.111 -0.011 1 1 920 . 4 1 1 A 76 76 MET HA H 76 4.300 4.843 -0.543 1 1 928 . 4 1 1 A 76 76 MET C C 76 176.990 175.884 1.106 1 1 929 . 4 1 1 A 76 76 MET CA C 76 55.800 53.956 1.844 1 1 930 . 4 1 1 A 76 76 MET CB C 76 33.800 32.937 0.863 1 1 933 . 4 1 1 A 76 76 MET N N 76 122.300 124.076 -1.776 1 1 934 . 4 1 1 A 77 77 LYS H H 77 8.150 7.602 0.548 1 1 935 . 4 1 1 A 77 77 LYS HA H 77 4.210 4.097 0.113 1 1 944 . 4 1 1 A 77 77 LYS C C 77 176.890 175.334 1.556 1 1 945 . 4 1 1 A 77 77 LYS CA C 77 56.100 56.815 -0.715 1 1 946 . 4 1 1 A 77 77 LYS CB C 77 33.000 32.765 0.235 1 1 950 . 4 1 1 A 77 77 LYS N N 77 121.300 122.360 -1.060 1 1 951 . 4 1 1 A 78 78 ASP H H 78 8.240 8.651 -0.411 1 1 952 . 4 1 1 A 78 78 ASP HA H 78 4.500 4.867 -0.367 1 1 955 . 4 1 1 A 78 78 ASP C C 78 176.090 174.774 1.316 1 1 956 . 4 1 1 A 78 78 ASP CA C 78 54.700 53.168 1.532 1 1 957 . 4 1 1 A 78 78 ASP CB C 78 41.300 41.317 -0.017 1 1 958 . 4 1 1 A 78 78 ASP N N 78 122.200 126.015 -3.815 1 1 959 . 4 1 1 A 79 79 THR H H 79 8.150 8.771 -0.621 1 1 960 . 4 1 1 A 79 79 THR HA H 79 4.220 4.685 -0.465 1 1 965 . 4 1 1 A 79 79 THR C C 79 176.240 173.948 2.292 1 1 966 . 4 1 1 A 79 79 THR CA C 79 61.500 62.572 -1.072 1 1 967 . 4 1 1 A 79 79 THR CB C 79 70.300 69.676 0.624 1 1 969 . 4 1 1 A 79 79 THR N N 79 114.940 121.562 -6.622 1 1 970 . 4 1 1 A 80 80 ASP H H 80 8.480 8.908 -0.428 1 1 971 . 4 1 1 A 80 80 ASP HA H 80 4.600 4.654 -0.054 1 1 974 . 4 1 1 A 80 80 ASP C C 80 176.230 176.808 -0.578 1 1 975 . 4 1 1 A 80 80 ASP CA C 80 54.100 54.678 -0.578 1 1 976 . 4 1 1 A 80 80 ASP CB C 80 41.600 40.684 0.916 1 1 977 . 4 1 1 A 80 80 ASP N N 80 123.800 127.860 -4.060 1 1 978 . 4 1 1 A 81 81 SER H H 81 8.500 8.943 -0.443 1 1 979 . 4 1 1 A 81 81 SER HA H 81 4.220 4.095 0.125 1 1 982 . 4 1 1 A 81 81 SER C C 81 173.900 176.736 -2.836 1 1 983 . 4 1 1 A 81 81 SER CA C 81 60.400 61.832 -1.432 1 1 984 . 4 1 1 A 81 81 SER CB C 81 63.700 62.690 1.010 1 1 985 . 4 1 1 A 81 81 SER N N 81 118.450 120.549 -2.099 1 1 986 . 4 1 1 A 82 82 GLU H H 82 8.430 8.032 0.398 1 1 987 . 4 1 1 A 82 82 GLU HA H 82 4.010 4.179 -0.169 1 1 992 . 4 1 1 A 82 82 GLU C C 82 176.370 179.397 -3.027 1 1 993 . 4 1 1 A 82 82 GLU CA C 82 59.100 59.331 -0.231 1 1 994 . 4 1 1 A 82 82 GLU CB C 82 29.600 29.218 0.382 1 1 996 . 4 1 1 A 82 82 GLU N N 82 121.850 121.024 0.826 1 1 997 . 4 1 1 A 83 83 GLU H H 83 8.020 8.715 -0.695 1 1 998 . 4 1 1 A 83 83 GLU HA H 83 4.040 4.022 0.018 1 1 1003 . 4 1 1 A 83 83 GLU C C 83 175.890 178.831 -2.941 1 1 1004 . 4 1 1 A 83 83 GLU CA C 83 58.800 59.386 -0.586 1 1 1005 . 4 1 1 A 83 83 GLU CB C 83 29.400 29.285 0.115 1 1 1007 . 4 1 1 A 83 83 GLU N N 83 119.470 119.661 -0.191 1 1 1008 . 4 1 1 A 84 84 GLU H H 84 7.930 7.867 0.063 1 1 1009 . 4 1 1 A 84 84 GLU HA H 84 4.150 4.152 -0.002 1 1 1014 . 4 1 1 A 84 84 GLU C C 84 176.160 179.442 -3.282 1 1 1015 . 4 1 1 A 84 84 GLU CA C 84 59.400 58.798 0.602 1 1 1016 . 4 1 1 A 84 84 GLU CB C 84 29.600 29.487 0.113 1 1 1018 . 4 1 1 A 84 84 GLU N N 84 118.310 119.359 -1.049 1 1 1019 . 4 1 1 A 85 85 ILE H H 85 7.880 8.141 -0.261 1 1 1020 . 4 1 1 A 85 85 ILE HA H 85 3.880 3.718 0.162 1 1 1030 . 4 1 1 A 85 85 ILE C C 85 179.870 177.600 2.270 1 1 1031 . 4 1 1 A 85 85 ILE CA C 85 65.400 64.997 0.403 1 1 1032 . 4 1 1 A 85 85 ILE CB C 85 37.400 37.633 -0.233 1 1 1036 . 4 1 1 A 85 85 ILE N N 85 120.900 121.070 -0.170 1 1 1037 . 4 1 1 A 86 86 ARG H H 86 7.990 8.344 -0.354 1 1 1038 . 4 1 1 A 86 86 ARG HA H 86 4.030 4.027 0.003 1 1 1045 . 4 1 1 A 86 86 ARG C C 86 180.520 179.121 1.399 1 1 1046 . 4 1 1 A 86 86 ARG CA C 86 60.200 60.043 0.157 1 1 1047 . 4 1 1 A 86 86 ARG CB C 86 29.800 29.922 -0.122 1 1 1050 . 4 1 1 A 86 86 ARG N N 86 121.000 119.622 1.378 1 1 1051 . 4 1 1 A 87 87 GLU H H 87 8.350 8.518 -0.168 1 1 1052 . 4 1 1 A 87 87 GLU HA H 87 3.900 4.078 -0.178 1 1 1057 . 4 1 1 A 87 87 GLU C C 87 177.380 179.579 -2.199 1 1 1058 . 4 1 1 A 87 87 GLU CA C 87 59.600 59.433 0.167 1 1 1059 . 4 1 1 A 87 87 GLU CB C 87 29.500 29.723 -0.223 1 1 1061 . 4 1 1 A 87 87 GLU N N 87 117.860 119.642 -1.782 1 1 1062 . 4 1 1 A 88 88 ALA H H 88 7.880 7.864 0.016 1 1 1063 . 4 1 1 A 88 88 ALA HA H 88 4.060 4.233 -0.173 1 1 1067 . 4 1 1 A 88 88 ALA C C 88 178.580 179.622 -1.042 1 1 1068 . 4 1 1 A 88 88 ALA CA C 88 55.200 54.850 0.350 1 1 1069 . 4 1 1 A 88 88 ALA CB C 88 17.900 18.195 -0.295 1 1 1070 . 4 1 1 A 88 88 ALA N N 88 120.100 122.716 -2.616 1 1 1071 . 4 1 1 A 89 89 PHE H H 89 8.550 7.894 0.656 1 1 1072 . 4 1 1 A 89 89 PHE HA H 89 4.000 3.744 0.256 1 1 1080 . 4 1 1 A 89 89 PHE C C 89 179.770 177.300 2.470 1 1 1081 . 4 1 1 A 89 89 PHE CA C 89 61.800 61.266 0.534 1 1 1082 . 4 1 1 A 89 89 PHE CB C 89 39.130 39.121 0.009 1 1 1088 . 4 1 1 A 89 89 PHE N N 89 118.760 119.460 -0.700 1 1 1089 . 4 1 1 A 90 90 ARG H H 90 7.750 7.872 -0.122 1 1 1090 . 4 1 1 A 90 90 ARG HA H 90 3.760 4.028 -0.268 1 1 1097 . 4 1 1 A 90 90 ARG C C 90 179.090 178.790 0.300 1 1 1098 . 4 1 1 A 90 90 ARG CA C 90 58.800 59.174 -0.374 1 1 1099 . 4 1 1 A 90 90 ARG CB C 90 30.500 29.795 0.705 1 1 1102 . 4 1 1 A 90 90 ARG N N 90 115.100 118.688 -3.588 1 1 1103 . 4 1 1 A 91 91 VAL H H 91 7.270 7.538 -0.268 1 1 1104 . 4 1 1 A 91 91 VAL HA H 91 3.360 3.551 -0.191 1 1 1112 . 4 1 1 A 91 91 VAL C C 91 179.060 178.022 1.038 1 1 1113 . 4 1 1 A 91 91 VAL CA C 91 66.050 66.358 -0.308 1 1 1114 . 4 1 1 A 91 91 VAL CB C 91 31.200 31.751 -0.551 1 1 1117 . 4 1 1 A 91 91 VAL N N 91 117.450 119.498 -2.048 1 1 1118 . 4 1 1 A 92 92 PHE H H 92 7.000 7.784 -0.784 1 1 1119 . 4 1 1 A 92 92 PHE HA H 92 4.070 4.130 -0.060 1 1 1127 . 4 1 1 A 92 92 PHE C C 92 177.490 176.394 1.096 1 1 1128 . 4 1 1 A 92 92 PHE CA C 92 60.700 59.776 0.924 1 1 1129 . 4 1 1 A 92 92 PHE CB C 92 38.000 39.428 -1.428 1 1 1135 . 4 1 1 A 92 92 PHE N N 92 114.400 118.408 -4.008 1 1 1136 . 4 1 1 A 93 93 ASP H H 93 7.870 8.189 -0.319 1 1 1137 . 4 1 1 A 93 93 ASP HA H 93 4.450 4.415 0.035 1 1 1140 . 4 1 1 A 93 93 ASP C C 93 176.830 176.252 0.578 1 1 1141 . 4 1 1 A 93 93 ASP CA C 93 52.300 52.234 0.066 1 1 1142 . 4 1 1 A 93 93 ASP CB C 93 38.800 38.945 -0.145 1 1 1143 . 4 1 1 A 93 93 ASP N N 93 115.100 116.983 -1.883 1 1 1144 . 4 1 1 A 94 94 LYS H H 94 7.510 7.822 -0.312 1 1 1145 . 4 1 1 A 94 94 LYS HA H 94 3.770 3.759 0.011 1 1 1154 . 4 1 1 A 94 94 LYS C C 94 176.650 177.659 -1.009 1 1 1155 . 4 1 1 A 94 94 LYS CA C 94 59.400 59.979 -0.579 1 1 1156 . 4 1 1 A 94 94 LYS CB C 94 32.800 32.092 0.708 1 1 1160 . 4 1 1 A 94 94 LYS N N 94 124.250 126.591 -2.341 1 1 1161 . 4 1 1 A 95 95 ASP H H 95 8.190 7.664 0.526 1 1 1162 . 4 1 1 A 95 95 ASP HA H 95 4.430 4.601 -0.171 1 1 1165 . 4 1 1 A 95 95 ASP C C 95 177.580 177.600 -0.020 1 1 1166 . 4 1 1 A 95 95 ASP CA C 95 53.600 53.171 0.429 1 1 1167 . 4 1 1 A 95 95 ASP CB C 95 39.900 39.935 -0.035 1 1 1168 . 4 1 1 A 95 95 ASP N N 95 113.600 114.874 -1.274 1 1 1169 . 4 1 1 A 96 96 GLY H H 96 7.770 7.947 -0.177 1 1 1170 . 4 1 1 A 96 96 GLY HA2 H 96 3.750 3.880 -0.130 1 1 1171 . 4 1 1 A 96 96 GLY HA3 H 96 3.750 3.895 -0.145 1 1 1172 . 4 1 1 A 96 96 GLY C C 96 178.400 175.457 2.943 1 1 1173 . 4 1 1 A 96 96 GLY CA C 96 47.100 46.996 0.104 1 1 1174 . 4 1 1 A 96 96 GLY N N 96 108.900 109.094 -0.194 1 1 1175 . 4 1 1 A 97 97 ASN H H 97 8.270 8.011 0.259 1 1 1176 . 4 1 1 A 97 97 ASN HA H 97 4.520 4.756 -0.236 1 1 1181 . 4 1 1 A 97 97 ASN CA C 97 52.900 52.460 0.440 1 1 1182 . 4 1 1 A 97 97 ASN CB C 97 38.100 38.074 0.026 1 1 1183 . 4 1 1 A 97 97 ASN N N 97 119.460 118.856 0.604 1 1 1185 . 4 1 1 A 98 98 GLY H H 98 10.660 9.411 1.249 1 1 1186 . 4 1 1 A 98 98 GLY HA2 H 98 3.330 3.598 -0.268 1 1 1187 . 4 1 1 A 98 98 GLY HA3 H 98 3.960 3.812 0.148 1 1 1188 . 4 1 1 A 98 98 GLY C C 98 178.360 172.637 5.723 1 1 1189 . 4 1 1 A 98 98 GLY CA C 98 45.800 45.244 0.556 1 1 1190 . 4 1 1 A 98 98 GLY N N 98 112.700 111.701 0.999 1 1 1191 . 4 1 1 A 99 99 TYR H H 99 7.570 8.782 -1.212 1 1 1192 . 4 1 1 A 99 99 TYR HA H 99 4.850 5.384 -0.534 1 1 1199 . 4 1 1 A 99 99 TYR C C 99 176.090 174.973 1.117 1 1 1200 . 4 1 1 A 99 99 TYR CA C 99 56.250 56.012 0.238 1 1 1201 . 4 1 1 A 99 99 TYR CB C 99 42.700 43.160 -0.460 1 1 1206 . 4 1 1 A 99 99 TYR N N 99 115.850 117.336 -1.486 1 1 1207 . 4 1 1 A 100 100 ILE H H 100 10.120 9.186 0.934 1 1 1208 . 4 1 1 A 100 100 ILE HA H 100 4.600 4.818 -0.218 1 1 1218 . 4 1 1 A 100 100 ILE C C 100 172.730 175.313 -2.583 1 1 1219 . 4 1 1 A 100 100 ILE CA C 100 61.500 60.548 0.952 1 1 1220 . 4 1 1 A 100 100 ILE CB C 100 39.300 39.023 0.277 1 1 1224 . 4 1 1 A 100 100 ILE N N 100 127.260 124.549 2.711 1 1 1225 . 4 1 1 A 101 101 SER H H 101 9.010 9.069 -0.059 1 1 1226 . 4 1 1 A 101 101 SER HA H 101 4.820 4.810 0.010 1 1 1229 . 4 1 1 A 101 101 SER C C 101 174.660 175.720 -1.060 1 1 1230 . 4 1 1 A 101 101 SER CA C 101 55.900 57.475 -1.575 1 1 1231 . 4 1 1 A 101 101 SER CB C 101 67.000 64.639 2.361 1 1 1232 . 4 1 1 A 101 101 SER N N 101 123.850 122.886 0.964 1 1 1233 . 4 1 1 A 102 102 ALA H H 102 9.240 9.026 0.214 1 1 1234 . 4 1 1 A 102 102 ALA HA H 102 3.830 4.048 -0.218 1 1 1238 . 4 1 1 A 102 102 ALA C C 102 175.840 179.861 -4.021 1 1 1239 . 4 1 1 A 102 102 ALA CA C 102 56.170 55.800 0.370 1 1 1240 . 4 1 1 A 102 102 ALA CB C 102 18.200 17.961 0.239 1 1 1241 . 4 1 1 A 102 102 ALA N N 102 122.650 130.219 -7.569 1 1 1242 . 4 1 1 A 103 103 ALA H H 103 8.180 8.177 0.003 1 1 1243 . 4 1 1 A 103 103 ALA HA H 103 3.980 3.985 -0.005 1 1 1247 . 4 1 1 A 103 103 ALA C C 103 175.260 180.248 -4.988 1 1 1248 . 4 1 1 A 103 103 ALA CA C 103 55.200 55.212 -0.012 1 1 1249 . 4 1 1 A 103 103 ALA CB C 103 18.500 18.706 -0.206 1 1 1250 . 4 1 1 A 103 103 ALA N N 103 118.250 119.503 -1.253 1 1 1251 . 4 1 1 A 104 104 GLU H H 104 7.860 7.898 -0.038 1 1 1252 . 4 1 1 A 104 104 GLU HA H 104 3.890 3.902 -0.012 1 1 1257 . 4 1 1 A 104 104 GLU C C 104 179.350 179.022 0.328 1 1 1258 . 4 1 1 A 104 104 GLU CA C 104 59.800 59.443 0.357 1 1 1259 . 4 1 1 A 104 104 GLU CB C 104 29.500 29.660 -0.160 1 1 1261 . 4 1 1 A 104 104 GLU N N 104 120.200 118.074 2.126 1 1 1262 . 4 1 1 A 105 105 LEU H H 105 8.500 7.950 0.550 1 1 1263 . 4 1 1 A 105 105 LEU HA H 105 3.960 3.931 0.029 1 1 1273 . 4 1 1 A 105 105 LEU C C 105 179.190 178.529 0.661 1 1 1274 . 4 1 1 A 105 105 LEU CA C 105 58.400 57.905 0.495 1 1 1275 . 4 1 1 A 105 105 LEU CB C 105 42.600 41.715 0.885 1 1 1279 . 4 1 1 A 105 105 LEU N N 105 120.100 121.119 -1.019 1 1 1280 . 4 1 1 A 106 106 ARG H H 106 8.490 8.284 0.206 1 1 1281 . 4 1 1 A 106 106 ARG HA H 106 3.550 3.929 -0.379 1 1 1288 . 4 1 1 A 106 106 ARG C C 106 175.240 178.431 -3.191 1 1 1289 . 4 1 1 A 106 106 ARG CA C 106 60.300 59.232 1.068 1 1 1290 . 4 1 1 A 106 106 ARG CB C 106 30.400 29.785 0.615 1 1 1293 . 4 1 1 A 106 106 ARG N N 106 117.300 120.038 -2.738 1 1 1294 . 4 1 1 A 107 107 HIS H H 107 7.870 7.970 -0.100 1 1 1295 . 4 1 1 A 107 107 HIS HA H 107 4.120 4.134 -0.014 1 1 1300 . 4 1 1 A 107 107 HIS C C 107 176.690 177.304 -0.614 1 1 1301 . 4 1 1 A 107 107 HIS CA C 107 60.300 59.149 1.151 1 1 1302 . 4 1 1 A 107 107 HIS CB C 107 31.100 29.726 1.374 1 1 1304 . 4 1 1 A 107 107 HIS N N 107 120.000 119.509 0.491 1 1 1306 . 4 1 1 A 108 108 VAL H H 108 8.190 8.683 -0.493 1 1 1307 . 4 1 1 A 108 108 VAL HA H 108 3.400 3.419 -0.019 1 1 1315 . 4 1 1 A 108 108 VAL C C 108 178.430 177.846 0.584 1 1 1316 . 4 1 1 A 108 108 VAL CA C 108 66.500 66.435 0.065 1 1 1317 . 4 1 1 A 108 108 VAL CB C 108 31.800 31.068 0.732 1 1 1320 . 4 1 1 A 108 108 VAL N N 108 118.980 119.557 -0.577 1 1 1321 . 4 1 1 A 109 109 MET H H 109 8.180 8.153 0.027 1 1 1322 . 4 1 1 A 109 109 MET HA H 109 4.220 4.062 0.158 1 1 1330 . 4 1 1 A 109 109 MET C C 109 179.690 178.941 0.749 1 1 1331 . 4 1 1 A 109 109 MET CA C 109 57.300 58.861 -1.561 1 1 1332 . 4 1 1 A 109 109 MET CB C 109 29.700 32.529 -2.829 1 1 1335 . 4 1 1 A 109 109 MET N N 109 114.980 117.547 -2.567 1 1 1336 . 4 1 1 A 110 110 THR H H 110 8.220 7.910 0.310 1 1 1337 . 4 1 1 A 110 110 THR HA H 110 4.000 3.755 0.245 1 1 1342 . 4 1 1 A 110 110 THR C C 110 176.410 176.443 -0.033 1 1 1343 . 4 1 1 A 110 110 THR CA C 110 67.100 67.038 0.062 1 1 1344 . 4 1 1 A 110 110 THR CB C 110 68.500 68.250 0.250 1 1 1346 . 4 1 1 A 110 110 THR N N 110 116.970 115.083 1.887 1 1 1347 . 4 1 1 A 111 111 ASN H H 111 7.780 7.713 0.067 1 1 1348 . 4 1 1 A 111 111 ASN HA H 111 4.320 4.506 -0.186 1 1 1353 . 4 1 1 A 111 111 ASN CA C 111 55.800 56.131 -0.331 1 1 1354 . 4 1 1 A 111 111 ASN CB C 111 38.200 37.985 0.215 1 1 1355 . 4 1 1 A 111 111 ASN N N 111 122.350 119.524 2.826 1 1 1357 . 4 1 1 A 112 112 LEU H H 112 7.480 7.426 0.054 1 1 1358 . 4 1 1 A 112 112 LEU HA H 112 4.210 4.274 -0.064 1 1 1368 . 4 1 1 A 112 112 LEU C C 112 178.710 177.026 1.684 1 1 1369 . 4 1 1 A 112 112 LEU CA C 112 55.100 55.236 -0.136 1 1 1370 . 4 1 1 A 112 112 LEU CB C 112 42.500 42.505 -0.005 1 1 1374 . 4 1 1 A 112 112 LEU N N 112 118.300 117.138 1.162 1 1 1375 . 4 1 1 A 113 113 GLY H H 113 7.740 7.813 -0.073 1 1 1376 . 4 1 1 A 113 113 GLY HA2 H 113 3.580 3.931 -0.351 1 1 1377 . 4 1 1 A 113 113 GLY HA3 H 113 4.140 3.942 0.198 1 1 1378 . 4 1 1 A 113 113 GLY C C 113 176.830 174.789 2.041 1 1 1379 . 4 1 1 A 113 113 GLY CA C 113 45.370 46.444 -1.074 1 1 1380 . 4 1 1 A 113 113 GLY N N 113 106.500 108.222 -1.722 1 1 1381 . 4 1 1 A 114 114 GLU H H 114 7.780 8.207 -0.427 1 1 1382 . 4 1 1 A 114 114 GLU HA H 114 4.240 4.359 -0.119 1 1 1387 . 4 1 1 A 114 114 GLU C C 114 176.790 175.922 0.868 1 1 1388 . 4 1 1 A 114 114 GLU CA C 114 54.800 56.548 -1.748 1 1 1389 . 4 1 1 A 114 114 GLU CB C 114 29.900 30.382 -0.482 1 1 1391 . 4 1 1 A 114 114 GLU N N 114 119.300 118.823 0.477 1 1 1392 . 4 1 1 A 115 115 LYS H H 115 8.540 7.838 0.702 1 1 1393 . 4 1 1 A 115 115 LYS HA H 115 4.270 3.770 0.500 1 1 1402 . 4 1 1 A 115 115 LYS C C 115 174.300 175.671 -1.371 1 1 1403 . 4 1 1 A 115 115 LYS CA C 115 55.500 57.084 -1.584 1 1 1404 . 4 1 1 A 115 115 LYS CB C 115 31.900 30.315 1.585 1 1 1408 . 4 1 1 A 115 115 LYS N N 115 125.000 116.610 8.390 1 1 1409 . 4 1 1 A 116 116 LEU H H 116 8.000 7.946 0.054 1 1 1410 . 4 1 1 A 116 116 LEU HA H 116 4.630 4.341 0.289 1 1 1420 . 4 1 1 A 116 116 LEU C C 116 175.060 177.882 -2.822 1 1 1421 . 4 1 1 A 116 116 LEU CA C 116 54.100 54.767 -0.667 1 1 1422 . 4 1 1 A 116 116 LEU CB C 116 44.100 42.576 1.524 1 1 1426 . 4 1 1 A 116 116 LEU N N 116 123.620 120.240 3.380 1 1 1427 . 4 1 1 A 117 117 THR H H 117 9.140 8.338 0.802 1 1 1428 . 4 1 1 A 117 117 THR HA H 117 4.340 4.622 -0.282 1 1 1433 . 4 1 1 A 117 117 THR C C 117 175.610 175.596 0.014 1 1 1434 . 4 1 1 A 117 117 THR CA C 117 60.500 60.594 -0.094 1 1 1435 . 4 1 1 A 117 117 THR CB C 117 71.100 71.421 -0.321 1 1 1437 . 4 1 1 A 117 117 THR N N 117 114.240 114.993 -0.753 1 1 1438 . 4 1 1 A 118 118 ASP H H 118 8.820 9.111 -0.291 1 1 1439 . 4 1 1 A 118 118 ASP HA H 118 4.100 4.336 -0.236 1 1 1442 . 4 1 1 A 118 118 ASP C C 118 178.610 178.238 0.372 1 1 1443 . 4 1 1 A 118 118 ASP CA C 118 58.000 57.210 0.790 1 1 1444 . 4 1 1 A 118 118 ASP CB C 118 39.700 39.775 -0.075 1 1 1445 . 4 1 1 A 118 118 ASP N N 118 120.660 121.026 -0.366 1 1 1446 . 4 1 1 A 119 119 GLU H H 119 8.450 8.101 0.349 1 1 1447 . 4 1 1 A 119 119 GLU HA H 119 3.960 4.031 -0.071 1 1 1452 . 4 1 1 A 119 119 GLU C C 119 175.620 179.407 -3.787 1 1 1453 . 4 1 1 A 119 119 GLU CA C 119 59.800 59.628 0.172 1 1 1454 . 4 1 1 A 119 119 GLU CB C 119 29.400 29.248 0.152 1 1 1456 . 4 1 1 A 119 119 GLU N N 119 118.790 119.758 -0.968 1 1 1457 . 4 1 1 A 120 120 GLU H H 120 7.570 7.626 -0.056 1 1 1458 . 4 1 1 A 120 120 GLU HA H 120 3.950 4.173 -0.223 1 1 1463 . 4 1 1 A 120 120 GLU C C 120 178.630 178.902 -0.272 1 1 1464 . 4 1 1 A 120 120 GLU CA C 120 59.600 58.516 1.084 1 1 1465 . 4 1 1 A 120 120 GLU CB C 120 29.400 28.991 0.409 1 1 1467 . 4 1 1 A 120 120 GLU N N 120 120.120 119.173 0.947 1 1 1468 . 4 1 1 A 121 121 VAL H H 121 7.750 8.180 -0.430 1 1 1469 . 4 1 1 A 121 121 VAL HA H 121 3.240 3.561 -0.321 1 1 1477 . 4 1 1 A 121 121 VAL C C 121 179.110 177.750 1.360 1 1 1478 . 4 1 1 A 121 121 VAL CA C 121 67.300 66.337 0.963 1 1 1479 . 4 1 1 A 121 121 VAL CB C 121 31.550 31.577 -0.027 1 1 1482 . 4 1 1 A 121 121 VAL N N 121 119.400 121.455 -2.055 1 1 1483 . 4 1 1 A 122 122 ASP H H 122 7.840 8.129 -0.289 1 1 1484 . 4 1 1 A 122 122 ASP HA H 122 4.260 4.317 -0.057 1 1 1487 . 4 1 1 A 122 122 ASP C C 122 178.890 178.331 0.559 1 1 1488 . 4 1 1 A 122 122 ASP CA C 122 57.700 57.542 0.158 1 1 1489 . 4 1 1 A 122 122 ASP CB C 122 40.200 41.082 -0.882 1 1 1490 . 4 1 1 A 122 122 ASP N N 122 118.550 120.402 -1.852 1 1 1491 . 4 1 1 A 123 123 GLU H H 123 8.110 8.258 -0.148 1 1 1492 . 4 1 1 A 123 123 GLU HA H 123 3.880 4.054 -0.174 1 1 1497 . 4 1 1 A 123 123 GLU C C 123 177.710 178.926 -1.216 1 1 1498 . 4 1 1 A 123 123 GLU CA C 123 59.600 59.288 0.312 1 1 1499 . 4 1 1 A 123 123 GLU CB C 123 29.400 29.301 0.099 1 1 1501 . 4 1 1 A 123 123 GLU N N 123 119.670 119.322 0.348 1 1 1502 . 4 1 1 A 124 124 MET H H 124 8.000 8.103 -0.103 1 1 1503 . 4 1 1 A 124 124 MET HA H 124 3.700 4.180 -0.480 1 1 1511 . 4 1 1 A 124 124 MET C C 124 179.020 178.770 0.250 1 1 1512 . 4 1 1 A 124 124 MET CA C 124 60.700 58.841 1.859 1 1 1513 . 4 1 1 A 124 124 MET CB C 124 33.200 33.005 0.195 1 1 1516 . 4 1 1 A 124 124 MET N N 124 118.100 118.724 -0.624 1 1 1517 . 4 1 1 A 125 125 ILE H H 125 8.220 7.783 0.437 1 1 1518 . 4 1 1 A 125 125 ILE HA H 125 3.610 3.615 -0.005 1 1 1528 . 4 1 1 A 125 125 ILE C C 125 179.410 177.811 1.599 1 1 1529 . 4 1 1 A 125 125 ILE CA C 125 64.200 65.030 -0.830 1 1 1530 . 4 1 1 A 125 125 ILE CB C 125 36.000 37.783 -1.783 1 1 1534 . 4 1 1 A 125 125 ILE N N 125 121.400 119.493 1.907 1 1 1535 . 4 1 1 A 126 126 ARG H H 126 8.510 8.123 0.387 1 1 1536 . 4 1 1 A 126 126 ARG HA H 126 3.930 3.912 0.018 1 1 1543 . 4 1 1 A 126 126 ARG C C 126 178.070 178.829 -0.759 1 1 1544 . 4 1 1 A 126 126 ARG CA C 126 59.500 59.964 -0.464 1 1 1545 . 4 1 1 A 126 126 ARG CB C 126 30.300 29.890 0.410 1 1 1548 . 4 1 1 A 126 126 ARG N N 126 117.650 119.889 -2.239 1 1 1549 . 4 1 1 A 127 127 GLU H H 127 7.820 8.017 -0.197 1 1 1550 . 4 1 1 A 127 127 GLU HA H 127 3.880 4.090 -0.210 1 1 1555 . 4 1 1 A 127 127 GLU C C 127 180.080 178.283 1.797 1 1 1556 . 4 1 1 A 127 127 GLU CA C 127 58.300 59.168 -0.868 1 1 1557 . 4 1 1 A 127 127 GLU CB C 127 29.800 29.369 0.431 1 1 1559 . 4 1 1 A 127 127 GLU N N 127 115.300 118.952 -3.652 1 1 1560 . 4 1 1 A 128 128 ALA H H 128 6.960 7.235 -0.275 1 1 1561 . 4 1 1 A 128 128 ALA HA H 128 4.340 4.352 -0.012 1 1 1565 . 4 1 1 A 128 128 ALA C C 128 181.640 177.198 4.442 1 1 1566 . 4 1 1 A 128 128 ALA CA C 128 51.700 52.157 -0.457 1 1 1567 . 4 1 1 A 128 128 ALA CB C 128 22.400 20.177 2.223 1 1 1568 . 4 1 1 A 128 128 ALA N N 128 115.890 119.430 -3.540 1 1 1569 . 4 1 1 A 129 129 ASP H H 129 8.210 7.754 0.456 1 1 1570 . 4 1 1 A 129 129 ASP HA H 129 4.360 4.581 -0.221 1 1 1573 . 4 1 1 A 129 129 ASP C C 129 176.420 176.681 -0.261 1 1 1574 . 4 1 1 A 129 129 ASP CA C 129 54.300 54.172 0.128 1 1 1575 . 4 1 1 A 129 129 ASP CB C 129 40.400 40.746 -0.346 1 1 1576 . 4 1 1 A 129 129 ASP N N 129 117.100 118.466 -1.366 1 1 1577 . 4 1 1 A 130 130 ILE H H 130 8.250 9.192 -0.942 1 1 1578 . 4 1 1 A 130 130 ILE HA H 130 3.800 3.988 -0.188 1 1 1588 . 4 1 1 A 130 130 ILE C C 130 177.960 175.612 2.348 1 1 1589 . 4 1 1 A 130 130 ILE CA C 130 63.500 62.974 0.526 1 1 1590 . 4 1 1 A 130 130 ILE CB C 130 38.500 38.243 0.257 1 1 1594 . 4 1 1 A 130 130 ILE N N 130 127.900 127.720 0.180 1 1 1595 . 4 1 1 A 131 131 ASP H H 131 8.220 7.618 0.602 1 1 1596 . 4 1 1 A 131 131 ASP HA H 131 4.400 4.989 -0.589 1 1 1599 . 4 1 1 A 131 131 ASP C C 131 175.850 175.910 -0.060 1 1 1600 . 4 1 1 A 131 131 ASP CA C 131 53.800 52.316 1.484 1 1 1601 . 4 1 1 A 131 131 ASP CB C 131 39.900 44.029 -4.129 1 1 1602 . 4 1 1 A 131 131 ASP N N 131 116.250 117.341 -1.091 1 1 1603 . 4 1 1 A 132 132 GLY H H 132 7.520 9.062 -1.542 1 1 1604 . 4 1 1 A 132 132 GLY HA2 H 132 3.700 3.896 -0.196 1 1 1605 . 4 1 1 A 132 132 GLY HA3 H 132 3.900 3.899 0.001 1 1 1606 . 4 1 1 A 132 132 GLY C C 132 177.820 175.054 2.766 1 1 1607 . 4 1 1 A 132 132 GLY CA C 132 47.400 47.223 0.177 1 1 1608 . 4 1 1 A 132 132 GLY N N 132 108.170 108.111 0.059 1 1 1609 . 4 1 1 A 133 133 ASP H H 133 8.240 8.322 -0.082 1 1 1610 . 4 1 1 A 133 133 ASP HA H 133 4.360 4.546 -0.186 1 1 1613 . 4 1 1 A 133 133 ASP C C 133 178.290 177.558 0.732 1 1 1614 . 4 1 1 A 133 133 ASP CA C 133 53.800 53.481 0.319 1 1 1615 . 4 1 1 A 133 133 ASP CB C 133 40.300 40.305 -0.005 1 1 1616 . 4 1 1 A 133 133 ASP N N 133 120.370 120.082 0.288 1 1 1617 . 4 1 1 A 134 134 GLY H H 134 10.140 9.563 0.577 1 1 1618 . 4 1 1 A 134 134 GLY HA2 H 134 3.300 3.830 -0.530 1 1 1619 . 4 1 1 A 134 134 GLY HA3 H 134 3.930 3.839 0.091 1 1 1620 . 4 1 1 A 134 134 GLY C C 134 175.350 173.254 2.096 1 1 1621 . 4 1 1 A 134 134 GLY CA C 134 45.900 45.631 0.269 1 1 1622 . 4 1 1 A 134 134 GLY N N 134 112.150 111.345 0.805 1 1 1623 . 4 1 1 A 135 135 GLN H H 135 7.910 7.875 0.035 1 1 1624 . 4 1 1 A 135 135 GLN HA H 135 4.870 4.979 -0.109 1 1 1631 . 4 1 1 A 135 135 GLN C C 135 177.620 174.471 3.149 1 1 1632 . 4 1 1 A 135 135 GLN CA C 135 53.300 53.658 -0.358 1 1 1633 . 4 1 1 A 135 135 GLN CB C 135 33.000 32.609 0.391 1 1 1635 . 4 1 1 A 135 135 GLN N N 135 114.700 118.542 -3.842 1 1 1637 . 4 1 1 A 136 136 VAL H H 136 9.070 8.804 0.266 1 1 1638 . 4 1 1 A 136 136 VAL HA H 136 5.110 5.153 -0.043 1 1 1646 . 4 1 1 A 136 136 VAL C C 136 172.750 175.772 -3.022 1 1 1647 . 4 1 1 A 136 136 VAL CA C 136 61.800 61.707 0.093 1 1 1648 . 4 1 1 A 136 136 VAL CB C 136 34.100 33.069 1.031 1 1 1651 . 4 1 1 A 136 136 VAL N N 136 124.900 122.203 2.697 1 1 1652 . 4 1 1 A 137 137 ASN H H 137 9.450 9.060 0.390 1 1 1653 . 4 1 1 A 137 137 ASN HA H 137 5.240 5.322 -0.082 1 1 1658 . 4 1 1 A 137 137 ASN CA C 137 51.400 52.706 -1.306 1 1 1659 . 4 1 1 A 137 137 ASN CB C 137 40.000 39.630 0.370 1 1 1660 . 4 1 1 A 137 137 ASN N N 137 128.840 126.036 2.804 1 1 1662 . 4 1 1 A 138 138 TYR H H 138 8.330 8.995 -0.665 1 1 1663 . 4 1 1 A 138 138 TYR HA H 138 3.240 4.333 -1.093 1 1 1670 . 4 1 1 A 138 138 TYR C C 138 180.030 177.210 2.820 1 1 1671 . 4 1 1 A 138 138 TYR CA C 138 62.400 62.426 -0.026 1 1 1672 . 4 1 1 A 138 138 TYR CB C 138 38.000 38.512 -0.512 1 1 1677 . 4 1 1 A 138 138 TYR N N 138 118.150 123.627 -5.477 1 1 1678 . 4 1 1 A 139 139 GLU H H 139 7.990 8.254 -0.264 1 1 1679 . 4 1 1 A 139 139 GLU HA H 139 3.520 3.819 -0.299 1 1 1684 . 4 1 1 A 139 139 GLU C C 139 179.170 179.348 -0.178 1 1 1685 . 4 1 1 A 139 139 GLU CA C 139 60.550 60.302 0.248 1 1 1686 . 4 1 1 A 139 139 GLU CB C 139 29.100 29.627 -0.527 1 1 1688 . 4 1 1 A 139 139 GLU N N 139 118.100 117.932 0.168 1 1 1689 . 4 1 1 A 140 140 GLU H H 140 8.640 8.159 0.481 1 1 1690 . 4 1 1 A 140 140 GLU HA H 140 3.780 4.076 -0.296 1 1 1695 . 4 1 1 A 140 140 GLU C C 140 181.440 178.975 2.465 1 1 1696 . 4 1 1 A 140 140 GLU CA C 140 58.800 59.131 -0.331 1 1 1697 . 4 1 1 A 140 140 GLU CB C 140 29.200 29.592 -0.392 1 1 1699 . 4 1 1 A 140 140 GLU N N 140 119.300 120.303 -1.003 1 1 1700 . 4 1 1 A 141 141 PHE H H 141 8.470 8.199 0.271 1 1 1701 . 4 1 1 A 141 141 PHE HA H 141 3.380 3.981 -0.601 1 1 1709 . 4 1 1 A 141 141 PHE C C 141 178.980 176.790 2.190 1 1 1710 . 4 1 1 A 141 141 PHE CA C 141 61.900 61.284 0.616 1 1 1711 . 4 1 1 A 141 141 PHE CB C 141 40.200 39.329 0.871 1 1 1717 . 4 1 1 A 141 141 PHE N N 141 123.640 121.896 1.744 1 1 1718 . 4 1 1 A 142 142 VAL H H 142 8.510 7.972 0.538 1 1 1719 . 4 1 1 A 142 142 VAL HA H 142 3.000 3.289 -0.289 1 1 1727 . 4 1 1 A 142 142 VAL C C 142 176.540 177.657 -1.117 1 1 1728 . 4 1 1 A 142 142 VAL CA C 142 66.900 66.280 0.620 1 1 1729 . 4 1 1 A 142 142 VAL CB C 142 31.450 31.369 0.081 1 1 1732 . 4 1 1 A 142 142 VAL N N 142 118.330 118.828 -0.498 1 1 1733 . 4 1 1 A 143 143 GLN H H 143 7.520 8.066 -0.546 1 1 1734 . 4 1 1 A 143 143 GLN HA H 143 3.750 3.922 -0.172 1 1 1741 . 4 1 1 A 143 143 GLN C C 143 176.630 178.255 -1.625 1 1 1742 . 4 1 1 A 143 143 GLN CA C 143 58.900 59.242 -0.342 1 1 1743 . 4 1 1 A 143 143 GLN CB C 143 28.200 28.168 0.032 1 1 1745 . 4 1 1 A 143 143 GLN N N 143 118.100 119.396 -1.296 1 1 1747 . 4 1 1 A 144 144 MET H H 144 7.250 7.795 -0.545 1 1 1748 . 4 1 1 A 144 144 MET HA H 144 4.090 4.237 -0.147 1 1 1756 . 4 1 1 A 144 144 MET C C 144 179.340 178.453 0.887 1 1 1757 . 4 1 1 A 144 144 MET CA C 144 56.750 57.623 -0.873 1 1 1758 . 4 1 1 A 144 144 MET CB C 144 30.800 31.714 -0.914 1 1 1761 . 4 1 1 A 144 144 MET N N 144 117.300 117.860 -0.560 1 1 1762 . 4 1 1 A 145 145 MET H H 145 7.460 7.815 -0.355 1 1 1763 . 4 1 1 A 145 145 MET HA H 145 3.900 3.989 -0.089 1 1 1771 . 4 1 1 A 145 145 MET C C 145 178.110 178.058 0.052 1 1 1772 . 4 1 1 A 145 145 MET CA C 145 56.800 57.843 -1.043 1 1 1773 . 4 1 1 A 145 145 MET CB C 145 31.800 32.962 -1.162 1 1 1776 . 4 1 1 A 145 145 MET N N 145 114.350 118.631 -4.281 1 1 1777 . 4 1 1 A 146 146 THR H H 146 7.560 7.651 -0.091 1 1 1778 . 4 1 1 A 146 146 THR HA H 146 4.220 4.517 -0.297 1 1 1783 . 4 1 1 A 146 146 THR C C 146 177.440 173.601 3.839 1 1 1784 . 4 1 1 A 146 146 THR CA C 146 62.650 61.487 1.163 1 1 1785 . 4 1 1 A 146 146 THR CB C 146 69.700 69.222 0.478 1 1 1787 . 4 1 1 A 146 146 THR N N 146 109.350 111.854 -2.504 1 1 1788 . 4 1 1 A 147 147 ALA H H 147 7.420 8.142 -0.722 1 1 1789 . 4 1 1 A 147 147 ALA HA H 147 4.170 4.941 -0.771 1 1 1793 . 4 1 1 A 147 147 ALA C C 147 177.480 176.860 0.620 1 1 1794 . 4 1 1 A 147 147 ALA CA C 147 52.900 50.571 2.329 1 1 1795 . 4 1 1 A 147 147 ALA CB C 147 19.200 20.317 -1.117 1 1 1796 . 4 1 1 A 147 147 ALA N N 147 125.650 124.669 0.981 1 1 1814 . 4 2 2 B 1 1 ARG H H 1088 8.270 7.976 0.294 1 1 1815 . 4 2 2 B 1 1 ARG HA H 1088 3.860 4.061 -0.201 1 1 1822 . 4 2 2 B 1 1 ARG CA C 1088 59.900 56.863 3.037 1 1 1823 . 4 2 2 B 1 1 ARG CB C 1088 29.900 28.791 1.109 1 1 1826 . 4 2 2 B 1 1 ARG N N 1088 117.300 118.952 -1.652 1 1 1827 . 4 2 2 B 2 2 GLY H H 1089 9.370 7.889 1.481 1 1 1828 . 4 2 2 B 2 2 GLY HA2 H 1089 3.520 3.953 -0.433 1 1 1829 . 4 2 2 B 2 2 GLY HA3 H 1089 3.730 3.984 -0.254 1 1 1830 . 4 2 2 B 2 2 GLY C C 1089 176.650 175.580 1.070 1 1 1831 . 4 2 2 B 2 2 GLY CA C 1089 47.200 46.534 0.666 1 1 1832 . 4 2 2 B 2 2 GLY N N 1089 105.000 109.673 -4.673 1 1 1833 . 4 2 2 B 3 3 GLN H H 1090 6.980 7.951 -0.971 1 1 1834 . 4 2 2 B 3 3 GLN HA H 1090 3.830 4.218 -0.388 1 1 1841 . 4 2 2 B 3 3 GLN C C 1090 177.680 178.576 -0.896 1 1 1842 . 4 2 2 B 3 3 GLN CA C 1090 59.100 58.834 0.266 1 1 1843 . 4 2 2 B 3 3 GLN CB C 1090 29.800 28.652 1.148 1 1 1845 . 4 2 2 B 3 3 GLN N N 1090 117.350 119.959 -2.609 1 1 1847 . 4 2 2 B 4 4 ILE H H 1091 7.760 7.548 0.212 1 1 1848 . 4 2 2 B 4 4 ILE HA H 1091 3.480 3.922 -0.442 1 1 1858 . 4 2 2 B 4 4 ILE C C 1091 175.070 177.808 -2.738 1 1 1859 . 4 2 2 B 4 4 ILE CA C 1091 65.600 64.665 0.935 1 1 1860 . 4 2 2 B 4 4 ILE CB C 1091 38.000 37.399 0.601 1 1 1864 . 4 2 2 B 4 4 ILE N N 1091 119.650 118.271 1.379 1 1 1865 . 4 2 2 B 5 5 LEU H H 1092 7.830 8.363 -0.533 1 1 1866 . 4 2 2 B 5 5 LEU HA H 1092 3.820 3.946 -0.126 1 1 1876 . 4 2 2 B 5 5 LEU C C 1092 176.220 179.416 -3.196 1 1 1877 . 4 2 2 B 5 5 LEU CA C 1092 58.250 58.390 -0.140 1 1 1878 . 4 2 2 B 5 5 LEU CB C 1092 41.700 41.940 -0.240 1 1 1882 . 4 2 2 B 5 5 LEU N N 1092 119.200 124.013 -4.813 1 1 1883 . 4 2 2 B 6 6 TRP H H 1093 7.650 8.023 -0.373 1 1 1884 . 4 2 2 B 6 6 TRP HA H 1093 4.120 4.251 -0.131 1 1 1893 . 4 2 2 B 6 6 TRP C C 1093 178.490 178.843 -0.353 1 1 1894 . 4 2 2 B 6 6 TRP CA C 1093 61.100 60.587 0.513 1 1 1895 . 4 2 2 B 6 6 TRP CB C 1093 30.000 29.310 0.690 1 1 1901 . 4 2 2 B 6 6 TRP N N 1093 119.200 118.696 0.504 1 1 1903 . 4 2 2 B 7 7 PHE H H 1094 8.400 8.437 -0.037 1 1 1904 . 4 2 2 B 7 7 PHE HA H 1094 4.390 4.192 0.198 1 1 1912 . 4 2 2 B 7 7 PHE C C 1094 178.840 178.050 0.790 1 1 1913 . 4 2 2 B 7 7 PHE CA C 1094 59.700 62.408 -2.708 1 1 1914 . 4 2 2 B 7 7 PHE CB C 1094 37.000 38.896 -1.896 1 1 1919 . 4 2 2 B 7 7 PHE N N 1094 117.800 118.553 -0.753 1 1 1920 . 4 2 2 B 8 8 ARG H H 1095 8.360 8.219 0.141 1 1 1921 . 4 2 2 B 8 8 ARG HA H 1095 4.140 4.072 0.068 1 1 1928 . 4 2 2 B 8 8 ARG C C 1095 178.290 179.113 -0.823 1 1 1929 . 4 2 2 B 8 8 ARG CA C 1095 59.600 59.769 -0.169 1 1 1930 . 4 2 2 B 8 8 ARG CB C 1095 30.500 30.202 0.298 1 1 1933 . 4 2 2 B 8 8 ARG N N 1095 120.800 120.028 0.772 1 1 1934 . 4 2 2 B 9 9 GLY H H 1096 8.330 8.278 0.052 1 1 1935 . 4 2 2 B 9 9 GLY HA2 H 1096 3.560 3.653 -0.093 1 1 1936 . 4 2 2 B 9 9 GLY HA3 H 1096 3.720 3.686 0.034 1 1 1937 . 4 2 2 B 9 9 GLY C C 1096 178.010 175.693 2.317 1 1 1938 . 4 2 2 B 9 9 GLY CA C 1096 47.200 47.340 -0.140 1 1 1939 . 4 2 2 B 9 9 GLY N N 1096 106.400 107.230 -0.830 1 1 1940 . 4 2 2 B 10 10 LEU H H 1097 9.090 7.827 1.263 1 1 1941 . 4 2 2 B 10 10 LEU HA H 1097 4.150 4.056 0.094 1 1 1951 . 4 2 2 B 10 10 LEU C C 1097 178.820 178.561 0.259 1 1 1952 . 4 2 2 B 10 10 LEU CA C 1097 58.500 57.370 1.130 1 1 1953 . 4 2 2 B 10 10 LEU CB C 1097 41.600 41.274 0.326 1 1 1957 . 4 2 2 B 10 10 LEU N N 1097 120.900 122.764 -1.864 1 1 1958 . 4 2 2 B 11 11 ASN H H 1098 8.380 8.623 -0.243 1 1 1959 . 4 2 2 B 11 11 ASN HA H 1098 4.440 4.512 -0.072 1 1 1964 . 4 2 2 B 11 11 ASN CA C 1098 56.700 56.645 0.055 1 1 1965 . 4 2 2 B 11 11 ASN CB C 1098 38.700 37.896 0.804 1 1 1966 . 4 2 2 B 11 11 ASN N N 1098 116.900 116.091 0.809 1 1 1968 . 4 2 2 B 12 12 ARG H H 1099 7.900 7.635 0.265 1 1 1969 . 4 2 2 B 12 12 ARG HA H 1099 3.980 4.099 -0.119 1 1 1976 . 4 2 2 B 12 12 ARG C C 1099 178.360 178.385 -0.025 1 1 1977 . 4 2 2 B 12 12 ARG CA C 1099 60.200 59.127 1.073 1 1 1978 . 4 2 2 B 12 12 ARG CB C 1099 32.600 30.019 2.581 1 1 1981 . 4 2 2 B 12 12 ARG N N 1099 120.100 119.232 0.868 1 1 1982 . 4 2 2 B 13 13 ILE H H 1100 8.230 7.999 0.231 1 1 1983 . 4 2 2 B 13 13 ILE HA H 1100 3.840 3.667 0.173 1 1 1993 . 4 2 2 B 13 13 ILE C C 1100 178.110 177.944 0.166 1 1 1994 . 4 2 2 B 13 13 ILE CA C 1100 63.800 65.463 -1.663 1 1 1995 . 4 2 2 B 13 13 ILE CB C 1100 37.300 37.542 -0.242 1 1 1999 . 4 2 2 B 13 13 ILE N N 1100 120.350 120.968 -0.618 1 1 2000 . 4 2 2 B 14 14 GLN H H 1101 8.830 7.794 1.036 1 1 2001 . 4 2 2 B 14 14 GLN HA H 1101 3.990 3.953 0.037 1 1 2008 . 4 2 2 B 14 14 GLN C C 1101 177.860 178.768 -0.908 1 1 2009 . 4 2 2 B 14 14 GLN CA C 1101 60.000 59.130 0.870 1 1 2010 . 4 2 2 B 14 14 GLN CB C 1101 28.800 28.358 0.442 1 1 2012 . 4 2 2 B 14 14 GLN N N 1101 118.700 117.953 0.747 1 1 2014 . 4 2 2 B 15 15 THR H H 1102 8.140 7.660 0.480 1 1 2015 . 4 2 2 B 15 15 THR HA H 1102 3.890 3.811 0.079 1 1 2020 . 4 2 2 B 15 15 THR C C 1102 177.470 176.574 0.896 1 1 2021 . 4 2 2 B 15 15 THR CA C 1102 67.400 67.638 -0.238 1 1 2022 . 4 2 2 B 15 15 THR CB C 1102 70.300 68.469 1.831 1 1 2024 . 4 2 2 B 15 15 THR N N 1102 117.500 117.523 -0.023 1 1 2025 . 4 2 2 B 16 16 GLN H H 1103 8.320 8.370 -0.050 1 1 2026 . 4 2 2 B 16 16 GLN HA H 1103 4.100 3.952 0.148 1 1 2033 . 4 2 2 B 16 16 GLN C C 1103 178.890 178.524 0.366 1 1 2034 . 4 2 2 B 16 16 GLN CA C 1103 60.600 59.268 1.332 1 1 2035 . 4 2 2 B 16 16 GLN CB C 1103 30.500 28.461 2.039 1 1 2037 . 4 2 2 B 16 16 GLN N N 1103 120.650 119.156 1.494 1 1 2039 . 4 2 2 B 17 17 ILE H H 1104 8.690 7.369 1.321 1 1 2040 . 4 2 2 B 17 17 ILE HA H 1104 3.470 3.994 -0.524 1 1 2050 . 4 2 2 B 17 17 ILE C C 1104 175.230 177.932 -2.702 1 1 2051 . 4 2 2 B 17 17 ILE CA C 1104 66.150 62.031 4.119 1 1 2052 . 4 2 2 B 17 17 ILE CB C 1104 38.300 37.997 0.303 1 1 2056 . 4 2 2 B 17 17 ILE N N 1104 119.400 120.125 -0.725 1 1 2057 . 4 2 2 B 18 18 LYS H H 1105 7.950 8.930 -0.980 1 1 2058 . 4 2 2 B 18 18 LYS HA H 1105 3.900 3.990 -0.090 1 1 2067 . 4 2 2 B 18 18 LYS C C 1105 177.660 178.626 -0.966 1 1 2068 . 4 2 2 B 18 18 LYS CA C 1105 60.050 59.818 0.232 1 1 2069 . 4 2 2 B 18 18 LYS CB C 1105 32.700 32.197 0.503 1 1 2073 . 4 2 2 B 18 18 LYS N N 1105 120.280 123.497 -3.217 1 1 2074 . 4 2 2 B 19 19 VAL H H 1106 8.280 7.640 0.640 1 1 2075 . 4 2 2 B 19 19 VAL HA H 1106 3.430 3.794 -0.364 1 1 2083 . 4 2 2 B 19 19 VAL C C 1106 177.660 178.359 -0.699 1 1 2084 . 4 2 2 B 19 19 VAL CA C 1106 65.900 66.627 -0.727 1 1 2085 . 4 2 2 B 19 19 VAL CB C 1106 31.400 31.791 -0.391 1 1 2088 . 4 2 2 B 19 19 VAL N N 1106 120.660 119.305 1.355 1 1 2089 . 4 2 2 B 20 20 VAL H H 1107 8.420 8.044 0.376 1 1 2090 . 4 2 2 B 20 20 VAL HA H 1107 3.580 3.937 -0.357 1 1 2098 . 4 2 2 B 20 20 VAL C C 1107 178.930 178.261 0.669 1 1 2099 . 4 2 2 B 20 20 VAL CA C 1107 68.390 66.027 2.363 1 1 2100 . 4 2 2 B 20 20 VAL CB C 1107 31.200 31.492 -0.292 1 1 2103 . 4 2 2 B 20 20 VAL N N 1107 119.990 116.474 3.516 1 1 2104 . 4 2 2 B 21 21 LYS H H 1108 8.300 8.162 0.138 1 1 2105 . 4 2 2 B 21 21 LYS HA H 1108 4.050 4.102 -0.052 1 1 2114 . 4 2 2 B 21 21 LYS C C 1108 177.230 178.910 -1.680 1 1 2115 . 4 2 2 B 21 21 LYS CA C 1108 59.980 59.767 0.213 1 1 2116 . 4 2 2 B 21 21 LYS CB C 1108 32.400 32.176 0.224 1 1 2120 . 4 2 2 B 21 21 LYS N N 1108 119.290 122.156 -2.866 1 1 2121 . 4 2 2 B 22 22 ALA H H 1109 7.690 8.095 -0.405 1 1 2122 . 4 2 2 B 22 22 ALA HA H 1109 3.900 4.186 -0.286 1 1 2126 . 4 2 2 B 22 22 ALA C C 1109 178.200 179.763 -1.563 1 1 2127 . 4 2 2 B 22 22 ALA CA C 1109 54.950 55.168 -0.218 1 1 2128 . 4 2 2 B 22 22 ALA CB C 1109 22.000 18.720 3.280 1 1 2129 . 4 2 2 B 22 22 ALA N N 1109 123.910 122.290 1.620 1 1 2130 . 4 2 2 B 23 23 PHE H H 1110 7.920 8.328 -0.408 1 1 2131 . 4 2 2 B 23 23 PHE HA H 1110 4.120 4.250 -0.130 1 1 2139 . 4 2 2 B 23 23 PHE C C 1110 178.840 178.313 0.527 1 1 2140 . 4 2 2 B 23 23 PHE CA C 1110 61.260 60.544 0.716 1 1 2141 . 4 2 2 B 23 23 PHE CB C 1110 40.200 39.019 1.181 1 1 2147 . 4 2 2 B 23 23 PHE N N 1110 118.200 115.650 2.550 1 1 2148 . 4 2 2 B 24 24 HIS H H 1111 7.960 7.612 0.348 1 1 2149 . 4 2 2 B 24 24 HIS HA H 1111 4.530 4.392 0.138 1 1 2155 . 4 2 2 B 24 24 HIS C C 1111 178.710 175.077 3.633 1 1 2156 . 4 2 2 B 24 24 HIS CA C 1111 57.200 60.046 -2.846 1 1 2157 . 4 2 2 B 24 24 HIS CB C 1111 30.200 29.770 0.430 1 1 2160 . 4 2 2 B 24 24 HIS N N 1111 117.760 117.529 0.231 1 1 2162 . 4 2 2 B 25 25 SER H H 1112 7.980 8.560 -0.580 1 1 2163 . 4 2 2 B 25 25 SER HA H 1112 4.340 4.007 0.333 1 1 2166 . 4 2 2 B 25 25 SER C C 1112 177.230 174.298 2.932 1 1 2167 . 4 2 2 B 25 25 SER CA C 1112 58.570 59.536 -0.966 1 1 2168 . 4 2 2 B 25 25 SER CB C 1112 63.800 61.486 2.314 1 1 2169 . 4 2 2 B 25 25 SER N N 1112 116.970 112.291 4.679 1 1 9 . 5 1 1 A 2 2 ASP H H 2 8.220 8.191 0.029 1 1 10 . 5 1 1 A 2 2 ASP HA H 2 4.500 4.472 0.028 1 1 13 . 5 1 1 A 2 2 ASP CA C 2 54.750 57.073 -2.323 1 1 14 . 5 1 1 A 2 2 ASP CB C 2 41.350 41.400 -0.050 1 1 15 . 5 1 1 A 2 2 ASP N N 2 121.760 116.893 4.867 1 1 16 . 5 1 1 A 3 3 GLN H H 3 8.320 7.550 0.770 1 1 17 . 5 1 1 A 3 3 GLN HA H 3 4.240 4.596 -0.356 1 1 24 . 5 1 1 A 3 3 GLN CA C 3 55.750 55.544 0.206 1 1 25 . 5 1 1 A 3 3 GLN CB C 3 29.700 30.794 -1.094 1 1 27 . 5 1 1 A 3 3 GLN N N 3 119.800 115.943 3.857 1 1 29 . 5 1 1 A 4 4 LEU H H 4 8.250 8.645 -0.395 1 1 30 . 5 1 1 A 4 4 LEU HA H 4 4.540 4.575 -0.035 1 1 40 . 5 1 1 A 4 4 LEU C C 4 175.740 176.537 -0.797 1 1 41 . 5 1 1 A 4 4 LEU CA C 4 54.600 54.491 0.109 1 1 42 . 5 1 1 A 4 4 LEU CB C 4 43.600 43.606 -0.006 1 1 46 . 5 1 1 A 4 4 LEU N N 4 123.100 127.455 -4.355 1 1 47 . 5 1 1 A 5 5 THR H H 5 8.680 7.294 1.386 1 1 48 . 5 1 1 A 5 5 THR HA H 5 4.350 4.356 -0.006 1 1 53 . 5 1 1 A 5 5 THR C C 5 175.750 175.581 0.169 1 1 54 . 5 1 1 A 5 5 THR CA C 5 60.500 63.696 -3.196 1 1 55 . 5 1 1 A 5 5 THR CB C 5 71.100 69.094 2.006 1 1 57 . 5 1 1 A 5 5 THR N N 5 112.700 114.337 -1.637 1 1 58 . 5 1 1 A 6 6 GLU H H 6 8.950 8.980 -0.030 1 1 59 . 5 1 1 A 6 6 GLU HA H 6 3.880 3.910 -0.030 1 1 64 . 5 1 1 A 6 6 GLU C C 6 177.790 178.437 -0.647 1 1 65 . 5 1 1 A 6 6 GLU CA C 6 60.200 60.100 0.100 1 1 66 . 5 1 1 A 6 6 GLU CB C 6 29.300 29.564 -0.264 1 1 68 . 5 1 1 A 6 6 GLU N N 6 119.950 126.820 -6.870 1 1 69 . 5 1 1 A 7 7 GLU H H 7 8.660 8.104 0.556 1 1 70 . 5 1 1 A 7 7 GLU HA H 7 3.940 3.991 -0.051 1 1 75 . 5 1 1 A 7 7 GLU C C 7 175.460 178.806 -3.346 1 1 76 . 5 1 1 A 7 7 GLU CA C 7 60.200 59.803 0.397 1 1 77 . 5 1 1 A 7 7 GLU CB C 7 29.100 29.411 -0.311 1 1 79 . 5 1 1 A 7 7 GLU N N 7 119.250 119.097 0.153 1 1 80 . 5 1 1 A 8 8 GLN H H 8 7.670 7.522 0.148 1 1 81 . 5 1 1 A 8 8 GLN HA H 8 3.760 4.208 -0.448 1 1 88 . 5 1 1 A 8 8 GLN C C 8 179.600 179.075 0.525 1 1 89 . 5 1 1 A 8 8 GLN CA C 8 58.800 58.757 0.043 1 1 90 . 5 1 1 A 8 8 GLN CB C 8 29.300 28.584 0.716 1 1 92 . 5 1 1 A 8 8 GLN N N 8 120.000 118.429 1.571 1 1 94 . 5 1 1 A 9 9 ILE H H 9 8.280 9.033 -0.753 1 1 95 . 5 1 1 A 9 9 ILE HA H 9 3.580 3.769 -0.189 1 1 105 . 5 1 1 A 9 9 ILE C C 9 179.270 177.932 1.338 1 1 106 . 5 1 1 A 9 9 ILE CA C 9 66.400 65.665 0.735 1 1 107 . 5 1 1 A 9 9 ILE CB C 9 38.100 37.875 0.225 1 1 111 . 5 1 1 A 9 9 ILE N N 9 119.400 121.485 -2.085 1 1 112 . 5 1 1 A 10 10 ALA H H 10 7.950 8.122 -0.172 1 1 113 . 5 1 1 A 10 10 ALA HA H 10 4.020 4.025 -0.005 1 1 117 . 5 1 1 A 10 10 ALA C C 10 178.490 179.187 -0.697 1 1 118 . 5 1 1 A 10 10 ALA CA C 10 55.400 55.876 -0.476 1 1 119 . 5 1 1 A 10 10 ALA CB C 10 17.950 18.274 -0.324 1 1 120 . 5 1 1 A 10 10 ALA N N 10 121.000 122.446 -1.446 1 1 121 . 5 1 1 A 11 11 GLU H H 11 7.730 8.064 -0.334 1 1 122 . 5 1 1 A 11 11 GLU HA H 11 4.030 4.068 -0.038 1 1 127 . 5 1 1 A 11 11 GLU C C 11 177.860 179.400 -1.540 1 1 128 . 5 1 1 A 11 11 GLU CA C 11 59.500 59.436 0.064 1 1 129 . 5 1 1 A 11 11 GLU CB C 11 29.500 29.530 -0.030 1 1 131 . 5 1 1 A 11 11 GLU N N 11 119.700 118.681 1.019 1 1 132 . 5 1 1 A 12 12 PHE H H 12 8.470 8.490 -0.020 1 1 133 . 5 1 1 A 12 12 PHE HA H 12 4.910 4.345 0.565 1 1 141 . 5 1 1 A 12 12 PHE C C 12 181.140 178.120 3.020 1 1 142 . 5 1 1 A 12 12 PHE CA C 12 59.200 61.564 -2.364 1 1 143 . 5 1 1 A 12 12 PHE CB C 12 37.700 38.652 -0.952 1 1 149 . 5 1 1 A 12 12 PHE N N 12 119.900 119.409 0.491 1 1 150 . 5 1 1 A 13 13 LYS H H 13 9.180 8.567 0.613 1 1 151 . 5 1 1 A 13 13 LYS HA H 13 3.860 3.833 0.027 1 1 160 . 5 1 1 A 13 13 LYS C C 13 180.730 178.534 2.196 1 1 161 . 5 1 1 A 13 13 LYS CA C 13 60.300 59.968 0.332 1 1 162 . 5 1 1 A 13 13 LYS CB C 13 31.900 32.626 -0.726 1 1 166 . 5 1 1 A 13 13 LYS N N 13 124.000 120.426 3.574 1 1 167 . 5 1 1 A 14 14 GLU H H 14 7.770 8.054 -0.284 1 1 168 . 5 1 1 A 14 14 GLU HA H 14 4.050 4.032 0.018 1 1 173 . 5 1 1 A 14 14 GLU C C 14 178.750 179.012 -0.262 1 1 174 . 5 1 1 A 14 14 GLU CA C 14 59.300 59.404 -0.104 1 1 175 . 5 1 1 A 14 14 GLU CB C 14 29.300 29.093 0.207 1 1 177 . 5 1 1 A 14 14 GLU N N 14 120.060 118.321 1.739 1 1 178 . 5 1 1 A 15 15 ALA H H 15 8.020 7.480 0.540 1 1 179 . 5 1 1 A 15 15 ALA HA H 15 4.110 4.128 -0.018 1 1 183 . 5 1 1 A 15 15 ALA C C 15 179.220 179.868 -0.648 1 1 184 . 5 1 1 A 15 15 ALA CA C 15 55.900 54.883 1.017 1 1 185 . 5 1 1 A 15 15 ALA CB C 15 18.430 18.038 0.392 1 1 186 . 5 1 1 A 15 15 ALA N N 15 121.660 122.643 -0.983 1 1 187 . 5 1 1 A 16 16 PHE H H 16 8.700 8.230 0.470 1 1 188 . 5 1 1 A 16 16 PHE HA H 16 3.190 3.596 -0.406 1 1 196 . 5 1 1 A 16 16 PHE C C 16 176.350 177.790 -1.440 1 1 197 . 5 1 1 A 16 16 PHE CA C 16 62.300 59.703 2.597 1 1 198 . 5 1 1 A 16 16 PHE CB C 16 39.800 37.975 1.825 1 1 204 . 5 1 1 A 16 16 PHE N N 16 118.400 116.497 1.903 1 1 205 . 5 1 1 A 17 17 SER H H 17 8.040 7.548 0.492 1 1 206 . 5 1 1 A 17 17 SER HA H 17 4.110 4.144 -0.034 1 1 209 . 5 1 1 A 17 17 SER C C 17 178.820 176.481 2.339 1 1 210 . 5 1 1 A 17 17 SER CA C 17 61.600 60.669 0.931 1 1 211 . 5 1 1 A 17 17 SER CB C 17 63.200 63.271 -0.071 1 1 212 . 5 1 1 A 17 17 SER N N 17 114.290 114.818 -0.528 1 1 213 . 5 1 1 A 18 18 LEU H H 18 7.440 7.279 0.161 1 1 214 . 5 1 1 A 18 18 LEU HA H 18 3.970 3.958 0.012 1 1 224 . 5 1 1 A 18 18 LEU C C 18 178.630 178.047 0.583 1 1 225 . 5 1 1 A 18 18 LEU CA C 18 56.800 57.445 -0.645 1 1 226 . 5 1 1 A 18 18 LEU CB C 18 42.600 41.658 0.942 1 1 230 . 5 1 1 A 18 18 LEU N N 18 118.200 121.335 -3.135 1 1 231 . 5 1 1 A 19 19 PHE H H 19 7.330 6.329 1.001 1 1 232 . 5 1 1 A 19 19 PHE HA H 19 3.950 4.652 -0.702 1 1 240 . 5 1 1 A 19 19 PHE C C 19 174.460 175.350 -0.890 1 1 241 . 5 1 1 A 19 19 PHE CA C 19 59.300 57.080 2.220 1 1 242 . 5 1 1 A 19 19 PHE CB C 19 41.800 39.673 2.127 1 1 248 . 5 1 1 A 19 19 PHE N N 19 114.900 112.611 2.289 1 1 249 . 5 1 1 A 20 20 ASP H H 20 7.780 6.953 0.827 1 1 250 . 5 1 1 A 20 20 ASP HA H 20 4.480 4.975 -0.495 1 1 253 . 5 1 1 A 20 20 ASP C C 20 176.700 175.816 0.884 1 1 254 . 5 1 1 A 20 20 ASP CA C 20 52.400 53.706 -1.306 1 1 255 . 5 1 1 A 20 20 ASP CB C 20 39.400 39.511 -0.111 1 1 256 . 5 1 1 A 20 20 ASP N N 20 117.700 122.302 -4.602 1 1 257 . 5 1 1 A 21 21 LYS H H 21 7.480 8.072 -0.592 1 1 258 . 5 1 1 A 21 21 LYS HA H 21 3.840 4.079 -0.239 1 1 267 . 5 1 1 A 21 21 LYS C C 21 175.550 177.675 -2.125 1 1 268 . 5 1 1 A 21 21 LYS CA C 21 58.300 59.249 -0.949 1 1 269 . 5 1 1 A 21 21 LYS CB C 21 32.600 32.810 -0.210 1 1 273 . 5 1 1 A 21 21 LYS N N 21 124.200 125.285 -1.085 1 1 274 . 5 1 1 A 22 22 ASP H H 22 7.910 7.964 -0.054 1 1 275 . 5 1 1 A 22 22 ASP HA H 22 4.460 4.640 -0.180 1 1 278 . 5 1 1 A 22 22 ASP C C 22 176.920 177.740 -0.820 1 1 279 . 5 1 1 A 22 22 ASP CA C 22 53.400 53.105 0.295 1 1 280 . 5 1 1 A 22 22 ASP CB C 22 39.800 39.787 0.013 1 1 281 . 5 1 1 A 22 22 ASP N N 22 113.500 114.324 -0.824 1 1 282 . 5 1 1 A 23 23 GLY H H 23 7.540 8.001 -0.461 1 1 283 . 5 1 1 A 23 23 GLY HA2 H 23 3.730 3.880 -0.150 1 1 284 . 5 1 1 A 23 23 GLY HA3 H 23 3.730 3.885 -0.155 1 1 285 . 5 1 1 A 23 23 GLY C C 23 178.030 175.154 2.876 1 1 286 . 5 1 1 A 23 23 GLY CA C 23 47.400 47.248 0.152 1 1 287 . 5 1 1 A 23 23 GLY N N 23 109.200 108.952 0.248 1 1 288 . 5 1 1 A 24 24 ASP H H 24 8.430 7.805 0.625 1 1 289 . 5 1 1 A 24 24 ASP HA H 24 4.410 4.587 -0.177 1 1 292 . 5 1 1 A 24 24 ASP C C 24 177.580 177.562 0.018 1 1 293 . 5 1 1 A 24 24 ASP CA C 24 53.770 53.583 0.187 1 1 294 . 5 1 1 A 24 24 ASP CB C 24 40.200 40.285 -0.085 1 1 295 . 5 1 1 A 24 24 ASP N N 24 120.700 120.593 0.107 1 1 296 . 5 1 1 A 25 25 GLY H H 25 10.370 9.485 0.885 1 1 297 . 5 1 1 A 25 25 GLY HA2 H 25 4.240 3.981 0.259 1 1 298 . 5 1 1 A 25 25 GLY HA3 H 25 3.610 4.003 -0.393 1 1 299 . 5 1 1 A 25 25 GLY C C 25 175.160 173.611 1.549 1 1 300 . 5 1 1 A 25 25 GLY CA C 25 45.300 45.486 -0.186 1 1 301 . 5 1 1 A 25 25 GLY N N 25 112.100 112.053 0.047 1 1 302 . 5 1 1 A 26 26 THR H H 26 8.060 7.728 0.332 1 1 303 . 5 1 1 A 26 26 THR HA H 26 5.430 5.005 0.425 1 1 308 . 5 1 1 A 26 26 THR C C 26 177.260 173.364 3.896 1 1 309 . 5 1 1 A 26 26 THR CA C 26 59.500 58.641 0.859 1 1 310 . 5 1 1 A 26 26 THR CB C 26 72.800 73.324 -0.524 1 1 312 . 5 1 1 A 26 26 THR N N 26 110.950 109.699 1.251 1 1 313 . 5 1 1 A 27 27 ILE H H 27 9.890 8.569 1.321 1 1 314 . 5 1 1 A 27 27 ILE HA H 27 4.680 4.860 -0.180 1 1 324 . 5 1 1 A 27 27 ILE C C 27 173.810 175.299 -1.489 1 1 325 . 5 1 1 A 27 27 ILE CA C 27 61.250 60.612 0.638 1 1 326 . 5 1 1 A 27 27 ILE CB C 27 40.700 38.506 2.194 1 1 330 . 5 1 1 A 27 27 ILE N N 27 125.400 124.417 0.983 1 1 331 . 5 1 1 A 28 28 THR H H 28 8.290 8.821 -0.531 1 1 332 . 5 1 1 A 28 28 THR HA H 28 4.680 4.864 -0.184 1 1 337 . 5 1 1 A 28 28 THR C C 28 173.550 176.285 -2.735 1 1 338 . 5 1 1 A 28 28 THR CA C 28 59.200 59.512 -0.312 1 1 339 . 5 1 1 A 28 28 THR CB C 28 72.600 71.269 1.331 1 1 341 . 5 1 1 A 28 28 THR N N 28 116.000 119.584 -3.584 1 1 342 . 5 1 1 A 29 29 THR H H 29 9.180 8.834 0.346 1 1 343 . 5 1 1 A 29 29 THR HA H 29 3.570 3.921 -0.351 1 1 348 . 5 1 1 A 29 29 THR C C 29 176.080 176.711 -0.631 1 1 349 . 5 1 1 A 29 29 THR CA C 29 66.100 66.398 -0.298 1 1 350 . 5 1 1 A 29 29 THR CB C 29 67.650 68.209 -0.559 1 1 352 . 5 1 1 A 29 29 THR N N 29 111.440 115.203 -3.763 1 1 353 . 5 1 1 A 30 30 LYS H H 30 7.340 8.051 -0.711 1 1 354 . 5 1 1 A 30 30 LYS HA H 30 3.960 3.926 0.034 1 1 363 . 5 1 1 A 30 30 LYS C C 30 176.660 179.047 -2.387 1 1 364 . 5 1 1 A 30 30 LYS CA C 30 59.100 59.666 -0.566 1 1 365 . 5 1 1 A 30 30 LYS CB C 30 32.700 32.189 0.511 1 1 369 . 5 1 1 A 30 30 LYS N N 30 120.350 121.693 -1.343 1 1 370 . 5 1 1 A 31 31 GLU H H 31 7.760 8.297 -0.537 1 1 371 . 5 1 1 A 31 31 GLU HA H 31 4.000 4.116 -0.116 1 1 376 . 5 1 1 A 31 31 GLU C C 31 177.230 179.025 -1.795 1 1 377 . 5 1 1 A 31 31 GLU CA C 31 59.600 58.985 0.615 1 1 378 . 5 1 1 A 31 31 GLU CB C 31 29.600 28.479 1.121 1 1 380 . 5 1 1 A 31 31 GLU N N 31 122.300 117.751 4.549 1 1 381 . 5 1 1 A 32 32 LEU H H 32 8.370 8.180 0.190 1 1 382 . 5 1 1 A 32 32 LEU HA H 32 4.060 3.888 0.172 1 1 392 . 5 1 1 A 32 32 LEU C C 32 179.400 178.577 0.823 1 1 393 . 5 1 1 A 32 32 LEU CA C 32 57.550 58.014 -0.464 1 1 394 . 5 1 1 A 32 32 LEU CB C 32 41.700 41.980 -0.280 1 1 398 . 5 1 1 A 32 32 LEU N N 32 120.100 123.053 -2.953 1 1 399 . 5 1 1 A 33 33 GLY H H 33 8.650 8.016 0.634 1 1 400 . 5 1 1 A 33 33 GLY HA2 H 33 3.450 3.859 -0.409 1 1 401 . 5 1 1 A 33 33 GLY HA3 H 33 3.800 3.861 -0.061 1 1 402 . 5 1 1 A 33 33 GLY C C 33 179.640 176.208 3.432 1 1 403 . 5 1 1 A 33 33 GLY CA C 33 48.300 47.538 0.762 1 1 404 . 5 1 1 A 33 33 GLY N N 33 105.700 106.224 -0.524 1 1 405 . 5 1 1 A 34 34 THR H H 34 8.070 7.887 0.183 1 1 406 . 5 1 1 A 34 34 THR HA H 34 3.790 4.011 -0.221 1 1 411 . 5 1 1 A 34 34 THR C C 34 178.670 176.021 2.649 1 1 412 . 5 1 1 A 34 34 THR CA C 34 67.300 67.064 0.236 1 1 413 . 5 1 1 A 34 34 THR CB C 34 68.700 68.628 0.072 1 1 415 . 5 1 1 A 34 34 THR N N 34 118.140 118.672 -0.532 1 1 416 . 5 1 1 A 35 35 VAL H H 35 7.510 7.784 -0.274 1 1 417 . 5 1 1 A 35 35 VAL HA H 35 3.480 3.551 -0.071 1 1 425 . 5 1 1 A 35 35 VAL C C 35 175.050 177.655 -2.605 1 1 426 . 5 1 1 A 35 35 VAL CA C 35 66.500 66.737 -0.237 1 1 427 . 5 1 1 A 35 35 VAL CB C 35 31.400 31.346 0.054 1 1 430 . 5 1 1 A 35 35 VAL N N 35 121.400 121.904 -0.504 1 1 431 . 5 1 1 A 36 36 MET H H 36 8.530 7.916 0.614 1 1 432 . 5 1 1 A 36 36 MET HA H 36 3.590 4.097 -0.507 1 1 440 . 5 1 1 A 36 36 MET C C 36 177.410 177.871 -0.461 1 1 441 . 5 1 1 A 36 36 MET CA C 36 61.900 58.556 3.344 1 1 442 . 5 1 1 A 36 36 MET CB C 36 32.600 31.004 1.596 1 1 445 . 5 1 1 A 36 36 MET N N 36 118.970 118.246 0.724 1 1 446 . 5 1 1 A 37 37 ARG H H 37 8.600 8.306 0.294 1 1 447 . 5 1 1 A 37 37 ARG HA H 37 4.720 4.107 0.613 1 1 454 . 5 1 1 A 37 37 ARG C C 37 179.250 178.605 0.645 1 1 455 . 5 1 1 A 37 37 ARG CA C 37 59.450 59.345 0.105 1 1 456 . 5 1 1 A 37 37 ARG CB C 37 30.200 30.068 0.132 1 1 459 . 5 1 1 A 37 37 ARG N N 37 118.400 120.280 -1.880 1 1 460 . 5 1 1 A 38 38 SER H H 38 7.830 7.671 0.159 1 1 461 . 5 1 1 A 38 38 SER HA H 38 4.240 4.348 -0.108 1 1 464 . 5 1 1 A 38 38 SER C C 38 178.480 176.126 2.354 1 1 465 . 5 1 1 A 38 38 SER CA C 38 62.100 60.783 1.317 1 1 466 . 5 1 1 A 38 38 SER CB C 38 63.400 62.984 0.416 1 1 467 . 5 1 1 A 38 38 SER N N 38 119.400 114.413 4.987 1 1 468 . 5 1 1 A 39 39 LEU H H 39 7.280 8.071 -0.791 1 1 469 . 5 1 1 A 39 39 LEU HA H 39 4.360 4.283 0.077 1 1 479 . 5 1 1 A 39 39 LEU C C 39 178.240 177.030 1.210 1 1 480 . 5 1 1 A 39 39 LEU CA C 39 54.300 55.054 -0.754 1 1 481 . 5 1 1 A 39 39 LEU CB C 39 42.100 42.320 -0.220 1 1 485 . 5 1 1 A 39 39 LEU N N 39 119.950 119.346 0.604 1 1 486 . 5 1 1 A 40 40 GLY H H 40 7.740 8.686 -0.946 1 1 487 . 5 1 1 A 40 40 GLY HA2 H 40 4.140 3.891 0.249 1 1 488 . 5 1 1 A 40 40 GLY HA3 H 40 3.650 3.902 -0.252 1 1 489 . 5 1 1 A 40 40 GLY C C 40 176.140 173.619 2.521 1 1 490 . 5 1 1 A 40 40 GLY CA C 40 45.300 45.943 -0.643 1 1 491 . 5 1 1 A 40 40 GLY N N 40 105.750 107.025 -1.275 1 1 492 . 5 1 1 A 41 41 GLN H H 41 7.710 7.920 -0.210 1 1 493 . 5 1 1 A 41 41 GLN HA H 41 4.360 4.872 -0.512 1 1 500 . 5 1 1 A 41 41 GLN C C 41 176.700 173.970 2.730 1 1 501 . 5 1 1 A 41 41 GLN CA C 41 54.900 53.791 1.109 1 1 502 . 5 1 1 A 41 41 GLN CB C 41 29.600 32.437 -2.837 1 1 504 . 5 1 1 A 41 41 GLN N N 41 118.400 119.083 -0.683 1 1 506 . 5 1 1 A 42 42 ASN H H 42 8.640 8.788 -0.148 1 1 507 . 5 1 1 A 42 42 ASN HA H 42 5.150 5.434 -0.284 1 1 512 . 5 1 1 A 42 42 ASN CA C 42 51.200 50.578 0.622 1 1 513 . 5 1 1 A 42 42 ASN CB C 42 39.500 38.796 0.704 1 1 514 . 5 1 1 A 42 42 ASN N N 42 115.610 116.707 -1.097 1 1 516 . 5 1 1 A 43 43 PRO HA H 43 4.540 4.626 -0.086 1 1 523 . 5 1 1 A 43 43 PRO C C 43 179.440 176.346 3.094 1 1 524 . 5 1 1 A 43 43 PRO CA C 43 62.450 62.539 -0.089 1 1 525 . 5 1 1 A 43 43 PRO CB C 43 31.500 32.161 -0.661 1 1 528 . 5 1 1 A 44 44 THR H H 44 8.660 8.471 0.189 1 1 529 . 5 1 1 A 44 44 THR HA H 44 4.340 4.552 -0.212 1 1 534 . 5 1 1 A 44 44 THR CA C 44 60.450 61.328 -0.878 1 1 535 . 5 1 1 A 44 44 THR CB C 44 71.400 69.895 1.505 1 1 537 . 5 1 1 A 44 44 THR N N 44 112.600 116.762 -4.162 1 1 538 . 5 1 1 A 45 45 GLU H H 45 8.720 9.086 -0.366 1 1 539 . 5 1 1 A 45 45 GLU HA H 45 3.870 3.900 -0.030 1 1 544 . 5 1 1 A 45 45 GLU C C 45 174.270 178.171 -3.901 1 1 545 . 5 1 1 A 45 45 GLU CA C 45 59.900 59.827 0.073 1 1 546 . 5 1 1 A 45 45 GLU CB C 45 29.200 29.264 -0.064 1 1 548 . 5 1 1 A 45 45 GLU N N 45 120.150 126.824 -6.674 1 1 549 . 5 1 1 A 46 46 ALA H H 46 8.200 8.333 -0.133 1 1 550 . 5 1 1 A 46 46 ALA HA H 46 3.980 4.034 -0.054 1 1 554 . 5 1 1 A 46 46 ALA C C 46 175.180 179.875 -4.695 1 1 555 . 5 1 1 A 46 46 ALA CA C 46 55.100 54.886 0.214 1 1 556 . 5 1 1 A 46 46 ALA CB C 46 18.300 18.243 0.057 1 1 557 . 5 1 1 A 46 46 ALA N N 46 120.450 121.455 -1.005 1 1 558 . 5 1 1 A 47 47 GLU H H 47 7.630 7.805 -0.175 1 1 559 . 5 1 1 A 47 47 GLU HA H 47 3.890 4.122 -0.232 1 1 564 . 5 1 1 A 47 47 GLU C C 47 179.020 179.024 -0.004 1 1 565 . 5 1 1 A 47 47 GLU CA C 47 59.500 58.872 0.628 1 1 566 . 5 1 1 A 47 47 GLU CB C 47 29.600 29.294 0.306 1 1 568 . 5 1 1 A 47 47 GLU N N 47 118.320 118.496 -0.176 1 1 569 . 5 1 1 A 48 48 LEU H H 48 7.880 8.196 -0.316 1 1 570 . 5 1 1 A 48 48 LEU HA H 48 3.790 3.981 -0.191 1 1 580 . 5 1 1 A 48 48 LEU C C 48 180.200 179.620 0.580 1 1 581 . 5 1 1 A 48 48 LEU CA C 48 58.150 57.879 0.271 1 1 582 . 5 1 1 A 48 48 LEU CB C 48 42.800 41.772 1.028 1 1 586 . 5 1 1 A 48 48 LEU N N 48 119.000 120.084 -1.084 1 1 587 . 5 1 1 A 49 49 GLN H H 49 8.080 7.762 0.318 1 1 588 . 5 1 1 A 49 49 GLN HA H 49 3.630 4.014 -0.384 1 1 595 . 5 1 1 A 49 49 GLN C C 49 177.680 178.272 -0.592 1 1 596 . 5 1 1 A 49 49 GLN CA C 49 58.600 58.902 -0.302 1 1 597 . 5 1 1 A 49 49 GLN CB C 49 28.500 28.573 -0.073 1 1 599 . 5 1 1 A 49 49 GLN N N 49 117.400 118.725 -1.325 1 1 601 . 5 1 1 A 50 50 ASP H H 50 7.960 8.205 -0.245 1 1 602 . 5 1 1 A 50 50 ASP HA H 50 4.300 4.328 -0.028 1 1 605 . 5 1 1 A 50 50 ASP C C 50 178.470 179.153 -0.683 1 1 606 . 5 1 1 A 50 50 ASP CA C 50 57.700 57.593 0.107 1 1 607 . 5 1 1 A 50 50 ASP CB C 50 40.600 40.561 0.039 1 1 608 . 5 1 1 A 50 50 ASP N N 50 119.050 119.982 -0.932 1 1 609 . 5 1 1 A 51 51 MET H H 51 7.750 8.324 -0.574 1 1 610 . 5 1 1 A 51 51 MET HA H 51 4.000 4.197 -0.197 1 1 618 . 5 1 1 A 51 51 MET C C 51 178.170 178.708 -0.538 1 1 619 . 5 1 1 A 51 51 MET CA C 51 59.500 58.432 1.068 1 1 620 . 5 1 1 A 51 51 MET CB C 51 34.700 32.941 1.759 1 1 623 . 5 1 1 A 51 51 MET N N 51 117.900 118.359 -0.459 1 1 624 . 5 1 1 A 52 52 ILE H H 52 7.580 7.901 -0.321 1 1 625 . 5 1 1 A 52 52 ILE HA H 52 3.620 3.539 0.081 1 1 635 . 5 1 1 A 52 52 ILE C C 52 178.690 177.789 0.901 1 1 636 . 5 1 1 A 52 52 ILE CA C 52 63.600 65.244 -1.644 1 1 637 . 5 1 1 A 52 52 ILE CB C 52 36.700 37.634 -0.934 1 1 641 . 5 1 1 A 52 52 ILE N N 52 116.850 119.118 -2.268 1 1 642 . 5 1 1 A 53 53 ASN H H 53 8.570 8.453 0.117 1 1 643 . 5 1 1 A 53 53 ASN HA H 53 4.310 4.424 -0.114 1 1 648 . 5 1 1 A 53 53 ASN CA C 53 56.400 56.472 -0.072 1 1 649 . 5 1 1 A 53 53 ASN CB C 53 38.300 38.009 0.291 1 1 650 . 5 1 1 A 53 53 ASN N N 53 116.900 118.081 -1.181 1 1 652 . 5 1 1 A 54 54 GLU H H 54 7.520 7.787 -0.267 1 1 653 . 5 1 1 A 54 54 GLU HA H 54 3.950 4.130 -0.180 1 1 658 . 5 1 1 A 54 54 GLU C C 54 178.070 178.514 -0.444 1 1 659 . 5 1 1 A 54 54 GLU CA C 54 59.000 58.922 0.078 1 1 660 . 5 1 1 A 54 54 GLU CB C 54 29.800 29.585 0.215 1 1 662 . 5 1 1 A 54 54 GLU N N 54 115.650 119.628 -3.978 1 1 663 . 5 1 1 A 55 55 VAL H H 55 7.020 7.219 -0.199 1 1 664 . 5 1 1 A 55 55 VAL HA H 55 4.110 4.011 0.099 1 1 672 . 5 1 1 A 55 55 VAL C C 55 177.890 176.407 1.483 1 1 673 . 5 1 1 A 55 55 VAL CA C 55 61.210 64.642 -3.432 1 1 674 . 5 1 1 A 55 55 VAL CB C 55 33.100 32.149 0.951 1 1 677 . 5 1 1 A 55 55 VAL N N 55 111.500 119.353 -7.853 1 1 678 . 5 1 1 A 56 56 ASP H H 56 7.460 7.878 -0.418 1 1 679 . 5 1 1 A 56 56 ASP HA H 56 4.360 4.628 -0.268 1 1 682 . 5 1 1 A 56 56 ASP C C 56 177.620 176.765 0.855 1 1 683 . 5 1 1 A 56 56 ASP CA C 56 53.550 53.396 0.154 1 1 684 . 5 1 1 A 56 56 ASP CB C 56 40.600 40.082 0.518 1 1 685 . 5 1 1 A 56 56 ASP N N 56 121.330 121.759 -0.429 1 1 686 . 5 1 1 A 57 57 ALA H H 57 7.780 8.173 -0.393 1 1 687 . 5 1 1 A 57 57 ALA HA H 57 4.080 4.030 0.050 1 1 691 . 5 1 1 A 57 57 ALA C C 57 175.320 178.243 -2.923 1 1 692 . 5 1 1 A 57 57 ALA CA C 57 55.000 55.161 -0.161 1 1 693 . 5 1 1 A 57 57 ALA CB C 57 19.800 18.555 1.245 1 1 694 . 5 1 1 A 57 57 ALA N N 57 130.400 128.274 2.126 1 1 695 . 5 1 1 A 58 58 ASP H H 58 8.140 8.021 0.119 1 1 696 . 5 1 1 A 58 58 ASP HA H 58 4.540 4.594 -0.054 1 1 699 . 5 1 1 A 58 58 ASP C C 58 176.130 177.569 -1.439 1 1 700 . 5 1 1 A 58 58 ASP CA C 58 52.950 53.137 -0.187 1 1 701 . 5 1 1 A 58 58 ASP CB C 58 40.100 40.051 0.049 1 1 702 . 5 1 1 A 58 58 ASP N N 58 113.200 113.098 0.102 1 1 703 . 5 1 1 A 59 59 GLY H H 59 7.530 7.764 -0.234 1 1 704 . 5 1 1 A 59 59 GLY HA2 H 59 3.700 3.912 -0.212 1 1 705 . 5 1 1 A 59 59 GLY HA3 H 59 3.820 3.913 -0.093 1 1 706 . 5 1 1 A 59 59 GLY C C 59 178.830 175.280 3.550 1 1 707 . 5 1 1 A 59 59 GLY CA C 59 47.450 47.009 0.441 1 1 708 . 5 1 1 A 59 59 GLY N N 59 108.180 109.258 -1.078 1 1 709 . 5 1 1 A 60 60 ASN H H 60 8.080 8.091 -0.011 1 1 710 . 5 1 1 A 60 60 ASN HA H 60 4.500 4.681 -0.181 1 1 715 . 5 1 1 A 60 60 ASN CA C 60 52.900 52.630 0.270 1 1 716 . 5 1 1 A 60 60 ASN CB C 60 37.900 37.841 0.059 1 1 717 . 5 1 1 A 60 60 ASN N N 60 118.700 118.522 0.178 1 1 719 . 5 1 1 A 61 61 GLY H H 61 10.640 10.185 0.455 1 1 720 . 5 1 1 A 61 61 GLY HA2 H 61 3.370 3.886 -0.516 1 1 721 . 5 1 1 A 61 61 GLY HA3 H 61 4.190 3.889 0.301 1 1 722 . 5 1 1 A 61 61 GLY C C 61 174.970 173.455 1.515 1 1 723 . 5 1 1 A 61 61 GLY CA C 61 45.300 45.310 -0.010 1 1 724 . 5 1 1 A 61 61 GLY N N 61 113.400 112.078 1.322 1 1 725 . 5 1 1 A 62 62 THR H H 62 7.550 7.586 -0.036 1 1 726 . 5 1 1 A 62 62 THR HA H 62 4.620 4.939 -0.319 1 1 731 . 5 1 1 A 62 62 THR C C 62 176.870 172.685 4.185 1 1 732 . 5 1 1 A 62 62 THR CA C 62 59.550 59.708 -0.158 1 1 733 . 5 1 1 A 62 62 THR CB C 62 72.500 72.660 -0.160 1 1 735 . 5 1 1 A 62 62 THR N N 62 107.860 109.828 -1.968 1 1 736 . 5 1 1 A 63 63 ILE H H 63 8.790 8.527 0.263 1 1 737 . 5 1 1 A 63 63 ILE HA H 63 5.280 4.990 0.290 1 1 747 . 5 1 1 A 63 63 ILE C C 63 173.250 175.462 -2.212 1 1 748 . 5 1 1 A 63 63 ILE CA C 63 57.600 59.836 -2.236 1 1 749 . 5 1 1 A 63 63 ILE CB C 63 39.400 39.693 -0.293 1 1 753 . 5 1 1 A 63 63 ILE N N 63 123.900 121.400 2.500 1 1 754 . 5 1 1 A 64 64 ASP H H 64 8.720 8.718 0.002 1 1 755 . 5 1 1 A 64 64 ASP HA H 64 5.350 5.176 0.174 1 1 758 . 5 1 1 A 64 64 ASP C C 64 172.850 176.314 -3.464 1 1 759 . 5 1 1 A 64 64 ASP CA C 64 52.100 52.298 -0.198 1 1 760 . 5 1 1 A 64 64 ASP CB C 64 42.150 42.199 -0.049 1 1 761 . 5 1 1 A 64 64 ASP N N 64 127.860 128.072 -0.212 1 1 762 . 5 1 1 A 65 65 PHE H H 65 8.840 9.184 -0.344 1 1 763 . 5 1 1 A 65 65 PHE HA H 65 3.890 4.842 -0.952 1 1 771 . 5 1 1 A 65 65 PHE C C 65 175.750 174.671 1.079 1 1 772 . 5 1 1 A 65 65 PHE CA C 65 63.300 63.674 -0.374 1 1 773 . 5 1 1 A 65 65 PHE CB C 65 36.100 37.510 -1.410 1 1 779 . 5 1 1 A 65 65 PHE N N 65 117.500 119.353 -1.853 1 1 780 . 5 1 1 A 66 66 PRO HA H 66 3.770 4.358 -0.588 1 1 787 . 5 1 1 A 66 66 PRO C C 66 175.840 179.544 -3.704 1 1 788 . 5 1 1 A 66 66 PRO CA C 66 67.100 66.463 0.637 1 1 789 . 5 1 1 A 66 66 PRO CB C 66 30.700 30.864 -0.164 1 1 792 . 5 1 1 A 67 67 GLU H H 67 8.340 8.800 -0.460 1 1 793 . 5 1 1 A 67 67 GLU HA H 67 3.920 4.117 -0.197 1 1 798 . 5 1 1 A 67 67 GLU CA C 67 59.400 59.208 0.192 1 1 799 . 5 1 1 A 67 67 GLU CB C 67 29.650 29.263 0.387 1 1 801 . 5 1 1 A 67 67 GLU N N 67 117.850 118.013 -0.163 1 1 802 . 5 1 1 A 68 68 PHE H H 68 8.630 8.212 0.418 1 1 803 . 5 1 1 A 68 68 PHE HA H 68 3.670 4.170 -0.500 1 1 811 . 5 1 1 A 68 68 PHE C C 68 174.810 177.650 -2.840 1 1 812 . 5 1 1 A 68 68 PHE CA C 68 61.400 61.351 0.049 1 1 813 . 5 1 1 A 68 68 PHE CB C 68 40.700 39.255 1.445 1 1 819 . 5 1 1 A 68 68 PHE N N 68 123.200 123.233 -0.033 1 1 820 . 5 1 1 A 69 69 LEU H H 69 8.800 8.756 0.044 1 1 821 . 5 1 1 A 69 69 LEU HA H 69 3.130 3.972 -0.842 1 1 831 . 5 1 1 A 69 69 LEU C C 69 179.310 179.122 0.188 1 1 832 . 5 1 1 A 69 69 LEU CA C 69 58.000 58.284 -0.284 1 1 833 . 5 1 1 A 69 69 LEU CB C 69 41.550 41.729 -0.179 1 1 837 . 5 1 1 A 69 69 LEU N N 69 119.930 120.062 -0.132 1 1 838 . 5 1 1 A 70 70 THR H H 70 7.550 8.042 -0.492 1 1 839 . 5 1 1 A 70 70 THR HA H 70 3.530 4.029 -0.499 1 1 844 . 5 1 1 A 70 70 THR C C 70 180.360 177.211 3.149 1 1 845 . 5 1 1 A 70 70 THR CA C 70 66.700 65.472 1.228 1 1 846 . 5 1 1 A 70 70 THR CB C 70 68.500 68.049 0.451 1 1 848 . 5 1 1 A 70 70 THR N N 70 114.730 111.633 3.097 1 1 849 . 5 1 1 A 71 71 MET H H 71 7.000 8.029 -1.029 1 1 850 . 5 1 1 A 71 71 MET HA H 71 3.640 4.134 -0.494 1 1 858 . 5 1 1 A 71 71 MET C C 71 176.750 178.393 -1.643 1 1 859 . 5 1 1 A 71 71 MET CA C 71 58.800 58.167 0.633 1 1 860 . 5 1 1 A 71 71 MET CB C 71 32.000 31.928 0.072 1 1 863 . 5 1 1 A 71 71 MET N N 71 119.750 120.712 -0.962 1 1 864 . 5 1 1 A 72 72 MET H H 72 7.810 8.013 -0.203 1 1 865 . 5 1 1 A 72 72 MET HA H 72 3.880 4.179 -0.299 1 1 873 . 5 1 1 A 72 72 MET C C 72 174.850 178.229 -3.379 1 1 874 . 5 1 1 A 72 72 MET CA C 72 55.100 59.047 -3.947 1 1 875 . 5 1 1 A 72 72 MET CB C 72 28.900 33.114 -4.214 1 1 878 . 5 1 1 A 72 72 MET N N 72 115.300 118.553 -3.253 1 1 879 . 5 1 1 A 73 73 ALA H H 73 7.880 8.163 -0.283 1 1 880 . 5 1 1 A 73 73 ALA HA H 73 3.990 3.981 0.009 1 1 884 . 5 1 1 A 73 73 ALA C C 73 177.940 178.887 -0.947 1 1 885 . 5 1 1 A 73 73 ALA CA C 73 53.900 55.284 -1.384 1 1 886 . 5 1 1 A 73 73 ALA CB C 73 18.600 18.340 0.260 1 1 887 . 5 1 1 A 73 73 ALA N N 73 120.000 120.999 -0.999 1 1 888 . 5 1 1 A 74 74 ARG H H 74 7.050 7.272 -0.222 1 1 889 . 5 1 1 A 74 74 ARG HA H 74 4.040 4.332 -0.292 1 1 896 . 5 1 1 A 74 74 ARG C C 74 178.910 176.984 1.926 1 1 897 . 5 1 1 A 74 74 ARG CA C 74 57.400 56.716 0.684 1 1 898 . 5 1 1 A 74 74 ARG CB C 74 30.900 30.610 0.290 1 1 901 . 5 1 1 A 74 74 ARG N N 74 115.850 115.633 0.217 1 1 902 . 5 1 1 A 75 75 LYS H H 75 7.820 7.646 0.174 1 1 903 . 5 1 1 A 75 75 LYS HA H 75 4.200 4.316 -0.116 1 1 912 . 5 1 1 A 75 75 LYS C C 75 178.770 176.603 2.167 1 1 913 . 5 1 1 A 75 75 LYS CA C 75 55.900 55.186 0.714 1 1 914 . 5 1 1 A 75 75 LYS CB C 75 32.600 30.888 1.712 1 1 918 . 5 1 1 A 75 75 LYS N N 75 119.600 120.908 -1.308 1 1 919 . 5 1 1 A 76 76 MET H H 76 8.100 8.254 -0.154 1 1 920 . 5 1 1 A 76 76 MET HA H 76 4.300 4.851 -0.551 1 1 928 . 5 1 1 A 76 76 MET C C 76 176.990 175.907 1.083 1 1 929 . 5 1 1 A 76 76 MET CA C 76 55.800 53.955 1.845 1 1 930 . 5 1 1 A 76 76 MET CB C 76 33.800 32.868 0.932 1 1 933 . 5 1 1 A 76 76 MET N N 76 122.300 125.166 -2.866 1 1 934 . 5 1 1 A 77 77 LYS H H 77 8.150 7.600 0.550 1 1 935 . 5 1 1 A 77 77 LYS HA H 77 4.210 4.102 0.108 1 1 944 . 5 1 1 A 77 77 LYS C C 77 176.890 175.900 0.990 1 1 945 . 5 1 1 A 77 77 LYS CA C 77 56.100 56.920 -0.820 1 1 946 . 5 1 1 A 77 77 LYS CB C 77 33.000 32.876 0.124 1 1 950 . 5 1 1 A 77 77 LYS N N 77 121.300 122.354 -1.054 1 1 951 . 5 1 1 A 78 78 ASP H H 78 8.240 8.618 -0.378 1 1 952 . 5 1 1 A 78 78 ASP HA H 78 4.500 4.909 -0.409 1 1 955 . 5 1 1 A 78 78 ASP C C 78 176.090 175.495 0.595 1 1 956 . 5 1 1 A 78 78 ASP CA C 78 54.700 53.827 0.873 1 1 957 . 5 1 1 A 78 78 ASP CB C 78 41.300 41.670 -0.370 1 1 958 . 5 1 1 A 78 78 ASP N N 78 122.200 125.699 -3.499 1 1 959 . 5 1 1 A 79 79 THR H H 79 8.150 8.509 -0.359 1 1 960 . 5 1 1 A 79 79 THR HA H 79 4.220 4.998 -0.778 1 1 965 . 5 1 1 A 79 79 THR C C 79 176.240 173.465 2.775 1 1 966 . 5 1 1 A 79 79 THR CA C 79 61.500 60.676 0.824 1 1 967 . 5 1 1 A 79 79 THR CB C 79 70.300 69.935 0.365 1 1 969 . 5 1 1 A 79 79 THR N N 79 114.940 116.164 -1.224 1 1 970 . 5 1 1 A 80 80 ASP H H 80 8.480 8.874 -0.394 1 1 971 . 5 1 1 A 80 80 ASP HA H 80 4.600 4.683 -0.083 1 1 974 . 5 1 1 A 80 80 ASP C C 80 176.230 176.814 -0.584 1 1 975 . 5 1 1 A 80 80 ASP CA C 80 54.100 54.654 -0.554 1 1 976 . 5 1 1 A 80 80 ASP CB C 80 41.600 40.685 0.915 1 1 977 . 5 1 1 A 80 80 ASP N N 80 123.800 125.661 -1.861 1 1 978 . 5 1 1 A 81 81 SER H H 81 8.500 9.013 -0.513 1 1 979 . 5 1 1 A 81 81 SER HA H 81 4.220 4.095 0.125 1 1 982 . 5 1 1 A 81 81 SER C C 81 173.900 176.252 -2.352 1 1 983 . 5 1 1 A 81 81 SER CA C 81 60.400 61.824 -1.424 1 1 984 . 5 1 1 A 81 81 SER CB C 81 63.700 62.707 0.993 1 1 985 . 5 1 1 A 81 81 SER N N 81 118.450 119.318 -0.868 1 1 986 . 5 1 1 A 82 82 GLU H H 82 8.430 8.021 0.409 1 1 987 . 5 1 1 A 82 82 GLU HA H 82 4.010 4.106 -0.096 1 1 992 . 5 1 1 A 82 82 GLU C C 82 176.370 178.787 -2.417 1 1 993 . 5 1 1 A 82 82 GLU CA C 82 59.100 58.836 0.264 1 1 994 . 5 1 1 A 82 82 GLU CB C 82 29.600 29.349 0.251 1 1 996 . 5 1 1 A 82 82 GLU N N 82 121.850 121.823 0.027 1 1 997 . 5 1 1 A 83 83 GLU H H 83 8.020 8.847 -0.827 1 1 998 . 5 1 1 A 83 83 GLU HA H 83 4.040 4.035 0.005 1 1 1003 . 5 1 1 A 83 83 GLU C C 83 175.890 178.854 -2.964 1 1 1004 . 5 1 1 A 83 83 GLU CA C 83 58.800 59.515 -0.715 1 1 1005 . 5 1 1 A 83 83 GLU CB C 83 29.400 29.226 0.174 1 1 1007 . 5 1 1 A 83 83 GLU N N 83 119.470 119.478 -0.008 1 1 1008 . 5 1 1 A 84 84 GLU H H 84 7.930 7.850 0.080 1 1 1009 . 5 1 1 A 84 84 GLU HA H 84 4.150 4.179 -0.029 1 1 1014 . 5 1 1 A 84 84 GLU C C 84 176.160 179.452 -3.292 1 1 1015 . 5 1 1 A 84 84 GLU CA C 84 59.400 58.809 0.591 1 1 1016 . 5 1 1 A 84 84 GLU CB C 84 29.600 29.504 0.096 1 1 1018 . 5 1 1 A 84 84 GLU N N 84 118.310 119.374 -1.064 1 1 1019 . 5 1 1 A 85 85 ILE H H 85 7.880 7.982 -0.102 1 1 1020 . 5 1 1 A 85 85 ILE HA H 85 3.880 3.710 0.170 1 1 1030 . 5 1 1 A 85 85 ILE C C 85 179.870 177.737 2.133 1 1 1031 . 5 1 1 A 85 85 ILE CA C 85 65.400 64.946 0.454 1 1 1032 . 5 1 1 A 85 85 ILE CB C 85 37.400 37.675 -0.275 1 1 1036 . 5 1 1 A 85 85 ILE N N 85 120.900 120.753 0.147 1 1 1037 . 5 1 1 A 86 86 ARG H H 86 7.990 7.892 0.098 1 1 1038 . 5 1 1 A 86 86 ARG HA H 86 4.030 4.002 0.028 1 1 1045 . 5 1 1 A 86 86 ARG C C 86 180.520 179.285 1.235 1 1 1046 . 5 1 1 A 86 86 ARG CA C 86 60.200 60.086 0.114 1 1 1047 . 5 1 1 A 86 86 ARG CB C 86 29.800 30.139 -0.339 1 1 1050 . 5 1 1 A 86 86 ARG N N 86 121.000 119.535 1.465 1 1 1051 . 5 1 1 A 87 87 GLU H H 87 8.350 8.442 -0.092 1 1 1052 . 5 1 1 A 87 87 GLU HA H 87 3.900 4.082 -0.182 1 1 1057 . 5 1 1 A 87 87 GLU C C 87 177.380 179.601 -2.221 1 1 1058 . 5 1 1 A 87 87 GLU CA C 87 59.600 59.419 0.181 1 1 1059 . 5 1 1 A 87 87 GLU CB C 87 29.500 29.824 -0.324 1 1 1061 . 5 1 1 A 87 87 GLU N N 87 117.860 119.591 -1.731 1 1 1062 . 5 1 1 A 88 88 ALA H H 88 7.880 7.811 0.069 1 1 1063 . 5 1 1 A 88 88 ALA HA H 88 4.060 4.252 -0.192 1 1 1067 . 5 1 1 A 88 88 ALA C C 88 178.580 179.701 -1.121 1 1 1068 . 5 1 1 A 88 88 ALA CA C 88 55.200 54.743 0.457 1 1 1069 . 5 1 1 A 88 88 ALA CB C 88 17.900 18.415 -0.515 1 1 1070 . 5 1 1 A 88 88 ALA N N 88 120.100 122.464 -2.364 1 1 1071 . 5 1 1 A 89 89 PHE H H 89 8.550 7.876 0.674 1 1 1072 . 5 1 1 A 89 89 PHE HA H 89 4.000 3.720 0.280 1 1 1080 . 5 1 1 A 89 89 PHE C C 89 179.770 177.635 2.135 1 1 1081 . 5 1 1 A 89 89 PHE CA C 89 61.800 61.359 0.441 1 1 1082 . 5 1 1 A 89 89 PHE CB C 89 39.130 38.968 0.162 1 1 1088 . 5 1 1 A 89 89 PHE N N 89 118.760 119.345 -0.585 1 1 1089 . 5 1 1 A 90 90 ARG H H 90 7.750 7.831 -0.081 1 1 1090 . 5 1 1 A 90 90 ARG HA H 90 3.760 3.895 -0.135 1 1 1097 . 5 1 1 A 90 90 ARG C C 90 179.090 179.025 0.065 1 1 1098 . 5 1 1 A 90 90 ARG CA C 90 58.800 59.443 -0.643 1 1 1099 . 5 1 1 A 90 90 ARG CB C 90 30.500 29.916 0.584 1 1 1102 . 5 1 1 A 90 90 ARG N N 90 115.100 117.802 -2.702 1 1 1103 . 5 1 1 A 91 91 VAL H H 91 7.270 7.559 -0.289 1 1 1104 . 5 1 1 A 91 91 VAL HA H 91 3.360 3.553 -0.193 1 1 1112 . 5 1 1 A 91 91 VAL C C 91 179.060 178.016 1.044 1 1 1113 . 5 1 1 A 91 91 VAL CA C 91 66.050 66.371 -0.321 1 1 1114 . 5 1 1 A 91 91 VAL CB C 91 31.200 31.745 -0.545 1 1 1117 . 5 1 1 A 91 91 VAL N N 91 117.450 120.490 -3.040 1 1 1118 . 5 1 1 A 92 92 PHE H H 92 7.000 7.745 -0.745 1 1 1119 . 5 1 1 A 92 92 PHE HA H 92 4.070 4.142 -0.072 1 1 1127 . 5 1 1 A 92 92 PHE C C 92 177.490 176.334 1.156 1 1 1128 . 5 1 1 A 92 92 PHE CA C 92 60.700 59.842 0.858 1 1 1129 . 5 1 1 A 92 92 PHE CB C 92 38.000 39.459 -1.459 1 1 1135 . 5 1 1 A 92 92 PHE N N 92 114.400 118.383 -3.983 1 1 1136 . 5 1 1 A 93 93 ASP H H 93 7.870 8.160 -0.290 1 1 1137 . 5 1 1 A 93 93 ASP HA H 93 4.450 4.446 0.004 1 1 1140 . 5 1 1 A 93 93 ASP C C 93 176.830 176.220 0.610 1 1 1141 . 5 1 1 A 93 93 ASP CA C 93 52.300 52.402 -0.102 1 1 1142 . 5 1 1 A 93 93 ASP CB C 93 38.800 39.239 -0.439 1 1 1143 . 5 1 1 A 93 93 ASP N N 93 115.100 117.077 -1.977 1 1 1144 . 5 1 1 A 94 94 LYS H H 94 7.510 7.766 -0.256 1 1 1145 . 5 1 1 A 94 94 LYS HA H 94 3.770 3.766 0.004 1 1 1154 . 5 1 1 A 94 94 LYS C C 94 176.650 177.636 -0.986 1 1 1155 . 5 1 1 A 94 94 LYS CA C 94 59.400 59.997 -0.597 1 1 1156 . 5 1 1 A 94 94 LYS CB C 94 32.800 32.069 0.731 1 1 1160 . 5 1 1 A 94 94 LYS N N 94 124.250 126.522 -2.272 1 1 1161 . 5 1 1 A 95 95 ASP H H 95 8.190 7.530 0.660 1 1 1162 . 5 1 1 A 95 95 ASP HA H 95 4.430 4.592 -0.162 1 1 1165 . 5 1 1 A 95 95 ASP C C 95 177.580 177.617 -0.037 1 1 1166 . 5 1 1 A 95 95 ASP CA C 95 53.600 53.176 0.424 1 1 1167 . 5 1 1 A 95 95 ASP CB C 95 39.900 39.932 -0.032 1 1 1168 . 5 1 1 A 95 95 ASP N N 95 113.600 114.990 -1.390 1 1 1169 . 5 1 1 A 96 96 GLY H H 96 7.770 7.687 0.083 1 1 1170 . 5 1 1 A 96 96 GLY HA2 H 96 3.750 3.895 -0.145 1 1 1171 . 5 1 1 A 96 96 GLY HA3 H 96 3.750 3.908 -0.158 1 1 1172 . 5 1 1 A 96 96 GLY C C 96 178.400 175.503 2.897 1 1 1173 . 5 1 1 A 96 96 GLY CA C 96 47.100 47.022 0.078 1 1 1174 . 5 1 1 A 96 96 GLY N N 96 108.900 109.099 -0.199 1 1 1175 . 5 1 1 A 97 97 ASN H H 97 8.270 8.054 0.216 1 1 1176 . 5 1 1 A 97 97 ASN HA H 97 4.520 4.779 -0.259 1 1 1181 . 5 1 1 A 97 97 ASN CA C 97 52.900 52.402 0.498 1 1 1182 . 5 1 1 A 97 97 ASN CB C 97 38.100 38.165 -0.065 1 1 1183 . 5 1 1 A 97 97 ASN N N 97 119.460 118.928 0.532 1 1 1185 . 5 1 1 A 98 98 GLY H H 98 10.660 9.691 0.969 1 1 1186 . 5 1 1 A 98 98 GLY HA2 H 98 3.330 3.842 -0.512 1 1 1187 . 5 1 1 A 98 98 GLY HA3 H 98 3.960 3.952 0.008 1 1 1188 . 5 1 1 A 98 98 GLY C C 98 178.360 172.900 5.460 1 1 1189 . 5 1 1 A 98 98 GLY CA C 98 45.800 45.436 0.364 1 1 1190 . 5 1 1 A 98 98 GLY N N 98 112.700 111.823 0.877 1 1 1191 . 5 1 1 A 99 99 TYR H H 99 7.570 8.129 -0.559 1 1 1192 . 5 1 1 A 99 99 TYR HA H 99 4.850 5.330 -0.480 1 1 1199 . 5 1 1 A 99 99 TYR C C 99 176.090 175.047 1.043 1 1 1200 . 5 1 1 A 99 99 TYR CA C 99 56.250 56.046 0.204 1 1 1201 . 5 1 1 A 99 99 TYR CB C 99 42.700 43.152 -0.452 1 1 1206 . 5 1 1 A 99 99 TYR N N 99 115.850 117.487 -1.637 1 1 1207 . 5 1 1 A 100 100 ILE H H 100 10.120 9.220 0.900 1 1 1208 . 5 1 1 A 100 100 ILE HA H 100 4.600 4.821 -0.221 1 1 1218 . 5 1 1 A 100 100 ILE C C 100 172.730 175.505 -2.775 1 1 1219 . 5 1 1 A 100 100 ILE CA C 100 61.500 60.514 0.986 1 1 1220 . 5 1 1 A 100 100 ILE CB C 100 39.300 39.071 0.229 1 1 1224 . 5 1 1 A 100 100 ILE N N 100 127.260 124.855 2.405 1 1 1225 . 5 1 1 A 101 101 SER H H 101 9.010 9.130 -0.120 1 1 1226 . 5 1 1 A 101 101 SER HA H 101 4.820 4.611 0.209 1 1 1229 . 5 1 1 A 101 101 SER C C 101 174.660 175.785 -1.125 1 1 1230 . 5 1 1 A 101 101 SER CA C 101 55.900 58.243 -2.343 1 1 1231 . 5 1 1 A 101 101 SER CB C 101 67.000 64.204 2.796 1 1 1232 . 5 1 1 A 101 101 SER N N 101 123.850 123.729 0.121 1 1 1233 . 5 1 1 A 102 102 ALA H H 102 9.240 9.029 0.211 1 1 1234 . 5 1 1 A 102 102 ALA HA H 102 3.830 4.067 -0.237 1 1 1238 . 5 1 1 A 102 102 ALA C C 102 175.840 179.861 -4.021 1 1 1239 . 5 1 1 A 102 102 ALA CA C 102 56.170 55.789 0.381 1 1 1240 . 5 1 1 A 102 102 ALA CB C 102 18.200 18.057 0.143 1 1 1241 . 5 1 1 A 102 102 ALA N N 102 122.650 126.884 -4.234 1 1 1242 . 5 1 1 A 103 103 ALA H H 103 8.180 8.185 -0.005 1 1 1243 . 5 1 1 A 103 103 ALA HA H 103 3.980 3.980 0.000 1 1 1247 . 5 1 1 A 103 103 ALA C C 103 175.260 180.270 -5.010 1 1 1248 . 5 1 1 A 103 103 ALA CA C 103 55.200 55.230 -0.030 1 1 1249 . 5 1 1 A 103 103 ALA CB C 103 18.500 18.664 -0.164 1 1 1250 . 5 1 1 A 103 103 ALA N N 103 118.250 119.514 -1.264 1 1 1251 . 5 1 1 A 104 104 GLU H H 104 7.860 7.999 -0.139 1 1 1252 . 5 1 1 A 104 104 GLU HA H 104 3.890 3.936 -0.046 1 1 1257 . 5 1 1 A 104 104 GLU C C 104 179.350 179.091 0.259 1 1 1258 . 5 1 1 A 104 104 GLU CA C 104 59.800 59.460 0.340 1 1 1259 . 5 1 1 A 104 104 GLU CB C 104 29.500 29.547 -0.047 1 1 1261 . 5 1 1 A 104 104 GLU N N 104 120.200 118.120 2.080 1 1 1262 . 5 1 1 A 105 105 LEU H H 105 8.500 7.923 0.577 1 1 1263 . 5 1 1 A 105 105 LEU HA H 105 3.960 3.968 -0.008 1 1 1273 . 5 1 1 A 105 105 LEU C C 105 179.190 178.559 0.631 1 1 1274 . 5 1 1 A 105 105 LEU CA C 105 58.400 57.878 0.522 1 1 1275 . 5 1 1 A 105 105 LEU CB C 105 42.600 41.572 1.028 1 1 1279 . 5 1 1 A 105 105 LEU N N 105 120.100 121.153 -1.053 1 1 1280 . 5 1 1 A 106 106 ARG H H 106 8.490 8.296 0.194 1 1 1281 . 5 1 1 A 106 106 ARG HA H 106 3.550 3.938 -0.388 1 1 1288 . 5 1 1 A 106 106 ARG C C 106 175.240 178.468 -3.228 1 1 1289 . 5 1 1 A 106 106 ARG CA C 106 60.300 59.405 0.895 1 1 1290 . 5 1 1 A 106 106 ARG CB C 106 30.400 29.782 0.618 1 1 1293 . 5 1 1 A 106 106 ARG N N 106 117.300 120.037 -2.737 1 1 1294 . 5 1 1 A 107 107 HIS H H 107 7.870 7.471 0.399 1 1 1295 . 5 1 1 A 107 107 HIS HA H 107 4.120 4.153 -0.033 1 1 1300 . 5 1 1 A 107 107 HIS C C 107 176.690 177.365 -0.675 1 1 1301 . 5 1 1 A 107 107 HIS CA C 107 60.300 59.325 0.975 1 1 1302 . 5 1 1 A 107 107 HIS CB C 107 31.100 29.480 1.620 1 1 1304 . 5 1 1 A 107 107 HIS N N 107 120.000 119.504 0.496 1 1 1306 . 5 1 1 A 108 108 VAL H H 108 8.190 8.541 -0.351 1 1 1307 . 5 1 1 A 108 108 VAL HA H 108 3.400 3.426 -0.026 1 1 1315 . 5 1 1 A 108 108 VAL C C 108 178.430 177.888 0.542 1 1 1316 . 5 1 1 A 108 108 VAL CA C 108 66.500 66.513 -0.013 1 1 1317 . 5 1 1 A 108 108 VAL CB C 108 31.800 31.068 0.732 1 1 1320 . 5 1 1 A 108 108 VAL N N 108 118.980 119.421 -0.441 1 1 1321 . 5 1 1 A 109 109 MET H H 109 8.180 7.672 0.508 1 1 1322 . 5 1 1 A 109 109 MET HA H 109 4.220 4.062 0.158 1 1 1330 . 5 1 1 A 109 109 MET C C 109 179.690 178.873 0.817 1 1 1331 . 5 1 1 A 109 109 MET CA C 109 57.300 58.815 -1.515 1 1 1332 . 5 1 1 A 109 109 MET CB C 109 29.700 32.536 -2.836 1 1 1335 . 5 1 1 A 109 109 MET N N 109 114.980 117.553 -2.573 1 1 1336 . 5 1 1 A 110 110 THR H H 110 8.220 7.911 0.309 1 1 1337 . 5 1 1 A 110 110 THR HA H 110 4.000 3.725 0.275 1 1 1342 . 5 1 1 A 110 110 THR C C 110 176.410 176.357 0.053 1 1 1343 . 5 1 1 A 110 110 THR CA C 110 67.100 67.017 0.083 1 1 1344 . 5 1 1 A 110 110 THR CB C 110 68.500 68.377 0.123 1 1 1346 . 5 1 1 A 110 110 THR N N 110 116.970 115.222 1.748 1 1 1347 . 5 1 1 A 111 111 ASN H H 111 7.780 7.680 0.100 1 1 1348 . 5 1 1 A 111 111 ASN HA H 111 4.320 4.507 -0.187 1 1 1353 . 5 1 1 A 111 111 ASN CA C 111 55.800 56.096 -0.296 1 1 1354 . 5 1 1 A 111 111 ASN CB C 111 38.200 37.956 0.244 1 1 1355 . 5 1 1 A 111 111 ASN N N 111 122.350 118.919 3.431 1 1 1357 . 5 1 1 A 112 112 LEU H H 112 7.480 7.459 0.021 1 1 1358 . 5 1 1 A 112 112 LEU HA H 112 4.210 4.262 -0.052 1 1 1368 . 5 1 1 A 112 112 LEU C C 112 178.710 176.982 1.728 1 1 1369 . 5 1 1 A 112 112 LEU CA C 112 55.100 55.339 -0.239 1 1 1370 . 5 1 1 A 112 112 LEU CB C 112 42.500 42.545 -0.045 1 1 1374 . 5 1 1 A 112 112 LEU N N 112 118.300 117.162 1.138 1 1 1375 . 5 1 1 A 113 113 GLY H H 113 7.740 8.055 -0.315 1 1 1376 . 5 1 1 A 113 113 GLY HA2 H 113 3.580 3.933 -0.353 1 1 1377 . 5 1 1 A 113 113 GLY HA3 H 113 4.140 3.943 0.197 1 1 1378 . 5 1 1 A 113 113 GLY C C 113 176.830 174.788 2.042 1 1 1379 . 5 1 1 A 113 113 GLY CA C 113 45.370 46.367 -0.997 1 1 1380 . 5 1 1 A 113 113 GLY N N 113 106.500 108.229 -1.729 1 1 1381 . 5 1 1 A 114 114 GLU H H 114 7.780 8.131 -0.351 1 1 1382 . 5 1 1 A 114 114 GLU HA H 114 4.240 4.378 -0.138 1 1 1387 . 5 1 1 A 114 114 GLU C C 114 176.790 175.921 0.869 1 1 1388 . 5 1 1 A 114 114 GLU CA C 114 54.800 56.349 -1.549 1 1 1389 . 5 1 1 A 114 114 GLU CB C 114 29.900 30.383 -0.483 1 1 1391 . 5 1 1 A 114 114 GLU N N 114 119.300 118.822 0.478 1 1 1392 . 5 1 1 A 115 115 LYS H H 115 8.540 7.839 0.701 1 1 1393 . 5 1 1 A 115 115 LYS HA H 115 4.270 3.772 0.498 1 1 1402 . 5 1 1 A 115 115 LYS C C 115 174.300 175.666 -1.366 1 1 1403 . 5 1 1 A 115 115 LYS CA C 115 55.500 57.088 -1.588 1 1 1404 . 5 1 1 A 115 115 LYS CB C 115 31.900 30.219 1.681 1 1 1408 . 5 1 1 A 115 115 LYS N N 115 125.000 116.619 8.381 1 1 1409 . 5 1 1 A 116 116 LEU H H 116 8.000 7.948 0.052 1 1 1410 . 5 1 1 A 116 116 LEU HA H 116 4.630 4.339 0.291 1 1 1420 . 5 1 1 A 116 116 LEU C C 116 175.060 177.818 -2.758 1 1 1421 . 5 1 1 A 116 116 LEU CA C 116 54.100 54.781 -0.681 1 1 1422 . 5 1 1 A 116 116 LEU CB C 116 44.100 42.639 1.461 1 1 1426 . 5 1 1 A 116 116 LEU N N 116 123.620 120.235 3.385 1 1 1427 . 5 1 1 A 117 117 THR H H 117 9.140 8.735 0.405 1 1 1428 . 5 1 1 A 117 117 THR HA H 117 4.340 4.631 -0.291 1 1 1433 . 5 1 1 A 117 117 THR C C 117 175.610 175.262 0.348 1 1 1434 . 5 1 1 A 117 117 THR CA C 117 60.500 60.603 -0.103 1 1 1435 . 5 1 1 A 117 117 THR CB C 117 71.100 71.369 -0.269 1 1 1437 . 5 1 1 A 117 117 THR N N 117 114.240 115.056 -0.816 1 1 1438 . 5 1 1 A 118 118 ASP H H 118 8.820 8.928 -0.108 1 1 1439 . 5 1 1 A 118 118 ASP HA H 118 4.100 4.240 -0.140 1 1 1442 . 5 1 1 A 118 118 ASP C C 118 178.610 177.930 0.680 1 1 1443 . 5 1 1 A 118 118 ASP CA C 118 58.000 58.103 -0.103 1 1 1444 . 5 1 1 A 118 118 ASP CB C 118 39.700 41.263 -1.563 1 1 1445 . 5 1 1 A 118 118 ASP N N 118 120.660 121.789 -1.129 1 1 1446 . 5 1 1 A 119 119 GLU H H 119 8.450 8.308 0.142 1 1 1447 . 5 1 1 A 119 119 GLU HA H 119 3.960 3.994 -0.034 1 1 1452 . 5 1 1 A 119 119 GLU C C 119 175.620 179.144 -3.524 1 1 1453 . 5 1 1 A 119 119 GLU CA C 119 59.800 59.719 0.081 1 1 1454 . 5 1 1 A 119 119 GLU CB C 119 29.400 29.222 0.178 1 1 1456 . 5 1 1 A 119 119 GLU N N 119 118.790 118.664 0.126 1 1 1457 . 5 1 1 A 120 120 GLU H H 120 7.570 7.446 0.124 1 1 1458 . 5 1 1 A 120 120 GLU HA H 120 3.950 4.197 -0.247 1 1 1463 . 5 1 1 A 120 120 GLU C C 120 178.630 178.831 -0.201 1 1 1464 . 5 1 1 A 120 120 GLU CA C 120 59.600 58.681 0.919 1 1 1465 . 5 1 1 A 120 120 GLU CB C 120 29.400 28.946 0.454 1 1 1467 . 5 1 1 A 120 120 GLU N N 120 120.120 119.546 0.574 1 1 1468 . 5 1 1 A 121 121 VAL H H 121 7.750 8.184 -0.434 1 1 1469 . 5 1 1 A 121 121 VAL HA H 121 3.240 3.545 -0.305 1 1 1477 . 5 1 1 A 121 121 VAL C C 121 179.110 177.901 1.209 1 1 1478 . 5 1 1 A 121 121 VAL CA C 121 67.300 66.342 0.958 1 1 1479 . 5 1 1 A 121 121 VAL CB C 121 31.550 31.539 0.011 1 1 1482 . 5 1 1 A 121 121 VAL N N 121 119.400 121.620 -2.220 1 1 1483 . 5 1 1 A 122 122 ASP H H 122 7.840 8.157 -0.317 1 1 1484 . 5 1 1 A 122 122 ASP HA H 122 4.260 4.334 -0.074 1 1 1487 . 5 1 1 A 122 122 ASP C C 122 178.890 178.392 0.498 1 1 1488 . 5 1 1 A 122 122 ASP CA C 122 57.700 57.435 0.265 1 1 1489 . 5 1 1 A 122 122 ASP CB C 122 40.200 40.916 -0.716 1 1 1490 . 5 1 1 A 122 122 ASP N N 122 118.550 120.402 -1.852 1 1 1491 . 5 1 1 A 123 123 GLU H H 123 8.110 8.266 -0.156 1 1 1492 . 5 1 1 A 123 123 GLU HA H 123 3.880 4.054 -0.174 1 1 1497 . 5 1 1 A 123 123 GLU C C 123 177.710 178.980 -1.270 1 1 1498 . 5 1 1 A 123 123 GLU CA C 123 59.600 59.388 0.212 1 1 1499 . 5 1 1 A 123 123 GLU CB C 123 29.400 29.252 0.148 1 1 1501 . 5 1 1 A 123 123 GLU N N 123 119.670 119.415 0.255 1 1 1502 . 5 1 1 A 124 124 MET H H 124 8.000 8.060 -0.060 1 1 1503 . 5 1 1 A 124 124 MET HA H 124 3.700 4.116 -0.416 1 1 1511 . 5 1 1 A 124 124 MET C C 124 179.020 178.797 0.223 1 1 1512 . 5 1 1 A 124 124 MET CA C 124 60.700 58.624 2.076 1 1 1513 . 5 1 1 A 124 124 MET CB C 124 33.200 32.919 0.281 1 1 1516 . 5 1 1 A 124 124 MET N N 124 118.100 118.800 -0.700 1 1 1517 . 5 1 1 A 125 125 ILE H H 125 8.220 8.297 -0.077 1 1 1518 . 5 1 1 A 125 125 ILE HA H 125 3.610 3.635 -0.025 1 1 1528 . 5 1 1 A 125 125 ILE C C 125 179.410 177.824 1.586 1 1 1529 . 5 1 1 A 125 125 ILE CA C 125 64.200 65.061 -0.861 1 1 1530 . 5 1 1 A 125 125 ILE CB C 125 36.000 37.814 -1.814 1 1 1534 . 5 1 1 A 125 125 ILE N N 125 121.400 119.458 1.942 1 1 1535 . 5 1 1 A 126 126 ARG H H 126 8.510 8.058 0.452 1 1 1536 . 5 1 1 A 126 126 ARG HA H 126 3.930 3.914 0.016 1 1 1543 . 5 1 1 A 126 126 ARG C C 126 178.070 178.969 -0.899 1 1 1544 . 5 1 1 A 126 126 ARG CA C 126 59.500 60.129 -0.629 1 1 1545 . 5 1 1 A 126 126 ARG CB C 126 30.300 29.857 0.443 1 1 1548 . 5 1 1 A 126 126 ARG N N 126 117.650 119.953 -2.303 1 1 1549 . 5 1 1 A 127 127 GLU H H 127 7.820 8.197 -0.377 1 1 1550 . 5 1 1 A 127 127 GLU HA H 127 3.880 4.027 -0.147 1 1 1555 . 5 1 1 A 127 127 GLU C C 127 180.080 178.173 1.907 1 1 1556 . 5 1 1 A 127 127 GLU CA C 127 58.300 59.317 -1.017 1 1 1557 . 5 1 1 A 127 127 GLU CB C 127 29.800 29.248 0.552 1 1 1559 . 5 1 1 A 127 127 GLU N N 127 115.300 119.684 -4.384 1 1 1560 . 5 1 1 A 128 128 ALA H H 128 6.960 7.199 -0.239 1 1 1561 . 5 1 1 A 128 128 ALA HA H 128 4.340 4.366 -0.026 1 1 1565 . 5 1 1 A 128 128 ALA C C 128 181.640 177.183 4.457 1 1 1566 . 5 1 1 A 128 128 ALA CA C 128 51.700 51.970 -0.270 1 1 1567 . 5 1 1 A 128 128 ALA CB C 128 22.400 20.096 2.304 1 1 1568 . 5 1 1 A 128 128 ALA N N 128 115.890 120.722 -4.832 1 1 1569 . 5 1 1 A 129 129 ASP H H 129 8.210 7.775 0.435 1 1 1570 . 5 1 1 A 129 129 ASP HA H 129 4.360 4.575 -0.215 1 1 1573 . 5 1 1 A 129 129 ASP C C 129 176.420 176.692 -0.272 1 1 1574 . 5 1 1 A 129 129 ASP CA C 129 54.300 54.308 -0.008 1 1 1575 . 5 1 1 A 129 129 ASP CB C 129 40.400 41.040 -0.640 1 1 1576 . 5 1 1 A 129 129 ASP N N 129 117.100 118.528 -1.428 1 1 1577 . 5 1 1 A 130 130 ILE H H 130 8.250 8.949 -0.699 1 1 1578 . 5 1 1 A 130 130 ILE HA H 130 3.800 4.014 -0.214 1 1 1588 . 5 1 1 A 130 130 ILE C C 130 177.960 175.666 2.294 1 1 1589 . 5 1 1 A 130 130 ILE CA C 130 63.500 62.642 0.858 1 1 1590 . 5 1 1 A 130 130 ILE CB C 130 38.500 38.459 0.041 1 1 1594 . 5 1 1 A 130 130 ILE N N 130 127.900 127.716 0.184 1 1 1595 . 5 1 1 A 131 131 ASP H H 131 8.220 7.669 0.551 1 1 1596 . 5 1 1 A 131 131 ASP HA H 131 4.400 4.965 -0.565 1 1 1599 . 5 1 1 A 131 131 ASP C C 131 175.850 175.768 0.082 1 1 1600 . 5 1 1 A 131 131 ASP CA C 131 53.800 52.617 1.183 1 1 1601 . 5 1 1 A 131 131 ASP CB C 131 39.900 44.014 -4.114 1 1 1602 . 5 1 1 A 131 131 ASP N N 131 116.250 117.273 -1.023 1 1 1603 . 5 1 1 A 132 132 GLY H H 132 7.520 9.094 -1.574 1 1 1604 . 5 1 1 A 132 132 GLY HA2 H 132 3.700 3.896 -0.196 1 1 1605 . 5 1 1 A 132 132 GLY HA3 H 132 3.900 3.901 -0.001 1 1 1606 . 5 1 1 A 132 132 GLY C C 132 177.820 175.075 2.745 1 1 1607 . 5 1 1 A 132 132 GLY CA C 132 47.400 47.321 0.079 1 1 1608 . 5 1 1 A 132 132 GLY N N 132 108.170 107.979 0.191 1 1 1609 . 5 1 1 A 133 133 ASP H H 133 8.240 8.391 -0.151 1 1 1610 . 5 1 1 A 133 133 ASP HA H 133 4.360 4.557 -0.197 1 1 1613 . 5 1 1 A 133 133 ASP C C 133 178.290 177.574 0.716 1 1 1614 . 5 1 1 A 133 133 ASP CA C 133 53.800 53.499 0.301 1 1 1615 . 5 1 1 A 133 133 ASP CB C 133 40.300 40.324 -0.024 1 1 1616 . 5 1 1 A 133 133 ASP N N 133 120.370 120.156 0.214 1 1 1617 . 5 1 1 A 134 134 GLY H H 134 10.140 9.487 0.653 1 1 1618 . 5 1 1 A 134 134 GLY HA2 H 134 3.300 3.837 -0.537 1 1 1619 . 5 1 1 A 134 134 GLY HA3 H 134 3.930 3.847 0.083 1 1 1620 . 5 1 1 A 134 134 GLY C C 134 175.350 173.239 2.111 1 1 1621 . 5 1 1 A 134 134 GLY CA C 134 45.900 45.633 0.267 1 1 1622 . 5 1 1 A 134 134 GLY N N 134 112.150 111.330 0.820 1 1 1623 . 5 1 1 A 135 135 GLN H H 135 7.910 8.046 -0.136 1 1 1624 . 5 1 1 A 135 135 GLN HA H 135 4.870 5.001 -0.131 1 1 1631 . 5 1 1 A 135 135 GLN C C 135 177.620 174.523 3.097 1 1 1632 . 5 1 1 A 135 135 GLN CA C 135 53.300 53.673 -0.373 1 1 1633 . 5 1 1 A 135 135 GLN CB C 135 33.000 32.628 0.372 1 1 1635 . 5 1 1 A 135 135 GLN N N 135 114.700 118.419 -3.719 1 1 1637 . 5 1 1 A 136 136 VAL H H 136 9.070 8.827 0.243 1 1 1638 . 5 1 1 A 136 136 VAL HA H 136 5.110 5.188 -0.078 1 1 1646 . 5 1 1 A 136 136 VAL C C 136 172.750 175.348 -2.598 1 1 1647 . 5 1 1 A 136 136 VAL CA C 136 61.800 61.720 0.080 1 1 1648 . 5 1 1 A 136 136 VAL CB C 136 34.100 33.082 1.018 1 1 1651 . 5 1 1 A 136 136 VAL N N 136 124.900 122.273 2.627 1 1 1652 . 5 1 1 A 137 137 ASN H H 137 9.450 8.880 0.570 1 1 1653 . 5 1 1 A 137 137 ASN HA H 137 5.240 5.023 0.217 1 1 1658 . 5 1 1 A 137 137 ASN CA C 137 51.400 52.260 -0.860 1 1 1659 . 5 1 1 A 137 137 ASN CB C 137 40.000 40.236 -0.236 1 1 1660 . 5 1 1 A 137 137 ASN N N 137 128.840 126.506 2.334 1 1 1662 . 5 1 1 A 138 138 TYR H H 138 8.330 8.809 -0.479 1 1 1663 . 5 1 1 A 138 138 TYR HA H 138 3.240 4.261 -1.021 1 1 1670 . 5 1 1 A 138 138 TYR C C 138 180.030 177.446 2.584 1 1 1671 . 5 1 1 A 138 138 TYR CA C 138 62.400 62.256 0.144 1 1 1672 . 5 1 1 A 138 138 TYR CB C 138 38.000 38.438 -0.438 1 1 1677 . 5 1 1 A 138 138 TYR N N 138 118.150 125.993 -7.843 1 1 1678 . 5 1 1 A 139 139 GLU H H 139 7.990 8.476 -0.486 1 1 1679 . 5 1 1 A 139 139 GLU HA H 139 3.520 3.919 -0.399 1 1 1684 . 5 1 1 A 139 139 GLU C C 139 179.170 179.125 0.045 1 1 1685 . 5 1 1 A 139 139 GLU CA C 139 60.550 60.109 0.441 1 1 1686 . 5 1 1 A 139 139 GLU CB C 139 29.100 29.724 -0.624 1 1 1688 . 5 1 1 A 139 139 GLU N N 139 118.100 119.184 -1.084 1 1 1689 . 5 1 1 A 140 140 GLU H H 140 8.640 8.160 0.480 1 1 1690 . 5 1 1 A 140 140 GLU HA H 140 3.780 4.067 -0.287 1 1 1695 . 5 1 1 A 140 140 GLU C C 140 181.440 178.957 2.483 1 1 1696 . 5 1 1 A 140 140 GLU CA C 140 58.800 59.083 -0.283 1 1 1697 . 5 1 1 A 140 140 GLU CB C 140 29.200 29.606 -0.406 1 1 1699 . 5 1 1 A 140 140 GLU N N 140 119.300 119.482 -0.182 1 1 1700 . 5 1 1 A 141 141 PHE H H 141 8.470 8.091 0.379 1 1 1701 . 5 1 1 A 141 141 PHE HA H 141 3.380 3.887 -0.507 1 1 1709 . 5 1 1 A 141 141 PHE C C 141 178.980 176.726 2.254 1 1 1710 . 5 1 1 A 141 141 PHE CA C 141 61.900 61.332 0.568 1 1 1711 . 5 1 1 A 141 141 PHE CB C 141 40.200 39.235 0.965 1 1 1717 . 5 1 1 A 141 141 PHE N N 141 123.640 121.734 1.906 1 1 1718 . 5 1 1 A 142 142 VAL H H 142 8.510 8.121 0.389 1 1 1719 . 5 1 1 A 142 142 VAL HA H 142 3.000 3.366 -0.366 1 1 1727 . 5 1 1 A 142 142 VAL C C 142 176.540 177.652 -1.112 1 1 1728 . 5 1 1 A 142 142 VAL CA C 142 66.900 66.375 0.525 1 1 1729 . 5 1 1 A 142 142 VAL CB C 142 31.450 31.313 0.137 1 1 1732 . 5 1 1 A 142 142 VAL N N 142 118.330 118.893 -0.563 1 1 1733 . 5 1 1 A 143 143 GLN H H 143 7.520 8.101 -0.581 1 1 1734 . 5 1 1 A 143 143 GLN HA H 143 3.750 3.866 -0.116 1 1 1741 . 5 1 1 A 143 143 GLN C C 143 176.630 178.156 -1.526 1 1 1742 . 5 1 1 A 143 143 GLN CA C 143 58.900 59.120 -0.220 1 1 1743 . 5 1 1 A 143 143 GLN CB C 143 28.200 28.083 0.117 1 1 1745 . 5 1 1 A 143 143 GLN N N 143 118.100 119.418 -1.318 1 1 1747 . 5 1 1 A 144 144 MET H H 144 7.250 7.798 -0.548 1 1 1748 . 5 1 1 A 144 144 MET HA H 144 4.090 4.199 -0.109 1 1 1756 . 5 1 1 A 144 144 MET C C 144 179.340 178.676 0.664 1 1 1757 . 5 1 1 A 144 144 MET CA C 144 56.750 57.606 -0.856 1 1 1758 . 5 1 1 A 144 144 MET CB C 144 30.800 32.206 -1.406 1 1 1761 . 5 1 1 A 144 144 MET N N 144 117.300 117.816 -0.516 1 1 1762 . 5 1 1 A 145 145 MET H H 145 7.460 7.784 -0.324 1 1 1763 . 5 1 1 A 145 145 MET HA H 145 3.900 3.993 -0.093 1 1 1771 . 5 1 1 A 145 145 MET C C 145 178.110 177.436 0.674 1 1 1772 . 5 1 1 A 145 145 MET CA C 145 56.800 57.871 -1.071 1 1 1773 . 5 1 1 A 145 145 MET CB C 145 31.800 33.636 -1.836 1 1 1776 . 5 1 1 A 145 145 MET N N 145 114.350 118.714 -4.364 1 1 1777 . 5 1 1 A 146 146 THR H H 146 7.560 7.860 -0.300 1 1 1778 . 5 1 1 A 146 146 THR HA H 146 4.220 4.374 -0.154 1 1 1783 . 5 1 1 A 146 146 THR C C 146 177.440 173.953 3.487 1 1 1784 . 5 1 1 A 146 146 THR CA C 146 62.650 61.488 1.162 1 1 1785 . 5 1 1 A 146 146 THR CB C 146 69.700 69.188 0.512 1 1 1787 . 5 1 1 A 146 146 THR N N 146 109.350 107.713 1.637 1 1 1788 . 5 1 1 A 147 147 ALA H H 147 7.420 7.287 0.133 1 1 1789 . 5 1 1 A 147 147 ALA HA H 147 4.170 4.325 -0.155 1 1 1793 . 5 1 1 A 147 147 ALA C C 147 177.480 176.316 1.164 1 1 1794 . 5 1 1 A 147 147 ALA CA C 147 52.900 51.673 1.227 1 1 1795 . 5 1 1 A 147 147 ALA CB C 147 19.200 17.672 1.528 1 1 1796 . 5 1 1 A 147 147 ALA N N 147 125.650 125.416 0.234 1 1 1814 . 5 2 2 B 1 1 ARG H H 1088 8.270 7.548 0.722 1 1 1815 . 5 2 2 B 1 1 ARG HA H 1088 3.860 4.569 -0.709 1 1 1822 . 5 2 2 B 1 1 ARG CA C 1088 59.900 54.774 5.126 1 1 1823 . 5 2 2 B 1 1 ARG CB C 1088 29.900 28.915 0.985 1 1 1826 . 5 2 2 B 1 1 ARG N N 1088 117.300 117.607 -0.307 1 1 1827 . 5 2 2 B 2 2 GLY H H 1089 9.370 8.326 1.044 1 1 1828 . 5 2 2 B 2 2 GLY HA2 H 1089 3.520 3.938 -0.418 1 1 1829 . 5 2 2 B 2 2 GLY HA3 H 1089 3.730 3.975 -0.245 1 1 1830 . 5 2 2 B 2 2 GLY C C 1089 176.650 175.870 0.780 1 1 1831 . 5 2 2 B 2 2 GLY CA C 1089 47.200 46.679 0.521 1 1 1832 . 5 2 2 B 2 2 GLY N N 1089 105.000 111.307 -6.307 1 1 1833 . 5 2 2 B 3 3 GLN H H 1090 6.980 7.927 -0.947 1 1 1834 . 5 2 2 B 3 3 GLN HA H 1090 3.830 4.139 -0.309 1 1 1841 . 5 2 2 B 3 3 GLN C C 1090 177.680 178.769 -1.089 1 1 1842 . 5 2 2 B 3 3 GLN CA C 1090 59.100 58.695 0.405 1 1 1843 . 5 2 2 B 3 3 GLN CB C 1090 29.800 28.508 1.292 1 1 1845 . 5 2 2 B 3 3 GLN N N 1090 117.350 120.403 -3.053 1 1 1847 . 5 2 2 B 4 4 ILE H H 1091 7.760 8.033 -0.273 1 1 1848 . 5 2 2 B 4 4 ILE HA H 1091 3.480 3.692 -0.212 1 1 1858 . 5 2 2 B 4 4 ILE C C 1091 175.070 178.271 -3.201 1 1 1859 . 5 2 2 B 4 4 ILE CA C 1091 65.600 65.944 -0.344 1 1 1860 . 5 2 2 B 4 4 ILE CB C 1091 38.000 38.211 -0.211 1 1 1864 . 5 2 2 B 4 4 ILE N N 1091 119.650 121.205 -1.555 1 1 1865 . 5 2 2 B 5 5 LEU H H 1092 7.830 8.348 -0.518 1 1 1866 . 5 2 2 B 5 5 LEU HA H 1092 3.820 3.902 -0.082 1 1 1876 . 5 2 2 B 5 5 LEU C C 1092 176.220 179.092 -2.872 1 1 1877 . 5 2 2 B 5 5 LEU CA C 1092 58.250 58.375 -0.125 1 1 1878 . 5 2 2 B 5 5 LEU CB C 1092 41.700 42.142 -0.442 1 1 1882 . 5 2 2 B 5 5 LEU N N 1092 119.200 118.733 0.467 1 1 1883 . 5 2 2 B 6 6 TRP H H 1093 7.650 8.364 -0.714 1 1 1884 . 5 2 2 B 6 6 TRP HA H 1093 4.120 4.336 -0.216 1 1 1893 . 5 2 2 B 6 6 TRP C C 1093 178.490 179.208 -0.718 1 1 1894 . 5 2 2 B 6 6 TRP CA C 1093 61.100 60.460 0.640 1 1 1895 . 5 2 2 B 6 6 TRP CB C 1093 30.000 29.441 0.559 1 1 1901 . 5 2 2 B 6 6 TRP N N 1093 119.200 118.613 0.587 1 1 1903 . 5 2 2 B 7 7 PHE H H 1094 8.400 8.523 -0.123 1 1 1904 . 5 2 2 B 7 7 PHE HA H 1094 4.390 4.228 0.162 1 1 1912 . 5 2 2 B 7 7 PHE C C 1094 178.840 177.464 1.376 1 1 1913 . 5 2 2 B 7 7 PHE CA C 1094 59.700 61.530 -1.830 1 1 1914 . 5 2 2 B 7 7 PHE CB C 1094 37.000 39.242 -2.242 1 1 1919 . 5 2 2 B 7 7 PHE N N 1094 117.800 119.851 -2.051 1 1 1920 . 5 2 2 B 8 8 ARG H H 1095 8.360 8.334 0.026 1 1 1921 . 5 2 2 B 8 8 ARG HA H 1095 4.140 4.109 0.031 1 1 1928 . 5 2 2 B 8 8 ARG C C 1095 178.290 179.024 -0.734 1 1 1929 . 5 2 2 B 8 8 ARG CA C 1095 59.600 59.756 -0.156 1 1 1930 . 5 2 2 B 8 8 ARG CB C 1095 30.500 30.234 0.266 1 1 1933 . 5 2 2 B 8 8 ARG N N 1095 120.800 117.943 2.857 1 1 1934 . 5 2 2 B 9 9 GLY H H 1096 8.330 8.234 0.096 1 1 1935 . 5 2 2 B 9 9 GLY HA2 H 1096 3.560 3.587 -0.027 1 1 1936 . 5 2 2 B 9 9 GLY HA3 H 1096 3.720 3.610 0.110 1 1 1937 . 5 2 2 B 9 9 GLY C C 1096 178.010 175.471 2.539 1 1 1938 . 5 2 2 B 9 9 GLY CA C 1096 47.200 47.285 -0.085 1 1 1939 . 5 2 2 B 9 9 GLY N N 1096 106.400 107.159 -0.759 1 1 1940 . 5 2 2 B 10 10 LEU H H 1097 9.090 8.002 1.088 1 1 1941 . 5 2 2 B 10 10 LEU HA H 1097 4.150 3.888 0.262 1 1 1951 . 5 2 2 B 10 10 LEU C C 1097 178.820 178.318 0.502 1 1 1952 . 5 2 2 B 10 10 LEU CA C 1097 58.500 57.180 1.320 1 1 1953 . 5 2 2 B 10 10 LEU CB C 1097 41.600 41.000 0.600 1 1 1957 . 5 2 2 B 10 10 LEU N N 1097 120.900 122.572 -1.672 1 1 1958 . 5 2 2 B 11 11 ASN H H 1098 8.380 7.782 0.598 1 1 1959 . 5 2 2 B 11 11 ASN HA H 1098 4.440 4.145 0.295 1 1 1964 . 5 2 2 B 11 11 ASN CA C 1098 56.700 56.758 -0.058 1 1 1965 . 5 2 2 B 11 11 ASN CB C 1098 38.700 39.575 -0.875 1 1 1966 . 5 2 2 B 11 11 ASN N N 1098 116.900 116.760 0.140 1 1 1968 . 5 2 2 B 12 12 ARG H H 1099 7.900 7.510 0.390 1 1 1969 . 5 2 2 B 12 12 ARG HA H 1099 3.980 4.089 -0.109 1 1 1976 . 5 2 2 B 12 12 ARG C C 1099 178.360 178.268 0.092 1 1 1977 . 5 2 2 B 12 12 ARG CA C 1099 60.200 59.093 1.107 1 1 1978 . 5 2 2 B 12 12 ARG CB C 1099 32.600 29.809 2.791 1 1 1981 . 5 2 2 B 12 12 ARG N N 1099 120.100 118.159 1.941 1 1 1982 . 5 2 2 B 13 13 ILE H H 1100 8.230 8.010 0.220 1 1 1983 . 5 2 2 B 13 13 ILE HA H 1100 3.840 3.626 0.214 1 1 1993 . 5 2 2 B 13 13 ILE C C 1100 178.110 177.916 0.194 1 1 1994 . 5 2 2 B 13 13 ILE CA C 1100 63.800 65.421 -1.621 1 1 1995 . 5 2 2 B 13 13 ILE CB C 1100 37.300 37.622 -0.322 1 1 1999 . 5 2 2 B 13 13 ILE N N 1100 120.350 120.673 -0.323 1 1 2000 . 5 2 2 B 14 14 GLN H H 1101 8.830 7.738 1.092 1 1 2001 . 5 2 2 B 14 14 GLN HA H 1101 3.990 3.914 0.076 1 1 2008 . 5 2 2 B 14 14 GLN C C 1101 177.860 178.743 -0.883 1 1 2009 . 5 2 2 B 14 14 GLN CA C 1101 60.000 59.159 0.841 1 1 2010 . 5 2 2 B 14 14 GLN CB C 1101 28.800 28.438 0.362 1 1 2012 . 5 2 2 B 14 14 GLN N N 1101 118.700 118.002 0.698 1 1 2014 . 5 2 2 B 15 15 THR H H 1102 8.140 7.709 0.431 1 1 2015 . 5 2 2 B 15 15 THR HA H 1102 3.890 3.770 0.120 1 1 2020 . 5 2 2 B 15 15 THR C C 1102 177.470 176.560 0.910 1 1 2021 . 5 2 2 B 15 15 THR CA C 1102 67.400 67.547 -0.147 1 1 2022 . 5 2 2 B 15 15 THR CB C 1102 70.300 68.544 1.756 1 1 2024 . 5 2 2 B 15 15 THR N N 1102 117.500 118.048 -0.548 1 1 2025 . 5 2 2 B 16 16 GLN H H 1103 8.320 8.375 -0.055 1 1 2026 . 5 2 2 B 16 16 GLN HA H 1103 4.100 3.940 0.160 1 1 2033 . 5 2 2 B 16 16 GLN C C 1103 178.890 178.675 0.215 1 1 2034 . 5 2 2 B 16 16 GLN CA C 1103 60.600 59.257 1.343 1 1 2035 . 5 2 2 B 16 16 GLN CB C 1103 30.500 28.420 2.080 1 1 2037 . 5 2 2 B 16 16 GLN N N 1103 120.650 119.122 1.528 1 1 2039 . 5 2 2 B 17 17 ILE H H 1104 8.690 7.932 0.758 1 1 2040 . 5 2 2 B 17 17 ILE HA H 1104 3.470 3.976 -0.506 1 1 2050 . 5 2 2 B 17 17 ILE C C 1104 175.230 177.247 -2.017 1 1 2051 . 5 2 2 B 17 17 ILE CA C 1104 66.150 62.389 3.761 1 1 2052 . 5 2 2 B 17 17 ILE CB C 1104 38.300 37.860 0.440 1 1 2056 . 5 2 2 B 17 17 ILE N N 1104 119.400 120.126 -0.726 1 1 2057 . 5 2 2 B 18 18 LYS H H 1105 7.950 8.915 -0.965 1 1 2058 . 5 2 2 B 18 18 LYS HA H 1105 3.900 4.051 -0.151 1 1 2067 . 5 2 2 B 18 18 LYS C C 1105 177.660 179.453 -1.793 1 1 2068 . 5 2 2 B 18 18 LYS CA C 1105 60.050 59.636 0.414 1 1 2069 . 5 2 2 B 18 18 LYS CB C 1105 32.700 32.502 0.198 1 1 2073 . 5 2 2 B 18 18 LYS N N 1105 120.280 122.595 -2.315 1 1 2074 . 5 2 2 B 19 19 VAL H H 1106 8.280 7.469 0.811 1 1 2075 . 5 2 2 B 19 19 VAL HA H 1106 3.430 3.797 -0.367 1 1 2083 . 5 2 2 B 19 19 VAL C C 1106 177.660 178.563 -0.903 1 1 2084 . 5 2 2 B 19 19 VAL CA C 1106 65.900 66.512 -0.612 1 1 2085 . 5 2 2 B 19 19 VAL CB C 1106 31.400 31.662 -0.262 1 1 2088 . 5 2 2 B 19 19 VAL N N 1106 120.660 120.313 0.347 1 1 2089 . 5 2 2 B 20 20 VAL H H 1107 8.420 8.242 0.178 1 1 2090 . 5 2 2 B 20 20 VAL HA H 1107 3.580 3.689 -0.109 1 1 2098 . 5 2 2 B 20 20 VAL C C 1107 178.930 178.064 0.866 1 1 2099 . 5 2 2 B 20 20 VAL CA C 1107 68.390 66.724 1.666 1 1 2100 . 5 2 2 B 20 20 VAL CB C 1107 31.200 31.537 -0.337 1 1 2103 . 5 2 2 B 20 20 VAL N N 1107 119.990 120.480 -0.490 1 1 2104 . 5 2 2 B 21 21 LYS H H 1108 8.300 8.277 0.023 1 1 2105 . 5 2 2 B 21 21 LYS HA H 1108 4.050 3.411 0.639 1 1 2114 . 5 2 2 B 21 21 LYS C C 1108 177.230 178.626 -1.396 1 1 2115 . 5 2 2 B 21 21 LYS CA C 1108 59.980 59.489 0.491 1 1 2116 . 5 2 2 B 21 21 LYS CB C 1108 32.400 32.174 0.226 1 1 2120 . 5 2 2 B 21 21 LYS N N 1108 119.290 119.075 0.215 1 1 2121 . 5 2 2 B 22 22 ALA H H 1109 7.690 7.510 0.180 1 1 2122 . 5 2 2 B 22 22 ALA HA H 1109 3.900 4.093 -0.193 1 1 2126 . 5 2 2 B 22 22 ALA C C 1109 178.200 179.932 -1.732 1 1 2127 . 5 2 2 B 22 22 ALA CA C 1109 54.950 55.002 -0.052 1 1 2128 . 5 2 2 B 22 22 ALA CB C 1109 22.000 18.538 3.462 1 1 2129 . 5 2 2 B 22 22 ALA N N 1109 123.910 122.052 1.858 1 1 2130 . 5 2 2 B 23 23 PHE H H 1110 7.920 8.226 -0.306 1 1 2131 . 5 2 2 B 23 23 PHE HA H 1110 4.120 4.282 -0.162 1 1 2139 . 5 2 2 B 23 23 PHE C C 1110 178.840 178.203 0.637 1 1 2140 . 5 2 2 B 23 23 PHE CA C 1110 61.260 60.303 0.957 1 1 2141 . 5 2 2 B 23 23 PHE CB C 1110 40.200 38.981 1.219 1 1 2147 . 5 2 2 B 23 23 PHE N N 1110 118.200 115.740 2.460 1 1 2148 . 5 2 2 B 24 24 HIS H H 1111 7.960 7.414 0.546 1 1 2149 . 5 2 2 B 24 24 HIS HA H 1111 4.530 4.486 0.044 1 1 2155 . 5 2 2 B 24 24 HIS C C 1111 178.710 175.706 3.004 1 1 2156 . 5 2 2 B 24 24 HIS CA C 1111 57.200 57.263 -0.063 1 1 2157 . 5 2 2 B 24 24 HIS CB C 1111 30.200 31.033 -0.833 1 1 2160 . 5 2 2 B 24 24 HIS N N 1111 117.760 114.842 2.918 1 1 2162 . 5 2 2 B 25 25 SER H H 1112 7.980 6.897 1.083 1 1 2163 . 5 2 2 B 25 25 SER HA H 1112 4.340 4.010 0.330 1 1 2166 . 5 2 2 B 25 25 SER C C 1112 177.230 174.291 2.939 1 1 2167 . 5 2 2 B 25 25 SER CA C 1112 58.570 58.823 -0.253 1 1 2168 . 5 2 2 B 25 25 SER CB C 1112 63.800 61.015 2.785 1 1 2169 . 5 2 2 B 25 25 SER N N 1112 116.970 115.174 1.796 1 1 9 . 6 1 1 A 2 2 ASP H H 2 8.220 8.236 -0.016 1 1 10 . 6 1 1 A 2 2 ASP HA H 2 4.500 4.454 0.046 1 1 13 . 6 1 1 A 2 2 ASP CA C 2 54.750 56.112 -1.362 1 1 14 . 6 1 1 A 2 2 ASP CB C 2 41.350 40.878 0.472 1 1 15 . 6 1 1 A 2 2 ASP N N 2 121.760 116.296 5.464 1 1 16 . 6 1 1 A 3 3 GLN H H 3 8.320 7.584 0.736 1 1 17 . 6 1 1 A 3 3 GLN HA H 3 4.240 4.663 -0.423 1 1 24 . 6 1 1 A 3 3 GLN CA C 3 55.750 55.676 0.074 1 1 25 . 6 1 1 A 3 3 GLN CB C 3 29.700 30.189 -0.489 1 1 27 . 6 1 1 A 3 3 GLN N N 3 119.800 114.384 5.416 1 1 29 . 6 1 1 A 4 4 LEU H H 4 8.250 8.604 -0.354 1 1 30 . 6 1 1 A 4 4 LEU HA H 4 4.540 4.390 0.150 1 1 40 . 6 1 1 A 4 4 LEU C C 4 175.740 176.610 -0.870 1 1 41 . 6 1 1 A 4 4 LEU CA C 4 54.600 54.891 -0.291 1 1 42 . 6 1 1 A 4 4 LEU CB C 4 43.600 42.928 0.672 1 1 46 . 6 1 1 A 4 4 LEU N N 4 123.100 124.044 -0.944 1 1 47 . 6 1 1 A 5 5 THR H H 5 8.680 7.683 0.997 1 1 48 . 6 1 1 A 5 5 THR HA H 5 4.350 4.376 -0.026 1 1 53 . 6 1 1 A 5 5 THR C C 5 175.750 175.248 0.502 1 1 54 . 6 1 1 A 5 5 THR CA C 5 60.500 60.874 -0.374 1 1 55 . 6 1 1 A 5 5 THR CB C 5 71.100 70.239 0.861 1 1 57 . 6 1 1 A 5 5 THR N N 5 112.700 111.412 1.288 1 1 58 . 6 1 1 A 6 6 GLU H H 6 8.950 8.967 -0.017 1 1 59 . 6 1 1 A 6 6 GLU HA H 6 3.880 3.925 -0.045 1 1 64 . 6 1 1 A 6 6 GLU C C 6 177.790 178.430 -0.640 1 1 65 . 6 1 1 A 6 6 GLU CA C 6 60.200 60.120 0.080 1 1 66 . 6 1 1 A 6 6 GLU CB C 6 29.300 29.583 -0.283 1 1 68 . 6 1 1 A 6 6 GLU N N 6 119.950 123.176 -3.226 1 1 69 . 6 1 1 A 7 7 GLU H H 7 8.660 8.083 0.577 1 1 70 . 6 1 1 A 7 7 GLU HA H 7 3.940 4.008 -0.068 1 1 75 . 6 1 1 A 7 7 GLU C C 7 175.460 178.812 -3.352 1 1 76 . 6 1 1 A 7 7 GLU CA C 7 60.200 59.809 0.391 1 1 77 . 6 1 1 A 7 7 GLU CB C 7 29.100 29.335 -0.235 1 1 79 . 6 1 1 A 7 7 GLU N N 7 119.250 119.139 0.111 1 1 80 . 6 1 1 A 8 8 GLN H H 8 7.670 7.623 0.047 1 1 81 . 6 1 1 A 8 8 GLN HA H 8 3.760 4.176 -0.416 1 1 88 . 6 1 1 A 8 8 GLN C C 8 179.600 179.047 0.553 1 1 89 . 6 1 1 A 8 8 GLN CA C 8 58.800 58.635 0.165 1 1 90 . 6 1 1 A 8 8 GLN CB C 8 29.300 28.566 0.734 1 1 92 . 6 1 1 A 8 8 GLN N N 8 120.000 118.453 1.547 1 1 94 . 6 1 1 A 9 9 ILE H H 9 8.280 8.714 -0.434 1 1 95 . 6 1 1 A 9 9 ILE HA H 9 3.580 3.782 -0.202 1 1 105 . 6 1 1 A 9 9 ILE C C 9 179.270 178.059 1.211 1 1 106 . 6 1 1 A 9 9 ILE CA C 9 66.400 65.638 0.762 1 1 107 . 6 1 1 A 9 9 ILE CB C 9 38.100 37.786 0.314 1 1 111 . 6 1 1 A 9 9 ILE N N 9 119.400 121.551 -2.151 1 1 112 . 6 1 1 A 10 10 ALA H H 10 7.950 8.199 -0.249 1 1 113 . 6 1 1 A 10 10 ALA HA H 10 4.020 4.022 -0.002 1 1 117 . 6 1 1 A 10 10 ALA C C 10 178.490 179.233 -0.743 1 1 118 . 6 1 1 A 10 10 ALA CA C 10 55.400 55.873 -0.473 1 1 119 . 6 1 1 A 10 10 ALA CB C 10 17.950 18.260 -0.310 1 1 120 . 6 1 1 A 10 10 ALA N N 10 121.000 122.479 -1.479 1 1 121 . 6 1 1 A 11 11 GLU H H 11 7.730 8.067 -0.337 1 1 122 . 6 1 1 A 11 11 GLU HA H 11 4.030 4.045 -0.015 1 1 127 . 6 1 1 A 11 11 GLU C C 11 177.860 179.165 -1.305 1 1 128 . 6 1 1 A 11 11 GLU CA C 11 59.500 59.394 0.106 1 1 129 . 6 1 1 A 11 11 GLU CB C 11 29.500 29.529 -0.029 1 1 131 . 6 1 1 A 11 11 GLU N N 11 119.700 118.520 1.180 1 1 132 . 6 1 1 A 12 12 PHE H H 12 8.470 8.409 0.061 1 1 133 . 6 1 1 A 12 12 PHE HA H 12 4.910 4.293 0.617 1 1 141 . 6 1 1 A 12 12 PHE C C 12 181.140 178.096 3.044 1 1 142 . 6 1 1 A 12 12 PHE CA C 12 59.200 61.296 -2.096 1 1 143 . 6 1 1 A 12 12 PHE CB C 12 37.700 38.716 -1.016 1 1 149 . 6 1 1 A 12 12 PHE N N 12 119.900 119.406 0.494 1 1 150 . 6 1 1 A 13 13 LYS H H 13 9.180 8.614 0.566 1 1 151 . 6 1 1 A 13 13 LYS HA H 13 3.860 3.804 0.056 1 1 160 . 6 1 1 A 13 13 LYS C C 13 180.730 178.654 2.076 1 1 161 . 6 1 1 A 13 13 LYS CA C 13 60.300 60.054 0.246 1 1 162 . 6 1 1 A 13 13 LYS CB C 13 31.900 32.614 -0.714 1 1 166 . 6 1 1 A 13 13 LYS N N 13 124.000 120.384 3.616 1 1 167 . 6 1 1 A 14 14 GLU H H 14 7.770 8.093 -0.323 1 1 168 . 6 1 1 A 14 14 GLU HA H 14 4.050 4.023 0.027 1 1 173 . 6 1 1 A 14 14 GLU C C 14 178.750 179.275 -0.525 1 1 174 . 6 1 1 A 14 14 GLU CA C 14 59.300 59.511 -0.211 1 1 175 . 6 1 1 A 14 14 GLU CB C 14 29.300 29.332 -0.032 1 1 177 . 6 1 1 A 14 14 GLU N N 14 120.060 118.611 1.449 1 1 178 . 6 1 1 A 15 15 ALA H H 15 8.020 7.427 0.593 1 1 179 . 6 1 1 A 15 15 ALA HA H 15 4.110 4.117 -0.007 1 1 183 . 6 1 1 A 15 15 ALA C C 15 179.220 179.882 -0.662 1 1 184 . 6 1 1 A 15 15 ALA CA C 15 55.900 54.905 0.995 1 1 185 . 6 1 1 A 15 15 ALA CB C 15 18.430 17.986 0.444 1 1 186 . 6 1 1 A 15 15 ALA N N 15 121.660 122.747 -1.087 1 1 187 . 6 1 1 A 16 16 PHE H H 16 8.700 8.052 0.648 1 1 188 . 6 1 1 A 16 16 PHE HA H 16 3.190 3.636 -0.446 1 1 196 . 6 1 1 A 16 16 PHE C C 16 176.350 177.791 -1.441 1 1 197 . 6 1 1 A 16 16 PHE CA C 16 62.300 59.557 2.743 1 1 198 . 6 1 1 A 16 16 PHE CB C 16 39.800 38.059 1.741 1 1 204 . 6 1 1 A 16 16 PHE N N 16 118.400 116.343 2.057 1 1 205 . 6 1 1 A 17 17 SER H H 17 8.040 7.906 0.134 1 1 206 . 6 1 1 A 17 17 SER HA H 17 4.110 4.192 -0.082 1 1 209 . 6 1 1 A 17 17 SER C C 17 178.820 176.714 2.106 1 1 210 . 6 1 1 A 17 17 SER CA C 17 61.600 60.674 0.926 1 1 211 . 6 1 1 A 17 17 SER CB C 17 63.200 63.271 -0.071 1 1 212 . 6 1 1 A 17 17 SER N N 17 114.290 114.827 -0.537 1 1 213 . 6 1 1 A 18 18 LEU H H 18 7.440 7.734 -0.294 1 1 214 . 6 1 1 A 18 18 LEU HA H 18 3.970 3.970 0.000 1 1 224 . 6 1 1 A 18 18 LEU C C 18 178.630 178.276 0.354 1 1 225 . 6 1 1 A 18 18 LEU CA C 18 56.800 57.847 -1.047 1 1 226 . 6 1 1 A 18 18 LEU CB C 18 42.600 41.508 1.092 1 1 230 . 6 1 1 A 18 18 LEU N N 18 118.200 122.679 -4.479 1 1 231 . 6 1 1 A 19 19 PHE H H 19 7.330 6.249 1.081 1 1 232 . 6 1 1 A 19 19 PHE HA H 19 3.950 4.633 -0.683 1 1 240 . 6 1 1 A 19 19 PHE C C 19 174.460 175.268 -0.808 1 1 241 . 6 1 1 A 19 19 PHE CA C 19 59.300 57.108 2.192 1 1 242 . 6 1 1 A 19 19 PHE CB C 19 41.800 39.613 2.187 1 1 248 . 6 1 1 A 19 19 PHE N N 19 114.900 113.666 1.234 1 1 249 . 6 1 1 A 20 20 ASP H H 20 7.780 6.906 0.874 1 1 250 . 6 1 1 A 20 20 ASP HA H 20 4.480 4.962 -0.482 1 1 253 . 6 1 1 A 20 20 ASP C C 20 176.700 175.887 0.813 1 1 254 . 6 1 1 A 20 20 ASP CA C 20 52.400 53.620 -1.220 1 1 255 . 6 1 1 A 20 20 ASP CB C 20 39.400 39.636 -0.236 1 1 256 . 6 1 1 A 20 20 ASP N N 20 117.700 122.477 -4.777 1 1 257 . 6 1 1 A 21 21 LYS H H 21 7.480 8.131 -0.651 1 1 258 . 6 1 1 A 21 21 LYS HA H 21 3.840 3.954 -0.114 1 1 267 . 6 1 1 A 21 21 LYS C C 21 175.550 177.302 -1.752 1 1 268 . 6 1 1 A 21 21 LYS CA C 21 58.300 59.390 -1.090 1 1 269 . 6 1 1 A 21 21 LYS CB C 21 32.600 32.427 0.173 1 1 273 . 6 1 1 A 21 21 LYS N N 21 124.200 125.958 -1.758 1 1 274 . 6 1 1 A 22 22 ASP H H 22 7.910 7.915 -0.005 1 1 275 . 6 1 1 A 22 22 ASP HA H 22 4.460 4.655 -0.195 1 1 278 . 6 1 1 A 22 22 ASP C C 22 176.920 177.571 -0.651 1 1 279 . 6 1 1 A 22 22 ASP CA C 22 53.400 53.104 0.296 1 1 280 . 6 1 1 A 22 22 ASP CB C 22 39.800 39.858 -0.058 1 1 281 . 6 1 1 A 22 22 ASP N N 22 113.500 115.210 -1.710 1 1 282 . 6 1 1 A 23 23 GLY H H 23 7.540 7.991 -0.451 1 1 283 . 6 1 1 A 23 23 GLY HA2 H 23 3.730 3.903 -0.173 1 1 284 . 6 1 1 A 23 23 GLY HA3 H 23 3.730 3.909 -0.179 1 1 285 . 6 1 1 A 23 23 GLY C C 23 178.030 175.240 2.790 1 1 286 . 6 1 1 A 23 23 GLY CA C 23 47.400 47.319 0.081 1 1 287 . 6 1 1 A 23 23 GLY N N 23 109.200 108.933 0.267 1 1 288 . 6 1 1 A 24 24 ASP H H 24 8.430 8.839 -0.409 1 1 289 . 6 1 1 A 24 24 ASP HA H 24 4.410 4.735 -0.325 1 1 292 . 6 1 1 A 24 24 ASP C C 24 177.580 176.472 1.108 1 1 293 . 6 1 1 A 24 24 ASP CA C 24 53.770 53.716 0.054 1 1 294 . 6 1 1 A 24 24 ASP CB C 24 40.200 41.590 -1.390 1 1 295 . 6 1 1 A 24 24 ASP N N 24 120.700 118.423 2.277 1 1 296 . 6 1 1 A 25 25 GLY H H 25 10.370 9.653 0.717 1 1 297 . 6 1 1 A 25 25 GLY HA2 H 25 4.240 3.984 0.256 1 1 298 . 6 1 1 A 25 25 GLY HA3 H 25 3.610 4.008 -0.398 1 1 299 . 6 1 1 A 25 25 GLY C C 25 175.160 173.613 1.547 1 1 300 . 6 1 1 A 25 25 GLY CA C 25 45.300 45.442 -0.142 1 1 301 . 6 1 1 A 25 25 GLY N N 25 112.100 108.313 3.787 1 1 302 . 6 1 1 A 26 26 THR H H 26 8.060 7.705 0.355 1 1 303 . 6 1 1 A 26 26 THR HA H 26 5.430 4.961 0.469 1 1 308 . 6 1 1 A 26 26 THR C C 26 177.260 173.286 3.974 1 1 309 . 6 1 1 A 26 26 THR CA C 26 59.500 58.553 0.947 1 1 310 . 6 1 1 A 26 26 THR CB C 26 72.800 73.255 -0.455 1 1 312 . 6 1 1 A 26 26 THR N N 26 110.950 109.832 1.118 1 1 313 . 6 1 1 A 27 27 ILE H H 27 9.890 8.555 1.335 1 1 314 . 6 1 1 A 27 27 ILE HA H 27 4.680 4.938 -0.258 1 1 324 . 6 1 1 A 27 27 ILE C C 27 173.810 175.737 -1.927 1 1 325 . 6 1 1 A 27 27 ILE CA C 27 61.250 60.776 0.474 1 1 326 . 6 1 1 A 27 27 ILE CB C 27 40.700 38.109 2.591 1 1 330 . 6 1 1 A 27 27 ILE N N 27 125.400 123.791 1.609 1 1 331 . 6 1 1 A 28 28 THR H H 28 8.290 8.342 -0.052 1 1 332 . 6 1 1 A 28 28 THR HA H 28 4.680 4.927 -0.247 1 1 337 . 6 1 1 A 28 28 THR C C 28 173.550 176.164 -2.614 1 1 338 . 6 1 1 A 28 28 THR CA C 28 59.200 59.416 -0.216 1 1 339 . 6 1 1 A 28 28 THR CB C 28 72.600 72.044 0.556 1 1 341 . 6 1 1 A 28 28 THR N N 28 116.000 117.809 -1.809 1 1 342 . 6 1 1 A 29 29 THR H H 29 9.180 8.881 0.299 1 1 343 . 6 1 1 A 29 29 THR HA H 29 3.570 3.878 -0.308 1 1 348 . 6 1 1 A 29 29 THR C C 29 176.080 176.229 -0.149 1 1 349 . 6 1 1 A 29 29 THR CA C 29 66.100 66.560 -0.460 1 1 350 . 6 1 1 A 29 29 THR CB C 29 67.650 68.314 -0.664 1 1 352 . 6 1 1 A 29 29 THR N N 29 111.440 114.980 -3.540 1 1 353 . 6 1 1 A 30 30 LYS H H 30 7.340 8.015 -0.675 1 1 354 . 6 1 1 A 30 30 LYS HA H 30 3.960 3.949 0.011 1 1 363 . 6 1 1 A 30 30 LYS C C 30 176.660 179.486 -2.826 1 1 364 . 6 1 1 A 30 30 LYS CA C 30 59.100 59.954 -0.854 1 1 365 . 6 1 1 A 30 30 LYS CB C 30 32.700 32.342 0.358 1 1 369 . 6 1 1 A 30 30 LYS N N 30 120.350 122.584 -2.234 1 1 370 . 6 1 1 A 31 31 GLU H H 31 7.760 8.339 -0.579 1 1 371 . 6 1 1 A 31 31 GLU HA H 31 4.000 4.117 -0.117 1 1 376 . 6 1 1 A 31 31 GLU C C 31 177.230 178.961 -1.731 1 1 377 . 6 1 1 A 31 31 GLU CA C 31 59.600 58.944 0.656 1 1 378 . 6 1 1 A 31 31 GLU CB C 31 29.600 28.310 1.290 1 1 380 . 6 1 1 A 31 31 GLU N N 31 122.300 118.141 4.159 1 1 381 . 6 1 1 A 32 32 LEU H H 32 8.370 8.095 0.275 1 1 382 . 6 1 1 A 32 32 LEU HA H 32 4.060 3.852 0.208 1 1 392 . 6 1 1 A 32 32 LEU C C 32 179.400 178.713 0.687 1 1 393 . 6 1 1 A 32 32 LEU CA C 32 57.550 57.852 -0.302 1 1 394 . 6 1 1 A 32 32 LEU CB C 32 41.700 41.986 -0.286 1 1 398 . 6 1 1 A 32 32 LEU N N 32 120.100 123.174 -3.074 1 1 399 . 6 1 1 A 33 33 GLY H H 33 8.650 7.963 0.687 1 1 400 . 6 1 1 A 33 33 GLY HA2 H 33 3.450 3.756 -0.306 1 1 401 . 6 1 1 A 33 33 GLY HA3 H 33 3.800 3.758 0.042 1 1 402 . 6 1 1 A 33 33 GLY C C 33 179.640 176.129 3.511 1 1 403 . 6 1 1 A 33 33 GLY CA C 33 48.300 47.792 0.508 1 1 404 . 6 1 1 A 33 33 GLY N N 33 105.700 106.133 -0.433 1 1 405 . 6 1 1 A 34 34 THR H H 34 8.070 7.678 0.392 1 1 406 . 6 1 1 A 34 34 THR HA H 34 3.790 4.023 -0.233 1 1 411 . 6 1 1 A 34 34 THR C C 34 178.670 176.162 2.508 1 1 412 . 6 1 1 A 34 34 THR CA C 34 67.300 66.851 0.449 1 1 413 . 6 1 1 A 34 34 THR CB C 34 68.700 68.636 0.064 1 1 415 . 6 1 1 A 34 34 THR N N 34 118.140 118.434 -0.294 1 1 416 . 6 1 1 A 35 35 VAL H H 35 7.510 7.778 -0.268 1 1 417 . 6 1 1 A 35 35 VAL HA H 35 3.480 3.619 -0.139 1 1 425 . 6 1 1 A 35 35 VAL C C 35 175.050 177.692 -2.642 1 1 426 . 6 1 1 A 35 35 VAL CA C 35 66.500 66.656 -0.156 1 1 427 . 6 1 1 A 35 35 VAL CB C 35 31.400 31.269 0.131 1 1 430 . 6 1 1 A 35 35 VAL N N 35 121.400 121.984 -0.584 1 1 431 . 6 1 1 A 36 36 MET H H 36 8.530 7.915 0.615 1 1 432 . 6 1 1 A 36 36 MET HA H 36 3.590 4.106 -0.516 1 1 440 . 6 1 1 A 36 36 MET C C 36 177.410 177.865 -0.455 1 1 441 . 6 1 1 A 36 36 MET CA C 36 61.900 58.508 3.392 1 1 442 . 6 1 1 A 36 36 MET CB C 36 32.600 31.308 1.292 1 1 445 . 6 1 1 A 36 36 MET N N 36 118.970 117.953 1.017 1 1 446 . 6 1 1 A 37 37 ARG H H 37 8.600 8.285 0.315 1 1 447 . 6 1 1 A 37 37 ARG HA H 37 4.720 4.204 0.516 1 1 454 . 6 1 1 A 37 37 ARG C C 37 179.250 178.796 0.454 1 1 455 . 6 1 1 A 37 37 ARG CA C 37 59.450 59.452 -0.002 1 1 456 . 6 1 1 A 37 37 ARG CB C 37 30.200 30.154 0.046 1 1 459 . 6 1 1 A 37 37 ARG N N 37 118.400 119.944 -1.544 1 1 460 . 6 1 1 A 38 38 SER H H 38 7.830 8.068 -0.238 1 1 461 . 6 1 1 A 38 38 SER HA H 38 4.240 4.346 -0.106 1 1 464 . 6 1 1 A 38 38 SER C C 38 178.480 176.494 1.986 1 1 465 . 6 1 1 A 38 38 SER CA C 38 62.100 61.365 0.735 1 1 466 . 6 1 1 A 38 38 SER CB C 38 63.400 62.964 0.436 1 1 467 . 6 1 1 A 38 38 SER N N 38 119.400 115.301 4.099 1 1 468 . 6 1 1 A 39 39 LEU H H 39 7.280 8.431 -1.151 1 1 469 . 6 1 1 A 39 39 LEU HA H 39 4.360 4.466 -0.106 1 1 479 . 6 1 1 A 39 39 LEU C C 39 178.240 176.866 1.374 1 1 480 . 6 1 1 A 39 39 LEU CA C 39 54.300 55.450 -1.150 1 1 481 . 6 1 1 A 39 39 LEU CB C 39 42.100 42.662 -0.562 1 1 485 . 6 1 1 A 39 39 LEU N N 39 119.950 123.561 -3.611 1 1 486 . 6 1 1 A 40 40 GLY H H 40 7.740 8.858 -1.118 1 1 487 . 6 1 1 A 40 40 GLY HA2 H 40 4.140 3.904 0.236 1 1 488 . 6 1 1 A 40 40 GLY HA3 H 40 3.650 3.906 -0.256 1 1 489 . 6 1 1 A 40 40 GLY C C 40 176.140 173.603 2.537 1 1 490 . 6 1 1 A 40 40 GLY CA C 40 45.300 45.805 -0.505 1 1 491 . 6 1 1 A 40 40 GLY N N 40 105.750 108.645 -2.895 1 1 492 . 6 1 1 A 41 41 GLN H H 41 7.710 7.895 -0.185 1 1 493 . 6 1 1 A 41 41 GLN HA H 41 4.360 4.913 -0.553 1 1 500 . 6 1 1 A 41 41 GLN C C 41 176.700 173.868 2.832 1 1 501 . 6 1 1 A 41 41 GLN CA C 41 54.900 53.830 1.070 1 1 502 . 6 1 1 A 41 41 GLN CB C 41 29.600 32.788 -3.188 1 1 504 . 6 1 1 A 41 41 GLN N N 41 118.400 118.907 -0.507 1 1 506 . 6 1 1 A 42 42 ASN H H 42 8.640 8.829 -0.189 1 1 507 . 6 1 1 A 42 42 ASN HA H 42 5.150 5.391 -0.241 1 1 512 . 6 1 1 A 42 42 ASN CA C 42 51.200 50.597 0.603 1 1 513 . 6 1 1 A 42 42 ASN CB C 42 39.500 38.596 0.904 1 1 514 . 6 1 1 A 42 42 ASN N N 42 115.610 116.773 -1.163 1 1 516 . 6 1 1 A 43 43 PRO HA H 43 4.540 4.522 0.018 1 1 523 . 6 1 1 A 43 43 PRO C C 43 179.440 176.843 2.597 1 1 524 . 6 1 1 A 43 43 PRO CA C 43 62.450 63.051 -0.601 1 1 525 . 6 1 1 A 43 43 PRO CB C 43 31.500 31.837 -0.337 1 1 528 . 6 1 1 A 44 44 THR H H 44 8.660 8.046 0.614 1 1 529 . 6 1 1 A 44 44 THR HA H 44 4.340 4.485 -0.145 1 1 534 . 6 1 1 A 44 44 THR CA C 44 60.450 60.481 -0.031 1 1 535 . 6 1 1 A 44 44 THR CB C 44 71.400 70.967 0.433 1 1 537 . 6 1 1 A 44 44 THR N N 44 112.600 112.959 -0.359 1 1 538 . 6 1 1 A 45 45 GLU H H 45 8.720 9.050 -0.330 1 1 539 . 6 1 1 A 45 45 GLU HA H 45 3.870 4.022 -0.152 1 1 544 . 6 1 1 A 45 45 GLU C C 45 174.270 178.587 -4.317 1 1 545 . 6 1 1 A 45 45 GLU CA C 45 59.900 59.338 0.562 1 1 546 . 6 1 1 A 45 45 GLU CB C 45 29.200 29.152 0.048 1 1 548 . 6 1 1 A 45 45 GLU N N 45 120.150 121.156 -1.006 1 1 549 . 6 1 1 A 46 46 ALA H H 46 8.200 8.370 -0.170 1 1 550 . 6 1 1 A 46 46 ALA HA H 46 3.980 4.036 -0.056 1 1 554 . 6 1 1 A 46 46 ALA C C 46 175.180 180.011 -4.831 1 1 555 . 6 1 1 A 46 46 ALA CA C 46 55.100 54.860 0.240 1 1 556 . 6 1 1 A 46 46 ALA CB C 46 18.300 18.234 0.066 1 1 557 . 6 1 1 A 46 46 ALA N N 46 120.450 121.911 -1.461 1 1 558 . 6 1 1 A 47 47 GLU H H 47 7.630 7.811 -0.181 1 1 559 . 6 1 1 A 47 47 GLU HA H 47 3.890 4.127 -0.237 1 1 564 . 6 1 1 A 47 47 GLU C C 47 179.020 179.071 -0.051 1 1 565 . 6 1 1 A 47 47 GLU CA C 47 59.500 58.806 0.694 1 1 566 . 6 1 1 A 47 47 GLU CB C 47 29.600 29.338 0.262 1 1 568 . 6 1 1 A 47 47 GLU N N 47 118.320 118.492 -0.172 1 1 569 . 6 1 1 A 48 48 LEU H H 48 7.880 8.211 -0.331 1 1 570 . 6 1 1 A 48 48 LEU HA H 48 3.790 3.963 -0.173 1 1 580 . 6 1 1 A 48 48 LEU C C 48 180.200 179.870 0.330 1 1 581 . 6 1 1 A 48 48 LEU CA C 48 58.150 57.935 0.215 1 1 582 . 6 1 1 A 48 48 LEU CB C 48 42.800 41.727 1.073 1 1 586 . 6 1 1 A 48 48 LEU N N 48 119.000 120.141 -1.141 1 1 587 . 6 1 1 A 49 49 GLN H H 49 8.080 7.752 0.328 1 1 588 . 6 1 1 A 49 49 GLN HA H 49 3.630 3.990 -0.360 1 1 595 . 6 1 1 A 49 49 GLN C C 49 177.680 178.213 -0.533 1 1 596 . 6 1 1 A 49 49 GLN CA C 49 58.600 58.966 -0.366 1 1 597 . 6 1 1 A 49 49 GLN CB C 49 28.500 28.505 -0.005 1 1 599 . 6 1 1 A 49 49 GLN N N 49 117.400 118.797 -1.397 1 1 601 . 6 1 1 A 50 50 ASP H H 50 7.960 8.269 -0.309 1 1 602 . 6 1 1 A 50 50 ASP HA H 50 4.300 4.379 -0.079 1 1 605 . 6 1 1 A 50 50 ASP C C 50 178.470 179.117 -0.647 1 1 606 . 6 1 1 A 50 50 ASP CA C 50 57.700 57.576 0.124 1 1 607 . 6 1 1 A 50 50 ASP CB C 50 40.600 40.617 -0.017 1 1 608 . 6 1 1 A 50 50 ASP N N 50 119.050 120.191 -1.141 1 1 609 . 6 1 1 A 51 51 MET H H 51 7.750 8.311 -0.561 1 1 610 . 6 1 1 A 51 51 MET HA H 51 4.000 4.166 -0.166 1 1 618 . 6 1 1 A 51 51 MET C C 51 178.170 178.821 -0.651 1 1 619 . 6 1 1 A 51 51 MET CA C 51 59.500 58.727 0.773 1 1 620 . 6 1 1 A 51 51 MET CB C 51 34.700 32.979 1.721 1 1 623 . 6 1 1 A 51 51 MET N N 51 117.900 118.369 -0.469 1 1 624 . 6 1 1 A 52 52 ILE H H 52 7.580 7.911 -0.331 1 1 625 . 6 1 1 A 52 52 ILE HA H 52 3.620 3.520 0.100 1 1 635 . 6 1 1 A 52 52 ILE C C 52 178.690 177.895 0.795 1 1 636 . 6 1 1 A 52 52 ILE CA C 52 63.600 65.245 -1.645 1 1 637 . 6 1 1 A 52 52 ILE CB C 52 36.700 37.767 -1.067 1 1 641 . 6 1 1 A 52 52 ILE N N 52 116.850 119.289 -2.439 1 1 642 . 6 1 1 A 53 53 ASN H H 53 8.570 8.419 0.151 1 1 643 . 6 1 1 A 53 53 ASN HA H 53 4.310 4.419 -0.109 1 1 648 . 6 1 1 A 53 53 ASN CA C 53 56.400 56.472 -0.072 1 1 649 . 6 1 1 A 53 53 ASN CB C 53 38.300 37.944 0.356 1 1 650 . 6 1 1 A 53 53 ASN N N 53 116.900 118.391 -1.491 1 1 652 . 6 1 1 A 54 54 GLU H H 54 7.520 7.664 -0.144 1 1 653 . 6 1 1 A 54 54 GLU HA H 54 3.950 4.085 -0.135 1 1 658 . 6 1 1 A 54 54 GLU C C 54 178.070 178.698 -0.628 1 1 659 . 6 1 1 A 54 54 GLU CA C 54 59.000 59.169 -0.169 1 1 660 . 6 1 1 A 54 54 GLU CB C 54 29.800 29.340 0.460 1 1 662 . 6 1 1 A 54 54 GLU N N 54 115.650 120.716 -5.066 1 1 663 . 6 1 1 A 55 55 VAL H H 55 7.020 7.210 -0.190 1 1 664 . 6 1 1 A 55 55 VAL HA H 55 4.110 4.014 0.096 1 1 672 . 6 1 1 A 55 55 VAL C C 55 177.890 176.431 1.459 1 1 673 . 6 1 1 A 55 55 VAL CA C 55 61.210 64.841 -3.631 1 1 674 . 6 1 1 A 55 55 VAL CB C 55 33.100 32.054 1.046 1 1 677 . 6 1 1 A 55 55 VAL N N 55 111.500 117.770 -6.270 1 1 678 . 6 1 1 A 56 56 ASP H H 56 7.460 7.968 -0.508 1 1 679 . 6 1 1 A 56 56 ASP HA H 56 4.360 4.671 -0.311 1 1 682 . 6 1 1 A 56 56 ASP C C 56 177.620 176.607 1.013 1 1 683 . 6 1 1 A 56 56 ASP CA C 56 53.550 53.678 -0.128 1 1 684 . 6 1 1 A 56 56 ASP CB C 56 40.600 40.599 0.001 1 1 685 . 6 1 1 A 56 56 ASP N N 56 121.330 121.666 -0.336 1 1 686 . 6 1 1 A 57 57 ALA H H 57 7.780 8.288 -0.508 1 1 687 . 6 1 1 A 57 57 ALA HA H 57 4.080 4.080 0.000 1 1 691 . 6 1 1 A 57 57 ALA C C 57 175.320 178.379 -3.059 1 1 692 . 6 1 1 A 57 57 ALA CA C 57 55.000 55.005 -0.005 1 1 693 . 6 1 1 A 57 57 ALA CB C 57 19.800 18.567 1.233 1 1 694 . 6 1 1 A 57 57 ALA N N 57 130.400 128.126 2.274 1 1 695 . 6 1 1 A 58 58 ASP H H 58 8.140 8.049 0.091 1 1 696 . 6 1 1 A 58 58 ASP HA H 58 4.540 4.573 -0.033 1 1 699 . 6 1 1 A 58 58 ASP C C 58 176.130 177.513 -1.383 1 1 700 . 6 1 1 A 58 58 ASP CA C 58 52.950 53.219 -0.269 1 1 701 . 6 1 1 A 58 58 ASP CB C 58 40.100 39.998 0.102 1 1 702 . 6 1 1 A 58 58 ASP N N 58 113.200 113.210 -0.010 1 1 703 . 6 1 1 A 59 59 GLY H H 59 7.530 7.654 -0.124 1 1 704 . 6 1 1 A 59 59 GLY HA2 H 59 3.700 3.915 -0.215 1 1 705 . 6 1 1 A 59 59 GLY HA3 H 59 3.820 3.917 -0.097 1 1 706 . 6 1 1 A 59 59 GLY C C 59 178.830 175.283 3.547 1 1 707 . 6 1 1 A 59 59 GLY CA C 59 47.450 46.970 0.480 1 1 708 . 6 1 1 A 59 59 GLY N N 59 108.180 109.264 -1.084 1 1 709 . 6 1 1 A 60 60 ASN H H 60 8.080 8.603 -0.523 1 1 710 . 6 1 1 A 60 60 ASN HA H 60 4.500 4.687 -0.187 1 1 715 . 6 1 1 A 60 60 ASN CA C 60 52.900 52.560 0.340 1 1 716 . 6 1 1 A 60 60 ASN CB C 60 37.900 37.905 -0.005 1 1 717 . 6 1 1 A 60 60 ASN N N 60 118.700 118.555 0.145 1 1 719 . 6 1 1 A 61 61 GLY H H 61 10.640 10.089 0.551 1 1 720 . 6 1 1 A 61 61 GLY HA2 H 61 3.370 3.885 -0.515 1 1 721 . 6 1 1 A 61 61 GLY HA3 H 61 4.190 3.887 0.303 1 1 722 . 6 1 1 A 61 61 GLY C C 61 174.970 173.441 1.529 1 1 723 . 6 1 1 A 61 61 GLY CA C 61 45.300 45.382 -0.082 1 1 724 . 6 1 1 A 61 61 GLY N N 61 113.400 111.842 1.558 1 1 725 . 6 1 1 A 62 62 THR H H 62 7.550 7.703 -0.153 1 1 726 . 6 1 1 A 62 62 THR HA H 62 4.620 4.927 -0.307 1 1 731 . 6 1 1 A 62 62 THR C C 62 176.870 172.681 4.189 1 1 732 . 6 1 1 A 62 62 THR CA C 62 59.550 59.692 -0.142 1 1 733 . 6 1 1 A 62 62 THR CB C 62 72.500 72.636 -0.136 1 1 735 . 6 1 1 A 62 62 THR N N 62 107.860 109.806 -1.946 1 1 736 . 6 1 1 A 63 63 ILE H H 63 8.790 8.457 0.333 1 1 737 . 6 1 1 A 63 63 ILE HA H 63 5.280 5.008 0.272 1 1 747 . 6 1 1 A 63 63 ILE C C 63 173.250 174.627 -1.377 1 1 748 . 6 1 1 A 63 63 ILE CA C 63 57.600 59.923 -2.323 1 1 749 . 6 1 1 A 63 63 ILE CB C 63 39.400 39.686 -0.286 1 1 753 . 6 1 1 A 63 63 ILE N N 63 123.900 121.437 2.463 1 1 754 . 6 1 1 A 64 64 ASP H H 64 8.720 8.833 -0.113 1 1 755 . 6 1 1 A 64 64 ASP HA H 64 5.350 4.952 0.398 1 1 758 . 6 1 1 A 64 64 ASP C C 64 172.850 176.929 -4.079 1 1 759 . 6 1 1 A 64 64 ASP CA C 64 52.100 52.090 0.010 1 1 760 . 6 1 1 A 64 64 ASP CB C 64 42.150 43.477 -1.327 1 1 761 . 6 1 1 A 64 64 ASP N N 64 127.860 128.289 -0.429 1 1 762 . 6 1 1 A 65 65 PHE H H 65 8.840 9.215 -0.375 1 1 763 . 6 1 1 A 65 65 PHE HA H 65 3.890 4.850 -0.960 1 1 771 . 6 1 1 A 65 65 PHE C C 65 175.750 174.567 1.183 1 1 772 . 6 1 1 A 65 65 PHE CA C 65 63.300 63.846 -0.546 1 1 773 . 6 1 1 A 65 65 PHE CB C 65 36.100 37.315 -1.215 1 1 779 . 6 1 1 A 65 65 PHE N N 65 117.500 124.913 -7.413 1 1 780 . 6 1 1 A 66 66 PRO HA H 66 3.770 4.335 -0.565 1 1 787 . 6 1 1 A 66 66 PRO C C 66 175.840 179.333 -3.493 1 1 788 . 6 1 1 A 66 66 PRO CA C 66 67.100 66.473 0.627 1 1 789 . 6 1 1 A 66 66 PRO CB C 66 30.700 30.928 -0.228 1 1 792 . 6 1 1 A 67 67 GLU H H 67 8.340 8.761 -0.421 1 1 793 . 6 1 1 A 67 67 GLU HA H 67 3.920 4.127 -0.207 1 1 798 . 6 1 1 A 67 67 GLU CA C 67 59.400 59.176 0.224 1 1 799 . 6 1 1 A 67 67 GLU CB C 67 29.650 29.212 0.438 1 1 801 . 6 1 1 A 67 67 GLU N N 67 117.850 117.816 0.034 1 1 802 . 6 1 1 A 68 68 PHE H H 68 8.630 8.318 0.312 1 1 803 . 6 1 1 A 68 68 PHE HA H 68 3.670 4.201 -0.531 1 1 811 . 6 1 1 A 68 68 PHE C C 68 174.810 177.452 -2.642 1 1 812 . 6 1 1 A 68 68 PHE CA C 68 61.400 61.340 0.060 1 1 813 . 6 1 1 A 68 68 PHE CB C 68 40.700 39.197 1.503 1 1 819 . 6 1 1 A 68 68 PHE N N 68 123.200 123.357 -0.157 1 1 820 . 6 1 1 A 69 69 LEU H H 69 8.800 8.724 0.076 1 1 821 . 6 1 1 A 69 69 LEU HA H 69 3.130 3.875 -0.745 1 1 831 . 6 1 1 A 69 69 LEU C C 69 179.310 178.986 0.324 1 1 832 . 6 1 1 A 69 69 LEU CA C 69 58.000 58.182 -0.182 1 1 833 . 6 1 1 A 69 69 LEU CB C 69 41.550 41.755 -0.205 1 1 837 . 6 1 1 A 69 69 LEU N N 69 119.930 120.071 -0.141 1 1 838 . 6 1 1 A 70 70 THR H H 70 7.550 7.792 -0.242 1 1 839 . 6 1 1 A 70 70 THR HA H 70 3.530 3.798 -0.268 1 1 844 . 6 1 1 A 70 70 THR C C 70 180.360 176.636 3.724 1 1 845 . 6 1 1 A 70 70 THR CA C 70 66.700 66.836 -0.136 1 1 846 . 6 1 1 A 70 70 THR CB C 70 68.500 68.204 0.296 1 1 848 . 6 1 1 A 70 70 THR N N 70 114.730 114.767 -0.037 1 1 849 . 6 1 1 A 71 71 MET H H 71 7.000 8.028 -1.028 1 1 850 . 6 1 1 A 71 71 MET HA H 71 3.640 4.124 -0.484 1 1 858 . 6 1 1 A 71 71 MET C C 71 176.750 178.353 -1.603 1 1 859 . 6 1 1 A 71 71 MET CA C 71 58.800 58.054 0.746 1 1 860 . 6 1 1 A 71 71 MET CB C 71 32.000 32.337 -0.337 1 1 863 . 6 1 1 A 71 71 MET N N 71 119.750 118.331 1.419 1 1 864 . 6 1 1 A 72 72 MET H H 72 7.810 8.074 -0.264 1 1 865 . 6 1 1 A 72 72 MET HA H 72 3.880 4.171 -0.291 1 1 873 . 6 1 1 A 72 72 MET C C 72 174.850 178.217 -3.367 1 1 874 . 6 1 1 A 72 72 MET CA C 72 55.100 59.014 -3.914 1 1 875 . 6 1 1 A 72 72 MET CB C 72 28.900 32.959 -4.059 1 1 878 . 6 1 1 A 72 72 MET N N 72 115.300 118.548 -3.248 1 1 879 . 6 1 1 A 73 73 ALA H H 73 7.880 8.137 -0.257 1 1 880 . 6 1 1 A 73 73 ALA HA H 73 3.990 3.990 0.000 1 1 884 . 6 1 1 A 73 73 ALA C C 73 177.940 179.987 -2.047 1 1 885 . 6 1 1 A 73 73 ALA CA C 73 53.900 55.260 -1.360 1 1 886 . 6 1 1 A 73 73 ALA CB C 73 18.600 18.308 0.292 1 1 887 . 6 1 1 A 73 73 ALA N N 73 120.000 120.975 -0.975 1 1 888 . 6 1 1 A 74 74 ARG H H 74 7.050 7.446 -0.396 1 1 889 . 6 1 1 A 74 74 ARG HA H 74 4.040 4.116 -0.076 1 1 896 . 6 1 1 A 74 74 ARG C C 74 178.910 176.897 2.013 1 1 897 . 6 1 1 A 74 74 ARG CA C 74 57.400 58.303 -0.903 1 1 898 . 6 1 1 A 74 74 ARG CB C 74 30.900 30.273 0.627 1 1 901 . 6 1 1 A 74 74 ARG N N 74 115.850 118.256 -2.406 1 1 902 . 6 1 1 A 75 75 LYS H H 75 7.820 7.724 0.096 1 1 903 . 6 1 1 A 75 75 LYS HA H 75 4.200 4.319 -0.119 1 1 912 . 6 1 1 A 75 75 LYS C C 75 178.770 176.568 2.202 1 1 913 . 6 1 1 A 75 75 LYS CA C 75 55.900 55.020 0.880 1 1 914 . 6 1 1 A 75 75 LYS CB C 75 32.600 30.928 1.672 1 1 918 . 6 1 1 A 75 75 LYS N N 75 119.600 118.565 1.035 1 1 919 . 6 1 1 A 76 76 MET H H 76 8.100 8.273 -0.173 1 1 920 . 6 1 1 A 76 76 MET HA H 76 4.300 4.840 -0.540 1 1 928 . 6 1 1 A 76 76 MET C C 76 176.990 175.826 1.164 1 1 929 . 6 1 1 A 76 76 MET CA C 76 55.800 53.957 1.843 1 1 930 . 6 1 1 A 76 76 MET CB C 76 33.800 32.925 0.875 1 1 933 . 6 1 1 A 76 76 MET N N 76 122.300 124.378 -2.078 1 1 934 . 6 1 1 A 77 77 LYS H H 77 8.150 7.606 0.544 1 1 935 . 6 1 1 A 77 77 LYS HA H 77 4.210 4.095 0.115 1 1 944 . 6 1 1 A 77 77 LYS C C 77 176.890 175.909 0.981 1 1 945 . 6 1 1 A 77 77 LYS CA C 77 56.100 56.859 -0.759 1 1 946 . 6 1 1 A 77 77 LYS CB C 77 33.000 32.815 0.185 1 1 950 . 6 1 1 A 77 77 LYS N N 77 121.300 122.356 -1.056 1 1 951 . 6 1 1 A 78 78 ASP H H 78 8.240 8.567 -0.327 1 1 952 . 6 1 1 A 78 78 ASP HA H 78 4.500 4.908 -0.408 1 1 955 . 6 1 1 A 78 78 ASP C C 78 176.090 175.142 0.948 1 1 956 . 6 1 1 A 78 78 ASP CA C 78 54.700 53.816 0.884 1 1 957 . 6 1 1 A 78 78 ASP CB C 78 41.300 41.662 -0.362 1 1 958 . 6 1 1 A 78 78 ASP N N 78 122.200 125.200 -3.000 1 1 959 . 6 1 1 A 79 79 THR H H 79 8.150 8.761 -0.611 1 1 960 . 6 1 1 A 79 79 THR HA H 79 4.220 4.722 -0.502 1 1 965 . 6 1 1 A 79 79 THR C C 79 176.240 173.412 2.828 1 1 966 . 6 1 1 A 79 79 THR CA C 79 61.500 62.203 -0.703 1 1 967 . 6 1 1 A 79 79 THR CB C 79 70.300 69.734 0.566 1 1 969 . 6 1 1 A 79 79 THR N N 79 114.940 120.691 -5.751 1 1 970 . 6 1 1 A 80 80 ASP H H 80 8.480 8.860 -0.380 1 1 971 . 6 1 1 A 80 80 ASP HA H 80 4.600 4.709 -0.109 1 1 974 . 6 1 1 A 80 80 ASP C C 80 176.230 176.656 -0.426 1 1 975 . 6 1 1 A 80 80 ASP CA C 80 54.100 54.445 -0.345 1 1 976 . 6 1 1 A 80 80 ASP CB C 80 41.600 40.731 0.869 1 1 977 . 6 1 1 A 80 80 ASP N N 80 123.800 127.834 -4.034 1 1 978 . 6 1 1 A 81 81 SER H H 81 8.500 8.942 -0.442 1 1 979 . 6 1 1 A 81 81 SER HA H 81 4.220 4.096 0.124 1 1 982 . 6 1 1 A 81 81 SER C C 81 173.900 176.742 -2.842 1 1 983 . 6 1 1 A 81 81 SER CA C 81 60.400 61.787 -1.387 1 1 984 . 6 1 1 A 81 81 SER CB C 81 63.700 62.709 0.991 1 1 985 . 6 1 1 A 81 81 SER N N 81 118.450 119.420 -0.970 1 1 986 . 6 1 1 A 82 82 GLU H H 82 8.430 8.001 0.429 1 1 987 . 6 1 1 A 82 82 GLU HA H 82 4.010 4.175 -0.165 1 1 992 . 6 1 1 A 82 82 GLU C C 82 176.370 179.219 -2.849 1 1 993 . 6 1 1 A 82 82 GLU CA C 82 59.100 59.255 -0.155 1 1 994 . 6 1 1 A 82 82 GLU CB C 82 29.600 29.415 0.185 1 1 996 . 6 1 1 A 82 82 GLU N N 82 121.850 121.058 0.792 1 1 997 . 6 1 1 A 83 83 GLU H H 83 8.020 8.554 -0.534 1 1 998 . 6 1 1 A 83 83 GLU HA H 83 4.040 4.025 0.015 1 1 1003 . 6 1 1 A 83 83 GLU C C 83 175.890 178.848 -2.958 1 1 1004 . 6 1 1 A 83 83 GLU CA C 83 58.800 59.429 -0.629 1 1 1005 . 6 1 1 A 83 83 GLU CB C 83 29.400 29.310 0.090 1 1 1007 . 6 1 1 A 83 83 GLU N N 83 119.470 119.878 -0.408 1 1 1008 . 6 1 1 A 84 84 GLU H H 84 7.930 7.859 0.071 1 1 1009 . 6 1 1 A 84 84 GLU HA H 84 4.150 4.157 -0.007 1 1 1014 . 6 1 1 A 84 84 GLU C C 84 176.160 179.444 -3.284 1 1 1015 . 6 1 1 A 84 84 GLU CA C 84 59.400 58.788 0.612 1 1 1016 . 6 1 1 A 84 84 GLU CB C 84 29.600 29.475 0.125 1 1 1018 . 6 1 1 A 84 84 GLU N N 84 118.310 119.370 -1.060 1 1 1019 . 6 1 1 A 85 85 ILE H H 85 7.880 8.170 -0.290 1 1 1020 . 6 1 1 A 85 85 ILE HA H 85 3.880 3.719 0.161 1 1 1030 . 6 1 1 A 85 85 ILE C C 85 179.870 177.565 2.305 1 1 1031 . 6 1 1 A 85 85 ILE CA C 85 65.400 64.986 0.414 1 1 1032 . 6 1 1 A 85 85 ILE CB C 85 37.400 37.627 -0.227 1 1 1036 . 6 1 1 A 85 85 ILE N N 85 120.900 120.967 -0.067 1 1 1037 . 6 1 1 A 86 86 ARG H H 86 7.990 8.327 -0.337 1 1 1038 . 6 1 1 A 86 86 ARG HA H 86 4.030 4.031 -0.001 1 1 1045 . 6 1 1 A 86 86 ARG C C 86 180.520 179.246 1.274 1 1 1046 . 6 1 1 A 86 86 ARG CA C 86 60.200 60.069 0.131 1 1 1047 . 6 1 1 A 86 86 ARG CB C 86 29.800 29.765 0.035 1 1 1050 . 6 1 1 A 86 86 ARG N N 86 121.000 119.548 1.452 1 1 1051 . 6 1 1 A 87 87 GLU H H 87 8.350 8.550 -0.200 1 1 1052 . 6 1 1 A 87 87 GLU HA H 87 3.900 4.085 -0.185 1 1 1057 . 6 1 1 A 87 87 GLU C C 87 177.380 179.557 -2.177 1 1 1058 . 6 1 1 A 87 87 GLU CA C 87 59.600 59.441 0.159 1 1 1059 . 6 1 1 A 87 87 GLU CB C 87 29.500 29.728 -0.228 1 1 1061 . 6 1 1 A 87 87 GLU N N 87 117.860 119.889 -2.029 1 1 1062 . 6 1 1 A 88 88 ALA H H 88 7.880 7.899 -0.019 1 1 1063 . 6 1 1 A 88 88 ALA HA H 88 4.060 4.256 -0.196 1 1 1067 . 6 1 1 A 88 88 ALA C C 88 178.580 179.742 -1.162 1 1 1068 . 6 1 1 A 88 88 ALA CA C 88 55.200 54.895 0.305 1 1 1069 . 6 1 1 A 88 88 ALA CB C 88 17.900 18.218 -0.318 1 1 1070 . 6 1 1 A 88 88 ALA N N 88 120.100 122.730 -2.630 1 1 1071 . 6 1 1 A 89 89 PHE H H 89 8.550 7.911 0.639 1 1 1072 . 6 1 1 A 89 89 PHE HA H 89 4.000 3.746 0.254 1 1 1080 . 6 1 1 A 89 89 PHE C C 89 179.770 177.397 2.373 1 1 1081 . 6 1 1 A 89 89 PHE CA C 89 61.800 61.235 0.565 1 1 1082 . 6 1 1 A 89 89 PHE CB C 89 39.130 39.075 0.055 1 1 1088 . 6 1 1 A 89 89 PHE N N 89 118.760 119.482 -0.722 1 1 1089 . 6 1 1 A 90 90 ARG H H 90 7.750 7.858 -0.108 1 1 1090 . 6 1 1 A 90 90 ARG HA H 90 3.760 4.016 -0.256 1 1 1097 . 6 1 1 A 90 90 ARG C C 90 179.090 178.774 0.316 1 1 1098 . 6 1 1 A 90 90 ARG CA C 90 58.800 59.124 -0.324 1 1 1099 . 6 1 1 A 90 90 ARG CB C 90 30.500 29.808 0.692 1 1 1102 . 6 1 1 A 90 90 ARG N N 90 115.100 118.464 -3.364 1 1 1103 . 6 1 1 A 91 91 VAL H H 91 7.270 7.536 -0.266 1 1 1104 . 6 1 1 A 91 91 VAL HA H 91 3.360 3.583 -0.223 1 1 1112 . 6 1 1 A 91 91 VAL C C 91 179.060 177.799 1.261 1 1 1113 . 6 1 1 A 91 91 VAL CA C 91 66.050 66.412 -0.362 1 1 1114 . 6 1 1 A 91 91 VAL CB C 91 31.200 31.703 -0.503 1 1 1117 . 6 1 1 A 91 91 VAL N N 91 117.450 119.495 -2.045 1 1 1118 . 6 1 1 A 92 92 PHE H H 92 7.000 7.866 -0.866 1 1 1119 . 6 1 1 A 92 92 PHE HA H 92 4.070 4.152 -0.082 1 1 1127 . 6 1 1 A 92 92 PHE C C 92 177.490 176.423 1.067 1 1 1128 . 6 1 1 A 92 92 PHE CA C 92 60.700 59.785 0.915 1 1 1129 . 6 1 1 A 92 92 PHE CB C 92 38.000 39.447 -1.447 1 1 1135 . 6 1 1 A 92 92 PHE N N 92 114.400 118.445 -4.045 1 1 1136 . 6 1 1 A 93 93 ASP H H 93 7.870 8.172 -0.302 1 1 1137 . 6 1 1 A 93 93 ASP HA H 93 4.450 4.418 0.032 1 1 1140 . 6 1 1 A 93 93 ASP C C 93 176.830 176.240 0.590 1 1 1141 . 6 1 1 A 93 93 ASP CA C 93 52.300 52.250 0.050 1 1 1142 . 6 1 1 A 93 93 ASP CB C 93 38.800 38.972 -0.172 1 1 1143 . 6 1 1 A 93 93 ASP N N 93 115.100 116.977 -1.877 1 1 1144 . 6 1 1 A 94 94 LYS H H 94 7.510 7.829 -0.319 1 1 1145 . 6 1 1 A 94 94 LYS HA H 94 3.770 3.776 -0.006 1 1 1154 . 6 1 1 A 94 94 LYS C C 94 176.650 177.651 -1.001 1 1 1155 . 6 1 1 A 94 94 LYS CA C 94 59.400 59.884 -0.484 1 1 1156 . 6 1 1 A 94 94 LYS CB C 94 32.800 32.128 0.672 1 1 1160 . 6 1 1 A 94 94 LYS N N 94 124.250 126.584 -2.334 1 1 1161 . 6 1 1 A 95 95 ASP H H 95 8.190 7.708 0.482 1 1 1162 . 6 1 1 A 95 95 ASP HA H 95 4.430 4.587 -0.157 1 1 1165 . 6 1 1 A 95 95 ASP C C 95 177.580 177.587 -0.007 1 1 1166 . 6 1 1 A 95 95 ASP CA C 95 53.600 53.173 0.427 1 1 1167 . 6 1 1 A 95 95 ASP CB C 95 39.900 39.930 -0.030 1 1 1168 . 6 1 1 A 95 95 ASP N N 95 113.600 114.992 -1.392 1 1 1169 . 6 1 1 A 96 96 GLY H H 96 7.770 7.931 -0.161 1 1 1170 . 6 1 1 A 96 96 GLY HA2 H 96 3.750 3.861 -0.111 1 1 1171 . 6 1 1 A 96 96 GLY HA3 H 96 3.750 3.879 -0.129 1 1 1172 . 6 1 1 A 96 96 GLY C C 96 178.400 175.425 2.975 1 1 1173 . 6 1 1 A 96 96 GLY CA C 96 47.100 46.979 0.121 1 1 1174 . 6 1 1 A 96 96 GLY N N 96 108.900 109.083 -0.183 1 1 1175 . 6 1 1 A 97 97 ASN H H 97 8.270 7.997 0.273 1 1 1176 . 6 1 1 A 97 97 ASN HA H 97 4.520 4.712 -0.192 1 1 1181 . 6 1 1 A 97 97 ASN CA C 97 52.900 52.378 0.522 1 1 1182 . 6 1 1 A 97 97 ASN CB C 97 38.100 38.041 0.059 1 1 1183 . 6 1 1 A 97 97 ASN N N 97 119.460 118.817 0.643 1 1 1185 . 6 1 1 A 98 98 GLY H H 98 10.660 9.255 1.405 1 1 1186 . 6 1 1 A 98 98 GLY HA2 H 98 3.330 3.368 -0.038 1 1 1187 . 6 1 1 A 98 98 GLY HA3 H 98 3.960 3.743 0.217 1 1 1188 . 6 1 1 A 98 98 GLY C C 98 178.360 172.510 5.850 1 1 1189 . 6 1 1 A 98 98 GLY CA C 98 45.800 45.116 0.684 1 1 1190 . 6 1 1 A 98 98 GLY N N 98 112.700 111.189 1.511 1 1 1191 . 6 1 1 A 99 99 TYR H H 99 7.570 8.649 -1.079 1 1 1192 . 6 1 1 A 99 99 TYR HA H 99 4.850 5.397 -0.547 1 1 1199 . 6 1 1 A 99 99 TYR C C 99 176.090 174.977 1.113 1 1 1200 . 6 1 1 A 99 99 TYR CA C 99 56.250 56.010 0.240 1 1 1201 . 6 1 1 A 99 99 TYR CB C 99 42.700 43.174 -0.474 1 1 1206 . 6 1 1 A 99 99 TYR N N 99 115.850 117.348 -1.498 1 1 1207 . 6 1 1 A 100 100 ILE H H 100 10.120 9.216 0.904 1 1 1208 . 6 1 1 A 100 100 ILE HA H 100 4.600 4.784 -0.184 1 1 1218 . 6 1 1 A 100 100 ILE C C 100 172.730 175.667 -2.937 1 1 1219 . 6 1 1 A 100 100 ILE CA C 100 61.500 60.561 0.939 1 1 1220 . 6 1 1 A 100 100 ILE CB C 100 39.300 39.018 0.282 1 1 1224 . 6 1 1 A 100 100 ILE N N 100 127.260 124.581 2.679 1 1 1225 . 6 1 1 A 101 101 SER H H 101 9.010 9.131 -0.121 1 1 1226 . 6 1 1 A 101 101 SER HA H 101 4.820 4.601 0.219 1 1 1229 . 6 1 1 A 101 101 SER C C 101 174.660 175.818 -1.158 1 1 1230 . 6 1 1 A 101 101 SER CA C 101 55.900 58.160 -2.260 1 1 1231 . 6 1 1 A 101 101 SER CB C 101 67.000 64.423 2.577 1 1 1232 . 6 1 1 A 101 101 SER N N 101 123.850 123.742 0.108 1 1 1233 . 6 1 1 A 102 102 ALA H H 102 9.240 9.035 0.205 1 1 1234 . 6 1 1 A 102 102 ALA HA H 102 3.830 4.074 -0.244 1 1 1238 . 6 1 1 A 102 102 ALA C C 102 175.840 179.806 -3.966 1 1 1239 . 6 1 1 A 102 102 ALA CA C 102 56.170 55.822 0.348 1 1 1240 . 6 1 1 A 102 102 ALA CB C 102 18.200 17.991 0.209 1 1 1241 . 6 1 1 A 102 102 ALA N N 102 122.650 126.780 -4.130 1 1 1242 . 6 1 1 A 103 103 ALA H H 103 8.180 8.167 0.013 1 1 1243 . 6 1 1 A 103 103 ALA HA H 103 3.980 3.986 -0.006 1 1 1247 . 6 1 1 A 103 103 ALA C C 103 175.260 180.236 -4.976 1 1 1248 . 6 1 1 A 103 103 ALA CA C 103 55.200 55.213 -0.013 1 1 1249 . 6 1 1 A 103 103 ALA CB C 103 18.500 18.703 -0.203 1 1 1250 . 6 1 1 A 103 103 ALA N N 103 118.250 119.598 -1.348 1 1 1251 . 6 1 1 A 104 104 GLU H H 104 7.860 7.921 -0.061 1 1 1252 . 6 1 1 A 104 104 GLU HA H 104 3.890 3.924 -0.034 1 1 1257 . 6 1 1 A 104 104 GLU C C 104 179.350 179.067 0.283 1 1 1258 . 6 1 1 A 104 104 GLU CA C 104 59.800 59.427 0.373 1 1 1259 . 6 1 1 A 104 104 GLU CB C 104 29.500 29.638 -0.138 1 1 1261 . 6 1 1 A 104 104 GLU N N 104 120.200 118.074 2.126 1 1 1262 . 6 1 1 A 105 105 LEU H H 105 8.500 7.885 0.615 1 1 1263 . 6 1 1 A 105 105 LEU HA H 105 3.960 3.930 0.030 1 1 1273 . 6 1 1 A 105 105 LEU C C 105 179.190 178.811 0.379 1 1 1274 . 6 1 1 A 105 105 LEU CA C 105 58.400 57.846 0.554 1 1 1275 . 6 1 1 A 105 105 LEU CB C 105 42.600 41.570 1.030 1 1 1279 . 6 1 1 A 105 105 LEU N N 105 120.100 121.117 -1.017 1 1 1280 . 6 1 1 A 106 106 ARG H H 106 8.490 8.445 0.045 1 1 1281 . 6 1 1 A 106 106 ARG HA H 106 3.550 3.950 -0.400 1 1 1288 . 6 1 1 A 106 106 ARG C C 106 175.240 178.705 -3.465 1 1 1289 . 6 1 1 A 106 106 ARG CA C 106 60.300 59.798 0.502 1 1 1290 . 6 1 1 A 106 106 ARG CB C 106 30.400 29.806 0.594 1 1 1293 . 6 1 1 A 106 106 ARG N N 106 117.300 118.767 -1.467 1 1 1294 . 6 1 1 A 107 107 HIS H H 107 7.870 8.029 -0.159 1 1 1295 . 6 1 1 A 107 107 HIS HA H 107 4.120 4.187 -0.067 1 1 1300 . 6 1 1 A 107 107 HIS C C 107 176.690 176.989 -0.299 1 1 1301 . 6 1 1 A 107 107 HIS CA C 107 60.300 58.913 1.387 1 1 1302 . 6 1 1 A 107 107 HIS CB C 107 31.100 29.700 1.400 1 1 1304 . 6 1 1 A 107 107 HIS N N 107 120.000 120.404 -0.404 1 1 1306 . 6 1 1 A 108 108 VAL H H 108 8.190 8.908 -0.718 1 1 1307 . 6 1 1 A 108 108 VAL HA H 108 3.400 3.362 0.038 1 1 1315 . 6 1 1 A 108 108 VAL C C 108 178.430 177.822 0.608 1 1 1316 . 6 1 1 A 108 108 VAL CA C 108 66.500 66.401 0.099 1 1 1317 . 6 1 1 A 108 108 VAL CB C 108 31.800 31.229 0.571 1 1 1320 . 6 1 1 A 108 108 VAL N N 108 118.980 119.544 -0.564 1 1 1321 . 6 1 1 A 109 109 MET H H 109 8.180 8.221 -0.041 1 1 1322 . 6 1 1 A 109 109 MET HA H 109 4.220 4.045 0.175 1 1 1330 . 6 1 1 A 109 109 MET C C 109 179.690 178.818 0.872 1 1 1331 . 6 1 1 A 109 109 MET CA C 109 57.300 58.854 -1.554 1 1 1332 . 6 1 1 A 109 109 MET CB C 109 29.700 32.482 -2.782 1 1 1335 . 6 1 1 A 109 109 MET N N 109 114.980 117.500 -2.520 1 1 1336 . 6 1 1 A 110 110 THR H H 110 8.220 7.878 0.342 1 1 1337 . 6 1 1 A 110 110 THR HA H 110 4.000 3.778 0.222 1 1 1342 . 6 1 1 A 110 110 THR C C 110 176.410 176.385 0.025 1 1 1343 . 6 1 1 A 110 110 THR CA C 110 67.100 67.027 0.073 1 1 1344 . 6 1 1 A 110 110 THR CB C 110 68.500 67.942 0.558 1 1 1346 . 6 1 1 A 110 110 THR N N 110 116.970 115.095 1.875 1 1 1347 . 6 1 1 A 111 111 ASN H H 111 7.780 7.461 0.319 1 1 1348 . 6 1 1 A 111 111 ASN HA H 111 4.320 4.450 -0.130 1 1 1353 . 6 1 1 A 111 111 ASN CA C 111 55.800 56.059 -0.259 1 1 1354 . 6 1 1 A 111 111 ASN CB C 111 38.200 37.944 0.256 1 1 1355 . 6 1 1 A 111 111 ASN N N 111 122.350 119.006 3.344 1 1 1357 . 6 1 1 A 112 112 LEU H H 112 7.480 7.567 -0.087 1 1 1358 . 6 1 1 A 112 112 LEU HA H 112 4.210 4.255 -0.045 1 1 1368 . 6 1 1 A 112 112 LEU C C 112 178.710 176.985 1.725 1 1 1369 . 6 1 1 A 112 112 LEU CA C 112 55.100 55.325 -0.225 1 1 1370 . 6 1 1 A 112 112 LEU CB C 112 42.500 42.537 -0.037 1 1 1374 . 6 1 1 A 112 112 LEU N N 112 118.300 117.108 1.192 1 1 1375 . 6 1 1 A 113 113 GLY H H 113 7.740 7.945 -0.205 1 1 1376 . 6 1 1 A 113 113 GLY HA2 H 113 3.580 3.932 -0.352 1 1 1377 . 6 1 1 A 113 113 GLY HA3 H 113 4.140 3.942 0.198 1 1 1378 . 6 1 1 A 113 113 GLY C C 113 176.830 174.774 2.056 1 1 1379 . 6 1 1 A 113 113 GLY CA C 113 45.370 46.393 -1.023 1 1 1380 . 6 1 1 A 113 113 GLY N N 113 106.500 108.221 -1.721 1 1 1381 . 6 1 1 A 114 114 GLU H H 114 7.780 8.222 -0.442 1 1 1382 . 6 1 1 A 114 114 GLU HA H 114 4.240 4.357 -0.117 1 1 1387 . 6 1 1 A 114 114 GLU C C 114 176.790 175.972 0.818 1 1 1388 . 6 1 1 A 114 114 GLU CA C 114 54.800 56.548 -1.748 1 1 1389 . 6 1 1 A 114 114 GLU CB C 114 29.900 30.385 -0.485 1 1 1391 . 6 1 1 A 114 114 GLU N N 114 119.300 118.823 0.477 1 1 1392 . 6 1 1 A 115 115 LYS H H 115 8.540 7.839 0.701 1 1 1393 . 6 1 1 A 115 115 LYS HA H 115 4.270 3.774 0.496 1 1 1402 . 6 1 1 A 115 115 LYS C C 115 174.300 175.673 -1.373 1 1 1403 . 6 1 1 A 115 115 LYS CA C 115 55.500 57.093 -1.593 1 1 1404 . 6 1 1 A 115 115 LYS CB C 115 31.900 30.207 1.693 1 1 1408 . 6 1 1 A 115 115 LYS N N 115 125.000 116.600 8.400 1 1 1409 . 6 1 1 A 116 116 LEU H H 116 8.000 7.940 0.060 1 1 1410 . 6 1 1 A 116 116 LEU HA H 116 4.630 4.335 0.295 1 1 1420 . 6 1 1 A 116 116 LEU C C 116 175.060 177.884 -2.824 1 1 1421 . 6 1 1 A 116 116 LEU CA C 116 54.100 54.745 -0.645 1 1 1422 . 6 1 1 A 116 116 LEU CB C 116 44.100 42.582 1.518 1 1 1426 . 6 1 1 A 116 116 LEU N N 116 123.620 120.205 3.415 1 1 1427 . 6 1 1 A 117 117 THR H H 117 9.140 8.777 0.363 1 1 1428 . 6 1 1 A 117 117 THR HA H 117 4.340 4.640 -0.300 1 1 1433 . 6 1 1 A 117 117 THR C C 117 175.610 175.269 0.341 1 1 1434 . 6 1 1 A 117 117 THR CA C 117 60.500 60.641 -0.141 1 1 1435 . 6 1 1 A 117 117 THR CB C 117 71.100 71.403 -0.303 1 1 1437 . 6 1 1 A 117 117 THR N N 117 114.240 114.994 -0.754 1 1 1438 . 6 1 1 A 118 118 ASP H H 118 8.820 8.917 -0.097 1 1 1439 . 6 1 1 A 118 118 ASP HA H 118 4.100 4.227 -0.127 1 1 1442 . 6 1 1 A 118 118 ASP C C 118 178.610 177.926 0.684 1 1 1443 . 6 1 1 A 118 118 ASP CA C 118 58.000 58.070 -0.070 1 1 1444 . 6 1 1 A 118 118 ASP CB C 118 39.700 41.241 -1.541 1 1 1445 . 6 1 1 A 118 118 ASP N N 118 120.660 121.786 -1.126 1 1 1446 . 6 1 1 A 119 119 GLU H H 119 8.450 8.105 0.345 1 1 1447 . 6 1 1 A 119 119 GLU HA H 119 3.960 4.011 -0.051 1 1 1452 . 6 1 1 A 119 119 GLU C C 119 175.620 179.328 -3.708 1 1 1453 . 6 1 1 A 119 119 GLU CA C 119 59.800 59.634 0.166 1 1 1454 . 6 1 1 A 119 119 GLU CB C 119 29.400 29.268 0.132 1 1 1456 . 6 1 1 A 119 119 GLU N N 119 118.790 118.282 0.508 1 1 1457 . 6 1 1 A 120 120 GLU H H 120 7.570 7.624 -0.054 1 1 1458 . 6 1 1 A 120 120 GLU HA H 120 3.950 4.162 -0.212 1 1 1463 . 6 1 1 A 120 120 GLU C C 120 178.630 179.131 -0.501 1 1 1464 . 6 1 1 A 120 120 GLU CA C 120 59.600 58.373 1.227 1 1 1465 . 6 1 1 A 120 120 GLU CB C 120 29.400 29.177 0.223 1 1 1467 . 6 1 1 A 120 120 GLU N N 120 120.120 119.092 1.028 1 1 1468 . 6 1 1 A 121 121 VAL H H 121 7.750 8.162 -0.412 1 1 1469 . 6 1 1 A 121 121 VAL HA H 121 3.240 3.563 -0.323 1 1 1477 . 6 1 1 A 121 121 VAL C C 121 179.110 177.556 1.554 1 1 1478 . 6 1 1 A 121 121 VAL CA C 121 67.300 66.321 0.979 1 1 1479 . 6 1 1 A 121 121 VAL CB C 121 31.550 31.606 -0.056 1 1 1482 . 6 1 1 A 121 121 VAL N N 121 119.400 121.329 -1.929 1 1 1483 . 6 1 1 A 122 122 ASP H H 122 7.840 8.187 -0.347 1 1 1484 . 6 1 1 A 122 122 ASP HA H 122 4.260 4.380 -0.120 1 1 1487 . 6 1 1 A 122 122 ASP C C 122 178.890 178.770 0.120 1 1 1488 . 6 1 1 A 122 122 ASP CA C 122 57.700 57.425 0.275 1 1 1489 . 6 1 1 A 122 122 ASP CB C 122 40.200 40.132 0.068 1 1 1490 . 6 1 1 A 122 122 ASP N N 122 118.550 119.498 -0.948 1 1 1491 . 6 1 1 A 123 123 GLU H H 123 8.110 8.235 -0.125 1 1 1492 . 6 1 1 A 123 123 GLU HA H 123 3.880 4.050 -0.170 1 1 1497 . 6 1 1 A 123 123 GLU C C 123 177.710 178.928 -1.218 1 1 1498 . 6 1 1 A 123 123 GLU CA C 123 59.600 59.376 0.224 1 1 1499 . 6 1 1 A 123 123 GLU CB C 123 29.400 29.249 0.151 1 1 1501 . 6 1 1 A 123 123 GLU N N 123 119.670 119.946 -0.276 1 1 1502 . 6 1 1 A 124 124 MET H H 124 8.000 8.103 -0.103 1 1 1503 . 6 1 1 A 124 124 MET HA H 124 3.700 4.196 -0.496 1 1 1511 . 6 1 1 A 124 124 MET C C 124 179.020 178.811 0.209 1 1 1512 . 6 1 1 A 124 124 MET CA C 124 60.700 58.938 1.762 1 1 1513 . 6 1 1 A 124 124 MET CB C 124 33.200 32.885 0.315 1 1 1516 . 6 1 1 A 124 124 MET N N 124 118.100 118.804 -0.704 1 1 1517 . 6 1 1 A 125 125 ILE H H 125 8.220 7.846 0.374 1 1 1518 . 6 1 1 A 125 125 ILE HA H 125 3.610 3.626 -0.016 1 1 1528 . 6 1 1 A 125 125 ILE C C 125 179.410 178.051 1.359 1 1 1529 . 6 1 1 A 125 125 ILE CA C 125 64.200 65.033 -0.833 1 1 1530 . 6 1 1 A 125 125 ILE CB C 125 36.000 37.763 -1.763 1 1 1534 . 6 1 1 A 125 125 ILE N N 125 121.400 119.481 1.919 1 1 1535 . 6 1 1 A 126 126 ARG H H 126 8.510 7.939 0.571 1 1 1536 . 6 1 1 A 126 126 ARG HA H 126 3.930 3.889 0.041 1 1 1543 . 6 1 1 A 126 126 ARG C C 126 178.070 178.713 -0.643 1 1 1544 . 6 1 1 A 126 126 ARG CA C 126 59.500 59.726 -0.226 1 1 1545 . 6 1 1 A 126 126 ARG CB C 126 30.300 29.657 0.643 1 1 1548 . 6 1 1 A 126 126 ARG N N 126 117.650 120.230 -2.580 1 1 1549 . 6 1 1 A 127 127 GLU H H 127 7.820 8.198 -0.378 1 1 1550 . 6 1 1 A 127 127 GLU HA H 127 3.880 4.026 -0.146 1 1 1555 . 6 1 1 A 127 127 GLU C C 127 180.080 178.151 1.929 1 1 1556 . 6 1 1 A 127 127 GLU CA C 127 58.300 59.315 -1.015 1 1 1557 . 6 1 1 A 127 127 GLU CB C 127 29.800 29.254 0.546 1 1 1559 . 6 1 1 A 127 127 GLU N N 127 115.300 118.699 -3.399 1 1 1560 . 6 1 1 A 128 128 ALA H H 128 6.960 7.249 -0.289 1 1 1561 . 6 1 1 A 128 128 ALA HA H 128 4.340 4.344 -0.004 1 1 1565 . 6 1 1 A 128 128 ALA C C 128 181.640 177.151 4.489 1 1 1566 . 6 1 1 A 128 128 ALA CA C 128 51.700 52.235 -0.535 1 1 1567 . 6 1 1 A 128 128 ALA CB C 128 22.400 20.190 2.210 1 1 1568 . 6 1 1 A 128 128 ALA N N 128 115.890 121.090 -5.200 1 1 1569 . 6 1 1 A 129 129 ASP H H 129 8.210 7.844 0.366 1 1 1570 . 6 1 1 A 129 129 ASP HA H 129 4.360 4.569 -0.209 1 1 1573 . 6 1 1 A 129 129 ASP C C 129 176.420 176.672 -0.252 1 1 1574 . 6 1 1 A 129 129 ASP CA C 129 54.300 54.143 0.157 1 1 1575 . 6 1 1 A 129 129 ASP CB C 129 40.400 40.660 -0.260 1 1 1576 . 6 1 1 A 129 129 ASP N N 129 117.100 118.455 -1.355 1 1 1577 . 6 1 1 A 130 130 ILE H H 130 8.250 8.777 -0.527 1 1 1578 . 6 1 1 A 130 130 ILE HA H 130 3.800 4.049 -0.249 1 1 1588 . 6 1 1 A 130 130 ILE C C 130 177.960 175.424 2.536 1 1 1589 . 6 1 1 A 130 130 ILE CA C 130 63.500 62.439 1.061 1 1 1590 . 6 1 1 A 130 130 ILE CB C 130 38.500 38.415 0.085 1 1 1594 . 6 1 1 A 130 130 ILE N N 130 127.900 127.692 0.208 1 1 1595 . 6 1 1 A 131 131 ASP H H 131 8.220 7.606 0.614 1 1 1596 . 6 1 1 A 131 131 ASP HA H 131 4.400 4.953 -0.553 1 1 1599 . 6 1 1 A 131 131 ASP C C 131 175.850 175.900 -0.050 1 1 1600 . 6 1 1 A 131 131 ASP CA C 131 53.800 52.458 1.342 1 1 1601 . 6 1 1 A 131 131 ASP CB C 131 39.900 44.246 -4.346 1 1 1602 . 6 1 1 A 131 131 ASP N N 131 116.250 117.400 -1.150 1 1 1603 . 6 1 1 A 132 132 GLY H H 132 7.520 9.086 -1.566 1 1 1604 . 6 1 1 A 132 132 GLY HA2 H 132 3.700 3.893 -0.193 1 1 1605 . 6 1 1 A 132 132 GLY HA3 H 132 3.900 3.895 0.005 1 1 1606 . 6 1 1 A 132 132 GLY C C 132 177.820 175.056 2.764 1 1 1607 . 6 1 1 A 132 132 GLY CA C 132 47.400 47.219 0.181 1 1 1608 . 6 1 1 A 132 132 GLY N N 132 108.170 107.903 0.267 1 1 1609 . 6 1 1 A 133 133 ASP H H 133 8.240 8.345 -0.105 1 1 1610 . 6 1 1 A 133 133 ASP HA H 133 4.360 4.525 -0.165 1 1 1613 . 6 1 1 A 133 133 ASP C C 133 178.290 177.558 0.732 1 1 1614 . 6 1 1 A 133 133 ASP CA C 133 53.800 53.468 0.332 1 1 1615 . 6 1 1 A 133 133 ASP CB C 133 40.300 40.276 0.024 1 1 1616 . 6 1 1 A 133 133 ASP N N 133 120.370 120.074 0.296 1 1 1617 . 6 1 1 A 134 134 GLY H H 134 10.140 9.470 0.670 1 1 1618 . 6 1 1 A 134 134 GLY HA2 H 134 3.300 3.826 -0.526 1 1 1619 . 6 1 1 A 134 134 GLY HA3 H 134 3.930 3.834 0.096 1 1 1620 . 6 1 1 A 134 134 GLY C C 134 175.350 173.230 2.120 1 1 1621 . 6 1 1 A 134 134 GLY CA C 134 45.900 45.618 0.282 1 1 1622 . 6 1 1 A 134 134 GLY N N 134 112.150 111.301 0.849 1 1 1623 . 6 1 1 A 135 135 GLN H H 135 7.910 8.096 -0.186 1 1 1624 . 6 1 1 A 135 135 GLN HA H 135 4.870 4.974 -0.104 1 1 1631 . 6 1 1 A 135 135 GLN C C 135 177.620 174.480 3.140 1 1 1632 . 6 1 1 A 135 135 GLN CA C 135 53.300 53.614 -0.314 1 1 1633 . 6 1 1 A 135 135 GLN CB C 135 33.000 32.594 0.406 1 1 1635 . 6 1 1 A 135 135 GLN N N 135 114.700 118.496 -3.796 1 1 1637 . 6 1 1 A 136 136 VAL H H 136 9.070 8.789 0.281 1 1 1638 . 6 1 1 A 136 136 VAL HA H 136 5.110 5.087 0.023 1 1 1646 . 6 1 1 A 136 136 VAL C C 136 172.750 175.781 -3.031 1 1 1647 . 6 1 1 A 136 136 VAL CA C 136 61.800 61.709 0.091 1 1 1648 . 6 1 1 A 136 136 VAL CB C 136 34.100 33.041 1.059 1 1 1651 . 6 1 1 A 136 136 VAL N N 136 124.900 122.449 2.451 1 1 1652 . 6 1 1 A 137 137 ASN H H 137 9.450 9.037 0.413 1 1 1653 . 6 1 1 A 137 137 ASN HA H 137 5.240 5.331 -0.091 1 1 1658 . 6 1 1 A 137 137 ASN CA C 137 51.400 52.847 -1.447 1 1 1659 . 6 1 1 A 137 137 ASN CB C 137 40.000 39.576 0.424 1 1 1660 . 6 1 1 A 137 137 ASN N N 137 128.840 126.063 2.777 1 1 1662 . 6 1 1 A 138 138 TYR H H 138 8.330 9.065 -0.735 1 1 1663 . 6 1 1 A 138 138 TYR HA H 138 3.240 4.321 -1.081 1 1 1670 . 6 1 1 A 138 138 TYR C C 138 180.030 177.223 2.807 1 1 1671 . 6 1 1 A 138 138 TYR CA C 138 62.400 62.401 -0.001 1 1 1672 . 6 1 1 A 138 138 TYR CB C 138 38.000 38.534 -0.534 1 1 1677 . 6 1 1 A 138 138 TYR N N 138 118.150 123.657 -5.507 1 1 1678 . 6 1 1 A 139 139 GLU H H 139 7.990 8.285 -0.295 1 1 1679 . 6 1 1 A 139 139 GLU HA H 139 3.520 3.842 -0.322 1 1 1684 . 6 1 1 A 139 139 GLU C C 139 179.170 179.384 -0.214 1 1 1685 . 6 1 1 A 139 139 GLU CA C 139 60.550 60.229 0.321 1 1 1686 . 6 1 1 A 139 139 GLU CB C 139 29.100 29.612 -0.512 1 1 1688 . 6 1 1 A 139 139 GLU N N 139 118.100 117.980 0.120 1 1 1689 . 6 1 1 A 140 140 GLU H H 140 8.640 8.161 0.479 1 1 1690 . 6 1 1 A 140 140 GLU HA H 140 3.780 4.078 -0.298 1 1 1695 . 6 1 1 A 140 140 GLU C C 140 181.440 178.970 2.470 1 1 1696 . 6 1 1 A 140 140 GLU CA C 140 58.800 59.120 -0.320 1 1 1697 . 6 1 1 A 140 140 GLU CB C 140 29.200 29.620 -0.420 1 1 1699 . 6 1 1 A 140 140 GLU N N 140 119.300 120.356 -1.056 1 1 1700 . 6 1 1 A 141 141 PHE H H 141 8.470 8.155 0.315 1 1 1701 . 6 1 1 A 141 141 PHE HA H 141 3.380 3.919 -0.539 1 1 1709 . 6 1 1 A 141 141 PHE C C 141 178.980 176.756 2.224 1 1 1710 . 6 1 1 A 141 141 PHE CA C 141 61.900 61.317 0.583 1 1 1711 . 6 1 1 A 141 141 PHE CB C 141 40.200 39.247 0.953 1 1 1717 . 6 1 1 A 141 141 PHE N N 141 123.640 121.803 1.837 1 1 1718 . 6 1 1 A 142 142 VAL H H 142 8.510 8.076 0.434 1 1 1719 . 6 1 1 A 142 142 VAL HA H 142 3.000 3.323 -0.323 1 1 1727 . 6 1 1 A 142 142 VAL C C 142 176.540 177.540 -1.000 1 1 1728 . 6 1 1 A 142 142 VAL CA C 142 66.900 66.365 0.535 1 1 1729 . 6 1 1 A 142 142 VAL CB C 142 31.450 31.399 0.051 1 1 1732 . 6 1 1 A 142 142 VAL N N 142 118.330 118.928 -0.598 1 1 1733 . 6 1 1 A 143 143 GLN H H 143 7.520 8.133 -0.613 1 1 1734 . 6 1 1 A 143 143 GLN HA H 143 3.750 3.926 -0.176 1 1 1741 . 6 1 1 A 143 143 GLN C C 143 176.630 178.297 -1.667 1 1 1742 . 6 1 1 A 143 143 GLN CA C 143 58.900 59.253 -0.353 1 1 1743 . 6 1 1 A 143 143 GLN CB C 143 28.200 28.184 0.016 1 1 1745 . 6 1 1 A 143 143 GLN N N 143 118.100 119.380 -1.280 1 1 1747 . 6 1 1 A 144 144 MET H H 144 7.250 7.909 -0.659 1 1 1748 . 6 1 1 A 144 144 MET HA H 144 4.090 4.216 -0.126 1 1 1756 . 6 1 1 A 144 144 MET C C 144 179.340 178.835 0.505 1 1 1757 . 6 1 1 A 144 144 MET CA C 144 56.750 57.310 -0.560 1 1 1758 . 6 1 1 A 144 144 MET CB C 144 30.800 32.050 -1.250 1 1 1761 . 6 1 1 A 144 144 MET N N 144 117.300 117.832 -0.532 1 1 1762 . 6 1 1 A 145 145 MET H H 145 7.460 7.797 -0.337 1 1 1763 . 6 1 1 A 145 145 MET HA H 145 3.900 4.017 -0.117 1 1 1771 . 6 1 1 A 145 145 MET C C 145 178.110 178.506 -0.396 1 1 1772 . 6 1 1 A 145 145 MET CA C 145 56.800 57.887 -1.087 1 1 1773 . 6 1 1 A 145 145 MET CB C 145 31.800 33.604 -1.804 1 1 1776 . 6 1 1 A 145 145 MET N N 145 114.350 118.609 -4.259 1 1 1777 . 6 1 1 A 146 146 THR H H 146 7.560 8.166 -0.606 1 1 1778 . 6 1 1 A 146 146 THR HA H 146 4.220 4.190 0.030 1 1 1783 . 6 1 1 A 146 146 THR C C 146 177.440 175.090 2.350 1 1 1784 . 6 1 1 A 146 146 THR CA C 146 62.650 64.554 -1.904 1 1 1785 . 6 1 1 A 146 146 THR CB C 146 69.700 69.104 0.596 1 1 1787 . 6 1 1 A 146 146 THR N N 146 109.350 112.647 -3.297 1 1 1788 . 6 1 1 A 147 147 ALA H H 147 7.420 7.703 -0.283 1 1 1789 . 6 1 1 A 147 147 ALA HA H 147 4.170 4.088 0.082 1 1 1793 . 6 1 1 A 147 147 ALA C C 147 177.480 177.213 0.267 1 1 1794 . 6 1 1 A 147 147 ALA CA C 147 52.900 52.962 -0.062 1 1 1795 . 6 1 1 A 147 147 ALA CB C 147 19.200 19.079 0.121 1 1 1796 . 6 1 1 A 147 147 ALA N N 147 125.650 122.730 2.920 1 1 1814 . 6 2 2 B 1 1 ARG H H 1088 8.270 9.057 -0.787 1 1 1815 . 6 2 2 B 1 1 ARG HA H 1088 3.860 3.999 -0.139 1 1 1822 . 6 2 2 B 1 1 ARG CA C 1088 59.900 56.964 2.936 1 1 1823 . 6 2 2 B 1 1 ARG CB C 1088 29.900 29.306 0.594 1 1 1826 . 6 2 2 B 1 1 ARG N N 1088 117.300 119.159 -1.859 1 1 1827 . 6 2 2 B 2 2 GLY H H 1089 9.370 7.898 1.472 1 1 1828 . 6 2 2 B 2 2 GLY HA2 H 1089 3.520 3.975 -0.455 1 1 1829 . 6 2 2 B 2 2 GLY HA3 H 1089 3.730 3.984 -0.254 1 1 1830 . 6 2 2 B 2 2 GLY C C 1089 176.650 175.661 0.989 1 1 1831 . 6 2 2 B 2 2 GLY CA C 1089 47.200 46.413 0.787 1 1 1832 . 6 2 2 B 2 2 GLY N N 1089 105.000 108.519 -3.519 1 1 1833 . 6 2 2 B 3 3 GLN H H 1090 6.980 7.913 -0.933 1 1 1834 . 6 2 2 B 3 3 GLN HA H 1090 3.830 4.316 -0.486 1 1 1841 . 6 2 2 B 3 3 GLN C C 1090 177.680 178.791 -1.111 1 1 1842 . 6 2 2 B 3 3 GLN CA C 1090 59.100 58.755 0.345 1 1 1843 . 6 2 2 B 3 3 GLN CB C 1090 29.800 28.316 1.484 1 1 1845 . 6 2 2 B 3 3 GLN N N 1090 117.350 119.782 -2.432 1 1 1847 . 6 2 2 B 4 4 ILE H H 1091 7.760 7.654 0.106 1 1 1848 . 6 2 2 B 4 4 ILE HA H 1091 3.480 3.736 -0.256 1 1 1858 . 6 2 2 B 4 4 ILE C C 1091 175.070 178.195 -3.125 1 1 1859 . 6 2 2 B 4 4 ILE CA C 1091 65.600 65.382 0.218 1 1 1860 . 6 2 2 B 4 4 ILE CB C 1091 38.000 37.969 0.031 1 1 1864 . 6 2 2 B 4 4 ILE N N 1091 119.650 120.832 -1.182 1 1 1865 . 6 2 2 B 5 5 LEU H H 1092 7.830 8.341 -0.511 1 1 1866 . 6 2 2 B 5 5 LEU HA H 1092 3.820 3.881 -0.061 1 1 1876 . 6 2 2 B 5 5 LEU C C 1092 176.220 179.131 -2.911 1 1 1877 . 6 2 2 B 5 5 LEU CA C 1092 58.250 58.391 -0.141 1 1 1878 . 6 2 2 B 5 5 LEU CB C 1092 41.700 41.607 0.093 1 1 1882 . 6 2 2 B 5 5 LEU N N 1092 119.200 118.914 0.286 1 1 1883 . 6 2 2 B 6 6 TRP H H 1093 7.650 8.183 -0.533 1 1 1884 . 6 2 2 B 6 6 TRP HA H 1093 4.120 4.336 -0.216 1 1 1893 . 6 2 2 B 6 6 TRP C C 1093 178.490 179.004 -0.514 1 1 1894 . 6 2 2 B 6 6 TRP CA C 1093 61.100 59.911 1.189 1 1 1895 . 6 2 2 B 6 6 TRP CB C 1093 30.000 29.502 0.498 1 1 1901 . 6 2 2 B 6 6 TRP N N 1093 119.200 118.827 0.373 1 1 1903 . 6 2 2 B 7 7 PHE H H 1094 8.400 8.723 -0.323 1 1 1904 . 6 2 2 B 7 7 PHE HA H 1094 4.390 4.209 0.181 1 1 1912 . 6 2 2 B 7 7 PHE C C 1094 178.840 177.998 0.842 1 1 1913 . 6 2 2 B 7 7 PHE CA C 1094 59.700 62.325 -2.625 1 1 1914 . 6 2 2 B 7 7 PHE CB C 1094 37.000 38.680 -1.680 1 1 1919 . 6 2 2 B 7 7 PHE N N 1094 117.800 117.970 -0.170 1 1 1920 . 6 2 2 B 8 8 ARG H H 1095 8.360 8.227 0.133 1 1 1921 . 6 2 2 B 8 8 ARG HA H 1095 4.140 4.079 0.061 1 1 1928 . 6 2 2 B 8 8 ARG C C 1095 178.290 179.095 -0.805 1 1 1929 . 6 2 2 B 8 8 ARG CA C 1095 59.600 59.771 -0.171 1 1 1930 . 6 2 2 B 8 8 ARG CB C 1095 30.500 30.233 0.267 1 1 1933 . 6 2 2 B 8 8 ARG N N 1095 120.800 120.052 0.748 1 1 1934 . 6 2 2 B 9 9 GLY H H 1096 8.330 8.291 0.039 1 1 1935 . 6 2 2 B 9 9 GLY HA2 H 1096 3.560 3.632 -0.072 1 1 1936 . 6 2 2 B 9 9 GLY HA3 H 1096 3.720 3.660 0.060 1 1 1937 . 6 2 2 B 9 9 GLY C C 1096 178.010 175.591 2.419 1 1 1938 . 6 2 2 B 9 9 GLY CA C 1096 47.200 47.336 -0.136 1 1 1939 . 6 2 2 B 9 9 GLY N N 1096 106.400 107.330 -0.930 1 1 1940 . 6 2 2 B 10 10 LEU H H 1097 9.090 8.114 0.976 1 1 1941 . 6 2 2 B 10 10 LEU HA H 1097 4.150 4.016 0.134 1 1 1951 . 6 2 2 B 10 10 LEU C C 1097 178.820 178.536 0.284 1 1 1952 . 6 2 2 B 10 10 LEU CA C 1097 58.500 57.364 1.136 1 1 1953 . 6 2 2 B 10 10 LEU CB C 1097 41.600 41.252 0.348 1 1 1957 . 6 2 2 B 10 10 LEU N N 1097 120.900 122.728 -1.828 1 1 1958 . 6 2 2 B 11 11 ASN H H 1098 8.380 8.215 0.165 1 1 1959 . 6 2 2 B 11 11 ASN HA H 1098 4.440 4.354 0.086 1 1 1964 . 6 2 2 B 11 11 ASN CA C 1098 56.700 56.967 -0.267 1 1 1965 . 6 2 2 B 11 11 ASN CB C 1098 38.700 39.642 -0.942 1 1 1966 . 6 2 2 B 11 11 ASN N N 1098 116.900 117.233 -0.333 1 1 1968 . 6 2 2 B 12 12 ARG H H 1099 7.900 7.637 0.263 1 1 1969 . 6 2 2 B 12 12 ARG HA H 1099 3.980 4.091 -0.111 1 1 1976 . 6 2 2 B 12 12 ARG C C 1099 178.360 178.364 -0.004 1 1 1977 . 6 2 2 B 12 12 ARG CA C 1099 60.200 59.128 1.072 1 1 1978 . 6 2 2 B 12 12 ARG CB C 1099 32.600 30.074 2.526 1 1 1981 . 6 2 2 B 12 12 ARG N N 1099 120.100 118.482 1.618 1 1 1982 . 6 2 2 B 13 13 ILE H H 1100 8.230 8.125 0.105 1 1 1983 . 6 2 2 B 13 13 ILE HA H 1100 3.840 3.661 0.179 1 1 1993 . 6 2 2 B 13 13 ILE C C 1100 178.110 177.941 0.169 1 1 1994 . 6 2 2 B 13 13 ILE CA C 1100 63.800 65.450 -1.650 1 1 1995 . 6 2 2 B 13 13 ILE CB C 1100 37.300 37.577 -0.277 1 1 1999 . 6 2 2 B 13 13 ILE N N 1100 120.350 120.954 -0.604 1 1 2000 . 6 2 2 B 14 14 GLN H H 1101 8.830 7.750 1.080 1 1 2001 . 6 2 2 B 14 14 GLN HA H 1101 3.990 3.980 0.010 1 1 2008 . 6 2 2 B 14 14 GLN C C 1101 177.860 178.765 -0.905 1 1 2009 . 6 2 2 B 14 14 GLN CA C 1101 60.000 59.105 0.895 1 1 2010 . 6 2 2 B 14 14 GLN CB C 1101 28.800 28.360 0.440 1 1 2012 . 6 2 2 B 14 14 GLN N N 1101 118.700 118.128 0.572 1 1 2014 . 6 2 2 B 15 15 THR H H 1102 8.140 7.660 0.480 1 1 2015 . 6 2 2 B 15 15 THR HA H 1102 3.890 3.800 0.090 1 1 2020 . 6 2 2 B 15 15 THR C C 1102 177.470 176.428 1.042 1 1 2021 . 6 2 2 B 15 15 THR CA C 1102 67.400 67.415 -0.015 1 1 2022 . 6 2 2 B 15 15 THR CB C 1102 70.300 68.381 1.919 1 1 2024 . 6 2 2 B 15 15 THR N N 1102 117.500 117.198 0.302 1 1 2025 . 6 2 2 B 16 16 GLN H H 1103 8.320 8.354 -0.034 1 1 2026 . 6 2 2 B 16 16 GLN HA H 1103 4.100 3.952 0.148 1 1 2033 . 6 2 2 B 16 16 GLN C C 1103 178.890 178.446 0.444 1 1 2034 . 6 2 2 B 16 16 GLN CA C 1103 60.600 59.267 1.333 1 1 2035 . 6 2 2 B 16 16 GLN CB C 1103 30.500 28.448 2.052 1 1 2037 . 6 2 2 B 16 16 GLN N N 1103 120.650 119.158 1.492 1 1 2039 . 6 2 2 B 17 17 ILE H H 1104 8.690 7.371 1.319 1 1 2040 . 6 2 2 B 17 17 ILE HA H 1104 3.470 4.053 -0.583 1 1 2050 . 6 2 2 B 17 17 ILE C C 1104 175.230 177.923 -2.693 1 1 2051 . 6 2 2 B 17 17 ILE CA C 1104 66.150 61.923 4.227 1 1 2052 . 6 2 2 B 17 17 ILE CB C 1104 38.300 38.073 0.227 1 1 2056 . 6 2 2 B 17 17 ILE N N 1104 119.400 120.196 -0.796 1 1 2057 . 6 2 2 B 18 18 LYS H H 1105 7.950 8.969 -1.019 1 1 2058 . 6 2 2 B 18 18 LYS HA H 1105 3.900 4.029 -0.129 1 1 2067 . 6 2 2 B 18 18 LYS C C 1105 177.660 178.521 -0.861 1 1 2068 . 6 2 2 B 18 18 LYS CA C 1105 60.050 59.786 0.264 1 1 2069 . 6 2 2 B 18 18 LYS CB C 1105 32.700 32.189 0.511 1 1 2073 . 6 2 2 B 18 18 LYS N N 1105 120.280 123.454 -3.174 1 1 2074 . 6 2 2 B 19 19 VAL H H 1106 8.280 7.424 0.856 1 1 2075 . 6 2 2 B 19 19 VAL HA H 1106 3.430 3.743 -0.313 1 1 2083 . 6 2 2 B 19 19 VAL C C 1106 177.660 178.521 -0.861 1 1 2084 . 6 2 2 B 19 19 VAL CA C 1106 65.900 66.523 -0.623 1 1 2085 . 6 2 2 B 19 19 VAL CB C 1106 31.400 31.696 -0.296 1 1 2088 . 6 2 2 B 19 19 VAL N N 1106 120.660 119.668 0.992 1 1 2089 . 6 2 2 B 20 20 VAL H H 1107 8.420 8.259 0.161 1 1 2090 . 6 2 2 B 20 20 VAL HA H 1107 3.580 3.710 -0.130 1 1 2098 . 6 2 2 B 20 20 VAL C C 1107 178.930 178.228 0.702 1 1 2099 . 6 2 2 B 20 20 VAL CA C 1107 68.390 66.795 1.595 1 1 2100 . 6 2 2 B 20 20 VAL CB C 1107 31.200 31.514 -0.314 1 1 2103 . 6 2 2 B 20 20 VAL N N 1107 119.990 120.598 -0.608 1 1 2104 . 6 2 2 B 21 21 LYS H H 1108 8.300 8.304 -0.004 1 1 2105 . 6 2 2 B 21 21 LYS HA H 1108 4.050 4.135 -0.085 1 1 2114 . 6 2 2 B 21 21 LYS C C 1108 177.230 178.905 -1.675 1 1 2115 . 6 2 2 B 21 21 LYS CA C 1108 59.980 59.846 0.134 1 1 2116 . 6 2 2 B 21 21 LYS CB C 1108 32.400 32.200 0.200 1 1 2120 . 6 2 2 B 21 21 LYS N N 1108 119.290 119.235 0.055 1 1 2121 . 6 2 2 B 22 22 ALA H H 1109 7.690 8.083 -0.393 1 1 2122 . 6 2 2 B 22 22 ALA HA H 1109 3.900 4.195 -0.295 1 1 2126 . 6 2 2 B 22 22 ALA C C 1109 178.200 179.708 -1.508 1 1 2127 . 6 2 2 B 22 22 ALA CA C 1109 54.950 55.148 -0.198 1 1 2128 . 6 2 2 B 22 22 ALA CB C 1109 22.000 18.660 3.340 1 1 2129 . 6 2 2 B 22 22 ALA N N 1109 123.910 122.273 1.637 1 1 2130 . 6 2 2 B 23 23 PHE H H 1110 7.920 8.315 -0.395 1 1 2131 . 6 2 2 B 23 23 PHE HA H 1110 4.120 4.244 -0.124 1 1 2139 . 6 2 2 B 23 23 PHE C C 1110 178.840 178.207 0.633 1 1 2140 . 6 2 2 B 23 23 PHE CA C 1110 61.260 60.658 0.602 1 1 2141 . 6 2 2 B 23 23 PHE CB C 1110 40.200 38.903 1.297 1 1 2147 . 6 2 2 B 23 23 PHE N N 1110 118.200 115.634 2.566 1 1 2148 . 6 2 2 B 24 24 HIS H H 1111 7.960 7.572 0.388 1 1 2149 . 6 2 2 B 24 24 HIS HA H 1111 4.530 4.389 0.141 1 1 2155 . 6 2 2 B 24 24 HIS C C 1111 178.710 175.197 3.513 1 1 2156 . 6 2 2 B 24 24 HIS CA C 1111 57.200 59.883 -2.683 1 1 2157 . 6 2 2 B 24 24 HIS CB C 1111 30.200 29.814 0.386 1 1 2160 . 6 2 2 B 24 24 HIS N N 1111 117.760 117.562 0.198 1 1 2162 . 6 2 2 B 25 25 SER H H 1112 7.980 8.541 -0.561 1 1 2163 . 6 2 2 B 25 25 SER HA H 1112 4.340 4.027 0.313 1 1 2166 . 6 2 2 B 25 25 SER C C 1112 177.230 173.553 3.677 1 1 2167 . 6 2 2 B 25 25 SER CA C 1112 58.570 59.242 -0.672 1 1 2168 . 6 2 2 B 25 25 SER CB C 1112 63.800 61.875 1.925 1 1 2169 . 6 2 2 B 25 25 SER N N 1112 116.970 114.530 2.440 1 1 9 . 7 1 1 A 2 2 ASP H H 2 8.220 8.709 -0.489 1 1 10 . 7 1 1 A 2 2 ASP HA H 2 4.500 4.436 0.064 1 1 13 . 7 1 1 A 2 2 ASP CA C 2 54.750 55.647 -0.897 1 1 14 . 7 1 1 A 2 2 ASP CB C 2 41.350 41.027 0.323 1 1 15 . 7 1 1 A 2 2 ASP N N 2 121.760 123.899 -2.139 1 1 16 . 7 1 1 A 3 3 GLN H H 3 8.320 7.537 0.783 1 1 17 . 7 1 1 A 3 3 GLN HA H 3 4.240 4.543 -0.303 1 1 24 . 7 1 1 A 3 3 GLN CA C 3 55.750 55.545 0.205 1 1 25 . 7 1 1 A 3 3 GLN CB C 3 29.700 30.908 -1.208 1 1 27 . 7 1 1 A 3 3 GLN N N 3 119.800 117.811 1.989 1 1 29 . 7 1 1 A 4 4 LEU H H 4 8.250 8.634 -0.384 1 1 30 . 7 1 1 A 4 4 LEU HA H 4 4.540 4.582 -0.042 1 1 40 . 7 1 1 A 4 4 LEU C C 4 175.740 176.528 -0.788 1 1 41 . 7 1 1 A 4 4 LEU CA C 4 54.600 54.154 0.446 1 1 42 . 7 1 1 A 4 4 LEU CB C 4 43.600 43.494 0.106 1 1 46 . 7 1 1 A 4 4 LEU N N 4 123.100 127.465 -4.365 1 1 47 . 7 1 1 A 5 5 THR H H 5 8.680 7.540 1.140 1 1 48 . 7 1 1 A 5 5 THR HA H 5 4.350 4.284 0.066 1 1 53 . 7 1 1 A 5 5 THR C C 5 175.750 175.250 0.500 1 1 54 . 7 1 1 A 5 5 THR CA C 5 60.500 61.081 -0.581 1 1 55 . 7 1 1 A 5 5 THR CB C 5 71.100 70.049 1.051 1 1 57 . 7 1 1 A 5 5 THR N N 5 112.700 112.132 0.568 1 1 58 . 7 1 1 A 6 6 GLU H H 6 8.950 8.958 -0.008 1 1 59 . 7 1 1 A 6 6 GLU HA H 6 3.880 3.875 0.005 1 1 64 . 7 1 1 A 6 6 GLU C C 6 177.790 178.346 -0.556 1 1 65 . 7 1 1 A 6 6 GLU CA C 6 60.200 59.865 0.335 1 1 66 . 7 1 1 A 6 6 GLU CB C 6 29.300 29.360 -0.060 1 1 68 . 7 1 1 A 6 6 GLU N N 6 119.950 123.687 -3.737 1 1 69 . 7 1 1 A 7 7 GLU H H 7 8.660 8.030 0.630 1 1 70 . 7 1 1 A 7 7 GLU HA H 7 3.940 3.985 -0.045 1 1 75 . 7 1 1 A 7 7 GLU C C 7 175.460 179.036 -3.576 1 1 76 . 7 1 1 A 7 7 GLU CA C 7 60.200 59.728 0.472 1 1 77 . 7 1 1 A 7 7 GLU CB C 7 29.100 29.370 -0.270 1 1 79 . 7 1 1 A 7 7 GLU N N 7 119.250 119.129 0.121 1 1 80 . 7 1 1 A 8 8 GLN H H 8 7.670 7.514 0.156 1 1 81 . 7 1 1 A 8 8 GLN HA H 8 3.760 4.227 -0.467 1 1 88 . 7 1 1 A 8 8 GLN C C 8 179.600 178.571 1.029 1 1 89 . 7 1 1 A 8 8 GLN CA C 8 58.800 58.548 0.252 1 1 90 . 7 1 1 A 8 8 GLN CB C 8 29.300 28.141 1.159 1 1 92 . 7 1 1 A 8 8 GLN N N 8 120.000 119.220 0.780 1 1 94 . 7 1 1 A 9 9 ILE H H 9 8.280 8.960 -0.680 1 1 95 . 7 1 1 A 9 9 ILE HA H 9 3.580 3.674 -0.094 1 1 105 . 7 1 1 A 9 9 ILE C C 9 179.270 177.899 1.371 1 1 106 . 7 1 1 A 9 9 ILE CA C 9 66.400 65.623 0.777 1 1 107 . 7 1 1 A 9 9 ILE CB C 9 38.100 37.804 0.296 1 1 111 . 7 1 1 A 9 9 ILE N N 9 119.400 119.887 -0.487 1 1 112 . 7 1 1 A 10 10 ALA H H 10 7.950 8.018 -0.068 1 1 113 . 7 1 1 A 10 10 ALA HA H 10 4.020 4.017 0.003 1 1 117 . 7 1 1 A 10 10 ALA C C 10 178.490 180.083 -1.593 1 1 118 . 7 1 1 A 10 10 ALA CA C 10 55.400 55.839 -0.439 1 1 119 . 7 1 1 A 10 10 ALA CB C 10 17.950 18.323 -0.373 1 1 120 . 7 1 1 A 10 10 ALA N N 10 121.000 122.360 -1.360 1 1 121 . 7 1 1 A 11 11 GLU H H 11 7.730 7.802 -0.072 1 1 122 . 7 1 1 A 11 11 GLU HA H 11 4.030 4.077 -0.047 1 1 127 . 7 1 1 A 11 11 GLU C C 11 177.860 179.581 -1.721 1 1 128 . 7 1 1 A 11 11 GLU CA C 11 59.500 59.302 0.198 1 1 129 . 7 1 1 A 11 11 GLU CB C 11 29.500 29.650 -0.150 1 1 131 . 7 1 1 A 11 11 GLU N N 11 119.700 118.255 1.445 1 1 132 . 7 1 1 A 12 12 PHE H H 12 8.470 8.569 -0.099 1 1 133 . 7 1 1 A 12 12 PHE HA H 12 4.910 4.275 0.635 1 1 141 . 7 1 1 A 12 12 PHE C C 12 181.140 178.097 3.043 1 1 142 . 7 1 1 A 12 12 PHE CA C 12 59.200 61.455 -2.255 1 1 143 . 7 1 1 A 12 12 PHE CB C 12 37.700 38.607 -0.907 1 1 149 . 7 1 1 A 12 12 PHE N N 12 119.900 119.451 0.449 1 1 150 . 7 1 1 A 13 13 LYS H H 13 9.180 8.577 0.603 1 1 151 . 7 1 1 A 13 13 LYS HA H 13 3.860 3.789 0.071 1 1 160 . 7 1 1 A 13 13 LYS C C 13 180.730 178.574 2.156 1 1 161 . 7 1 1 A 13 13 LYS CA C 13 60.300 59.997 0.303 1 1 162 . 7 1 1 A 13 13 LYS CB C 13 31.900 32.668 -0.768 1 1 166 . 7 1 1 A 13 13 LYS N N 13 124.000 120.419 3.581 1 1 167 . 7 1 1 A 14 14 GLU H H 14 7.770 7.991 -0.221 1 1 168 . 7 1 1 A 14 14 GLU HA H 14 4.050 4.022 0.028 1 1 173 . 7 1 1 A 14 14 GLU C C 14 178.750 179.012 -0.262 1 1 174 . 7 1 1 A 14 14 GLU CA C 14 59.300 59.495 -0.195 1 1 175 . 7 1 1 A 14 14 GLU CB C 14 29.300 29.283 0.017 1 1 177 . 7 1 1 A 14 14 GLU N N 14 120.060 118.472 1.588 1 1 178 . 7 1 1 A 15 15 ALA H H 15 8.020 7.512 0.508 1 1 179 . 7 1 1 A 15 15 ALA HA H 15 4.110 4.064 0.046 1 1 183 . 7 1 1 A 15 15 ALA C C 15 179.220 179.714 -0.494 1 1 184 . 7 1 1 A 15 15 ALA CA C 15 55.900 54.838 1.062 1 1 185 . 7 1 1 A 15 15 ALA CB C 15 18.430 18.030 0.400 1 1 186 . 7 1 1 A 15 15 ALA N N 15 121.660 122.603 -0.943 1 1 187 . 7 1 1 A 16 16 PHE H H 16 8.700 8.101 0.599 1 1 188 . 7 1 1 A 16 16 PHE HA H 16 3.190 3.924 -0.734 1 1 196 . 7 1 1 A 16 16 PHE C C 16 176.350 178.546 -2.196 1 1 197 . 7 1 1 A 16 16 PHE CA C 16 62.300 59.840 2.460 1 1 198 . 7 1 1 A 16 16 PHE CB C 16 39.800 37.991 1.809 1 1 204 . 7 1 1 A 16 16 PHE N N 16 118.400 116.271 2.129 1 1 205 . 7 1 1 A 17 17 SER H H 17 8.040 7.663 0.377 1 1 206 . 7 1 1 A 17 17 SER HA H 17 4.110 4.124 -0.014 1 1 209 . 7 1 1 A 17 17 SER C C 17 178.820 175.707 3.113 1 1 210 . 7 1 1 A 17 17 SER CA C 17 61.600 61.756 -0.156 1 1 211 . 7 1 1 A 17 17 SER CB C 17 63.200 63.039 0.161 1 1 212 . 7 1 1 A 17 17 SER N N 17 114.290 115.315 -1.025 1 1 213 . 7 1 1 A 18 18 LEU H H 18 7.440 7.161 0.279 1 1 214 . 7 1 1 A 18 18 LEU HA H 18 3.970 3.887 0.083 1 1 224 . 7 1 1 A 18 18 LEU C C 18 178.630 178.112 0.518 1 1 225 . 7 1 1 A 18 18 LEU CA C 18 56.800 57.404 -0.604 1 1 226 . 7 1 1 A 18 18 LEU CB C 18 42.600 41.592 1.008 1 1 230 . 7 1 1 A 18 18 LEU N N 18 118.200 121.104 -2.904 1 1 231 . 7 1 1 A 19 19 PHE H H 19 7.330 6.272 1.058 1 1 232 . 7 1 1 A 19 19 PHE HA H 19 3.950 4.649 -0.699 1 1 240 . 7 1 1 A 19 19 PHE C C 19 174.460 175.338 -0.878 1 1 241 . 7 1 1 A 19 19 PHE CA C 19 59.300 56.890 2.410 1 1 242 . 7 1 1 A 19 19 PHE CB C 19 41.800 39.769 2.031 1 1 248 . 7 1 1 A 19 19 PHE N N 19 114.900 112.487 2.413 1 1 249 . 7 1 1 A 20 20 ASP H H 20 7.780 7.112 0.668 1 1 250 . 7 1 1 A 20 20 ASP HA H 20 4.480 5.053 -0.573 1 1 253 . 7 1 1 A 20 20 ASP C C 20 176.700 175.896 0.804 1 1 254 . 7 1 1 A 20 20 ASP CA C 20 52.400 53.595 -1.195 1 1 255 . 7 1 1 A 20 20 ASP CB C 20 39.400 39.190 0.210 1 1 256 . 7 1 1 A 20 20 ASP N N 20 117.700 122.430 -4.730 1 1 257 . 7 1 1 A 21 21 LYS H H 21 7.480 8.132 -0.652 1 1 258 . 7 1 1 A 21 21 LYS HA H 21 3.840 3.935 -0.095 1 1 267 . 7 1 1 A 21 21 LYS C C 21 175.550 177.282 -1.732 1 1 268 . 7 1 1 A 21 21 LYS CA C 21 58.300 59.300 -1.000 1 1 269 . 7 1 1 A 21 21 LYS CB C 21 32.600 32.395 0.205 1 1 273 . 7 1 1 A 21 21 LYS N N 21 124.200 126.017 -1.817 1 1 274 . 7 1 1 A 22 22 ASP H H 22 7.910 7.968 -0.058 1 1 275 . 7 1 1 A 22 22 ASP HA H 22 4.460 4.633 -0.173 1 1 278 . 7 1 1 A 22 22 ASP C C 22 176.920 177.796 -0.876 1 1 279 . 7 1 1 A 22 22 ASP CA C 22 53.400 53.063 0.337 1 1 280 . 7 1 1 A 22 22 ASP CB C 22 39.800 39.790 0.010 1 1 281 . 7 1 1 A 22 22 ASP N N 22 113.500 115.240 -1.740 1 1 282 . 7 1 1 A 23 23 GLY H H 23 7.540 7.981 -0.441 1 1 283 . 7 1 1 A 23 23 GLY HA2 H 23 3.730 3.856 -0.126 1 1 284 . 7 1 1 A 23 23 GLY HA3 H 23 3.730 3.859 -0.129 1 1 285 . 7 1 1 A 23 23 GLY C C 23 178.030 175.116 2.914 1 1 286 . 7 1 1 A 23 23 GLY CA C 23 47.400 47.269 0.131 1 1 287 . 7 1 1 A 23 23 GLY N N 23 109.200 108.888 0.312 1 1 288 . 7 1 1 A 24 24 ASP H H 24 8.430 7.839 0.591 1 1 289 . 7 1 1 A 24 24 ASP HA H 24 4.410 4.570 -0.160 1 1 292 . 7 1 1 A 24 24 ASP C C 24 177.580 177.528 0.052 1 1 293 . 7 1 1 A 24 24 ASP CA C 24 53.770 53.557 0.213 1 1 294 . 7 1 1 A 24 24 ASP CB C 24 40.200 40.375 -0.175 1 1 295 . 7 1 1 A 24 24 ASP N N 24 120.700 120.632 0.068 1 1 296 . 7 1 1 A 25 25 GLY H H 25 10.370 9.528 0.842 1 1 297 . 7 1 1 A 25 25 GLY HA2 H 25 4.240 3.974 0.266 1 1 298 . 7 1 1 A 25 25 GLY HA3 H 25 3.610 3.982 -0.372 1 1 299 . 7 1 1 A 25 25 GLY C C 25 175.160 173.559 1.601 1 1 300 . 7 1 1 A 25 25 GLY CA C 25 45.300 45.236 0.064 1 1 301 . 7 1 1 A 25 25 GLY N N 25 112.100 112.057 0.043 1 1 302 . 7 1 1 A 26 26 THR H H 26 8.060 8.293 -0.233 1 1 303 . 7 1 1 A 26 26 THR HA H 26 5.430 4.932 0.498 1 1 308 . 7 1 1 A 26 26 THR C C 26 177.260 173.228 4.032 1 1 309 . 7 1 1 A 26 26 THR CA C 26 59.500 58.623 0.877 1 1 310 . 7 1 1 A 26 26 THR CB C 26 72.800 73.136 -0.336 1 1 312 . 7 1 1 A 26 26 THR N N 26 110.950 109.897 1.053 1 1 313 . 7 1 1 A 27 27 ILE H H 27 9.890 8.626 1.264 1 1 314 . 7 1 1 A 27 27 ILE HA H 27 4.680 4.811 -0.131 1 1 324 . 7 1 1 A 27 27 ILE C C 27 173.810 175.681 -1.871 1 1 325 . 7 1 1 A 27 27 ILE CA C 27 61.250 60.947 0.303 1 1 326 . 7 1 1 A 27 27 ILE CB C 27 40.700 37.838 2.862 1 1 330 . 7 1 1 A 27 27 ILE N N 27 125.400 123.489 1.911 1 1 331 . 7 1 1 A 28 28 THR H H 28 8.290 8.371 -0.081 1 1 332 . 7 1 1 A 28 28 THR HA H 28 4.680 4.942 -0.262 1 1 337 . 7 1 1 A 28 28 THR C C 28 173.550 176.100 -2.550 1 1 338 . 7 1 1 A 28 28 THR CA C 28 59.200 59.423 -0.223 1 1 339 . 7 1 1 A 28 28 THR CB C 28 72.600 72.011 0.589 1 1 341 . 7 1 1 A 28 28 THR N N 28 116.000 117.810 -1.810 1 1 342 . 7 1 1 A 29 29 THR H H 29 9.180 8.887 0.293 1 1 343 . 7 1 1 A 29 29 THR HA H 29 3.570 3.889 -0.319 1 1 348 . 7 1 1 A 29 29 THR C C 29 176.080 176.300 -0.220 1 1 349 . 7 1 1 A 29 29 THR CA C 29 66.100 66.632 -0.532 1 1 350 . 7 1 1 A 29 29 THR CB C 29 67.650 68.320 -0.670 1 1 352 . 7 1 1 A 29 29 THR N N 29 111.440 115.046 -3.606 1 1 353 . 7 1 1 A 30 30 LYS H H 30 7.340 8.004 -0.664 1 1 354 . 7 1 1 A 30 30 LYS HA H 30 3.960 3.929 0.031 1 1 363 . 7 1 1 A 30 30 LYS C C 30 176.660 179.488 -2.828 1 1 364 . 7 1 1 A 30 30 LYS CA C 30 59.100 59.979 -0.879 1 1 365 . 7 1 1 A 30 30 LYS CB C 30 32.700 32.350 0.350 1 1 369 . 7 1 1 A 30 30 LYS N N 30 120.350 122.577 -2.227 1 1 370 . 7 1 1 A 31 31 GLU H H 31 7.760 8.336 -0.576 1 1 371 . 7 1 1 A 31 31 GLU HA H 31 4.000 4.107 -0.107 1 1 376 . 7 1 1 A 31 31 GLU C C 31 177.230 179.012 -1.782 1 1 377 . 7 1 1 A 31 31 GLU CA C 31 59.600 58.995 0.605 1 1 378 . 7 1 1 A 31 31 GLU CB C 31 29.600 28.327 1.273 1 1 380 . 7 1 1 A 31 31 GLU N N 31 122.300 118.165 4.135 1 1 381 . 7 1 1 A 32 32 LEU H H 32 8.370 8.253 0.117 1 1 382 . 7 1 1 A 32 32 LEU HA H 32 4.060 3.889 0.171 1 1 392 . 7 1 1 A 32 32 LEU C C 32 179.400 178.642 0.758 1 1 393 . 7 1 1 A 32 32 LEU CA C 32 57.550 57.925 -0.375 1 1 394 . 7 1 1 A 32 32 LEU CB C 32 41.700 41.956 -0.256 1 1 398 . 7 1 1 A 32 32 LEU N N 32 120.100 123.060 -2.960 1 1 399 . 7 1 1 A 33 33 GLY H H 33 8.650 8.018 0.632 1 1 400 . 7 1 1 A 33 33 GLY HA2 H 33 3.450 3.845 -0.395 1 1 401 . 7 1 1 A 33 33 GLY HA3 H 33 3.800 3.846 -0.046 1 1 402 . 7 1 1 A 33 33 GLY C C 33 179.640 176.189 3.451 1 1 403 . 7 1 1 A 33 33 GLY CA C 33 48.300 47.701 0.599 1 1 404 . 7 1 1 A 33 33 GLY N N 33 105.700 106.140 -0.440 1 1 405 . 7 1 1 A 34 34 THR H H 34 8.070 7.848 0.222 1 1 406 . 7 1 1 A 34 34 THR HA H 34 3.790 4.021 -0.231 1 1 411 . 7 1 1 A 34 34 THR C C 34 178.670 176.026 2.644 1 1 412 . 7 1 1 A 34 34 THR CA C 34 67.300 67.032 0.268 1 1 413 . 7 1 1 A 34 34 THR CB C 34 68.700 68.629 0.071 1 1 415 . 7 1 1 A 34 34 THR N N 34 118.140 118.633 -0.493 1 1 416 . 7 1 1 A 35 35 VAL H H 35 7.510 7.746 -0.236 1 1 417 . 7 1 1 A 35 35 VAL HA H 35 3.480 3.557 -0.077 1 1 425 . 7 1 1 A 35 35 VAL C C 35 175.050 177.667 -2.617 1 1 426 . 7 1 1 A 35 35 VAL CA C 35 66.500 66.794 -0.294 1 1 427 . 7 1 1 A 35 35 VAL CB C 35 31.400 31.331 0.069 1 1 430 . 7 1 1 A 35 35 VAL N N 35 121.400 121.934 -0.534 1 1 431 . 7 1 1 A 36 36 MET H H 36 8.530 7.949 0.581 1 1 432 . 7 1 1 A 36 36 MET HA H 36 3.590 4.100 -0.510 1 1 440 . 7 1 1 A 36 36 MET C C 36 177.410 177.897 -0.487 1 1 441 . 7 1 1 A 36 36 MET CA C 36 61.900 58.553 3.347 1 1 442 . 7 1 1 A 36 36 MET CB C 36 32.600 31.108 1.492 1 1 445 . 7 1 1 A 36 36 MET N N 36 118.970 118.055 0.915 1 1 446 . 7 1 1 A 37 37 ARG H H 37 8.600 8.340 0.260 1 1 447 . 7 1 1 A 37 37 ARG HA H 37 4.720 4.069 0.651 1 1 454 . 7 1 1 A 37 37 ARG C C 37 179.250 178.837 0.413 1 1 455 . 7 1 1 A 37 37 ARG CA C 37 59.450 59.474 -0.024 1 1 456 . 7 1 1 A 37 37 ARG CB C 37 30.200 30.189 0.011 1 1 459 . 7 1 1 A 37 37 ARG N N 37 118.400 120.284 -1.884 1 1 460 . 7 1 1 A 38 38 SER H H 38 7.830 7.708 0.122 1 1 461 . 7 1 1 A 38 38 SER HA H 38 4.240 4.340 -0.100 1 1 464 . 7 1 1 A 38 38 SER C C 38 178.480 176.173 2.307 1 1 465 . 7 1 1 A 38 38 SER CA C 38 62.100 60.786 1.314 1 1 466 . 7 1 1 A 38 38 SER CB C 38 63.400 62.990 0.410 1 1 467 . 7 1 1 A 38 38 SER N N 38 119.400 114.354 5.046 1 1 468 . 7 1 1 A 39 39 LEU H H 39 7.280 8.224 -0.944 1 1 469 . 7 1 1 A 39 39 LEU HA H 39 4.360 4.291 0.069 1 1 479 . 7 1 1 A 39 39 LEU C C 39 178.240 177.019 1.221 1 1 480 . 7 1 1 A 39 39 LEU CA C 39 54.300 55.065 -0.765 1 1 481 . 7 1 1 A 39 39 LEU CB C 39 42.100 42.272 -0.172 1 1 485 . 7 1 1 A 39 39 LEU N N 39 119.950 119.359 0.591 1 1 486 . 7 1 1 A 40 40 GLY H H 40 7.740 8.153 -0.413 1 1 487 . 7 1 1 A 40 40 GLY HA2 H 40 4.140 3.900 0.240 1 1 488 . 7 1 1 A 40 40 GLY HA3 H 40 3.650 3.902 -0.252 1 1 489 . 7 1 1 A 40 40 GLY C C 40 176.140 173.745 2.395 1 1 490 . 7 1 1 A 40 40 GLY CA C 40 45.300 45.681 -0.381 1 1 491 . 7 1 1 A 40 40 GLY N N 40 105.750 106.708 -0.958 1 1 492 . 7 1 1 A 41 41 GLN H H 41 7.710 7.880 -0.170 1 1 493 . 7 1 1 A 41 41 GLN HA H 41 4.360 4.693 -0.333 1 1 500 . 7 1 1 A 41 41 GLN C C 41 176.700 174.697 2.003 1 1 501 . 7 1 1 A 41 41 GLN CA C 41 54.900 54.127 0.773 1 1 502 . 7 1 1 A 41 41 GLN CB C 41 29.600 31.057 -1.457 1 1 504 . 7 1 1 A 41 41 GLN N N 41 118.400 119.010 -0.610 1 1 506 . 7 1 1 A 42 42 ASN H H 42 8.640 8.928 -0.288 1 1 507 . 7 1 1 A 42 42 ASN HA H 42 5.150 5.362 -0.212 1 1 512 . 7 1 1 A 42 42 ASN CA C 42 51.200 50.057 1.143 1 1 513 . 7 1 1 A 42 42 ASN CB C 42 39.500 38.895 0.605 1 1 514 . 7 1 1 A 42 42 ASN N N 42 115.610 121.912 -6.302 1 1 516 . 7 1 1 A 43 43 PRO HA H 43 4.540 4.554 -0.014 1 1 523 . 7 1 1 A 43 43 PRO C C 43 179.440 176.870 2.570 1 1 524 . 7 1 1 A 43 43 PRO CA C 43 62.450 63.022 -0.572 1 1 525 . 7 1 1 A 43 43 PRO CB C 43 31.500 31.933 -0.433 1 1 528 . 7 1 1 A 44 44 THR H H 44 8.660 8.072 0.588 1 1 529 . 7 1 1 A 44 44 THR HA H 44 4.340 4.505 -0.165 1 1 534 . 7 1 1 A 44 44 THR CA C 44 60.450 60.463 -0.013 1 1 535 . 7 1 1 A 44 44 THR CB C 44 71.400 70.986 0.414 1 1 537 . 7 1 1 A 44 44 THR N N 44 112.600 112.998 -0.398 1 1 538 . 7 1 1 A 45 45 GLU H H 45 8.720 9.057 -0.337 1 1 539 . 7 1 1 A 45 45 GLU HA H 45 3.870 4.037 -0.167 1 1 544 . 7 1 1 A 45 45 GLU C C 45 174.270 178.587 -4.317 1 1 545 . 7 1 1 A 45 45 GLU CA C 45 59.900 59.307 0.593 1 1 546 . 7 1 1 A 45 45 GLU CB C 45 29.200 29.249 -0.049 1 1 548 . 7 1 1 A 45 45 GLU N N 45 120.150 120.697 -0.547 1 1 549 . 7 1 1 A 46 46 ALA H H 46 8.200 8.343 -0.143 1 1 550 . 7 1 1 A 46 46 ALA HA H 46 3.980 4.036 -0.056 1 1 554 . 7 1 1 A 46 46 ALA C C 46 175.180 180.021 -4.841 1 1 555 . 7 1 1 A 46 46 ALA CA C 46 55.100 54.870 0.230 1 1 556 . 7 1 1 A 46 46 ALA CB C 46 18.300 18.238 0.062 1 1 557 . 7 1 1 A 46 46 ALA N N 46 120.450 121.932 -1.482 1 1 558 . 7 1 1 A 47 47 GLU H H 47 7.630 7.797 -0.167 1 1 559 . 7 1 1 A 47 47 GLU HA H 47 3.890 4.129 -0.239 1 1 564 . 7 1 1 A 47 47 GLU C C 47 179.020 179.073 -0.053 1 1 565 . 7 1 1 A 47 47 GLU CA C 47 59.500 58.769 0.731 1 1 566 . 7 1 1 A 47 47 GLU CB C 47 29.600 29.441 0.159 1 1 568 . 7 1 1 A 47 47 GLU N N 47 118.320 118.461 -0.141 1 1 569 . 7 1 1 A 48 48 LEU H H 48 7.880 8.249 -0.369 1 1 570 . 7 1 1 A 48 48 LEU HA H 48 3.790 3.976 -0.186 1 1 580 . 7 1 1 A 48 48 LEU C C 48 180.200 179.613 0.587 1 1 581 . 7 1 1 A 48 48 LEU CA C 48 58.150 57.883 0.267 1 1 582 . 7 1 1 A 48 48 LEU CB C 48 42.800 41.776 1.024 1 1 586 . 7 1 1 A 48 48 LEU N N 48 119.000 120.116 -1.116 1 1 587 . 7 1 1 A 49 49 GLN H H 49 8.080 8.301 -0.221 1 1 588 . 7 1 1 A 49 49 GLN HA H 49 3.630 4.054 -0.424 1 1 595 . 7 1 1 A 49 49 GLN C C 49 177.680 177.642 0.038 1 1 596 . 7 1 1 A 49 49 GLN CA C 49 58.600 58.905 -0.305 1 1 597 . 7 1 1 A 49 49 GLN CB C 49 28.500 28.764 -0.264 1 1 599 . 7 1 1 A 49 49 GLN N N 49 117.400 118.724 -1.324 1 1 601 . 7 1 1 A 50 50 ASP H H 50 7.960 8.105 -0.145 1 1 602 . 7 1 1 A 50 50 ASP HA H 50 4.300 4.296 0.004 1 1 605 . 7 1 1 A 50 50 ASP C C 50 178.470 178.442 0.028 1 1 606 . 7 1 1 A 50 50 ASP CA C 50 57.700 57.817 -0.117 1 1 607 . 7 1 1 A 50 50 ASP CB C 50 40.600 41.815 -1.215 1 1 608 . 7 1 1 A 50 50 ASP N N 50 119.050 119.508 -0.458 1 1 609 . 7 1 1 A 51 51 MET H H 51 7.750 8.256 -0.506 1 1 610 . 7 1 1 A 51 51 MET HA H 51 4.000 4.189 -0.189 1 1 618 . 7 1 1 A 51 51 MET C C 51 178.170 178.715 -0.545 1 1 619 . 7 1 1 A 51 51 MET CA C 51 59.500 58.388 1.112 1 1 620 . 7 1 1 A 51 51 MET CB C 51 34.700 32.856 1.844 1 1 623 . 7 1 1 A 51 51 MET N N 51 117.900 117.745 0.155 1 1 624 . 7 1 1 A 52 52 ILE H H 52 7.580 7.937 -0.357 1 1 625 . 7 1 1 A 52 52 ILE HA H 52 3.620 3.526 0.094 1 1 635 . 7 1 1 A 52 52 ILE C C 52 178.690 177.814 0.876 1 1 636 . 7 1 1 A 52 52 ILE CA C 52 63.600 65.280 -1.680 1 1 637 . 7 1 1 A 52 52 ILE CB C 52 36.700 37.877 -1.177 1 1 641 . 7 1 1 A 52 52 ILE N N 52 116.850 119.224 -2.374 1 1 642 . 7 1 1 A 53 53 ASN H H 53 8.570 8.378 0.192 1 1 643 . 7 1 1 A 53 53 ASN HA H 53 4.310 4.431 -0.121 1 1 648 . 7 1 1 A 53 53 ASN CA C 53 56.400 56.444 -0.044 1 1 649 . 7 1 1 A 53 53 ASN CB C 53 38.300 37.970 0.330 1 1 650 . 7 1 1 A 53 53 ASN N N 53 116.900 118.149 -1.249 1 1 652 . 7 1 1 A 54 54 GLU H H 54 7.520 7.826 -0.306 1 1 653 . 7 1 1 A 54 54 GLU HA H 54 3.950 4.114 -0.164 1 1 658 . 7 1 1 A 54 54 GLU C C 54 178.070 178.550 -0.480 1 1 659 . 7 1 1 A 54 54 GLU CA C 54 59.000 58.929 0.071 1 1 660 . 7 1 1 A 54 54 GLU CB C 54 29.800 29.588 0.212 1 1 662 . 7 1 1 A 54 54 GLU N N 54 115.650 119.597 -3.947 1 1 663 . 7 1 1 A 55 55 VAL H H 55 7.020 7.194 -0.174 1 1 664 . 7 1 1 A 55 55 VAL HA H 55 4.110 4.012 0.098 1 1 672 . 7 1 1 A 55 55 VAL C C 55 177.890 176.396 1.494 1 1 673 . 7 1 1 A 55 55 VAL CA C 55 61.210 64.577 -3.367 1 1 674 . 7 1 1 A 55 55 VAL CB C 55 33.100 32.036 1.064 1 1 677 . 7 1 1 A 55 55 VAL N N 55 111.500 119.330 -7.830 1 1 678 . 7 1 1 A 56 56 ASP H H 56 7.460 7.863 -0.403 1 1 679 . 7 1 1 A 56 56 ASP HA H 56 4.360 4.637 -0.277 1 1 682 . 7 1 1 A 56 56 ASP C C 56 177.620 176.697 0.923 1 1 683 . 7 1 1 A 56 56 ASP CA C 56 53.550 53.506 0.044 1 1 684 . 7 1 1 A 56 56 ASP CB C 56 40.600 40.204 0.396 1 1 685 . 7 1 1 A 56 56 ASP N N 56 121.330 121.790 -0.460 1 1 686 . 7 1 1 A 57 57 ALA H H 57 7.780 8.239 -0.459 1 1 687 . 7 1 1 A 57 57 ALA HA H 57 4.080 4.065 0.015 1 1 691 . 7 1 1 A 57 57 ALA C C 57 175.320 178.382 -3.062 1 1 692 . 7 1 1 A 57 57 ALA CA C 57 55.000 55.126 -0.126 1 1 693 . 7 1 1 A 57 57 ALA CB C 57 19.800 18.539 1.261 1 1 694 . 7 1 1 A 57 57 ALA N N 57 130.400 128.200 2.200 1 1 695 . 7 1 1 A 58 58 ASP H H 58 8.140 8.240 -0.100 1 1 696 . 7 1 1 A 58 58 ASP HA H 58 4.540 4.578 -0.038 1 1 699 . 7 1 1 A 58 58 ASP C C 58 176.130 177.511 -1.381 1 1 700 . 7 1 1 A 58 58 ASP CA C 58 52.950 53.222 -0.272 1 1 701 . 7 1 1 A 58 58 ASP CB C 58 40.100 40.007 0.093 1 1 702 . 7 1 1 A 58 58 ASP N N 58 113.200 113.188 0.012 1 1 703 . 7 1 1 A 59 59 GLY H H 59 7.530 7.690 -0.160 1 1 704 . 7 1 1 A 59 59 GLY HA2 H 59 3.700 3.923 -0.223 1 1 705 . 7 1 1 A 59 59 GLY HA3 H 59 3.820 3.924 -0.104 1 1 706 . 7 1 1 A 59 59 GLY C C 59 178.830 175.285 3.545 1 1 707 . 7 1 1 A 59 59 GLY CA C 59 47.450 46.957 0.493 1 1 708 . 7 1 1 A 59 59 GLY N N 59 108.180 109.286 -1.106 1 1 709 . 7 1 1 A 60 60 ASN H H 60 8.080 8.681 -0.601 1 1 710 . 7 1 1 A 60 60 ASN HA H 60 4.500 4.680 -0.180 1 1 715 . 7 1 1 A 60 60 ASN CA C 60 52.900 52.655 0.245 1 1 716 . 7 1 1 A 60 60 ASN CB C 60 37.900 37.821 0.079 1 1 717 . 7 1 1 A 60 60 ASN N N 60 118.700 118.567 0.133 1 1 719 . 7 1 1 A 61 61 GLY H H 61 10.640 10.227 0.413 1 1 720 . 7 1 1 A 61 61 GLY HA2 H 61 3.370 3.900 -0.530 1 1 721 . 7 1 1 A 61 61 GLY HA3 H 61 4.190 3.901 0.289 1 1 722 . 7 1 1 A 61 61 GLY C C 61 174.970 173.458 1.512 1 1 723 . 7 1 1 A 61 61 GLY CA C 61 45.300 45.289 0.011 1 1 724 . 7 1 1 A 61 61 GLY N N 61 113.400 112.169 1.231 1 1 725 . 7 1 1 A 62 62 THR H H 62 7.550 7.814 -0.264 1 1 726 . 7 1 1 A 62 62 THR HA H 62 4.620 4.959 -0.339 1 1 731 . 7 1 1 A 62 62 THR C C 62 176.870 172.693 4.177 1 1 732 . 7 1 1 A 62 62 THR CA C 62 59.550 59.757 -0.207 1 1 733 . 7 1 1 A 62 62 THR CB C 62 72.500 72.627 -0.127 1 1 735 . 7 1 1 A 62 62 THR N N 62 107.860 109.840 -1.980 1 1 736 . 7 1 1 A 63 63 ILE H H 63 8.790 8.487 0.303 1 1 737 . 7 1 1 A 63 63 ILE HA H 63 5.280 4.889 0.391 1 1 747 . 7 1 1 A 63 63 ILE C C 63 173.250 175.253 -2.003 1 1 748 . 7 1 1 A 63 63 ILE CA C 63 57.600 59.878 -2.278 1 1 749 . 7 1 1 A 63 63 ILE CB C 63 39.400 39.553 -0.153 1 1 753 . 7 1 1 A 63 63 ILE N N 63 123.900 121.040 2.860 1 1 754 . 7 1 1 A 64 64 ASP H H 64 8.720 8.978 -0.258 1 1 755 . 7 1 1 A 64 64 ASP HA H 64 5.350 5.029 0.321 1 1 758 . 7 1 1 A 64 64 ASP C C 64 172.850 177.929 -5.079 1 1 759 . 7 1 1 A 64 64 ASP CA C 64 52.100 52.855 -0.755 1 1 760 . 7 1 1 A 64 64 ASP CB C 64 42.150 42.804 -0.654 1 1 761 . 7 1 1 A 64 64 ASP N N 64 127.860 127.281 0.579 1 1 762 . 7 1 1 A 65 65 PHE H H 65 8.840 9.237 -0.397 1 1 763 . 7 1 1 A 65 65 PHE HA H 65 3.890 4.852 -0.962 1 1 771 . 7 1 1 A 65 65 PHE C C 65 175.750 175.100 0.650 1 1 772 . 7 1 1 A 65 65 PHE CA C 65 63.300 64.045 -0.745 1 1 773 . 7 1 1 A 65 65 PHE CB C 65 36.100 37.425 -1.325 1 1 779 . 7 1 1 A 65 65 PHE N N 65 117.500 123.177 -5.677 1 1 780 . 7 1 1 A 66 66 PRO HA H 66 3.770 4.357 -0.587 1 1 787 . 7 1 1 A 66 66 PRO C C 66 175.840 179.509 -3.669 1 1 788 . 7 1 1 A 66 66 PRO CA C 66 67.100 66.486 0.614 1 1 789 . 7 1 1 A 66 66 PRO CB C 66 30.700 30.898 -0.198 1 1 792 . 7 1 1 A 67 67 GLU H H 67 8.340 8.800 -0.460 1 1 793 . 7 1 1 A 67 67 GLU HA H 67 3.920 4.148 -0.228 1 1 798 . 7 1 1 A 67 67 GLU CA C 67 59.400 59.199 0.201 1 1 799 . 7 1 1 A 67 67 GLU CB C 67 29.650 29.151 0.499 1 1 801 . 7 1 1 A 67 67 GLU N N 67 117.850 117.996 -0.146 1 1 802 . 7 1 1 A 68 68 PHE H H 68 8.630 8.359 0.271 1 1 803 . 7 1 1 A 68 68 PHE HA H 68 3.670 4.223 -0.553 1 1 811 . 7 1 1 A 68 68 PHE C C 68 174.810 177.594 -2.784 1 1 812 . 7 1 1 A 68 68 PHE CA C 68 61.400 61.335 0.065 1 1 813 . 7 1 1 A 68 68 PHE CB C 68 40.700 39.415 1.285 1 1 819 . 7 1 1 A 68 68 PHE N N 68 123.200 123.440 -0.240 1 1 820 . 7 1 1 A 69 69 LEU H H 69 8.800 8.901 -0.101 1 1 821 . 7 1 1 A 69 69 LEU HA H 69 3.130 4.124 -0.994 1 1 831 . 7 1 1 A 69 69 LEU C C 69 179.310 179.124 0.186 1 1 832 . 7 1 1 A 69 69 LEU CA C 69 58.000 58.337 -0.337 1 1 833 . 7 1 1 A 69 69 LEU CB C 69 41.550 41.855 -0.305 1 1 837 . 7 1 1 A 69 69 LEU N N 69 119.930 120.246 -0.316 1 1 838 . 7 1 1 A 70 70 THR H H 70 7.550 8.073 -0.523 1 1 839 . 7 1 1 A 70 70 THR HA H 70 3.530 4.072 -0.542 1 1 844 . 7 1 1 A 70 70 THR C C 70 180.360 177.470 2.890 1 1 845 . 7 1 1 A 70 70 THR CA C 70 66.700 65.641 1.059 1 1 846 . 7 1 1 A 70 70 THR CB C 70 68.500 68.223 0.277 1 1 848 . 7 1 1 A 70 70 THR N N 70 114.730 111.280 3.450 1 1 849 . 7 1 1 A 71 71 MET H H 71 7.000 7.732 -0.732 1 1 850 . 7 1 1 A 71 71 MET HA H 71 3.640 4.147 -0.507 1 1 858 . 7 1 1 A 71 71 MET C C 71 176.750 178.351 -1.601 1 1 859 . 7 1 1 A 71 71 MET CA C 71 58.800 58.204 0.596 1 1 860 . 7 1 1 A 71 71 MET CB C 71 32.000 32.983 -0.983 1 1 863 . 7 1 1 A 71 71 MET N N 71 119.750 120.734 -0.984 1 1 864 . 7 1 1 A 72 72 MET H H 72 7.810 8.249 -0.439 1 1 865 . 7 1 1 A 72 72 MET HA H 72 3.880 4.198 -0.318 1 1 873 . 7 1 1 A 72 72 MET C C 72 174.850 178.287 -3.437 1 1 874 . 7 1 1 A 72 72 MET CA C 72 55.100 59.102 -4.002 1 1 875 . 7 1 1 A 72 72 MET CB C 72 28.900 33.235 -4.335 1 1 878 . 7 1 1 A 72 72 MET N N 72 115.300 118.336 -3.036 1 1 879 . 7 1 1 A 73 73 ALA H H 73 7.880 8.328 -0.448 1 1 880 . 7 1 1 A 73 73 ALA HA H 73 3.990 4.003 -0.013 1 1 884 . 7 1 1 A 73 73 ALA C C 73 177.940 178.803 -0.863 1 1 885 . 7 1 1 A 73 73 ALA CA C 73 53.900 55.283 -1.383 1 1 886 . 7 1 1 A 73 73 ALA CB C 73 18.600 18.281 0.319 1 1 887 . 7 1 1 A 73 73 ALA N N 73 120.000 121.046 -1.046 1 1 888 . 7 1 1 A 74 74 ARG H H 74 7.050 7.644 -0.594 1 1 889 . 7 1 1 A 74 74 ARG HA H 74 4.040 4.350 -0.310 1 1 896 . 7 1 1 A 74 74 ARG C C 74 178.910 176.529 2.381 1 1 897 . 7 1 1 A 74 74 ARG CA C 74 57.400 56.479 0.921 1 1 898 . 7 1 1 A 74 74 ARG CB C 74 30.900 30.679 0.221 1 1 901 . 7 1 1 A 74 74 ARG N N 74 115.850 115.561 0.289 1 1 902 . 7 1 1 A 75 75 LYS H H 75 7.820 7.517 0.303 1 1 903 . 7 1 1 A 75 75 LYS HA H 75 4.200 4.540 -0.340 1 1 912 . 7 1 1 A 75 75 LYS C C 75 178.770 176.252 2.518 1 1 913 . 7 1 1 A 75 75 LYS CA C 75 55.900 55.103 0.797 1 1 914 . 7 1 1 A 75 75 LYS CB C 75 32.600 30.424 2.176 1 1 918 . 7 1 1 A 75 75 LYS N N 75 119.600 120.230 -0.630 1 1 919 . 7 1 1 A 76 76 MET H H 76 8.100 8.303 -0.203 1 1 920 . 7 1 1 A 76 76 MET HA H 76 4.300 4.848 -0.548 1 1 928 . 7 1 1 A 76 76 MET C C 76 176.990 175.919 1.071 1 1 929 . 7 1 1 A 76 76 MET CA C 76 55.800 54.063 1.737 1 1 930 . 7 1 1 A 76 76 MET CB C 76 33.800 32.878 0.922 1 1 933 . 7 1 1 A 76 76 MET N N 76 122.300 123.750 -1.450 1 1 934 . 7 1 1 A 77 77 LYS H H 77 8.150 7.609 0.541 1 1 935 . 7 1 1 A 77 77 LYS HA H 77 4.210 4.094 0.116 1 1 944 . 7 1 1 A 77 77 LYS C C 77 176.890 175.346 1.544 1 1 945 . 7 1 1 A 77 77 LYS CA C 77 56.100 56.853 -0.753 1 1 946 . 7 1 1 A 77 77 LYS CB C 77 33.000 32.754 0.246 1 1 950 . 7 1 1 A 77 77 LYS N N 77 121.300 122.266 -0.966 1 1 951 . 7 1 1 A 78 78 ASP H H 78 8.240 8.641 -0.401 1 1 952 . 7 1 1 A 78 78 ASP HA H 78 4.500 4.878 -0.378 1 1 955 . 7 1 1 A 78 78 ASP C C 78 176.090 174.700 1.390 1 1 956 . 7 1 1 A 78 78 ASP CA C 78 54.700 53.154 1.546 1 1 957 . 7 1 1 A 78 78 ASP CB C 78 41.300 41.329 -0.029 1 1 958 . 7 1 1 A 78 78 ASP N N 78 122.200 126.629 -4.429 1 1 959 . 7 1 1 A 79 79 THR H H 79 8.150 8.780 -0.630 1 1 960 . 7 1 1 A 79 79 THR HA H 79 4.220 4.551 -0.331 1 1 965 . 7 1 1 A 79 79 THR C C 79 176.240 173.663 2.577 1 1 966 . 7 1 1 A 79 79 THR CA C 79 61.500 62.782 -1.282 1 1 967 . 7 1 1 A 79 79 THR CB C 79 70.300 69.604 0.696 1 1 969 . 7 1 1 A 79 79 THR N N 79 114.940 121.777 -6.837 1 1 970 . 7 1 1 A 80 80 ASP H H 80 8.480 8.627 -0.147 1 1 971 . 7 1 1 A 80 80 ASP HA H 80 4.600 4.757 -0.157 1 1 974 . 7 1 1 A 80 80 ASP C C 80 176.230 177.157 -0.927 1 1 975 . 7 1 1 A 80 80 ASP CA C 80 54.100 54.267 -0.167 1 1 976 . 7 1 1 A 80 80 ASP CB C 80 41.600 41.761 -0.161 1 1 977 . 7 1 1 A 80 80 ASP N N 80 123.800 127.050 -3.250 1 1 978 . 7 1 1 A 81 81 SER H H 81 8.500 8.903 -0.403 1 1 979 . 7 1 1 A 81 81 SER HA H 81 4.220 4.108 0.112 1 1 982 . 7 1 1 A 81 81 SER C C 81 173.900 176.602 -2.702 1 1 983 . 7 1 1 A 81 81 SER CA C 81 60.400 61.826 -1.426 1 1 984 . 7 1 1 A 81 81 SER CB C 81 63.700 62.700 1.000 1 1 985 . 7 1 1 A 81 81 SER N N 81 118.450 122.343 -3.893 1 1 986 . 7 1 1 A 82 82 GLU H H 82 8.430 7.976 0.454 1 1 987 . 7 1 1 A 82 82 GLU HA H 82 4.010 4.173 -0.163 1 1 992 . 7 1 1 A 82 82 GLU C C 82 176.370 179.347 -2.977 1 1 993 . 7 1 1 A 82 82 GLU CA C 82 59.100 59.291 -0.191 1 1 994 . 7 1 1 A 82 82 GLU CB C 82 29.600 29.094 0.506 1 1 996 . 7 1 1 A 82 82 GLU N N 82 121.850 121.041 0.809 1 1 997 . 7 1 1 A 83 83 GLU H H 83 8.020 8.923 -0.903 1 1 998 . 7 1 1 A 83 83 GLU HA H 83 4.040 4.033 0.007 1 1 1003 . 7 1 1 A 83 83 GLU C C 83 175.890 178.068 -2.178 1 1 1004 . 7 1 1 A 83 83 GLU CA C 83 58.800 59.507 -0.707 1 1 1005 . 7 1 1 A 83 83 GLU CB C 83 29.400 29.084 0.316 1 1 1007 . 7 1 1 A 83 83 GLU N N 83 119.470 119.889 -0.419 1 1 1008 . 7 1 1 A 84 84 GLU H H 84 7.930 8.028 -0.098 1 1 1009 . 7 1 1 A 84 84 GLU HA H 84 4.150 4.326 -0.176 1 1 1014 . 7 1 1 A 84 84 GLU C C 84 176.160 178.721 -2.561 1 1 1015 . 7 1 1 A 84 84 GLU CA C 84 59.400 57.411 1.989 1 1 1016 . 7 1 1 A 84 84 GLU CB C 84 29.600 29.984 -0.384 1 1 1018 . 7 1 1 A 84 84 GLU N N 84 118.310 117.861 0.449 1 1 1019 . 7 1 1 A 85 85 ILE H H 85 7.880 8.129 -0.249 1 1 1020 . 7 1 1 A 85 85 ILE HA H 85 3.880 3.708 0.172 1 1 1030 . 7 1 1 A 85 85 ILE C C 85 179.870 177.543 2.327 1 1 1031 . 7 1 1 A 85 85 ILE CA C 85 65.400 65.084 0.316 1 1 1032 . 7 1 1 A 85 85 ILE CB C 85 37.400 37.647 -0.247 1 1 1036 . 7 1 1 A 85 85 ILE N N 85 120.900 121.354 -0.454 1 1 1037 . 7 1 1 A 86 86 ARG H H 86 7.990 8.290 -0.300 1 1 1038 . 7 1 1 A 86 86 ARG HA H 86 4.030 4.036 -0.006 1 1 1045 . 7 1 1 A 86 86 ARG C C 86 180.520 178.775 1.745 1 1 1046 . 7 1 1 A 86 86 ARG CA C 86 60.200 60.007 0.193 1 1 1047 . 7 1 1 A 86 86 ARG CB C 86 29.800 30.223 -0.423 1 1 1050 . 7 1 1 A 86 86 ARG N N 86 121.000 119.509 1.491 1 1 1051 . 7 1 1 A 87 87 GLU H H 87 8.350 8.428 -0.078 1 1 1052 . 7 1 1 A 87 87 GLU HA H 87 3.900 4.146 -0.246 1 1 1057 . 7 1 1 A 87 87 GLU C C 87 177.380 178.679 -1.299 1 1 1058 . 7 1 1 A 87 87 GLU CA C 87 59.600 59.317 0.283 1 1 1059 . 7 1 1 A 87 87 GLU CB C 87 29.500 29.476 0.024 1 1 1061 . 7 1 1 A 87 87 GLU N N 87 117.860 117.905 -0.045 1 1 1062 . 7 1 1 A 88 88 ALA H H 88 7.880 7.859 0.021 1 1 1063 . 7 1 1 A 88 88 ALA HA H 88 4.060 4.226 -0.166 1 1 1067 . 7 1 1 A 88 88 ALA C C 88 178.580 179.693 -1.113 1 1 1068 . 7 1 1 A 88 88 ALA CA C 88 55.200 54.779 0.421 1 1 1069 . 7 1 1 A 88 88 ALA CB C 88 17.900 18.256 -0.356 1 1 1070 . 7 1 1 A 88 88 ALA N N 88 120.100 122.162 -2.062 1 1 1071 . 7 1 1 A 89 89 PHE H H 89 8.550 8.262 0.288 1 1 1072 . 7 1 1 A 89 89 PHE HA H 89 4.000 3.791 0.209 1 1 1080 . 7 1 1 A 89 89 PHE C C 89 179.770 177.317 2.453 1 1 1081 . 7 1 1 A 89 89 PHE CA C 89 61.800 61.360 0.440 1 1 1082 . 7 1 1 A 89 89 PHE CB C 89 39.130 39.189 -0.059 1 1 1088 . 7 1 1 A 89 89 PHE N N 89 118.760 119.398 -0.638 1 1 1089 . 7 1 1 A 90 90 ARG H H 90 7.750 7.805 -0.055 1 1 1090 . 7 1 1 A 90 90 ARG HA H 90 3.760 4.111 -0.351 1 1 1097 . 7 1 1 A 90 90 ARG C C 90 179.090 178.827 0.263 1 1 1098 . 7 1 1 A 90 90 ARG CA C 90 58.800 59.213 -0.413 1 1 1099 . 7 1 1 A 90 90 ARG CB C 90 30.500 29.839 0.661 1 1 1102 . 7 1 1 A 90 90 ARG N N 90 115.100 118.204 -3.104 1 1 1103 . 7 1 1 A 91 91 VAL H H 91 7.270 7.521 -0.251 1 1 1104 . 7 1 1 A 91 91 VAL HA H 91 3.360 3.552 -0.192 1 1 1112 . 7 1 1 A 91 91 VAL C C 91 179.060 178.024 1.036 1 1 1113 . 7 1 1 A 91 91 VAL CA C 91 66.050 66.361 -0.311 1 1 1114 . 7 1 1 A 91 91 VAL CB C 91 31.200 31.784 -0.584 1 1 1117 . 7 1 1 A 91 91 VAL N N 91 117.450 119.510 -2.060 1 1 1118 . 7 1 1 A 92 92 PHE H H 92 7.000 7.654 -0.654 1 1 1119 . 7 1 1 A 92 92 PHE HA H 92 4.070 4.126 -0.056 1 1 1127 . 7 1 1 A 92 92 PHE C C 92 177.490 176.347 1.143 1 1 1128 . 7 1 1 A 92 92 PHE CA C 92 60.700 59.741 0.959 1 1 1129 . 7 1 1 A 92 92 PHE CB C 92 38.000 39.326 -1.326 1 1 1135 . 7 1 1 A 92 92 PHE N N 92 114.400 118.409 -4.009 1 1 1136 . 7 1 1 A 93 93 ASP H H 93 7.870 8.057 -0.187 1 1 1137 . 7 1 1 A 93 93 ASP HA H 93 4.450 4.452 -0.002 1 1 1140 . 7 1 1 A 93 93 ASP C C 93 176.830 176.234 0.596 1 1 1141 . 7 1 1 A 93 93 ASP CA C 93 52.300 52.404 -0.104 1 1 1142 . 7 1 1 A 93 93 ASP CB C 93 38.800 39.353 -0.553 1 1 1143 . 7 1 1 A 93 93 ASP N N 93 115.100 117.045 -1.945 1 1 1144 . 7 1 1 A 94 94 LYS H H 94 7.510 8.347 -0.837 1 1 1145 . 7 1 1 A 94 94 LYS HA H 94 3.770 3.768 0.002 1 1 1154 . 7 1 1 A 94 94 LYS C C 94 176.650 177.662 -1.012 1 1 1155 . 7 1 1 A 94 94 LYS CA C 94 59.400 59.981 -0.581 1 1 1156 . 7 1 1 A 94 94 LYS CB C 94 32.800 32.091 0.709 1 1 1160 . 7 1 1 A 94 94 LYS N N 94 124.250 126.522 -2.272 1 1 1161 . 7 1 1 A 95 95 ASP H H 95 8.190 7.498 0.692 1 1 1162 . 7 1 1 A 95 95 ASP HA H 95 4.430 4.599 -0.169 1 1 1165 . 7 1 1 A 95 95 ASP C C 95 177.580 177.612 -0.032 1 1 1166 . 7 1 1 A 95 95 ASP CA C 95 53.600 53.186 0.414 1 1 1167 . 7 1 1 A 95 95 ASP CB C 95 39.900 39.929 -0.029 1 1 1168 . 7 1 1 A 95 95 ASP N N 95 113.600 114.939 -1.339 1 1 1169 . 7 1 1 A 96 96 GLY H H 96 7.770 7.971 -0.201 1 1 1170 . 7 1 1 A 96 96 GLY HA2 H 96 3.750 3.912 -0.162 1 1 1171 . 7 1 1 A 96 96 GLY HA3 H 96 3.750 3.917 -0.167 1 1 1172 . 7 1 1 A 96 96 GLY C C 96 178.400 175.474 2.926 1 1 1173 . 7 1 1 A 96 96 GLY CA C 96 47.100 47.026 0.074 1 1 1174 . 7 1 1 A 96 96 GLY N N 96 108.900 109.107 -0.207 1 1 1175 . 7 1 1 A 97 97 ASN H H 97 8.270 8.000 0.270 1 1 1176 . 7 1 1 A 97 97 ASN HA H 97 4.520 4.763 -0.243 1 1 1181 . 7 1 1 A 97 97 ASN CA C 97 52.900 52.474 0.426 1 1 1182 . 7 1 1 A 97 97 ASN CB C 97 38.100 38.071 0.029 1 1 1183 . 7 1 1 A 97 97 ASN N N 97 119.460 118.875 0.585 1 1 1185 . 7 1 1 A 98 98 GLY H H 98 10.660 9.453 1.207 1 1 1186 . 7 1 1 A 98 98 GLY HA2 H 98 3.330 3.693 -0.363 1 1 1187 . 7 1 1 A 98 98 GLY HA3 H 98 3.960 3.827 0.133 1 1 1188 . 7 1 1 A 98 98 GLY C C 98 178.360 172.718 5.642 1 1 1189 . 7 1 1 A 98 98 GLY CA C 98 45.800 45.324 0.476 1 1 1190 . 7 1 1 A 98 98 GLY N N 98 112.700 111.444 1.256 1 1 1191 . 7 1 1 A 99 99 TYR H H 99 7.570 8.100 -0.530 1 1 1192 . 7 1 1 A 99 99 TYR HA H 99 4.850 5.408 -0.558 1 1 1199 . 7 1 1 A 99 99 TYR C C 99 176.090 175.087 1.003 1 1 1200 . 7 1 1 A 99 99 TYR CA C 99 56.250 55.925 0.325 1 1 1201 . 7 1 1 A 99 99 TYR CB C 99 42.700 43.262 -0.562 1 1 1206 . 7 1 1 A 99 99 TYR N N 99 115.850 117.396 -1.546 1 1 1207 . 7 1 1 A 100 100 ILE H H 100 10.120 8.872 1.248 1 1 1208 . 7 1 1 A 100 100 ILE HA H 100 4.600 4.846 -0.246 1 1 1218 . 7 1 1 A 100 100 ILE C C 100 172.730 175.483 -2.753 1 1 1219 . 7 1 1 A 100 100 ILE CA C 100 61.500 60.492 1.008 1 1 1220 . 7 1 1 A 100 100 ILE CB C 100 39.300 39.223 0.077 1 1 1224 . 7 1 1 A 100 100 ILE N N 100 127.260 124.720 2.540 1 1 1225 . 7 1 1 A 101 101 SER H H 101 9.010 9.484 -0.474 1 1 1226 . 7 1 1 A 101 101 SER HA H 101 4.820 4.631 0.189 1 1 1229 . 7 1 1 A 101 101 SER C C 101 174.660 175.665 -1.005 1 1 1230 . 7 1 1 A 101 101 SER CA C 101 55.900 58.053 -2.153 1 1 1231 . 7 1 1 A 101 101 SER CB C 101 67.000 64.505 2.495 1 1 1232 . 7 1 1 A 101 101 SER N N 101 123.850 123.710 0.140 1 1 1233 . 7 1 1 A 102 102 ALA H H 102 9.240 9.039 0.201 1 1 1234 . 7 1 1 A 102 102 ALA HA H 102 3.830 4.050 -0.220 1 1 1238 . 7 1 1 A 102 102 ALA C C 102 175.840 179.862 -4.022 1 1 1239 . 7 1 1 A 102 102 ALA CA C 102 56.170 55.804 0.366 1 1 1240 . 7 1 1 A 102 102 ALA CB C 102 18.200 17.980 0.220 1 1 1241 . 7 1 1 A 102 102 ALA N N 102 122.650 126.740 -4.090 1 1 1242 . 7 1 1 A 103 103 ALA H H 103 8.180 8.177 0.003 1 1 1243 . 7 1 1 A 103 103 ALA HA H 103 3.980 3.987 -0.007 1 1 1247 . 7 1 1 A 103 103 ALA C C 103 175.260 180.239 -4.979 1 1 1248 . 7 1 1 A 103 103 ALA CA C 103 55.200 55.213 -0.013 1 1 1249 . 7 1 1 A 103 103 ALA CB C 103 18.500 18.699 -0.199 1 1 1250 . 7 1 1 A 103 103 ALA N N 103 118.250 119.522 -1.272 1 1 1251 . 7 1 1 A 104 104 GLU H H 104 7.860 7.886 -0.026 1 1 1252 . 7 1 1 A 104 104 GLU HA H 104 3.890 3.898 -0.008 1 1 1257 . 7 1 1 A 104 104 GLU C C 104 179.350 179.032 0.318 1 1 1258 . 7 1 1 A 104 104 GLU CA C 104 59.800 59.412 0.388 1 1 1259 . 7 1 1 A 104 104 GLU CB C 104 29.500 29.704 -0.204 1 1 1261 . 7 1 1 A 104 104 GLU N N 104 120.200 118.063 2.137 1 1 1262 . 7 1 1 A 105 105 LEU H H 105 8.500 7.878 0.622 1 1 1263 . 7 1 1 A 105 105 LEU HA H 105 3.960 3.950 0.010 1 1 1273 . 7 1 1 A 105 105 LEU C C 105 179.190 178.556 0.634 1 1 1274 . 7 1 1 A 105 105 LEU CA C 105 58.400 57.905 0.495 1 1 1275 . 7 1 1 A 105 105 LEU CB C 105 42.600 41.699 0.901 1 1 1279 . 7 1 1 A 105 105 LEU N N 105 120.100 121.154 -1.054 1 1 1280 . 7 1 1 A 106 106 ARG H H 106 8.490 8.290 0.200 1 1 1281 . 7 1 1 A 106 106 ARG HA H 106 3.550 3.933 -0.383 1 1 1288 . 7 1 1 A 106 106 ARG C C 106 175.240 178.472 -3.232 1 1 1289 . 7 1 1 A 106 106 ARG CA C 106 60.300 59.241 1.059 1 1 1290 . 7 1 1 A 106 106 ARG CB C 106 30.400 29.778 0.622 1 1 1293 . 7 1 1 A 106 106 ARG N N 106 117.300 120.038 -2.738 1 1 1294 . 7 1 1 A 107 107 HIS H H 107 7.870 7.976 -0.106 1 1 1295 . 7 1 1 A 107 107 HIS HA H 107 4.120 4.141 -0.021 1 1 1300 . 7 1 1 A 107 107 HIS C C 107 176.690 177.318 -0.628 1 1 1301 . 7 1 1 A 107 107 HIS CA C 107 60.300 59.270 1.030 1 1 1302 . 7 1 1 A 107 107 HIS CB C 107 31.100 29.602 1.498 1 1 1304 . 7 1 1 A 107 107 HIS N N 107 120.000 119.501 0.499 1 1 1306 . 7 1 1 A 108 108 VAL H H 108 8.190 8.662 -0.472 1 1 1307 . 7 1 1 A 108 108 VAL HA H 108 3.400 3.427 -0.027 1 1 1315 . 7 1 1 A 108 108 VAL C C 108 178.430 177.845 0.585 1 1 1316 . 7 1 1 A 108 108 VAL CA C 108 66.500 66.444 0.056 1 1 1317 . 7 1 1 A 108 108 VAL CB C 108 31.800 31.054 0.746 1 1 1320 . 7 1 1 A 108 108 VAL N N 108 118.980 119.562 -0.582 1 1 1321 . 7 1 1 A 109 109 MET H H 109 8.180 7.666 0.514 1 1 1322 . 7 1 1 A 109 109 MET HA H 109 4.220 4.064 0.156 1 1 1330 . 7 1 1 A 109 109 MET C C 109 179.690 178.926 0.764 1 1 1331 . 7 1 1 A 109 109 MET CA C 109 57.300 58.800 -1.500 1 1 1332 . 7 1 1 A 109 109 MET CB C 109 29.700 32.517 -2.817 1 1 1335 . 7 1 1 A 109 109 MET N N 109 114.980 117.553 -2.573 1 1 1336 . 7 1 1 A 110 110 THR H H 110 8.220 7.915 0.305 1 1 1337 . 7 1 1 A 110 110 THR HA H 110 4.000 3.767 0.233 1 1 1342 . 7 1 1 A 110 110 THR C C 110 176.410 176.439 -0.029 1 1 1343 . 7 1 1 A 110 110 THR CA C 110 67.100 67.044 0.056 1 1 1344 . 7 1 1 A 110 110 THR CB C 110 68.500 68.293 0.207 1 1 1346 . 7 1 1 A 110 110 THR N N 110 116.970 115.008 1.962 1 1 1347 . 7 1 1 A 111 111 ASN H H 111 7.780 7.698 0.082 1 1 1348 . 7 1 1 A 111 111 ASN HA H 111 4.320 4.497 -0.177 1 1 1353 . 7 1 1 A 111 111 ASN CA C 111 55.800 56.130 -0.330 1 1 1354 . 7 1 1 A 111 111 ASN CB C 111 38.200 37.976 0.224 1 1 1355 . 7 1 1 A 111 111 ASN N N 111 122.350 119.493 2.857 1 1 1357 . 7 1 1 A 112 112 LEU H H 112 7.480 7.410 0.070 1 1 1358 . 7 1 1 A 112 112 LEU HA H 112 4.210 4.275 -0.065 1 1 1368 . 7 1 1 A 112 112 LEU C C 112 178.710 177.010 1.700 1 1 1369 . 7 1 1 A 112 112 LEU CA C 112 55.100 55.223 -0.123 1 1 1370 . 7 1 1 A 112 112 LEU CB C 112 42.500 42.551 -0.051 1 1 1374 . 7 1 1 A 112 112 LEU N N 112 118.300 117.253 1.047 1 1 1375 . 7 1 1 A 113 113 GLY H H 113 7.740 7.761 -0.021 1 1 1376 . 7 1 1 A 113 113 GLY HA2 H 113 3.580 3.936 -0.356 1 1 1377 . 7 1 1 A 113 113 GLY HA3 H 113 4.140 3.946 0.194 1 1 1378 . 7 1 1 A 113 113 GLY C C 113 176.830 174.793 2.037 1 1 1379 . 7 1 1 A 113 113 GLY CA C 113 45.370 46.370 -1.000 1 1 1380 . 7 1 1 A 113 113 GLY N N 113 106.500 108.216 -1.716 1 1 1381 . 7 1 1 A 114 114 GLU H H 114 7.780 8.207 -0.427 1 1 1382 . 7 1 1 A 114 114 GLU HA H 114 4.240 4.378 -0.138 1 1 1387 . 7 1 1 A 114 114 GLU C C 114 176.790 175.918 0.872 1 1 1388 . 7 1 1 A 114 114 GLU CA C 114 54.800 56.349 -1.549 1 1 1389 . 7 1 1 A 114 114 GLU CB C 114 29.900 30.378 -0.478 1 1 1391 . 7 1 1 A 114 114 GLU N N 114 119.300 118.826 0.474 1 1 1392 . 7 1 1 A 115 115 LYS H H 115 8.540 7.838 0.702 1 1 1393 . 7 1 1 A 115 115 LYS HA H 115 4.270 3.771 0.499 1 1 1402 . 7 1 1 A 115 115 LYS C C 115 174.300 175.670 -1.370 1 1 1403 . 7 1 1 A 115 115 LYS CA C 115 55.500 57.076 -1.576 1 1 1404 . 7 1 1 A 115 115 LYS CB C 115 31.900 30.322 1.578 1 1 1408 . 7 1 1 A 115 115 LYS N N 115 125.000 116.623 8.377 1 1 1409 . 7 1 1 A 116 116 LEU H H 116 8.000 7.947 0.053 1 1 1410 . 7 1 1 A 116 116 LEU HA H 116 4.630 4.342 0.288 1 1 1420 . 7 1 1 A 116 116 LEU C C 116 175.060 177.887 -2.827 1 1 1421 . 7 1 1 A 116 116 LEU CA C 116 54.100 54.744 -0.644 1 1 1422 . 7 1 1 A 116 116 LEU CB C 116 44.100 42.623 1.477 1 1 1426 . 7 1 1 A 116 116 LEU N N 116 123.620 120.232 3.388 1 1 1427 . 7 1 1 A 117 117 THR H H 117 9.140 8.750 0.390 1 1 1428 . 7 1 1 A 117 117 THR HA H 117 4.340 4.638 -0.298 1 1 1433 . 7 1 1 A 117 117 THR C C 117 175.610 175.278 0.332 1 1 1434 . 7 1 1 A 117 117 THR CA C 117 60.500 60.594 -0.094 1 1 1435 . 7 1 1 A 117 117 THR CB C 117 71.100 71.410 -0.310 1 1 1437 . 7 1 1 A 117 117 THR N N 117 114.240 115.009 -0.769 1 1 1438 . 7 1 1 A 118 118 ASP H H 118 8.820 8.911 -0.091 1 1 1439 . 7 1 1 A 118 118 ASP HA H 118 4.100 4.224 -0.124 1 1 1442 . 7 1 1 A 118 118 ASP C C 118 178.610 177.952 0.658 1 1 1443 . 7 1 1 A 118 118 ASP CA C 118 58.000 58.085 -0.085 1 1 1444 . 7 1 1 A 118 118 ASP CB C 118 39.700 41.209 -1.509 1 1 1445 . 7 1 1 A 118 118 ASP N N 118 120.660 121.838 -1.178 1 1 1446 . 7 1 1 A 119 119 GLU H H 119 8.450 8.218 0.232 1 1 1447 . 7 1 1 A 119 119 GLU HA H 119 3.960 3.998 -0.038 1 1 1452 . 7 1 1 A 119 119 GLU C C 119 175.620 179.374 -3.754 1 1 1453 . 7 1 1 A 119 119 GLU CA C 119 59.800 59.693 0.107 1 1 1454 . 7 1 1 A 119 119 GLU CB C 119 29.400 29.102 0.298 1 1 1456 . 7 1 1 A 119 119 GLU N N 119 118.790 118.673 0.117 1 1 1457 . 7 1 1 A 120 120 GLU H H 120 7.570 7.773 -0.203 1 1 1458 . 7 1 1 A 120 120 GLU HA H 120 3.950 4.108 -0.158 1 1 1463 . 7 1 1 A 120 120 GLU C C 120 178.630 179.264 -0.634 1 1 1464 . 7 1 1 A 120 120 GLU CA C 120 59.600 58.823 0.777 1 1 1465 . 7 1 1 A 120 120 GLU CB C 120 29.400 29.254 0.146 1 1 1467 . 7 1 1 A 120 120 GLU N N 120 120.120 118.818 1.302 1 1 1468 . 7 1 1 A 121 121 VAL H H 121 7.750 8.090 -0.340 1 1 1469 . 7 1 1 A 121 121 VAL HA H 121 3.240 3.575 -0.335 1 1 1477 . 7 1 1 A 121 121 VAL C C 121 179.110 177.588 1.522 1 1 1478 . 7 1 1 A 121 121 VAL CA C 121 67.300 66.299 1.001 1 1 1479 . 7 1 1 A 121 121 VAL CB C 121 31.550 31.602 -0.052 1 1 1482 . 7 1 1 A 121 121 VAL N N 121 119.400 121.587 -2.187 1 1 1483 . 7 1 1 A 122 122 ASP H H 122 7.840 8.090 -0.250 1 1 1484 . 7 1 1 A 122 122 ASP HA H 122 4.260 4.378 -0.118 1 1 1487 . 7 1 1 A 122 122 ASP C C 122 178.890 179.444 -0.554 1 1 1488 . 7 1 1 A 122 122 ASP CA C 122 57.700 57.451 0.249 1 1 1489 . 7 1 1 A 122 122 ASP CB C 122 40.200 40.148 0.052 1 1 1490 . 7 1 1 A 122 122 ASP N N 122 118.550 119.890 -1.340 1 1 1491 . 7 1 1 A 123 123 GLU H H 123 8.110 7.860 0.250 1 1 1492 . 7 1 1 A 123 123 GLU HA H 123 3.880 4.082 -0.202 1 1 1497 . 7 1 1 A 123 123 GLU C C 123 177.710 179.265 -1.555 1 1 1498 . 7 1 1 A 123 123 GLU CA C 123 59.600 59.291 0.309 1 1 1499 . 7 1 1 A 123 123 GLU CB C 123 29.400 29.271 0.129 1 1 1501 . 7 1 1 A 123 123 GLU N N 123 119.670 120.349 -0.679 1 1 1502 . 7 1 1 A 124 124 MET H H 124 8.000 8.082 -0.082 1 1 1503 . 7 1 1 A 124 124 MET HA H 124 3.700 4.145 -0.445 1 1 1511 . 7 1 1 A 124 124 MET C C 124 179.020 178.870 0.150 1 1 1512 . 7 1 1 A 124 124 MET CA C 124 60.700 58.752 1.948 1 1 1513 . 7 1 1 A 124 124 MET CB C 124 33.200 33.006 0.194 1 1 1516 . 7 1 1 A 124 124 MET N N 124 118.100 119.363 -1.263 1 1 1517 . 7 1 1 A 125 125 ILE H H 125 8.220 7.834 0.386 1 1 1518 . 7 1 1 A 125 125 ILE HA H 125 3.610 3.606 0.004 1 1 1528 . 7 1 1 A 125 125 ILE C C 125 179.410 177.824 1.586 1 1 1529 . 7 1 1 A 125 125 ILE CA C 125 64.200 64.980 -0.780 1 1 1530 . 7 1 1 A 125 125 ILE CB C 125 36.000 37.822 -1.822 1 1 1534 . 7 1 1 A 125 125 ILE N N 125 121.400 119.501 1.899 1 1 1535 . 7 1 1 A 126 126 ARG H H 126 8.510 8.143 0.367 1 1 1536 . 7 1 1 A 126 126 ARG HA H 126 3.930 3.907 0.023 1 1 1543 . 7 1 1 A 126 126 ARG C C 126 178.070 179.066 -0.996 1 1 1544 . 7 1 1 A 126 126 ARG CA C 126 59.500 60.002 -0.502 1 1 1545 . 7 1 1 A 126 126 ARG CB C 126 30.300 29.849 0.451 1 1 1548 . 7 1 1 A 126 126 ARG N N 126 117.650 119.834 -2.184 1 1 1549 . 7 1 1 A 127 127 GLU H H 127 7.820 8.290 -0.470 1 1 1550 . 7 1 1 A 127 127 GLU HA H 127 3.880 4.030 -0.150 1 1 1555 . 7 1 1 A 127 127 GLU C C 127 180.080 178.135 1.945 1 1 1556 . 7 1 1 A 127 127 GLU CA C 127 58.300 59.317 -1.017 1 1 1557 . 7 1 1 A 127 127 GLU CB C 127 29.800 29.247 0.553 1 1 1559 . 7 1 1 A 127 127 GLU N N 127 115.300 119.691 -4.391 1 1 1560 . 7 1 1 A 128 128 ALA H H 128 6.960 7.203 -0.243 1 1 1561 . 7 1 1 A 128 128 ALA HA H 128 4.340 4.375 -0.035 1 1 1565 . 7 1 1 A 128 128 ALA C C 128 181.640 177.177 4.463 1 1 1566 . 7 1 1 A 128 128 ALA CA C 128 51.700 51.990 -0.290 1 1 1567 . 7 1 1 A 128 128 ALA CB C 128 22.400 20.097 2.303 1 1 1568 . 7 1 1 A 128 128 ALA N N 128 115.890 120.686 -4.796 1 1 1569 . 7 1 1 A 129 129 ASP H H 129 8.210 7.680 0.530 1 1 1570 . 7 1 1 A 129 129 ASP HA H 129 4.360 4.584 -0.224 1 1 1573 . 7 1 1 A 129 129 ASP C C 129 176.420 176.633 -0.213 1 1 1574 . 7 1 1 A 129 129 ASP CA C 129 54.300 54.236 0.064 1 1 1575 . 7 1 1 A 129 129 ASP CB C 129 40.400 40.974 -0.574 1 1 1576 . 7 1 1 A 129 129 ASP N N 129 117.100 118.480 -1.380 1 1 1577 . 7 1 1 A 130 130 ILE H H 130 8.250 8.923 -0.673 1 1 1578 . 7 1 1 A 130 130 ILE HA H 130 3.800 3.992 -0.192 1 1 1588 . 7 1 1 A 130 130 ILE C C 130 177.960 175.624 2.336 1 1 1589 . 7 1 1 A 130 130 ILE CA C 130 63.500 62.779 0.721 1 1 1590 . 7 1 1 A 130 130 ILE CB C 130 38.500 38.289 0.211 1 1 1594 . 7 1 1 A 130 130 ILE N N 130 127.900 127.728 0.172 1 1 1595 . 7 1 1 A 131 131 ASP H H 131 8.220 7.653 0.567 1 1 1596 . 7 1 1 A 131 131 ASP HA H 131 4.400 4.941 -0.541 1 1 1599 . 7 1 1 A 131 131 ASP C C 131 175.850 175.908 -0.058 1 1 1600 . 7 1 1 A 131 131 ASP CA C 131 53.800 52.562 1.238 1 1 1601 . 7 1 1 A 131 131 ASP CB C 131 39.900 44.035 -4.135 1 1 1602 . 7 1 1 A 131 131 ASP N N 131 116.250 117.270 -1.020 1 1 1603 . 7 1 1 A 132 132 GLY H H 132 7.520 9.065 -1.545 1 1 1604 . 7 1 1 A 132 132 GLY HA2 H 132 3.700 3.895 -0.195 1 1 1605 . 7 1 1 A 132 132 GLY HA3 H 132 3.900 3.899 0.001 1 1 1606 . 7 1 1 A 132 132 GLY C C 132 177.820 175.064 2.756 1 1 1607 . 7 1 1 A 132 132 GLY CA C 132 47.400 47.250 0.150 1 1 1608 . 7 1 1 A 132 132 GLY N N 132 108.170 108.119 0.051 1 1 1609 . 7 1 1 A 133 133 ASP H H 133 8.240 8.409 -0.169 1 1 1610 . 7 1 1 A 133 133 ASP HA H 133 4.360 4.554 -0.194 1 1 1613 . 7 1 1 A 133 133 ASP C C 133 178.290 177.514 0.776 1 1 1614 . 7 1 1 A 133 133 ASP CA C 133 53.800 53.489 0.311 1 1 1615 . 7 1 1 A 133 133 ASP CB C 133 40.300 40.317 -0.017 1 1 1616 . 7 1 1 A 133 133 ASP N N 133 120.370 120.152 0.218 1 1 1617 . 7 1 1 A 134 134 GLY H H 134 10.140 9.581 0.559 1 1 1618 . 7 1 1 A 134 134 GLY HA2 H 134 3.300 3.850 -0.550 1 1 1619 . 7 1 1 A 134 134 GLY HA3 H 134 3.930 3.858 0.072 1 1 1620 . 7 1 1 A 134 134 GLY C C 134 175.350 173.264 2.086 1 1 1621 . 7 1 1 A 134 134 GLY CA C 134 45.900 45.644 0.256 1 1 1622 . 7 1 1 A 134 134 GLY N N 134 112.150 111.110 1.040 1 1 1623 . 7 1 1 A 135 135 GLN H H 135 7.910 8.153 -0.243 1 1 1624 . 7 1 1 A 135 135 GLN HA H 135 4.870 4.980 -0.110 1 1 1631 . 7 1 1 A 135 135 GLN C C 135 177.620 173.861 3.759 1 1 1632 . 7 1 1 A 135 135 GLN CA C 135 53.300 53.718 -0.418 1 1 1633 . 7 1 1 A 135 135 GLN CB C 135 33.000 32.584 0.416 1 1 1635 . 7 1 1 A 135 135 GLN N N 135 114.700 118.477 -3.777 1 1 1637 . 7 1 1 A 136 136 VAL H H 136 9.070 8.489 0.581 1 1 1638 . 7 1 1 A 136 136 VAL HA H 136 5.110 5.135 -0.025 1 1 1646 . 7 1 1 A 136 136 VAL C C 136 172.750 175.546 -2.796 1 1 1647 . 7 1 1 A 136 136 VAL CA C 136 61.800 60.349 1.451 1 1 1648 . 7 1 1 A 136 136 VAL CB C 136 34.100 33.769 0.331 1 1 1651 . 7 1 1 A 136 136 VAL N N 136 124.900 122.212 2.688 1 1 1652 . 7 1 1 A 137 137 ASN H H 137 9.450 9.093 0.357 1 1 1653 . 7 1 1 A 137 137 ASN HA H 137 5.240 5.272 -0.032 1 1 1658 . 7 1 1 A 137 137 ASN CA C 137 51.400 52.623 -1.223 1 1 1659 . 7 1 1 A 137 137 ASN CB C 137 40.000 39.747 0.253 1 1 1660 . 7 1 1 A 137 137 ASN N N 137 128.840 127.344 1.496 1 1 1662 . 7 1 1 A 138 138 TYR H H 138 8.330 8.983 -0.653 1 1 1663 . 7 1 1 A 138 138 TYR HA H 138 3.240 4.322 -1.082 1 1 1670 . 7 1 1 A 138 138 TYR C C 138 180.030 177.205 2.825 1 1 1671 . 7 1 1 A 138 138 TYR CA C 138 62.400 62.541 -0.141 1 1 1672 . 7 1 1 A 138 138 TYR CB C 138 38.000 38.462 -0.462 1 1 1677 . 7 1 1 A 138 138 TYR N N 138 118.150 123.348 -5.198 1 1 1678 . 7 1 1 A 139 139 GLU H H 139 7.990 8.238 -0.248 1 1 1679 . 7 1 1 A 139 139 GLU HA H 139 3.520 3.802 -0.282 1 1 1684 . 7 1 1 A 139 139 GLU C C 139 179.170 179.432 -0.262 1 1 1685 . 7 1 1 A 139 139 GLU CA C 139 60.550 60.264 0.286 1 1 1686 . 7 1 1 A 139 139 GLU CB C 139 29.100 29.585 -0.485 1 1 1688 . 7 1 1 A 139 139 GLU N N 139 118.100 118.055 0.045 1 1 1689 . 7 1 1 A 140 140 GLU H H 140 8.640 8.197 0.443 1 1 1690 . 7 1 1 A 140 140 GLU HA H 140 3.780 4.073 -0.293 1 1 1695 . 7 1 1 A 140 140 GLU C C 140 181.440 178.942 2.498 1 1 1696 . 7 1 1 A 140 140 GLU CA C 140 58.800 59.086 -0.286 1 1 1697 . 7 1 1 A 140 140 GLU CB C 140 29.200 29.603 -0.403 1 1 1699 . 7 1 1 A 140 140 GLU N N 140 119.300 120.311 -1.011 1 1 1700 . 7 1 1 A 141 141 PHE H H 141 8.470 8.139 0.331 1 1 1701 . 7 1 1 A 141 141 PHE HA H 141 3.380 3.923 -0.543 1 1 1709 . 7 1 1 A 141 141 PHE C C 141 178.980 176.799 2.181 1 1 1710 . 7 1 1 A 141 141 PHE CA C 141 61.900 61.345 0.555 1 1 1711 . 7 1 1 A 141 141 PHE CB C 141 40.200 39.274 0.926 1 1 1717 . 7 1 1 A 141 141 PHE N N 141 123.640 121.745 1.895 1 1 1718 . 7 1 1 A 142 142 VAL H H 142 8.510 8.127 0.383 1 1 1719 . 7 1 1 A 142 142 VAL HA H 142 3.000 3.318 -0.318 1 1 1727 . 7 1 1 A 142 142 VAL C C 142 176.540 177.632 -1.092 1 1 1728 . 7 1 1 A 142 142 VAL CA C 142 66.900 66.353 0.547 1 1 1729 . 7 1 1 A 142 142 VAL CB C 142 31.450 31.361 0.089 1 1 1732 . 7 1 1 A 142 142 VAL N N 142 118.330 118.932 -0.602 1 1 1733 . 7 1 1 A 143 143 GLN H H 143 7.520 8.102 -0.582 1 1 1734 . 7 1 1 A 143 143 GLN HA H 143 3.750 3.902 -0.152 1 1 1741 . 7 1 1 A 143 143 GLN C C 143 176.630 178.186 -1.556 1 1 1742 . 7 1 1 A 143 143 GLN CA C 143 58.900 59.248 -0.348 1 1 1743 . 7 1 1 A 143 143 GLN CB C 143 28.200 28.129 0.071 1 1 1745 . 7 1 1 A 143 143 GLN N N 143 118.100 119.430 -1.330 1 1 1747 . 7 1 1 A 144 144 MET H H 144 7.250 7.835 -0.585 1 1 1748 . 7 1 1 A 144 144 MET HA H 144 4.090 4.223 -0.133 1 1 1756 . 7 1 1 A 144 144 MET C C 144 179.340 178.710 0.630 1 1 1757 . 7 1 1 A 144 144 MET CA C 144 56.750 57.432 -0.682 1 1 1758 . 7 1 1 A 144 144 MET CB C 144 30.800 32.493 -1.693 1 1 1761 . 7 1 1 A 144 144 MET N N 144 117.300 117.893 -0.593 1 1 1762 . 7 1 1 A 145 145 MET H H 145 7.460 7.768 -0.308 1 1 1763 . 7 1 1 A 145 145 MET HA H 145 3.900 3.995 -0.095 1 1 1771 . 7 1 1 A 145 145 MET C C 145 178.110 177.452 0.658 1 1 1772 . 7 1 1 A 145 145 MET CA C 145 56.800 57.878 -1.078 1 1 1773 . 7 1 1 A 145 145 MET CB C 145 31.800 33.663 -1.863 1 1 1776 . 7 1 1 A 145 145 MET N N 145 114.350 118.735 -4.385 1 1 1777 . 7 1 1 A 146 146 THR H H 146 7.560 7.915 -0.355 1 1 1778 . 7 1 1 A 146 146 THR HA H 146 4.220 4.417 -0.197 1 1 1783 . 7 1 1 A 146 146 THR C C 146 177.440 173.851 3.589 1 1 1784 . 7 1 1 A 146 146 THR CA C 146 62.650 61.224 1.426 1 1 1785 . 7 1 1 A 146 146 THR CB C 146 69.700 69.181 0.519 1 1 1787 . 7 1 1 A 146 146 THR N N 146 109.350 107.971 1.379 1 1 1788 . 7 1 1 A 147 147 ALA H H 147 7.420 7.304 0.116 1 1 1789 . 7 1 1 A 147 147 ALA HA H 147 4.170 4.329 -0.159 1 1 1793 . 7 1 1 A 147 147 ALA C C 147 177.480 176.321 1.159 1 1 1794 . 7 1 1 A 147 147 ALA CA C 147 52.900 51.649 1.251 1 1 1795 . 7 1 1 A 147 147 ALA CB C 147 19.200 18.145 1.055 1 1 1796 . 7 1 1 A 147 147 ALA N N 147 125.650 125.301 0.349 1 1 1814 . 7 2 2 B 1 1 ARG H H 1088 8.270 8.131 0.139 1 1 1815 . 7 2 2 B 1 1 ARG HA H 1088 3.860 4.064 -0.204 1 1 1822 . 7 2 2 B 1 1 ARG CA C 1088 59.900 56.924 2.976 1 1 1823 . 7 2 2 B 1 1 ARG CB C 1088 29.900 28.991 0.909 1 1 1826 . 7 2 2 B 1 1 ARG N N 1088 117.300 118.591 -1.291 1 1 1827 . 7 2 2 B 2 2 GLY H H 1089 9.370 7.861 1.509 1 1 1828 . 7 2 2 B 2 2 GLY HA2 H 1089 3.520 3.966 -0.446 1 1 1829 . 7 2 2 B 2 2 GLY HA3 H 1089 3.730 3.985 -0.255 1 1 1830 . 7 2 2 B 2 2 GLY C C 1089 176.650 175.575 1.075 1 1 1831 . 7 2 2 B 2 2 GLY CA C 1089 47.200 46.532 0.668 1 1 1832 . 7 2 2 B 2 2 GLY N N 1089 105.000 108.856 -3.856 1 1 1833 . 7 2 2 B 3 3 GLN H H 1090 6.980 7.850 -0.870 1 1 1834 . 7 2 2 B 3 3 GLN HA H 1090 3.830 4.124 -0.294 1 1 1841 . 7 2 2 B 3 3 GLN C C 1090 177.680 178.617 -0.937 1 1 1842 . 7 2 2 B 3 3 GLN CA C 1090 59.100 58.704 0.396 1 1 1843 . 7 2 2 B 3 3 GLN CB C 1090 29.800 28.308 1.492 1 1 1845 . 7 2 2 B 3 3 GLN N N 1090 117.350 119.752 -2.402 1 1 1847 . 7 2 2 B 4 4 ILE H H 1091 7.760 7.744 0.016 1 1 1848 . 7 2 2 B 4 4 ILE HA H 1091 3.480 3.675 -0.195 1 1 1858 . 7 2 2 B 4 4 ILE C C 1091 175.070 178.252 -3.182 1 1 1859 . 7 2 2 B 4 4 ILE CA C 1091 65.600 65.962 -0.362 1 1 1860 . 7 2 2 B 4 4 ILE CB C 1091 38.000 38.174 -0.174 1 1 1864 . 7 2 2 B 4 4 ILE N N 1091 119.650 121.081 -1.431 1 1 1865 . 7 2 2 B 5 5 LEU H H 1092 7.830 8.341 -0.511 1 1 1866 . 7 2 2 B 5 5 LEU HA H 1092 3.820 3.908 -0.088 1 1 1876 . 7 2 2 B 5 5 LEU C C 1092 176.220 179.096 -2.876 1 1 1877 . 7 2 2 B 5 5 LEU CA C 1092 58.250 58.389 -0.139 1 1 1878 . 7 2 2 B 5 5 LEU CB C 1092 41.700 42.191 -0.491 1 1 1882 . 7 2 2 B 5 5 LEU N N 1092 119.200 118.736 0.464 1 1 1883 . 7 2 2 B 6 6 TRP H H 1093 7.650 8.266 -0.616 1 1 1884 . 7 2 2 B 6 6 TRP HA H 1093 4.120 4.346 -0.226 1 1 1893 . 7 2 2 B 6 6 TRP C C 1093 178.490 179.240 -0.750 1 1 1894 . 7 2 2 B 6 6 TRP CA C 1093 61.100 60.468 0.632 1 1 1895 . 7 2 2 B 6 6 TRP CB C 1093 30.000 29.185 0.815 1 1 1901 . 7 2 2 B 6 6 TRP N N 1093 119.200 118.600 0.600 1 1 1903 . 7 2 2 B 7 7 PHE H H 1094 8.400 8.442 -0.042 1 1 1904 . 7 2 2 B 7 7 PHE HA H 1094 4.390 4.235 0.155 1 1 1912 . 7 2 2 B 7 7 PHE C C 1094 178.840 177.462 1.378 1 1 1913 . 7 2 2 B 7 7 PHE CA C 1094 59.700 61.531 -1.831 1 1 1914 . 7 2 2 B 7 7 PHE CB C 1094 37.000 39.253 -2.253 1 1 1919 . 7 2 2 B 7 7 PHE N N 1094 117.800 119.917 -2.117 1 1 1920 . 7 2 2 B 8 8 ARG H H 1095 8.360 8.299 0.061 1 1 1921 . 7 2 2 B 8 8 ARG HA H 1095 4.140 4.099 0.041 1 1 1928 . 7 2 2 B 8 8 ARG C C 1095 178.290 179.021 -0.731 1 1 1929 . 7 2 2 B 8 8 ARG CA C 1095 59.600 59.751 -0.151 1 1 1930 . 7 2 2 B 8 8 ARG CB C 1095 30.500 30.232 0.268 1 1 1933 . 7 2 2 B 8 8 ARG N N 1095 120.800 117.927 2.873 1 1 1934 . 7 2 2 B 9 9 GLY H H 1096 8.330 8.234 0.096 1 1 1935 . 7 2 2 B 9 9 GLY HA2 H 1096 3.560 3.599 -0.039 1 1 1936 . 7 2 2 B 9 9 GLY HA3 H 1096 3.720 3.623 0.097 1 1 1937 . 7 2 2 B 9 9 GLY C C 1096 178.010 175.496 2.514 1 1 1938 . 7 2 2 B 9 9 GLY CA C 1096 47.200 47.280 -0.080 1 1 1939 . 7 2 2 B 9 9 GLY N N 1096 106.400 107.157 -0.757 1 1 1940 . 7 2 2 B 10 10 LEU H H 1097 9.090 7.953 1.137 1 1 1941 . 7 2 2 B 10 10 LEU HA H 1097 4.150 3.908 0.242 1 1 1951 . 7 2 2 B 10 10 LEU C C 1097 178.820 178.302 0.518 1 1 1952 . 7 2 2 B 10 10 LEU CA C 1097 58.500 57.132 1.368 1 1 1953 . 7 2 2 B 10 10 LEU CB C 1097 41.600 40.965 0.635 1 1 1957 . 7 2 2 B 10 10 LEU N N 1097 120.900 122.576 -1.676 1 1 1958 . 7 2 2 B 11 11 ASN H H 1098 8.380 7.816 0.564 1 1 1959 . 7 2 2 B 11 11 ASN HA H 1098 4.440 4.145 0.295 1 1 1964 . 7 2 2 B 11 11 ASN CA C 1098 56.700 56.766 -0.066 1 1 1965 . 7 2 2 B 11 11 ASN CB C 1098 38.700 39.564 -0.864 1 1 1966 . 7 2 2 B 11 11 ASN N N 1098 116.900 116.894 0.006 1 1 1968 . 7 2 2 B 12 12 ARG H H 1099 7.900 7.509 0.391 1 1 1969 . 7 2 2 B 12 12 ARG HA H 1099 3.980 4.064 -0.084 1 1 1976 . 7 2 2 B 12 12 ARG C C 1099 178.360 178.270 0.090 1 1 1977 . 7 2 2 B 12 12 ARG CA C 1099 60.200 59.100 1.100 1 1 1978 . 7 2 2 B 12 12 ARG CB C 1099 32.600 29.927 2.673 1 1 1981 . 7 2 2 B 12 12 ARG N N 1099 120.100 118.295 1.805 1 1 1982 . 7 2 2 B 13 13 ILE H H 1100 8.230 7.963 0.267 1 1 1983 . 7 2 2 B 13 13 ILE HA H 1100 3.840 3.628 0.212 1 1 1993 . 7 2 2 B 13 13 ILE C C 1100 178.110 177.931 0.179 1 1 1994 . 7 2 2 B 13 13 ILE CA C 1100 63.800 65.419 -1.619 1 1 1995 . 7 2 2 B 13 13 ILE CB C 1100 37.300 37.612 -0.312 1 1 1999 . 7 2 2 B 13 13 ILE N N 1100 120.350 120.812 -0.462 1 1 2000 . 7 2 2 B 14 14 GLN H H 1101 8.830 7.855 0.975 1 1 2001 . 7 2 2 B 14 14 GLN HA H 1101 3.990 3.919 0.071 1 1 2008 . 7 2 2 B 14 14 GLN C C 1101 177.860 178.822 -0.962 1 1 2009 . 7 2 2 B 14 14 GLN CA C 1101 60.000 59.264 0.736 1 1 2010 . 7 2 2 B 14 14 GLN CB C 1101 28.800 28.372 0.428 1 1 2012 . 7 2 2 B 14 14 GLN N N 1101 118.700 118.096 0.604 1 1 2014 . 7 2 2 B 15 15 THR H H 1102 8.140 7.638 0.502 1 1 2015 . 7 2 2 B 15 15 THR HA H 1102 3.890 3.792 0.098 1 1 2020 . 7 2 2 B 15 15 THR C C 1102 177.470 176.462 1.008 1 1 2021 . 7 2 2 B 15 15 THR CA C 1102 67.400 67.398 0.002 1 1 2022 . 7 2 2 B 15 15 THR CB C 1102 70.300 68.368 1.932 1 1 2024 . 7 2 2 B 15 15 THR N N 1102 117.500 117.999 -0.499 1 1 2025 . 7 2 2 B 16 16 GLN H H 1103 8.320 8.388 -0.068 1 1 2026 . 7 2 2 B 16 16 GLN HA H 1103 4.100 3.932 0.168 1 1 2033 . 7 2 2 B 16 16 GLN C C 1103 178.890 178.679 0.211 1 1 2034 . 7 2 2 B 16 16 GLN CA C 1103 60.600 59.256 1.344 1 1 2035 . 7 2 2 B 16 16 GLN CB C 1103 30.500 28.474 2.026 1 1 2037 . 7 2 2 B 16 16 GLN N N 1103 120.650 119.145 1.505 1 1 2039 . 7 2 2 B 17 17 ILE H H 1104 8.690 7.425 1.265 1 1 2040 . 7 2 2 B 17 17 ILE HA H 1104 3.470 4.024 -0.554 1 1 2050 . 7 2 2 B 17 17 ILE C C 1104 175.230 177.908 -2.678 1 1 2051 . 7 2 2 B 17 17 ILE CA C 1104 66.150 61.935 4.215 1 1 2052 . 7 2 2 B 17 17 ILE CB C 1104 38.300 37.992 0.308 1 1 2056 . 7 2 2 B 17 17 ILE N N 1104 119.400 120.124 -0.724 1 1 2057 . 7 2 2 B 18 18 LYS H H 1105 7.950 8.987 -1.037 1 1 2058 . 7 2 2 B 18 18 LYS HA H 1105 3.900 4.009 -0.109 1 1 2067 . 7 2 2 B 18 18 LYS C C 1105 177.660 178.655 -0.995 1 1 2068 . 7 2 2 B 18 18 LYS CA C 1105 60.050 59.794 0.256 1 1 2069 . 7 2 2 B 18 18 LYS CB C 1105 32.700 32.035 0.665 1 1 2073 . 7 2 2 B 18 18 LYS N N 1105 120.280 123.497 -3.217 1 1 2074 . 7 2 2 B 19 19 VAL H H 1106 8.280 7.452 0.828 1 1 2075 . 7 2 2 B 19 19 VAL HA H 1106 3.430 3.750 -0.320 1 1 2083 . 7 2 2 B 19 19 VAL C C 1106 177.660 178.556 -0.896 1 1 2084 . 7 2 2 B 19 19 VAL CA C 1106 65.900 66.543 -0.643 1 1 2085 . 7 2 2 B 19 19 VAL CB C 1106 31.400 31.649 -0.249 1 1 2088 . 7 2 2 B 19 19 VAL N N 1106 120.660 119.450 1.210 1 1 2089 . 7 2 2 B 20 20 VAL H H 1107 8.420 8.251 0.169 1 1 2090 . 7 2 2 B 20 20 VAL HA H 1107 3.580 3.703 -0.123 1 1 2098 . 7 2 2 B 20 20 VAL C C 1107 178.930 178.192 0.738 1 1 2099 . 7 2 2 B 20 20 VAL CA C 1107 68.390 66.626 1.764 1 1 2100 . 7 2 2 B 20 20 VAL CB C 1107 31.200 31.545 -0.345 1 1 2103 . 7 2 2 B 20 20 VAL N N 1107 119.990 120.491 -0.501 1 1 2104 . 7 2 2 B 21 21 LYS H H 1108 8.300 8.283 0.017 1 1 2105 . 7 2 2 B 21 21 LYS HA H 1108 4.050 4.123 -0.073 1 1 2114 . 7 2 2 B 21 21 LYS C C 1108 177.230 179.031 -1.801 1 1 2115 . 7 2 2 B 21 21 LYS CA C 1108 59.980 59.842 0.138 1 1 2116 . 7 2 2 B 21 21 LYS CB C 1108 32.400 32.150 0.250 1 1 2120 . 7 2 2 B 21 21 LYS N N 1108 119.290 119.218 0.072 1 1 2121 . 7 2 2 B 22 22 ALA H H 1109 7.690 8.005 -0.315 1 1 2122 . 7 2 2 B 22 22 ALA HA H 1109 3.900 4.150 -0.250 1 1 2126 . 7 2 2 B 22 22 ALA C C 1109 178.200 179.706 -1.506 1 1 2127 . 7 2 2 B 22 22 ALA CA C 1109 54.950 55.029 -0.079 1 1 2128 . 7 2 2 B 22 22 ALA CB C 1109 22.000 18.531 3.469 1 1 2129 . 7 2 2 B 22 22 ALA N N 1109 123.910 122.171 1.739 1 1 2130 . 7 2 2 B 23 23 PHE H H 1110 7.920 8.354 -0.434 1 1 2131 . 7 2 2 B 23 23 PHE HA H 1110 4.120 4.257 -0.137 1 1 2139 . 7 2 2 B 23 23 PHE C C 1110 178.840 177.600 1.240 1 1 2140 . 7 2 2 B 23 23 PHE CA C 1110 61.260 60.653 0.607 1 1 2141 . 7 2 2 B 23 23 PHE CB C 1110 40.200 38.553 1.647 1 1 2147 . 7 2 2 B 23 23 PHE N N 1110 118.200 115.643 2.557 1 1 2148 . 7 2 2 B 24 24 HIS H H 1111 7.960 7.580 0.380 1 1 2149 . 7 2 2 B 24 24 HIS HA H 1111 4.530 4.668 -0.138 1 1 2155 . 7 2 2 B 24 24 HIS C C 1111 178.710 174.018 4.692 1 1 2156 . 7 2 2 B 24 24 HIS CA C 1111 57.200 56.094 1.106 1 1 2157 . 7 2 2 B 24 24 HIS CB C 1111 30.200 29.835 0.365 1 1 2160 . 7 2 2 B 24 24 HIS N N 1111 117.760 116.630 1.130 1 1 2162 . 7 2 2 B 25 25 SER H H 1112 7.980 7.803 0.177 1 1 2163 . 7 2 2 B 25 25 SER HA H 1112 4.340 3.978 0.362 1 1 2166 . 7 2 2 B 25 25 SER C C 1112 177.230 174.273 2.957 1 1 2167 . 7 2 2 B 25 25 SER CA C 1112 58.570 59.509 -0.939 1 1 2168 . 7 2 2 B 25 25 SER CB C 1112 63.800 61.675 2.125 1 1 2169 . 7 2 2 B 25 25 SER N N 1112 116.970 112.583 4.387 1 1 9 . 8 1 1 A 2 2 ASP H H 2 8.220 8.201 0.019 1 1 10 . 8 1 1 A 2 2 ASP HA H 2 4.500 4.386 0.114 1 1 13 . 8 1 1 A 2 2 ASP CA C 2 54.750 57.291 -2.541 1 1 14 . 8 1 1 A 2 2 ASP CB C 2 41.350 40.314 1.036 1 1 15 . 8 1 1 A 2 2 ASP N N 2 121.760 116.890 4.870 1 1 16 . 8 1 1 A 3 3 GLN H H 3 8.320 7.888 0.432 1 1 17 . 8 1 1 A 3 3 GLN HA H 3 4.240 4.708 -0.468 1 1 24 . 8 1 1 A 3 3 GLN CA C 3 55.750 54.645 1.105 1 1 25 . 8 1 1 A 3 3 GLN CB C 3 29.700 30.524 -0.824 1 1 27 . 8 1 1 A 3 3 GLN N N 3 119.800 116.600 3.200 1 1 29 . 8 1 1 A 4 4 LEU H H 4 8.250 8.556 -0.306 1 1 30 . 8 1 1 A 4 4 LEU HA H 4 4.540 4.393 0.147 1 1 40 . 8 1 1 A 4 4 LEU C C 4 175.740 176.164 -0.424 1 1 41 . 8 1 1 A 4 4 LEU CA C 4 54.600 55.462 -0.862 1 1 42 . 8 1 1 A 4 4 LEU CB C 4 43.600 45.117 -1.517 1 1 46 . 8 1 1 A 4 4 LEU N N 4 123.100 122.114 0.986 1 1 47 . 8 1 1 A 5 5 THR H H 5 8.680 7.378 1.302 1 1 48 . 8 1 1 A 5 5 THR HA H 5 4.350 4.337 0.013 1 1 53 . 8 1 1 A 5 5 THR C C 5 175.750 175.298 0.452 1 1 54 . 8 1 1 A 5 5 THR CA C 5 60.500 61.233 -0.733 1 1 55 . 8 1 1 A 5 5 THR CB C 5 71.100 70.212 0.888 1 1 57 . 8 1 1 A 5 5 THR N N 5 112.700 111.034 1.666 1 1 58 . 8 1 1 A 6 6 GLU H H 6 8.950 8.990 -0.040 1 1 59 . 8 1 1 A 6 6 GLU HA H 6 3.880 3.932 -0.052 1 1 64 . 8 1 1 A 6 6 GLU C C 6 177.790 178.434 -0.644 1 1 65 . 8 1 1 A 6 6 GLU CA C 6 60.200 60.052 0.148 1 1 66 . 8 1 1 A 6 6 GLU CB C 6 29.300 29.585 -0.285 1 1 68 . 8 1 1 A 6 6 GLU N N 6 119.950 123.203 -3.253 1 1 69 . 8 1 1 A 7 7 GLU H H 7 8.660 8.085 0.575 1 1 70 . 8 1 1 A 7 7 GLU HA H 7 3.940 4.013 -0.073 1 1 75 . 8 1 1 A 7 7 GLU C C 7 175.460 178.939 -3.479 1 1 76 . 8 1 1 A 7 7 GLU CA C 7 60.200 59.758 0.442 1 1 77 . 8 1 1 A 7 7 GLU CB C 7 29.100 29.371 -0.271 1 1 79 . 8 1 1 A 7 7 GLU N N 7 119.250 119.145 0.105 1 1 80 . 8 1 1 A 8 8 GLN H H 8 7.670 7.604 0.066 1 1 81 . 8 1 1 A 8 8 GLN HA H 8 3.760 4.185 -0.425 1 1 88 . 8 1 1 A 8 8 GLN C C 8 179.600 179.058 0.542 1 1 89 . 8 1 1 A 8 8 GLN CA C 8 58.800 58.651 0.149 1 1 90 . 8 1 1 A 8 8 GLN CB C 8 29.300 28.616 0.684 1 1 92 . 8 1 1 A 8 8 GLN N N 8 120.000 118.421 1.579 1 1 94 . 8 1 1 A 9 9 ILE H H 9 8.280 8.798 -0.518 1 1 95 . 8 1 1 A 9 9 ILE HA H 9 3.580 3.808 -0.228 1 1 105 . 8 1 1 A 9 9 ILE C C 9 179.270 177.975 1.295 1 1 106 . 8 1 1 A 9 9 ILE CA C 9 66.400 65.696 0.704 1 1 107 . 8 1 1 A 9 9 ILE CB C 9 38.100 37.971 0.129 1 1 111 . 8 1 1 A 9 9 ILE N N 9 119.400 121.461 -2.061 1 1 112 . 8 1 1 A 10 10 ALA H H 10 7.950 8.253 -0.303 1 1 113 . 8 1 1 A 10 10 ALA HA H 10 4.020 4.026 -0.006 1 1 117 . 8 1 1 A 10 10 ALA C C 10 178.490 179.201 -0.711 1 1 118 . 8 1 1 A 10 10 ALA CA C 10 55.400 55.909 -0.509 1 1 119 . 8 1 1 A 10 10 ALA CB C 10 17.950 18.243 -0.293 1 1 120 . 8 1 1 A 10 10 ALA N N 10 121.000 122.427 -1.427 1 1 121 . 8 1 1 A 11 11 GLU H H 11 7.730 8.182 -0.452 1 1 122 . 8 1 1 A 11 11 GLU HA H 11 4.030 4.058 -0.028 1 1 127 . 8 1 1 A 11 11 GLU C C 11 177.860 179.326 -1.466 1 1 128 . 8 1 1 A 11 11 GLU CA C 11 59.500 59.428 0.072 1 1 129 . 8 1 1 A 11 11 GLU CB C 11 29.500 29.505 -0.005 1 1 131 . 8 1 1 A 11 11 GLU N N 11 119.700 118.594 1.106 1 1 132 . 8 1 1 A 12 12 PHE H H 12 8.470 8.491 -0.021 1 1 133 . 8 1 1 A 12 12 PHE HA H 12 4.910 4.327 0.583 1 1 141 . 8 1 1 A 12 12 PHE C C 12 181.140 178.125 3.015 1 1 142 . 8 1 1 A 12 12 PHE CA C 12 59.200 61.433 -2.233 1 1 143 . 8 1 1 A 12 12 PHE CB C 12 37.700 38.638 -0.938 1 1 149 . 8 1 1 A 12 12 PHE N N 12 119.900 119.373 0.527 1 1 150 . 8 1 1 A 13 13 LYS H H 13 9.180 8.620 0.560 1 1 151 . 8 1 1 A 13 13 LYS HA H 13 3.860 3.867 -0.007 1 1 160 . 8 1 1 A 13 13 LYS C C 13 180.730 178.658 2.072 1 1 161 . 8 1 1 A 13 13 LYS CA C 13 60.300 59.991 0.309 1 1 162 . 8 1 1 A 13 13 LYS CB C 13 31.900 32.644 -0.744 1 1 166 . 8 1 1 A 13 13 LYS N N 13 124.000 120.407 3.593 1 1 167 . 8 1 1 A 14 14 GLU H H 14 7.770 8.031 -0.261 1 1 168 . 8 1 1 A 14 14 GLU HA H 14 4.050 4.043 0.007 1 1 173 . 8 1 1 A 14 14 GLU C C 14 178.750 178.984 -0.234 1 1 174 . 8 1 1 A 14 14 GLU CA C 14 59.300 59.470 -0.170 1 1 175 . 8 1 1 A 14 14 GLU CB C 14 29.300 29.333 -0.033 1 1 177 . 8 1 1 A 14 14 GLU N N 14 120.060 118.464 1.596 1 1 178 . 8 1 1 A 15 15 ALA H H 15 8.020 7.569 0.451 1 1 179 . 8 1 1 A 15 15 ALA HA H 15 4.110 4.130 -0.020 1 1 183 . 8 1 1 A 15 15 ALA C C 15 179.220 179.874 -0.654 1 1 184 . 8 1 1 A 15 15 ALA CA C 15 55.900 54.896 1.004 1 1 185 . 8 1 1 A 15 15 ALA CB C 15 18.430 18.004 0.426 1 1 186 . 8 1 1 A 15 15 ALA N N 15 121.660 122.453 -0.793 1 1 187 . 8 1 1 A 16 16 PHE H H 16 8.700 8.088 0.612 1 1 188 . 8 1 1 A 16 16 PHE HA H 16 3.190 3.636 -0.446 1 1 196 . 8 1 1 A 16 16 PHE C C 16 176.350 177.790 -1.440 1 1 197 . 8 1 1 A 16 16 PHE CA C 16 62.300 59.576 2.724 1 1 198 . 8 1 1 A 16 16 PHE CB C 16 39.800 37.783 2.017 1 1 204 . 8 1 1 A 16 16 PHE N N 16 118.400 116.449 1.951 1 1 205 . 8 1 1 A 17 17 SER H H 17 8.040 7.639 0.401 1 1 206 . 8 1 1 A 17 17 SER HA H 17 4.110 4.144 -0.034 1 1 209 . 8 1 1 A 17 17 SER C C 17 178.820 176.492 2.328 1 1 210 . 8 1 1 A 17 17 SER CA C 17 61.600 60.773 0.827 1 1 211 . 8 1 1 A 17 17 SER CB C 17 63.200 63.276 -0.076 1 1 212 . 8 1 1 A 17 17 SER N N 17 114.290 115.011 -0.721 1 1 213 . 8 1 1 A 18 18 LEU H H 18 7.440 7.289 0.151 1 1 214 . 8 1 1 A 18 18 LEU HA H 18 3.970 3.969 0.001 1 1 224 . 8 1 1 A 18 18 LEU C C 18 178.630 178.253 0.377 1 1 225 . 8 1 1 A 18 18 LEU CA C 18 56.800 57.464 -0.664 1 1 226 . 8 1 1 A 18 18 LEU CB C 18 42.600 41.712 0.888 1 1 230 . 8 1 1 A 18 18 LEU N N 18 118.200 121.350 -3.150 1 1 231 . 8 1 1 A 19 19 PHE H H 19 7.330 6.401 0.929 1 1 232 . 8 1 1 A 19 19 PHE HA H 19 3.950 4.656 -0.706 1 1 240 . 8 1 1 A 19 19 PHE C C 19 174.460 175.397 -0.937 1 1 241 . 8 1 1 A 19 19 PHE CA C 19 59.300 57.097 2.203 1 1 242 . 8 1 1 A 19 19 PHE CB C 19 41.800 39.747 2.053 1 1 248 . 8 1 1 A 19 19 PHE N N 19 114.900 112.944 1.956 1 1 249 . 8 1 1 A 20 20 ASP H H 20 7.780 6.935 0.845 1 1 250 . 8 1 1 A 20 20 ASP HA H 20 4.480 5.103 -0.623 1 1 253 . 8 1 1 A 20 20 ASP C C 20 176.700 175.891 0.809 1 1 254 . 8 1 1 A 20 20 ASP CA C 20 52.400 53.397 -0.997 1 1 255 . 8 1 1 A 20 20 ASP CB C 20 39.400 39.261 0.139 1 1 256 . 8 1 1 A 20 20 ASP N N 20 117.700 122.234 -4.534 1 1 257 . 8 1 1 A 21 21 LYS H H 21 7.480 8.177 -0.697 1 1 258 . 8 1 1 A 21 21 LYS HA H 21 3.840 3.950 -0.110 1 1 267 . 8 1 1 A 21 21 LYS C C 21 175.550 177.384 -1.834 1 1 268 . 8 1 1 A 21 21 LYS CA C 21 58.300 59.429 -1.129 1 1 269 . 8 1 1 A 21 21 LYS CB C 21 32.600 32.495 0.105 1 1 273 . 8 1 1 A 21 21 LYS N N 21 124.200 125.323 -1.123 1 1 274 . 8 1 1 A 22 22 ASP H H 22 7.910 7.965 -0.055 1 1 275 . 8 1 1 A 22 22 ASP HA H 22 4.460 4.640 -0.180 1 1 278 . 8 1 1 A 22 22 ASP C C 22 176.920 177.722 -0.802 1 1 279 . 8 1 1 A 22 22 ASP CA C 22 53.400 53.101 0.299 1 1 280 . 8 1 1 A 22 22 ASP CB C 22 39.800 39.776 0.024 1 1 281 . 8 1 1 A 22 22 ASP N N 22 113.500 115.268 -1.768 1 1 282 . 8 1 1 A 23 23 GLY H H 23 7.540 7.997 -0.457 1 1 283 . 8 1 1 A 23 23 GLY HA2 H 23 3.730 3.876 -0.146 1 1 284 . 8 1 1 A 23 23 GLY HA3 H 23 3.730 3.880 -0.150 1 1 285 . 8 1 1 A 23 23 GLY C C 23 178.030 175.152 2.878 1 1 286 . 8 1 1 A 23 23 GLY CA C 23 47.400 47.218 0.182 1 1 287 . 8 1 1 A 23 23 GLY N N 23 109.200 108.956 0.244 1 1 288 . 8 1 1 A 24 24 ASP H H 24 8.430 7.824 0.606 1 1 289 . 8 1 1 A 24 24 ASP HA H 24 4.410 4.587 -0.177 1 1 292 . 8 1 1 A 24 24 ASP C C 24 177.580 177.575 0.005 1 1 293 . 8 1 1 A 24 24 ASP CA C 24 53.770 53.580 0.190 1 1 294 . 8 1 1 A 24 24 ASP CB C 24 40.200 40.319 -0.119 1 1 295 . 8 1 1 A 24 24 ASP N N 24 120.700 120.568 0.132 1 1 296 . 8 1 1 A 25 25 GLY H H 25 10.370 9.528 0.842 1 1 297 . 8 1 1 A 25 25 GLY HA2 H 25 4.240 3.978 0.262 1 1 298 . 8 1 1 A 25 25 GLY HA3 H 25 3.610 3.998 -0.388 1 1 299 . 8 1 1 A 25 25 GLY C C 25 175.160 173.609 1.551 1 1 300 . 8 1 1 A 25 25 GLY CA C 25 45.300 45.506 -0.206 1 1 301 . 8 1 1 A 25 25 GLY N N 25 112.100 112.081 0.019 1 1 302 . 8 1 1 A 26 26 THR H H 26 8.060 8.189 -0.129 1 1 303 . 8 1 1 A 26 26 THR HA H 26 5.430 5.033 0.397 1 1 308 . 8 1 1 A 26 26 THR C C 26 177.260 173.330 3.930 1 1 309 . 8 1 1 A 26 26 THR CA C 26 59.500 58.812 0.688 1 1 310 . 8 1 1 A 26 26 THR CB C 26 72.800 73.243 -0.443 1 1 312 . 8 1 1 A 26 26 THR N N 26 110.950 109.685 1.265 1 1 313 . 8 1 1 A 27 27 ILE H H 27 9.890 8.586 1.304 1 1 314 . 8 1 1 A 27 27 ILE HA H 27 4.680 4.866 -0.186 1 1 324 . 8 1 1 A 27 27 ILE C C 27 173.810 175.679 -1.869 1 1 325 . 8 1 1 A 27 27 ILE CA C 27 61.250 60.733 0.517 1 1 326 . 8 1 1 A 27 27 ILE CB C 27 40.700 38.475 2.225 1 1 330 . 8 1 1 A 27 27 ILE N N 27 125.400 124.495 0.905 1 1 331 . 8 1 1 A 28 28 THR H H 28 8.290 8.892 -0.602 1 1 332 . 8 1 1 A 28 28 THR HA H 28 4.680 4.929 -0.249 1 1 337 . 8 1 1 A 28 28 THR C C 28 173.550 176.175 -2.625 1 1 338 . 8 1 1 A 28 28 THR CA C 28 59.200 59.547 -0.347 1 1 339 . 8 1 1 A 28 28 THR CB C 28 72.600 72.089 0.511 1 1 341 . 8 1 1 A 28 28 THR N N 28 116.000 117.853 -1.853 1 1 342 . 8 1 1 A 29 29 THR H H 29 9.180 8.873 0.307 1 1 343 . 8 1 1 A 29 29 THR HA H 29 3.570 3.893 -0.323 1 1 348 . 8 1 1 A 29 29 THR C C 29 176.080 176.365 -0.285 1 1 349 . 8 1 1 A 29 29 THR CA C 29 66.100 66.599 -0.499 1 1 350 . 8 1 1 A 29 29 THR CB C 29 67.650 68.274 -0.624 1 1 352 . 8 1 1 A 29 29 THR N N 29 111.440 114.929 -3.489 1 1 353 . 8 1 1 A 30 30 LYS H H 30 7.340 8.015 -0.675 1 1 354 . 8 1 1 A 30 30 LYS HA H 30 3.960 3.939 0.021 1 1 363 . 8 1 1 A 30 30 LYS C C 30 176.660 179.281 -2.621 1 1 364 . 8 1 1 A 30 30 LYS CA C 30 59.100 59.915 -0.815 1 1 365 . 8 1 1 A 30 30 LYS CB C 30 32.700 32.332 0.368 1 1 369 . 8 1 1 A 30 30 LYS N N 30 120.350 122.663 -2.313 1 1 370 . 8 1 1 A 31 31 GLU H H 31 7.760 8.292 -0.532 1 1 371 . 8 1 1 A 31 31 GLU HA H 31 4.000 4.132 -0.132 1 1 376 . 8 1 1 A 31 31 GLU C C 31 177.230 179.014 -1.784 1 1 377 . 8 1 1 A 31 31 GLU CA C 31 59.600 58.971 0.629 1 1 378 . 8 1 1 A 31 31 GLU CB C 31 29.600 28.800 0.800 1 1 380 . 8 1 1 A 31 31 GLU N N 31 122.300 118.134 4.166 1 1 381 . 8 1 1 A 32 32 LEU H H 32 8.370 8.227 0.143 1 1 382 . 8 1 1 A 32 32 LEU HA H 32 4.060 3.880 0.180 1 1 392 . 8 1 1 A 32 32 LEU C C 32 179.400 178.624 0.776 1 1 393 . 8 1 1 A 32 32 LEU CA C 32 57.550 57.917 -0.367 1 1 394 . 8 1 1 A 32 32 LEU CB C 32 41.700 41.954 -0.254 1 1 398 . 8 1 1 A 32 32 LEU N N 32 120.100 123.042 -2.942 1 1 399 . 8 1 1 A 33 33 GLY H H 33 8.650 8.019 0.631 1 1 400 . 8 1 1 A 33 33 GLY HA2 H 33 3.450 3.851 -0.401 1 1 401 . 8 1 1 A 33 33 GLY HA3 H 33 3.800 3.853 -0.053 1 1 402 . 8 1 1 A 33 33 GLY C C 33 179.640 176.254 3.386 1 1 403 . 8 1 1 A 33 33 GLY CA C 33 48.300 47.622 0.678 1 1 404 . 8 1 1 A 33 33 GLY N N 33 105.700 106.143 -0.443 1 1 405 . 8 1 1 A 34 34 THR H H 34 8.070 7.945 0.125 1 1 406 . 8 1 1 A 34 34 THR HA H 34 3.790 4.019 -0.229 1 1 411 . 8 1 1 A 34 34 THR C C 34 178.670 176.044 2.626 1 1 412 . 8 1 1 A 34 34 THR CA C 34 67.300 67.093 0.207 1 1 413 . 8 1 1 A 34 34 THR CB C 34 68.700 68.626 0.074 1 1 415 . 8 1 1 A 34 34 THR N N 34 118.140 118.886 -0.746 1 1 416 . 8 1 1 A 35 35 VAL H H 35 7.510 7.771 -0.261 1 1 417 . 8 1 1 A 35 35 VAL HA H 35 3.480 3.566 -0.086 1 1 425 . 8 1 1 A 35 35 VAL C C 35 175.050 177.647 -2.597 1 1 426 . 8 1 1 A 35 35 VAL CA C 35 66.500 66.777 -0.277 1 1 427 . 8 1 1 A 35 35 VAL CB C 35 31.400 31.357 0.043 1 1 430 . 8 1 1 A 35 35 VAL N N 35 121.400 121.938 -0.538 1 1 431 . 8 1 1 A 36 36 MET H H 36 8.530 7.981 0.549 1 1 432 . 8 1 1 A 36 36 MET HA H 36 3.590 4.110 -0.520 1 1 440 . 8 1 1 A 36 36 MET C C 36 177.410 177.866 -0.456 1 1 441 . 8 1 1 A 36 36 MET CA C 36 61.900 58.537 3.363 1 1 442 . 8 1 1 A 36 36 MET CB C 36 32.600 31.148 1.452 1 1 445 . 8 1 1 A 36 36 MET N N 36 118.970 117.961 1.009 1 1 446 . 8 1 1 A 37 37 ARG H H 37 8.600 8.317 0.283 1 1 447 . 8 1 1 A 37 37 ARG HA H 37 4.720 4.084 0.636 1 1 454 . 8 1 1 A 37 37 ARG C C 37 179.250 178.703 0.547 1 1 455 . 8 1 1 A 37 37 ARG CA C 37 59.450 59.343 0.107 1 1 456 . 8 1 1 A 37 37 ARG CB C 37 30.200 30.084 0.116 1 1 459 . 8 1 1 A 37 37 ARG N N 37 118.400 120.312 -1.912 1 1 460 . 8 1 1 A 38 38 SER H H 38 7.830 7.631 0.199 1 1 461 . 8 1 1 A 38 38 SER HA H 38 4.240 4.352 -0.112 1 1 464 . 8 1 1 A 38 38 SER C C 38 178.480 176.743 1.737 1 1 465 . 8 1 1 A 38 38 SER CA C 38 62.100 60.777 1.323 1 1 466 . 8 1 1 A 38 38 SER CB C 38 63.400 62.991 0.409 1 1 467 . 8 1 1 A 38 38 SER N N 38 119.400 114.370 5.030 1 1 468 . 8 1 1 A 39 39 LEU H H 39 7.280 8.293 -1.013 1 1 469 . 8 1 1 A 39 39 LEU HA H 39 4.360 4.384 -0.024 1 1 479 . 8 1 1 A 39 39 LEU C C 39 178.240 176.834 1.406 1 1 480 . 8 1 1 A 39 39 LEU CA C 39 54.300 55.673 -1.373 1 1 481 . 8 1 1 A 39 39 LEU CB C 39 42.100 42.490 -0.390 1 1 485 . 8 1 1 A 39 39 LEU N N 39 119.950 122.140 -2.190 1 1 486 . 8 1 1 A 40 40 GLY H H 40 7.740 8.263 -0.523 1 1 487 . 8 1 1 A 40 40 GLY HA2 H 40 4.140 3.900 0.240 1 1 488 . 8 1 1 A 40 40 GLY HA3 H 40 3.650 3.906 -0.256 1 1 489 . 8 1 1 A 40 40 GLY C C 40 176.140 173.847 2.293 1 1 490 . 8 1 1 A 40 40 GLY CA C 40 45.300 45.682 -0.382 1 1 491 . 8 1 1 A 40 40 GLY N N 40 105.750 107.395 -1.645 1 1 492 . 8 1 1 A 41 41 GLN H H 41 7.710 7.837 -0.127 1 1 493 . 8 1 1 A 41 41 GLN HA H 41 4.360 4.696 -0.336 1 1 500 . 8 1 1 A 41 41 GLN C C 41 176.700 175.079 1.621 1 1 501 . 8 1 1 A 41 41 GLN CA C 41 54.900 54.099 0.801 1 1 502 . 8 1 1 A 41 41 GLN CB C 41 29.600 30.888 -1.288 1 1 504 . 8 1 1 A 41 41 GLN N N 41 118.400 119.208 -0.808 1 1 506 . 8 1 1 A 42 42 ASN H H 42 8.640 8.958 -0.318 1 1 507 . 8 1 1 A 42 42 ASN HA H 42 5.150 5.359 -0.209 1 1 512 . 8 1 1 A 42 42 ASN CA C 42 51.200 50.164 1.036 1 1 513 . 8 1 1 A 42 42 ASN CB C 42 39.500 38.985 0.515 1 1 514 . 8 1 1 A 42 42 ASN N N 42 115.610 121.930 -6.320 1 1 516 . 8 1 1 A 43 43 PRO HA H 43 4.540 4.564 -0.024 1 1 523 . 8 1 1 A 43 43 PRO C C 43 179.440 176.886 2.554 1 1 524 . 8 1 1 A 43 43 PRO CA C 43 62.450 62.927 -0.477 1 1 525 . 8 1 1 A 43 43 PRO CB C 43 31.500 31.777 -0.277 1 1 528 . 8 1 1 A 44 44 THR H H 44 8.660 8.088 0.572 1 1 529 . 8 1 1 A 44 44 THR HA H 44 4.340 4.506 -0.166 1 1 534 . 8 1 1 A 44 44 THR CA C 44 60.450 60.479 -0.029 1 1 535 . 8 1 1 A 44 44 THR CB C 44 71.400 70.974 0.426 1 1 537 . 8 1 1 A 44 44 THR N N 44 112.600 112.984 -0.384 1 1 538 . 8 1 1 A 45 45 GLU H H 45 8.720 9.032 -0.312 1 1 539 . 8 1 1 A 45 45 GLU HA H 45 3.870 3.900 -0.030 1 1 544 . 8 1 1 A 45 45 GLU C C 45 174.270 178.176 -3.906 1 1 545 . 8 1 1 A 45 45 GLU CA C 45 59.900 59.833 0.067 1 1 546 . 8 1 1 A 45 45 GLU CB C 45 29.200 29.260 -0.060 1 1 548 . 8 1 1 A 45 45 GLU N N 45 120.150 122.167 -2.017 1 1 549 . 8 1 1 A 46 46 ALA H H 46 8.200 8.337 -0.137 1 1 550 . 8 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 8 1 1 A 46 46 ALA C C 46 175.180 180.020 -4.840 1 1 555 . 8 1 1 A 46 46 ALA CA C 46 55.100 54.880 0.220 1 1 556 . 8 1 1 A 46 46 ALA CB C 46 18.300 18.223 0.077 1 1 557 . 8 1 1 A 46 46 ALA N N 46 120.450 121.440 -0.990 1 1 558 . 8 1 1 A 47 47 GLU H H 47 7.630 7.866 -0.236 1 1 559 . 8 1 1 A 47 47 GLU HA H 47 3.890 4.130 -0.240 1 1 564 . 8 1 1 A 47 47 GLU C C 47 179.020 179.078 -0.058 1 1 565 . 8 1 1 A 47 47 GLU CA C 47 59.500 58.759 0.741 1 1 566 . 8 1 1 A 47 47 GLU CB C 47 29.600 29.391 0.209 1 1 568 . 8 1 1 A 47 47 GLU N N 47 118.320 118.478 -0.158 1 1 569 . 8 1 1 A 48 48 LEU H H 48 7.880 8.292 -0.412 1 1 570 . 8 1 1 A 48 48 LEU HA H 48 3.790 3.968 -0.178 1 1 580 . 8 1 1 A 48 48 LEU C C 48 180.200 179.375 0.825 1 1 581 . 8 1 1 A 48 48 LEU CA C 48 58.150 57.915 0.235 1 1 582 . 8 1 1 A 48 48 LEU CB C 48 42.800 41.612 1.188 1 1 586 . 8 1 1 A 48 48 LEU N N 48 119.000 120.261 -1.261 1 1 587 . 8 1 1 A 49 49 GLN H H 49 8.080 7.805 0.275 1 1 588 . 8 1 1 A 49 49 GLN HA H 49 3.630 4.043 -0.413 1 1 595 . 8 1 1 A 49 49 GLN C C 49 177.680 178.252 -0.572 1 1 596 . 8 1 1 A 49 49 GLN CA C 49 58.600 58.989 -0.389 1 1 597 . 8 1 1 A 49 49 GLN CB C 49 28.500 28.487 0.013 1 1 599 . 8 1 1 A 49 49 GLN N N 49 117.400 118.643 -1.243 1 1 601 . 8 1 1 A 50 50 ASP H H 50 7.960 8.161 -0.201 1 1 602 . 8 1 1 A 50 50 ASP HA H 50 4.300 4.372 -0.072 1 1 605 . 8 1 1 A 50 50 ASP C C 50 178.470 179.095 -0.625 1 1 606 . 8 1 1 A 50 50 ASP CA C 50 57.700 57.577 0.123 1 1 607 . 8 1 1 A 50 50 ASP CB C 50 40.600 40.632 -0.032 1 1 608 . 8 1 1 A 50 50 ASP N N 50 119.050 120.262 -1.212 1 1 609 . 8 1 1 A 51 51 MET H H 51 7.750 8.277 -0.527 1 1 610 . 8 1 1 A 51 51 MET HA H 51 4.000 4.159 -0.159 1 1 618 . 8 1 1 A 51 51 MET C C 51 178.170 178.753 -0.583 1 1 619 . 8 1 1 A 51 51 MET CA C 51 59.500 58.781 0.719 1 1 620 . 8 1 1 A 51 51 MET CB C 51 34.700 32.876 1.824 1 1 623 . 8 1 1 A 51 51 MET N N 51 117.900 118.448 -0.548 1 1 624 . 8 1 1 A 52 52 ILE H H 52 7.580 7.968 -0.388 1 1 625 . 8 1 1 A 52 52 ILE HA H 52 3.620 3.502 0.118 1 1 635 . 8 1 1 A 52 52 ILE C C 52 178.690 177.846 0.844 1 1 636 . 8 1 1 A 52 52 ILE CA C 52 63.600 65.351 -1.751 1 1 637 . 8 1 1 A 52 52 ILE CB C 52 36.700 37.855 -1.155 1 1 641 . 8 1 1 A 52 52 ILE N N 52 116.850 119.283 -2.433 1 1 642 . 8 1 1 A 53 53 ASN H H 53 8.570 8.428 0.142 1 1 643 . 8 1 1 A 53 53 ASN HA H 53 4.310 4.418 -0.108 1 1 648 . 8 1 1 A 53 53 ASN CA C 53 56.400 56.470 -0.070 1 1 649 . 8 1 1 A 53 53 ASN CB C 53 38.300 38.009 0.291 1 1 650 . 8 1 1 A 53 53 ASN N N 53 116.900 118.209 -1.309 1 1 652 . 8 1 1 A 54 54 GLU H H 54 7.520 7.863 -0.343 1 1 653 . 8 1 1 A 54 54 GLU HA H 54 3.950 4.099 -0.149 1 1 658 . 8 1 1 A 54 54 GLU C C 54 178.070 178.517 -0.447 1 1 659 . 8 1 1 A 54 54 GLU CA C 54 59.000 58.942 0.058 1 1 660 . 8 1 1 A 54 54 GLU CB C 54 29.800 29.565 0.235 1 1 662 . 8 1 1 A 54 54 GLU N N 54 115.650 119.449 -3.799 1 1 663 . 8 1 1 A 55 55 VAL H H 55 7.020 7.192 -0.172 1 1 664 . 8 1 1 A 55 55 VAL HA H 55 4.110 4.021 0.089 1 1 672 . 8 1 1 A 55 55 VAL C C 55 177.890 176.391 1.499 1 1 673 . 8 1 1 A 55 55 VAL CA C 55 61.210 64.379 -3.169 1 1 674 . 8 1 1 A 55 55 VAL CB C 55 33.100 32.127 0.973 1 1 677 . 8 1 1 A 55 55 VAL N N 55 111.500 119.379 -7.879 1 1 678 . 8 1 1 A 56 56 ASP H H 56 7.460 7.906 -0.446 1 1 679 . 8 1 1 A 56 56 ASP HA H 56 4.360 4.627 -0.267 1 1 682 . 8 1 1 A 56 56 ASP C C 56 177.620 176.704 0.916 1 1 683 . 8 1 1 A 56 56 ASP CA C 56 53.550 53.479 0.071 1 1 684 . 8 1 1 A 56 56 ASP CB C 56 40.600 40.165 0.435 1 1 685 . 8 1 1 A 56 56 ASP N N 56 121.330 121.772 -0.442 1 1 686 . 8 1 1 A 57 57 ALA H H 57 7.780 8.218 -0.438 1 1 687 . 8 1 1 A 57 57 ALA HA H 57 4.080 4.052 0.028 1 1 691 . 8 1 1 A 57 57 ALA C C 57 175.320 178.266 -2.946 1 1 692 . 8 1 1 A 57 57 ALA CA C 57 55.000 55.164 -0.164 1 1 693 . 8 1 1 A 57 57 ALA CB C 57 19.800 18.517 1.283 1 1 694 . 8 1 1 A 57 57 ALA N N 57 130.400 128.145 2.255 1 1 695 . 8 1 1 A 58 58 ASP H H 58 8.140 8.076 0.064 1 1 696 . 8 1 1 A 58 58 ASP HA H 58 4.540 4.583 -0.043 1 1 699 . 8 1 1 A 58 58 ASP C C 58 176.130 177.530 -1.400 1 1 700 . 8 1 1 A 58 58 ASP CA C 58 52.950 53.208 -0.258 1 1 701 . 8 1 1 A 58 58 ASP CB C 58 40.100 40.030 0.070 1 1 702 . 8 1 1 A 58 58 ASP N N 58 113.200 113.189 0.011 1 1 703 . 8 1 1 A 59 59 GLY H H 59 7.530 7.722 -0.192 1 1 704 . 8 1 1 A 59 59 GLY HA2 H 59 3.700 3.910 -0.210 1 1 705 . 8 1 1 A 59 59 GLY HA3 H 59 3.820 3.911 -0.091 1 1 706 . 8 1 1 A 59 59 GLY C C 59 178.830 175.283 3.547 1 1 707 . 8 1 1 A 59 59 GLY CA C 59 47.450 47.021 0.429 1 1 708 . 8 1 1 A 59 59 GLY N N 59 108.180 109.258 -1.078 1 1 709 . 8 1 1 A 60 60 ASN H H 60 8.080 8.629 -0.549 1 1 710 . 8 1 1 A 60 60 ASN HA H 60 4.500 4.686 -0.186 1 1 715 . 8 1 1 A 60 60 ASN CA C 60 52.900 52.590 0.310 1 1 716 . 8 1 1 A 60 60 ASN CB C 60 37.900 37.885 0.015 1 1 717 . 8 1 1 A 60 60 ASN N N 60 118.700 118.511 0.189 1 1 719 . 8 1 1 A 61 61 GLY H H 61 10.640 10.241 0.399 1 1 720 . 8 1 1 A 61 61 GLY HA2 H 61 3.370 3.888 -0.518 1 1 721 . 8 1 1 A 61 61 GLY HA3 H 61 4.190 3.892 0.298 1 1 722 . 8 1 1 A 61 61 GLY C C 61 174.970 173.447 1.523 1 1 723 . 8 1 1 A 61 61 GLY CA C 61 45.300 45.388 -0.088 1 1 724 . 8 1 1 A 61 61 GLY N N 61 113.400 111.852 1.548 1 1 725 . 8 1 1 A 62 62 THR H H 62 7.550 7.740 -0.190 1 1 726 . 8 1 1 A 62 62 THR HA H 62 4.620 4.958 -0.338 1 1 731 . 8 1 1 A 62 62 THR C C 62 176.870 172.486 4.384 1 1 732 . 8 1 1 A 62 62 THR CA C 62 59.550 59.768 -0.218 1 1 733 . 8 1 1 A 62 62 THR CB C 62 72.500 72.645 -0.145 1 1 735 . 8 1 1 A 62 62 THR N N 62 107.860 109.813 -1.953 1 1 736 . 8 1 1 A 63 63 ILE H H 63 8.790 8.405 0.385 1 1 737 . 8 1 1 A 63 63 ILE HA H 63 5.280 5.032 0.248 1 1 747 . 8 1 1 A 63 63 ILE C C 63 173.250 175.131 -1.881 1 1 748 . 8 1 1 A 63 63 ILE CA C 63 57.600 59.966 -2.366 1 1 749 . 8 1 1 A 63 63 ILE CB C 63 39.400 40.098 -0.698 1 1 753 . 8 1 1 A 63 63 ILE N N 63 123.900 121.010 2.890 1 1 754 . 8 1 1 A 64 64 ASP H H 64 8.720 8.990 -0.270 1 1 755 . 8 1 1 A 64 64 ASP HA H 64 5.350 5.070 0.280 1 1 758 . 8 1 1 A 64 64 ASP C C 64 172.850 177.995 -5.145 1 1 759 . 8 1 1 A 64 64 ASP CA C 64 52.100 52.747 -0.647 1 1 760 . 8 1 1 A 64 64 ASP CB C 64 42.150 43.059 -0.909 1 1 761 . 8 1 1 A 64 64 ASP N N 64 127.860 126.958 0.902 1 1 762 . 8 1 1 A 65 65 PHE H H 65 8.840 9.212 -0.372 1 1 763 . 8 1 1 A 65 65 PHE HA H 65 3.890 4.847 -0.957 1 1 771 . 8 1 1 A 65 65 PHE C C 65 175.750 174.768 0.982 1 1 772 . 8 1 1 A 65 65 PHE CA C 65 63.300 63.707 -0.407 1 1 773 . 8 1 1 A 65 65 PHE CB C 65 36.100 37.467 -1.367 1 1 779 . 8 1 1 A 65 65 PHE N N 65 117.500 122.961 -5.461 1 1 780 . 8 1 1 A 66 66 PRO HA H 66 3.770 4.351 -0.581 1 1 787 . 8 1 1 A 66 66 PRO C C 66 175.840 179.522 -3.682 1 1 788 . 8 1 1 A 66 66 PRO CA C 66 67.100 66.465 0.635 1 1 789 . 8 1 1 A 66 66 PRO CB C 66 30.700 30.907 -0.207 1 1 792 . 8 1 1 A 67 67 GLU H H 67 8.340 8.783 -0.443 1 1 793 . 8 1 1 A 67 67 GLU HA H 67 3.920 4.122 -0.202 1 1 798 . 8 1 1 A 67 67 GLU CA C 67 59.400 59.167 0.233 1 1 799 . 8 1 1 A 67 67 GLU CB C 67 29.650 29.223 0.427 1 1 801 . 8 1 1 A 67 67 GLU N N 67 117.850 118.084 -0.234 1 1 802 . 8 1 1 A 68 68 PHE H H 68 8.630 8.224 0.406 1 1 803 . 8 1 1 A 68 68 PHE HA H 68 3.670 4.172 -0.502 1 1 811 . 8 1 1 A 68 68 PHE C C 68 174.810 177.605 -2.795 1 1 812 . 8 1 1 A 68 68 PHE CA C 68 61.400 61.346 0.054 1 1 813 . 8 1 1 A 68 68 PHE CB C 68 40.700 39.327 1.373 1 1 819 . 8 1 1 A 68 68 PHE N N 68 123.200 123.378 -0.178 1 1 820 . 8 1 1 A 69 69 LEU H H 69 8.800 8.794 0.006 1 1 821 . 8 1 1 A 69 69 LEU HA H 69 3.130 3.950 -0.820 1 1 831 . 8 1 1 A 69 69 LEU C C 69 179.310 178.985 0.325 1 1 832 . 8 1 1 A 69 69 LEU CA C 69 58.000 58.216 -0.216 1 1 833 . 8 1 1 A 69 69 LEU CB C 69 41.550 41.759 -0.209 1 1 837 . 8 1 1 A 69 69 LEU N N 69 119.930 119.842 0.088 1 1 838 . 8 1 1 A 70 70 THR H H 70 7.550 7.632 -0.082 1 1 839 . 8 1 1 A 70 70 THR HA H 70 3.530 3.783 -0.253 1 1 844 . 8 1 1 A 70 70 THR C C 70 180.360 177.060 3.300 1 1 845 . 8 1 1 A 70 70 THR CA C 70 66.700 66.820 -0.120 1 1 846 . 8 1 1 A 70 70 THR CB C 70 68.500 68.323 0.177 1 1 848 . 8 1 1 A 70 70 THR N N 70 114.730 114.283 0.447 1 1 849 . 8 1 1 A 71 71 MET H H 71 7.000 8.476 -1.476 1 1 850 . 8 1 1 A 71 71 MET HA H 71 3.640 4.114 -0.474 1 1 858 . 8 1 1 A 71 71 MET C C 71 176.750 178.976 -2.226 1 1 859 . 8 1 1 A 71 71 MET CA C 71 58.800 58.432 0.368 1 1 860 . 8 1 1 A 71 71 MET CB C 71 32.000 32.288 -0.288 1 1 863 . 8 1 1 A 71 71 MET N N 71 119.750 118.924 0.826 1 1 864 . 8 1 1 A 72 72 MET H H 72 7.810 7.937 -0.127 1 1 865 . 8 1 1 A 72 72 MET HA H 72 3.880 4.205 -0.325 1 1 873 . 8 1 1 A 72 72 MET C C 72 174.850 178.283 -3.433 1 1 874 . 8 1 1 A 72 72 MET CA C 72 55.100 59.038 -3.938 1 1 875 . 8 1 1 A 72 72 MET CB C 72 28.900 32.885 -3.985 1 1 878 . 8 1 1 A 72 72 MET N N 72 115.300 118.187 -2.887 1 1 879 . 8 1 1 A 73 73 ALA H H 73 7.880 8.077 -0.197 1 1 880 . 8 1 1 A 73 73 ALA HA H 73 3.990 4.037 -0.047 1 1 884 . 8 1 1 A 73 73 ALA C C 73 177.940 178.826 -0.886 1 1 885 . 8 1 1 A 73 73 ALA CA C 73 53.900 55.118 -1.218 1 1 886 . 8 1 1 A 73 73 ALA CB C 73 18.600 18.238 0.362 1 1 887 . 8 1 1 A 73 73 ALA N N 73 120.000 121.110 -1.110 1 1 888 . 8 1 1 A 74 74 ARG H H 74 7.050 7.282 -0.232 1 1 889 . 8 1 1 A 74 74 ARG HA H 74 4.040 4.370 -0.330 1 1 896 . 8 1 1 A 74 74 ARG C C 74 178.910 176.811 2.099 1 1 897 . 8 1 1 A 74 74 ARG CA C 74 57.400 56.417 0.983 1 1 898 . 8 1 1 A 74 74 ARG CB C 74 30.900 30.594 0.306 1 1 901 . 8 1 1 A 74 74 ARG N N 74 115.850 115.601 0.249 1 1 902 . 8 1 1 A 75 75 LYS H H 75 7.820 7.735 0.085 1 1 903 . 8 1 1 A 75 75 LYS HA H 75 4.200 4.316 -0.116 1 1 912 . 8 1 1 A 75 75 LYS C C 75 178.770 176.603 2.167 1 1 913 . 8 1 1 A 75 75 LYS CA C 75 55.900 55.283 0.617 1 1 914 . 8 1 1 A 75 75 LYS CB C 75 32.600 30.912 1.688 1 1 918 . 8 1 1 A 75 75 LYS N N 75 119.600 120.981 -1.381 1 1 919 . 8 1 1 A 76 76 MET H H 76 8.100 8.226 -0.126 1 1 920 . 8 1 1 A 76 76 MET HA H 76 4.300 4.863 -0.563 1 1 928 . 8 1 1 A 76 76 MET C C 76 176.990 175.912 1.078 1 1 929 . 8 1 1 A 76 76 MET CA C 76 55.800 54.045 1.755 1 1 930 . 8 1 1 A 76 76 MET CB C 76 33.800 32.815 0.985 1 1 933 . 8 1 1 A 76 76 MET N N 76 122.300 125.029 -2.729 1 1 934 . 8 1 1 A 77 77 LYS H H 77 8.150 7.555 0.595 1 1 935 . 8 1 1 A 77 77 LYS HA H 77 4.210 4.117 0.093 1 1 944 . 8 1 1 A 77 77 LYS C C 77 176.890 175.622 1.268 1 1 945 . 8 1 1 A 77 77 LYS CA C 77 56.100 56.907 -0.807 1 1 946 . 8 1 1 A 77 77 LYS CB C 77 33.000 32.877 0.123 1 1 950 . 8 1 1 A 77 77 LYS N N 77 121.300 122.513 -1.213 1 1 951 . 8 1 1 A 78 78 ASP H H 78 8.240 8.639 -0.399 1 1 952 . 8 1 1 A 78 78 ASP HA H 78 4.500 5.509 -1.009 1 1 955 . 8 1 1 A 78 78 ASP C C 78 176.090 175.829 0.261 1 1 956 . 8 1 1 A 78 78 ASP CA C 78 54.700 52.648 2.052 1 1 957 . 8 1 1 A 78 78 ASP CB C 78 41.300 43.514 -2.214 1 1 958 . 8 1 1 A 78 78 ASP N N 78 122.200 125.387 -3.187 1 1 959 . 8 1 1 A 79 79 THR H H 79 8.150 8.873 -0.723 1 1 960 . 8 1 1 A 79 79 THR HA H 79 4.220 4.999 -0.779 1 1 965 . 8 1 1 A 79 79 THR C C 79 176.240 173.403 2.837 1 1 966 . 8 1 1 A 79 79 THR CA C 79 61.500 59.956 1.544 1 1 967 . 8 1 1 A 79 79 THR CB C 79 70.300 72.000 -1.700 1 1 969 . 8 1 1 A 79 79 THR N N 79 114.940 113.505 1.435 1 1 970 . 8 1 1 A 80 80 ASP H H 80 8.480 8.743 -0.263 1 1 971 . 8 1 1 A 80 80 ASP HA H 80 4.600 4.628 -0.028 1 1 974 . 8 1 1 A 80 80 ASP C C 80 176.230 177.087 -0.857 1 1 975 . 8 1 1 A 80 80 ASP CA C 80 54.100 55.101 -1.001 1 1 976 . 8 1 1 A 80 80 ASP CB C 80 41.600 40.714 0.886 1 1 977 . 8 1 1 A 80 80 ASP N N 80 123.800 124.353 -0.553 1 1 978 . 8 1 1 A 81 81 SER H H 81 8.500 8.980 -0.480 1 1 979 . 8 1 1 A 81 81 SER HA H 81 4.220 4.097 0.123 1 1 982 . 8 1 1 A 81 81 SER C C 81 173.900 176.226 -2.326 1 1 983 . 8 1 1 A 81 81 SER CA C 81 60.400 61.709 -1.309 1 1 984 . 8 1 1 A 81 81 SER CB C 81 63.700 62.700 1.000 1 1 985 . 8 1 1 A 81 81 SER N N 81 118.450 120.159 -1.709 1 1 986 . 8 1 1 A 82 82 GLU H H 82 8.430 7.942 0.488 1 1 987 . 8 1 1 A 82 82 GLU HA H 82 4.010 4.118 -0.108 1 1 992 . 8 1 1 A 82 82 GLU C C 82 176.370 178.791 -2.421 1 1 993 . 8 1 1 A 82 82 GLU CA C 82 59.100 58.930 0.170 1 1 994 . 8 1 1 A 82 82 GLU CB C 82 29.600 29.476 0.124 1 1 996 . 8 1 1 A 82 82 GLU N N 82 121.850 121.620 0.230 1 1 997 . 8 1 1 A 83 83 GLU H H 83 8.020 9.066 -1.046 1 1 998 . 8 1 1 A 83 83 GLU HA H 83 4.040 4.046 -0.006 1 1 1003 . 8 1 1 A 83 83 GLU C C 83 175.890 178.475 -2.585 1 1 1004 . 8 1 1 A 83 83 GLU CA C 83 58.800 59.567 -0.767 1 1 1005 . 8 1 1 A 83 83 GLU CB C 83 29.400 29.077 0.323 1 1 1007 . 8 1 1 A 83 83 GLU N N 83 119.470 119.724 -0.254 1 1 1008 . 8 1 1 A 84 84 GLU H H 84 7.930 8.207 -0.277 1 1 1009 . 8 1 1 A 84 84 GLU HA H 84 4.150 4.205 -0.055 1 1 1014 . 8 1 1 A 84 84 GLU C C 84 176.160 178.662 -2.502 1 1 1015 . 8 1 1 A 84 84 GLU CA C 84 59.400 57.684 1.716 1 1 1016 . 8 1 1 A 84 84 GLU CB C 84 29.600 30.306 -0.706 1 1 1018 . 8 1 1 A 84 84 GLU N N 84 118.310 117.275 1.035 1 1 1019 . 8 1 1 A 85 85 ILE H H 85 7.880 8.044 -0.164 1 1 1020 . 8 1 1 A 85 85 ILE HA H 85 3.880 3.688 0.192 1 1 1030 . 8 1 1 A 85 85 ILE C C 85 179.870 177.517 2.353 1 1 1031 . 8 1 1 A 85 85 ILE CA C 85 65.400 64.999 0.401 1 1 1032 . 8 1 1 A 85 85 ILE CB C 85 37.400 37.664 -0.264 1 1 1036 . 8 1 1 A 85 85 ILE N N 85 120.900 121.482 -0.582 1 1 1037 . 8 1 1 A 86 86 ARG H H 86 7.990 7.819 0.171 1 1 1038 . 8 1 1 A 86 86 ARG HA H 86 4.030 4.020 0.010 1 1 1045 . 8 1 1 A 86 86 ARG C C 86 180.520 179.265 1.255 1 1 1046 . 8 1 1 A 86 86 ARG CA C 86 60.200 60.064 0.136 1 1 1047 . 8 1 1 A 86 86 ARG CB C 86 29.800 29.828 -0.028 1 1 1050 . 8 1 1 A 86 86 ARG N N 86 121.000 119.528 1.472 1 1 1051 . 8 1 1 A 87 87 GLU H H 87 8.350 8.535 -0.185 1 1 1052 . 8 1 1 A 87 87 GLU HA H 87 3.900 4.083 -0.183 1 1 1057 . 8 1 1 A 87 87 GLU C C 87 177.380 179.478 -2.098 1 1 1058 . 8 1 1 A 87 87 GLU CA C 87 59.600 59.434 0.166 1 1 1059 . 8 1 1 A 87 87 GLU CB C 87 29.500 29.837 -0.337 1 1 1061 . 8 1 1 A 87 87 GLU N N 87 117.860 119.693 -1.833 1 1 1062 . 8 1 1 A 88 88 ALA H H 88 7.880 7.697 0.183 1 1 1063 . 8 1 1 A 88 88 ALA HA H 88 4.060 4.258 -0.198 1 1 1067 . 8 1 1 A 88 88 ALA C C 88 178.580 179.733 -1.153 1 1 1068 . 8 1 1 A 88 88 ALA CA C 88 55.200 54.917 0.283 1 1 1069 . 8 1 1 A 88 88 ALA CB C 88 17.900 18.293 -0.393 1 1 1070 . 8 1 1 A 88 88 ALA N N 88 120.100 122.635 -2.535 1 1 1071 . 8 1 1 A 89 89 PHE H H 89 8.550 7.834 0.716 1 1 1072 . 8 1 1 A 89 89 PHE HA H 89 4.000 3.678 0.322 1 1 1080 . 8 1 1 A 89 89 PHE C C 89 179.770 177.677 2.093 1 1 1081 . 8 1 1 A 89 89 PHE CA C 89 61.800 61.338 0.462 1 1 1082 . 8 1 1 A 89 89 PHE CB C 89 39.130 39.068 0.062 1 1 1088 . 8 1 1 A 89 89 PHE N N 89 118.760 119.355 -0.595 1 1 1089 . 8 1 1 A 90 90 ARG H H 90 7.750 7.826 -0.076 1 1 1090 . 8 1 1 A 90 90 ARG HA H 90 3.760 3.953 -0.193 1 1 1097 . 8 1 1 A 90 90 ARG C C 90 179.090 179.025 0.065 1 1 1098 . 8 1 1 A 90 90 ARG CA C 90 58.800 59.476 -0.676 1 1 1099 . 8 1 1 A 90 90 ARG CB C 90 30.500 29.931 0.569 1 1 1102 . 8 1 1 A 90 90 ARG N N 90 115.100 117.765 -2.665 1 1 1103 . 8 1 1 A 91 91 VAL H H 91 7.270 7.588 -0.318 1 1 1104 . 8 1 1 A 91 91 VAL HA H 91 3.360 3.576 -0.216 1 1 1112 . 8 1 1 A 91 91 VAL C C 91 179.060 177.736 1.324 1 1 1113 . 8 1 1 A 91 91 VAL CA C 91 66.050 66.459 -0.409 1 1 1114 . 8 1 1 A 91 91 VAL CB C 91 31.200 31.694 -0.494 1 1 1117 . 8 1 1 A 91 91 VAL N N 91 117.450 120.683 -3.233 1 1 1118 . 8 1 1 A 92 92 PHE H H 92 7.000 7.766 -0.766 1 1 1119 . 8 1 1 A 92 92 PHE HA H 92 4.070 4.137 -0.067 1 1 1127 . 8 1 1 A 92 92 PHE C C 92 177.490 176.292 1.198 1 1 1128 . 8 1 1 A 92 92 PHE CA C 92 60.700 59.816 0.884 1 1 1129 . 8 1 1 A 92 92 PHE CB C 92 38.000 39.473 -1.473 1 1 1135 . 8 1 1 A 92 92 PHE N N 92 114.400 118.335 -3.935 1 1 1136 . 8 1 1 A 93 93 ASP H H 93 7.870 8.229 -0.359 1 1 1137 . 8 1 1 A 93 93 ASP HA H 93 4.450 4.462 -0.012 1 1 1140 . 8 1 1 A 93 93 ASP C C 93 176.830 176.254 0.576 1 1 1141 . 8 1 1 A 93 93 ASP CA C 93 52.300 52.511 -0.211 1 1 1142 . 8 1 1 A 93 93 ASP CB C 93 38.800 39.541 -0.741 1 1 1143 . 8 1 1 A 93 93 ASP N N 93 115.100 117.147 -2.047 1 1 1144 . 8 1 1 A 94 94 LYS H H 94 7.510 8.203 -0.693 1 1 1145 . 8 1 1 A 94 94 LYS HA H 94 3.770 3.777 -0.007 1 1 1154 . 8 1 1 A 94 94 LYS C C 94 176.650 177.617 -0.967 1 1 1155 . 8 1 1 A 94 94 LYS CA C 94 59.400 60.007 -0.607 1 1 1156 . 8 1 1 A 94 94 LYS CB C 94 32.800 32.074 0.726 1 1 1160 . 8 1 1 A 94 94 LYS N N 94 124.250 126.434 -2.184 1 1 1161 . 8 1 1 A 95 95 ASP H H 95 8.190 7.487 0.703 1 1 1162 . 8 1 1 A 95 95 ASP HA H 95 4.430 4.611 -0.181 1 1 1165 . 8 1 1 A 95 95 ASP C C 95 177.580 177.612 -0.032 1 1 1166 . 8 1 1 A 95 95 ASP CA C 95 53.600 53.187 0.413 1 1 1167 . 8 1 1 A 95 95 ASP CB C 95 39.900 39.965 -0.065 1 1 1168 . 8 1 1 A 95 95 ASP N N 95 113.600 115.006 -1.406 1 1 1169 . 8 1 1 A 96 96 GLY H H 96 7.770 7.975 -0.205 1 1 1170 . 8 1 1 A 96 96 GLY HA2 H 96 3.750 3.933 -0.183 1 1 1171 . 8 1 1 A 96 96 GLY HA3 H 96 3.750 3.951 -0.201 1 1 1172 . 8 1 1 A 96 96 GLY C C 96 178.400 175.525 2.875 1 1 1173 . 8 1 1 A 96 96 GLY CA C 96 47.100 47.033 0.067 1 1 1174 . 8 1 1 A 96 96 GLY N N 96 108.900 109.139 -0.239 1 1 1175 . 8 1 1 A 97 97 ASN H H 97 8.270 8.077 0.193 1 1 1176 . 8 1 1 A 97 97 ASN HA H 97 4.520 4.776 -0.256 1 1 1181 . 8 1 1 A 97 97 ASN CA C 97 52.900 52.334 0.566 1 1 1182 . 8 1 1 A 97 97 ASN CB C 97 38.100 38.160 -0.060 1 1 1183 . 8 1 1 A 97 97 ASN N N 97 119.460 118.947 0.513 1 1 1185 . 8 1 1 A 98 98 GLY H H 98 10.660 9.809 0.851 1 1 1186 . 8 1 1 A 98 98 GLY HA2 H 98 3.330 3.984 -0.654 1 1 1187 . 8 1 1 A 98 98 GLY HA3 H 98 3.960 4.065 -0.105 1 1 1188 . 8 1 1 A 98 98 GLY C C 98 178.360 173.152 5.208 1 1 1189 . 8 1 1 A 98 98 GLY CA C 98 45.800 45.615 0.185 1 1 1190 . 8 1 1 A 98 98 GLY N N 98 112.700 111.560 1.140 1 1 1191 . 8 1 1 A 99 99 TYR H H 99 7.570 8.133 -0.563 1 1 1192 . 8 1 1 A 99 99 TYR HA H 99 4.850 5.322 -0.472 1 1 1199 . 8 1 1 A 99 99 TYR C C 99 176.090 175.157 0.933 1 1 1200 . 8 1 1 A 99 99 TYR CA C 99 56.250 56.146 0.104 1 1 1201 . 8 1 1 A 99 99 TYR CB C 99 42.700 43.032 -0.332 1 1 1206 . 8 1 1 A 99 99 TYR N N 99 115.850 117.548 -1.698 1 1 1207 . 8 1 1 A 100 100 ILE H H 100 10.120 9.347 0.773 1 1 1208 . 8 1 1 A 100 100 ILE HA H 100 4.600 4.844 -0.244 1 1 1218 . 8 1 1 A 100 100 ILE C C 100 172.730 175.205 -2.475 1 1 1219 . 8 1 1 A 100 100 ILE CA C 100 61.500 60.442 1.058 1 1 1220 . 8 1 1 A 100 100 ILE CB C 100 39.300 39.148 0.152 1 1 1224 . 8 1 1 A 100 100 ILE N N 100 127.260 125.129 2.131 1 1 1225 . 8 1 1 A 101 101 SER H H 101 9.010 9.391 -0.381 1 1 1226 . 8 1 1 A 101 101 SER HA H 101 4.820 4.838 -0.018 1 1 1229 . 8 1 1 A 101 101 SER C C 101 174.660 175.762 -1.102 1 1 1230 . 8 1 1 A 101 101 SER CA C 101 55.900 57.289 -1.389 1 1 1231 . 8 1 1 A 101 101 SER CB C 101 67.000 64.801 2.199 1 1 1232 . 8 1 1 A 101 101 SER N N 101 123.850 122.568 1.282 1 1 1233 . 8 1 1 A 102 102 ALA H H 102 9.240 9.042 0.198 1 1 1234 . 8 1 1 A 102 102 ALA HA H 102 3.830 4.054 -0.224 1 1 1238 . 8 1 1 A 102 102 ALA C C 102 175.840 179.884 -4.044 1 1 1239 . 8 1 1 A 102 102 ALA CA C 102 56.170 55.798 0.372 1 1 1240 . 8 1 1 A 102 102 ALA CB C 102 18.200 17.986 0.214 1 1 1241 . 8 1 1 A 102 102 ALA N N 102 122.650 130.242 -7.592 1 1 1242 . 8 1 1 A 103 103 ALA H H 103 8.180 8.184 -0.004 1 1 1243 . 8 1 1 A 103 103 ALA HA H 103 3.980 3.978 0.002 1 1 1247 . 8 1 1 A 103 103 ALA C C 103 175.260 180.326 -5.066 1 1 1248 . 8 1 1 A 103 103 ALA CA C 103 55.200 55.222 -0.022 1 1 1249 . 8 1 1 A 103 103 ALA CB C 103 18.500 18.690 -0.190 1 1 1250 . 8 1 1 A 103 103 ALA N N 103 118.250 119.417 -1.167 1 1 1251 . 8 1 1 A 104 104 GLU H H 104 7.860 7.932 -0.072 1 1 1252 . 8 1 1 A 104 104 GLU HA H 104 3.890 3.933 -0.043 1 1 1257 . 8 1 1 A 104 104 GLU C C 104 179.350 179.083 0.267 1 1 1258 . 8 1 1 A 104 104 GLU CA C 104 59.800 59.504 0.296 1 1 1259 . 8 1 1 A 104 104 GLU CB C 104 29.500 29.590 -0.090 1 1 1261 . 8 1 1 A 104 104 GLU N N 104 120.200 117.981 2.219 1 1 1262 . 8 1 1 A 105 105 LEU H H 105 8.500 7.991 0.509 1 1 1263 . 8 1 1 A 105 105 LEU HA H 105 3.960 3.999 -0.039 1 1 1273 . 8 1 1 A 105 105 LEU C C 105 179.190 178.570 0.620 1 1 1274 . 8 1 1 A 105 105 LEU CA C 105 58.400 57.902 0.498 1 1 1275 . 8 1 1 A 105 105 LEU CB C 105 42.600 41.634 0.966 1 1 1279 . 8 1 1 A 105 105 LEU N N 105 120.100 121.146 -1.046 1 1 1280 . 8 1 1 A 106 106 ARG H H 106 8.490 8.327 0.163 1 1 1281 . 8 1 1 A 106 106 ARG HA H 106 3.550 3.928 -0.378 1 1 1288 . 8 1 1 A 106 106 ARG C C 106 175.240 178.396 -3.156 1 1 1289 . 8 1 1 A 106 106 ARG CA C 106 60.300 59.367 0.933 1 1 1290 . 8 1 1 A 106 106 ARG CB C 106 30.400 29.849 0.551 1 1 1293 . 8 1 1 A 106 106 ARG N N 106 117.300 120.087 -2.787 1 1 1294 . 8 1 1 A 107 107 HIS H H 107 7.870 8.002 -0.132 1 1 1295 . 8 1 1 A 107 107 HIS HA H 107 4.120 4.156 -0.036 1 1 1300 . 8 1 1 A 107 107 HIS C C 107 176.690 177.200 -0.510 1 1 1301 . 8 1 1 A 107 107 HIS CA C 107 60.300 59.317 0.983 1 1 1302 . 8 1 1 A 107 107 HIS CB C 107 31.100 29.595 1.505 1 1 1304 . 8 1 1 A 107 107 HIS N N 107 120.000 119.504 0.496 1 1 1306 . 8 1 1 A 108 108 VAL H H 108 8.190 8.662 -0.472 1 1 1307 . 8 1 1 A 108 108 VAL HA H 108 3.400 3.411 -0.011 1 1 1315 . 8 1 1 A 108 108 VAL C C 108 178.430 177.836 0.594 1 1 1316 . 8 1 1 A 108 108 VAL CA C 108 66.500 66.436 0.064 1 1 1317 . 8 1 1 A 108 108 VAL CB C 108 31.800 31.083 0.717 1 1 1320 . 8 1 1 A 108 108 VAL N N 108 118.980 119.559 -0.579 1 1 1321 . 8 1 1 A 109 109 MET H H 109 8.180 7.752 0.428 1 1 1322 . 8 1 1 A 109 109 MET HA H 109 4.220 4.051 0.169 1 1 1330 . 8 1 1 A 109 109 MET C C 109 179.690 178.222 1.468 1 1 1331 . 8 1 1 A 109 109 MET CA C 109 57.300 58.745 -1.445 1 1 1332 . 8 1 1 A 109 109 MET CB C 109 29.700 32.379 -2.679 1 1 1335 . 8 1 1 A 109 109 MET N N 109 114.980 117.547 -2.567 1 1 1336 . 8 1 1 A 110 110 THR H H 110 8.220 8.191 0.029 1 1 1337 . 8 1 1 A 110 110 THR HA H 110 4.000 3.948 0.052 1 1 1342 . 8 1 1 A 110 110 THR C C 110 176.410 177.166 -0.756 1 1 1343 . 8 1 1 A 110 110 THR CA C 110 67.100 65.880 1.220 1 1 1344 . 8 1 1 A 110 110 THR CB C 110 68.500 68.164 0.336 1 1 1346 . 8 1 1 A 110 110 THR N N 110 116.970 113.075 3.895 1 1 1347 . 8 1 1 A 111 111 ASN H H 111 7.780 7.605 0.175 1 1 1348 . 8 1 1 A 111 111 ASN HA H 111 4.320 4.489 -0.169 1 1 1353 . 8 1 1 A 111 111 ASN CA C 111 55.800 56.091 -0.291 1 1 1354 . 8 1 1 A 111 111 ASN CB C 111 38.200 37.951 0.249 1 1 1355 . 8 1 1 A 111 111 ASN N N 111 122.350 121.212 1.138 1 1 1357 . 8 1 1 A 112 112 LEU H H 112 7.480 7.442 0.038 1 1 1358 . 8 1 1 A 112 112 LEU HA H 112 4.210 4.264 -0.054 1 1 1368 . 8 1 1 A 112 112 LEU C C 112 178.710 177.020 1.690 1 1 1369 . 8 1 1 A 112 112 LEU CA C 112 55.100 55.268 -0.168 1 1 1370 . 8 1 1 A 112 112 LEU CB C 112 42.500 42.507 -0.007 1 1 1374 . 8 1 1 A 112 112 LEU N N 112 118.300 117.125 1.175 1 1 1375 . 8 1 1 A 113 113 GLY H H 113 7.740 7.929 -0.189 1 1 1376 . 8 1 1 A 113 113 GLY HA2 H 113 3.580 3.925 -0.345 1 1 1377 . 8 1 1 A 113 113 GLY HA3 H 113 4.140 3.935 0.205 1 1 1378 . 8 1 1 A 113 113 GLY C C 113 176.830 174.806 2.024 1 1 1379 . 8 1 1 A 113 113 GLY CA C 113 45.370 46.441 -1.071 1 1 1380 . 8 1 1 A 113 113 GLY N N 113 106.500 108.223 -1.723 1 1 1381 . 8 1 1 A 114 114 GLU H H 114 7.780 7.894 -0.114 1 1 1382 . 8 1 1 A 114 114 GLU HA H 114 4.240 4.219 0.021 1 1 1387 . 8 1 1 A 114 114 GLU C C 114 176.790 176.082 0.708 1 1 1388 . 8 1 1 A 114 114 GLU CA C 114 54.800 58.068 -3.268 1 1 1389 . 8 1 1 A 114 114 GLU CB C 114 29.900 30.129 -0.229 1 1 1391 . 8 1 1 A 114 114 GLU N N 114 119.300 121.381 -2.081 1 1 1392 . 8 1 1 A 115 115 LYS H H 115 8.540 7.837 0.703 1 1 1393 . 8 1 1 A 115 115 LYS HA H 115 4.270 3.776 0.494 1 1 1402 . 8 1 1 A 115 115 LYS C C 115 174.300 175.687 -1.387 1 1 1403 . 8 1 1 A 115 115 LYS CA C 115 55.500 57.074 -1.574 1 1 1404 . 8 1 1 A 115 115 LYS CB C 115 31.900 30.409 1.491 1 1 1408 . 8 1 1 A 115 115 LYS N N 115 125.000 118.323 6.677 1 1 1409 . 8 1 1 A 116 116 LEU H H 116 8.000 7.949 0.051 1 1 1410 . 8 1 1 A 116 116 LEU HA H 116 4.630 4.335 0.295 1 1 1420 . 8 1 1 A 116 116 LEU C C 116 175.060 177.884 -2.824 1 1 1421 . 8 1 1 A 116 116 LEU CA C 116 54.100 54.745 -0.645 1 1 1422 . 8 1 1 A 116 116 LEU CB C 116 44.100 42.587 1.513 1 1 1426 . 8 1 1 A 116 116 LEU N N 116 123.620 120.322 3.298 1 1 1427 . 8 1 1 A 117 117 THR H H 117 9.140 8.528 0.612 1 1 1428 . 8 1 1 A 117 117 THR HA H 117 4.340 4.639 -0.299 1 1 1433 . 8 1 1 A 117 117 THR C C 117 175.610 175.269 0.341 1 1 1434 . 8 1 1 A 117 117 THR CA C 117 60.500 60.643 -0.143 1 1 1435 . 8 1 1 A 117 117 THR CB C 117 71.100 71.390 -0.290 1 1 1437 . 8 1 1 A 117 117 THR N N 117 114.240 115.026 -0.786 1 1 1438 . 8 1 1 A 118 118 ASP H H 118 8.820 8.928 -0.108 1 1 1439 . 8 1 1 A 118 118 ASP HA H 118 4.100 4.231 -0.131 1 1 1442 . 8 1 1 A 118 118 ASP C C 118 178.610 177.923 0.687 1 1 1443 . 8 1 1 A 118 118 ASP CA C 118 58.000 58.047 -0.047 1 1 1444 . 8 1 1 A 118 118 ASP CB C 118 39.700 41.212 -1.512 1 1 1445 . 8 1 1 A 118 118 ASP N N 118 120.660 121.806 -1.146 1 1 1446 . 8 1 1 A 119 119 GLU H H 119 8.450 8.199 0.251 1 1 1447 . 8 1 1 A 119 119 GLU HA H 119 3.960 3.990 -0.030 1 1 1452 . 8 1 1 A 119 119 GLU C C 119 175.620 179.275 -3.655 1 1 1453 . 8 1 1 A 119 119 GLU CA C 119 59.800 59.722 0.078 1 1 1454 . 8 1 1 A 119 119 GLU CB C 119 29.400 29.246 0.154 1 1 1456 . 8 1 1 A 119 119 GLU N N 119 118.790 118.676 0.114 1 1 1457 . 8 1 1 A 120 120 GLU H H 120 7.570 7.454 0.116 1 1 1458 . 8 1 1 A 120 120 GLU HA H 120 3.950 4.178 -0.228 1 1 1463 . 8 1 1 A 120 120 GLU C C 120 178.630 178.958 -0.328 1 1 1464 . 8 1 1 A 120 120 GLU CA C 120 59.600 58.422 1.178 1 1 1465 . 8 1 1 A 120 120 GLU CB C 120 29.400 29.035 0.365 1 1 1467 . 8 1 1 A 120 120 GLU N N 120 120.120 119.591 0.529 1 1 1468 . 8 1 1 A 121 121 VAL H H 121 7.750 8.120 -0.370 1 1 1469 . 8 1 1 A 121 121 VAL HA H 121 3.240 3.560 -0.320 1 1 1477 . 8 1 1 A 121 121 VAL C C 121 179.110 177.791 1.319 1 1 1478 . 8 1 1 A 121 121 VAL CA C 121 67.300 66.291 1.009 1 1 1479 . 8 1 1 A 121 121 VAL CB C 121 31.550 31.593 -0.043 1 1 1482 . 8 1 1 A 121 121 VAL N N 121 119.400 121.457 -2.057 1 1 1483 . 8 1 1 A 122 122 ASP H H 122 7.840 8.102 -0.262 1 1 1484 . 8 1 1 A 122 122 ASP HA H 122 4.260 4.321 -0.061 1 1 1487 . 8 1 1 A 122 122 ASP C C 122 178.890 178.222 0.668 1 1 1488 . 8 1 1 A 122 122 ASP CA C 122 57.700 57.556 0.144 1 1 1489 . 8 1 1 A 122 122 ASP CB C 122 40.200 41.153 -0.953 1 1 1490 . 8 1 1 A 122 122 ASP N N 122 118.550 120.454 -1.904 1 1 1491 . 8 1 1 A 123 123 GLU H H 123 8.110 8.201 -0.091 1 1 1492 . 8 1 1 A 123 123 GLU HA H 123 3.880 4.050 -0.170 1 1 1497 . 8 1 1 A 123 123 GLU C C 123 177.710 178.945 -1.235 1 1 1498 . 8 1 1 A 123 123 GLU CA C 123 59.600 59.347 0.253 1 1 1499 . 8 1 1 A 123 123 GLU CB C 123 29.400 29.233 0.167 1 1 1501 . 8 1 1 A 123 123 GLU N N 123 119.670 119.316 0.354 1 1 1502 . 8 1 1 A 124 124 MET H H 124 8.000 8.135 -0.135 1 1 1503 . 8 1 1 A 124 124 MET HA H 124 3.700 4.177 -0.477 1 1 1511 . 8 1 1 A 124 124 MET C C 124 179.020 178.864 0.156 1 1 1512 . 8 1 1 A 124 124 MET CA C 124 60.700 58.860 1.840 1 1 1513 . 8 1 1 A 124 124 MET CB C 124 33.200 33.003 0.197 1 1 1516 . 8 1 1 A 124 124 MET N N 124 118.100 118.613 -0.513 1 1 1517 . 8 1 1 A 125 125 ILE H H 125 8.220 7.821 0.399 1 1 1518 . 8 1 1 A 125 125 ILE HA H 125 3.610 3.616 -0.006 1 1 1528 . 8 1 1 A 125 125 ILE C C 125 179.410 177.939 1.471 1 1 1529 . 8 1 1 A 125 125 ILE CA C 125 64.200 65.003 -0.803 1 1 1530 . 8 1 1 A 125 125 ILE CB C 125 36.000 37.805 -1.805 1 1 1534 . 8 1 1 A 125 125 ILE N N 125 121.400 119.497 1.903 1 1 1535 . 8 1 1 A 126 126 ARG H H 126 8.510 7.962 0.548 1 1 1536 . 8 1 1 A 126 126 ARG HA H 126 3.930 3.911 0.019 1 1 1543 . 8 1 1 A 126 126 ARG C C 126 178.070 178.541 -0.471 1 1 1544 . 8 1 1 A 126 126 ARG CA C 126 59.500 59.716 -0.216 1 1 1545 . 8 1 1 A 126 126 ARG CB C 126 30.300 29.597 0.703 1 1 1548 . 8 1 1 A 126 126 ARG N N 126 117.650 120.221 -2.571 1 1 1549 . 8 1 1 A 127 127 GLU H H 127 7.820 8.222 -0.402 1 1 1550 . 8 1 1 A 127 127 GLU HA H 127 3.880 4.032 -0.152 1 1 1555 . 8 1 1 A 127 127 GLU C C 127 180.080 178.290 1.790 1 1 1556 . 8 1 1 A 127 127 GLU CA C 127 58.300 59.311 -1.011 1 1 1557 . 8 1 1 A 127 127 GLU CB C 127 29.800 29.323 0.477 1 1 1559 . 8 1 1 A 127 127 GLU N N 127 115.300 118.825 -3.525 1 1 1560 . 8 1 1 A 128 128 ALA H H 128 6.960 7.249 -0.289 1 1 1561 . 8 1 1 A 128 128 ALA HA H 128 4.340 4.341 -0.001 1 1 1565 . 8 1 1 A 128 128 ALA C C 128 181.640 177.140 4.500 1 1 1566 . 8 1 1 A 128 128 ALA CA C 128 51.700 52.227 -0.527 1 1 1567 . 8 1 1 A 128 128 ALA CB C 128 22.400 20.162 2.238 1 1 1568 . 8 1 1 A 128 128 ALA N N 128 115.890 121.138 -5.248 1 1 1569 . 8 1 1 A 129 129 ASP H H 129 8.210 7.855 0.355 1 1 1570 . 8 1 1 A 129 129 ASP HA H 129 4.360 4.587 -0.227 1 1 1573 . 8 1 1 A 129 129 ASP C C 129 176.420 177.024 -0.604 1 1 1574 . 8 1 1 A 129 129 ASP CA C 129 54.300 53.954 0.346 1 1 1575 . 8 1 1 A 129 129 ASP CB C 129 40.400 40.351 0.049 1 1 1576 . 8 1 1 A 129 129 ASP N N 129 117.100 118.697 -1.597 1 1 1577 . 8 1 1 A 130 130 ILE H H 130 8.250 8.150 0.100 1 1 1578 . 8 1 1 A 130 130 ILE HA H 130 3.800 4.047 -0.247 1 1 1588 . 8 1 1 A 130 130 ILE C C 130 177.960 175.243 2.717 1 1 1589 . 8 1 1 A 130 130 ILE CA C 130 63.500 62.833 0.667 1 1 1590 . 8 1 1 A 130 130 ILE CB C 130 38.500 38.019 0.481 1 1 1594 . 8 1 1 A 130 130 ILE N N 130 127.900 122.385 5.515 1 1 1595 . 8 1 1 A 131 131 ASP H H 131 8.220 7.595 0.625 1 1 1596 . 8 1 1 A 131 131 ASP HA H 131 4.400 4.970 -0.570 1 1 1599 . 8 1 1 A 131 131 ASP C C 131 175.850 175.923 -0.073 1 1 1600 . 8 1 1 A 131 131 ASP CA C 131 53.800 52.420 1.380 1 1 1601 . 8 1 1 A 131 131 ASP CB C 131 39.900 44.065 -4.165 1 1 1602 . 8 1 1 A 131 131 ASP N N 131 116.250 119.607 -3.357 1 1 1603 . 8 1 1 A 132 132 GLY H H 132 7.520 9.040 -1.520 1 1 1604 . 8 1 1 A 132 132 GLY HA2 H 132 3.700 3.913 -0.213 1 1 1605 . 8 1 1 A 132 132 GLY HA3 H 132 3.900 3.919 -0.019 1 1 1606 . 8 1 1 A 132 132 GLY C C 132 177.820 175.101 2.719 1 1 1607 . 8 1 1 A 132 132 GLY CA C 132 47.400 47.265 0.135 1 1 1608 . 8 1 1 A 132 132 GLY N N 132 108.170 107.812 0.358 1 1 1609 . 8 1 1 A 133 133 ASP H H 133 8.240 8.198 0.042 1 1 1610 . 8 1 1 A 133 133 ASP HA H 133 4.360 4.553 -0.193 1 1 1613 . 8 1 1 A 133 133 ASP C C 133 178.290 177.530 0.760 1 1 1614 . 8 1 1 A 133 133 ASP CA C 133 53.800 53.498 0.302 1 1 1615 . 8 1 1 A 133 133 ASP CB C 133 40.300 40.308 -0.008 1 1 1616 . 8 1 1 A 133 133 ASP N N 133 120.370 120.262 0.108 1 1 1617 . 8 1 1 A 134 134 GLY H H 134 10.140 9.457 0.683 1 1 1618 . 8 1 1 A 134 134 GLY HA2 H 134 3.300 3.833 -0.533 1 1 1619 . 8 1 1 A 134 134 GLY HA3 H 134 3.930 3.850 0.080 1 1 1620 . 8 1 1 A 134 134 GLY C C 134 175.350 173.258 2.092 1 1 1621 . 8 1 1 A 134 134 GLY CA C 134 45.900 45.633 0.267 1 1 1622 . 8 1 1 A 134 134 GLY N N 134 112.150 111.298 0.852 1 1 1623 . 8 1 1 A 135 135 GLN H H 135 7.910 8.047 -0.137 1 1 1624 . 8 1 1 A 135 135 GLN HA H 135 4.870 5.027 -0.157 1 1 1631 . 8 1 1 A 135 135 GLN C C 135 177.620 174.755 2.865 1 1 1632 . 8 1 1 A 135 135 GLN CA C 135 53.300 53.712 -0.412 1 1 1633 . 8 1 1 A 135 135 GLN CB C 135 33.000 32.520 0.480 1 1 1635 . 8 1 1 A 135 135 GLN N N 135 114.700 118.715 -4.015 1 1 1637 . 8 1 1 A 136 136 VAL H H 136 9.070 8.860 0.210 1 1 1638 . 8 1 1 A 136 136 VAL HA H 136 5.110 5.123 -0.013 1 1 1646 . 8 1 1 A 136 136 VAL C C 136 172.750 175.411 -2.661 1 1 1647 . 8 1 1 A 136 136 VAL CA C 136 61.800 61.852 -0.052 1 1 1648 . 8 1 1 A 136 136 VAL CB C 136 34.100 32.915 1.185 1 1 1651 . 8 1 1 A 136 136 VAL N N 136 124.900 122.441 2.459 1 1 1652 . 8 1 1 A 137 137 ASN H H 137 9.450 8.793 0.657 1 1 1653 . 8 1 1 A 137 137 ASN HA H 137 5.240 3.745 1.495 1 1 1658 . 8 1 1 A 137 137 ASN CA C 137 51.400 51.599 -0.199 1 1 1659 . 8 1 1 A 137 137 ASN CB C 137 40.000 39.862 0.138 1 1 1660 . 8 1 1 A 137 137 ASN N N 137 128.840 126.370 2.470 1 1 1662 . 8 1 1 A 138 138 TYR H H 138 8.330 8.672 -0.342 1 1 1663 . 8 1 1 A 138 138 TYR HA H 138 3.240 4.232 -0.992 1 1 1670 . 8 1 1 A 138 138 TYR C C 138 180.030 177.335 2.695 1 1 1671 . 8 1 1 A 138 138 TYR CA C 138 62.400 62.447 -0.047 1 1 1672 . 8 1 1 A 138 138 TYR CB C 138 38.000 38.389 -0.389 1 1 1677 . 8 1 1 A 138 138 TYR N N 138 118.150 125.835 -7.685 1 1 1678 . 8 1 1 A 139 139 GLU H H 139 7.990 8.527 -0.537 1 1 1679 . 8 1 1 A 139 139 GLU HA H 139 3.520 3.902 -0.382 1 1 1684 . 8 1 1 A 139 139 GLU C C 139 179.170 179.035 0.135 1 1 1685 . 8 1 1 A 139 139 GLU CA C 139 60.550 60.121 0.429 1 1 1686 . 8 1 1 A 139 139 GLU CB C 139 29.100 29.651 -0.551 1 1 1688 . 8 1 1 A 139 139 GLU N N 139 118.100 118.769 -0.669 1 1 1689 . 8 1 1 A 140 140 GLU H H 140 8.640 8.059 0.581 1 1 1690 . 8 1 1 A 140 140 GLU HA H 140 3.780 4.050 -0.270 1 1 1695 . 8 1 1 A 140 140 GLU C C 140 181.440 178.978 2.462 1 1 1696 . 8 1 1 A 140 140 GLU CA C 140 58.800 59.067 -0.267 1 1 1697 . 8 1 1 A 140 140 GLU CB C 140 29.200 29.654 -0.454 1 1 1699 . 8 1 1 A 140 140 GLU N N 140 119.300 119.393 -0.093 1 1 1700 . 8 1 1 A 141 141 PHE H H 141 8.470 8.007 0.463 1 1 1701 . 8 1 1 A 141 141 PHE HA H 141 3.380 3.864 -0.484 1 1 1709 . 8 1 1 A 141 141 PHE C C 141 178.980 176.742 2.238 1 1 1710 . 8 1 1 A 141 141 PHE CA C 141 61.900 61.291 0.609 1 1 1711 . 8 1 1 A 141 141 PHE CB C 141 40.200 39.257 0.943 1 1 1717 . 8 1 1 A 141 141 PHE N N 141 123.640 121.705 1.935 1 1 1718 . 8 1 1 A 142 142 VAL H H 142 8.510 8.103 0.407 1 1 1719 . 8 1 1 A 142 142 VAL HA H 142 3.000 3.321 -0.321 1 1 1727 . 8 1 1 A 142 142 VAL C C 142 176.540 177.616 -1.076 1 1 1728 . 8 1 1 A 142 142 VAL CA C 142 66.900 66.354 0.546 1 1 1729 . 8 1 1 A 142 142 VAL CB C 142 31.450 31.362 0.088 1 1 1732 . 8 1 1 A 142 142 VAL N N 142 118.330 118.910 -0.580 1 1 1733 . 8 1 1 A 143 143 GLN H H 143 7.520 8.079 -0.559 1 1 1734 . 8 1 1 A 143 143 GLN HA H 143 3.750 3.901 -0.151 1 1 1741 . 8 1 1 A 143 143 GLN C C 143 176.630 178.201 -1.571 1 1 1742 . 8 1 1 A 143 143 GLN CA C 143 58.900 59.234 -0.334 1 1 1743 . 8 1 1 A 143 143 GLN CB C 143 28.200 28.098 0.102 1 1 1745 . 8 1 1 A 143 143 GLN N N 143 118.100 119.417 -1.317 1 1 1747 . 8 1 1 A 144 144 MET H H 144 7.250 7.865 -0.615 1 1 1748 . 8 1 1 A 144 144 MET HA H 144 4.090 4.192 -0.102 1 1 1756 . 8 1 1 A 144 144 MET C C 144 179.340 178.825 0.515 1 1 1757 . 8 1 1 A 144 144 MET CA C 144 56.750 57.285 -0.535 1 1 1758 . 8 1 1 A 144 144 MET CB C 144 30.800 31.871 -1.071 1 1 1761 . 8 1 1 A 144 144 MET N N 144 117.300 117.903 -0.603 1 1 1762 . 8 1 1 A 145 145 MET H H 145 7.460 7.746 -0.286 1 1 1763 . 8 1 1 A 145 145 MET HA H 145 3.900 4.015 -0.115 1 1 1771 . 8 1 1 A 145 145 MET C C 145 178.110 177.941 0.169 1 1 1772 . 8 1 1 A 145 145 MET CA C 145 56.800 57.838 -1.038 1 1 1773 . 8 1 1 A 145 145 MET CB C 145 31.800 33.631 -1.831 1 1 1776 . 8 1 1 A 145 145 MET N N 145 114.350 118.700 -4.350 1 1 1777 . 8 1 1 A 146 146 THR H H 146 7.560 7.767 -0.207 1 1 1778 . 8 1 1 A 146 146 THR HA H 146 4.220 4.205 0.015 1 1 1783 . 8 1 1 A 146 146 THR C C 146 177.440 174.774 2.666 1 1 1784 . 8 1 1 A 146 146 THR CA C 146 62.650 64.018 -1.368 1 1 1785 . 8 1 1 A 146 146 THR CB C 146 69.700 68.897 0.803 1 1 1787 . 8 1 1 A 146 146 THR N N 146 109.350 109.702 -0.352 1 1 1788 . 8 1 1 A 147 147 ALA H H 147 7.420 7.588 -0.168 1 1 1789 . 8 1 1 A 147 147 ALA HA H 147 4.170 4.057 0.113 1 1 1793 . 8 1 1 A 147 147 ALA C C 147 177.480 177.007 0.473 1 1 1794 . 8 1 1 A 147 147 ALA CA C 147 52.900 53.066 -0.166 1 1 1795 . 8 1 1 A 147 147 ALA CB C 147 19.200 19.097 0.103 1 1 1796 . 8 1 1 A 147 147 ALA N N 147 125.650 126.013 -0.363 1 1 1814 . 8 2 2 B 1 1 ARG H H 1088 8.270 8.854 -0.584 1 1 1815 . 8 2 2 B 1 1 ARG HA H 1088 3.860 4.500 -0.640 1 1 1822 . 8 2 2 B 1 1 ARG CA C 1088 59.900 54.837 5.063 1 1 1823 . 8 2 2 B 1 1 ARG CB C 1088 29.900 29.427 0.473 1 1 1826 . 8 2 2 B 1 1 ARG N N 1088 117.300 126.910 -9.610 1 1 1827 . 8 2 2 B 2 2 GLY H H 1089 9.370 8.757 0.613 1 1 1828 . 8 2 2 B 2 2 GLY HA2 H 1089 3.520 3.943 -0.423 1 1 1829 . 8 2 2 B 2 2 GLY HA3 H 1089 3.730 3.990 -0.260 1 1 1830 . 8 2 2 B 2 2 GLY C C 1089 176.650 175.891 0.759 1 1 1831 . 8 2 2 B 2 2 GLY CA C 1089 47.200 46.659 0.541 1 1 1832 . 8 2 2 B 2 2 GLY N N 1089 105.000 111.495 -6.495 1 1 1833 . 8 2 2 B 3 3 GLN H H 1090 6.980 7.930 -0.950 1 1 1834 . 8 2 2 B 3 3 GLN HA H 1090 3.830 4.164 -0.334 1 1 1841 . 8 2 2 B 3 3 GLN C C 1090 177.680 178.607 -0.927 1 1 1842 . 8 2 2 B 3 3 GLN CA C 1090 59.100 58.729 0.371 1 1 1843 . 8 2 2 B 3 3 GLN CB C 1090 29.800 28.530 1.270 1 1 1845 . 8 2 2 B 3 3 GLN N N 1090 117.350 120.217 -2.867 1 1 1847 . 8 2 2 B 4 4 ILE H H 1091 7.760 7.911 -0.151 1 1 1848 . 8 2 2 B 4 4 ILE HA H 1091 3.480 3.662 -0.182 1 1 1858 . 8 2 2 B 4 4 ILE C C 1091 175.070 178.293 -3.223 1 1 1859 . 8 2 2 B 4 4 ILE CA C 1091 65.600 65.936 -0.336 1 1 1860 . 8 2 2 B 4 4 ILE CB C 1091 38.000 38.189 -0.189 1 1 1864 . 8 2 2 B 4 4 ILE N N 1091 119.650 121.251 -1.601 1 1 1865 . 8 2 2 B 5 5 LEU H H 1092 7.830 8.341 -0.511 1 1 1866 . 8 2 2 B 5 5 LEU HA H 1092 3.820 3.901 -0.081 1 1 1876 . 8 2 2 B 5 5 LEU C C 1092 176.220 179.152 -2.932 1 1 1877 . 8 2 2 B 5 5 LEU CA C 1092 58.250 58.392 -0.142 1 1 1878 . 8 2 2 B 5 5 LEU CB C 1092 41.700 42.117 -0.417 1 1 1882 . 8 2 2 B 5 5 LEU N N 1092 119.200 118.687 0.513 1 1 1883 . 8 2 2 B 6 6 TRP H H 1093 7.650 8.332 -0.682 1 1 1884 . 8 2 2 B 6 6 TRP HA H 1093 4.120 4.330 -0.210 1 1 1893 . 8 2 2 B 6 6 TRP C C 1093 178.490 179.254 -0.764 1 1 1894 . 8 2 2 B 6 6 TRP CA C 1093 61.100 60.574 0.526 1 1 1895 . 8 2 2 B 6 6 TRP CB C 1093 30.000 29.194 0.806 1 1 1901 . 8 2 2 B 6 6 TRP N N 1093 119.200 118.601 0.599 1 1 1903 . 8 2 2 B 7 7 PHE H H 1094 8.400 8.410 -0.010 1 1 1904 . 8 2 2 B 7 7 PHE HA H 1094 4.390 4.229 0.161 1 1 1912 . 8 2 2 B 7 7 PHE C C 1094 178.840 177.388 1.452 1 1 1913 . 8 2 2 B 7 7 PHE CA C 1094 59.700 61.532 -1.832 1 1 1914 . 8 2 2 B 7 7 PHE CB C 1094 37.000 39.253 -2.253 1 1 1919 . 8 2 2 B 7 7 PHE N N 1094 117.800 119.853 -2.053 1 1 1920 . 8 2 2 B 8 8 ARG H H 1095 8.360 8.303 0.057 1 1 1921 . 8 2 2 B 8 8 ARG HA H 1095 4.140 4.174 -0.034 1 1 1928 . 8 2 2 B 8 8 ARG C C 1095 178.290 179.118 -0.828 1 1 1929 . 8 2 2 B 8 8 ARG CA C 1095 59.600 59.817 -0.217 1 1 1930 . 8 2 2 B 8 8 ARG CB C 1095 30.500 30.191 0.309 1 1 1933 . 8 2 2 B 8 8 ARG N N 1095 120.800 118.002 2.798 1 1 1934 . 8 2 2 B 9 9 GLY H H 1096 8.330 8.284 0.046 1 1 1935 . 8 2 2 B 9 9 GLY HA2 H 1096 3.560 3.612 -0.052 1 1 1936 . 8 2 2 B 9 9 GLY HA3 H 1096 3.720 3.646 0.074 1 1 1937 . 8 2 2 B 9 9 GLY C C 1096 178.010 175.564 2.446 1 1 1938 . 8 2 2 B 9 9 GLY CA C 1096 47.200 47.335 -0.135 1 1 1939 . 8 2 2 B 9 9 GLY N N 1096 106.400 107.229 -0.829 1 1 1940 . 8 2 2 B 10 10 LEU H H 1097 9.090 8.006 1.084 1 1 1941 . 8 2 2 B 10 10 LEU HA H 1097 4.150 3.938 0.212 1 1 1951 . 8 2 2 B 10 10 LEU C C 1097 178.820 178.431 0.389 1 1 1952 . 8 2 2 B 10 10 LEU CA C 1097 58.500 57.205 1.295 1 1 1953 . 8 2 2 B 10 10 LEU CB C 1097 41.600 40.980 0.620 1 1 1957 . 8 2 2 B 10 10 LEU N N 1097 120.900 122.651 -1.751 1 1 1958 . 8 2 2 B 11 11 ASN H H 1098 8.380 8.074 0.306 1 1 1959 . 8 2 2 B 11 11 ASN HA H 1098 4.440 4.334 0.106 1 1 1964 . 8 2 2 B 11 11 ASN CA C 1098 56.700 56.970 -0.270 1 1 1965 . 8 2 2 B 11 11 ASN CB C 1098 38.700 39.854 -1.154 1 1 1966 . 8 2 2 B 11 11 ASN N N 1098 116.900 117.168 -0.268 1 1 1968 . 8 2 2 B 12 12 ARG H H 1099 7.900 7.553 0.347 1 1 1969 . 8 2 2 B 12 12 ARG HA H 1099 3.980 4.107 -0.127 1 1 1976 . 8 2 2 B 12 12 ARG C C 1099 178.360 178.344 0.016 1 1 1977 . 8 2 2 B 12 12 ARG CA C 1099 60.200 59.122 1.078 1 1 1978 . 8 2 2 B 12 12 ARG CB C 1099 32.600 29.999 2.601 1 1 1981 . 8 2 2 B 12 12 ARG N N 1099 120.100 118.553 1.547 1 1 1982 . 8 2 2 B 13 13 ILE H H 1100 8.230 7.991 0.239 1 1 1983 . 8 2 2 B 13 13 ILE HA H 1100 3.840 3.638 0.202 1 1 1993 . 8 2 2 B 13 13 ILE C C 1100 178.110 177.931 0.179 1 1 1994 . 8 2 2 B 13 13 ILE CA C 1100 63.800 65.407 -1.607 1 1 1995 . 8 2 2 B 13 13 ILE CB C 1100 37.300 37.578 -0.278 1 1 1999 . 8 2 2 B 13 13 ILE N N 1100 120.350 120.799 -0.449 1 1 2000 . 8 2 2 B 14 14 GLN H H 1101 8.830 7.740 1.090 1 1 2001 . 8 2 2 B 14 14 GLN HA H 1101 3.990 3.932 0.058 1 1 2008 . 8 2 2 B 14 14 GLN C C 1101 177.860 178.818 -0.958 1 1 2009 . 8 2 2 B 14 14 GLN CA C 1101 60.000 59.098 0.902 1 1 2010 . 8 2 2 B 14 14 GLN CB C 1101 28.800 28.395 0.405 1 1 2012 . 8 2 2 B 14 14 GLN N N 1101 118.700 117.918 0.782 1 1 2014 . 8 2 2 B 15 15 THR H H 1102 8.140 7.685 0.455 1 1 2015 . 8 2 2 B 15 15 THR HA H 1102 3.890 3.787 0.103 1 1 2020 . 8 2 2 B 15 15 THR C C 1102 177.470 176.569 0.901 1 1 2021 . 8 2 2 B 15 15 THR CA C 1102 67.400 67.485 -0.085 1 1 2022 . 8 2 2 B 15 15 THR CB C 1102 70.300 68.534 1.766 1 1 2024 . 8 2 2 B 15 15 THR N N 1102 117.500 117.796 -0.296 1 1 2025 . 8 2 2 B 16 16 GLN H H 1103 8.320 8.340 -0.020 1 1 2026 . 8 2 2 B 16 16 GLN HA H 1103 4.100 3.940 0.160 1 1 2033 . 8 2 2 B 16 16 GLN C C 1103 178.890 178.688 0.202 1 1 2034 . 8 2 2 B 16 16 GLN CA C 1103 60.600 59.251 1.349 1 1 2035 . 8 2 2 B 16 16 GLN CB C 1103 30.500 28.481 2.019 1 1 2037 . 8 2 2 B 16 16 GLN N N 1103 120.650 119.134 1.516 1 1 2039 . 8 2 2 B 17 17 ILE H H 1104 8.690 7.399 1.291 1 1 2040 . 8 2 2 B 17 17 ILE HA H 1104 3.470 3.998 -0.528 1 1 2050 . 8 2 2 B 17 17 ILE C C 1104 175.230 178.012 -2.782 1 1 2051 . 8 2 2 B 17 17 ILE CA C 1104 66.150 62.097 4.053 1 1 2052 . 8 2 2 B 17 17 ILE CB C 1104 38.300 37.954 0.346 1 1 2056 . 8 2 2 B 17 17 ILE N N 1104 119.400 120.128 -0.728 1 1 2057 . 8 2 2 B 18 18 LYS H H 1105 7.950 8.893 -0.943 1 1 2058 . 8 2 2 B 18 18 LYS HA H 1105 3.900 4.007 -0.107 1 1 2067 . 8 2 2 B 18 18 LYS C C 1105 177.660 178.598 -0.938 1 1 2068 . 8 2 2 B 18 18 LYS CA C 1105 60.050 59.768 0.282 1 1 2069 . 8 2 2 B 18 18 LYS CB C 1105 32.700 32.429 0.271 1 1 2073 . 8 2 2 B 18 18 LYS N N 1105 120.280 123.555 -3.275 1 1 2074 . 8 2 2 B 19 19 VAL H H 1106 8.280 7.681 0.599 1 1 2075 . 8 2 2 B 19 19 VAL HA H 1106 3.430 3.774 -0.344 1 1 2083 . 8 2 2 B 19 19 VAL C C 1106 177.660 178.373 -0.713 1 1 2084 . 8 2 2 B 19 19 VAL CA C 1106 65.900 66.613 -0.713 1 1 2085 . 8 2 2 B 19 19 VAL CB C 1106 31.400 31.783 -0.383 1 1 2088 . 8 2 2 B 19 19 VAL N N 1106 120.660 119.454 1.206 1 1 2089 . 8 2 2 B 20 20 VAL H H 1107 8.420 8.036 0.384 1 1 2090 . 8 2 2 B 20 20 VAL HA H 1107 3.580 3.904 -0.324 1 1 2098 . 8 2 2 B 20 20 VAL C C 1107 178.930 178.235 0.695 1 1 2099 . 8 2 2 B 20 20 VAL CA C 1107 68.390 66.005 2.385 1 1 2100 . 8 2 2 B 20 20 VAL CB C 1107 31.200 31.473 -0.273 1 1 2103 . 8 2 2 B 20 20 VAL N N 1107 119.990 116.536 3.454 1 1 2104 . 8 2 2 B 21 21 LYS H H 1108 8.300 8.157 0.143 1 1 2105 . 8 2 2 B 21 21 LYS HA H 1108 4.050 4.112 -0.062 1 1 2114 . 8 2 2 B 21 21 LYS C C 1108 177.230 178.884 -1.654 1 1 2115 . 8 2 2 B 21 21 LYS CA C 1108 59.980 59.845 0.135 1 1 2116 . 8 2 2 B 21 21 LYS CB C 1108 32.400 32.221 0.179 1 1 2120 . 8 2 2 B 21 21 LYS N N 1108 119.290 122.155 -2.865 1 1 2121 . 8 2 2 B 22 22 ALA H H 1109 7.690 8.121 -0.431 1 1 2122 . 8 2 2 B 22 22 ALA HA H 1109 3.900 4.183 -0.283 1 1 2126 . 8 2 2 B 22 22 ALA C C 1109 178.200 179.641 -1.441 1 1 2127 . 8 2 2 B 22 22 ALA CA C 1109 54.950 55.259 -0.309 1 1 2128 . 8 2 2 B 22 22 ALA CB C 1109 22.000 18.775 3.225 1 1 2129 . 8 2 2 B 22 22 ALA N N 1109 123.910 122.238 1.672 1 1 2130 . 8 2 2 B 23 23 PHE H H 1110 7.920 8.272 -0.352 1 1 2131 . 8 2 2 B 23 23 PHE HA H 1110 4.120 4.247 -0.127 1 1 2139 . 8 2 2 B 23 23 PHE C C 1110 178.840 178.152 0.688 1 1 2140 . 8 2 2 B 23 23 PHE CA C 1110 61.260 60.675 0.585 1 1 2141 . 8 2 2 B 23 23 PHE CB C 1110 40.200 38.906 1.294 1 1 2147 . 8 2 2 B 23 23 PHE N N 1110 118.200 115.663 2.537 1 1 2148 . 8 2 2 B 24 24 HIS H H 1111 7.960 7.484 0.476 1 1 2149 . 8 2 2 B 24 24 HIS HA H 1111 4.530 4.389 0.141 1 1 2155 . 8 2 2 B 24 24 HIS C C 1111 178.710 175.198 3.512 1 1 2156 . 8 2 2 B 24 24 HIS CA C 1111 57.200 59.885 -2.685 1 1 2157 . 8 2 2 B 24 24 HIS CB C 1111 30.200 29.806 0.394 1 1 2160 . 8 2 2 B 24 24 HIS N N 1111 117.760 117.565 0.195 1 1 2162 . 8 2 2 B 25 25 SER H H 1112 7.980 8.676 -0.696 1 1 2163 . 8 2 2 B 25 25 SER HA H 1112 4.340 4.038 0.302 1 1 2166 . 8 2 2 B 25 25 SER C C 1112 177.230 173.540 3.690 1 1 2167 . 8 2 2 B 25 25 SER CA C 1112 58.570 59.266 -0.696 1 1 2168 . 8 2 2 B 25 25 SER CB C 1112 63.800 61.872 1.928 1 1 2169 . 8 2 2 B 25 25 SER N N 1112 116.970 114.530 2.440 1 1 9 . 9 1 1 A 2 2 ASP H H 2 8.220 8.343 -0.123 1 1 10 . 9 1 1 A 2 2 ASP HA H 2 4.500 4.288 0.212 1 1 13 . 9 1 1 A 2 2 ASP CA C 2 54.750 55.301 -0.551 1 1 14 . 9 1 1 A 2 2 ASP CB C 2 41.350 39.582 1.768 1 1 15 . 9 1 1 A 2 2 ASP N N 2 121.760 118.080 3.680 1 1 16 . 9 1 1 A 3 3 GLN H H 3 8.320 8.435 -0.115 1 1 17 . 9 1 1 A 3 3 GLN HA H 3 4.240 4.309 -0.069 1 1 24 . 9 1 1 A 3 3 GLN CA C 3 55.750 56.781 -1.031 1 1 25 . 9 1 1 A 3 3 GLN CB C 3 29.700 28.077 1.623 1 1 27 . 9 1 1 A 3 3 GLN N N 3 119.800 116.309 3.491 1 1 29 . 9 1 1 A 4 4 LEU H H 4 8.250 8.372 -0.122 1 1 30 . 9 1 1 A 4 4 LEU HA H 4 4.540 4.425 0.115 1 1 40 . 9 1 1 A 4 4 LEU C C 4 175.740 176.463 -0.723 1 1 41 . 9 1 1 A 4 4 LEU CA C 4 54.600 55.501 -0.901 1 1 42 . 9 1 1 A 4 4 LEU CB C 4 43.600 45.046 -1.446 1 1 46 . 9 1 1 A 4 4 LEU N N 4 123.100 127.539 -4.439 1 1 47 . 9 1 1 A 5 5 THR H H 5 8.680 7.799 0.881 1 1 48 . 9 1 1 A 5 5 THR HA H 5 4.350 4.381 -0.031 1 1 53 . 9 1 1 A 5 5 THR C C 5 175.750 175.454 0.296 1 1 54 . 9 1 1 A 5 5 THR CA C 5 60.500 61.985 -1.485 1 1 55 . 9 1 1 A 5 5 THR CB C 5 71.100 69.732 1.368 1 1 57 . 9 1 1 A 5 5 THR N N 5 112.700 114.867 -2.167 1 1 58 . 9 1 1 A 6 6 GLU H H 6 8.950 8.987 -0.037 1 1 59 . 9 1 1 A 6 6 GLU HA H 6 3.880 4.009 -0.129 1 1 64 . 9 1 1 A 6 6 GLU C C 6 177.790 178.545 -0.755 1 1 65 . 9 1 1 A 6 6 GLU CA C 6 60.200 59.476 0.724 1 1 66 . 9 1 1 A 6 6 GLU CB C 6 29.300 29.141 0.159 1 1 68 . 9 1 1 A 6 6 GLU N N 6 119.950 126.288 -6.338 1 1 69 . 9 1 1 A 7 7 GLU H H 7 8.660 7.852 0.808 1 1 70 . 9 1 1 A 7 7 GLU HA H 7 3.940 4.010 -0.070 1 1 75 . 9 1 1 A 7 7 GLU C C 7 175.460 179.076 -3.616 1 1 76 . 9 1 1 A 7 7 GLU CA C 7 60.200 59.659 0.541 1 1 77 . 9 1 1 A 7 7 GLU CB C 7 29.100 29.228 -0.128 1 1 79 . 9 1 1 A 7 7 GLU N N 7 119.250 119.857 -0.607 1 1 80 . 9 1 1 A 8 8 GLN H H 8 7.670 7.707 -0.037 1 1 81 . 9 1 1 A 8 8 GLN HA H 8 3.760 4.195 -0.435 1 1 88 . 9 1 1 A 8 8 GLN C C 8 179.600 179.066 0.534 1 1 89 . 9 1 1 A 8 8 GLN CA C 8 58.800 58.603 0.197 1 1 90 . 9 1 1 A 8 8 GLN CB C 8 29.300 28.532 0.768 1 1 92 . 9 1 1 A 8 8 GLN N N 8 120.000 118.246 1.754 1 1 94 . 9 1 1 A 9 9 ILE H H 9 8.280 8.121 0.159 1 1 95 . 9 1 1 A 9 9 ILE HA H 9 3.580 3.785 -0.205 1 1 105 . 9 1 1 A 9 9 ILE C C 9 179.270 177.920 1.350 1 1 106 . 9 1 1 A 9 9 ILE CA C 9 66.400 65.674 0.726 1 1 107 . 9 1 1 A 9 9 ILE CB C 9 38.100 37.983 0.117 1 1 111 . 9 1 1 A 9 9 ILE N N 9 119.400 121.283 -1.883 1 1 112 . 9 1 1 A 10 10 ALA H H 10 7.950 8.495 -0.545 1 1 113 . 9 1 1 A 10 10 ALA HA H 10 4.020 4.030 -0.010 1 1 117 . 9 1 1 A 10 10 ALA C C 10 178.490 179.428 -0.938 1 1 118 . 9 1 1 A 10 10 ALA CA C 10 55.400 55.860 -0.460 1 1 119 . 9 1 1 A 10 10 ALA CB C 10 17.950 18.331 -0.381 1 1 120 . 9 1 1 A 10 10 ALA N N 10 121.000 122.337 -1.337 1 1 121 . 9 1 1 A 11 11 GLU H H 11 7.730 8.101 -0.371 1 1 122 . 9 1 1 A 11 11 GLU HA H 11 4.030 4.053 -0.023 1 1 127 . 9 1 1 A 11 11 GLU C C 11 177.860 179.258 -1.398 1 1 128 . 9 1 1 A 11 11 GLU CA C 11 59.500 59.419 0.081 1 1 129 . 9 1 1 A 11 11 GLU CB C 11 29.500 29.581 -0.081 1 1 131 . 9 1 1 A 11 11 GLU N N 11 119.700 118.666 1.034 1 1 132 . 9 1 1 A 12 12 PHE H H 12 8.470 8.440 0.030 1 1 133 . 9 1 1 A 12 12 PHE HA H 12 4.910 4.320 0.590 1 1 141 . 9 1 1 A 12 12 PHE C C 12 181.140 178.164 2.976 1 1 142 . 9 1 1 A 12 12 PHE CA C 12 59.200 61.584 -2.384 1 1 143 . 9 1 1 A 12 12 PHE CB C 12 37.700 38.660 -0.960 1 1 149 . 9 1 1 A 12 12 PHE N N 12 119.900 119.600 0.300 1 1 150 . 9 1 1 A 13 13 LYS H H 13 9.180 8.618 0.562 1 1 151 . 9 1 1 A 13 13 LYS HA H 13 3.860 3.824 0.036 1 1 160 . 9 1 1 A 13 13 LYS C C 13 180.730 178.605 2.125 1 1 161 . 9 1 1 A 13 13 LYS CA C 13 60.300 60.037 0.263 1 1 162 . 9 1 1 A 13 13 LYS CB C 13 31.900 32.705 -0.805 1 1 166 . 9 1 1 A 13 13 LYS N N 13 124.000 120.451 3.549 1 1 167 . 9 1 1 A 14 14 GLU H H 14 7.770 8.001 -0.231 1 1 168 . 9 1 1 A 14 14 GLU HA H 14 4.050 4.040 0.010 1 1 173 . 9 1 1 A 14 14 GLU C C 14 178.750 179.026 -0.276 1 1 174 . 9 1 1 A 14 14 GLU CA C 14 59.300 59.498 -0.198 1 1 175 . 9 1 1 A 14 14 GLU CB C 14 29.300 29.284 0.016 1 1 177 . 9 1 1 A 14 14 GLU N N 14 120.060 118.514 1.546 1 1 178 . 9 1 1 A 15 15 ALA H H 15 8.020 7.557 0.463 1 1 179 . 9 1 1 A 15 15 ALA HA H 15 4.110 4.134 -0.024 1 1 183 . 9 1 1 A 15 15 ALA C C 15 179.220 179.901 -0.681 1 1 184 . 9 1 1 A 15 15 ALA CA C 15 55.900 54.898 1.002 1 1 185 . 9 1 1 A 15 15 ALA CB C 15 18.430 18.034 0.396 1 1 186 . 9 1 1 A 15 15 ALA N N 15 121.660 122.737 -1.077 1 1 187 . 9 1 1 A 16 16 PHE H H 16 8.700 8.056 0.644 1 1 188 . 9 1 1 A 16 16 PHE HA H 16 3.190 3.647 -0.457 1 1 196 . 9 1 1 A 16 16 PHE C C 16 176.350 178.352 -2.002 1 1 197 . 9 1 1 A 16 16 PHE CA C 16 62.300 59.737 2.563 1 1 198 . 9 1 1 A 16 16 PHE CB C 16 39.800 37.881 1.919 1 1 204 . 9 1 1 A 16 16 PHE N N 16 118.400 116.309 2.091 1 1 205 . 9 1 1 A 17 17 SER H H 17 8.040 7.975 0.065 1 1 206 . 9 1 1 A 17 17 SER HA H 17 4.110 4.086 0.024 1 1 209 . 9 1 1 A 17 17 SER C C 17 178.820 177.087 1.733 1 1 210 . 9 1 1 A 17 17 SER CA C 17 61.600 61.474 0.126 1 1 211 . 9 1 1 A 17 17 SER CB C 17 63.200 62.834 0.366 1 1 212 . 9 1 1 A 17 17 SER N N 17 114.290 116.460 -2.170 1 1 213 . 9 1 1 A 18 18 LEU H H 18 7.440 7.269 0.171 1 1 214 . 9 1 1 A 18 18 LEU HA H 18 3.970 3.965 0.005 1 1 224 . 9 1 1 A 18 18 LEU C C 18 178.630 178.248 0.382 1 1 225 . 9 1 1 A 18 18 LEU CA C 18 56.800 57.422 -0.622 1 1 226 . 9 1 1 A 18 18 LEU CB C 18 42.600 41.641 0.959 1 1 230 . 9 1 1 A 18 18 LEU N N 18 118.200 122.113 -3.913 1 1 231 . 9 1 1 A 19 19 PHE H H 19 7.330 6.377 0.953 1 1 232 . 9 1 1 A 19 19 PHE HA H 19 3.950 4.648 -0.698 1 1 240 . 9 1 1 A 19 19 PHE C C 19 174.460 175.350 -0.890 1 1 241 . 9 1 1 A 19 19 PHE CA C 19 59.300 57.089 2.211 1 1 242 . 9 1 1 A 19 19 PHE CB C 19 41.800 39.733 2.067 1 1 248 . 9 1 1 A 19 19 PHE N N 19 114.900 112.937 1.963 1 1 249 . 9 1 1 A 20 20 ASP H H 20 7.780 6.856 0.924 1 1 250 . 9 1 1 A 20 20 ASP HA H 20 4.480 5.087 -0.607 1 1 253 . 9 1 1 A 20 20 ASP C C 20 176.700 175.881 0.819 1 1 254 . 9 1 1 A 20 20 ASP CA C 20 52.400 53.382 -0.982 1 1 255 . 9 1 1 A 20 20 ASP CB C 20 39.400 39.198 0.202 1 1 256 . 9 1 1 A 20 20 ASP N N 20 117.700 122.201 -4.501 1 1 257 . 9 1 1 A 21 21 LYS H H 21 7.480 8.158 -0.678 1 1 258 . 9 1 1 A 21 21 LYS HA H 21 3.840 3.944 -0.104 1 1 267 . 9 1 1 A 21 21 LYS C C 21 175.550 177.320 -1.770 1 1 268 . 9 1 1 A 21 21 LYS CA C 21 58.300 59.411 -1.111 1 1 269 . 9 1 1 A 21 21 LYS CB C 21 32.600 32.578 0.022 1 1 273 . 9 1 1 A 21 21 LYS N N 21 124.200 125.976 -1.776 1 1 274 . 9 1 1 A 22 22 ASP H H 22 7.910 7.951 -0.041 1 1 275 . 9 1 1 A 22 22 ASP HA H 22 4.460 4.638 -0.178 1 1 278 . 9 1 1 A 22 22 ASP C C 22 176.920 177.740 -0.820 1 1 279 . 9 1 1 A 22 22 ASP CA C 22 53.400 53.085 0.315 1 1 280 . 9 1 1 A 22 22 ASP CB C 22 39.800 39.792 0.008 1 1 281 . 9 1 1 A 22 22 ASP N N 22 113.500 115.262 -1.762 1 1 282 . 9 1 1 A 23 23 GLY H H 23 7.540 7.990 -0.450 1 1 283 . 9 1 1 A 23 23 GLY HA2 H 23 3.730 3.860 -0.130 1 1 284 . 9 1 1 A 23 23 GLY HA3 H 23 3.730 3.862 -0.132 1 1 285 . 9 1 1 A 23 23 GLY C C 23 178.030 175.123 2.907 1 1 286 . 9 1 1 A 23 23 GLY CA C 23 47.400 47.235 0.165 1 1 287 . 9 1 1 A 23 23 GLY N N 23 109.200 108.938 0.262 1 1 288 . 9 1 1 A 24 24 ASP H H 24 8.430 7.786 0.644 1 1 289 . 9 1 1 A 24 24 ASP HA H 24 4.410 4.585 -0.175 1 1 292 . 9 1 1 A 24 24 ASP C C 24 177.580 177.562 0.018 1 1 293 . 9 1 1 A 24 24 ASP CA C 24 53.770 53.571 0.199 1 1 294 . 9 1 1 A 24 24 ASP CB C 24 40.200 40.361 -0.161 1 1 295 . 9 1 1 A 24 24 ASP N N 24 120.700 120.593 0.107 1 1 296 . 9 1 1 A 25 25 GLY H H 25 10.370 9.525 0.845 1 1 297 . 9 1 1 A 25 25 GLY HA2 H 25 4.240 3.973 0.267 1 1 298 . 9 1 1 A 25 25 GLY HA3 H 25 3.610 3.988 -0.378 1 1 299 . 9 1 1 A 25 25 GLY C C 25 175.160 173.597 1.563 1 1 300 . 9 1 1 A 25 25 GLY CA C 25 45.300 45.449 -0.149 1 1 301 . 9 1 1 A 25 25 GLY N N 25 112.100 112.090 0.010 1 1 302 . 9 1 1 A 26 26 THR H H 26 8.060 7.846 0.214 1 1 303 . 9 1 1 A 26 26 THR HA H 26 5.430 5.004 0.426 1 1 308 . 9 1 1 A 26 26 THR C C 26 177.260 173.313 3.947 1 1 309 . 9 1 1 A 26 26 THR CA C 26 59.500 58.695 0.805 1 1 310 . 9 1 1 A 26 26 THR CB C 26 72.800 73.274 -0.474 1 1 312 . 9 1 1 A 26 26 THR N N 26 110.950 109.736 1.214 1 1 313 . 9 1 1 A 27 27 ILE H H 27 9.890 8.553 1.337 1 1 314 . 9 1 1 A 27 27 ILE HA H 27 4.680 5.065 -0.385 1 1 324 . 9 1 1 A 27 27 ILE C C 27 173.810 175.677 -1.867 1 1 325 . 9 1 1 A 27 27 ILE CA C 27 61.250 60.727 0.523 1 1 326 . 9 1 1 A 27 27 ILE CB C 27 40.700 38.506 2.194 1 1 330 . 9 1 1 A 27 27 ILE N N 27 125.400 124.409 0.991 1 1 331 . 9 1 1 A 28 28 THR H H 28 8.290 8.998 -0.708 1 1 332 . 9 1 1 A 28 28 THR HA H 28 4.680 4.932 -0.252 1 1 337 . 9 1 1 A 28 28 THR C C 28 173.550 176.085 -2.535 1 1 338 . 9 1 1 A 28 28 THR CA C 28 59.200 59.435 -0.235 1 1 339 . 9 1 1 A 28 28 THR CB C 28 72.600 72.110 0.490 1 1 341 . 9 1 1 A 28 28 THR N N 28 116.000 117.876 -1.876 1 1 342 . 9 1 1 A 29 29 THR H H 29 9.180 8.868 0.312 1 1 343 . 9 1 1 A 29 29 THR HA H 29 3.570 3.892 -0.322 1 1 348 . 9 1 1 A 29 29 THR C C 29 176.080 176.884 -0.804 1 1 349 . 9 1 1 A 29 29 THR CA C 29 66.100 66.619 -0.519 1 1 350 . 9 1 1 A 29 29 THR CB C 29 67.650 68.316 -0.666 1 1 352 . 9 1 1 A 29 29 THR N N 29 111.440 114.963 -3.523 1 1 353 . 9 1 1 A 30 30 LYS H H 30 7.340 8.184 -0.844 1 1 354 . 9 1 1 A 30 30 LYS HA H 30 3.960 3.932 0.028 1 1 363 . 9 1 1 A 30 30 LYS C C 30 176.660 179.023 -2.363 1 1 364 . 9 1 1 A 30 30 LYS CA C 30 59.100 59.686 -0.586 1 1 365 . 9 1 1 A 30 30 LYS CB C 30 32.700 32.149 0.551 1 1 369 . 9 1 1 A 30 30 LYS N N 30 120.350 121.790 -1.440 1 1 370 . 9 1 1 A 31 31 GLU H H 31 7.760 8.336 -0.576 1 1 371 . 9 1 1 A 31 31 GLU HA H 31 4.000 4.128 -0.128 1 1 376 . 9 1 1 A 31 31 GLU C C 31 177.230 179.009 -1.779 1 1 377 . 9 1 1 A 31 31 GLU CA C 31 59.600 58.955 0.645 1 1 378 . 9 1 1 A 31 31 GLU CB C 31 29.600 28.485 1.115 1 1 380 . 9 1 1 A 31 31 GLU N N 31 122.300 117.603 4.697 1 1 381 . 9 1 1 A 32 32 LEU H H 32 8.370 8.147 0.223 1 1 382 . 9 1 1 A 32 32 LEU HA H 32 4.060 3.873 0.187 1 1 392 . 9 1 1 A 32 32 LEU C C 32 179.400 178.700 0.700 1 1 393 . 9 1 1 A 32 32 LEU CA C 32 57.550 57.872 -0.322 1 1 394 . 9 1 1 A 32 32 LEU CB C 32 41.700 41.974 -0.274 1 1 398 . 9 1 1 A 32 32 LEU N N 32 120.100 123.167 -3.067 1 1 399 . 9 1 1 A 33 33 GLY H H 33 8.650 8.028 0.622 1 1 400 . 9 1 1 A 33 33 GLY HA2 H 33 3.450 3.809 -0.359 1 1 401 . 9 1 1 A 33 33 GLY HA3 H 33 3.800 3.810 -0.010 1 1 402 . 9 1 1 A 33 33 GLY C C 33 179.640 176.202 3.438 1 1 403 . 9 1 1 A 33 33 GLY CA C 33 48.300 47.723 0.577 1 1 404 . 9 1 1 A 33 33 GLY N N 33 105.700 106.163 -0.463 1 1 405 . 9 1 1 A 34 34 THR H H 34 8.070 7.923 0.147 1 1 406 . 9 1 1 A 34 34 THR HA H 34 3.790 4.014 -0.224 1 1 411 . 9 1 1 A 34 34 THR C C 34 178.670 176.039 2.631 1 1 412 . 9 1 1 A 34 34 THR CA C 34 67.300 67.052 0.248 1 1 413 . 9 1 1 A 34 34 THR CB C 34 68.700 68.626 0.074 1 1 415 . 9 1 1 A 34 34 THR N N 34 118.140 118.737 -0.597 1 1 416 . 9 1 1 A 35 35 VAL H H 35 7.510 7.750 -0.240 1 1 417 . 9 1 1 A 35 35 VAL HA H 35 3.480 3.547 -0.067 1 1 425 . 9 1 1 A 35 35 VAL C C 35 175.050 177.702 -2.652 1 1 426 . 9 1 1 A 35 35 VAL CA C 35 66.500 66.724 -0.224 1 1 427 . 9 1 1 A 35 35 VAL CB C 35 31.400 31.356 0.044 1 1 430 . 9 1 1 A 35 35 VAL N N 35 121.400 121.894 -0.494 1 1 431 . 9 1 1 A 36 36 MET H H 36 8.530 8.020 0.510 1 1 432 . 9 1 1 A 36 36 MET HA H 36 3.590 4.111 -0.521 1 1 440 . 9 1 1 A 36 36 MET C C 36 177.410 177.913 -0.503 1 1 441 . 9 1 1 A 36 36 MET CA C 36 61.900 58.545 3.355 1 1 442 . 9 1 1 A 36 36 MET CB C 36 32.600 31.134 1.466 1 1 445 . 9 1 1 A 36 36 MET N N 36 118.970 118.200 0.770 1 1 446 . 9 1 1 A 37 37 ARG H H 37 8.600 8.323 0.277 1 1 447 . 9 1 1 A 37 37 ARG HA H 37 4.720 4.189 0.531 1 1 454 . 9 1 1 A 37 37 ARG C C 37 179.250 178.807 0.443 1 1 455 . 9 1 1 A 37 37 ARG CA C 37 59.450 59.361 0.089 1 1 456 . 9 1 1 A 37 37 ARG CB C 37 30.200 30.133 0.067 1 1 459 . 9 1 1 A 37 37 ARG N N 37 118.400 120.324 -1.924 1 1 460 . 9 1 1 A 38 38 SER H H 38 7.830 8.065 -0.235 1 1 461 . 9 1 1 A 38 38 SER HA H 38 4.240 4.312 -0.072 1 1 464 . 9 1 1 A 38 38 SER C C 38 178.480 176.673 1.807 1 1 465 . 9 1 1 A 38 38 SER CA C 38 62.100 61.323 0.777 1 1 466 . 9 1 1 A 38 38 SER CB C 38 63.400 62.962 0.438 1 1 467 . 9 1 1 A 38 38 SER N N 38 119.400 115.356 4.044 1 1 468 . 9 1 1 A 39 39 LEU H H 39 7.280 8.144 -0.864 1 1 469 . 9 1 1 A 39 39 LEU HA H 39 4.360 4.463 -0.103 1 1 479 . 9 1 1 A 39 39 LEU C C 39 178.240 176.739 1.501 1 1 480 . 9 1 1 A 39 39 LEU CA C 39 54.300 55.545 -1.245 1 1 481 . 9 1 1 A 39 39 LEU CB C 39 42.100 42.807 -0.707 1 1 485 . 9 1 1 A 39 39 LEU N N 39 119.950 123.577 -3.627 1 1 486 . 9 1 1 A 40 40 GLY H H 40 7.740 8.373 -0.633 1 1 487 . 9 1 1 A 40 40 GLY HA2 H 40 4.140 3.922 0.218 1 1 488 . 9 1 1 A 40 40 GLY HA3 H 40 3.650 3.926 -0.276 1 1 489 . 9 1 1 A 40 40 GLY C C 40 176.140 173.684 2.456 1 1 490 . 9 1 1 A 40 40 GLY CA C 40 45.300 45.671 -0.371 1 1 491 . 9 1 1 A 40 40 GLY N N 40 105.750 108.237 -2.487 1 1 492 . 9 1 1 A 41 41 GLN H H 41 7.710 7.880 -0.170 1 1 493 . 9 1 1 A 41 41 GLN HA H 41 4.360 4.814 -0.454 1 1 500 . 9 1 1 A 41 41 GLN C C 41 176.700 174.273 2.427 1 1 501 . 9 1 1 A 41 41 GLN CA C 41 54.900 53.862 1.038 1 1 502 . 9 1 1 A 41 41 GLN CB C 41 29.600 31.760 -2.160 1 1 504 . 9 1 1 A 41 41 GLN N N 41 118.400 118.977 -0.577 1 1 506 . 9 1 1 A 42 42 ASN H H 42 8.640 8.769 -0.129 1 1 507 . 9 1 1 A 42 42 ASN HA H 42 5.150 5.323 -0.173 1 1 512 . 9 1 1 A 42 42 ASN CA C 42 51.200 50.639 0.561 1 1 513 . 9 1 1 A 42 42 ASN CB C 42 39.500 38.606 0.894 1 1 514 . 9 1 1 A 42 42 ASN N N 42 115.610 117.839 -2.229 1 1 516 . 9 1 1 A 43 43 PRO HA H 43 4.540 4.663 -0.123 1 1 523 . 9 1 1 A 43 43 PRO C C 43 179.440 176.483 2.957 1 1 524 . 9 1 1 A 43 43 PRO CA C 43 62.450 62.594 -0.144 1 1 525 . 9 1 1 A 43 43 PRO CB C 43 31.500 32.024 -0.524 1 1 528 . 9 1 1 A 44 44 THR H H 44 8.660 8.471 0.189 1 1 529 . 9 1 1 A 44 44 THR HA H 44 4.340 4.545 -0.205 1 1 534 . 9 1 1 A 44 44 THR CA C 44 60.450 61.339 -0.889 1 1 535 . 9 1 1 A 44 44 THR CB C 44 71.400 69.916 1.484 1 1 537 . 9 1 1 A 44 44 THR N N 44 112.600 116.813 -4.213 1 1 538 . 9 1 1 A 45 45 GLU H H 45 8.720 9.057 -0.337 1 1 539 . 9 1 1 A 45 45 GLU HA H 45 3.870 4.038 -0.168 1 1 544 . 9 1 1 A 45 45 GLU C C 45 174.270 178.581 -4.311 1 1 545 . 9 1 1 A 45 45 GLU CA C 45 59.900 59.316 0.584 1 1 546 . 9 1 1 A 45 45 GLU CB C 45 29.200 29.180 0.020 1 1 548 . 9 1 1 A 45 45 GLU N N 45 120.150 124.370 -4.220 1 1 549 . 9 1 1 A 46 46 ALA H H 46 8.200 8.366 -0.166 1 1 550 . 9 1 1 A 46 46 ALA HA H 46 3.980 4.038 -0.058 1 1 554 . 9 1 1 A 46 46 ALA C C 46 175.180 180.004 -4.824 1 1 555 . 9 1 1 A 46 46 ALA CA C 46 55.100 54.864 0.236 1 1 556 . 9 1 1 A 46 46 ALA CB C 46 18.300 18.232 0.068 1 1 557 . 9 1 1 A 46 46 ALA N N 46 120.450 121.948 -1.498 1 1 558 . 9 1 1 A 47 47 GLU H H 47 7.630 7.770 -0.140 1 1 559 . 9 1 1 A 47 47 GLU HA H 47 3.890 4.125 -0.235 1 1 564 . 9 1 1 A 47 47 GLU C C 47 179.020 178.850 0.170 1 1 565 . 9 1 1 A 47 47 GLU CA C 47 59.500 58.835 0.665 1 1 566 . 9 1 1 A 47 47 GLU CB C 47 29.600 29.321 0.279 1 1 568 . 9 1 1 A 47 47 GLU N N 47 118.320 118.490 -0.170 1 1 569 . 9 1 1 A 48 48 LEU H H 48 7.880 8.153 -0.273 1 1 570 . 9 1 1 A 48 48 LEU HA H 48 3.790 3.960 -0.170 1 1 580 . 9 1 1 A 48 48 LEU C C 48 180.200 179.899 0.301 1 1 581 . 9 1 1 A 48 48 LEU CA C 48 58.150 57.938 0.212 1 1 582 . 9 1 1 A 48 48 LEU CB C 48 42.800 41.630 1.170 1 1 586 . 9 1 1 A 48 48 LEU N N 48 119.000 120.017 -1.017 1 1 587 . 9 1 1 A 49 49 GLN H H 49 8.080 8.278 -0.198 1 1 588 . 9 1 1 A 49 49 GLN HA H 49 3.630 3.992 -0.362 1 1 595 . 9 1 1 A 49 49 GLN C C 49 177.680 178.198 -0.518 1 1 596 . 9 1 1 A 49 49 GLN CA C 49 58.600 59.010 -0.410 1 1 597 . 9 1 1 A 49 49 GLN CB C 49 28.500 28.534 -0.034 1 1 599 . 9 1 1 A 49 49 GLN N N 49 117.400 118.977 -1.577 1 1 601 . 9 1 1 A 50 50 ASP H H 50 7.960 8.248 -0.288 1 1 602 . 9 1 1 A 50 50 ASP HA H 50 4.300 4.336 -0.036 1 1 605 . 9 1 1 A 50 50 ASP C C 50 178.470 179.156 -0.686 1 1 606 . 9 1 1 A 50 50 ASP CA C 50 57.700 57.592 0.108 1 1 607 . 9 1 1 A 50 50 ASP CB C 50 40.600 40.517 0.083 1 1 608 . 9 1 1 A 50 50 ASP N N 50 119.050 120.137 -1.087 1 1 609 . 9 1 1 A 51 51 MET H H 51 7.750 8.282 -0.532 1 1 610 . 9 1 1 A 51 51 MET HA H 51 4.000 4.194 -0.194 1 1 618 . 9 1 1 A 51 51 MET C C 51 178.170 178.644 -0.474 1 1 619 . 9 1 1 A 51 51 MET CA C 51 59.500 58.434 1.066 1 1 620 . 9 1 1 A 51 51 MET CB C 51 34.700 32.964 1.736 1 1 623 . 9 1 1 A 51 51 MET N N 51 117.900 118.389 -0.489 1 1 624 . 9 1 1 A 52 52 ILE H H 52 7.580 7.777 -0.197 1 1 625 . 9 1 1 A 52 52 ILE HA H 52 3.620 3.602 0.018 1 1 635 . 9 1 1 A 52 52 ILE C C 52 178.690 177.816 0.874 1 1 636 . 9 1 1 A 52 52 ILE CA C 52 63.600 65.408 -1.808 1 1 637 . 9 1 1 A 52 52 ILE CB C 52 36.700 37.902 -1.202 1 1 641 . 9 1 1 A 52 52 ILE N N 52 116.850 118.854 -2.004 1 1 642 . 9 1 1 A 53 53 ASN H H 53 8.570 8.352 0.218 1 1 643 . 9 1 1 A 53 53 ASN HA H 53 4.310 4.429 -0.119 1 1 648 . 9 1 1 A 53 53 ASN CA C 53 56.400 56.489 -0.089 1 1 649 . 9 1 1 A 53 53 ASN CB C 53 38.300 37.944 0.356 1 1 650 . 9 1 1 A 53 53 ASN N N 53 116.900 118.445 -1.545 1 1 652 . 9 1 1 A 54 54 GLU H H 54 7.520 7.905 -0.385 1 1 653 . 9 1 1 A 54 54 GLU HA H 54 3.950 4.124 -0.174 1 1 658 . 9 1 1 A 54 54 GLU C C 54 178.070 178.524 -0.454 1 1 659 . 9 1 1 A 54 54 GLU CA C 54 59.000 58.923 0.077 1 1 660 . 9 1 1 A 54 54 GLU CB C 54 29.800 29.604 0.196 1 1 662 . 9 1 1 A 54 54 GLU N N 54 115.650 119.419 -3.769 1 1 663 . 9 1 1 A 55 55 VAL H H 55 7.020 7.190 -0.170 1 1 664 . 9 1 1 A 55 55 VAL HA H 55 4.110 4.017 0.093 1 1 672 . 9 1 1 A 55 55 VAL C C 55 177.890 176.437 1.453 1 1 673 . 9 1 1 A 55 55 VAL CA C 55 61.210 64.679 -3.469 1 1 674 . 9 1 1 A 55 55 VAL CB C 55 33.100 32.072 1.028 1 1 677 . 9 1 1 A 55 55 VAL N N 55 111.500 119.181 -7.681 1 1 678 . 9 1 1 A 56 56 ASP H H 56 7.460 7.978 -0.518 1 1 679 . 9 1 1 A 56 56 ASP HA H 56 4.360 4.641 -0.281 1 1 682 . 9 1 1 A 56 56 ASP C C 56 177.620 176.657 0.963 1 1 683 . 9 1 1 A 56 56 ASP CA C 56 53.550 53.604 -0.054 1 1 684 . 9 1 1 A 56 56 ASP CB C 56 40.600 40.426 0.174 1 1 685 . 9 1 1 A 56 56 ASP N N 56 121.330 121.706 -0.376 1 1 686 . 9 1 1 A 57 57 ALA H H 57 7.780 8.259 -0.479 1 1 687 . 9 1 1 A 57 57 ALA HA H 57 4.080 4.066 0.014 1 1 691 . 9 1 1 A 57 57 ALA C C 57 175.320 178.275 -2.955 1 1 692 . 9 1 1 A 57 57 ALA CA C 57 55.000 55.104 -0.104 1 1 693 . 9 1 1 A 57 57 ALA CB C 57 19.800 18.541 1.259 1 1 694 . 9 1 1 A 57 57 ALA N N 57 130.400 128.128 2.272 1 1 695 . 9 1 1 A 58 58 ASP H H 58 8.140 7.950 0.190 1 1 696 . 9 1 1 A 58 58 ASP HA H 58 4.540 4.585 -0.045 1 1 699 . 9 1 1 A 58 58 ASP C C 58 176.130 177.521 -1.391 1 1 700 . 9 1 1 A 58 58 ASP CA C 58 52.950 53.206 -0.256 1 1 701 . 9 1 1 A 58 58 ASP CB C 58 40.100 40.041 0.059 1 1 702 . 9 1 1 A 58 58 ASP N N 58 113.200 113.188 0.012 1 1 703 . 9 1 1 A 59 59 GLY H H 59 7.530 7.689 -0.159 1 1 704 . 9 1 1 A 59 59 GLY HA2 H 59 3.700 3.920 -0.220 1 1 705 . 9 1 1 A 59 59 GLY HA3 H 59 3.820 3.921 -0.101 1 1 706 . 9 1 1 A 59 59 GLY C C 59 178.830 175.288 3.542 1 1 707 . 9 1 1 A 59 59 GLY CA C 59 47.450 46.968 0.482 1 1 708 . 9 1 1 A 59 59 GLY N N 59 108.180 109.282 -1.102 1 1 709 . 9 1 1 A 60 60 ASN H H 60 8.080 8.577 -0.497 1 1 710 . 9 1 1 A 60 60 ASN HA H 60 4.500 4.687 -0.187 1 1 715 . 9 1 1 A 60 60 ASN CA C 60 52.900 52.594 0.306 1 1 716 . 9 1 1 A 60 60 ASN CB C 60 37.900 37.881 0.019 1 1 717 . 9 1 1 A 60 60 ASN N N 60 118.700 118.541 0.159 1 1 719 . 9 1 1 A 61 61 GLY H H 61 10.640 10.152 0.488 1 1 720 . 9 1 1 A 61 61 GLY HA2 H 61 3.370 3.890 -0.520 1 1 721 . 9 1 1 A 61 61 GLY HA3 H 61 4.190 3.893 0.297 1 1 722 . 9 1 1 A 61 61 GLY C C 61 174.970 173.449 1.521 1 1 723 . 9 1 1 A 61 61 GLY CA C 61 45.300 45.385 -0.085 1 1 724 . 9 1 1 A 61 61 GLY N N 61 113.400 111.996 1.404 1 1 725 . 9 1 1 A 62 62 THR H H 62 7.550 7.777 -0.227 1 1 726 . 9 1 1 A 62 62 THR HA H 62 4.620 4.957 -0.337 1 1 731 . 9 1 1 A 62 62 THR C C 62 176.870 172.676 4.194 1 1 732 . 9 1 1 A 62 62 THR CA C 62 59.550 59.712 -0.162 1 1 733 . 9 1 1 A 62 62 THR CB C 62 72.500 72.636 -0.136 1 1 735 . 9 1 1 A 62 62 THR N N 62 107.860 109.836 -1.976 1 1 736 . 9 1 1 A 63 63 ILE H H 63 8.790 8.501 0.289 1 1 737 . 9 1 1 A 63 63 ILE HA H 63 5.280 5.115 0.165 1 1 747 . 9 1 1 A 63 63 ILE C C 63 173.250 175.303 -2.053 1 1 748 . 9 1 1 A 63 63 ILE CA C 63 57.600 59.823 -2.223 1 1 749 . 9 1 1 A 63 63 ILE CB C 63 39.400 39.913 -0.513 1 1 753 . 9 1 1 A 63 63 ILE N N 63 123.900 121.479 2.421 1 1 754 . 9 1 1 A 64 64 ASP H H 64 8.720 8.695 0.025 1 1 755 . 9 1 1 A 64 64 ASP HA H 64 5.350 5.120 0.230 1 1 758 . 9 1 1 A 64 64 ASP C C 64 172.850 176.336 -3.486 1 1 759 . 9 1 1 A 64 64 ASP CA C 64 52.100 52.210 -0.110 1 1 760 . 9 1 1 A 64 64 ASP CB C 64 42.150 42.281 -0.131 1 1 761 . 9 1 1 A 64 64 ASP N N 64 127.860 128.104 -0.244 1 1 762 . 9 1 1 A 65 65 PHE H H 65 8.840 9.168 -0.328 1 1 763 . 9 1 1 A 65 65 PHE HA H 65 3.890 4.816 -0.926 1 1 771 . 9 1 1 A 65 65 PHE C C 65 175.750 174.575 1.175 1 1 772 . 9 1 1 A 65 65 PHE CA C 65 63.300 63.255 0.045 1 1 773 . 9 1 1 A 65 65 PHE CB C 65 36.100 37.489 -1.389 1 1 779 . 9 1 1 A 65 65 PHE N N 65 117.500 119.375 -1.875 1 1 780 . 9 1 1 A 66 66 PRO HA H 66 3.770 4.385 -0.615 1 1 787 . 9 1 1 A 66 66 PRO C C 66 175.840 179.411 -3.571 1 1 788 . 9 1 1 A 66 66 PRO CA C 66 67.100 66.468 0.632 1 1 789 . 9 1 1 A 66 66 PRO CB C 66 30.700 30.699 0.001 1 1 792 . 9 1 1 A 67 67 GLU H H 67 8.340 8.474 -0.134 1 1 793 . 9 1 1 A 67 67 GLU HA H 67 3.920 4.145 -0.225 1 1 798 . 9 1 1 A 67 67 GLU CA C 67 59.400 59.195 0.205 1 1 799 . 9 1 1 A 67 67 GLU CB C 67 29.650 29.189 0.461 1 1 801 . 9 1 1 A 67 67 GLU N N 67 117.850 117.764 0.086 1 1 802 . 9 1 1 A 68 68 PHE H H 68 8.630 8.732 -0.102 1 1 803 . 9 1 1 A 68 68 PHE HA H 68 3.670 4.191 -0.521 1 1 811 . 9 1 1 A 68 68 PHE C C 68 174.810 177.448 -2.638 1 1 812 . 9 1 1 A 68 68 PHE CA C 68 61.400 61.366 0.034 1 1 813 . 9 1 1 A 68 68 PHE CB C 68 40.700 39.366 1.334 1 1 819 . 9 1 1 A 68 68 PHE N N 68 123.200 123.421 -0.221 1 1 820 . 9 1 1 A 69 69 LEU H H 69 8.800 8.777 0.023 1 1 821 . 9 1 1 A 69 69 LEU HA H 69 3.130 4.001 -0.871 1 1 831 . 9 1 1 A 69 69 LEU C C 69 179.310 179.005 0.305 1 1 832 . 9 1 1 A 69 69 LEU CA C 69 58.000 58.307 -0.307 1 1 833 . 9 1 1 A 69 69 LEU CB C 69 41.550 41.733 -0.183 1 1 837 . 9 1 1 A 69 69 LEU N N 69 119.930 120.176 -0.246 1 1 838 . 9 1 1 A 70 70 THR H H 70 7.550 7.717 -0.167 1 1 839 . 9 1 1 A 70 70 THR HA H 70 3.530 3.807 -0.277 1 1 844 . 9 1 1 A 70 70 THR C C 70 180.360 176.967 3.393 1 1 845 . 9 1 1 A 70 70 THR CA C 70 66.700 66.880 -0.180 1 1 846 . 9 1 1 A 70 70 THR CB C 70 68.500 68.235 0.265 1 1 848 . 9 1 1 A 70 70 THR N N 70 114.730 114.724 0.006 1 1 849 . 9 1 1 A 71 71 MET H H 71 7.000 8.007 -1.007 1 1 850 . 9 1 1 A 71 71 MET HA H 71 3.640 4.131 -0.491 1 1 858 . 9 1 1 A 71 71 MET C C 71 176.750 178.380 -1.630 1 1 859 . 9 1 1 A 71 71 MET CA C 71 58.800 58.068 0.732 1 1 860 . 9 1 1 A 71 71 MET CB C 71 32.000 32.373 -0.373 1 1 863 . 9 1 1 A 71 71 MET N N 71 119.750 118.175 1.575 1 1 864 . 9 1 1 A 72 72 MET H H 72 7.810 8.016 -0.206 1 1 865 . 9 1 1 A 72 72 MET HA H 72 3.880 4.187 -0.307 1 1 873 . 9 1 1 A 72 72 MET C C 72 174.850 178.247 -3.397 1 1 874 . 9 1 1 A 72 72 MET CA C 72 55.100 59.080 -3.980 1 1 875 . 9 1 1 A 72 72 MET CB C 72 28.900 33.162 -4.262 1 1 878 . 9 1 1 A 72 72 MET N N 72 115.300 118.575 -3.275 1 1 879 . 9 1 1 A 73 73 ALA H H 73 7.880 8.250 -0.370 1 1 880 . 9 1 1 A 73 73 ALA HA H 73 3.990 4.010 -0.020 1 1 884 . 9 1 1 A 73 73 ALA C C 73 177.940 178.861 -0.921 1 1 885 . 9 1 1 A 73 73 ALA CA C 73 53.900 55.289 -1.389 1 1 886 . 9 1 1 A 73 73 ALA CB C 73 18.600 18.288 0.312 1 1 887 . 9 1 1 A 73 73 ALA N N 73 120.000 121.017 -1.017 1 1 888 . 9 1 1 A 74 74 ARG H H 74 7.050 7.194 -0.144 1 1 889 . 9 1 1 A 74 74 ARG HA H 74 4.040 4.367 -0.327 1 1 896 . 9 1 1 A 74 74 ARG C C 74 178.910 176.488 2.422 1 1 897 . 9 1 1 A 74 74 ARG CA C 74 57.400 56.432 0.968 1 1 898 . 9 1 1 A 74 74 ARG CB C 74 30.900 30.595 0.305 1 1 901 . 9 1 1 A 74 74 ARG N N 74 115.850 115.571 0.279 1 1 902 . 9 1 1 A 75 75 LYS H H 75 7.820 7.419 0.401 1 1 903 . 9 1 1 A 75 75 LYS HA H 75 4.200 4.517 -0.317 1 1 912 . 9 1 1 A 75 75 LYS C C 75 178.770 176.263 2.507 1 1 913 . 9 1 1 A 75 75 LYS CA C 75 55.900 55.011 0.889 1 1 914 . 9 1 1 A 75 75 LYS CB C 75 32.600 30.405 2.195 1 1 918 . 9 1 1 A 75 75 LYS N N 75 119.600 119.944 -0.344 1 1 919 . 9 1 1 A 76 76 MET H H 76 8.100 8.267 -0.167 1 1 920 . 9 1 1 A 76 76 MET HA H 76 4.300 4.829 -0.529 1 1 928 . 9 1 1 A 76 76 MET C C 76 176.990 175.915 1.075 1 1 929 . 9 1 1 A 76 76 MET CA C 76 55.800 54.002 1.798 1 1 930 . 9 1 1 A 76 76 MET CB C 76 33.800 32.589 1.211 1 1 933 . 9 1 1 A 76 76 MET N N 76 122.300 123.779 -1.479 1 1 934 . 9 1 1 A 77 77 LYS H H 77 8.150 7.606 0.544 1 1 935 . 9 1 1 A 77 77 LYS HA H 77 4.210 4.108 0.102 1 1 944 . 9 1 1 A 77 77 LYS C C 77 176.890 175.604 1.286 1 1 945 . 9 1 1 A 77 77 LYS CA C 77 56.100 56.884 -0.784 1 1 946 . 9 1 1 A 77 77 LYS CB C 77 33.000 32.802 0.198 1 1 950 . 9 1 1 A 77 77 LYS N N 77 121.300 122.354 -1.054 1 1 951 . 9 1 1 A 78 78 ASP H H 78 8.240 8.619 -0.379 1 1 952 . 9 1 1 A 78 78 ASP HA H 78 4.500 5.191 -0.691 1 1 955 . 9 1 1 A 78 78 ASP C C 78 176.090 175.605 0.485 1 1 956 . 9 1 1 A 78 78 ASP CA C 78 54.700 52.980 1.720 1 1 957 . 9 1 1 A 78 78 ASP CB C 78 41.300 41.852 -0.552 1 1 958 . 9 1 1 A 78 78 ASP N N 78 122.200 125.078 -2.878 1 1 959 . 9 1 1 A 79 79 THR H H 79 8.150 8.471 -0.321 1 1 960 . 9 1 1 A 79 79 THR HA H 79 4.220 4.995 -0.775 1 1 965 . 9 1 1 A 79 79 THR C C 79 176.240 173.298 2.942 1 1 966 . 9 1 1 A 79 79 THR CA C 79 61.500 60.675 0.825 1 1 967 . 9 1 1 A 79 79 THR CB C 79 70.300 69.934 0.366 1 1 969 . 9 1 1 A 79 79 THR N N 79 114.940 115.807 -0.867 1 1 970 . 9 1 1 A 80 80 ASP H H 80 8.480 8.598 -0.118 1 1 971 . 9 1 1 A 80 80 ASP HA H 80 4.600 4.688 -0.088 1 1 974 . 9 1 1 A 80 80 ASP C C 80 176.230 177.364 -1.134 1 1 975 . 9 1 1 A 80 80 ASP CA C 80 54.100 54.755 -0.655 1 1 976 . 9 1 1 A 80 80 ASP CB C 80 41.600 42.463 -0.863 1 1 977 . 9 1 1 A 80 80 ASP N N 80 123.800 127.905 -4.105 1 1 978 . 9 1 1 A 81 81 SER H H 81 8.500 9.016 -0.516 1 1 979 . 9 1 1 A 81 81 SER HA H 81 4.220 4.094 0.126 1 1 982 . 9 1 1 A 81 81 SER C C 81 173.900 176.638 -2.738 1 1 983 . 9 1 1 A 81 81 SER CA C 81 60.400 61.703 -1.303 1 1 984 . 9 1 1 A 81 81 SER CB C 81 63.700 62.698 1.002 1 1 985 . 9 1 1 A 81 81 SER N N 81 118.450 122.667 -4.217 1 1 986 . 9 1 1 A 82 82 GLU H H 82 8.430 8.041 0.389 1 1 987 . 9 1 1 A 82 82 GLU HA H 82 4.010 4.169 -0.159 1 1 992 . 9 1 1 A 82 82 GLU C C 82 176.370 179.352 -2.982 1 1 993 . 9 1 1 A 82 82 GLU CA C 82 59.100 59.293 -0.193 1 1 994 . 9 1 1 A 82 82 GLU CB C 82 29.600 29.093 0.507 1 1 996 . 9 1 1 A 82 82 GLU N N 82 121.850 120.903 0.947 1 1 997 . 9 1 1 A 83 83 GLU H H 83 8.020 8.930 -0.910 1 1 998 . 9 1 1 A 83 83 GLU HA H 83 4.040 4.035 0.005 1 1 1003 . 9 1 1 A 83 83 GLU C C 83 175.890 178.473 -2.583 1 1 1004 . 9 1 1 A 83 83 GLU CA C 83 58.800 59.506 -0.706 1 1 1005 . 9 1 1 A 83 83 GLU CB C 83 29.400 29.251 0.149 1 1 1007 . 9 1 1 A 83 83 GLU N N 83 119.470 119.790 -0.320 1 1 1008 . 9 1 1 A 84 84 GLU H H 84 7.930 8.185 -0.255 1 1 1009 . 9 1 1 A 84 84 GLU HA H 84 4.150 4.263 -0.113 1 1 1014 . 9 1 1 A 84 84 GLU C C 84 176.160 178.751 -2.591 1 1 1015 . 9 1 1 A 84 84 GLU CA C 84 59.400 57.970 1.430 1 1 1016 . 9 1 1 A 84 84 GLU CB C 84 29.600 30.014 -0.414 1 1 1018 . 9 1 1 A 84 84 GLU N N 84 118.310 117.221 1.089 1 1 1019 . 9 1 1 A 85 85 ILE H H 85 7.880 7.965 -0.085 1 1 1020 . 9 1 1 A 85 85 ILE HA H 85 3.880 3.718 0.162 1 1 1030 . 9 1 1 A 85 85 ILE C C 85 179.870 177.920 1.950 1 1 1031 . 9 1 1 A 85 85 ILE CA C 85 65.400 64.986 0.414 1 1 1032 . 9 1 1 A 85 85 ILE CB C 85 37.400 37.673 -0.273 1 1 1036 . 9 1 1 A 85 85 ILE N N 85 120.900 121.745 -0.845 1 1 1037 . 9 1 1 A 86 86 ARG H H 86 7.990 8.343 -0.353 1 1 1038 . 9 1 1 A 86 86 ARG HA H 86 4.030 4.147 -0.117 1 1 1045 . 9 1 1 A 86 86 ARG C C 86 180.520 178.581 1.939 1 1 1046 . 9 1 1 A 86 86 ARG CA C 86 60.200 59.129 1.071 1 1 1047 . 9 1 1 A 86 86 ARG CB C 86 29.800 30.192 -0.392 1 1 1050 . 9 1 1 A 86 86 ARG N N 86 121.000 120.586 0.414 1 1 1051 . 9 1 1 A 87 87 GLU H H 87 8.350 8.488 -0.138 1 1 1052 . 9 1 1 A 87 87 GLU HA H 87 3.900 4.068 -0.168 1 1 1057 . 9 1 1 A 87 87 GLU C C 87 177.380 179.551 -2.171 1 1 1058 . 9 1 1 A 87 87 GLU CA C 87 59.600 59.384 0.216 1 1 1059 . 9 1 1 A 87 87 GLU CB C 87 29.500 29.655 -0.155 1 1 1061 . 9 1 1 A 87 87 GLU N N 87 117.860 119.462 -1.602 1 1 1062 . 9 1 1 A 88 88 ALA H H 88 7.880 7.858 0.022 1 1 1063 . 9 1 1 A 88 88 ALA HA H 88 4.060 4.259 -0.199 1 1 1067 . 9 1 1 A 88 88 ALA C C 88 178.580 179.765 -1.185 1 1 1068 . 9 1 1 A 88 88 ALA CA C 88 55.200 54.809 0.391 1 1 1069 . 9 1 1 A 88 88 ALA CB C 88 17.900 18.351 -0.451 1 1 1070 . 9 1 1 A 88 88 ALA N N 88 120.100 122.495 -2.395 1 1 1071 . 9 1 1 A 89 89 PHE H H 89 8.550 7.855 0.695 1 1 1072 . 9 1 1 A 89 89 PHE HA H 89 4.000 3.730 0.270 1 1 1080 . 9 1 1 A 89 89 PHE C C 89 179.770 177.595 2.175 1 1 1081 . 9 1 1 A 89 89 PHE CA C 89 61.800 61.281 0.519 1 1 1082 . 9 1 1 A 89 89 PHE CB C 89 39.130 39.026 0.104 1 1 1088 . 9 1 1 A 89 89 PHE N N 89 118.760 119.466 -0.706 1 1 1089 . 9 1 1 A 90 90 ARG H H 90 7.750 7.807 -0.057 1 1 1090 . 9 1 1 A 90 90 ARG HA H 90 3.760 3.928 -0.168 1 1 1097 . 9 1 1 A 90 90 ARG C C 90 179.090 179.125 -0.035 1 1 1098 . 9 1 1 A 90 90 ARG CA C 90 58.800 59.347 -0.547 1 1 1099 . 9 1 1 A 90 90 ARG CB C 90 30.500 30.132 0.368 1 1 1102 . 9 1 1 A 90 90 ARG N N 90 115.100 117.785 -2.685 1 1 1103 . 9 1 1 A 91 91 VAL H H 91 7.270 7.493 -0.223 1 1 1104 . 9 1 1 A 91 91 VAL HA H 91 3.360 3.566 -0.206 1 1 1112 . 9 1 1 A 91 91 VAL C C 91 179.060 177.876 1.184 1 1 1113 . 9 1 1 A 91 91 VAL CA C 91 66.050 66.403 -0.353 1 1 1114 . 9 1 1 A 91 91 VAL CB C 91 31.200 31.692 -0.492 1 1 1117 . 9 1 1 A 91 91 VAL N N 91 117.450 120.689 -3.239 1 1 1118 . 9 1 1 A 92 92 PHE H H 92 7.000 7.716 -0.716 1 1 1119 . 9 1 1 A 92 92 PHE HA H 92 4.070 4.142 -0.072 1 1 1127 . 9 1 1 A 92 92 PHE C C 92 177.490 176.307 1.183 1 1 1128 . 9 1 1 A 92 92 PHE CA C 92 60.700 59.798 0.902 1 1 1129 . 9 1 1 A 92 92 PHE CB C 92 38.000 39.460 -1.460 1 1 1135 . 9 1 1 A 92 92 PHE N N 92 114.400 118.371 -3.971 1 1 1136 . 9 1 1 A 93 93 ASP H H 93 7.870 8.081 -0.211 1 1 1137 . 9 1 1 A 93 93 ASP HA H 93 4.450 4.475 -0.025 1 1 1140 . 9 1 1 A 93 93 ASP C C 93 176.830 176.766 0.064 1 1 1141 . 9 1 1 A 93 93 ASP CA C 93 52.300 52.525 -0.225 1 1 1142 . 9 1 1 A 93 93 ASP CB C 93 38.800 39.386 -0.586 1 1 1143 . 9 1 1 A 93 93 ASP N N 93 115.100 117.153 -2.053 1 1 1144 . 9 1 1 A 94 94 LYS H H 94 7.510 7.599 -0.089 1 1 1145 . 9 1 1 A 94 94 LYS HA H 94 3.770 4.091 -0.321 1 1 1154 . 9 1 1 A 94 94 LYS C C 94 176.650 178.004 -1.354 1 1 1155 . 9 1 1 A 94 94 LYS CA C 94 59.400 58.990 0.410 1 1 1156 . 9 1 1 A 94 94 LYS CB C 94 32.800 32.649 0.151 1 1 1160 . 9 1 1 A 94 94 LYS N N 94 124.250 125.602 -1.352 1 1 1161 . 9 1 1 A 95 95 ASP H H 95 8.190 7.533 0.657 1 1 1162 . 9 1 1 A 95 95 ASP HA H 95 4.430 4.595 -0.165 1 1 1165 . 9 1 1 A 95 95 ASP C C 95 177.580 177.602 -0.022 1 1 1166 . 9 1 1 A 95 95 ASP CA C 95 53.600 53.187 0.413 1 1 1167 . 9 1 1 A 95 95 ASP CB C 95 39.900 39.936 -0.036 1 1 1168 . 9 1 1 A 95 95 ASP N N 95 113.600 114.494 -0.894 1 1 1169 . 9 1 1 A 96 96 GLY H H 96 7.770 7.966 -0.196 1 1 1170 . 9 1 1 A 96 96 GLY HA2 H 96 3.750 3.916 -0.166 1 1 1171 . 9 1 1 A 96 96 GLY HA3 H 96 3.750 3.919 -0.169 1 1 1172 . 9 1 1 A 96 96 GLY C C 96 178.400 175.508 2.892 1 1 1173 . 9 1 1 A 96 96 GLY CA C 96 47.100 47.032 0.068 1 1 1174 . 9 1 1 A 96 96 GLY N N 96 108.900 109.141 -0.241 1 1 1175 . 9 1 1 A 97 97 ASN H H 97 8.270 8.110 0.160 1 1 1176 . 9 1 1 A 97 97 ASN HA H 97 4.520 4.775 -0.255 1 1 1181 . 9 1 1 A 97 97 ASN CA C 97 52.900 52.384 0.516 1 1 1182 . 9 1 1 A 97 97 ASN CB C 97 38.100 38.132 -0.032 1 1 1183 . 9 1 1 A 97 97 ASN N N 97 119.460 118.909 0.551 1 1 1185 . 9 1 1 A 98 98 GLY H H 98 10.660 9.440 1.220 1 1 1186 . 9 1 1 A 98 98 GLY HA2 H 98 3.330 3.917 -0.587 1 1 1187 . 9 1 1 A 98 98 GLY HA3 H 98 3.960 3.936 0.024 1 1 1188 . 9 1 1 A 98 98 GLY C C 98 178.360 172.941 5.419 1 1 1189 . 9 1 1 A 98 98 GLY CA C 98 45.800 45.492 0.308 1 1 1190 . 9 1 1 A 98 98 GLY N N 98 112.700 111.599 1.101 1 1 1191 . 9 1 1 A 99 99 TYR H H 99 7.570 8.891 -1.321 1 1 1192 . 9 1 1 A 99 99 TYR HA H 99 4.850 5.378 -0.528 1 1 1199 . 9 1 1 A 99 99 TYR C C 99 176.090 175.047 1.043 1 1 1200 . 9 1 1 A 99 99 TYR CA C 99 56.250 55.946 0.304 1 1 1201 . 9 1 1 A 99 99 TYR CB C 99 42.700 43.232 -0.532 1 1 1206 . 9 1 1 A 99 99 TYR N N 99 115.850 117.427 -1.577 1 1 1207 . 9 1 1 A 100 100 ILE H H 100 10.120 9.218 0.902 1 1 1208 . 9 1 1 A 100 100 ILE HA H 100 4.600 4.847 -0.247 1 1 1218 . 9 1 1 A 100 100 ILE C C 100 172.730 176.339 -3.609 1 1 1219 . 9 1 1 A 100 100 ILE CA C 100 61.500 60.547 0.953 1 1 1220 . 9 1 1 A 100 100 ILE CB C 100 39.300 39.274 0.026 1 1 1224 . 9 1 1 A 100 100 ILE N N 100 127.260 124.776 2.484 1 1 1225 . 9 1 1 A 101 101 SER H H 101 9.010 9.240 -0.230 1 1 1226 . 9 1 1 A 101 101 SER HA H 101 4.820 4.922 -0.102 1 1 1229 . 9 1 1 A 101 101 SER C C 101 174.660 175.422 -0.762 1 1 1230 . 9 1 1 A 101 101 SER CA C 101 55.900 56.749 -0.849 1 1 1231 . 9 1 1 A 101 101 SER CB C 101 67.000 65.931 1.069 1 1 1232 . 9 1 1 A 101 101 SER N N 101 123.850 122.769 1.081 1 1 1233 . 9 1 1 A 102 102 ALA H H 102 9.240 9.073 0.167 1 1 1234 . 9 1 1 A 102 102 ALA HA H 102 3.830 4.074 -0.244 1 1 1238 . 9 1 1 A 102 102 ALA C C 102 175.840 179.848 -4.008 1 1 1239 . 9 1 1 A 102 102 ALA CA C 102 56.170 55.834 0.336 1 1 1240 . 9 1 1 A 102 102 ALA CB C 102 18.200 17.970 0.230 1 1 1241 . 9 1 1 A 102 102 ALA N N 102 122.650 124.724 -2.074 1 1 1242 . 9 1 1 A 103 103 ALA H H 103 8.180 8.170 0.010 1 1 1243 . 9 1 1 A 103 103 ALA HA H 103 3.980 3.990 -0.010 1 1 1247 . 9 1 1 A 103 103 ALA C C 103 175.260 180.241 -4.981 1 1 1248 . 9 1 1 A 103 103 ALA CA C 103 55.200 55.216 -0.016 1 1 1249 . 9 1 1 A 103 103 ALA CB C 103 18.500 18.703 -0.203 1 1 1250 . 9 1 1 A 103 103 ALA N N 103 118.250 119.528 -1.278 1 1 1251 . 9 1 1 A 104 104 GLU H H 104 7.860 7.921 -0.061 1 1 1252 . 9 1 1 A 104 104 GLU HA H 104 3.890 3.912 -0.022 1 1 1257 . 9 1 1 A 104 104 GLU C C 104 179.350 179.059 0.291 1 1 1258 . 9 1 1 A 104 104 GLU CA C 104 59.800 59.415 0.385 1 1 1259 . 9 1 1 A 104 104 GLU CB C 104 29.500 29.718 -0.218 1 1 1261 . 9 1 1 A 104 104 GLU N N 104 120.200 118.085 2.115 1 1 1262 . 9 1 1 A 105 105 LEU H H 105 8.500 7.934 0.566 1 1 1263 . 9 1 1 A 105 105 LEU HA H 105 3.960 3.981 -0.021 1 1 1273 . 9 1 1 A 105 105 LEU C C 105 179.190 178.562 0.628 1 1 1274 . 9 1 1 A 105 105 LEU CA C 105 58.400 57.867 0.533 1 1 1275 . 9 1 1 A 105 105 LEU CB C 105 42.600 41.639 0.961 1 1 1279 . 9 1 1 A 105 105 LEU N N 105 120.100 121.161 -1.061 1 1 1280 . 9 1 1 A 106 106 ARG H H 106 8.490 8.324 0.166 1 1 1281 . 9 1 1 A 106 106 ARG HA H 106 3.550 3.934 -0.384 1 1 1288 . 9 1 1 A 106 106 ARG C C 106 175.240 178.475 -3.235 1 1 1289 . 9 1 1 A 106 106 ARG CA C 106 60.300 59.405 0.895 1 1 1290 . 9 1 1 A 106 106 ARG CB C 106 30.400 29.808 0.592 1 1 1293 . 9 1 1 A 106 106 ARG N N 106 117.300 120.116 -2.816 1 1 1294 . 9 1 1 A 107 107 HIS H H 107 7.870 7.986 -0.116 1 1 1295 . 9 1 1 A 107 107 HIS HA H 107 4.120 4.142 -0.022 1 1 1300 . 9 1 1 A 107 107 HIS C C 107 176.690 177.316 -0.626 1 1 1301 . 9 1 1 A 107 107 HIS CA C 107 60.300 59.126 1.174 1 1 1302 . 9 1 1 A 107 107 HIS CB C 107 31.100 29.720 1.380 1 1 1304 . 9 1 1 A 107 107 HIS N N 107 120.000 119.506 0.494 1 1 1306 . 9 1 1 A 108 108 VAL H H 108 8.190 8.586 -0.396 1 1 1307 . 9 1 1 A 108 108 VAL HA H 108 3.400 3.365 0.035 1 1 1315 . 9 1 1 A 108 108 VAL C C 108 178.430 177.813 0.617 1 1 1316 . 9 1 1 A 108 108 VAL CA C 108 66.500 66.401 0.099 1 1 1317 . 9 1 1 A 108 108 VAL CB C 108 31.800 31.058 0.742 1 1 1320 . 9 1 1 A 108 108 VAL N N 108 118.980 119.526 -0.546 1 1 1321 . 9 1 1 A 109 109 MET H H 109 8.180 7.654 0.526 1 1 1322 . 9 1 1 A 109 109 MET HA H 109 4.220 4.041 0.179 1 1 1330 . 9 1 1 A 109 109 MET C C 109 179.690 178.812 0.878 1 1 1331 . 9 1 1 A 109 109 MET CA C 109 57.300 58.782 -1.482 1 1 1332 . 9 1 1 A 109 109 MET CB C 109 29.700 32.428 -2.728 1 1 1335 . 9 1 1 A 109 109 MET N N 109 114.980 117.530 -2.550 1 1 1336 . 9 1 1 A 110 110 THR H H 110 8.220 7.880 0.340 1 1 1337 . 9 1 1 A 110 110 THR HA H 110 4.000 3.771 0.229 1 1 1342 . 9 1 1 A 110 110 THR C C 110 176.410 176.447 -0.037 1 1 1343 . 9 1 1 A 110 110 THR CA C 110 67.100 67.013 0.087 1 1 1344 . 9 1 1 A 110 110 THR CB C 110 68.500 68.094 0.406 1 1 1346 . 9 1 1 A 110 110 THR N N 110 116.970 114.866 2.104 1 1 1347 . 9 1 1 A 111 111 ASN H H 111 7.780 7.462 0.318 1 1 1348 . 9 1 1 A 111 111 ASN HA H 111 4.320 4.470 -0.150 1 1 1353 . 9 1 1 A 111 111 ASN CA C 111 55.800 56.093 -0.293 1 1 1354 . 9 1 1 A 111 111 ASN CB C 111 38.200 37.967 0.233 1 1 1355 . 9 1 1 A 111 111 ASN N N 111 122.350 119.673 2.677 1 1 1357 . 9 1 1 A 112 112 LEU H H 112 7.480 7.501 -0.021 1 1 1358 . 9 1 1 A 112 112 LEU HA H 112 4.210 4.264 -0.054 1 1 1368 . 9 1 1 A 112 112 LEU C C 112 178.710 177.020 1.690 1 1 1369 . 9 1 1 A 112 112 LEU CA C 112 55.100 55.228 -0.128 1 1 1370 . 9 1 1 A 112 112 LEU CB C 112 42.500 42.553 -0.053 1 1 1374 . 9 1 1 A 112 112 LEU N N 112 118.300 117.201 1.099 1 1 1375 . 9 1 1 A 113 113 GLY H H 113 7.740 7.822 -0.082 1 1 1376 . 9 1 1 A 113 113 GLY HA2 H 113 3.580 3.934 -0.354 1 1 1377 . 9 1 1 A 113 113 GLY HA3 H 113 4.140 3.945 0.195 1 1 1378 . 9 1 1 A 113 113 GLY C C 113 176.830 174.816 2.014 1 1 1379 . 9 1 1 A 113 113 GLY CA C 113 45.370 46.369 -0.999 1 1 1380 . 9 1 1 A 113 113 GLY N N 113 106.500 108.219 -1.719 1 1 1381 . 9 1 1 A 114 114 GLU H H 114 7.780 8.261 -0.481 1 1 1382 . 9 1 1 A 114 114 GLU HA H 114 4.240 4.376 -0.136 1 1 1387 . 9 1 1 A 114 114 GLU C C 114 176.790 175.919 0.871 1 1 1388 . 9 1 1 A 114 114 GLU CA C 114 54.800 56.424 -1.624 1 1 1389 . 9 1 1 A 114 114 GLU CB C 114 29.900 30.382 -0.482 1 1 1391 . 9 1 1 A 114 114 GLU N N 114 119.300 118.820 0.480 1 1 1392 . 9 1 1 A 115 115 LYS H H 115 8.540 7.837 0.703 1 1 1393 . 9 1 1 A 115 115 LYS HA H 115 4.270 3.773 0.497 1 1 1402 . 9 1 1 A 115 115 LYS C C 115 174.300 175.674 -1.374 1 1 1403 . 9 1 1 A 115 115 LYS CA C 115 55.500 57.086 -1.586 1 1 1404 . 9 1 1 A 115 115 LYS CB C 115 31.900 30.320 1.580 1 1 1408 . 9 1 1 A 115 115 LYS N N 115 125.000 116.609 8.391 1 1 1409 . 9 1 1 A 116 116 LEU H H 116 8.000 7.938 0.062 1 1 1410 . 9 1 1 A 116 116 LEU HA H 116 4.630 4.333 0.297 1 1 1420 . 9 1 1 A 116 116 LEU C C 116 175.060 177.885 -2.825 1 1 1421 . 9 1 1 A 116 116 LEU CA C 116 54.100 54.744 -0.644 1 1 1422 . 9 1 1 A 116 116 LEU CB C 116 44.100 42.580 1.520 1 1 1426 . 9 1 1 A 116 116 LEU N N 116 123.620 120.233 3.387 1 1 1427 . 9 1 1 A 117 117 THR H H 117 9.140 8.470 0.670 1 1 1428 . 9 1 1 A 117 117 THR HA H 117 4.340 4.638 -0.298 1 1 1433 . 9 1 1 A 117 117 THR C C 117 175.610 175.528 0.082 1 1 1434 . 9 1 1 A 117 117 THR CA C 117 60.500 60.640 -0.140 1 1 1435 . 9 1 1 A 117 117 THR CB C 117 71.100 71.398 -0.298 1 1 1437 . 9 1 1 A 117 117 THR N N 117 114.240 114.997 -0.757 1 1 1438 . 9 1 1 A 118 118 ASP H H 118 8.820 8.931 -0.111 1 1 1439 . 9 1 1 A 118 118 ASP HA H 118 4.100 4.285 -0.185 1 1 1442 . 9 1 1 A 118 118 ASP C C 118 178.610 178.274 0.336 1 1 1443 . 9 1 1 A 118 118 ASP CA C 118 58.000 58.150 -0.150 1 1 1444 . 9 1 1 A 118 118 ASP CB C 118 39.700 40.253 -0.553 1 1 1445 . 9 1 1 A 118 118 ASP N N 118 120.660 121.987 -1.327 1 1 1446 . 9 1 1 A 119 119 GLU H H 119 8.450 8.097 0.353 1 1 1447 . 9 1 1 A 119 119 GLU HA H 119 3.960 4.022 -0.062 1 1 1452 . 9 1 1 A 119 119 GLU C C 119 175.620 179.360 -3.740 1 1 1453 . 9 1 1 A 119 119 GLU CA C 119 59.800 59.632 0.168 1 1 1454 . 9 1 1 A 119 119 GLU CB C 119 29.400 29.184 0.216 1 1 1456 . 9 1 1 A 119 119 GLU N N 119 118.790 119.925 -1.135 1 1 1457 . 9 1 1 A 120 120 GLU H H 120 7.570 7.771 -0.201 1 1 1458 . 9 1 1 A 120 120 GLU HA H 120 3.950 4.113 -0.163 1 1 1463 . 9 1 1 A 120 120 GLU C C 120 178.630 179.243 -0.613 1 1 1464 . 9 1 1 A 120 120 GLU CA C 120 59.600 58.838 0.762 1 1 1465 . 9 1 1 A 120 120 GLU CB C 120 29.400 29.304 0.096 1 1 1467 . 9 1 1 A 120 120 GLU N N 120 120.120 119.862 0.258 1 1 1468 . 9 1 1 A 121 121 VAL H H 121 7.750 8.097 -0.347 1 1 1469 . 9 1 1 A 121 121 VAL HA H 121 3.240 3.561 -0.321 1 1 1477 . 9 1 1 A 121 121 VAL C C 121 179.110 177.574 1.536 1 1 1478 . 9 1 1 A 121 121 VAL CA C 121 67.300 66.250 1.050 1 1 1479 . 9 1 1 A 121 121 VAL CB C 121 31.550 31.696 -0.146 1 1 1482 . 9 1 1 A 121 121 VAL N N 121 119.400 121.467 -2.067 1 1 1483 . 9 1 1 A 122 122 ASP H H 122 7.840 8.168 -0.328 1 1 1484 . 9 1 1 A 122 122 ASP HA H 122 4.260 4.383 -0.123 1 1 1487 . 9 1 1 A 122 122 ASP C C 122 178.890 179.378 -0.488 1 1 1488 . 9 1 1 A 122 122 ASP CA C 122 57.700 57.502 0.198 1 1 1489 . 9 1 1 A 122 122 ASP CB C 122 40.200 40.071 0.129 1 1 1490 . 9 1 1 A 122 122 ASP N N 122 118.550 119.832 -1.282 1 1 1491 . 9 1 1 A 123 123 GLU H H 123 8.110 7.912 0.198 1 1 1492 . 9 1 1 A 123 123 GLU HA H 123 3.880 4.082 -0.202 1 1 1497 . 9 1 1 A 123 123 GLU C C 123 177.710 179.351 -1.641 1 1 1498 . 9 1 1 A 123 123 GLU CA C 123 59.600 59.298 0.302 1 1 1499 . 9 1 1 A 123 123 GLU CB C 123 29.400 29.307 0.093 1 1 1501 . 9 1 1 A 123 123 GLU N N 123 119.670 120.308 -0.638 1 1 1502 . 9 1 1 A 124 124 MET H H 124 8.000 8.063 -0.063 1 1 1503 . 9 1 1 A 124 124 MET HA H 124 3.700 4.171 -0.471 1 1 1511 . 9 1 1 A 124 124 MET C C 124 179.020 178.813 0.207 1 1 1512 . 9 1 1 A 124 124 MET CA C 124 60.700 58.801 1.899 1 1 1513 . 9 1 1 A 124 124 MET CB C 124 33.200 33.009 0.191 1 1 1516 . 9 1 1 A 124 124 MET N N 124 118.100 119.345 -1.245 1 1 1517 . 9 1 1 A 125 125 ILE H H 125 8.220 7.839 0.381 1 1 1518 . 9 1 1 A 125 125 ILE HA H 125 3.610 3.629 -0.019 1 1 1528 . 9 1 1 A 125 125 ILE C C 125 179.410 177.793 1.617 1 1 1529 . 9 1 1 A 125 125 ILE CA C 125 64.200 64.951 -0.751 1 1 1530 . 9 1 1 A 125 125 ILE CB C 125 36.000 37.782 -1.782 1 1 1534 . 9 1 1 A 125 125 ILE N N 125 121.400 119.496 1.904 1 1 1535 . 9 1 1 A 126 126 ARG H H 126 8.510 8.119 0.391 1 1 1536 . 9 1 1 A 126 126 ARG HA H 126 3.930 3.907 0.023 1 1 1543 . 9 1 1 A 126 126 ARG C C 126 178.070 178.963 -0.893 1 1 1544 . 9 1 1 A 126 126 ARG CA C 126 59.500 59.995 -0.495 1 1 1545 . 9 1 1 A 126 126 ARG CB C 126 30.300 29.817 0.483 1 1 1548 . 9 1 1 A 126 126 ARG N N 126 117.650 119.979 -2.329 1 1 1549 . 9 1 1 A 127 127 GLU H H 127 7.820 8.346 -0.526 1 1 1550 . 9 1 1 A 127 127 GLU HA H 127 3.880 4.025 -0.145 1 1 1555 . 9 1 1 A 127 127 GLU C C 127 180.080 178.336 1.744 1 1 1556 . 9 1 1 A 127 127 GLU CA C 127 58.300 59.437 -1.137 1 1 1557 . 9 1 1 A 127 127 GLU CB C 127 29.800 29.396 0.404 1 1 1559 . 9 1 1 A 127 127 GLU N N 127 115.300 119.779 -4.479 1 1 1560 . 9 1 1 A 128 128 ALA H H 128 6.960 7.276 -0.316 1 1 1561 . 9 1 1 A 128 128 ALA HA H 128 4.340 4.327 0.013 1 1 1565 . 9 1 1 A 128 128 ALA C C 128 181.640 177.413 4.227 1 1 1566 . 9 1 1 A 128 128 ALA CA C 128 51.700 52.736 -1.036 1 1 1567 . 9 1 1 A 128 128 ALA CB C 128 22.400 19.819 2.581 1 1 1568 . 9 1 1 A 128 128 ALA N N 128 115.890 121.287 -5.397 1 1 1569 . 9 1 1 A 129 129 ASP H H 129 8.210 7.830 0.380 1 1 1570 . 9 1 1 A 129 129 ASP HA H 129 4.360 4.612 -0.252 1 1 1573 . 9 1 1 A 129 129 ASP C C 129 176.420 176.642 -0.222 1 1 1574 . 9 1 1 A 129 129 ASP CA C 129 54.300 53.907 0.393 1 1 1575 . 9 1 1 A 129 129 ASP CB C 129 40.400 40.555 -0.155 1 1 1576 . 9 1 1 A 129 129 ASP N N 129 117.100 117.567 -0.467 1 1 1577 . 9 1 1 A 130 130 ILE H H 130 8.250 8.614 -0.364 1 1 1578 . 9 1 1 A 130 130 ILE HA H 130 3.800 4.013 -0.213 1 1 1588 . 9 1 1 A 130 130 ILE C C 130 177.960 175.422 2.538 1 1 1589 . 9 1 1 A 130 130 ILE CA C 130 63.500 62.566 0.934 1 1 1590 . 9 1 1 A 130 130 ILE CB C 130 38.500 38.316 0.184 1 1 1594 . 9 1 1 A 130 130 ILE N N 130 127.900 127.672 0.228 1 1 1595 . 9 1 1 A 131 131 ASP H H 131 8.220 7.635 0.585 1 1 1596 . 9 1 1 A 131 131 ASP HA H 131 4.400 4.945 -0.545 1 1 1599 . 9 1 1 A 131 131 ASP C C 131 175.850 176.067 -0.217 1 1 1600 . 9 1 1 A 131 131 ASP CA C 131 53.800 52.412 1.388 1 1 1601 . 9 1 1 A 131 131 ASP CB C 131 39.900 44.040 -4.140 1 1 1602 . 9 1 1 A 131 131 ASP N N 131 116.250 117.337 -1.087 1 1 1603 . 9 1 1 A 132 132 GLY H H 132 7.520 9.083 -1.563 1 1 1604 . 9 1 1 A 132 132 GLY HA2 H 132 3.700 3.901 -0.201 1 1 1605 . 9 1 1 A 132 132 GLY HA3 H 132 3.900 3.906 -0.006 1 1 1606 . 9 1 1 A 132 132 GLY C C 132 177.820 175.126 2.694 1 1 1607 . 9 1 1 A 132 132 GLY CA C 132 47.400 47.211 0.189 1 1 1608 . 9 1 1 A 132 132 GLY N N 132 108.170 107.927 0.243 1 1 1609 . 9 1 1 A 133 133 ASP H H 133 8.240 8.406 -0.166 1 1 1610 . 9 1 1 A 133 133 ASP HA H 133 4.360 4.545 -0.185 1 1 1613 . 9 1 1 A 133 133 ASP C C 133 178.290 177.572 0.718 1 1 1614 . 9 1 1 A 133 133 ASP CA C 133 53.800 53.543 0.257 1 1 1615 . 9 1 1 A 133 133 ASP CB C 133 40.300 40.405 -0.105 1 1 1616 . 9 1 1 A 133 133 ASP N N 133 120.370 120.095 0.275 1 1 1617 . 9 1 1 A 134 134 GLY H H 134 10.140 9.491 0.649 1 1 1618 . 9 1 1 A 134 134 GLY HA2 H 134 3.300 3.842 -0.542 1 1 1619 . 9 1 1 A 134 134 GLY HA3 H 134 3.930 3.852 0.078 1 1 1620 . 9 1 1 A 134 134 GLY C C 134 175.350 173.252 2.098 1 1 1621 . 9 1 1 A 134 134 GLY CA C 134 45.900 45.639 0.261 1 1 1622 . 9 1 1 A 134 134 GLY N N 134 112.150 111.343 0.807 1 1 1623 . 9 1 1 A 135 135 GLN H H 135 7.910 8.074 -0.164 1 1 1624 . 9 1 1 A 135 135 GLN HA H 135 4.870 5.011 -0.141 1 1 1631 . 9 1 1 A 135 135 GLN C C 135 177.620 174.564 3.056 1 1 1632 . 9 1 1 A 135 135 GLN CA C 135 53.300 53.670 -0.370 1 1 1633 . 9 1 1 A 135 135 GLN CB C 135 33.000 32.669 0.331 1 1 1635 . 9 1 1 A 135 135 GLN N N 135 114.700 118.505 -3.805 1 1 1637 . 9 1 1 A 136 136 VAL H H 136 9.070 8.899 0.171 1 1 1638 . 9 1 1 A 136 136 VAL HA H 136 5.110 5.155 -0.045 1 1 1646 . 9 1 1 A 136 136 VAL C C 136 172.750 175.408 -2.658 1 1 1647 . 9 1 1 A 136 136 VAL CA C 136 61.800 61.727 0.073 1 1 1648 . 9 1 1 A 136 136 VAL CB C 136 34.100 33.057 1.043 1 1 1651 . 9 1 1 A 136 136 VAL N N 136 124.900 122.468 2.432 1 1 1652 . 9 1 1 A 137 137 ASN H H 137 9.450 8.822 0.628 1 1 1653 . 9 1 1 A 137 137 ASN HA H 137 5.240 4.908 0.332 1 1 1658 . 9 1 1 A 137 137 ASN CA C 137 51.400 52.263 -0.863 1 1 1659 . 9 1 1 A 137 137 ASN CB C 137 40.000 40.192 -0.192 1 1 1660 . 9 1 1 A 137 137 ASN N N 137 128.840 126.288 2.552 1 1 1662 . 9 1 1 A 138 138 TYR H H 138 8.330 8.799 -0.469 1 1 1663 . 9 1 1 A 138 138 TYR HA H 138 3.240 4.262 -1.022 1 1 1670 . 9 1 1 A 138 138 TYR C C 138 180.030 177.128 2.902 1 1 1671 . 9 1 1 A 138 138 TYR CA C 138 62.400 62.294 0.106 1 1 1672 . 9 1 1 A 138 138 TYR CB C 138 38.000 38.433 -0.433 1 1 1677 . 9 1 1 A 138 138 TYR N N 138 118.150 125.985 -7.835 1 1 1678 . 9 1 1 A 139 139 GLU H H 139 7.990 8.170 -0.180 1 1 1679 . 9 1 1 A 139 139 GLU HA H 139 3.520 3.758 -0.238 1 1 1684 . 9 1 1 A 139 139 GLU C C 139 179.170 179.223 -0.053 1 1 1685 . 9 1 1 A 139 139 GLU CA C 139 60.550 60.215 0.335 1 1 1686 . 9 1 1 A 139 139 GLU CB C 139 29.100 29.564 -0.464 1 1 1688 . 9 1 1 A 139 139 GLU N N 139 118.100 117.804 0.296 1 1 1689 . 9 1 1 A 140 140 GLU H H 140 8.640 8.114 0.526 1 1 1690 . 9 1 1 A 140 140 GLU HA H 140 3.780 4.048 -0.268 1 1 1695 . 9 1 1 A 140 140 GLU C C 140 181.440 178.985 2.455 1 1 1696 . 9 1 1 A 140 140 GLU CA C 140 58.800 59.168 -0.368 1 1 1697 . 9 1 1 A 140 140 GLU CB C 140 29.200 29.508 -0.308 1 1 1699 . 9 1 1 A 140 140 GLU N N 140 119.300 120.451 -1.151 1 1 1700 . 9 1 1 A 141 141 PHE H H 141 8.470 8.164 0.306 1 1 1701 . 9 1 1 A 141 141 PHE HA H 141 3.380 3.791 -0.411 1 1 1709 . 9 1 1 A 141 141 PHE C C 141 178.980 176.715 2.265 1 1 1710 . 9 1 1 A 141 141 PHE CA C 141 61.900 61.380 0.520 1 1 1711 . 9 1 1 A 141 141 PHE CB C 141 40.200 39.303 0.897 1 1 1717 . 9 1 1 A 141 141 PHE N N 141 123.640 121.651 1.989 1 1 1718 . 9 1 1 A 142 142 VAL H H 142 8.510 8.106 0.404 1 1 1719 . 9 1 1 A 142 142 VAL HA H 142 3.000 3.350 -0.350 1 1 1727 . 9 1 1 A 142 142 VAL C C 142 176.540 177.671 -1.131 1 1 1728 . 9 1 1 A 142 142 VAL CA C 142 66.900 66.322 0.578 1 1 1729 . 9 1 1 A 142 142 VAL CB C 142 31.450 31.135 0.315 1 1 1732 . 9 1 1 A 142 142 VAL N N 142 118.330 118.969 -0.639 1 1 1733 . 9 1 1 A 143 143 GLN H H 143 7.520 8.082 -0.562 1 1 1734 . 9 1 1 A 143 143 GLN HA H 143 3.750 3.863 -0.113 1 1 1741 . 9 1 1 A 143 143 GLN C C 143 176.630 177.914 -1.284 1 1 1742 . 9 1 1 A 143 143 GLN CA C 143 58.900 59.084 -0.184 1 1 1743 . 9 1 1 A 143 143 GLN CB C 143 28.200 28.131 0.069 1 1 1745 . 9 1 1 A 143 143 GLN N N 143 118.100 119.476 -1.376 1 1 1747 . 9 1 1 A 144 144 MET H H 144 7.250 7.641 -0.391 1 1 1748 . 9 1 1 A 144 144 MET HA H 144 4.090 4.196 -0.106 1 1 1756 . 9 1 1 A 144 144 MET C C 144 179.340 178.222 1.118 1 1 1757 . 9 1 1 A 144 144 MET CA C 144 56.750 58.188 -1.438 1 1 1758 . 9 1 1 A 144 144 MET CB C 144 30.800 33.235 -2.435 1 1 1761 . 9 1 1 A 144 144 MET N N 144 117.300 117.776 -0.476 1 1 1762 . 9 1 1 A 145 145 MET H H 145 7.460 7.870 -0.410 1 1 1763 . 9 1 1 A 145 145 MET HA H 145 3.900 3.986 -0.086 1 1 1771 . 9 1 1 A 145 145 MET C C 145 178.110 177.554 0.556 1 1 1772 . 9 1 1 A 145 145 MET CA C 145 56.800 57.845 -1.045 1 1 1773 . 9 1 1 A 145 145 MET CB C 145 31.800 33.566 -1.766 1 1 1776 . 9 1 1 A 145 145 MET N N 145 114.350 118.284 -3.934 1 1 1777 . 9 1 1 A 146 146 THR H H 146 7.560 7.877 -0.317 1 1 1778 . 9 1 1 A 146 146 THR HA H 146 4.220 4.450 -0.230 1 1 1783 . 9 1 1 A 146 146 THR C C 146 177.440 174.337 3.103 1 1 1784 . 9 1 1 A 146 146 THR CA C 146 62.650 61.108 1.542 1 1 1785 . 9 1 1 A 146 146 THR CB C 146 69.700 68.070 1.630 1 1 1787 . 9 1 1 A 146 146 THR N N 146 109.350 109.884 -0.534 1 1 1788 . 9 1 1 A 147 147 ALA H H 147 7.420 7.249 0.171 1 1 1789 . 9 1 1 A 147 147 ALA HA H 147 4.170 4.319 -0.149 1 1 1793 . 9 1 1 A 147 147 ALA C C 147 177.480 176.310 1.170 1 1 1794 . 9 1 1 A 147 147 ALA CA C 147 52.900 51.673 1.227 1 1 1795 . 9 1 1 A 147 147 ALA CB C 147 19.200 17.666 1.534 1 1 1796 . 9 1 1 A 147 147 ALA N N 147 125.650 126.471 -0.821 1 1 1814 . 9 2 2 B 1 1 ARG H H 1088 8.270 8.827 -0.557 1 1 1815 . 9 2 2 B 1 1 ARG HA H 1088 3.860 4.616 -0.756 1 1 1822 . 9 2 2 B 1 1 ARG CA C 1088 59.900 54.550 5.350 1 1 1823 . 9 2 2 B 1 1 ARG CB C 1088 29.900 30.019 -0.119 1 1 1826 . 9 2 2 B 1 1 ARG N N 1088 117.300 123.448 -6.148 1 1 1827 . 9 2 2 B 2 2 GLY H H 1089 9.370 8.829 0.541 1 1 1828 . 9 2 2 B 2 2 GLY HA2 H 1089 3.520 3.953 -0.433 1 1 1829 . 9 2 2 B 2 2 GLY HA3 H 1089 3.730 4.010 -0.280 1 1 1830 . 9 2 2 B 2 2 GLY C C 1089 176.650 175.691 0.959 1 1 1831 . 9 2 2 B 2 2 GLY CA C 1089 47.200 46.682 0.518 1 1 1832 . 9 2 2 B 2 2 GLY N N 1089 105.000 112.410 -7.410 1 1 1833 . 9 2 2 B 3 3 GLN H H 1090 6.980 7.903 -0.923 1 1 1834 . 9 2 2 B 3 3 GLN HA H 1090 3.830 4.144 -0.314 1 1 1841 . 9 2 2 B 3 3 GLN C C 1090 177.680 178.624 -0.944 1 1 1842 . 9 2 2 B 3 3 GLN CA C 1090 59.100 58.873 0.227 1 1 1843 . 9 2 2 B 3 3 GLN CB C 1090 29.800 28.401 1.399 1 1 1845 . 9 2 2 B 3 3 GLN N N 1090 117.350 120.035 -2.685 1 1 1847 . 9 2 2 B 4 4 ILE H H 1091 7.760 7.787 -0.027 1 1 1848 . 9 2 2 B 4 4 ILE HA H 1091 3.480 3.694 -0.214 1 1 1858 . 9 2 2 B 4 4 ILE C C 1091 175.070 178.359 -3.289 1 1 1859 . 9 2 2 B 4 4 ILE CA C 1091 65.600 65.912 -0.312 1 1 1860 . 9 2 2 B 4 4 ILE CB C 1091 38.000 38.196 -0.196 1 1 1864 . 9 2 2 B 4 4 ILE N N 1091 119.650 121.022 -1.372 1 1 1865 . 9 2 2 B 5 5 LEU H H 1092 7.830 8.363 -0.533 1 1 1866 . 9 2 2 B 5 5 LEU HA H 1092 3.820 3.897 -0.077 1 1 1876 . 9 2 2 B 5 5 LEU C C 1092 176.220 179.020 -2.800 1 1 1877 . 9 2 2 B 5 5 LEU CA C 1092 58.250 58.366 -0.116 1 1 1878 . 9 2 2 B 5 5 LEU CB C 1092 41.700 42.171 -0.471 1 1 1882 . 9 2 2 B 5 5 LEU N N 1092 119.200 118.727 0.473 1 1 1883 . 9 2 2 B 6 6 TRP H H 1093 7.650 8.224 -0.574 1 1 1884 . 9 2 2 B 6 6 TRP HA H 1093 4.120 4.345 -0.225 1 1 1893 . 9 2 2 B 6 6 TRP C C 1093 178.490 179.234 -0.744 1 1 1894 . 9 2 2 B 6 6 TRP CA C 1093 61.100 60.371 0.729 1 1 1895 . 9 2 2 B 6 6 TRP CB C 1093 30.000 29.182 0.818 1 1 1901 . 9 2 2 B 6 6 TRP N N 1093 119.200 118.601 0.599 1 1 1903 . 9 2 2 B 7 7 PHE H H 1094 8.400 8.412 -0.012 1 1 1904 . 9 2 2 B 7 7 PHE HA H 1094 4.390 4.226 0.164 1 1 1912 . 9 2 2 B 7 7 PHE C C 1094 178.840 177.462 1.378 1 1 1913 . 9 2 2 B 7 7 PHE CA C 1094 59.700 61.531 -1.831 1 1 1914 . 9 2 2 B 7 7 PHE CB C 1094 37.000 39.234 -2.234 1 1 1919 . 9 2 2 B 7 7 PHE N N 1094 117.800 119.901 -2.101 1 1 1920 . 9 2 2 B 8 8 ARG H H 1095 8.360 8.341 0.019 1 1 1921 . 9 2 2 B 8 8 ARG HA H 1095 4.140 4.125 0.015 1 1 1928 . 9 2 2 B 8 8 ARG C C 1095 178.290 179.029 -0.739 1 1 1929 . 9 2 2 B 8 8 ARG CA C 1095 59.600 59.769 -0.169 1 1 1930 . 9 2 2 B 8 8 ARG CB C 1095 30.500 30.236 0.264 1 1 1933 . 9 2 2 B 8 8 ARG N N 1095 120.800 117.946 2.854 1 1 1934 . 9 2 2 B 9 9 GLY H H 1096 8.330 8.240 0.090 1 1 1935 . 9 2 2 B 9 9 GLY HA2 H 1096 3.560 3.582 -0.022 1 1 1936 . 9 2 2 B 9 9 GLY HA3 H 1096 3.720 3.608 0.112 1 1 1937 . 9 2 2 B 9 9 GLY C C 1096 178.010 175.502 2.508 1 1 1938 . 9 2 2 B 9 9 GLY CA C 1096 47.200 47.281 -0.081 1 1 1939 . 9 2 2 B 9 9 GLY N N 1096 106.400 107.153 -0.753 1 1 1940 . 9 2 2 B 10 10 LEU H H 1097 9.090 7.967 1.123 1 1 1941 . 9 2 2 B 10 10 LEU HA H 1097 4.150 3.911 0.239 1 1 1951 . 9 2 2 B 10 10 LEU C C 1097 178.820 178.320 0.500 1 1 1952 . 9 2 2 B 10 10 LEU CA C 1097 58.500 57.137 1.363 1 1 1953 . 9 2 2 B 10 10 LEU CB C 1097 41.600 40.954 0.646 1 1 1957 . 9 2 2 B 10 10 LEU N N 1097 120.900 122.582 -1.682 1 1 1958 . 9 2 2 B 11 11 ASN H H 1098 8.380 7.762 0.618 1 1 1959 . 9 2 2 B 11 11 ASN HA H 1098 4.440 4.164 0.276 1 1 1964 . 9 2 2 B 11 11 ASN CA C 1098 56.700 56.794 -0.094 1 1 1965 . 9 2 2 B 11 11 ASN CB C 1098 38.700 39.686 -0.986 1 1 1966 . 9 2 2 B 11 11 ASN N N 1098 116.900 116.959 -0.059 1 1 1968 . 9 2 2 B 12 12 ARG H H 1099 7.900 7.475 0.425 1 1 1969 . 9 2 2 B 12 12 ARG HA H 1099 3.980 4.064 -0.084 1 1 1976 . 9 2 2 B 12 12 ARG C C 1099 178.360 178.332 0.028 1 1 1977 . 9 2 2 B 12 12 ARG CA C 1099 60.200 59.081 1.119 1 1 1978 . 9 2 2 B 12 12 ARG CB C 1099 32.600 29.985 2.615 1 1 1981 . 9 2 2 B 12 12 ARG N N 1099 120.100 118.483 1.617 1 1 1982 . 9 2 2 B 13 13 ILE H H 1100 8.230 7.925 0.305 1 1 1983 . 9 2 2 B 13 13 ILE HA H 1100 3.840 3.625 0.215 1 1 1993 . 9 2 2 B 13 13 ILE C C 1100 178.110 177.897 0.213 1 1 1994 . 9 2 2 B 13 13 ILE CA C 1100 63.800 65.384 -1.584 1 1 1995 . 9 2 2 B 13 13 ILE CB C 1100 37.300 37.457 -0.157 1 1 1999 . 9 2 2 B 13 13 ILE N N 1100 120.350 120.819 -0.469 1 1 2000 . 9 2 2 B 14 14 GLN H H 1101 8.830 7.788 1.042 1 1 2001 . 9 2 2 B 14 14 GLN HA H 1101 3.990 3.953 0.037 1 1 2008 . 9 2 2 B 14 14 GLN C C 1101 177.860 178.739 -0.879 1 1 2009 . 9 2 2 B 14 14 GLN CA C 1101 60.000 59.142 0.858 1 1 2010 . 9 2 2 B 14 14 GLN CB C 1101 28.800 28.141 0.659 1 1 2012 . 9 2 2 B 14 14 GLN N N 1101 118.700 118.090 0.610 1 1 2014 . 9 2 2 B 15 15 THR H H 1102 8.140 8.130 0.010 1 1 2015 . 9 2 2 B 15 15 THR HA H 1102 3.890 3.781 0.109 1 1 2020 . 9 2 2 B 15 15 THR C C 1102 177.470 176.555 0.915 1 1 2021 . 9 2 2 B 15 15 THR CA C 1102 67.400 67.619 -0.219 1 1 2022 . 9 2 2 B 15 15 THR CB C 1102 70.300 68.464 1.836 1 1 2024 . 9 2 2 B 15 15 THR N N 1102 117.500 117.314 0.186 1 1 2025 . 9 2 2 B 16 16 GLN H H 1103 8.320 8.309 0.011 1 1 2026 . 9 2 2 B 16 16 GLN HA H 1103 4.100 3.927 0.173 1 1 2033 . 9 2 2 B 16 16 GLN C C 1103 178.890 178.557 0.333 1 1 2034 . 9 2 2 B 16 16 GLN CA C 1103 60.600 59.250 1.350 1 1 2035 . 9 2 2 B 16 16 GLN CB C 1103 30.500 28.465 2.035 1 1 2037 . 9 2 2 B 16 16 GLN N N 1103 120.650 119.136 1.514 1 1 2039 . 9 2 2 B 17 17 ILE H H 1104 8.690 7.394 1.296 1 1 2040 . 9 2 2 B 17 17 ILE HA H 1104 3.470 3.974 -0.504 1 1 2050 . 9 2 2 B 17 17 ILE C C 1104 175.230 177.892 -2.662 1 1 2051 . 9 2 2 B 17 17 ILE CA C 1104 66.150 62.153 3.997 1 1 2052 . 9 2 2 B 17 17 ILE CB C 1104 38.300 37.971 0.329 1 1 2056 . 9 2 2 B 17 17 ILE N N 1104 119.400 120.111 -0.711 1 1 2057 . 9 2 2 B 18 18 LYS H H 1105 7.950 8.849 -0.899 1 1 2058 . 9 2 2 B 18 18 LYS HA H 1105 3.900 3.980 -0.080 1 1 2067 . 9 2 2 B 18 18 LYS C C 1105 177.660 178.620 -0.960 1 1 2068 . 9 2 2 B 18 18 LYS CA C 1105 60.050 59.807 0.243 1 1 2069 . 9 2 2 B 18 18 LYS CB C 1105 32.700 32.154 0.546 1 1 2073 . 9 2 2 B 18 18 LYS N N 1105 120.280 123.488 -3.208 1 1 2074 . 9 2 2 B 19 19 VAL H H 1106 8.280 7.635 0.645 1 1 2075 . 9 2 2 B 19 19 VAL HA H 1106 3.430 3.810 -0.380 1 1 2083 . 9 2 2 B 19 19 VAL C C 1106 177.660 178.380 -0.720 1 1 2084 . 9 2 2 B 19 19 VAL CA C 1106 65.900 66.616 -0.716 1 1 2085 . 9 2 2 B 19 19 VAL CB C 1106 31.400 31.800 -0.400 1 1 2088 . 9 2 2 B 19 19 VAL N N 1106 120.660 119.417 1.243 1 1 2089 . 9 2 2 B 20 20 VAL H H 1107 8.420 8.025 0.395 1 1 2090 . 9 2 2 B 20 20 VAL HA H 1107 3.580 3.890 -0.310 1 1 2098 . 9 2 2 B 20 20 VAL C C 1107 178.930 178.359 0.571 1 1 2099 . 9 2 2 B 20 20 VAL CA C 1107 68.390 65.979 2.411 1 1 2100 . 9 2 2 B 20 20 VAL CB C 1107 31.200 31.477 -0.277 1 1 2103 . 9 2 2 B 20 20 VAL N N 1107 119.990 116.503 3.487 1 1 2104 . 9 2 2 B 21 21 LYS H H 1108 8.300 8.174 0.126 1 1 2105 . 9 2 2 B 21 21 LYS HA H 1108 4.050 4.084 -0.034 1 1 2114 . 9 2 2 B 21 21 LYS C C 1108 177.230 178.967 -1.737 1 1 2115 . 9 2 2 B 21 21 LYS CA C 1108 59.980 59.834 0.146 1 1 2116 . 9 2 2 B 21 21 LYS CB C 1108 32.400 32.213 0.187 1 1 2120 . 9 2 2 B 21 21 LYS N N 1108 119.290 122.161 -2.871 1 1 2121 . 9 2 2 B 22 22 ALA H H 1109 7.690 8.110 -0.420 1 1 2122 . 9 2 2 B 22 22 ALA HA H 1109 3.900 4.205 -0.305 1 1 2126 . 9 2 2 B 22 22 ALA C C 1109 178.200 179.725 -1.525 1 1 2127 . 9 2 2 B 22 22 ALA CA C 1109 54.950 55.255 -0.305 1 1 2128 . 9 2 2 B 22 22 ALA CB C 1109 22.000 18.789 3.211 1 1 2129 . 9 2 2 B 22 22 ALA N N 1109 123.910 122.194 1.716 1 1 2130 . 9 2 2 B 23 23 PHE H H 1110 7.920 8.368 -0.448 1 1 2131 . 9 2 2 B 23 23 PHE HA H 1110 4.120 4.264 -0.144 1 1 2139 . 9 2 2 B 23 23 PHE C C 1110 178.840 178.314 0.526 1 1 2140 . 9 2 2 B 23 23 PHE CA C 1110 61.260 60.694 0.566 1 1 2141 . 9 2 2 B 23 23 PHE CB C 1110 40.200 38.936 1.264 1 1 2147 . 9 2 2 B 23 23 PHE N N 1110 118.200 115.667 2.533 1 1 2148 . 9 2 2 B 24 24 HIS H H 1111 7.960 7.636 0.324 1 1 2149 . 9 2 2 B 24 24 HIS HA H 1111 4.530 4.387 0.143 1 1 2155 . 9 2 2 B 24 24 HIS C C 1111 178.710 175.077 3.633 1 1 2156 . 9 2 2 B 24 24 HIS CA C 1111 57.200 59.885 -2.685 1 1 2157 . 9 2 2 B 24 24 HIS CB C 1111 30.200 29.810 0.390 1 1 2160 . 9 2 2 B 24 24 HIS N N 1111 117.760 117.564 0.196 1 1 2162 . 9 2 2 B 25 25 SER H H 1112 7.980 8.512 -0.532 1 1 2163 . 9 2 2 B 25 25 SER HA H 1112 4.340 4.006 0.334 1 1 2166 . 9 2 2 B 25 25 SER C C 1112 177.230 174.297 2.933 1 1 2167 . 9 2 2 B 25 25 SER CA C 1112 58.570 59.574 -1.004 1 1 2168 . 9 2 2 B 25 25 SER CB C 1112 63.800 61.486 2.314 1 1 2169 . 9 2 2 B 25 25 SER N N 1112 116.970 112.289 4.681 1 1 9 . 10 1 1 A 2 2 ASP H H 2 8.220 8.698 -0.478 1 1 10 . 10 1 1 A 2 2 ASP HA H 2 4.500 4.236 0.264 1 1 13 . 10 1 1 A 2 2 ASP CA C 2 54.750 57.840 -3.090 1 1 14 . 10 1 1 A 2 2 ASP CB C 2 41.350 40.765 0.585 1 1 15 . 10 1 1 A 2 2 ASP N N 2 121.760 120.224 1.536 1 1 16 . 10 1 1 A 3 3 GLN H H 3 8.320 7.959 0.361 1 1 17 . 10 1 1 A 3 3 GLN HA H 3 4.240 4.672 -0.432 1 1 24 . 10 1 1 A 3 3 GLN CA C 3 55.750 54.770 0.980 1 1 25 . 10 1 1 A 3 3 GLN CB C 3 29.700 30.836 -1.136 1 1 27 . 10 1 1 A 3 3 GLN N N 3 119.800 116.850 2.950 1 1 29 . 10 1 1 A 4 4 LEU H H 4 8.250 8.591 -0.341 1 1 30 . 10 1 1 A 4 4 LEU HA H 4 4.540 4.372 0.168 1 1 40 . 10 1 1 A 4 4 LEU C C 4 175.740 176.128 -0.388 1 1 41 . 10 1 1 A 4 4 LEU CA C 4 54.600 55.441 -0.841 1 1 42 . 10 1 1 A 4 4 LEU CB C 4 43.600 45.082 -1.482 1 1 46 . 10 1 1 A 4 4 LEU N N 4 123.100 122.066 1.034 1 1 47 . 10 1 1 A 5 5 THR H H 5 8.680 7.574 1.106 1 1 48 . 10 1 1 A 5 5 THR HA H 5 4.350 4.300 0.050 1 1 53 . 10 1 1 A 5 5 THR C C 5 175.750 175.575 0.175 1 1 54 . 10 1 1 A 5 5 THR CA C 5 60.500 61.554 -1.054 1 1 55 . 10 1 1 A 5 5 THR CB C 5 71.100 70.098 1.002 1 1 57 . 10 1 1 A 5 5 THR N N 5 112.700 111.119 1.581 1 1 58 . 10 1 1 A 6 6 GLU H H 6 8.950 8.952 -0.002 1 1 59 . 10 1 1 A 6 6 GLU HA H 6 3.880 3.991 -0.111 1 1 64 . 10 1 1 A 6 6 GLU C C 6 177.790 178.391 -0.601 1 1 65 . 10 1 1 A 6 6 GLU CA C 6 60.200 59.584 0.616 1 1 66 . 10 1 1 A 6 6 GLU CB C 6 29.300 29.132 0.168 1 1 68 . 10 1 1 A 6 6 GLU N N 6 119.950 122.910 -2.960 1 1 69 . 10 1 1 A 7 7 GLU H H 7 8.660 8.098 0.562 1 1 70 . 10 1 1 A 7 7 GLU HA H 7 3.940 3.989 -0.049 1 1 75 . 10 1 1 A 7 7 GLU C C 7 175.460 179.155 -3.695 1 1 76 . 10 1 1 A 7 7 GLU CA C 7 60.200 59.577 0.623 1 1 77 . 10 1 1 A 7 7 GLU CB C 7 29.100 29.310 -0.210 1 1 79 . 10 1 1 A 7 7 GLU N N 7 119.250 119.770 -0.520 1 1 80 . 10 1 1 A 8 8 GLN H H 8 7.670 7.720 -0.050 1 1 81 . 10 1 1 A 8 8 GLN HA H 8 3.760 4.115 -0.355 1 1 88 . 10 1 1 A 8 8 GLN C C 8 179.600 178.589 1.011 1 1 89 . 10 1 1 A 8 8 GLN CA C 8 58.800 58.509 0.291 1 1 90 . 10 1 1 A 8 8 GLN CB C 8 29.300 28.126 1.174 1 1 92 . 10 1 1 A 8 8 GLN N N 8 120.000 118.897 1.103 1 1 94 . 10 1 1 A 9 9 ILE H H 9 8.280 8.381 -0.101 1 1 95 . 10 1 1 A 9 9 ILE HA H 9 3.580 3.701 -0.121 1 1 105 . 10 1 1 A 9 9 ILE C C 9 179.270 177.885 1.385 1 1 106 . 10 1 1 A 9 9 ILE CA C 9 66.400 65.656 0.744 1 1 107 . 10 1 1 A 9 9 ILE CB C 9 38.100 37.942 0.158 1 1 111 . 10 1 1 A 9 9 ILE N N 9 119.400 119.878 -0.478 1 1 112 . 10 1 1 A 10 10 ALA H H 10 7.950 8.294 -0.344 1 1 113 . 10 1 1 A 10 10 ALA HA H 10 4.020 4.021 -0.001 1 1 117 . 10 1 1 A 10 10 ALA C C 10 178.490 180.002 -1.512 1 1 118 . 10 1 1 A 10 10 ALA CA C 10 55.400 55.864 -0.464 1 1 119 . 10 1 1 A 10 10 ALA CB C 10 17.950 18.306 -0.356 1 1 120 . 10 1 1 A 10 10 ALA N N 10 121.000 122.336 -1.336 1 1 121 . 10 1 1 A 11 11 GLU H H 11 7.730 8.148 -0.418 1 1 122 . 10 1 1 A 11 11 GLU HA H 11 4.030 4.091 -0.061 1 1 127 . 10 1 1 A 11 11 GLU C C 11 177.860 179.684 -1.824 1 1 128 . 10 1 1 A 11 11 GLU CA C 11 59.500 59.598 -0.098 1 1 129 . 10 1 1 A 11 11 GLU CB C 11 29.500 29.800 -0.300 1 1 131 . 10 1 1 A 11 11 GLU N N 11 119.700 118.309 1.391 1 1 132 . 10 1 1 A 12 12 PHE H H 12 8.470 8.506 -0.036 1 1 133 . 10 1 1 A 12 12 PHE HA H 12 4.910 4.308 0.602 1 1 141 . 10 1 1 A 12 12 PHE C C 12 181.140 178.115 3.025 1 1 142 . 10 1 1 A 12 12 PHE CA C 12 59.200 61.477 -2.277 1 1 143 . 10 1 1 A 12 12 PHE CB C 12 37.700 38.591 -0.891 1 1 149 . 10 1 1 A 12 12 PHE N N 12 119.900 119.516 0.384 1 1 150 . 10 1 1 A 13 13 LYS H H 13 9.180 8.696 0.484 1 1 151 . 10 1 1 A 13 13 LYS HA H 13 3.860 3.838 0.022 1 1 160 . 10 1 1 A 13 13 LYS C C 13 180.730 178.599 2.131 1 1 161 . 10 1 1 A 13 13 LYS CA C 13 60.300 59.964 0.336 1 1 162 . 10 1 1 A 13 13 LYS CB C 13 31.900 32.640 -0.740 1 1 166 . 10 1 1 A 13 13 LYS N N 13 124.000 120.441 3.559 1 1 167 . 10 1 1 A 14 14 GLU H H 14 7.770 8.085 -0.315 1 1 168 . 10 1 1 A 14 14 GLU HA H 14 4.050 4.047 0.003 1 1 173 . 10 1 1 A 14 14 GLU C C 14 178.750 178.996 -0.246 1 1 174 . 10 1 1 A 14 14 GLU CA C 14 59.300 59.509 -0.209 1 1 175 . 10 1 1 A 14 14 GLU CB C 14 29.300 29.347 -0.047 1 1 177 . 10 1 1 A 14 14 GLU N N 14 120.060 118.515 1.545 1 1 178 . 10 1 1 A 15 15 ALA H H 15 8.020 7.560 0.460 1 1 179 . 10 1 1 A 15 15 ALA HA H 15 4.110 4.116 -0.006 1 1 183 . 10 1 1 A 15 15 ALA C C 15 179.220 179.823 -0.603 1 1 184 . 10 1 1 A 15 15 ALA CA C 15 55.900 54.887 1.013 1 1 185 . 10 1 1 A 15 15 ALA CB C 15 18.430 17.858 0.572 1 1 186 . 10 1 1 A 15 15 ALA N N 15 121.660 122.589 -0.929 1 1 187 . 10 1 1 A 16 16 PHE H H 16 8.700 8.005 0.695 1 1 188 . 10 1 1 A 16 16 PHE HA H 16 3.190 3.579 -0.389 1 1 196 . 10 1 1 A 16 16 PHE C C 16 176.350 178.340 -1.990 1 1 197 . 10 1 1 A 16 16 PHE CA C 16 62.300 59.765 2.535 1 1 198 . 10 1 1 A 16 16 PHE CB C 16 39.800 37.856 1.944 1 1 204 . 10 1 1 A 16 16 PHE N N 16 118.400 116.397 2.003 1 1 205 . 10 1 1 A 17 17 SER H H 17 8.040 7.986 0.054 1 1 206 . 10 1 1 A 17 17 SER HA H 17 4.110 4.079 0.031 1 1 209 . 10 1 1 A 17 17 SER C C 17 178.820 177.075 1.745 1 1 210 . 10 1 1 A 17 17 SER CA C 17 61.600 61.475 0.125 1 1 211 . 10 1 1 A 17 17 SER CB C 17 63.200 62.833 0.367 1 1 212 . 10 1 1 A 17 17 SER N N 17 114.290 116.423 -2.133 1 1 213 . 10 1 1 A 18 18 LEU H H 18 7.440 7.249 0.191 1 1 214 . 10 1 1 A 18 18 LEU HA H 18 3.970 3.957 0.013 1 1 224 . 10 1 1 A 18 18 LEU C C 18 178.630 178.196 0.434 1 1 225 . 10 1 1 A 18 18 LEU CA C 18 56.800 57.410 -0.610 1 1 226 . 10 1 1 A 18 18 LEU CB C 18 42.600 41.633 0.967 1 1 230 . 10 1 1 A 18 18 LEU N N 18 118.200 122.096 -3.896 1 1 231 . 10 1 1 A 19 19 PHE H H 19 7.330 6.310 1.020 1 1 232 . 10 1 1 A 19 19 PHE HA H 19 3.950 4.634 -0.684 1 1 240 . 10 1 1 A 19 19 PHE C C 19 174.460 175.335 -0.875 1 1 241 . 10 1 1 A 19 19 PHE CA C 19 59.300 57.073 2.227 1 1 242 . 10 1 1 A 19 19 PHE CB C 19 41.800 39.715 2.085 1 1 248 . 10 1 1 A 19 19 PHE N N 19 114.900 112.910 1.990 1 1 249 . 10 1 1 A 20 20 ASP H H 20 7.780 6.830 0.950 1 1 250 . 10 1 1 A 20 20 ASP HA H 20 4.480 5.044 -0.564 1 1 253 . 10 1 1 A 20 20 ASP C C 20 176.700 175.873 0.827 1 1 254 . 10 1 1 A 20 20 ASP CA C 20 52.400 53.389 -0.989 1 1 255 . 10 1 1 A 20 20 ASP CB C 20 39.400 39.192 0.208 1 1 256 . 10 1 1 A 20 20 ASP N N 20 117.700 122.184 -4.484 1 1 257 . 10 1 1 A 21 21 LYS H H 21 7.480 8.172 -0.692 1 1 258 . 10 1 1 A 21 21 LYS HA H 21 3.840 3.937 -0.097 1 1 267 . 10 1 1 A 21 21 LYS C C 21 175.550 177.370 -1.820 1 1 268 . 10 1 1 A 21 21 LYS CA C 21 58.300 59.305 -1.005 1 1 269 . 10 1 1 A 21 21 LYS CB C 21 32.600 32.644 -0.044 1 1 273 . 10 1 1 A 21 21 LYS N N 21 124.200 125.967 -1.767 1 1 274 . 10 1 1 A 22 22 ASP H H 22 7.910 7.976 -0.066 1 1 275 . 10 1 1 A 22 22 ASP HA H 22 4.460 4.632 -0.172 1 1 278 . 10 1 1 A 22 22 ASP C C 22 176.920 177.691 -0.771 1 1 279 . 10 1 1 A 22 22 ASP CA C 22 53.400 53.086 0.314 1 1 280 . 10 1 1 A 22 22 ASP CB C 22 39.800 39.771 0.029 1 1 281 . 10 1 1 A 22 22 ASP N N 22 113.500 115.254 -1.754 1 1 282 . 10 1 1 A 23 23 GLY H H 23 7.540 7.980 -0.440 1 1 283 . 10 1 1 A 23 23 GLY HA2 H 23 3.730 3.864 -0.134 1 1 284 . 10 1 1 A 23 23 GLY HA3 H 23 3.730 3.868 -0.138 1 1 285 . 10 1 1 A 23 23 GLY C C 23 178.030 175.121 2.909 1 1 286 . 10 1 1 A 23 23 GLY CA C 23 47.400 47.185 0.215 1 1 287 . 10 1 1 A 23 23 GLY N N 23 109.200 108.947 0.253 1 1 288 . 10 1 1 A 24 24 ASP H H 24 8.430 7.807 0.623 1 1 289 . 10 1 1 A 24 24 ASP HA H 24 4.410 4.580 -0.170 1 1 292 . 10 1 1 A 24 24 ASP C C 24 177.580 177.588 -0.008 1 1 293 . 10 1 1 A 24 24 ASP CA C 24 53.770 53.577 0.193 1 1 294 . 10 1 1 A 24 24 ASP CB C 24 40.200 40.296 -0.096 1 1 295 . 10 1 1 A 24 24 ASP N N 24 120.700 120.542 0.158 1 1 296 . 10 1 1 A 25 25 GLY H H 25 10.370 9.511 0.859 1 1 297 . 10 1 1 A 25 25 GLY HA2 H 25 4.240 3.971 0.269 1 1 298 . 10 1 1 A 25 25 GLY HA3 H 25 3.610 3.985 -0.375 1 1 299 . 10 1 1 A 25 25 GLY C C 25 175.160 173.586 1.574 1 1 300 . 10 1 1 A 25 25 GLY CA C 25 45.300 45.422 -0.122 1 1 301 . 10 1 1 A 25 25 GLY N N 25 112.100 112.140 -0.040 1 1 302 . 10 1 1 A 26 26 THR H H 26 8.060 7.783 0.277 1 1 303 . 10 1 1 A 26 26 THR HA H 26 5.430 5.009 0.421 1 1 308 . 10 1 1 A 26 26 THR C C 26 177.260 173.321 3.939 1 1 309 . 10 1 1 A 26 26 THR CA C 26 59.500 58.791 0.709 1 1 310 . 10 1 1 A 26 26 THR CB C 26 72.800 73.237 -0.437 1 1 312 . 10 1 1 A 26 26 THR N N 26 110.950 109.717 1.233 1 1 313 . 10 1 1 A 27 27 ILE H H 27 9.890 8.606 1.284 1 1 314 . 10 1 1 A 27 27 ILE HA H 27 4.680 5.123 -0.443 1 1 324 . 10 1 1 A 27 27 ILE C C 27 173.810 175.673 -1.863 1 1 325 . 10 1 1 A 27 27 ILE CA C 27 61.250 60.593 0.657 1 1 326 . 10 1 1 A 27 27 ILE CB C 27 40.700 38.611 2.089 1 1 330 . 10 1 1 A 27 27 ILE N N 27 125.400 124.539 0.861 1 1 331 . 10 1 1 A 28 28 THR H H 28 8.290 8.987 -0.697 1 1 332 . 10 1 1 A 28 28 THR HA H 28 4.680 4.929 -0.249 1 1 337 . 10 1 1 A 28 28 THR C C 28 173.550 176.177 -2.627 1 1 338 . 10 1 1 A 28 28 THR CA C 28 59.200 59.429 -0.229 1 1 339 . 10 1 1 A 28 28 THR CB C 28 72.600 72.061 0.539 1 1 341 . 10 1 1 A 28 28 THR N N 28 116.000 117.815 -1.815 1 1 342 . 10 1 1 A 29 29 THR H H 29 9.180 8.856 0.324 1 1 343 . 10 1 1 A 29 29 THR HA H 29 3.570 3.895 -0.325 1 1 348 . 10 1 1 A 29 29 THR C C 29 176.080 176.295 -0.215 1 1 349 . 10 1 1 A 29 29 THR CA C 29 66.100 66.605 -0.505 1 1 350 . 10 1 1 A 29 29 THR CB C 29 67.650 68.294 -0.644 1 1 352 . 10 1 1 A 29 29 THR N N 29 111.440 114.983 -3.543 1 1 353 . 10 1 1 A 30 30 LYS H H 30 7.340 8.033 -0.693 1 1 354 . 10 1 1 A 30 30 LYS HA H 30 3.960 3.928 0.032 1 1 363 . 10 1 1 A 30 30 LYS C C 30 176.660 179.404 -2.744 1 1 364 . 10 1 1 A 30 30 LYS CA C 30 59.100 59.944 -0.844 1 1 365 . 10 1 1 A 30 30 LYS CB C 30 32.700 32.380 0.320 1 1 369 . 10 1 1 A 30 30 LYS N N 30 120.350 122.659 -2.309 1 1 370 . 10 1 1 A 31 31 GLU H H 31 7.760 8.339 -0.579 1 1 371 . 10 1 1 A 31 31 GLU HA H 31 4.000 4.108 -0.108 1 1 376 . 10 1 1 A 31 31 GLU C C 31 177.230 179.005 -1.775 1 1 377 . 10 1 1 A 31 31 GLU CA C 31 59.600 58.952 0.648 1 1 378 . 10 1 1 A 31 31 GLU CB C 31 29.600 28.469 1.131 1 1 380 . 10 1 1 A 31 31 GLU N N 31 122.300 118.150 4.150 1 1 381 . 10 1 1 A 32 32 LEU H H 32 8.370 8.137 0.233 1 1 382 . 10 1 1 A 32 32 LEU HA H 32 4.060 3.873 0.187 1 1 392 . 10 1 1 A 32 32 LEU C C 32 179.400 178.630 0.770 1 1 393 . 10 1 1 A 32 32 LEU CA C 32 57.550 57.906 -0.356 1 1 394 . 10 1 1 A 32 32 LEU CB C 32 41.700 41.947 -0.247 1 1 398 . 10 1 1 A 32 32 LEU N N 32 120.100 122.913 -2.813 1 1 399 . 10 1 1 A 33 33 GLY H H 33 8.650 8.016 0.634 1 1 400 . 10 1 1 A 33 33 GLY HA2 H 33 3.450 3.846 -0.396 1 1 401 . 10 1 1 A 33 33 GLY HA3 H 33 3.800 3.848 -0.048 1 1 402 . 10 1 1 A 33 33 GLY C C 33 179.640 176.246 3.394 1 1 403 . 10 1 1 A 33 33 GLY CA C 33 48.300 47.605 0.695 1 1 404 . 10 1 1 A 33 33 GLY N N 33 105.700 106.141 -0.441 1 1 405 . 10 1 1 A 34 34 THR H H 34 8.070 7.945 0.125 1 1 406 . 10 1 1 A 34 34 THR HA H 34 3.790 4.009 -0.219 1 1 411 . 10 1 1 A 34 34 THR C C 34 178.670 175.936 2.734 1 1 412 . 10 1 1 A 34 34 THR CA C 34 67.300 67.096 0.204 1 1 413 . 10 1 1 A 34 34 THR CB C 34 68.700 68.615 0.085 1 1 415 . 10 1 1 A 34 34 THR N N 34 118.140 118.879 -0.739 1 1 416 . 10 1 1 A 35 35 VAL H H 35 7.510 7.723 -0.213 1 1 417 . 10 1 1 A 35 35 VAL HA H 35 3.480 3.567 -0.087 1 1 425 . 10 1 1 A 35 35 VAL C C 35 175.050 177.649 -2.599 1 1 426 . 10 1 1 A 35 35 VAL CA C 35 66.500 66.763 -0.263 1 1 427 . 10 1 1 A 35 35 VAL CB C 35 31.400 31.398 0.002 1 1 430 . 10 1 1 A 35 35 VAL N N 35 121.400 121.794 -0.394 1 1 431 . 10 1 1 A 36 36 MET H H 36 8.530 7.972 0.558 1 1 432 . 10 1 1 A 36 36 MET HA H 36 3.590 4.101 -0.511 1 1 440 . 10 1 1 A 36 36 MET C C 36 177.410 177.928 -0.518 1 1 441 . 10 1 1 A 36 36 MET CA C 36 61.900 58.548 3.352 1 1 442 . 10 1 1 A 36 36 MET CB C 36 32.600 31.189 1.411 1 1 445 . 10 1 1 A 36 36 MET N N 36 118.970 118.224 0.746 1 1 446 . 10 1 1 A 37 37 ARG H H 37 8.600 8.283 0.317 1 1 447 . 10 1 1 A 37 37 ARG HA H 37 4.720 4.195 0.525 1 1 454 . 10 1 1 A 37 37 ARG C C 37 179.250 178.784 0.466 1 1 455 . 10 1 1 A 37 37 ARG CA C 37 59.450 59.349 0.101 1 1 456 . 10 1 1 A 37 37 ARG CB C 37 30.200 30.145 0.055 1 1 459 . 10 1 1 A 37 37 ARG N N 37 118.400 120.300 -1.900 1 1 460 . 10 1 1 A 38 38 SER H H 38 7.830 7.737 0.093 1 1 461 . 10 1 1 A 38 38 SER HA H 38 4.240 4.336 -0.096 1 1 464 . 10 1 1 A 38 38 SER C C 38 178.480 176.753 1.727 1 1 465 . 10 1 1 A 38 38 SER CA C 38 62.100 60.779 1.321 1 1 466 . 10 1 1 A 38 38 SER CB C 38 63.400 63.049 0.351 1 1 467 . 10 1 1 A 38 38 SER N N 38 119.400 114.347 5.053 1 1 468 . 10 1 1 A 39 39 LEU H H 39 7.280 8.453 -1.173 1 1 469 . 10 1 1 A 39 39 LEU HA H 39 4.360 4.461 -0.101 1 1 479 . 10 1 1 A 39 39 LEU C C 39 178.240 176.850 1.390 1 1 480 . 10 1 1 A 39 39 LEU CA C 39 54.300 55.447 -1.147 1 1 481 . 10 1 1 A 39 39 LEU CB C 39 42.100 42.722 -0.622 1 1 485 . 10 1 1 A 39 39 LEU N N 39 119.950 121.573 -1.623 1 1 486 . 10 1 1 A 40 40 GLY H H 40 7.740 8.776 -1.036 1 1 487 . 10 1 1 A 40 40 GLY HA2 H 40 4.140 3.912 0.228 1 1 488 . 10 1 1 A 40 40 GLY HA3 H 40 3.650 3.929 -0.279 1 1 489 . 10 1 1 A 40 40 GLY C C 40 176.140 173.624 2.516 1 1 490 . 10 1 1 A 40 40 GLY CA C 40 45.300 45.811 -0.511 1 1 491 . 10 1 1 A 40 40 GLY N N 40 105.750 108.294 -2.544 1 1 492 . 10 1 1 A 41 41 GLN H H 41 7.710 7.898 -0.188 1 1 493 . 10 1 1 A 41 41 GLN HA H 41 4.360 4.910 -0.550 1 1 500 . 10 1 1 A 41 41 GLN C C 41 176.700 173.856 2.844 1 1 501 . 10 1 1 A 41 41 GLN CA C 41 54.900 53.816 1.084 1 1 502 . 10 1 1 A 41 41 GLN CB C 41 29.600 32.831 -3.231 1 1 504 . 10 1 1 A 41 41 GLN N N 41 118.400 118.902 -0.502 1 1 506 . 10 1 1 A 42 42 ASN H H 42 8.640 8.782 -0.142 1 1 507 . 10 1 1 A 42 42 ASN HA H 42 5.150 5.406 -0.256 1 1 512 . 10 1 1 A 42 42 ASN CA C 42 51.200 50.599 0.601 1 1 513 . 10 1 1 A 42 42 ASN CB C 42 39.500 38.627 0.873 1 1 514 . 10 1 1 A 42 42 ASN N N 42 115.610 116.780 -1.170 1 1 516 . 10 1 1 A 43 43 PRO HA H 43 4.540 4.555 -0.015 1 1 523 . 10 1 1 A 43 43 PRO C C 43 179.440 176.858 2.582 1 1 524 . 10 1 1 A 43 43 PRO CA C 43 62.450 62.908 -0.458 1 1 525 . 10 1 1 A 43 43 PRO CB C 43 31.500 31.863 -0.363 1 1 528 . 10 1 1 A 44 44 THR H H 44 8.660 8.042 0.618 1 1 529 . 10 1 1 A 44 44 THR HA H 44 4.340 4.488 -0.148 1 1 534 . 10 1 1 A 44 44 THR CA C 44 60.450 60.500 -0.050 1 1 535 . 10 1 1 A 44 44 THR CB C 44 71.400 70.953 0.447 1 1 537 . 10 1 1 A 44 44 THR N N 44 112.600 112.965 -0.365 1 1 538 . 10 1 1 A 45 45 GLU H H 45 8.720 9.055 -0.335 1 1 539 . 10 1 1 A 45 45 GLU HA H 45 3.870 4.056 -0.186 1 1 544 . 10 1 1 A 45 45 GLU C C 45 174.270 178.579 -4.309 1 1 545 . 10 1 1 A 45 45 GLU CA C 45 59.900 59.315 0.585 1 1 546 . 10 1 1 A 45 45 GLU CB C 45 29.200 29.184 0.016 1 1 548 . 10 1 1 A 45 45 GLU N N 45 120.150 121.046 -0.896 1 1 549 . 10 1 1 A 46 46 ALA H H 46 8.200 8.342 -0.142 1 1 550 . 10 1 1 A 46 46 ALA HA H 46 3.980 4.034 -0.054 1 1 554 . 10 1 1 A 46 46 ALA C C 46 175.180 180.012 -4.832 1 1 555 . 10 1 1 A 46 46 ALA CA C 46 55.100 54.878 0.222 1 1 556 . 10 1 1 A 46 46 ALA CB C 46 18.300 18.238 0.062 1 1 557 . 10 1 1 A 46 46 ALA N N 46 120.450 121.937 -1.487 1 1 558 . 10 1 1 A 47 47 GLU H H 47 7.630 7.791 -0.161 1 1 559 . 10 1 1 A 47 47 GLU HA H 47 3.890 4.123 -0.233 1 1 564 . 10 1 1 A 47 47 GLU C C 47 179.020 179.025 -0.005 1 1 565 . 10 1 1 A 47 47 GLU CA C 47 59.500 58.803 0.697 1 1 566 . 10 1 1 A 47 47 GLU CB C 47 29.600 29.335 0.265 1 1 568 . 10 1 1 A 47 47 GLU N N 47 118.320 118.476 -0.156 1 1 569 . 10 1 1 A 48 48 LEU H H 48 7.880 8.196 -0.316 1 1 570 . 10 1 1 A 48 48 LEU HA H 48 3.790 3.970 -0.180 1 1 580 . 10 1 1 A 48 48 LEU C C 48 180.200 179.743 0.457 1 1 581 . 10 1 1 A 48 48 LEU CA C 48 58.150 57.913 0.237 1 1 582 . 10 1 1 A 48 48 LEU CB C 48 42.800 41.657 1.143 1 1 586 . 10 1 1 A 48 48 LEU N N 48 119.000 120.113 -1.113 1 1 587 . 10 1 1 A 49 49 GLN H H 49 8.080 8.275 -0.195 1 1 588 . 10 1 1 A 49 49 GLN HA H 49 3.630 4.029 -0.399 1 1 595 . 10 1 1 A 49 49 GLN C C 49 177.680 177.486 0.194 1 1 596 . 10 1 1 A 49 49 GLN CA C 49 58.600 58.959 -0.359 1 1 597 . 10 1 1 A 49 49 GLN CB C 49 28.500 28.527 -0.027 1 1 599 . 10 1 1 A 49 49 GLN N N 49 117.400 118.597 -1.197 1 1 601 . 10 1 1 A 50 50 ASP H H 50 7.960 8.231 -0.271 1 1 602 . 10 1 1 A 50 50 ASP HA H 50 4.300 4.300 0.000 1 1 605 . 10 1 1 A 50 50 ASP C C 50 178.470 178.542 -0.072 1 1 606 . 10 1 1 A 50 50 ASP CA C 50 57.700 57.802 -0.102 1 1 607 . 10 1 1 A 50 50 ASP CB C 50 40.600 41.793 -1.193 1 1 608 . 10 1 1 A 50 50 ASP N N 50 119.050 119.570 -0.520 1 1 609 . 10 1 1 A 51 51 MET H H 51 7.750 8.258 -0.508 1 1 610 . 10 1 1 A 51 51 MET HA H 51 4.000 4.175 -0.175 1 1 618 . 10 1 1 A 51 51 MET C C 51 178.170 178.797 -0.627 1 1 619 . 10 1 1 A 51 51 MET CA C 51 59.500 58.600 0.900 1 1 620 . 10 1 1 A 51 51 MET CB C 51 34.700 32.783 1.917 1 1 623 . 10 1 1 A 51 51 MET N N 51 117.900 117.897 0.003 1 1 624 . 10 1 1 A 52 52 ILE H H 52 7.580 7.893 -0.313 1 1 625 . 10 1 1 A 52 52 ILE HA H 52 3.620 3.520 0.100 1 1 635 . 10 1 1 A 52 52 ILE C C 52 178.690 177.863 0.827 1 1 636 . 10 1 1 A 52 52 ILE CA C 52 63.600 65.283 -1.683 1 1 637 . 10 1 1 A 52 52 ILE CB C 52 36.700 37.810 -1.110 1 1 641 . 10 1 1 A 52 52 ILE N N 52 116.850 119.130 -2.280 1 1 642 . 10 1 1 A 53 53 ASN H H 53 8.570 8.431 0.139 1 1 643 . 10 1 1 A 53 53 ASN HA H 53 4.310 4.422 -0.112 1 1 648 . 10 1 1 A 53 53 ASN CA C 53 56.400 56.477 -0.077 1 1 649 . 10 1 1 A 53 53 ASN CB C 53 38.300 38.013 0.287 1 1 650 . 10 1 1 A 53 53 ASN N N 53 116.900 118.150 -1.250 1 1 652 . 10 1 1 A 54 54 GLU H H 54 7.520 7.827 -0.307 1 1 653 . 10 1 1 A 54 54 GLU HA H 54 3.950 4.115 -0.165 1 1 658 . 10 1 1 A 54 54 GLU C C 54 178.070 178.543 -0.473 1 1 659 . 10 1 1 A 54 54 GLU CA C 54 59.000 58.926 0.074 1 1 660 . 10 1 1 A 54 54 GLU CB C 54 29.800 29.569 0.231 1 1 662 . 10 1 1 A 54 54 GLU N N 54 115.650 119.423 -3.773 1 1 663 . 10 1 1 A 55 55 VAL H H 55 7.020 7.181 -0.161 1 1 664 . 10 1 1 A 55 55 VAL HA H 55 4.110 4.013 0.097 1 1 672 . 10 1 1 A 55 55 VAL C C 55 177.890 176.395 1.495 1 1 673 . 10 1 1 A 55 55 VAL CA C 55 61.210 64.574 -3.364 1 1 674 . 10 1 1 A 55 55 VAL CB C 55 33.100 32.036 1.064 1 1 677 . 10 1 1 A 55 55 VAL N N 55 111.500 119.328 -7.828 1 1 678 . 10 1 1 A 56 56 ASP H H 56 7.460 7.900 -0.440 1 1 679 . 10 1 1 A 56 56 ASP HA H 56 4.360 4.667 -0.307 1 1 682 . 10 1 1 A 56 56 ASP C C 56 177.620 176.696 0.924 1 1 683 . 10 1 1 A 56 56 ASP CA C 56 53.550 53.511 0.039 1 1 684 . 10 1 1 A 56 56 ASP CB C 56 40.600 40.214 0.386 1 1 685 . 10 1 1 A 56 56 ASP N N 56 121.330 121.773 -0.443 1 1 686 . 10 1 1 A 57 57 ALA H H 57 7.780 8.222 -0.442 1 1 687 . 10 1 1 A 57 57 ALA HA H 57 4.080 4.061 0.019 1 1 691 . 10 1 1 A 57 57 ALA C C 57 175.320 178.384 -3.064 1 1 692 . 10 1 1 A 57 57 ALA CA C 57 55.000 55.136 -0.136 1 1 693 . 10 1 1 A 57 57 ALA CB C 57 19.800 18.531 1.269 1 1 694 . 10 1 1 A 57 57 ALA N N 57 130.400 128.214 2.186 1 1 695 . 10 1 1 A 58 58 ASP H H 58 8.140 8.146 -0.006 1 1 696 . 10 1 1 A 58 58 ASP HA H 58 4.540 4.580 -0.040 1 1 699 . 10 1 1 A 58 58 ASP C C 58 176.130 177.522 -1.392 1 1 700 . 10 1 1 A 58 58 ASP CA C 58 52.950 53.220 -0.270 1 1 701 . 10 1 1 A 58 58 ASP CB C 58 40.100 40.005 0.095 1 1 702 . 10 1 1 A 58 58 ASP N N 58 113.200 113.138 0.062 1 1 703 . 10 1 1 A 59 59 GLY H H 59 7.530 7.693 -0.163 1 1 704 . 10 1 1 A 59 59 GLY HA2 H 59 3.700 3.920 -0.220 1 1 705 . 10 1 1 A 59 59 GLY HA3 H 59 3.820 3.921 -0.101 1 1 706 . 10 1 1 A 59 59 GLY C C 59 178.830 175.279 3.551 1 1 707 . 10 1 1 A 59 59 GLY CA C 59 47.450 46.983 0.467 1 1 708 . 10 1 1 A 59 59 GLY N N 59 108.180 109.269 -1.089 1 1 709 . 10 1 1 A 60 60 ASN H H 60 8.080 8.704 -0.624 1 1 710 . 10 1 1 A 60 60 ASN HA H 60 4.500 4.682 -0.182 1 1 715 . 10 1 1 A 60 60 ASN CA C 60 52.900 52.614 0.286 1 1 716 . 10 1 1 A 60 60 ASN CB C 60 37.900 37.851 0.049 1 1 717 . 10 1 1 A 60 60 ASN N N 60 118.700 118.592 0.108 1 1 719 . 10 1 1 A 61 61 GLY H H 61 10.640 10.193 0.447 1 1 720 . 10 1 1 A 61 61 GLY HA2 H 61 3.370 3.885 -0.515 1 1 721 . 10 1 1 A 61 61 GLY HA3 H 61 4.190 3.888 0.302 1 1 722 . 10 1 1 A 61 61 GLY C C 61 174.970 173.443 1.527 1 1 723 . 10 1 1 A 61 61 GLY CA C 61 45.300 45.404 -0.104 1 1 724 . 10 1 1 A 61 61 GLY N N 61 113.400 111.829 1.571 1 1 725 . 10 1 1 A 62 62 THR H H 62 7.550 7.812 -0.262 1 1 726 . 10 1 1 A 62 62 THR HA H 62 4.620 4.947 -0.327 1 1 731 . 10 1 1 A 62 62 THR C C 62 176.870 172.689 4.181 1 1 732 . 10 1 1 A 62 62 THR CA C 62 59.550 59.681 -0.131 1 1 733 . 10 1 1 A 62 62 THR CB C 62 72.500 72.649 -0.149 1 1 735 . 10 1 1 A 62 62 THR N N 62 107.860 109.844 -1.984 1 1 736 . 10 1 1 A 63 63 ILE H H 63 8.790 8.504 0.286 1 1 737 . 10 1 1 A 63 63 ILE HA H 63 5.280 4.998 0.282 1 1 747 . 10 1 1 A 63 63 ILE C C 63 173.250 175.154 -1.904 1 1 748 . 10 1 1 A 63 63 ILE CA C 63 57.600 59.837 -2.237 1 1 749 . 10 1 1 A 63 63 ILE CB C 63 39.400 39.694 -0.294 1 1 753 . 10 1 1 A 63 63 ILE N N 63 123.900 121.623 2.277 1 1 754 . 10 1 1 A 64 64 ASP H H 64 8.720 8.970 -0.250 1 1 755 . 10 1 1 A 64 64 ASP HA H 64 5.350 5.055 0.295 1 1 758 . 10 1 1 A 64 64 ASP C C 64 172.850 177.998 -5.148 1 1 759 . 10 1 1 A 64 64 ASP CA C 64 52.100 52.764 -0.664 1 1 760 . 10 1 1 A 64 64 ASP CB C 64 42.150 43.035 -0.885 1 1 761 . 10 1 1 A 64 64 ASP N N 64 127.860 127.281 0.579 1 1 762 . 10 1 1 A 65 65 PHE H H 65 8.840 9.191 -0.351 1 1 763 . 10 1 1 A 65 65 PHE HA H 65 3.890 4.887 -0.997 1 1 771 . 10 1 1 A 65 65 PHE C C 65 175.750 174.749 1.001 1 1 772 . 10 1 1 A 65 65 PHE CA C 65 63.300 63.742 -0.442 1 1 773 . 10 1 1 A 65 65 PHE CB C 65 36.100 37.473 -1.373 1 1 779 . 10 1 1 A 65 65 PHE N N 65 117.500 123.193 -5.693 1 1 780 . 10 1 1 A 66 66 PRO HA H 66 3.770 4.381 -0.611 1 1 787 . 10 1 1 A 66 66 PRO C C 66 175.840 179.507 -3.667 1 1 788 . 10 1 1 A 66 66 PRO CA C 66 67.100 66.437 0.663 1 1 789 . 10 1 1 A 66 66 PRO CB C 66 30.700 30.996 -0.296 1 1 792 . 10 1 1 A 67 67 GLU H H 67 8.340 8.802 -0.462 1 1 793 . 10 1 1 A 67 67 GLU HA H 67 3.920 4.140 -0.220 1 1 798 . 10 1 1 A 67 67 GLU CA C 67 59.400 59.185 0.215 1 1 799 . 10 1 1 A 67 67 GLU CB C 67 29.650 29.235 0.415 1 1 801 . 10 1 1 A 67 67 GLU N N 67 117.850 118.025 -0.175 1 1 802 . 10 1 1 A 68 68 PHE H H 68 8.630 8.145 0.485 1 1 803 . 10 1 1 A 68 68 PHE HA H 68 3.670 4.149 -0.479 1 1 811 . 10 1 1 A 68 68 PHE C C 68 174.810 177.407 -2.597 1 1 812 . 10 1 1 A 68 68 PHE CA C 68 61.400 61.337 0.063 1 1 813 . 10 1 1 A 68 68 PHE CB C 68 40.700 39.318 1.382 1 1 819 . 10 1 1 A 68 68 PHE N N 68 123.200 123.434 -0.234 1 1 820 . 10 1 1 A 69 69 LEU H H 69 8.800 8.451 0.349 1 1 821 . 10 1 1 A 69 69 LEU HA H 69 3.130 4.302 -1.172 1 1 831 . 10 1 1 A 69 69 LEU C C 69 179.310 178.855 0.455 1 1 832 . 10 1 1 A 69 69 LEU CA C 69 58.000 58.505 -0.505 1 1 833 . 10 1 1 A 69 69 LEU CB C 69 41.550 41.965 -0.415 1 1 837 . 10 1 1 A 69 69 LEU N N 69 119.930 120.490 -0.560 1 1 838 . 10 1 1 A 70 70 THR H H 70 7.550 7.762 -0.212 1 1 839 . 10 1 1 A 70 70 THR HA H 70 3.530 3.833 -0.303 1 1 844 . 10 1 1 A 70 70 THR C C 70 180.360 176.904 3.456 1 1 845 . 10 1 1 A 70 70 THR CA C 70 66.700 66.903 -0.203 1 1 846 . 10 1 1 A 70 70 THR CB C 70 68.500 68.248 0.252 1 1 848 . 10 1 1 A 70 70 THR N N 70 114.730 114.380 0.350 1 1 849 . 10 1 1 A 71 71 MET H H 71 7.000 8.036 -1.036 1 1 850 . 10 1 1 A 71 71 MET HA H 71 3.640 4.128 -0.488 1 1 858 . 10 1 1 A 71 71 MET C C 71 176.750 178.379 -1.629 1 1 859 . 10 1 1 A 71 71 MET CA C 71 58.800 58.189 0.611 1 1 860 . 10 1 1 A 71 71 MET CB C 71 32.000 32.144 -0.144 1 1 863 . 10 1 1 A 71 71 MET N N 71 119.750 118.172 1.578 1 1 864 . 10 1 1 A 72 72 MET H H 72 7.810 8.016 -0.206 1 1 865 . 10 1 1 A 72 72 MET HA H 72 3.880 4.142 -0.262 1 1 873 . 10 1 1 A 72 72 MET C C 72 174.850 178.241 -3.391 1 1 874 . 10 1 1 A 72 72 MET CA C 72 55.100 59.037 -3.937 1 1 875 . 10 1 1 A 72 72 MET CB C 72 28.900 33.034 -4.134 1 1 878 . 10 1 1 A 72 72 MET N N 72 115.300 118.546 -3.246 1 1 879 . 10 1 1 A 73 73 ALA H H 73 7.880 8.166 -0.286 1 1 880 . 10 1 1 A 73 73 ALA HA H 73 3.990 4.009 -0.019 1 1 884 . 10 1 1 A 73 73 ALA C C 73 177.940 180.041 -2.101 1 1 885 . 10 1 1 A 73 73 ALA CA C 73 53.900 55.309 -1.409 1 1 886 . 10 1 1 A 73 73 ALA CB C 73 18.600 18.316 0.284 1 1 887 . 10 1 1 A 73 73 ALA N N 73 120.000 121.033 -1.033 1 1 888 . 10 1 1 A 74 74 ARG H H 74 7.050 7.442 -0.392 1 1 889 . 10 1 1 A 74 74 ARG HA H 74 4.040 4.129 -0.089 1 1 896 . 10 1 1 A 74 74 ARG C C 74 178.910 177.069 1.841 1 1 897 . 10 1 1 A 74 74 ARG CA C 74 57.400 58.320 -0.920 1 1 898 . 10 1 1 A 74 74 ARG CB C 74 30.900 30.281 0.619 1 1 901 . 10 1 1 A 74 74 ARG N N 74 115.850 118.271 -2.421 1 1 902 . 10 1 1 A 75 75 LYS H H 75 7.820 7.798 0.022 1 1 903 . 10 1 1 A 75 75 LYS HA H 75 4.200 4.312 -0.112 1 1 912 . 10 1 1 A 75 75 LYS C C 75 178.770 176.548 2.222 1 1 913 . 10 1 1 A 75 75 LYS CA C 75 55.900 55.052 0.848 1 1 914 . 10 1 1 A 75 75 LYS CB C 75 32.600 30.872 1.728 1 1 918 . 10 1 1 A 75 75 LYS N N 75 119.600 118.635 0.965 1 1 919 . 10 1 1 A 76 76 MET H H 76 8.100 8.378 -0.278 1 1 920 . 10 1 1 A 76 76 MET HA H 76 4.300 4.831 -0.531 1 1 928 . 10 1 1 A 76 76 MET C C 76 176.990 175.882 1.108 1 1 929 . 10 1 1 A 76 76 MET CA C 76 55.800 53.848 1.952 1 1 930 . 10 1 1 A 76 76 MET CB C 76 33.800 32.689 1.111 1 1 933 . 10 1 1 A 76 76 MET N N 76 122.300 124.104 -1.804 1 1 934 . 10 1 1 A 77 77 LYS H H 77 8.150 7.598 0.552 1 1 935 . 10 1 1 A 77 77 LYS HA H 77 4.210 4.095 0.115 1 1 944 . 10 1 1 A 77 77 LYS C C 77 176.890 175.969 0.921 1 1 945 . 10 1 1 A 77 77 LYS CA C 77 56.100 56.820 -0.720 1 1 946 . 10 1 1 A 77 77 LYS CB C 77 33.000 32.809 0.191 1 1 950 . 10 1 1 A 77 77 LYS N N 77 121.300 122.360 -1.060 1 1 951 . 10 1 1 A 78 78 ASP H H 78 8.240 8.529 -0.289 1 1 952 . 10 1 1 A 78 78 ASP HA H 78 4.500 4.898 -0.398 1 1 955 . 10 1 1 A 78 78 ASP C C 78 176.090 175.111 0.979 1 1 956 . 10 1 1 A 78 78 ASP CA C 78 54.700 53.803 0.897 1 1 957 . 10 1 1 A 78 78 ASP CB C 78 41.300 41.556 -0.256 1 1 958 . 10 1 1 A 78 78 ASP N N 78 122.200 125.143 -2.943 1 1 959 . 10 1 1 A 79 79 THR H H 79 8.150 8.748 -0.598 1 1 960 . 10 1 1 A 79 79 THR HA H 79 4.220 4.673 -0.453 1 1 965 . 10 1 1 A 79 79 THR C C 79 176.240 174.029 2.211 1 1 966 . 10 1 1 A 79 79 THR CA C 79 61.500 62.472 -0.972 1 1 967 . 10 1 1 A 79 79 THR CB C 79 70.300 69.700 0.600 1 1 969 . 10 1 1 A 79 79 THR N N 79 114.940 120.729 -5.789 1 1 970 . 10 1 1 A 80 80 ASP H H 80 8.480 8.915 -0.435 1 1 971 . 10 1 1 A 80 80 ASP HA H 80 4.600 4.662 -0.062 1 1 974 . 10 1 1 A 80 80 ASP C C 80 176.230 176.759 -0.529 1 1 975 . 10 1 1 A 80 80 ASP CA C 80 54.100 54.656 -0.556 1 1 976 . 10 1 1 A 80 80 ASP CB C 80 41.600 40.739 0.861 1 1 977 . 10 1 1 A 80 80 ASP N N 80 123.800 127.855 -4.055 1 1 978 . 10 1 1 A 81 81 SER H H 81 8.500 8.948 -0.448 1 1 979 . 10 1 1 A 81 81 SER HA H 81 4.220 4.096 0.124 1 1 982 . 10 1 1 A 81 81 SER C C 81 173.900 176.607 -2.707 1 1 983 . 10 1 1 A 81 81 SER CA C 81 60.400 61.826 -1.426 1 1 984 . 10 1 1 A 81 81 SER CB C 81 63.700 62.707 0.993 1 1 985 . 10 1 1 A 81 81 SER N N 81 118.450 120.572 -2.122 1 1 986 . 10 1 1 A 82 82 GLU H H 82 8.430 8.054 0.376 1 1 987 . 10 1 1 A 82 82 GLU HA H 82 4.010 4.186 -0.176 1 1 992 . 10 1 1 A 82 82 GLU C C 82 176.370 179.353 -2.983 1 1 993 . 10 1 1 A 82 82 GLU CA C 82 59.100 59.302 -0.202 1 1 994 . 10 1 1 A 82 82 GLU CB C 82 29.600 29.172 0.428 1 1 996 . 10 1 1 A 82 82 GLU N N 82 121.850 120.907 0.943 1 1 997 . 10 1 1 A 83 83 GLU H H 83 8.020 8.855 -0.835 1 1 998 . 10 1 1 A 83 83 GLU HA H 83 4.040 4.036 0.004 1 1 1003 . 10 1 1 A 83 83 GLU C C 83 175.890 178.759 -2.869 1 1 1004 . 10 1 1 A 83 83 GLU CA C 83 58.800 59.508 -0.708 1 1 1005 . 10 1 1 A 83 83 GLU CB C 83 29.400 29.292 0.108 1 1 1007 . 10 1 1 A 83 83 GLU N N 83 119.470 119.668 -0.198 1 1 1008 . 10 1 1 A 84 84 GLU H H 84 7.930 7.858 0.072 1 1 1009 . 10 1 1 A 84 84 GLU HA H 84 4.150 4.166 -0.016 1 1 1014 . 10 1 1 A 84 84 GLU C C 84 176.160 179.440 -3.280 1 1 1015 . 10 1 1 A 84 84 GLU CA C 84 59.400 58.782 0.618 1 1 1016 . 10 1 1 A 84 84 GLU CB C 84 29.600 29.505 0.095 1 1 1018 . 10 1 1 A 84 84 GLU N N 84 118.310 119.289 -0.979 1 1 1019 . 10 1 1 A 85 85 ILE H H 85 7.880 7.943 -0.063 1 1 1020 . 10 1 1 A 85 85 ILE HA H 85 3.880 3.720 0.160 1 1 1030 . 10 1 1 A 85 85 ILE C C 85 179.870 177.989 1.881 1 1 1031 . 10 1 1 A 85 85 ILE CA C 85 65.400 65.111 0.289 1 1 1032 . 10 1 1 A 85 85 ILE CB C 85 37.400 37.631 -0.231 1 1 1036 . 10 1 1 A 85 85 ILE N N 85 120.900 120.964 -0.064 1 1 1037 . 10 1 1 A 86 86 ARG H H 86 7.990 8.319 -0.329 1 1 1038 . 10 1 1 A 86 86 ARG HA H 86 4.030 4.124 -0.094 1 1 1045 . 10 1 1 A 86 86 ARG C C 86 180.520 178.618 1.902 1 1 1046 . 10 1 1 A 86 86 ARG CA C 86 60.200 59.003 1.197 1 1 1047 . 10 1 1 A 86 86 ARG CB C 86 29.800 30.219 -0.419 1 1 1050 . 10 1 1 A 86 86 ARG N N 86 121.000 120.574 0.426 1 1 1051 . 10 1 1 A 87 87 GLU H H 87 8.350 8.496 -0.146 1 1 1052 . 10 1 1 A 87 87 GLU HA H 87 3.900 4.066 -0.166 1 1 1057 . 10 1 1 A 87 87 GLU C C 87 177.380 179.528 -2.148 1 1 1058 . 10 1 1 A 87 87 GLU CA C 87 59.600 59.455 0.145 1 1 1059 . 10 1 1 A 87 87 GLU CB C 87 29.500 29.674 -0.174 1 1 1061 . 10 1 1 A 87 87 GLU N N 87 117.860 119.383 -1.523 1 1 1062 . 10 1 1 A 88 88 ALA H H 88 7.880 7.952 -0.072 1 1 1063 . 10 1 1 A 88 88 ALA HA H 88 4.060 4.235 -0.175 1 1 1067 . 10 1 1 A 88 88 ALA C C 88 178.580 179.617 -1.037 1 1 1068 . 10 1 1 A 88 88 ALA CA C 88 55.200 54.859 0.341 1 1 1069 . 10 1 1 A 88 88 ALA CB C 88 17.900 18.153 -0.253 1 1 1070 . 10 1 1 A 88 88 ALA N N 88 120.100 122.718 -2.618 1 1 1071 . 10 1 1 A 89 89 PHE H H 89 8.550 7.808 0.742 1 1 1072 . 10 1 1 A 89 89 PHE HA H 89 4.000 3.750 0.250 1 1 1080 . 10 1 1 A 89 89 PHE C C 89 179.770 177.621 2.149 1 1 1081 . 10 1 1 A 89 89 PHE CA C 89 61.800 61.309 0.491 1 1 1082 . 10 1 1 A 89 89 PHE CB C 89 39.130 39.067 0.063 1 1 1088 . 10 1 1 A 89 89 PHE N N 89 118.760 119.442 -0.682 1 1 1089 . 10 1 1 A 90 90 ARG H H 90 7.750 7.834 -0.084 1 1 1090 . 10 1 1 A 90 90 ARG HA H 90 3.760 3.901 -0.141 1 1 1097 . 10 1 1 A 90 90 ARG C C 90 179.090 179.116 -0.026 1 1 1098 . 10 1 1 A 90 90 ARG CA C 90 58.800 59.449 -0.649 1 1 1099 . 10 1 1 A 90 90 ARG CB C 90 30.500 30.091 0.409 1 1 1102 . 10 1 1 A 90 90 ARG N N 90 115.100 117.830 -2.730 1 1 1103 . 10 1 1 A 91 91 VAL H H 91 7.270 7.557 -0.287 1 1 1104 . 10 1 1 A 91 91 VAL HA H 91 3.360 3.561 -0.201 1 1 1112 . 10 1 1 A 91 91 VAL C C 91 179.060 178.013 1.047 1 1 1113 . 10 1 1 A 91 91 VAL CA C 91 66.050 66.371 -0.321 1 1 1114 . 10 1 1 A 91 91 VAL CB C 91 31.200 31.759 -0.559 1 1 1117 . 10 1 1 A 91 91 VAL N N 91 117.450 120.548 -3.098 1 1 1118 . 10 1 1 A 92 92 PHE H H 92 7.000 7.750 -0.750 1 1 1119 . 10 1 1 A 92 92 PHE HA H 92 4.070 4.136 -0.066 1 1 1127 . 10 1 1 A 92 92 PHE C C 92 177.490 176.344 1.146 1 1 1128 . 10 1 1 A 92 92 PHE CA C 92 60.700 59.800 0.900 1 1 1129 . 10 1 1 A 92 92 PHE CB C 92 38.000 39.452 -1.452 1 1 1135 . 10 1 1 A 92 92 PHE N N 92 114.400 118.476 -4.076 1 1 1136 . 10 1 1 A 93 93 ASP H H 93 7.870 8.123 -0.253 1 1 1137 . 10 1 1 A 93 93 ASP HA H 93 4.450 4.453 -0.003 1 1 1140 . 10 1 1 A 93 93 ASP C C 93 176.830 176.204 0.626 1 1 1141 . 10 1 1 A 93 93 ASP CA C 93 52.300 52.450 -0.150 1 1 1142 . 10 1 1 A 93 93 ASP CB C 93 38.800 39.359 -0.559 1 1 1143 . 10 1 1 A 93 93 ASP N N 93 115.100 117.095 -1.995 1 1 1144 . 10 1 1 A 94 94 LYS H H 94 7.510 8.447 -0.937 1 1 1145 . 10 1 1 A 94 94 LYS HA H 94 3.770 3.768 0.002 1 1 1154 . 10 1 1 A 94 94 LYS C C 94 176.650 177.620 -0.970 1 1 1155 . 10 1 1 A 94 94 LYS CA C 94 59.400 59.982 -0.582 1 1 1156 . 10 1 1 A 94 94 LYS CB C 94 32.800 32.091 0.709 1 1 1160 . 10 1 1 A 94 94 LYS N N 94 124.250 126.484 -2.234 1 1 1161 . 10 1 1 A 95 95 ASP H H 95 8.190 7.495 0.695 1 1 1162 . 10 1 1 A 95 95 ASP HA H 95 4.430 4.605 -0.175 1 1 1165 . 10 1 1 A 95 95 ASP C C 95 177.580 177.605 -0.025 1 1 1166 . 10 1 1 A 95 95 ASP CA C 95 53.600 53.175 0.425 1 1 1167 . 10 1 1 A 95 95 ASP CB C 95 39.900 39.936 -0.036 1 1 1168 . 10 1 1 A 95 95 ASP N N 95 113.600 115.003 -1.403 1 1 1169 . 10 1 1 A 96 96 GLY H H 96 7.770 7.950 -0.180 1 1 1170 . 10 1 1 A 96 96 GLY HA2 H 96 3.750 3.901 -0.151 1 1 1171 . 10 1 1 A 96 96 GLY HA3 H 96 3.750 3.911 -0.161 1 1 1172 . 10 1 1 A 96 96 GLY C C 96 178.400 175.481 2.919 1 1 1173 . 10 1 1 A 96 96 GLY CA C 96 47.100 47.014 0.086 1 1 1174 . 10 1 1 A 96 96 GLY N N 96 108.900 109.110 -0.210 1 1 1175 . 10 1 1 A 97 97 ASN H H 97 8.270 8.066 0.204 1 1 1176 . 10 1 1 A 97 97 ASN HA H 97 4.520 4.773 -0.253 1 1 1181 . 10 1 1 A 97 97 ASN CA C 97 52.900 52.454 0.446 1 1 1182 . 10 1 1 A 97 97 ASN CB C 97 38.100 38.125 -0.025 1 1 1183 . 10 1 1 A 97 97 ASN N N 97 119.460 118.895 0.565 1 1 1185 . 10 1 1 A 98 98 GLY H H 98 10.660 9.548 1.112 1 1 1186 . 10 1 1 A 98 98 GLY HA2 H 98 3.330 3.874 -0.544 1 1 1187 . 10 1 1 A 98 98 GLY HA3 H 98 3.960 3.961 -0.001 1 1 1188 . 10 1 1 A 98 98 GLY C C 98 178.360 172.886 5.474 1 1 1189 . 10 1 1 A 98 98 GLY CA C 98 45.800 45.451 0.349 1 1 1190 . 10 1 1 A 98 98 GLY N N 98 112.700 111.802 0.898 1 1 1191 . 10 1 1 A 99 99 TYR H H 99 7.570 8.127 -0.557 1 1 1192 . 10 1 1 A 99 99 TYR HA H 99 4.850 5.307 -0.457 1 1 1199 . 10 1 1 A 99 99 TYR C C 99 176.090 175.043 1.047 1 1 1200 . 10 1 1 A 99 99 TYR CA C 99 56.250 56.065 0.185 1 1 1201 . 10 1 1 A 99 99 TYR CB C 99 42.700 43.111 -0.411 1 1 1206 . 10 1 1 A 99 99 TYR N N 99 115.850 117.451 -1.601 1 1 1207 . 10 1 1 A 100 100 ILE H H 100 10.120 9.148 0.972 1 1 1208 . 10 1 1 A 100 100 ILE HA H 100 4.600 4.818 -0.218 1 1 1218 . 10 1 1 A 100 100 ILE C C 100 172.730 175.276 -2.546 1 1 1219 . 10 1 1 A 100 100 ILE CA C 100 61.500 60.508 0.992 1 1 1220 . 10 1 1 A 100 100 ILE CB C 100 39.300 39.018 0.282 1 1 1224 . 10 1 1 A 100 100 ILE N N 100 127.260 125.108 2.152 1 1 1225 . 10 1 1 A 101 101 SER H H 101 9.010 9.294 -0.284 1 1 1226 . 10 1 1 A 101 101 SER HA H 101 4.820 4.836 -0.016 1 1 1229 . 10 1 1 A 101 101 SER C C 101 174.660 175.753 -1.093 1 1 1230 . 10 1 1 A 101 101 SER CA C 101 55.900 57.442 -1.542 1 1 1231 . 10 1 1 A 101 101 SER CB C 101 67.000 64.720 2.280 1 1 1232 . 10 1 1 A 101 101 SER N N 101 123.850 122.750 1.100 1 1 1233 . 10 1 1 A 102 102 ALA H H 102 9.240 9.038 0.202 1 1 1234 . 10 1 1 A 102 102 ALA HA H 102 3.830 4.037 -0.207 1 1 1238 . 10 1 1 A 102 102 ALA C C 102 175.840 179.876 -4.036 1 1 1239 . 10 1 1 A 102 102 ALA CA C 102 56.170 55.786 0.384 1 1 1240 . 10 1 1 A 102 102 ALA CB C 102 18.200 17.984 0.216 1 1 1241 . 10 1 1 A 102 102 ALA N N 102 122.650 130.248 -7.598 1 1 1242 . 10 1 1 A 103 103 ALA H H 103 8.180 8.178 0.002 1 1 1243 . 10 1 1 A 103 103 ALA HA H 103 3.980 3.983 -0.003 1 1 1247 . 10 1 1 A 103 103 ALA C C 103 175.260 180.247 -4.987 1 1 1248 . 10 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 10 1 1 A 103 103 ALA CB C 103 18.500 18.709 -0.209 1 1 1250 . 10 1 1 A 103 103 ALA N N 103 118.250 119.604 -1.354 1 1 1251 . 10 1 1 A 104 104 GLU H H 104 7.860 7.886 -0.026 1 1 1252 . 10 1 1 A 104 104 GLU HA H 104 3.890 3.900 -0.010 1 1 1257 . 10 1 1 A 104 104 GLU C C 104 179.350 179.038 0.312 1 1 1258 . 10 1 1 A 104 104 GLU CA C 104 59.800 59.408 0.392 1 1 1259 . 10 1 1 A 104 104 GLU CB C 104 29.500 29.720 -0.220 1 1 1261 . 10 1 1 A 104 104 GLU N N 104 120.200 118.071 2.129 1 1 1262 . 10 1 1 A 105 105 LEU H H 105 8.500 7.938 0.562 1 1 1263 . 10 1 1 A 105 105 LEU HA H 105 3.960 3.943 0.017 1 1 1273 . 10 1 1 A 105 105 LEU C C 105 179.190 178.511 0.679 1 1 1274 . 10 1 1 A 105 105 LEU CA C 105 58.400 57.909 0.491 1 1 1275 . 10 1 1 A 105 105 LEU CB C 105 42.600 41.706 0.894 1 1 1279 . 10 1 1 A 105 105 LEU N N 105 120.100 121.165 -1.065 1 1 1280 . 10 1 1 A 106 106 ARG H H 106 8.490 8.279 0.211 1 1 1281 . 10 1 1 A 106 106 ARG HA H 106 3.550 3.932 -0.382 1 1 1288 . 10 1 1 A 106 106 ARG C C 106 175.240 178.390 -3.150 1 1 1289 . 10 1 1 A 106 106 ARG CA C 106 60.300 59.233 1.067 1 1 1290 . 10 1 1 A 106 106 ARG CB C 106 30.400 29.884 0.516 1 1 1293 . 10 1 1 A 106 106 ARG N N 106 117.300 120.030 -2.730 1 1 1294 . 10 1 1 A 107 107 HIS H H 107 7.870 7.991 -0.121 1 1 1295 . 10 1 1 A 107 107 HIS HA H 107 4.120 4.138 -0.018 1 1 1300 . 10 1 1 A 107 107 HIS C C 107 176.690 177.309 -0.619 1 1 1301 . 10 1 1 A 107 107 HIS CA C 107 60.300 59.303 0.997 1 1 1302 . 10 1 1 A 107 107 HIS CB C 107 31.100 29.608 1.492 1 1 1304 . 10 1 1 A 107 107 HIS N N 107 120.000 119.493 0.507 1 1 1306 . 10 1 1 A 108 108 VAL H H 108 8.190 8.640 -0.450 1 1 1307 . 10 1 1 A 108 108 VAL HA H 108 3.400 3.389 0.011 1 1 1315 . 10 1 1 A 108 108 VAL C C 108 178.430 177.822 0.608 1 1 1316 . 10 1 1 A 108 108 VAL CA C 108 66.500 66.431 0.069 1 1 1317 . 10 1 1 A 108 108 VAL CB C 108 31.800 31.063 0.737 1 1 1320 . 10 1 1 A 108 108 VAL N N 108 118.980 119.526 -0.546 1 1 1321 . 10 1 1 A 109 109 MET H H 109 8.180 7.645 0.535 1 1 1322 . 10 1 1 A 109 109 MET HA H 109 4.220 4.046 0.174 1 1 1330 . 10 1 1 A 109 109 MET C C 109 179.690 178.208 1.482 1 1 1331 . 10 1 1 A 109 109 MET CA C 109 57.300 58.778 -1.478 1 1 1332 . 10 1 1 A 109 109 MET CB C 109 29.700 32.521 -2.821 1 1 1335 . 10 1 1 A 109 109 MET N N 109 114.980 117.530 -2.550 1 1 1336 . 10 1 1 A 110 110 THR H H 110 8.220 8.172 0.048 1 1 1337 . 10 1 1 A 110 110 THR HA H 110 4.000 3.945 0.055 1 1 1342 . 10 1 1 A 110 110 THR C C 110 176.410 177.158 -0.748 1 1 1343 . 10 1 1 A 110 110 THR CA C 110 67.100 65.919 1.181 1 1 1344 . 10 1 1 A 110 110 THR CB C 110 68.500 68.080 0.420 1 1 1346 . 10 1 1 A 110 110 THR N N 110 116.970 113.003 3.967 1 1 1347 . 10 1 1 A 111 111 ASN H H 111 7.780 7.650 0.130 1 1 1348 . 10 1 1 A 111 111 ASN HA H 111 4.320 4.575 -0.255 1 1 1353 . 10 1 1 A 111 111 ASN CA C 111 55.800 56.106 -0.306 1 1 1354 . 10 1 1 A 111 111 ASN CB C 111 38.200 37.943 0.257 1 1 1355 . 10 1 1 A 111 111 ASN N N 111 122.350 121.186 1.164 1 1 1357 . 10 1 1 A 112 112 LEU H H 112 7.480 7.389 0.091 1 1 1358 . 10 1 1 A 112 112 LEU HA H 112 4.210 4.275 -0.065 1 1 1368 . 10 1 1 A 112 112 LEU C C 112 178.710 177.021 1.689 1 1 1369 . 10 1 1 A 112 112 LEU CA C 112 55.100 55.216 -0.116 1 1 1370 . 10 1 1 A 112 112 LEU CB C 112 42.500 42.546 -0.046 1 1 1374 . 10 1 1 A 112 112 LEU N N 112 118.300 117.162 1.138 1 1 1375 . 10 1 1 A 113 113 GLY H H 113 7.740 7.793 -0.053 1 1 1376 . 10 1 1 A 113 113 GLY HA2 H 113 3.580 3.921 -0.341 1 1 1377 . 10 1 1 A 113 113 GLY HA3 H 113 4.140 3.932 0.208 1 1 1378 . 10 1 1 A 113 113 GLY C C 113 176.830 174.792 2.038 1 1 1379 . 10 1 1 A 113 113 GLY CA C 113 45.370 46.451 -1.081 1 1 1380 . 10 1 1 A 113 113 GLY N N 113 106.500 108.321 -1.821 1 1 1381 . 10 1 1 A 114 114 GLU H H 114 7.780 7.883 -0.103 1 1 1382 . 10 1 1 A 114 114 GLU HA H 114 4.240 4.215 0.025 1 1 1387 . 10 1 1 A 114 114 GLU C C 114 176.790 176.037 0.753 1 1 1388 . 10 1 1 A 114 114 GLU CA C 114 54.800 58.125 -3.325 1 1 1389 . 10 1 1 A 114 114 GLU CB C 114 29.900 30.173 -0.273 1 1 1391 . 10 1 1 A 114 114 GLU N N 114 119.300 121.390 -2.090 1 1 1392 . 10 1 1 A 115 115 LYS H H 115 8.540 7.838 0.702 1 1 1393 . 10 1 1 A 115 115 LYS HA H 115 4.270 3.773 0.497 1 1 1402 . 10 1 1 A 115 115 LYS C C 115 174.300 175.679 -1.379 1 1 1403 . 10 1 1 A 115 115 LYS CA C 115 55.500 57.081 -1.581 1 1 1404 . 10 1 1 A 115 115 LYS CB C 115 31.900 30.322 1.578 1 1 1408 . 10 1 1 A 115 115 LYS N N 115 125.000 118.280 6.720 1 1 1409 . 10 1 1 A 116 116 LEU H H 116 8.000 7.947 0.053 1 1 1410 . 10 1 1 A 116 116 LEU HA H 116 4.630 4.344 0.286 1 1 1420 . 10 1 1 A 116 116 LEU C C 116 175.060 176.589 -1.529 1 1 1421 . 10 1 1 A 116 116 LEU CA C 116 54.100 54.741 -0.641 1 1 1422 . 10 1 1 A 116 116 LEU CB C 116 44.100 42.583 1.517 1 1 1426 . 10 1 1 A 116 116 LEU N N 116 123.620 120.267 3.353 1 1 1427 . 10 1 1 A 117 117 THR H H 117 9.140 8.538 0.602 1 1 1428 . 10 1 1 A 117 117 THR HA H 117 4.340 4.615 -0.275 1 1 1433 . 10 1 1 A 117 117 THR C C 117 175.610 175.004 0.606 1 1 1434 . 10 1 1 A 117 117 THR CA C 117 60.500 61.012 -0.512 1 1 1435 . 10 1 1 A 117 117 THR CB C 117 71.100 70.457 0.643 1 1 1437 . 10 1 1 A 117 117 THR N N 117 114.240 116.359 -2.119 1 1 1438 . 10 1 1 A 118 118 ASP H H 118 8.820 8.947 -0.127 1 1 1439 . 10 1 1 A 118 118 ASP HA H 118 4.100 4.301 -0.201 1 1 1442 . 10 1 1 A 118 118 ASP C C 118 178.610 178.268 0.342 1 1 1443 . 10 1 1 A 118 118 ASP CA C 118 58.000 58.149 -0.149 1 1 1444 . 10 1 1 A 118 118 ASP CB C 118 39.700 40.266 -0.566 1 1 1445 . 10 1 1 A 118 118 ASP N N 118 120.660 126.410 -5.750 1 1 1446 . 10 1 1 A 119 119 GLU H H 119 8.450 7.825 0.625 1 1 1447 . 10 1 1 A 119 119 GLU HA H 119 3.960 4.005 -0.045 1 1 1452 . 10 1 1 A 119 119 GLU C C 119 175.620 179.256 -3.636 1 1 1453 . 10 1 1 A 119 119 GLU CA C 119 59.800 59.699 0.101 1 1 1454 . 10 1 1 A 119 119 GLU CB C 119 29.400 29.357 0.043 1 1 1456 . 10 1 1 A 119 119 GLU N N 119 118.790 119.926 -1.136 1 1 1457 . 10 1 1 A 120 120 GLU H H 120 7.570 7.877 -0.307 1 1 1458 . 10 1 1 A 120 120 GLU HA H 120 3.950 4.172 -0.222 1 1 1463 . 10 1 1 A 120 120 GLU C C 120 178.630 179.004 -0.374 1 1 1464 . 10 1 1 A 120 120 GLU CA C 120 59.600 58.489 1.111 1 1 1465 . 10 1 1 A 120 120 GLU CB C 120 29.400 29.094 0.306 1 1 1467 . 10 1 1 A 120 120 GLU N N 120 120.120 117.757 2.363 1 1 1468 . 10 1 1 A 121 121 VAL H H 121 7.750 8.006 -0.256 1 1 1469 . 10 1 1 A 121 121 VAL HA H 121 3.240 3.552 -0.312 1 1 1477 . 10 1 1 A 121 121 VAL C C 121 179.110 177.512 1.598 1 1 1478 . 10 1 1 A 121 121 VAL CA C 121 67.300 66.324 0.976 1 1 1479 . 10 1 1 A 121 121 VAL CB C 121 31.550 31.583 -0.033 1 1 1482 . 10 1 1 A 121 121 VAL N N 121 119.400 121.443 -2.043 1 1 1483 . 10 1 1 A 122 122 ASP H H 122 7.840 8.010 -0.170 1 1 1484 . 10 1 1 A 122 122 ASP HA H 122 4.260 4.367 -0.107 1 1 1487 . 10 1 1 A 122 122 ASP C C 122 178.890 178.674 0.216 1 1 1488 . 10 1 1 A 122 122 ASP CA C 122 57.700 57.217 0.483 1 1 1489 . 10 1 1 A 122 122 ASP CB C 122 40.200 40.173 0.027 1 1 1490 . 10 1 1 A 122 122 ASP N N 122 118.550 119.586 -1.036 1 1 1491 . 10 1 1 A 123 123 GLU H H 123 8.110 8.268 -0.158 1 1 1492 . 10 1 1 A 123 123 GLU HA H 123 3.880 4.043 -0.163 1 1 1497 . 10 1 1 A 123 123 GLU C C 123 177.710 178.948 -1.238 1 1 1498 . 10 1 1 A 123 123 GLU CA C 123 59.600 59.340 0.260 1 1 1499 . 10 1 1 A 123 123 GLU CB C 123 29.400 29.252 0.148 1 1 1501 . 10 1 1 A 123 123 GLU N N 123 119.670 119.865 -0.195 1 1 1502 . 10 1 1 A 124 124 MET H H 124 8.000 8.186 -0.186 1 1 1503 . 10 1 1 A 124 124 MET HA H 124 3.700 4.151 -0.451 1 1 1511 . 10 1 1 A 124 124 MET C C 124 179.020 178.891 0.129 1 1 1512 . 10 1 1 A 124 124 MET CA C 124 60.700 58.796 1.904 1 1 1513 . 10 1 1 A 124 124 MET CB C 124 33.200 32.868 0.332 1 1 1516 . 10 1 1 A 124 124 MET N N 124 118.100 118.574 -0.474 1 1 1517 . 10 1 1 A 125 125 ILE H H 125 8.220 7.808 0.412 1 1 1518 . 10 1 1 A 125 125 ILE HA H 125 3.610 3.613 -0.003 1 1 1528 . 10 1 1 A 125 125 ILE C C 125 179.410 177.819 1.591 1 1 1529 . 10 1 1 A 125 125 ILE CA C 125 64.200 65.042 -0.842 1 1 1530 . 10 1 1 A 125 125 ILE CB C 125 36.000 37.775 -1.775 1 1 1534 . 10 1 1 A 125 125 ILE N N 125 121.400 119.495 1.905 1 1 1535 . 10 1 1 A 126 126 ARG H H 126 8.510 8.155 0.355 1 1 1536 . 10 1 1 A 126 126 ARG HA H 126 3.930 3.918 0.012 1 1 1543 . 10 1 1 A 126 126 ARG C C 126 178.070 179.034 -0.964 1 1 1544 . 10 1 1 A 126 126 ARG CA C 126 59.500 60.128 -0.628 1 1 1545 . 10 1 1 A 126 126 ARG CB C 126 30.300 29.874 0.426 1 1 1548 . 10 1 1 A 126 126 ARG N N 126 117.650 119.916 -2.266 1 1 1549 . 10 1 1 A 127 127 GLU H H 127 7.820 8.190 -0.370 1 1 1550 . 10 1 1 A 127 127 GLU HA H 127 3.880 4.026 -0.146 1 1 1555 . 10 1 1 A 127 127 GLU C C 127 180.080 178.028 2.052 1 1 1556 . 10 1 1 A 127 127 GLU CA C 127 58.300 59.261 -0.961 1 1 1557 . 10 1 1 A 127 127 GLU CB C 127 29.800 29.349 0.451 1 1 1559 . 10 1 1 A 127 127 GLU N N 127 115.300 119.667 -4.367 1 1 1560 . 10 1 1 A 128 128 ALA H H 128 6.960 7.243 -0.283 1 1 1561 . 10 1 1 A 128 128 ALA HA H 128 4.340 4.360 -0.020 1 1 1565 . 10 1 1 A 128 128 ALA C C 128 181.640 177.186 4.454 1 1 1566 . 10 1 1 A 128 128 ALA CA C 128 51.700 51.975 -0.275 1 1 1567 . 10 1 1 A 128 128 ALA CB C 128 22.400 20.137 2.263 1 1 1568 . 10 1 1 A 128 128 ALA N N 128 115.890 120.906 -5.016 1 1 1569 . 10 1 1 A 129 129 ASP H H 129 8.210 7.776 0.434 1 1 1570 . 10 1 1 A 129 129 ASP HA H 129 4.360 4.581 -0.221 1 1 1573 . 10 1 1 A 129 129 ASP C C 129 176.420 176.565 -0.145 1 1 1574 . 10 1 1 A 129 129 ASP CA C 129 54.300 54.065 0.235 1 1 1575 . 10 1 1 A 129 129 ASP CB C 129 40.400 40.586 -0.186 1 1 1576 . 10 1 1 A 129 129 ASP N N 129 117.100 118.655 -1.555 1 1 1577 . 10 1 1 A 130 130 ILE H H 130 8.250 8.725 -0.475 1 1 1578 . 10 1 1 A 130 130 ILE HA H 130 3.800 4.141 -0.341 1 1 1588 . 10 1 1 A 130 130 ILE C C 130 177.960 175.271 2.689 1 1 1589 . 10 1 1 A 130 130 ILE CA C 130 63.500 62.906 0.594 1 1 1590 . 10 1 1 A 130 130 ILE CB C 130 38.500 38.457 0.043 1 1 1594 . 10 1 1 A 130 130 ILE N N 130 127.900 126.805 1.095 1 1 1595 . 10 1 1 A 131 131 ASP H H 131 8.220 7.623 0.597 1 1 1596 . 10 1 1 A 131 131 ASP HA H 131 4.400 4.969 -0.569 1 1 1599 . 10 1 1 A 131 131 ASP C C 131 175.850 175.917 -0.067 1 1 1600 . 10 1 1 A 131 131 ASP CA C 131 53.800 52.557 1.243 1 1 1601 . 10 1 1 A 131 131 ASP CB C 131 39.900 44.027 -4.127 1 1 1602 . 10 1 1 A 131 131 ASP N N 131 116.250 117.753 -1.503 1 1 1603 . 10 1 1 A 132 132 GLY H H 132 7.520 9.070 -1.550 1 1 1604 . 10 1 1 A 132 132 GLY HA2 H 132 3.700 3.902 -0.202 1 1 1605 . 10 1 1 A 132 132 GLY HA3 H 132 3.900 3.907 -0.007 1 1 1606 . 10 1 1 A 132 132 GLY C C 132 177.820 175.072 2.748 1 1 1607 . 10 1 1 A 132 132 GLY CA C 132 47.400 47.236 0.164 1 1 1608 . 10 1 1 A 132 132 GLY N N 132 108.170 108.095 0.075 1 1 1609 . 10 1 1 A 133 133 ASP H H 133 8.240 8.294 -0.054 1 1 1610 . 10 1 1 A 133 133 ASP HA H 133 4.360 4.560 -0.200 1 1 1613 . 10 1 1 A 133 133 ASP C C 133 178.290 177.547 0.743 1 1 1614 . 10 1 1 A 133 133 ASP CA C 133 53.800 53.502 0.298 1 1 1615 . 10 1 1 A 133 133 ASP CB C 133 40.300 40.316 -0.016 1 1 1616 . 10 1 1 A 133 133 ASP N N 133 120.370 120.269 0.101 1 1 1617 . 10 1 1 A 134 134 GLY H H 134 10.140 9.488 0.652 1 1 1618 . 10 1 1 A 134 134 GLY HA2 H 134 3.300 3.839 -0.539 1 1 1619 . 10 1 1 A 134 134 GLY HA3 H 134 3.930 3.849 0.081 1 1 1620 . 10 1 1 A 134 134 GLY C C 134 175.350 173.248 2.102 1 1 1621 . 10 1 1 A 134 134 GLY CA C 134 45.900 45.637 0.263 1 1 1622 . 10 1 1 A 134 134 GLY N N 134 112.150 111.332 0.818 1 1 1623 . 10 1 1 A 135 135 GLN H H 135 7.910 8.144 -0.234 1 1 1624 . 10 1 1 A 135 135 GLN HA H 135 4.870 5.007 -0.137 1 1 1631 . 10 1 1 A 135 135 GLN C C 135 177.620 174.540 3.080 1 1 1632 . 10 1 1 A 135 135 GLN CA C 135 53.300 53.676 -0.376 1 1 1633 . 10 1 1 A 135 135 GLN CB C 135 33.000 32.650 0.350 1 1 1635 . 10 1 1 A 135 135 GLN N N 135 114.700 118.463 -3.763 1 1 1637 . 10 1 1 A 136 136 VAL H H 136 9.070 8.846 0.224 1 1 1638 . 10 1 1 A 136 136 VAL HA H 136 5.110 5.215 -0.105 1 1 1646 . 10 1 1 A 136 136 VAL C C 136 172.750 175.391 -2.641 1 1 1647 . 10 1 1 A 136 136 VAL CA C 136 61.800 61.712 0.088 1 1 1648 . 10 1 1 A 136 136 VAL CB C 136 34.100 33.083 1.017 1 1 1651 . 10 1 1 A 136 136 VAL N N 136 124.900 122.424 2.476 1 1 1652 . 10 1 1 A 137 137 ASN H H 137 9.450 8.826 0.624 1 1 1653 . 10 1 1 A 137 137 ASN HA H 137 5.240 4.963 0.277 1 1 1658 . 10 1 1 A 137 137 ASN CA C 137 51.400 52.218 -0.818 1 1 1659 . 10 1 1 A 137 137 ASN CB C 137 40.000 40.225 -0.225 1 1 1660 . 10 1 1 A 137 137 ASN N N 137 128.840 126.482 2.358 1 1 1662 . 10 1 1 A 138 138 TYR H H 138 8.330 8.824 -0.494 1 1 1663 . 10 1 1 A 138 138 TYR HA H 138 3.240 4.280 -1.040 1 1 1670 . 10 1 1 A 138 138 TYR C C 138 180.030 177.158 2.872 1 1 1671 . 10 1 1 A 138 138 TYR CA C 138 62.400 62.289 0.111 1 1 1672 . 10 1 1 A 138 138 TYR CB C 138 38.000 38.460 -0.460 1 1 1677 . 10 1 1 A 138 138 TYR N N 138 118.150 125.992 -7.842 1 1 1678 . 10 1 1 A 139 139 GLU H H 139 7.990 8.180 -0.190 1 1 1679 . 10 1 1 A 139 139 GLU HA H 139 3.520 3.778 -0.258 1 1 1684 . 10 1 1 A 139 139 GLU C C 139 179.170 179.381 -0.211 1 1 1685 . 10 1 1 A 139 139 GLU CA C 139 60.550 60.218 0.332 1 1 1686 . 10 1 1 A 139 139 GLU CB C 139 29.100 29.581 -0.481 1 1 1688 . 10 1 1 A 139 139 GLU N N 139 118.100 117.932 0.168 1 1 1689 . 10 1 1 A 140 140 GLU H H 140 8.640 8.129 0.511 1 1 1690 . 10 1 1 A 140 140 GLU HA H 140 3.780 4.065 -0.285 1 1 1695 . 10 1 1 A 140 140 GLU C C 140 181.440 179.003 2.437 1 1 1696 . 10 1 1 A 140 140 GLU CA C 140 58.800 59.121 -0.321 1 1 1697 . 10 1 1 A 140 140 GLU CB C 140 29.200 29.661 -0.461 1 1 1699 . 10 1 1 A 140 140 GLU N N 140 119.300 120.344 -1.044 1 1 1700 . 10 1 1 A 141 141 PHE H H 141 8.470 8.147 0.323 1 1 1701 . 10 1 1 A 141 141 PHE HA H 141 3.380 3.858 -0.478 1 1 1709 . 10 1 1 A 141 141 PHE C C 141 178.980 176.721 2.259 1 1 1710 . 10 1 1 A 141 141 PHE CA C 141 61.900 61.354 0.546 1 1 1711 . 10 1 1 A 141 141 PHE CB C 141 40.200 39.226 0.974 1 1 1717 . 10 1 1 A 141 141 PHE N N 141 123.640 121.737 1.903 1 1 1718 . 10 1 1 A 142 142 VAL H H 142 8.510 8.098 0.412 1 1 1719 . 10 1 1 A 142 142 VAL HA H 142 3.000 3.321 -0.321 1 1 1727 . 10 1 1 A 142 142 VAL C C 142 176.540 177.635 -1.095 1 1 1728 . 10 1 1 A 142 142 VAL CA C 142 66.900 66.358 0.542 1 1 1729 . 10 1 1 A 142 142 VAL CB C 142 31.450 31.257 0.193 1 1 1732 . 10 1 1 A 142 142 VAL N N 142 118.330 118.888 -0.558 1 1 1733 . 10 1 1 A 143 143 GLN H H 143 7.520 8.118 -0.598 1 1 1734 . 10 1 1 A 143 143 GLN HA H 143 3.750 3.908 -0.158 1 1 1741 . 10 1 1 A 143 143 GLN C C 143 176.630 178.176 -1.546 1 1 1742 . 10 1 1 A 143 143 GLN CA C 143 58.900 59.131 -0.231 1 1 1743 . 10 1 1 A 143 143 GLN CB C 143 28.200 28.139 0.061 1 1 1745 . 10 1 1 A 143 143 GLN N N 143 118.100 119.421 -1.321 1 1 1747 . 10 1 1 A 144 144 MET H H 144 7.250 7.791 -0.541 1 1 1748 . 10 1 1 A 144 144 MET HA H 144 4.090 4.204 -0.114 1 1 1756 . 10 1 1 A 144 144 MET C C 144 179.340 178.618 0.722 1 1 1757 . 10 1 1 A 144 144 MET CA C 144 56.750 57.709 -0.959 1 1 1758 . 10 1 1 A 144 144 MET CB C 144 30.800 32.523 -1.723 1 1 1761 . 10 1 1 A 144 144 MET N N 144 117.300 117.839 -0.539 1 1 1762 . 10 1 1 A 145 145 MET H H 145 7.460 7.808 -0.348 1 1 1763 . 10 1 1 A 145 145 MET HA H 145 3.900 3.985 -0.085 1 1 1771 . 10 1 1 A 145 145 MET C C 145 178.110 177.403 0.707 1 1 1772 . 10 1 1 A 145 145 MET CA C 145 56.800 57.933 -1.133 1 1 1773 . 10 1 1 A 145 145 MET CB C 145 31.800 33.600 -1.800 1 1 1776 . 10 1 1 A 145 145 MET N N 145 114.350 118.713 -4.363 1 1 1777 . 10 1 1 A 146 146 THR H H 146 7.560 8.205 -0.645 1 1 1778 . 10 1 1 A 146 146 THR HA H 146 4.220 4.368 -0.148 1 1 1783 . 10 1 1 A 146 146 THR C C 146 177.440 175.378 2.062 1 1 1784 . 10 1 1 A 146 146 THR CA C 146 62.650 61.331 1.319 1 1 1785 . 10 1 1 A 146 146 THR CB C 146 69.700 69.103 0.597 1 1 1787 . 10 1 1 A 146 146 THR N N 146 109.350 109.061 0.289 1 1 1788 . 10 1 1 A 147 147 ALA H H 147 7.420 7.893 -0.473 1 1 1789 . 10 1 1 A 147 147 ALA HA H 147 4.170 3.982 0.188 1 1 1793 . 10 1 1 A 147 147 ALA C C 147 177.480 177.385 0.095 1 1 1794 . 10 1 1 A 147 147 ALA CA C 147 52.900 55.030 -2.130 1 1 1795 . 10 1 1 A 147 147 ALA CB C 147 19.200 18.922 0.278 1 1 1796 . 10 1 1 A 147 147 ALA N N 147 125.650 125.335 0.315 1 1 1814 . 10 2 2 B 1 1 ARG H H 1088 8.270 8.724 -0.454 1 1 1815 . 10 2 2 B 1 1 ARG HA H 1088 3.860 3.956 -0.096 1 1 1822 . 10 2 2 B 1 1 ARG CA C 1088 59.900 56.956 2.944 1 1 1823 . 10 2 2 B 1 1 ARG CB C 1088 29.900 27.824 2.076 1 1 1826 . 10 2 2 B 1 1 ARG N N 1088 117.300 126.549 -9.249 1 1 1827 . 10 2 2 B 2 2 GLY H H 1089 9.370 7.869 1.501 1 1 1828 . 10 2 2 B 2 2 GLY HA2 H 1089 3.520 3.988 -0.468 1 1 1829 . 10 2 2 B 2 2 GLY HA3 H 1089 3.730 4.014 -0.284 1 1 1830 . 10 2 2 B 2 2 GLY C C 1089 176.650 175.718 0.932 1 1 1831 . 10 2 2 B 2 2 GLY CA C 1089 47.200 46.579 0.621 1 1 1832 . 10 2 2 B 2 2 GLY N N 1089 105.000 105.987 -0.987 1 1 1833 . 10 2 2 B 3 3 GLN H H 1090 6.980 7.864 -0.884 1 1 1834 . 10 2 2 B 3 3 GLN HA H 1090 3.830 4.160 -0.330 1 1 1841 . 10 2 2 B 3 3 GLN C C 1090 177.680 178.637 -0.957 1 1 1842 . 10 2 2 B 3 3 GLN CA C 1090 59.100 58.691 0.409 1 1 1843 . 10 2 2 B 3 3 GLN CB C 1090 29.800 28.549 1.251 1 1 1845 . 10 2 2 B 3 3 GLN N N 1090 117.350 120.036 -2.686 1 1 1847 . 10 2 2 B 4 4 ILE H H 1091 7.760 7.835 -0.075 1 1 1848 . 10 2 2 B 4 4 ILE HA H 1091 3.480 3.655 -0.175 1 1 1858 . 10 2 2 B 4 4 ILE C C 1091 175.070 178.234 -3.164 1 1 1859 . 10 2 2 B 4 4 ILE CA C 1091 65.600 65.948 -0.348 1 1 1860 . 10 2 2 B 4 4 ILE CB C 1091 38.000 38.179 -0.179 1 1 1864 . 10 2 2 B 4 4 ILE N N 1091 119.650 121.098 -1.448 1 1 1865 . 10 2 2 B 5 5 LEU H H 1092 7.830 8.352 -0.522 1 1 1866 . 10 2 2 B 5 5 LEU HA H 1092 3.820 3.900 -0.080 1 1 1876 . 10 2 2 B 5 5 LEU C C 1092 176.220 179.210 -2.990 1 1 1877 . 10 2 2 B 5 5 LEU CA C 1092 58.250 58.365 -0.115 1 1 1878 . 10 2 2 B 5 5 LEU CB C 1092 41.700 42.184 -0.484 1 1 1882 . 10 2 2 B 5 5 LEU N N 1092 119.200 118.708 0.492 1 1 1883 . 10 2 2 B 6 6 TRP H H 1093 7.650 8.278 -0.628 1 1 1884 . 10 2 2 B 6 6 TRP HA H 1093 4.120 4.347 -0.227 1 1 1893 . 10 2 2 B 6 6 TRP C C 1093 178.490 179.261 -0.771 1 1 1894 . 10 2 2 B 6 6 TRP CA C 1093 61.100 60.528 0.572 1 1 1895 . 10 2 2 B 6 6 TRP CB C 1093 30.000 29.363 0.637 1 1 1901 . 10 2 2 B 6 6 TRP N N 1093 119.200 118.744 0.456 1 1 1903 . 10 2 2 B 7 7 PHE H H 1094 8.400 8.368 0.032 1 1 1904 . 10 2 2 B 7 7 PHE HA H 1094 4.390 4.228 0.162 1 1 1912 . 10 2 2 B 7 7 PHE C C 1094 178.840 177.388 1.452 1 1 1913 . 10 2 2 B 7 7 PHE CA C 1094 59.700 61.419 -1.719 1 1 1914 . 10 2 2 B 7 7 PHE CB C 1094 37.000 39.160 -2.160 1 1 1919 . 10 2 2 B 7 7 PHE N N 1094 117.800 120.089 -2.289 1 1 1920 . 10 2 2 B 8 8 ARG H H 1095 8.360 8.253 0.107 1 1 1921 . 10 2 2 B 8 8 ARG HA H 1095 4.140 4.177 -0.037 1 1 1928 . 10 2 2 B 8 8 ARG C C 1095 178.290 179.120 -0.830 1 1 1929 . 10 2 2 B 8 8 ARG CA C 1095 59.600 59.766 -0.166 1 1 1930 . 10 2 2 B 8 8 ARG CB C 1095 30.500 30.160 0.340 1 1 1933 . 10 2 2 B 8 8 ARG N N 1095 120.800 118.015 2.785 1 1 1934 . 10 2 2 B 9 9 GLY H H 1096 8.330 8.330 0.000 1 1 1935 . 10 2 2 B 9 9 GLY HA2 H 1096 3.560 3.640 -0.080 1 1 1936 . 10 2 2 B 9 9 GLY HA3 H 1096 3.720 3.671 0.049 1 1 1937 . 10 2 2 B 9 9 GLY C C 1096 178.010 175.630 2.380 1 1 1938 . 10 2 2 B 9 9 GLY CA C 1096 47.200 47.325 -0.125 1 1 1939 . 10 2 2 B 9 9 GLY N N 1096 106.400 107.240 -0.840 1 1 1940 . 10 2 2 B 10 10 LEU H H 1097 9.090 7.715 1.375 1 1 1941 . 10 2 2 B 10 10 LEU HA H 1097 4.150 3.943 0.207 1 1 1951 . 10 2 2 B 10 10 LEU C C 1097 178.820 178.418 0.402 1 1 1952 . 10 2 2 B 10 10 LEU CA C 1097 58.500 57.245 1.255 1 1 1953 . 10 2 2 B 10 10 LEU CB C 1097 41.600 41.039 0.561 1 1 1957 . 10 2 2 B 10 10 LEU N N 1097 120.900 122.658 -1.758 1 1 1958 . 10 2 2 B 11 11 ASN H H 1098 8.380 8.115 0.265 1 1 1959 . 10 2 2 B 11 11 ASN HA H 1098 4.440 4.319 0.121 1 1 1964 . 10 2 2 B 11 11 ASN CA C 1098 56.700 56.958 -0.258 1 1 1965 . 10 2 2 B 11 11 ASN CB C 1098 38.700 39.851 -1.151 1 1 1966 . 10 2 2 B 11 11 ASN N N 1098 116.900 117.057 -0.157 1 1 1968 . 10 2 2 B 12 12 ARG H H 1099 7.900 7.599 0.301 1 1 1969 . 10 2 2 B 12 12 ARG HA H 1099 3.980 4.095 -0.115 1 1 1976 . 10 2 2 B 12 12 ARG C C 1099 178.360 178.377 -0.017 1 1 1977 . 10 2 2 B 12 12 ARG CA C 1099 60.200 59.113 1.087 1 1 1978 . 10 2 2 B 12 12 ARG CB C 1099 32.600 30.006 2.594 1 1 1981 . 10 2 2 B 12 12 ARG N N 1099 120.100 118.544 1.556 1 1 1982 . 10 2 2 B 13 13 ILE H H 1100 8.230 7.962 0.268 1 1 1983 . 10 2 2 B 13 13 ILE HA H 1100 3.840 3.652 0.188 1 1 1993 . 10 2 2 B 13 13 ILE C C 1100 178.110 177.976 0.134 1 1 1994 . 10 2 2 B 13 13 ILE CA C 1100 63.800 65.442 -1.642 1 1 1995 . 10 2 2 B 13 13 ILE CB C 1100 37.300 37.513 -0.213 1 1 1999 . 10 2 2 B 13 13 ILE N N 1100 120.350 121.062 -0.712 1 1 2000 . 10 2 2 B 14 14 GLN H H 1101 8.830 7.807 1.023 1 1 2001 . 10 2 2 B 14 14 GLN HA H 1101 3.990 3.935 0.055 1 1 2008 . 10 2 2 B 14 14 GLN C C 1101 177.860 178.752 -0.892 1 1 2009 . 10 2 2 B 14 14 GLN CA C 1101 60.000 59.159 0.841 1 1 2010 . 10 2 2 B 14 14 GLN CB C 1101 28.800 28.376 0.424 1 1 2012 . 10 2 2 B 14 14 GLN N N 1101 118.700 117.932 0.768 1 1 2014 . 10 2 2 B 15 15 THR H H 1102 8.140 7.647 0.493 1 1 2015 . 10 2 2 B 15 15 THR HA H 1102 3.890 3.800 0.090 1 1 2020 . 10 2 2 B 15 15 THR C C 1102 177.470 176.566 0.904 1 1 2021 . 10 2 2 B 15 15 THR CA C 1102 67.400 67.506 -0.106 1 1 2022 . 10 2 2 B 15 15 THR CB C 1102 70.300 68.529 1.771 1 1 2024 . 10 2 2 B 15 15 THR N N 1102 117.500 117.394 0.106 1 1 2025 . 10 2 2 B 16 16 GLN H H 1103 8.320 8.361 -0.041 1 1 2026 . 10 2 2 B 16 16 GLN HA H 1103 4.100 3.939 0.161 1 1 2033 . 10 2 2 B 16 16 GLN C C 1103 178.890 178.669 0.221 1 1 2034 . 10 2 2 B 16 16 GLN CA C 1103 60.600 59.251 1.349 1 1 2035 . 10 2 2 B 16 16 GLN CB C 1103 30.500 28.482 2.018 1 1 2037 . 10 2 2 B 16 16 GLN N N 1103 120.650 119.147 1.503 1 1 2039 . 10 2 2 B 17 17 ILE H H 1104 8.690 7.415 1.275 1 1 2040 . 10 2 2 B 17 17 ILE HA H 1104 3.470 3.998 -0.528 1 1 2050 . 10 2 2 B 17 17 ILE C C 1104 175.230 177.966 -2.736 1 1 2051 . 10 2 2 B 17 17 ILE CA C 1104 66.150 62.170 3.980 1 1 2052 . 10 2 2 B 17 17 ILE CB C 1104 38.300 37.984 0.316 1 1 2056 . 10 2 2 B 17 17 ILE N N 1104 119.400 120.128 -0.728 1 1 2057 . 10 2 2 B 18 18 LYS H H 1105 7.950 8.923 -0.973 1 1 2058 . 10 2 2 B 18 18 LYS HA H 1105 3.900 3.990 -0.090 1 1 2067 . 10 2 2 B 18 18 LYS C C 1105 177.660 178.630 -0.970 1 1 2068 . 10 2 2 B 18 18 LYS CA C 1105 60.050 59.821 0.229 1 1 2069 . 10 2 2 B 18 18 LYS CB C 1105 32.700 32.392 0.308 1 1 2073 . 10 2 2 B 18 18 LYS N N 1105 120.280 123.494 -3.214 1 1 2074 . 10 2 2 B 19 19 VAL H H 1106 8.280 7.668 0.612 1 1 2075 . 10 2 2 B 19 19 VAL HA H 1106 3.430 3.783 -0.353 1 1 2083 . 10 2 2 B 19 19 VAL C C 1106 177.660 178.348 -0.688 1 1 2084 . 10 2 2 B 19 19 VAL CA C 1106 65.900 66.622 -0.722 1 1 2085 . 10 2 2 B 19 19 VAL CB C 1106 31.400 31.754 -0.354 1 1 2088 . 10 2 2 B 19 19 VAL N N 1106 120.660 119.292 1.368 1 1 2089 . 10 2 2 B 20 20 VAL H H 1107 8.420 8.034 0.386 1 1 2090 . 10 2 2 B 20 20 VAL HA H 1107 3.580 3.896 -0.316 1 1 2098 . 10 2 2 B 20 20 VAL C C 1107 178.930 178.232 0.698 1 1 2099 . 10 2 2 B 20 20 VAL CA C 1107 68.390 66.001 2.389 1 1 2100 . 10 2 2 B 20 20 VAL CB C 1107 31.200 31.473 -0.273 1 1 2103 . 10 2 2 B 20 20 VAL N N 1107 119.990 116.472 3.518 1 1 2104 . 10 2 2 B 21 21 LYS H H 1108 8.300 8.191 0.109 1 1 2105 . 10 2 2 B 21 21 LYS HA H 1108 4.050 4.135 -0.085 1 1 2114 . 10 2 2 B 21 21 LYS C C 1108 177.230 178.902 -1.672 1 1 2115 . 10 2 2 B 21 21 LYS CA C 1108 59.980 59.843 0.137 1 1 2116 . 10 2 2 B 21 21 LYS CB C 1108 32.400 32.194 0.206 1 1 2120 . 10 2 2 B 21 21 LYS N N 1108 119.290 122.158 -2.868 1 1 2121 . 10 2 2 B 22 22 ALA H H 1109 7.690 8.094 -0.404 1 1 2122 . 10 2 2 B 22 22 ALA HA H 1109 3.900 4.194 -0.294 1 1 2126 . 10 2 2 B 22 22 ALA C C 1109 178.200 179.755 -1.555 1 1 2127 . 10 2 2 B 22 22 ALA CA C 1109 54.950 55.162 -0.212 1 1 2128 . 10 2 2 B 22 22 ALA CB C 1109 22.000 18.714 3.286 1 1 2129 . 10 2 2 B 22 22 ALA N N 1109 123.910 122.341 1.569 1 1 2130 . 10 2 2 B 23 23 PHE H H 1110 7.920 8.320 -0.400 1 1 2131 . 10 2 2 B 23 23 PHE HA H 1110 4.120 4.233 -0.113 1 1 2139 . 10 2 2 B 23 23 PHE C C 1110 178.840 178.293 0.547 1 1 2140 . 10 2 2 B 23 23 PHE CA C 1110 61.260 60.638 0.622 1 1 2141 . 10 2 2 B 23 23 PHE CB C 1110 40.200 38.972 1.228 1 1 2147 . 10 2 2 B 23 23 PHE N N 1110 118.200 115.626 2.574 1 1 2148 . 10 2 2 B 24 24 HIS H H 1111 7.960 7.506 0.454 1 1 2149 . 10 2 2 B 24 24 HIS HA H 1111 4.530 4.391 0.139 1 1 2155 . 10 2 2 B 24 24 HIS C C 1111 178.710 175.068 3.642 1 1 2156 . 10 2 2 B 24 24 HIS CA C 1111 57.200 60.107 -2.907 1 1 2157 . 10 2 2 B 24 24 HIS CB C 1111 30.200 29.855 0.345 1 1 2160 . 10 2 2 B 24 24 HIS N N 1111 117.760 117.561 0.199 1 1 2162 . 10 2 2 B 25 25 SER H H 1112 7.980 8.591 -0.611 1 1 2163 . 10 2 2 B 25 25 SER HA H 1112 4.340 4.010 0.330 1 1 2166 . 10 2 2 B 25 25 SER C C 1112 177.230 174.296 2.934 1 1 2167 . 10 2 2 B 25 25 SER CA C 1112 58.570 59.574 -1.004 1 1 2168 . 10 2 2 B 25 25 SER CB C 1112 63.800 61.486 2.314 1 1 2169 . 10 2 2 B 25 25 SER N N 1112 116.970 112.336 4.634 1 1 9 . 11 1 1 A 2 2 ASP H H 2 8.220 8.205 0.015 1 1 10 . 11 1 1 A 2 2 ASP HA H 2 4.500 4.375 0.125 1 1 13 . 11 1 1 A 2 2 ASP CA C 2 54.750 57.234 -2.484 1 1 14 . 11 1 1 A 2 2 ASP CB C 2 41.350 41.236 0.114 1 1 15 . 11 1 1 A 2 2 ASP N N 2 121.760 118.844 2.916 1 1 16 . 11 1 1 A 3 3 GLN H H 3 8.320 7.708 0.612 1 1 17 . 11 1 1 A 3 3 GLN HA H 3 4.240 4.864 -0.624 1 1 24 . 11 1 1 A 3 3 GLN CA C 3 55.750 54.209 1.541 1 1 25 . 11 1 1 A 3 3 GLN CB C 3 29.700 27.980 1.720 1 1 27 . 11 1 1 A 3 3 GLN N N 3 119.800 117.809 1.991 1 1 29 . 11 1 1 A 4 4 LEU H H 4 8.250 9.030 -0.780 1 1 30 . 11 1 1 A 4 4 LEU HA H 4 4.540 4.506 0.034 1 1 40 . 11 1 1 A 4 4 LEU C C 4 175.740 176.429 -0.689 1 1 41 . 11 1 1 A 4 4 LEU CA C 4 54.600 55.707 -1.107 1 1 42 . 11 1 1 A 4 4 LEU CB C 4 43.600 44.279 -0.679 1 1 46 . 11 1 1 A 4 4 LEU N N 4 123.100 127.702 -4.602 1 1 47 . 11 1 1 A 5 5 THR H H 5 8.680 7.419 1.261 1 1 48 . 11 1 1 A 5 5 THR HA H 5 4.350 4.335 0.015 1 1 53 . 11 1 1 A 5 5 THR C C 5 175.750 175.273 0.477 1 1 54 . 11 1 1 A 5 5 THR CA C 5 60.500 61.312 -0.812 1 1 55 . 11 1 1 A 5 5 THR CB C 5 71.100 70.159 0.941 1 1 57 . 11 1 1 A 5 5 THR N N 5 112.700 110.163 2.537 1 1 58 . 11 1 1 A 6 6 GLU H H 6 8.950 8.993 -0.043 1 1 59 . 11 1 1 A 6 6 GLU HA H 6 3.880 3.920 -0.040 1 1 64 . 11 1 1 A 6 6 GLU C C 6 177.790 178.434 -0.644 1 1 65 . 11 1 1 A 6 6 GLU CA C 6 60.200 60.158 0.042 1 1 66 . 11 1 1 A 6 6 GLU CB C 6 29.300 29.601 -0.301 1 1 68 . 11 1 1 A 6 6 GLU N N 6 119.950 123.213 -3.263 1 1 69 . 11 1 1 A 7 7 GLU H H 7 8.660 8.082 0.578 1 1 70 . 11 1 1 A 7 7 GLU HA H 7 3.940 4.011 -0.071 1 1 75 . 11 1 1 A 7 7 GLU C C 7 175.460 178.812 -3.352 1 1 76 . 11 1 1 A 7 7 GLU CA C 7 60.200 59.816 0.384 1 1 77 . 11 1 1 A 7 7 GLU CB C 7 29.100 29.373 -0.273 1 1 79 . 11 1 1 A 7 7 GLU N N 7 119.250 119.102 0.148 1 1 80 . 11 1 1 A 8 8 GLN H H 8 7.670 7.583 0.087 1 1 81 . 11 1 1 A 8 8 GLN HA H 8 3.760 4.205 -0.445 1 1 88 . 11 1 1 A 8 8 GLN C C 8 179.600 179.082 0.518 1 1 89 . 11 1 1 A 8 8 GLN CA C 8 58.800 58.667 0.133 1 1 90 . 11 1 1 A 8 8 GLN CB C 8 29.300 28.642 0.658 1 1 92 . 11 1 1 A 8 8 GLN N N 8 120.000 118.429 1.571 1 1 94 . 11 1 1 A 9 9 ILE H H 9 8.280 8.780 -0.500 1 1 95 . 11 1 1 A 9 9 ILE HA H 9 3.580 3.779 -0.199 1 1 105 . 11 1 1 A 9 9 ILE C C 9 179.270 178.008 1.262 1 1 106 . 11 1 1 A 9 9 ILE CA C 9 66.400 65.668 0.732 1 1 107 . 11 1 1 A 9 9 ILE CB C 9 38.100 37.960 0.140 1 1 111 . 11 1 1 A 9 9 ILE N N 9 119.400 121.291 -1.891 1 1 112 . 11 1 1 A 10 10 ALA H H 10 7.950 8.197 -0.247 1 1 113 . 11 1 1 A 10 10 ALA HA H 10 4.020 4.032 -0.012 1 1 117 . 11 1 1 A 10 10 ALA C C 10 178.490 180.058 -1.568 1 1 118 . 11 1 1 A 10 10 ALA CA C 10 55.400 55.903 -0.503 1 1 119 . 11 1 1 A 10 10 ALA CB C 10 17.950 18.189 -0.239 1 1 120 . 11 1 1 A 10 10 ALA N N 10 121.000 122.414 -1.414 1 1 121 . 11 1 1 A 11 11 GLU H H 11 7.730 8.161 -0.431 1 1 122 . 11 1 1 A 11 11 GLU HA H 11 4.030 4.020 0.010 1 1 127 . 11 1 1 A 11 11 GLU C C 11 177.860 179.507 -1.647 1 1 128 . 11 1 1 A 11 11 GLU CA C 11 59.500 59.498 0.002 1 1 129 . 11 1 1 A 11 11 GLU CB C 11 29.500 29.811 -0.311 1 1 131 . 11 1 1 A 11 11 GLU N N 11 119.700 118.119 1.581 1 1 132 . 11 1 1 A 12 12 PHE H H 12 8.470 8.502 -0.032 1 1 133 . 11 1 1 A 12 12 PHE HA H 12 4.910 4.312 0.598 1 1 141 . 11 1 1 A 12 12 PHE C C 12 181.140 178.110 3.030 1 1 142 . 11 1 1 A 12 12 PHE CA C 12 59.200 61.349 -2.149 1 1 143 . 11 1 1 A 12 12 PHE CB C 12 37.700 38.591 -0.891 1 1 149 . 11 1 1 A 12 12 PHE N N 12 119.900 119.505 0.395 1 1 150 . 11 1 1 A 13 13 LYS H H 13 9.180 8.614 0.566 1 1 151 . 11 1 1 A 13 13 LYS HA H 13 3.860 3.841 0.019 1 1 160 . 11 1 1 A 13 13 LYS C C 13 180.730 178.608 2.122 1 1 161 . 11 1 1 A 13 13 LYS CA C 13 60.300 60.036 0.264 1 1 162 . 11 1 1 A 13 13 LYS CB C 13 31.900 32.686 -0.786 1 1 166 . 11 1 1 A 13 13 LYS N N 13 124.000 120.350 3.650 1 1 167 . 11 1 1 A 14 14 GLU H H 14 7.770 8.057 -0.287 1 1 168 . 11 1 1 A 14 14 GLU HA H 14 4.050 4.033 0.017 1 1 173 . 11 1 1 A 14 14 GLU C C 14 178.750 179.128 -0.378 1 1 174 . 11 1 1 A 14 14 GLU CA C 14 59.300 59.512 -0.212 1 1 175 . 11 1 1 A 14 14 GLU CB C 14 29.300 29.285 0.015 1 1 177 . 11 1 1 A 14 14 GLU N N 14 120.060 118.524 1.536 1 1 178 . 11 1 1 A 15 15 ALA H H 15 8.020 7.512 0.508 1 1 179 . 11 1 1 A 15 15 ALA HA H 15 4.110 4.132 -0.022 1 1 183 . 11 1 1 A 15 15 ALA C C 15 179.220 179.902 -0.682 1 1 184 . 11 1 1 A 15 15 ALA CA C 15 55.900 54.903 0.997 1 1 185 . 11 1 1 A 15 15 ALA CB C 15 18.430 17.983 0.447 1 1 186 . 11 1 1 A 15 15 ALA N N 15 121.660 122.730 -1.070 1 1 187 . 11 1 1 A 16 16 PHE H H 16 8.700 8.105 0.595 1 1 188 . 11 1 1 A 16 16 PHE HA H 16 3.190 3.627 -0.437 1 1 196 . 11 1 1 A 16 16 PHE C C 16 176.350 177.783 -1.433 1 1 197 . 11 1 1 A 16 16 PHE CA C 16 62.300 59.440 2.860 1 1 198 . 11 1 1 A 16 16 PHE CB C 16 39.800 37.881 1.919 1 1 204 . 11 1 1 A 16 16 PHE N N 16 118.400 116.397 2.003 1 1 205 . 11 1 1 A 17 17 SER H H 17 8.040 7.447 0.593 1 1 206 . 11 1 1 A 17 17 SER HA H 17 4.110 4.137 -0.027 1 1 209 . 11 1 1 A 17 17 SER C C 17 178.820 176.720 2.100 1 1 210 . 11 1 1 A 17 17 SER CA C 17 61.600 60.657 0.943 1 1 211 . 11 1 1 A 17 17 SER CB C 17 63.200 63.273 -0.073 1 1 212 . 11 1 1 A 17 17 SER N N 17 114.290 115.013 -0.723 1 1 213 . 11 1 1 A 18 18 LEU H H 18 7.440 7.740 -0.300 1 1 214 . 11 1 1 A 18 18 LEU HA H 18 3.970 3.971 -0.001 1 1 224 . 11 1 1 A 18 18 LEU C C 18 178.630 178.293 0.337 1 1 225 . 11 1 1 A 18 18 LEU CA C 18 56.800 57.857 -1.057 1 1 226 . 11 1 1 A 18 18 LEU CB C 18 42.600 41.735 0.865 1 1 230 . 11 1 1 A 18 18 LEU N N 18 118.200 122.771 -4.571 1 1 231 . 11 1 1 A 19 19 PHE H H 19 7.330 6.341 0.989 1 1 232 . 11 1 1 A 19 19 PHE HA H 19 3.950 4.657 -0.707 1 1 240 . 11 1 1 A 19 19 PHE C C 19 174.460 175.363 -0.903 1 1 241 . 11 1 1 A 19 19 PHE CA C 19 59.300 57.106 2.194 1 1 242 . 11 1 1 A 19 19 PHE CB C 19 41.800 39.682 2.118 1 1 248 . 11 1 1 A 19 19 PHE N N 19 114.900 113.458 1.442 1 1 249 . 11 1 1 A 20 20 ASP H H 20 7.780 6.938 0.842 1 1 250 . 11 1 1 A 20 20 ASP HA H 20 4.480 5.119 -0.639 1 1 253 . 11 1 1 A 20 20 ASP C C 20 176.700 175.900 0.800 1 1 254 . 11 1 1 A 20 20 ASP CA C 20 52.400 53.444 -1.044 1 1 255 . 11 1 1 A 20 20 ASP CB C 20 39.400 39.247 0.153 1 1 256 . 11 1 1 A 20 20 ASP N N 20 117.700 122.263 -4.563 1 1 257 . 11 1 1 A 21 21 LYS H H 21 7.480 8.180 -0.700 1 1 258 . 11 1 1 A 21 21 LYS HA H 21 3.840 3.951 -0.111 1 1 267 . 11 1 1 A 21 21 LYS C C 21 175.550 177.385 -1.835 1 1 268 . 11 1 1 A 21 21 LYS CA C 21 58.300 59.378 -1.078 1 1 269 . 11 1 1 A 21 21 LYS CB C 21 32.600 32.378 0.222 1 1 273 . 11 1 1 A 21 21 LYS N N 21 124.200 125.989 -1.789 1 1 274 . 11 1 1 A 22 22 ASP H H 22 7.910 7.991 -0.081 1 1 275 . 11 1 1 A 22 22 ASP HA H 22 4.460 4.642 -0.182 1 1 278 . 11 1 1 A 22 22 ASP C C 22 176.920 177.714 -0.794 1 1 279 . 11 1 1 A 22 22 ASP CA C 22 53.400 53.083 0.317 1 1 280 . 11 1 1 A 22 22 ASP CB C 22 39.800 39.791 0.009 1 1 281 . 11 1 1 A 22 22 ASP N N 22 113.500 115.263 -1.763 1 1 282 . 11 1 1 A 23 23 GLY H H 23 7.540 7.996 -0.456 1 1 283 . 11 1 1 A 23 23 GLY HA2 H 23 3.730 3.877 -0.147 1 1 284 . 11 1 1 A 23 23 GLY HA3 H 23 3.730 3.879 -0.149 1 1 285 . 11 1 1 A 23 23 GLY C C 23 178.030 175.129 2.901 1 1 286 . 11 1 1 A 23 23 GLY CA C 23 47.400 47.199 0.201 1 1 287 . 11 1 1 A 23 23 GLY N N 23 109.200 108.947 0.253 1 1 288 . 11 1 1 A 24 24 ASP H H 24 8.430 7.957 0.473 1 1 289 . 11 1 1 A 24 24 ASP HA H 24 4.410 4.586 -0.176 1 1 292 . 11 1 1 A 24 24 ASP C C 24 177.580 177.602 -0.022 1 1 293 . 11 1 1 A 24 24 ASP CA C 24 53.770 53.588 0.182 1 1 294 . 11 1 1 A 24 24 ASP CB C 24 40.200 40.250 -0.050 1 1 295 . 11 1 1 A 24 24 ASP N N 24 120.700 120.543 0.157 1 1 296 . 11 1 1 A 25 25 GLY H H 25 10.370 9.517 0.853 1 1 297 . 11 1 1 A 25 25 GLY HA2 H 25 4.240 3.973 0.267 1 1 298 . 11 1 1 A 25 25 GLY HA3 H 25 3.610 3.990 -0.380 1 1 299 . 11 1 1 A 25 25 GLY C C 25 175.160 173.592 1.568 1 1 300 . 11 1 1 A 25 25 GLY CA C 25 45.300 45.431 -0.131 1 1 301 . 11 1 1 A 25 25 GLY N N 25 112.100 112.171 -0.071 1 1 302 . 11 1 1 A 26 26 THR H H 26 8.060 7.830 0.230 1 1 303 . 11 1 1 A 26 26 THR HA H 26 5.430 5.015 0.415 1 1 308 . 11 1 1 A 26 26 THR C C 26 177.260 173.325 3.935 1 1 309 . 11 1 1 A 26 26 THR CA C 26 59.500 58.756 0.744 1 1 310 . 11 1 1 A 26 26 THR CB C 26 72.800 73.265 -0.465 1 1 312 . 11 1 1 A 26 26 THR N N 26 110.950 109.731 1.219 1 1 313 . 11 1 1 A 27 27 ILE H H 27 9.890 8.538 1.352 1 1 314 . 11 1 1 A 27 27 ILE HA H 27 4.680 4.836 -0.156 1 1 324 . 11 1 1 A 27 27 ILE C C 27 173.810 175.678 -1.868 1 1 325 . 11 1 1 A 27 27 ILE CA C 27 61.250 60.617 0.633 1 1 326 . 11 1 1 A 27 27 ILE CB C 27 40.700 38.508 2.192 1 1 330 . 11 1 1 A 27 27 ILE N N 27 125.400 124.467 0.933 1 1 331 . 11 1 1 A 28 28 THR H H 28 8.290 8.790 -0.500 1 1 332 . 11 1 1 A 28 28 THR HA H 28 4.680 4.931 -0.251 1 1 337 . 11 1 1 A 28 28 THR C C 28 173.550 176.086 -2.536 1 1 338 . 11 1 1 A 28 28 THR CA C 28 59.200 59.433 -0.233 1 1 339 . 11 1 1 A 28 28 THR CB C 28 72.600 72.100 0.500 1 1 341 . 11 1 1 A 28 28 THR N N 28 116.000 117.857 -1.857 1 1 342 . 11 1 1 A 29 29 THR H H 29 9.180 8.855 0.325 1 1 343 . 11 1 1 A 29 29 THR HA H 29 3.570 3.890 -0.320 1 1 348 . 11 1 1 A 29 29 THR C C 29 176.080 176.887 -0.807 1 1 349 . 11 1 1 A 29 29 THR CA C 29 66.100 66.627 -0.527 1 1 350 . 11 1 1 A 29 29 THR CB C 29 67.650 68.293 -0.643 1 1 352 . 11 1 1 A 29 29 THR N N 29 111.440 114.927 -3.487 1 1 353 . 11 1 1 A 30 30 LYS H H 30 7.340 8.150 -0.810 1 1 354 . 11 1 1 A 30 30 LYS HA H 30 3.960 3.940 0.020 1 1 363 . 11 1 1 A 30 30 LYS C C 30 176.660 179.033 -2.373 1 1 364 . 11 1 1 A 30 30 LYS CA C 30 59.100 59.675 -0.575 1 1 365 . 11 1 1 A 30 30 LYS CB C 30 32.700 32.184 0.516 1 1 369 . 11 1 1 A 30 30 LYS N N 30 120.350 121.704 -1.354 1 1 370 . 11 1 1 A 31 31 GLU H H 31 7.760 8.344 -0.584 1 1 371 . 11 1 1 A 31 31 GLU HA H 31 4.000 4.120 -0.120 1 1 376 . 11 1 1 A 31 31 GLU C C 31 177.230 179.015 -1.785 1 1 377 . 11 1 1 A 31 31 GLU CA C 31 59.600 58.958 0.642 1 1 378 . 11 1 1 A 31 31 GLU CB C 31 29.600 28.483 1.117 1 1 380 . 11 1 1 A 31 31 GLU N N 31 122.300 117.602 4.698 1 1 381 . 11 1 1 A 32 32 LEU H H 32 8.370 8.220 0.150 1 1 382 . 11 1 1 A 32 32 LEU HA H 32 4.060 3.868 0.192 1 1 392 . 11 1 1 A 32 32 LEU C C 32 179.400 178.700 0.700 1 1 393 . 11 1 1 A 32 32 LEU CA C 32 57.550 57.876 -0.326 1 1 394 . 11 1 1 A 32 32 LEU CB C 32 41.700 41.970 -0.270 1 1 398 . 11 1 1 A 32 32 LEU N N 32 120.100 122.913 -2.813 1 1 399 . 11 1 1 A 33 33 GLY H H 33 8.650 8.026 0.624 1 1 400 . 11 1 1 A 33 33 GLY HA2 H 33 3.450 3.796 -0.346 1 1 401 . 11 1 1 A 33 33 GLY HA3 H 33 3.800 3.798 0.002 1 1 402 . 11 1 1 A 33 33 GLY C C 33 179.640 176.166 3.474 1 1 403 . 11 1 1 A 33 33 GLY CA C 33 48.300 47.850 0.450 1 1 404 . 11 1 1 A 33 33 GLY N N 33 105.700 106.148 -0.448 1 1 405 . 11 1 1 A 34 34 THR H H 34 8.070 7.827 0.243 1 1 406 . 11 1 1 A 34 34 THR HA H 34 3.790 4.015 -0.225 1 1 411 . 11 1 1 A 34 34 THR C C 34 178.670 176.136 2.534 1 1 412 . 11 1 1 A 34 34 THR CA C 34 67.300 67.009 0.291 1 1 413 . 11 1 1 A 34 34 THR CB C 34 68.700 68.635 0.065 1 1 415 . 11 1 1 A 34 34 THR N N 34 118.140 118.604 -0.464 1 1 416 . 11 1 1 A 35 35 VAL H H 35 7.510 7.779 -0.269 1 1 417 . 11 1 1 A 35 35 VAL HA H 35 3.480 3.570 -0.090 1 1 425 . 11 1 1 A 35 35 VAL C C 35 175.050 177.639 -2.589 1 1 426 . 11 1 1 A 35 35 VAL CA C 35 66.500 66.760 -0.260 1 1 427 . 11 1 1 A 35 35 VAL CB C 35 31.400 31.333 0.067 1 1 430 . 11 1 1 A 35 35 VAL N N 35 121.400 121.961 -0.561 1 1 431 . 11 1 1 A 36 36 MET H H 36 8.530 7.970 0.560 1 1 432 . 11 1 1 A 36 36 MET HA H 36 3.590 4.105 -0.515 1 1 440 . 11 1 1 A 36 36 MET C C 36 177.410 177.966 -0.556 1 1 441 . 11 1 1 A 36 36 MET CA C 36 61.900 58.545 3.355 1 1 442 . 11 1 1 A 36 36 MET CB C 36 32.600 31.104 1.496 1 1 445 . 11 1 1 A 36 36 MET N N 36 118.970 118.054 0.916 1 1 446 . 11 1 1 A 37 37 ARG H H 37 8.600 8.310 0.290 1 1 447 . 11 1 1 A 37 37 ARG HA H 37 4.720 4.049 0.671 1 1 454 . 11 1 1 A 37 37 ARG C C 37 179.250 178.791 0.459 1 1 455 . 11 1 1 A 37 37 ARG CA C 37 59.450 59.616 -0.166 1 1 456 . 11 1 1 A 37 37 ARG CB C 37 30.200 30.038 0.162 1 1 459 . 11 1 1 A 37 37 ARG N N 37 118.400 120.278 -1.878 1 1 460 . 11 1 1 A 38 38 SER H H 38 7.830 7.781 0.049 1 1 461 . 11 1 1 A 38 38 SER HA H 38 4.240 4.352 -0.112 1 1 464 . 11 1 1 A 38 38 SER C C 38 178.480 176.117 2.363 1 1 465 . 11 1 1 A 38 38 SER CA C 38 62.100 60.789 1.311 1 1 466 . 11 1 1 A 38 38 SER CB C 38 63.400 62.996 0.404 1 1 467 . 11 1 1 A 38 38 SER N N 38 119.400 114.530 4.870 1 1 468 . 11 1 1 A 39 39 LEU H H 39 7.280 8.366 -1.086 1 1 469 . 11 1 1 A 39 39 LEU HA H 39 4.360 4.283 0.077 1 1 479 . 11 1 1 A 39 39 LEU C C 39 178.240 177.050 1.190 1 1 480 . 11 1 1 A 39 39 LEU CA C 39 54.300 55.026 -0.726 1 1 481 . 11 1 1 A 39 39 LEU CB C 39 42.100 42.357 -0.257 1 1 485 . 11 1 1 A 39 39 LEU N N 39 119.950 119.353 0.597 1 1 486 . 11 1 1 A 40 40 GLY H H 40 7.740 8.144 -0.404 1 1 487 . 11 1 1 A 40 40 GLY HA2 H 40 4.140 3.891 0.249 1 1 488 . 11 1 1 A 40 40 GLY HA3 H 40 3.650 3.897 -0.247 1 1 489 . 11 1 1 A 40 40 GLY C C 40 176.140 173.824 2.316 1 1 490 . 11 1 1 A 40 40 GLY CA C 40 45.300 45.686 -0.386 1 1 491 . 11 1 1 A 40 40 GLY N N 40 105.750 106.999 -1.249 1 1 492 . 11 1 1 A 41 41 GLN H H 41 7.710 7.882 -0.172 1 1 493 . 11 1 1 A 41 41 GLN HA H 41 4.360 4.713 -0.353 1 1 500 . 11 1 1 A 41 41 GLN C C 41 176.700 174.640 2.060 1 1 501 . 11 1 1 A 41 41 GLN CA C 41 54.900 54.130 0.770 1 1 502 . 11 1 1 A 41 41 GLN CB C 41 29.600 31.070 -1.470 1 1 504 . 11 1 1 A 41 41 GLN N N 41 118.400 118.954 -0.554 1 1 506 . 11 1 1 A 42 42 ASN H H 42 8.640 8.748 -0.108 1 1 507 . 11 1 1 A 42 42 ASN HA H 42 5.150 5.530 -0.380 1 1 512 . 11 1 1 A 42 42 ASN CA C 42 51.200 50.745 0.455 1 1 513 . 11 1 1 A 42 42 ASN CB C 42 39.500 39.534 -0.034 1 1 514 . 11 1 1 A 42 42 ASN N N 42 115.610 119.977 -4.367 1 1 516 . 11 1 1 A 43 43 PRO HA H 43 4.540 4.560 -0.020 1 1 523 . 11 1 1 A 43 43 PRO C C 43 179.440 176.877 2.563 1 1 524 . 11 1 1 A 43 43 PRO CA C 43 62.450 62.933 -0.483 1 1 525 . 11 1 1 A 43 43 PRO CB C 43 31.500 31.828 -0.328 1 1 528 . 11 1 1 A 44 44 THR H H 44 8.660 8.073 0.587 1 1 529 . 11 1 1 A 44 44 THR HA H 44 4.340 4.501 -0.161 1 1 534 . 11 1 1 A 44 44 THR CA C 44 60.450 60.417 0.033 1 1 535 . 11 1 1 A 44 44 THR CB C 44 71.400 70.969 0.431 1 1 537 . 11 1 1 A 44 44 THR N N 44 112.600 112.997 -0.397 1 1 538 . 11 1 1 A 45 45 GLU H H 45 8.720 9.054 -0.334 1 1 539 . 11 1 1 A 45 45 GLU HA H 45 3.870 4.038 -0.168 1 1 544 . 11 1 1 A 45 45 GLU C C 45 174.270 178.594 -4.324 1 1 545 . 11 1 1 A 45 45 GLU CA C 45 59.900 59.338 0.562 1 1 546 . 11 1 1 A 45 45 GLU CB C 45 29.200 29.188 0.012 1 1 548 . 11 1 1 A 45 45 GLU N N 45 120.150 121.033 -0.883 1 1 549 . 11 1 1 A 46 46 ALA H H 46 8.200 8.347 -0.147 1 1 550 . 11 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 11 1 1 A 46 46 ALA C C 46 175.180 180.058 -4.878 1 1 555 . 11 1 1 A 46 46 ALA CA C 46 55.100 54.869 0.231 1 1 556 . 11 1 1 A 46 46 ALA CB C 46 18.300 18.235 0.065 1 1 557 . 11 1 1 A 46 46 ALA N N 46 120.450 122.005 -1.555 1 1 558 . 11 1 1 A 47 47 GLU H H 47 7.630 7.778 -0.148 1 1 559 . 11 1 1 A 47 47 GLU HA H 47 3.890 4.129 -0.239 1 1 564 . 11 1 1 A 47 47 GLU C C 47 179.020 179.037 -0.017 1 1 565 . 11 1 1 A 47 47 GLU CA C 47 59.500 58.718 0.782 1 1 566 . 11 1 1 A 47 47 GLU CB C 47 29.600 29.527 0.073 1 1 568 . 11 1 1 A 47 47 GLU N N 47 118.320 118.501 -0.181 1 1 569 . 11 1 1 A 48 48 LEU H H 48 7.880 8.227 -0.347 1 1 570 . 11 1 1 A 48 48 LEU HA H 48 3.790 3.962 -0.172 1 1 580 . 11 1 1 A 48 48 LEU C C 48 180.200 179.863 0.337 1 1 581 . 11 1 1 A 48 48 LEU CA C 48 58.150 57.925 0.225 1 1 582 . 11 1 1 A 48 48 LEU CB C 48 42.800 41.732 1.068 1 1 586 . 11 1 1 A 48 48 LEU N N 48 119.000 120.245 -1.245 1 1 587 . 11 1 1 A 49 49 GLN H H 49 8.080 8.276 -0.196 1 1 588 . 11 1 1 A 49 49 GLN HA H 49 3.630 4.016 -0.386 1 1 595 . 11 1 1 A 49 49 GLN C C 49 177.680 178.146 -0.466 1 1 596 . 11 1 1 A 49 49 GLN CA C 49 58.600 58.905 -0.305 1 1 597 . 11 1 1 A 49 49 GLN CB C 49 28.500 28.533 -0.033 1 1 599 . 11 1 1 A 49 49 GLN N N 49 117.400 118.715 -1.315 1 1 601 . 11 1 1 A 50 50 ASP H H 50 7.960 8.206 -0.246 1 1 602 . 11 1 1 A 50 50 ASP HA H 50 4.300 4.326 -0.026 1 1 605 . 11 1 1 A 50 50 ASP C C 50 178.470 179.145 -0.675 1 1 606 . 11 1 1 A 50 50 ASP CA C 50 57.700 57.593 0.107 1 1 607 . 11 1 1 A 50 50 ASP CB C 50 40.600 40.529 0.071 1 1 608 . 11 1 1 A 50 50 ASP N N 50 119.050 120.140 -1.090 1 1 609 . 11 1 1 A 51 51 MET H H 51 7.750 8.322 -0.572 1 1 610 . 11 1 1 A 51 51 MET HA H 51 4.000 4.182 -0.182 1 1 618 . 11 1 1 A 51 51 MET C C 51 178.170 178.727 -0.557 1 1 619 . 11 1 1 A 51 51 MET CA C 51 59.500 58.517 0.983 1 1 620 . 11 1 1 A 51 51 MET CB C 51 34.700 33.018 1.682 1 1 623 . 11 1 1 A 51 51 MET N N 51 117.900 118.235 -0.335 1 1 624 . 11 1 1 A 52 52 ILE H H 52 7.580 7.906 -0.326 1 1 625 . 11 1 1 A 52 52 ILE HA H 52 3.620 3.502 0.118 1 1 635 . 11 1 1 A 52 52 ILE C C 52 178.690 177.828 0.862 1 1 636 . 11 1 1 A 52 52 ILE CA C 52 63.600 65.350 -1.750 1 1 637 . 11 1 1 A 52 52 ILE CB C 52 36.700 37.867 -1.167 1 1 641 . 11 1 1 A 52 52 ILE N N 52 116.850 119.284 -2.434 1 1 642 . 11 1 1 A 53 53 ASN H H 53 8.570 8.443 0.127 1 1 643 . 11 1 1 A 53 53 ASN HA H 53 4.310 4.440 -0.130 1 1 648 . 11 1 1 A 53 53 ASN CA C 53 56.400 56.467 -0.067 1 1 649 . 11 1 1 A 53 53 ASN CB C 53 38.300 37.905 0.395 1 1 650 . 11 1 1 A 53 53 ASN N N 53 116.900 118.028 -1.128 1 1 652 . 11 1 1 A 54 54 GLU H H 54 7.520 7.843 -0.323 1 1 653 . 11 1 1 A 54 54 GLU HA H 54 3.950 4.113 -0.163 1 1 658 . 11 1 1 A 54 54 GLU C C 54 178.070 178.565 -0.495 1 1 659 . 11 1 1 A 54 54 GLU CA C 54 59.000 58.927 0.073 1 1 660 . 11 1 1 A 54 54 GLU CB C 54 29.800 29.560 0.240 1 1 662 . 11 1 1 A 54 54 GLU N N 54 115.650 119.632 -3.982 1 1 663 . 11 1 1 A 55 55 VAL H H 55 7.020 7.226 -0.206 1 1 664 . 11 1 1 A 55 55 VAL HA H 55 4.110 4.011 0.099 1 1 672 . 11 1 1 A 55 55 VAL C C 55 177.890 176.293 1.597 1 1 673 . 11 1 1 A 55 55 VAL CA C 55 61.210 64.635 -3.425 1 1 674 . 11 1 1 A 55 55 VAL CB C 55 33.100 32.063 1.037 1 1 677 . 11 1 1 A 55 55 VAL N N 55 111.500 119.364 -7.864 1 1 678 . 11 1 1 A 56 56 ASP H H 56 7.460 7.875 -0.415 1 1 679 . 11 1 1 A 56 56 ASP HA H 56 4.360 4.637 -0.277 1 1 682 . 11 1 1 A 56 56 ASP C C 56 177.620 176.625 0.995 1 1 683 . 11 1 1 A 56 56 ASP CA C 56 53.550 53.634 -0.084 1 1 684 . 11 1 1 A 56 56 ASP CB C 56 40.600 40.480 0.120 1 1 685 . 11 1 1 A 56 56 ASP N N 56 121.330 121.721 -0.391 1 1 686 . 11 1 1 A 57 57 ALA H H 57 7.780 8.281 -0.501 1 1 687 . 11 1 1 A 57 57 ALA HA H 57 4.080 4.079 0.001 1 1 691 . 11 1 1 A 57 57 ALA C C 57 175.320 178.392 -3.072 1 1 692 . 11 1 1 A 57 57 ALA CA C 57 55.000 55.042 -0.042 1 1 693 . 11 1 1 A 57 57 ALA CB C 57 19.800 18.561 1.239 1 1 694 . 11 1 1 A 57 57 ALA N N 57 130.400 128.114 2.286 1 1 695 . 11 1 1 A 58 58 ASP H H 58 8.140 7.952 0.188 1 1 696 . 11 1 1 A 58 58 ASP HA H 58 4.540 4.581 -0.041 1 1 699 . 11 1 1 A 58 58 ASP C C 58 176.130 177.511 -1.381 1 1 700 . 11 1 1 A 58 58 ASP CA C 58 52.950 53.214 -0.264 1 1 701 . 11 1 1 A 58 58 ASP CB C 58 40.100 40.007 0.093 1 1 702 . 11 1 1 A 58 58 ASP N N 58 113.200 113.151 0.049 1 1 703 . 11 1 1 A 59 59 GLY H H 59 7.530 7.649 -0.119 1 1 704 . 11 1 1 A 59 59 GLY HA2 H 59 3.700 3.921 -0.221 1 1 705 . 11 1 1 A 59 59 GLY HA3 H 59 3.820 3.922 -0.102 1 1 706 . 11 1 1 A 59 59 GLY C C 59 178.830 175.284 3.546 1 1 707 . 11 1 1 A 59 59 GLY CA C 59 47.450 46.955 0.495 1 1 708 . 11 1 1 A 59 59 GLY N N 59 108.180 109.282 -1.102 1 1 709 . 11 1 1 A 60 60 ASN H H 60 8.080 8.483 -0.403 1 1 710 . 11 1 1 A 60 60 ASN HA H 60 4.500 4.683 -0.183 1 1 715 . 11 1 1 A 60 60 ASN CA C 60 52.900 52.627 0.273 1 1 716 . 11 1 1 A 60 60 ASN CB C 60 37.900 37.859 0.041 1 1 717 . 11 1 1 A 60 60 ASN N N 60 118.700 118.569 0.131 1 1 719 . 11 1 1 A 61 61 GLY H H 61 10.640 10.305 0.335 1 1 720 . 11 1 1 A 61 61 GLY HA2 H 61 3.370 3.900 -0.530 1 1 721 . 11 1 1 A 61 61 GLY HA3 H 61 4.190 3.903 0.287 1 1 722 . 11 1 1 A 61 61 GLY C C 61 174.970 173.452 1.518 1 1 723 . 11 1 1 A 61 61 GLY CA C 61 45.300 45.349 -0.049 1 1 724 . 11 1 1 A 61 61 GLY N N 61 113.400 112.103 1.297 1 1 725 . 11 1 1 A 62 62 THR H H 62 7.550 7.753 -0.203 1 1 726 . 11 1 1 A 62 62 THR HA H 62 4.620 4.957 -0.337 1 1 731 . 11 1 1 A 62 62 THR C C 62 176.870 172.495 4.375 1 1 732 . 11 1 1 A 62 62 THR CA C 62 59.550 59.750 -0.200 1 1 733 . 11 1 1 A 62 62 THR CB C 62 72.500 72.651 -0.151 1 1 735 . 11 1 1 A 62 62 THR N N 62 107.860 109.818 -1.958 1 1 736 . 11 1 1 A 63 63 ILE H H 63 8.790 8.407 0.383 1 1 737 . 11 1 1 A 63 63 ILE HA H 63 5.280 5.093 0.187 1 1 747 . 11 1 1 A 63 63 ILE C C 63 173.250 175.127 -1.877 1 1 748 . 11 1 1 A 63 63 ILE CA C 63 57.600 59.916 -2.316 1 1 749 . 11 1 1 A 63 63 ILE CB C 63 39.400 40.111 -0.711 1 1 753 . 11 1 1 A 63 63 ILE N N 63 123.900 121.035 2.865 1 1 754 . 11 1 1 A 64 64 ASP H H 64 8.720 8.987 -0.267 1 1 755 . 11 1 1 A 64 64 ASP HA H 64 5.350 5.061 0.289 1 1 758 . 11 1 1 A 64 64 ASP C C 64 172.850 177.986 -5.136 1 1 759 . 11 1 1 A 64 64 ASP CA C 64 52.100 52.763 -0.663 1 1 760 . 11 1 1 A 64 64 ASP CB C 64 42.150 43.063 -0.913 1 1 761 . 11 1 1 A 64 64 ASP N N 64 127.860 126.944 0.916 1 1 762 . 11 1 1 A 65 65 PHE H H 65 8.840 9.212 -0.372 1 1 763 . 11 1 1 A 65 65 PHE HA H 65 3.890 4.867 -0.977 1 1 771 . 11 1 1 A 65 65 PHE C C 65 175.750 174.650 1.100 1 1 772 . 11 1 1 A 65 65 PHE CA C 65 63.300 63.897 -0.597 1 1 773 . 11 1 1 A 65 65 PHE CB C 65 36.100 37.412 -1.312 1 1 779 . 11 1 1 A 65 65 PHE N N 65 117.500 122.963 -5.463 1 1 780 . 11 1 1 A 66 66 PRO HA H 66 3.770 4.347 -0.577 1 1 787 . 11 1 1 A 66 66 PRO C C 66 175.840 179.480 -3.640 1 1 788 . 11 1 1 A 66 66 PRO CA C 66 67.100 66.477 0.623 1 1 789 . 11 1 1 A 66 66 PRO CB C 66 30.700 30.882 -0.182 1 1 792 . 11 1 1 A 67 67 GLU H H 67 8.340 8.781 -0.441 1 1 793 . 11 1 1 A 67 67 GLU HA H 67 3.920 4.138 -0.218 1 1 798 . 11 1 1 A 67 67 GLU CA C 67 59.400 59.173 0.227 1 1 799 . 11 1 1 A 67 67 GLU CB C 67 29.650 29.151 0.499 1 1 801 . 11 1 1 A 67 67 GLU N N 67 117.850 117.925 -0.075 1 1 802 . 11 1 1 A 68 68 PHE H H 68 8.630 8.353 0.277 1 1 803 . 11 1 1 A 68 68 PHE HA H 68 3.670 4.186 -0.516 1 1 811 . 11 1 1 A 68 68 PHE C C 68 174.810 177.411 -2.601 1 1 812 . 11 1 1 A 68 68 PHE CA C 68 61.400 61.292 0.108 1 1 813 . 11 1 1 A 68 68 PHE CB C 68 40.700 39.331 1.369 1 1 819 . 11 1 1 A 68 68 PHE N N 68 123.200 123.373 -0.173 1 1 820 . 11 1 1 A 69 69 LEU H H 69 8.800 8.756 0.044 1 1 821 . 11 1 1 A 69 69 LEU HA H 69 3.130 3.944 -0.814 1 1 831 . 11 1 1 A 69 69 LEU C C 69 179.310 178.982 0.328 1 1 832 . 11 1 1 A 69 69 LEU CA C 69 58.000 58.274 -0.274 1 1 833 . 11 1 1 A 69 69 LEU CB C 69 41.550 41.901 -0.351 1 1 837 . 11 1 1 A 69 69 LEU N N 69 119.930 120.115 -0.185 1 1 838 . 11 1 1 A 70 70 THR H H 70 7.550 7.707 -0.157 1 1 839 . 11 1 1 A 70 70 THR HA H 70 3.530 3.803 -0.273 1 1 844 . 11 1 1 A 70 70 THR C C 70 180.360 176.725 3.635 1 1 845 . 11 1 1 A 70 70 THR CA C 70 66.700 66.761 -0.061 1 1 846 . 11 1 1 A 70 70 THR CB C 70 68.500 68.217 0.283 1 1 848 . 11 1 1 A 70 70 THR N N 70 114.730 114.601 0.129 1 1 849 . 11 1 1 A 71 71 MET H H 71 7.000 8.021 -1.021 1 1 850 . 11 1 1 A 71 71 MET HA H 71 3.640 4.129 -0.489 1 1 858 . 11 1 1 A 71 71 MET C C 71 176.750 178.488 -1.738 1 1 859 . 11 1 1 A 71 71 MET CA C 71 58.800 58.082 0.718 1 1 860 . 11 1 1 A 71 71 MET CB C 71 32.000 32.265 -0.265 1 1 863 . 11 1 1 A 71 71 MET N N 71 119.750 118.341 1.409 1 1 864 . 11 1 1 A 72 72 MET H H 72 7.810 8.130 -0.320 1 1 865 . 11 1 1 A 72 72 MET HA H 72 3.880 4.235 -0.355 1 1 873 . 11 1 1 A 72 72 MET C C 72 174.850 178.240 -3.390 1 1 874 . 11 1 1 A 72 72 MET CA C 72 55.100 59.043 -3.943 1 1 875 . 11 1 1 A 72 72 MET CB C 72 28.900 32.832 -3.932 1 1 878 . 11 1 1 A 72 72 MET N N 72 115.300 118.571 -3.271 1 1 879 . 11 1 1 A 73 73 ALA H H 73 7.880 8.169 -0.289 1 1 880 . 11 1 1 A 73 73 ALA HA H 73 3.990 3.973 0.017 1 1 884 . 11 1 1 A 73 73 ALA C C 73 177.940 178.879 -0.939 1 1 885 . 11 1 1 A 73 73 ALA CA C 73 53.900 55.271 -1.371 1 1 886 . 11 1 1 A 73 73 ALA CB C 73 18.600 18.293 0.307 1 1 887 . 11 1 1 A 73 73 ALA N N 73 120.000 121.072 -1.072 1 1 888 . 11 1 1 A 74 74 ARG H H 74 7.050 7.174 -0.124 1 1 889 . 11 1 1 A 74 74 ARG HA H 74 4.040 4.360 -0.320 1 1 896 . 11 1 1 A 74 74 ARG C C 74 178.910 176.446 2.464 1 1 897 . 11 1 1 A 74 74 ARG CA C 74 57.400 56.311 1.089 1 1 898 . 11 1 1 A 74 74 ARG CB C 74 30.900 30.520 0.380 1 1 901 . 11 1 1 A 74 74 ARG N N 74 115.850 115.548 0.302 1 1 902 . 11 1 1 A 75 75 LYS H H 75 7.820 7.359 0.461 1 1 903 . 11 1 1 A 75 75 LYS HA H 75 4.200 4.543 -0.343 1 1 912 . 11 1 1 A 75 75 LYS C C 75 178.770 176.421 2.349 1 1 913 . 11 1 1 A 75 75 LYS CA C 75 55.900 55.056 0.844 1 1 914 . 11 1 1 A 75 75 LYS CB C 75 32.600 30.334 2.266 1 1 918 . 11 1 1 A 75 75 LYS N N 75 119.600 120.363 -0.763 1 1 919 . 11 1 1 A 76 76 MET H H 76 8.100 8.228 -0.128 1 1 920 . 11 1 1 A 76 76 MET HA H 76 4.300 4.847 -0.547 1 1 928 . 11 1 1 A 76 76 MET C C 76 176.990 175.918 1.072 1 1 929 . 11 1 1 A 76 76 MET CA C 76 55.800 54.063 1.737 1 1 930 . 11 1 1 A 76 76 MET CB C 76 33.800 32.882 0.918 1 1 933 . 11 1 1 A 76 76 MET N N 76 122.300 124.864 -2.564 1 1 934 . 11 1 1 A 77 77 LYS H H 77 8.150 7.613 0.537 1 1 935 . 11 1 1 A 77 77 LYS HA H 77 4.210 4.095 0.115 1 1 944 . 11 1 1 A 77 77 LYS C C 77 176.890 175.823 1.067 1 1 945 . 11 1 1 A 77 77 LYS CA C 77 56.100 56.825 -0.725 1 1 946 . 11 1 1 A 77 77 LYS CB C 77 33.000 32.791 0.209 1 1 950 . 11 1 1 A 77 77 LYS N N 77 121.300 122.325 -1.025 1 1 951 . 11 1 1 A 78 78 ASP H H 78 8.240 8.641 -0.401 1 1 952 . 11 1 1 A 78 78 ASP HA H 78 4.500 4.906 -0.406 1 1 955 . 11 1 1 A 78 78 ASP C C 78 176.090 175.071 1.019 1 1 956 . 11 1 1 A 78 78 ASP CA C 78 54.700 53.810 0.890 1 1 957 . 11 1 1 A 78 78 ASP CB C 78 41.300 41.657 -0.357 1 1 958 . 11 1 1 A 78 78 ASP N N 78 122.200 125.790 -3.590 1 1 959 . 11 1 1 A 79 79 THR H H 79 8.150 8.757 -0.607 1 1 960 . 11 1 1 A 79 79 THR HA H 79 4.220 4.693 -0.473 1 1 965 . 11 1 1 A 79 79 THR C C 79 176.240 174.018 2.222 1 1 966 . 11 1 1 A 79 79 THR CA C 79 61.500 62.493 -0.993 1 1 967 . 11 1 1 A 79 79 THR CB C 79 70.300 69.664 0.636 1 1 969 . 11 1 1 A 79 79 THR N N 79 114.940 120.724 -5.784 1 1 970 . 11 1 1 A 80 80 ASP H H 80 8.480 9.002 -0.522 1 1 971 . 11 1 1 A 80 80 ASP HA H 80 4.600 4.639 -0.039 1 1 974 . 11 1 1 A 80 80 ASP C C 80 176.230 176.767 -0.537 1 1 975 . 11 1 1 A 80 80 ASP CA C 80 54.100 54.650 -0.550 1 1 976 . 11 1 1 A 80 80 ASP CB C 80 41.600 40.656 0.944 1 1 977 . 11 1 1 A 80 80 ASP N N 80 123.800 128.022 -4.222 1 1 978 . 11 1 1 A 81 81 SER H H 81 8.500 8.948 -0.448 1 1 979 . 11 1 1 A 81 81 SER HA H 81 4.220 4.097 0.123 1 1 982 . 11 1 1 A 81 81 SER C C 81 173.900 176.609 -2.709 1 1 983 . 11 1 1 A 81 81 SER CA C 81 60.400 61.824 -1.424 1 1 984 . 11 1 1 A 81 81 SER CB C 81 63.700 62.711 0.989 1 1 985 . 11 1 1 A 81 81 SER N N 81 118.450 120.486 -2.036 1 1 986 . 11 1 1 A 82 82 GLU H H 82 8.430 8.056 0.374 1 1 987 . 11 1 1 A 82 82 GLU HA H 82 4.010 4.170 -0.160 1 1 992 . 11 1 1 A 82 82 GLU C C 82 176.370 179.265 -2.895 1 1 993 . 11 1 1 A 82 82 GLU CA C 82 59.100 59.293 -0.193 1 1 994 . 11 1 1 A 82 82 GLU CB C 82 29.600 29.099 0.501 1 1 996 . 11 1 1 A 82 82 GLU N N 82 121.850 121.044 0.806 1 1 997 . 11 1 1 A 83 83 GLU H H 83 8.020 8.893 -0.873 1 1 998 . 11 1 1 A 83 83 GLU HA H 83 4.040 4.032 0.008 1 1 1003 . 11 1 1 A 83 83 GLU C C 83 175.890 178.474 -2.584 1 1 1004 . 11 1 1 A 83 83 GLU CA C 83 58.800 59.504 -0.704 1 1 1005 . 11 1 1 A 83 83 GLU CB C 83 29.400 29.283 0.117 1 1 1007 . 11 1 1 A 83 83 GLU N N 83 119.470 119.790 -0.320 1 1 1008 . 11 1 1 A 84 84 GLU H H 84 7.930 8.192 -0.262 1 1 1009 . 11 1 1 A 84 84 GLU HA H 84 4.150 4.261 -0.111 1 1 1014 . 11 1 1 A 84 84 GLU C C 84 176.160 178.731 -2.571 1 1 1015 . 11 1 1 A 84 84 GLU CA C 84 59.400 57.922 1.478 1 1 1016 . 11 1 1 A 84 84 GLU CB C 84 29.600 30.055 -0.455 1 1 1018 . 11 1 1 A 84 84 GLU N N 84 118.310 117.078 1.232 1 1 1019 . 11 1 1 A 85 85 ILE H H 85 7.880 8.030 -0.150 1 1 1020 . 11 1 1 A 85 85 ILE HA H 85 3.880 3.710 0.170 1 1 1030 . 11 1 1 A 85 85 ILE C C 85 179.870 177.599 2.271 1 1 1031 . 11 1 1 A 85 85 ILE CA C 85 65.400 64.963 0.437 1 1 1032 . 11 1 1 A 85 85 ILE CB C 85 37.400 37.672 -0.272 1 1 1036 . 11 1 1 A 85 85 ILE N N 85 120.900 121.752 -0.852 1 1 1037 . 11 1 1 A 86 86 ARG H H 86 7.990 8.254 -0.264 1 1 1038 . 11 1 1 A 86 86 ARG HA H 86 4.030 3.997 0.033 1 1 1045 . 11 1 1 A 86 86 ARG C C 86 180.520 179.137 1.383 1 1 1046 . 11 1 1 A 86 86 ARG CA C 86 60.200 59.987 0.213 1 1 1047 . 11 1 1 A 86 86 ARG CB C 86 29.800 29.749 0.051 1 1 1050 . 11 1 1 A 86 86 ARG N N 86 121.000 119.526 1.474 1 1 1051 . 11 1 1 A 87 87 GLU H H 87 8.350 8.508 -0.158 1 1 1052 . 11 1 1 A 87 87 GLU HA H 87 3.900 4.071 -0.171 1 1 1057 . 11 1 1 A 87 87 GLU C C 87 177.380 179.533 -2.153 1 1 1058 . 11 1 1 A 87 87 GLU CA C 87 59.600 59.446 0.154 1 1 1059 . 11 1 1 A 87 87 GLU CB C 87 29.500 29.731 -0.231 1 1 1061 . 11 1 1 A 87 87 GLU N N 87 117.860 119.808 -1.948 1 1 1062 . 11 1 1 A 88 88 ALA H H 88 7.880 7.807 0.073 1 1 1063 . 11 1 1 A 88 88 ALA HA H 88 4.060 4.239 -0.179 1 1 1067 . 11 1 1 A 88 88 ALA C C 88 178.580 179.680 -1.100 1 1 1068 . 11 1 1 A 88 88 ALA CA C 88 55.200 54.735 0.465 1 1 1069 . 11 1 1 A 88 88 ALA CB C 88 17.900 18.356 -0.456 1 1 1070 . 11 1 1 A 88 88 ALA N N 88 120.100 122.456 -2.356 1 1 1071 . 11 1 1 A 89 89 PHE H H 89 8.550 7.794 0.756 1 1 1072 . 11 1 1 A 89 89 PHE HA H 89 4.000 3.744 0.256 1 1 1080 . 11 1 1 A 89 89 PHE C C 89 179.770 177.304 2.466 1 1 1081 . 11 1 1 A 89 89 PHE CA C 89 61.800 61.369 0.431 1 1 1082 . 11 1 1 A 89 89 PHE CB C 89 39.130 39.041 0.089 1 1 1088 . 11 1 1 A 89 89 PHE N N 89 118.760 119.332 -0.572 1 1 1089 . 11 1 1 A 90 90 ARG H H 90 7.750 7.779 -0.029 1 1 1090 . 11 1 1 A 90 90 ARG HA H 90 3.760 4.066 -0.306 1 1 1097 . 11 1 1 A 90 90 ARG C C 90 179.090 178.808 0.282 1 1 1098 . 11 1 1 A 90 90 ARG CA C 90 58.800 59.179 -0.379 1 1 1099 . 11 1 1 A 90 90 ARG CB C 90 30.500 29.817 0.683 1 1 1102 . 11 1 1 A 90 90 ARG N N 90 115.100 118.516 -3.416 1 1 1103 . 11 1 1 A 91 91 VAL H H 91 7.270 7.508 -0.238 1 1 1104 . 11 1 1 A 91 91 VAL HA H 91 3.360 3.545 -0.185 1 1 1112 . 11 1 1 A 91 91 VAL C C 91 179.060 178.017 1.043 1 1 1113 . 11 1 1 A 91 91 VAL CA C 91 66.050 66.358 -0.308 1 1 1114 . 11 1 1 A 91 91 VAL CB C 91 31.200 31.679 -0.479 1 1 1117 . 11 1 1 A 91 91 VAL N N 91 117.450 119.496 -2.046 1 1 1118 . 11 1 1 A 92 92 PHE H H 92 7.000 7.700 -0.700 1 1 1119 . 11 1 1 A 92 92 PHE HA H 92 4.070 4.120 -0.050 1 1 1127 . 11 1 1 A 92 92 PHE C C 92 177.490 176.363 1.127 1 1 1128 . 11 1 1 A 92 92 PHE CA C 92 60.700 59.782 0.918 1 1 1129 . 11 1 1 A 92 92 PHE CB C 92 38.000 39.372 -1.372 1 1 1135 . 11 1 1 A 92 92 PHE N N 92 114.400 118.387 -3.987 1 1 1136 . 11 1 1 A 93 93 ASP H H 93 7.870 8.090 -0.220 1 1 1137 . 11 1 1 A 93 93 ASP HA H 93 4.450 4.423 0.027 1 1 1140 . 11 1 1 A 93 93 ASP C C 93 176.830 176.251 0.579 1 1 1141 . 11 1 1 A 93 93 ASP CA C 93 52.300 52.258 0.042 1 1 1142 . 11 1 1 A 93 93 ASP CB C 93 38.800 39.017 -0.217 1 1 1143 . 11 1 1 A 93 93 ASP N N 93 115.100 116.980 -1.880 1 1 1144 . 11 1 1 A 94 94 LYS H H 94 7.510 7.822 -0.312 1 1 1145 . 11 1 1 A 94 94 LYS HA H 94 3.770 3.760 0.010 1 1 1154 . 11 1 1 A 94 94 LYS C C 94 176.650 177.656 -1.006 1 1 1155 . 11 1 1 A 94 94 LYS CA C 94 59.400 59.965 -0.565 1 1 1156 . 11 1 1 A 94 94 LYS CB C 94 32.800 32.082 0.718 1 1 1160 . 11 1 1 A 94 94 LYS N N 94 124.250 126.589 -2.339 1 1 1161 . 11 1 1 A 95 95 ASP H H 95 8.190 7.615 0.575 1 1 1162 . 11 1 1 A 95 95 ASP HA H 95 4.430 4.591 -0.161 1 1 1165 . 11 1 1 A 95 95 ASP C C 95 177.580 177.595 -0.015 1 1 1166 . 11 1 1 A 95 95 ASP CA C 95 53.600 53.176 0.424 1 1 1167 . 11 1 1 A 95 95 ASP CB C 95 39.900 39.934 -0.034 1 1 1168 . 11 1 1 A 95 95 ASP N N 95 113.600 114.931 -1.331 1 1 1169 . 11 1 1 A 96 96 GLY H H 96 7.770 7.943 -0.173 1 1 1170 . 11 1 1 A 96 96 GLY HA2 H 96 3.750 3.881 -0.131 1 1 1171 . 11 1 1 A 96 96 GLY HA3 H 96 3.750 3.890 -0.140 1 1 1172 . 11 1 1 A 96 96 GLY C C 96 178.400 175.444 2.956 1 1 1173 . 11 1 1 A 96 96 GLY CA C 96 47.100 46.991 0.109 1 1 1174 . 11 1 1 A 96 96 GLY N N 96 108.900 109.090 -0.190 1 1 1175 . 11 1 1 A 97 97 ASN H H 97 8.270 8.073 0.197 1 1 1176 . 11 1 1 A 97 97 ASN HA H 97 4.520 4.744 -0.224 1 1 1181 . 11 1 1 A 97 97 ASN CA C 97 52.900 52.372 0.528 1 1 1182 . 11 1 1 A 97 97 ASN CB C 97 38.100 38.114 -0.014 1 1 1183 . 11 1 1 A 97 97 ASN N N 97 119.460 118.853 0.607 1 1 1185 . 11 1 1 A 98 98 GLY H H 98 10.660 9.379 1.281 1 1 1186 . 11 1 1 A 98 98 GLY HA2 H 98 3.330 3.480 -0.150 1 1 1187 . 11 1 1 A 98 98 GLY HA3 H 98 3.960 3.773 0.187 1 1 1188 . 11 1 1 A 98 98 GLY C C 98 178.360 172.604 5.756 1 1 1189 . 11 1 1 A 98 98 GLY CA C 98 45.800 45.211 0.589 1 1 1190 . 11 1 1 A 98 98 GLY N N 98 112.700 111.292 1.408 1 1 1191 . 11 1 1 A 99 99 TYR H H 99 7.570 8.737 -1.167 1 1 1192 . 11 1 1 A 99 99 TYR HA H 99 4.850 5.394 -0.544 1 1 1199 . 11 1 1 A 99 99 TYR C C 99 176.090 175.024 1.066 1 1 1200 . 11 1 1 A 99 99 TYR CA C 99 56.250 55.967 0.283 1 1 1201 . 11 1 1 A 99 99 TYR CB C 99 42.700 43.199 -0.499 1 1 1206 . 11 1 1 A 99 99 TYR N N 99 115.850 117.362 -1.512 1 1 1207 . 11 1 1 A 100 100 ILE H H 100 10.120 9.216 0.904 1 1 1208 . 11 1 1 A 100 100 ILE HA H 100 4.600 4.809 -0.209 1 1 1218 . 11 1 1 A 100 100 ILE C C 100 172.730 175.318 -2.588 1 1 1219 . 11 1 1 A 100 100 ILE CA C 100 61.500 60.571 0.929 1 1 1220 . 11 1 1 A 100 100 ILE CB C 100 39.300 39.042 0.258 1 1 1224 . 11 1 1 A 100 100 ILE N N 100 127.260 124.763 2.497 1 1 1225 . 11 1 1 A 101 101 SER H H 101 9.010 9.053 -0.043 1 1 1226 . 11 1 1 A 101 101 SER HA H 101 4.820 4.817 0.003 1 1 1229 . 11 1 1 A 101 101 SER C C 101 174.660 175.782 -1.122 1 1 1230 . 11 1 1 A 101 101 SER CA C 101 55.900 57.312 -1.412 1 1 1231 . 11 1 1 A 101 101 SER CB C 101 67.000 64.643 2.357 1 1 1232 . 11 1 1 A 101 101 SER N N 101 123.850 122.864 0.986 1 1 1233 . 11 1 1 A 102 102 ALA H H 102 9.240 9.033 0.207 1 1 1234 . 11 1 1 A 102 102 ALA HA H 102 3.830 4.058 -0.228 1 1 1238 . 11 1 1 A 102 102 ALA C C 102 175.840 179.843 -4.003 1 1 1239 . 11 1 1 A 102 102 ALA CA C 102 56.170 55.861 0.309 1 1 1240 . 11 1 1 A 102 102 ALA CB C 102 18.200 17.908 0.292 1 1 1241 . 11 1 1 A 102 102 ALA N N 102 122.650 130.195 -7.545 1 1 1242 . 11 1 1 A 103 103 ALA H H 103 8.180 8.190 -0.010 1 1 1243 . 11 1 1 A 103 103 ALA HA H 103 3.980 3.986 -0.006 1 1 1247 . 11 1 1 A 103 103 ALA C C 103 175.260 180.234 -4.974 1 1 1248 . 11 1 1 A 103 103 ALA CA C 103 55.200 55.295 -0.095 1 1 1249 . 11 1 1 A 103 103 ALA CB C 103 18.500 18.576 -0.076 1 1 1250 . 11 1 1 A 103 103 ALA N N 103 118.250 119.670 -1.420 1 1 1251 . 11 1 1 A 104 104 GLU H H 104 7.860 7.876 -0.016 1 1 1252 . 11 1 1 A 104 104 GLU HA H 104 3.890 3.923 -0.033 1 1 1257 . 11 1 1 A 104 104 GLU C C 104 179.350 179.033 0.317 1 1 1258 . 11 1 1 A 104 104 GLU CA C 104 59.800 59.300 0.500 1 1 1259 . 11 1 1 A 104 104 GLU CB C 104 29.500 30.204 -0.704 1 1 1261 . 11 1 1 A 104 104 GLU N N 104 120.200 118.141 2.059 1 1 1262 . 11 1 1 A 105 105 LEU H H 105 8.500 7.967 0.533 1 1 1263 . 11 1 1 A 105 105 LEU HA H 105 3.960 3.967 -0.007 1 1 1273 . 11 1 1 A 105 105 LEU C C 105 179.190 178.302 0.888 1 1 1274 . 11 1 1 A 105 105 LEU CA C 105 58.400 57.908 0.492 1 1 1275 . 11 1 1 A 105 105 LEU CB C 105 42.600 41.654 0.946 1 1 1279 . 11 1 1 A 105 105 LEU N N 105 120.100 121.278 -1.178 1 1 1280 . 11 1 1 A 106 106 ARG H H 106 8.490 8.376 0.114 1 1 1281 . 11 1 1 A 106 106 ARG HA H 106 3.550 4.146 -0.596 1 1 1288 . 11 1 1 A 106 106 ARG C C 106 175.240 178.310 -3.070 1 1 1289 . 11 1 1 A 106 106 ARG CA C 106 60.300 58.555 1.745 1 1 1290 . 11 1 1 A 106 106 ARG CB C 106 30.400 29.767 0.633 1 1 1293 . 11 1 1 A 106 106 ARG N N 106 117.300 117.356 -0.056 1 1 1294 . 11 1 1 A 107 107 HIS H H 107 7.870 8.038 -0.168 1 1 1295 . 11 1 1 A 107 107 HIS HA H 107 4.120 4.193 -0.073 1 1 1300 . 11 1 1 A 107 107 HIS C C 107 176.690 177.145 -0.455 1 1 1301 . 11 1 1 A 107 107 HIS CA C 107 60.300 59.154 1.146 1 1 1302 . 11 1 1 A 107 107 HIS CB C 107 31.100 29.715 1.385 1 1 1304 . 11 1 1 A 107 107 HIS N N 107 120.000 120.264 -0.264 1 1 1306 . 11 1 1 A 108 108 VAL H H 108 8.190 8.675 -0.485 1 1 1307 . 11 1 1 A 108 108 VAL HA H 108 3.400 3.423 -0.023 1 1 1315 . 11 1 1 A 108 108 VAL C C 108 178.430 177.852 0.578 1 1 1316 . 11 1 1 A 108 108 VAL CA C 108 66.500 66.475 0.025 1 1 1317 . 11 1 1 A 108 108 VAL CB C 108 31.800 31.009 0.791 1 1 1320 . 11 1 1 A 108 108 VAL N N 108 118.980 119.572 -0.592 1 1 1321 . 11 1 1 A 109 109 MET H H 109 8.180 7.711 0.469 1 1 1322 . 11 1 1 A 109 109 MET HA H 109 4.220 4.077 0.143 1 1 1330 . 11 1 1 A 109 109 MET C C 109 179.690 178.190 1.500 1 1 1331 . 11 1 1 A 109 109 MET CA C 109 57.300 58.726 -1.426 1 1 1332 . 11 1 1 A 109 109 MET CB C 109 29.700 32.341 -2.641 1 1 1335 . 11 1 1 A 109 109 MET N N 109 114.980 117.522 -2.542 1 1 1336 . 11 1 1 A 110 110 THR H H 110 8.220 8.185 0.035 1 1 1337 . 11 1 1 A 110 110 THR HA H 110 4.000 3.951 0.049 1 1 1342 . 11 1 1 A 110 110 THR C C 110 176.410 176.333 0.077 1 1 1343 . 11 1 1 A 110 110 THR CA C 110 67.100 65.899 1.201 1 1 1344 . 11 1 1 A 110 110 THR CB C 110 68.500 68.161 0.339 1 1 1346 . 11 1 1 A 110 110 THR N N 110 116.970 112.863 4.107 1 1 1347 . 11 1 1 A 111 111 ASN H H 111 7.780 8.139 -0.359 1 1 1348 . 11 1 1 A 111 111 ASN HA H 111 4.320 4.415 -0.095 1 1 1353 . 11 1 1 A 111 111 ASN CA C 111 55.800 55.492 0.308 1 1 1354 . 11 1 1 A 111 111 ASN CB C 111 38.200 37.489 0.711 1 1 1355 . 11 1 1 A 111 111 ASN N N 111 122.350 119.615 2.735 1 1 1357 . 11 1 1 A 112 112 LEU H H 112 7.480 7.503 -0.023 1 1 1358 . 11 1 1 A 112 112 LEU HA H 112 4.210 4.311 -0.101 1 1 1368 . 11 1 1 A 112 112 LEU C C 112 178.710 177.071 1.639 1 1 1369 . 11 1 1 A 112 112 LEU CA C 112 55.100 55.199 -0.099 1 1 1370 . 11 1 1 A 112 112 LEU CB C 112 42.500 42.528 -0.028 1 1 1374 . 11 1 1 A 112 112 LEU N N 112 118.300 117.788 0.512 1 1 1375 . 11 1 1 A 113 113 GLY H H 113 7.740 7.661 0.079 1 1 1376 . 11 1 1 A 113 113 GLY HA2 H 113 3.580 3.916 -0.336 1 1 1377 . 11 1 1 A 113 113 GLY HA3 H 113 4.140 3.926 0.214 1 1 1378 . 11 1 1 A 113 113 GLY C C 113 176.830 174.754 2.076 1 1 1379 . 11 1 1 A 113 113 GLY CA C 113 45.370 46.428 -1.058 1 1 1380 . 11 1 1 A 113 113 GLY N N 113 106.500 108.308 -1.808 1 1 1381 . 11 1 1 A 114 114 GLU H H 114 7.780 7.859 -0.079 1 1 1382 . 11 1 1 A 114 114 GLU HA H 114 4.240 4.238 0.002 1 1 1387 . 11 1 1 A 114 114 GLU C C 114 176.790 176.278 0.512 1 1 1388 . 11 1 1 A 114 114 GLU CA C 114 54.800 58.028 -3.228 1 1 1389 . 11 1 1 A 114 114 GLU CB C 114 29.900 30.265 -0.365 1 1 1391 . 11 1 1 A 114 114 GLU N N 114 119.300 121.355 -2.055 1 1 1392 . 11 1 1 A 115 115 LYS H H 115 8.540 7.988 0.552 1 1 1393 . 11 1 1 A 115 115 LYS HA H 115 4.270 3.943 0.327 1 1 1402 . 11 1 1 A 115 115 LYS C C 115 174.300 176.053 -1.753 1 1 1403 . 11 1 1 A 115 115 LYS CA C 115 55.500 57.139 -1.639 1 1 1404 . 11 1 1 A 115 115 LYS CB C 115 31.900 31.016 0.884 1 1 1408 . 11 1 1 A 115 115 LYS N N 115 125.000 119.846 5.154 1 1 1409 . 11 1 1 A 116 116 LEU H H 116 8.000 7.674 0.326 1 1 1410 . 11 1 1 A 116 116 LEU HA H 116 4.630 4.451 0.179 1 1 1420 . 11 1 1 A 116 116 LEU C C 116 175.060 176.759 -1.699 1 1 1421 . 11 1 1 A 116 116 LEU CA C 116 54.100 53.754 0.346 1 1 1422 . 11 1 1 A 116 116 LEU CB C 116 44.100 42.979 1.121 1 1 1426 . 11 1 1 A 116 116 LEU N N 116 123.620 116.118 7.502 1 1 1427 . 11 1 1 A 117 117 THR H H 117 9.140 8.782 0.358 1 1 1428 . 11 1 1 A 117 117 THR HA H 117 4.340 4.629 -0.289 1 1 1433 . 11 1 1 A 117 117 THR C C 117 175.610 175.276 0.334 1 1 1434 . 11 1 1 A 117 117 THR CA C 117 60.500 60.519 -0.019 1 1 1435 . 11 1 1 A 117 117 THR CB C 117 71.100 71.550 -0.450 1 1 1437 . 11 1 1 A 117 117 THR N N 117 114.240 111.547 2.693 1 1 1438 . 11 1 1 A 118 118 ASP H H 118 8.820 8.950 -0.130 1 1 1439 . 11 1 1 A 118 118 ASP HA H 118 4.100 4.236 -0.136 1 1 1442 . 11 1 1 A 118 118 ASP C C 118 178.610 177.912 0.698 1 1 1443 . 11 1 1 A 118 118 ASP CA C 118 58.000 58.092 -0.092 1 1 1444 . 11 1 1 A 118 118 ASP CB C 118 39.700 41.236 -1.536 1 1 1445 . 11 1 1 A 118 118 ASP N N 118 120.660 121.844 -1.184 1 1 1446 . 11 1 1 A 119 119 GLU H H 119 8.450 8.326 0.124 1 1 1447 . 11 1 1 A 119 119 GLU HA H 119 3.960 3.988 -0.028 1 1 1452 . 11 1 1 A 119 119 GLU C C 119 175.620 179.317 -3.697 1 1 1453 . 11 1 1 A 119 119 GLU CA C 119 59.800 59.767 0.033 1 1 1454 . 11 1 1 A 119 119 GLU CB C 119 29.400 29.053 0.347 1 1 1456 . 11 1 1 A 119 119 GLU N N 119 118.790 118.660 0.130 1 1 1457 . 11 1 1 A 120 120 GLU H H 120 7.570 7.317 0.253 1 1 1458 . 11 1 1 A 120 120 GLU HA H 120 3.950 4.137 -0.187 1 1 1463 . 11 1 1 A 120 120 GLU C C 120 178.630 179.088 -0.458 1 1 1464 . 11 1 1 A 120 120 GLU CA C 120 59.600 58.752 0.848 1 1 1465 . 11 1 1 A 120 120 GLU CB C 120 29.400 29.199 0.201 1 1 1467 . 11 1 1 A 120 120 GLU N N 120 120.120 120.101 0.019 1 1 1468 . 11 1 1 A 121 121 VAL H H 121 7.750 7.976 -0.226 1 1 1469 . 11 1 1 A 121 121 VAL HA H 121 3.240 3.546 -0.306 1 1 1477 . 11 1 1 A 121 121 VAL C C 121 179.110 177.456 1.654 1 1 1478 . 11 1 1 A 121 121 VAL CA C 121 67.300 66.400 0.900 1 1 1479 . 11 1 1 A 121 121 VAL CB C 121 31.550 31.560 -0.010 1 1 1482 . 11 1 1 A 121 121 VAL N N 121 119.400 121.396 -1.996 1 1 1483 . 11 1 1 A 122 122 ASP H H 122 7.840 7.811 0.029 1 1 1484 . 11 1 1 A 122 122 ASP HA H 122 4.260 4.364 -0.104 1 1 1487 . 11 1 1 A 122 122 ASP C C 122 178.890 178.736 0.154 1 1 1488 . 11 1 1 A 122 122 ASP CA C 122 57.700 57.054 0.646 1 1 1489 . 11 1 1 A 122 122 ASP CB C 122 40.200 40.369 -0.169 1 1 1490 . 11 1 1 A 122 122 ASP N N 122 118.550 119.401 -0.851 1 1 1491 . 11 1 1 A 123 123 GLU H H 123 8.110 8.334 -0.224 1 1 1492 . 11 1 1 A 123 123 GLU HA H 123 3.880 4.060 -0.180 1 1 1497 . 11 1 1 A 123 123 GLU C C 123 177.710 178.582 -0.872 1 1 1498 . 11 1 1 A 123 123 GLU CA C 123 59.600 59.345 0.255 1 1 1499 . 11 1 1 A 123 123 GLU CB C 123 29.400 29.038 0.362 1 1 1501 . 11 1 1 A 123 123 GLU N N 123 119.670 120.106 -0.436 1 1 1502 . 11 1 1 A 124 124 MET H H 124 8.000 8.076 -0.076 1 1 1503 . 11 1 1 A 124 124 MET HA H 124 3.700 4.063 -0.363 1 1 1511 . 11 1 1 A 124 124 MET C C 124 179.020 178.565 0.455 1 1 1512 . 11 1 1 A 124 124 MET CA C 124 60.700 58.825 1.875 1 1 1513 . 11 1 1 A 124 124 MET CB C 124 33.200 32.819 0.381 1 1 1516 . 11 1 1 A 124 124 MET N N 124 118.100 118.819 -0.719 1 1 1517 . 11 1 1 A 125 125 ILE H H 125 8.220 8.053 0.167 1 1 1518 . 11 1 1 A 125 125 ILE HA H 125 3.610 3.903 -0.293 1 1 1528 . 11 1 1 A 125 125 ILE C C 125 179.410 178.170 1.240 1 1 1529 . 11 1 1 A 125 125 ILE CA C 125 64.200 64.856 -0.656 1 1 1530 . 11 1 1 A 125 125 ILE CB C 125 36.000 37.646 -1.646 1 1 1534 . 11 1 1 A 125 125 ILE N N 125 121.400 116.786 4.614 1 1 1535 . 11 1 1 A 126 126 ARG H H 126 8.510 7.956 0.554 1 1 1536 . 11 1 1 A 126 126 ARG HA H 126 3.930 3.911 0.019 1 1 1543 . 11 1 1 A 126 126 ARG C C 126 178.070 179.002 -0.932 1 1 1544 . 11 1 1 A 126 126 ARG CA C 126 59.500 59.872 -0.372 1 1 1545 . 11 1 1 A 126 126 ARG CB C 126 30.300 29.842 0.458 1 1 1548 . 11 1 1 A 126 126 ARG N N 126 117.650 121.311 -3.661 1 1 1549 . 11 1 1 A 127 127 GLU H H 127 7.820 8.302 -0.482 1 1 1550 . 11 1 1 A 127 127 GLU HA H 127 3.880 4.030 -0.150 1 1 1555 . 11 1 1 A 127 127 GLU C C 127 180.080 178.129 1.951 1 1 1556 . 11 1 1 A 127 127 GLU CA C 127 58.300 59.335 -1.035 1 1 1557 . 11 1 1 A 127 127 GLU CB C 127 29.800 29.343 0.457 1 1 1559 . 11 1 1 A 127 127 GLU N N 127 115.300 119.710 -4.410 1 1 1560 . 11 1 1 A 128 128 ALA H H 128 6.960 7.130 -0.170 1 1 1561 . 11 1 1 A 128 128 ALA HA H 128 4.340 4.400 -0.060 1 1 1565 . 11 1 1 A 128 128 ALA C C 128 181.640 177.204 4.436 1 1 1566 . 11 1 1 A 128 128 ALA CA C 128 51.700 51.974 -0.274 1 1 1567 . 11 1 1 A 128 128 ALA CB C 128 22.400 20.030 2.370 1 1 1568 . 11 1 1 A 128 128 ALA N N 128 115.890 120.523 -4.633 1 1 1569 . 11 1 1 A 129 129 ASP H H 129 8.210 7.700 0.510 1 1 1570 . 11 1 1 A 129 129 ASP HA H 129 4.360 4.572 -0.212 1 1 1573 . 11 1 1 A 129 129 ASP C C 129 176.420 176.985 -0.565 1 1 1574 . 11 1 1 A 129 129 ASP CA C 129 54.300 54.002 0.298 1 1 1575 . 11 1 1 A 129 129 ASP CB C 129 40.400 40.549 -0.149 1 1 1576 . 11 1 1 A 129 129 ASP N N 129 117.100 118.900 -1.800 1 1 1577 . 11 1 1 A 130 130 ILE H H 130 8.250 8.442 -0.192 1 1 1578 . 11 1 1 A 130 130 ILE HA H 130 3.800 4.045 -0.245 1 1 1588 . 11 1 1 A 130 130 ILE C C 130 177.960 175.276 2.684 1 1 1589 . 11 1 1 A 130 130 ILE CA C 130 63.500 62.772 0.728 1 1 1590 . 11 1 1 A 130 130 ILE CB C 130 38.500 38.017 0.483 1 1 1594 . 11 1 1 A 130 130 ILE N N 130 127.900 122.362 5.538 1 1 1595 . 11 1 1 A 131 131 ASP H H 131 8.220 7.627 0.593 1 1 1596 . 11 1 1 A 131 131 ASP HA H 131 4.400 4.956 -0.556 1 1 1599 . 11 1 1 A 131 131 ASP C C 131 175.850 175.901 -0.051 1 1 1600 . 11 1 1 A 131 131 ASP CA C 131 53.800 52.525 1.275 1 1 1601 . 11 1 1 A 131 131 ASP CB C 131 39.900 44.051 -4.151 1 1 1602 . 11 1 1 A 131 131 ASP N N 131 116.250 119.239 -2.989 1 1 1603 . 11 1 1 A 132 132 GLY H H 132 7.520 9.085 -1.565 1 1 1604 . 11 1 1 A 132 132 GLY HA2 H 132 3.700 3.890 -0.190 1 1 1605 . 11 1 1 A 132 132 GLY HA3 H 132 3.900 3.893 0.007 1 1 1606 . 11 1 1 A 132 132 GLY C C 132 177.820 175.055 2.765 1 1 1607 . 11 1 1 A 132 132 GLY CA C 132 47.400 47.225 0.175 1 1 1608 . 11 1 1 A 132 132 GLY N N 132 108.170 107.804 0.366 1 1 1609 . 11 1 1 A 133 133 ASP H H 133 8.240 8.409 -0.169 1 1 1610 . 11 1 1 A 133 133 ASP HA H 133 4.360 4.528 -0.168 1 1 1613 . 11 1 1 A 133 133 ASP C C 133 178.290 177.567 0.723 1 1 1614 . 11 1 1 A 133 133 ASP CA C 133 53.800 53.473 0.327 1 1 1615 . 11 1 1 A 133 133 ASP CB C 133 40.300 40.296 0.004 1 1 1616 . 11 1 1 A 133 133 ASP N N 133 120.370 120.136 0.234 1 1 1617 . 11 1 1 A 134 134 GLY H H 134 10.140 9.415 0.725 1 1 1618 . 11 1 1 A 134 134 GLY HA2 H 134 3.300 3.842 -0.542 1 1 1619 . 11 1 1 A 134 134 GLY HA3 H 134 3.930 3.851 0.079 1 1 1620 . 11 1 1 A 134 134 GLY C C 134 175.350 173.218 2.132 1 1 1621 . 11 1 1 A 134 134 GLY CA C 134 45.900 45.641 0.259 1 1 1622 . 11 1 1 A 134 134 GLY N N 134 112.150 111.344 0.806 1 1 1623 . 11 1 1 A 135 135 GLN H H 135 7.910 8.156 -0.246 1 1 1624 . 11 1 1 A 135 135 GLN HA H 135 4.870 4.974 -0.104 1 1 1631 . 11 1 1 A 135 135 GLN C C 135 177.620 174.556 3.064 1 1 1632 . 11 1 1 A 135 135 GLN CA C 135 53.300 53.609 -0.309 1 1 1633 . 11 1 1 A 135 135 GLN CB C 135 33.000 32.611 0.389 1 1 1635 . 11 1 1 A 135 135 GLN N N 135 114.700 118.583 -3.883 1 1 1637 . 11 1 1 A 136 136 VAL H H 136 9.070 8.846 0.224 1 1 1638 . 11 1 1 A 136 136 VAL HA H 136 5.110 5.085 0.025 1 1 1646 . 11 1 1 A 136 136 VAL C C 136 172.750 175.774 -3.024 1 1 1647 . 11 1 1 A 136 136 VAL CA C 136 61.800 61.691 0.109 1 1 1648 . 11 1 1 A 136 136 VAL CB C 136 34.100 32.982 1.118 1 1 1651 . 11 1 1 A 136 136 VAL N N 136 124.900 122.434 2.466 1 1 1652 . 11 1 1 A 137 137 ASN H H 137 9.450 9.045 0.405 1 1 1653 . 11 1 1 A 137 137 ASN HA H 137 5.240 5.332 -0.092 1 1 1658 . 11 1 1 A 137 137 ASN CA C 137 51.400 52.837 -1.437 1 1 1659 . 11 1 1 A 137 137 ASN CB C 137 40.000 39.672 0.328 1 1 1660 . 11 1 1 A 137 137 ASN N N 137 128.840 126.037 2.803 1 1 1662 . 11 1 1 A 138 138 TYR H H 138 8.330 9.039 -0.709 1 1 1663 . 11 1 1 A 138 138 TYR HA H 138 3.240 4.330 -1.090 1 1 1670 . 11 1 1 A 138 138 TYR C C 138 180.030 177.195 2.835 1 1 1671 . 11 1 1 A 138 138 TYR CA C 138 62.400 62.352 0.048 1 1 1672 . 11 1 1 A 138 138 TYR CB C 138 38.000 38.524 -0.524 1 1 1677 . 11 1 1 A 138 138 TYR N N 138 118.150 123.704 -5.554 1 1 1678 . 11 1 1 A 139 139 GLU H H 139 7.990 8.269 -0.279 1 1 1679 . 11 1 1 A 139 139 GLU HA H 139 3.520 3.827 -0.307 1 1 1684 . 11 1 1 A 139 139 GLU C C 139 179.170 179.266 -0.096 1 1 1685 . 11 1 1 A 139 139 GLU CA C 139 60.550 60.231 0.319 1 1 1686 . 11 1 1 A 139 139 GLU CB C 139 29.100 29.615 -0.515 1 1 1688 . 11 1 1 A 139 139 GLU N N 139 118.100 117.956 0.144 1 1 1689 . 11 1 1 A 140 140 GLU H H 140 8.640 8.153 0.487 1 1 1690 . 11 1 1 A 140 140 GLU HA H 140 3.780 4.089 -0.309 1 1 1695 . 11 1 1 A 140 140 GLU C C 140 181.440 179.067 2.373 1 1 1696 . 11 1 1 A 140 140 GLU CA C 140 58.800 59.063 -0.263 1 1 1697 . 11 1 1 A 140 140 GLU CB C 140 29.200 29.758 -0.558 1 1 1699 . 11 1 1 A 140 140 GLU N N 140 119.300 120.499 -1.199 1 1 1700 . 11 1 1 A 141 141 PHE H H 141 8.470 8.066 0.404 1 1 1701 . 11 1 1 A 141 141 PHE HA H 141 3.380 3.939 -0.559 1 1 1709 . 11 1 1 A 141 141 PHE C C 141 178.980 176.795 2.185 1 1 1710 . 11 1 1 A 141 141 PHE CA C 141 61.900 61.328 0.572 1 1 1711 . 11 1 1 A 141 141 PHE CB C 141 40.200 39.269 0.931 1 1 1717 . 11 1 1 A 141 141 PHE N N 141 123.640 121.637 2.003 1 1 1718 . 11 1 1 A 142 142 VAL H H 142 8.510 8.075 0.435 1 1 1719 . 11 1 1 A 142 142 VAL HA H 142 3.000 3.319 -0.319 1 1 1727 . 11 1 1 A 142 142 VAL C C 142 176.540 177.799 -1.259 1 1 1728 . 11 1 1 A 142 142 VAL CA C 142 66.900 66.384 0.516 1 1 1729 . 11 1 1 A 142 142 VAL CB C 142 31.450 31.335 0.115 1 1 1732 . 11 1 1 A 142 142 VAL N N 142 118.330 118.940 -0.610 1 1 1733 . 11 1 1 A 143 143 GLN H H 143 7.520 8.450 -0.930 1 1 1734 . 11 1 1 A 143 143 GLN HA H 143 3.750 3.918 -0.168 1 1 1741 . 11 1 1 A 143 143 GLN C C 143 176.630 178.903 -2.273 1 1 1742 . 11 1 1 A 143 143 GLN CA C 143 58.900 59.356 -0.456 1 1 1743 . 11 1 1 A 143 143 GLN CB C 143 28.200 28.146 0.054 1 1 1745 . 11 1 1 A 143 143 GLN N N 143 118.100 118.538 -0.438 1 1 1747 . 11 1 1 A 144 144 MET H H 144 7.250 7.839 -0.589 1 1 1748 . 11 1 1 A 144 144 MET HA H 144 4.090 4.225 -0.135 1 1 1756 . 11 1 1 A 144 144 MET C C 144 179.340 178.743 0.597 1 1 1757 . 11 1 1 A 144 144 MET CA C 144 56.750 57.457 -0.707 1 1 1758 . 11 1 1 A 144 144 MET CB C 144 30.800 32.484 -1.684 1 1 1761 . 11 1 1 A 144 144 MET N N 144 117.300 118.910 -1.610 1 1 1762 . 11 1 1 A 145 145 MET H H 145 7.460 7.796 -0.336 1 1 1763 . 11 1 1 A 145 145 MET HA H 145 3.900 4.005 -0.105 1 1 1771 . 11 1 1 A 145 145 MET C C 145 178.110 177.569 0.541 1 1 1772 . 11 1 1 A 145 145 MET CA C 145 56.800 58.101 -1.301 1 1 1773 . 11 1 1 A 145 145 MET CB C 145 31.800 33.692 -1.892 1 1 1776 . 11 1 1 A 145 145 MET N N 145 114.350 118.439 -4.089 1 1 1777 . 11 1 1 A 146 146 THR H H 146 7.560 8.209 -0.649 1 1 1778 . 11 1 1 A 146 146 THR HA H 146 4.220 4.408 -0.188 1 1 1783 . 11 1 1 A 146 146 THR C C 146 177.440 174.204 3.236 1 1 1784 . 11 1 1 A 146 146 THR CA C 146 62.650 60.950 1.700 1 1 1785 . 11 1 1 A 146 146 THR CB C 146 69.700 68.020 1.680 1 1 1787 . 11 1 1 A 146 146 THR N N 146 109.350 109.895 -0.545 1 1 1788 . 11 1 1 A 147 147 ALA H H 147 7.420 7.264 0.156 1 1 1789 . 11 1 1 A 147 147 ALA HA H 147 4.170 4.312 -0.142 1 1 1793 . 11 1 1 A 147 147 ALA C C 147 177.480 176.316 1.164 1 1 1794 . 11 1 1 A 147 147 ALA CA C 147 52.900 51.648 1.252 1 1 1795 . 11 1 1 A 147 147 ALA CB C 147 19.200 18.147 1.053 1 1 1796 . 11 1 1 A 147 147 ALA N N 147 125.650 126.132 -0.482 1 1 1814 . 11 2 2 B 1 1 ARG H H 1088 8.270 8.002 0.268 1 1 1815 . 11 2 2 B 1 1 ARG HA H 1088 3.860 4.202 -0.342 1 1 1822 . 11 2 2 B 1 1 ARG CA C 1088 59.900 57.993 1.907 1 1 1823 . 11 2 2 B 1 1 ARG CB C 1088 29.900 30.422 -0.522 1 1 1826 . 11 2 2 B 1 1 ARG N N 1088 117.300 120.117 -2.817 1 1 1827 . 11 2 2 B 2 2 GLY H H 1089 9.370 8.317 1.053 1 1 1828 . 11 2 2 B 2 2 GLY HA2 H 1089 3.520 4.020 -0.500 1 1 1829 . 11 2 2 B 2 2 GLY HA3 H 1089 3.730 4.030 -0.300 1 1 1830 . 11 2 2 B 2 2 GLY C C 1089 176.650 175.857 0.793 1 1 1831 . 11 2 2 B 2 2 GLY CA C 1089 47.200 46.382 0.818 1 1 1832 . 11 2 2 B 2 2 GLY N N 1089 105.000 107.409 -2.409 1 1 1833 . 11 2 2 B 3 3 GLN H H 1090 6.980 7.909 -0.929 1 1 1834 . 11 2 2 B 3 3 GLN HA H 1090 3.830 4.293 -0.463 1 1 1841 . 11 2 2 B 3 3 GLN C C 1090 177.680 178.663 -0.983 1 1 1842 . 11 2 2 B 3 3 GLN CA C 1090 59.100 58.737 0.363 1 1 1843 . 11 2 2 B 3 3 GLN CB C 1090 29.800 28.289 1.511 1 1 1845 . 11 2 2 B 3 3 GLN N N 1090 117.350 119.498 -2.148 1 1 1847 . 11 2 2 B 4 4 ILE H H 1091 7.760 7.729 0.031 1 1 1848 . 11 2 2 B 4 4 ILE HA H 1091 3.480 3.712 -0.232 1 1 1858 . 11 2 2 B 4 4 ILE C C 1091 175.070 178.407 -3.337 1 1 1859 . 11 2 2 B 4 4 ILE CA C 1091 65.600 65.744 -0.144 1 1 1860 . 11 2 2 B 4 4 ILE CB C 1091 38.000 38.257 -0.257 1 1 1864 . 11 2 2 B 4 4 ILE N N 1091 119.650 121.212 -1.562 1 1 1865 . 11 2 2 B 5 5 LEU H H 1092 7.830 8.361 -0.531 1 1 1866 . 11 2 2 B 5 5 LEU HA H 1092 3.820 3.920 -0.100 1 1 1876 . 11 2 2 B 5 5 LEU C C 1092 176.220 179.185 -2.965 1 1 1877 . 11 2 2 B 5 5 LEU CA C 1092 58.250 58.398 -0.148 1 1 1878 . 11 2 2 B 5 5 LEU CB C 1092 41.700 42.068 -0.368 1 1 1882 . 11 2 2 B 5 5 LEU N N 1092 119.200 118.627 0.573 1 1 1883 . 11 2 2 B 6 6 TRP H H 1093 7.650 8.296 -0.646 1 1 1884 . 11 2 2 B 6 6 TRP HA H 1093 4.120 4.317 -0.197 1 1 1893 . 11 2 2 B 6 6 TRP C C 1093 178.490 179.054 -0.564 1 1 1894 . 11 2 2 B 6 6 TRP CA C 1093 61.100 60.289 0.811 1 1 1895 . 11 2 2 B 6 6 TRP CB C 1093 30.000 29.637 0.363 1 1 1901 . 11 2 2 B 6 6 TRP N N 1093 119.200 118.864 0.336 1 1 1903 . 11 2 2 B 7 7 PHE H H 1094 8.400 8.482 -0.082 1 1 1904 . 11 2 2 B 7 7 PHE HA H 1094 4.390 4.223 0.167 1 1 1912 . 11 2 2 B 7 7 PHE C C 1094 178.840 178.003 0.837 1 1 1913 . 11 2 2 B 7 7 PHE CA C 1094 59.700 62.305 -2.605 1 1 1914 . 11 2 2 B 7 7 PHE CB C 1094 37.000 38.763 -1.763 1 1 1919 . 11 2 2 B 7 7 PHE N N 1094 117.800 117.980 -0.180 1 1 1920 . 11 2 2 B 8 8 ARG H H 1095 8.360 8.105 0.255 1 1 1921 . 11 2 2 B 8 8 ARG HA H 1095 4.140 4.065 0.075 1 1 1928 . 11 2 2 B 8 8 ARG C C 1095 178.290 179.099 -0.809 1 1 1929 . 11 2 2 B 8 8 ARG CA C 1095 59.600 59.771 -0.171 1 1 1930 . 11 2 2 B 8 8 ARG CB C 1095 30.500 30.233 0.267 1 1 1933 . 11 2 2 B 8 8 ARG N N 1095 120.800 120.043 0.757 1 1 1934 . 11 2 2 B 9 9 GLY H H 1096 8.330 8.289 0.041 1 1 1935 . 11 2 2 B 9 9 GLY HA2 H 1096 3.560 3.642 -0.082 1 1 1936 . 11 2 2 B 9 9 GLY HA3 H 1096 3.720 3.673 0.047 1 1 1937 . 11 2 2 B 9 9 GLY C C 1096 178.010 175.660 2.350 1 1 1938 . 11 2 2 B 9 9 GLY CA C 1096 47.200 47.332 -0.132 1 1 1939 . 11 2 2 B 9 9 GLY N N 1096 106.400 107.216 -0.816 1 1 1940 . 11 2 2 B 10 10 LEU H H 1097 9.090 8.125 0.965 1 1 1941 . 11 2 2 B 10 10 LEU HA H 1097 4.150 4.019 0.131 1 1 1951 . 11 2 2 B 10 10 LEU C C 1097 178.820 178.516 0.304 1 1 1952 . 11 2 2 B 10 10 LEU CA C 1097 58.500 57.363 1.137 1 1 1953 . 11 2 2 B 10 10 LEU CB C 1097 41.600 41.179 0.421 1 1 1957 . 11 2 2 B 10 10 LEU N N 1097 120.900 122.725 -1.825 1 1 1958 . 11 2 2 B 11 11 ASN H H 1098 8.380 8.531 -0.151 1 1 1959 . 11 2 2 B 11 11 ASN HA H 1098 4.440 4.490 -0.050 1 1 1964 . 11 2 2 B 11 11 ASN CA C 1098 56.700 56.613 0.087 1 1 1965 . 11 2 2 B 11 11 ASN CB C 1098 38.700 37.897 0.803 1 1 1966 . 11 2 2 B 11 11 ASN N N 1098 116.900 116.089 0.811 1 1 1968 . 11 2 2 B 12 12 ARG H H 1099 7.900 7.630 0.270 1 1 1969 . 11 2 2 B 12 12 ARG HA H 1099 3.980 4.095 -0.115 1 1 1976 . 11 2 2 B 12 12 ARG C C 1099 178.360 178.385 -0.025 1 1 1977 . 11 2 2 B 12 12 ARG CA C 1099 60.200 59.124 1.076 1 1 1978 . 11 2 2 B 12 12 ARG CB C 1099 32.600 30.024 2.576 1 1 1981 . 11 2 2 B 12 12 ARG N N 1099 120.100 119.254 0.846 1 1 1982 . 11 2 2 B 13 13 ILE H H 1100 8.230 8.054 0.176 1 1 1983 . 11 2 2 B 13 13 ILE HA H 1100 3.840 3.661 0.179 1 1 1993 . 11 2 2 B 13 13 ILE C C 1100 178.110 177.940 0.170 1 1 1994 . 11 2 2 B 13 13 ILE CA C 1100 63.800 65.447 -1.647 1 1 1995 . 11 2 2 B 13 13 ILE CB C 1100 37.300 37.627 -0.327 1 1 1999 . 11 2 2 B 13 13 ILE N N 1100 120.350 120.957 -0.607 1 1 2000 . 11 2 2 B 14 14 GLN H H 1101 8.830 7.793 1.037 1 1 2001 . 11 2 2 B 14 14 GLN HA H 1101 3.990 3.946 0.044 1 1 2008 . 11 2 2 B 14 14 GLN C C 1101 177.860 178.827 -0.967 1 1 2009 . 11 2 2 B 14 14 GLN CA C 1101 60.000 59.102 0.898 1 1 2010 . 11 2 2 B 14 14 GLN CB C 1101 28.800 28.448 0.352 1 1 2012 . 11 2 2 B 14 14 GLN N N 1101 118.700 118.055 0.645 1 1 2014 . 11 2 2 B 15 15 THR H H 1102 8.140 7.661 0.479 1 1 2015 . 11 2 2 B 15 15 THR HA H 1102 3.890 3.796 0.094 1 1 2020 . 11 2 2 B 15 15 THR C C 1102 177.470 176.572 0.898 1 1 2021 . 11 2 2 B 15 15 THR CA C 1102 67.400 67.635 -0.235 1 1 2022 . 11 2 2 B 15 15 THR CB C 1102 70.300 68.558 1.742 1 1 2024 . 11 2 2 B 15 15 THR N N 1102 117.500 117.525 -0.025 1 1 2025 . 11 2 2 B 16 16 GLN H H 1103 8.320 8.383 -0.063 1 1 2026 . 11 2 2 B 16 16 GLN HA H 1103 4.100 3.950 0.150 1 1 2033 . 11 2 2 B 16 16 GLN C C 1103 178.890 178.522 0.368 1 1 2034 . 11 2 2 B 16 16 GLN CA C 1103 60.600 59.265 1.335 1 1 2035 . 11 2 2 B 16 16 GLN CB C 1103 30.500 28.412 2.088 1 1 2037 . 11 2 2 B 16 16 GLN N N 1103 120.650 119.157 1.493 1 1 2039 . 11 2 2 B 17 17 ILE H H 1104 8.690 7.373 1.317 1 1 2040 . 11 2 2 B 17 17 ILE HA H 1104 3.470 3.997 -0.527 1 1 2050 . 11 2 2 B 17 17 ILE C C 1104 175.230 177.934 -2.704 1 1 2051 . 11 2 2 B 17 17 ILE CA C 1104 66.150 62.040 4.110 1 1 2052 . 11 2 2 B 17 17 ILE CB C 1104 38.300 38.006 0.294 1 1 2056 . 11 2 2 B 17 17 ILE N N 1104 119.400 120.196 -0.796 1 1 2057 . 11 2 2 B 18 18 LYS H H 1105 7.950 8.907 -0.957 1 1 2058 . 11 2 2 B 18 18 LYS HA H 1105 3.900 3.988 -0.088 1 1 2067 . 11 2 2 B 18 18 LYS C C 1105 177.660 178.619 -0.959 1 1 2068 . 11 2 2 B 18 18 LYS CA C 1105 60.050 59.812 0.238 1 1 2069 . 11 2 2 B 18 18 LYS CB C 1105 32.700 32.157 0.543 1 1 2073 . 11 2 2 B 18 18 LYS N N 1105 120.280 123.501 -3.221 1 1 2074 . 11 2 2 B 19 19 VAL H H 1106 8.280 7.612 0.668 1 1 2075 . 11 2 2 B 19 19 VAL HA H 1106 3.430 3.796 -0.366 1 1 2083 . 11 2 2 B 19 19 VAL C C 1106 177.660 178.367 -0.707 1 1 2084 . 11 2 2 B 19 19 VAL CA C 1106 65.900 66.619 -0.719 1 1 2085 . 11 2 2 B 19 19 VAL CB C 1106 31.400 31.735 -0.335 1 1 2088 . 11 2 2 B 19 19 VAL N N 1106 120.660 119.465 1.195 1 1 2089 . 11 2 2 B 20 20 VAL H H 1107 8.420 8.039 0.381 1 1 2090 . 11 2 2 B 20 20 VAL HA H 1107 3.580 3.901 -0.321 1 1 2098 . 11 2 2 B 20 20 VAL C C 1107 178.930 178.356 0.574 1 1 2099 . 11 2 2 B 20 20 VAL CA C 1107 68.390 66.005 2.385 1 1 2100 . 11 2 2 B 20 20 VAL CB C 1107 31.200 31.476 -0.276 1 1 2103 . 11 2 2 B 20 20 VAL N N 1107 119.990 116.485 3.505 1 1 2104 . 11 2 2 B 21 21 LYS H H 1108 8.300 8.154 0.146 1 1 2105 . 11 2 2 B 21 21 LYS HA H 1108 4.050 4.118 -0.068 1 1 2114 . 11 2 2 B 21 21 LYS C C 1108 177.230 178.963 -1.733 1 1 2115 . 11 2 2 B 21 21 LYS CA C 1108 59.980 59.757 0.223 1 1 2116 . 11 2 2 B 21 21 LYS CB C 1108 32.400 32.201 0.199 1 1 2120 . 11 2 2 B 21 21 LYS N N 1108 119.290 122.153 -2.863 1 1 2121 . 11 2 2 B 22 22 ALA H H 1109 7.690 8.092 -0.402 1 1 2122 . 11 2 2 B 22 22 ALA HA H 1109 3.900 4.189 -0.289 1 1 2126 . 11 2 2 B 22 22 ALA C C 1109 178.200 179.647 -1.447 1 1 2127 . 11 2 2 B 22 22 ALA CA C 1109 54.950 55.268 -0.318 1 1 2128 . 11 2 2 B 22 22 ALA CB C 1109 22.000 18.797 3.203 1 1 2129 . 11 2 2 B 22 22 ALA N N 1109 123.910 122.116 1.794 1 1 2130 . 11 2 2 B 23 23 PHE H H 1110 7.920 8.282 -0.362 1 1 2131 . 11 2 2 B 23 23 PHE HA H 1110 4.120 4.241 -0.121 1 1 2139 . 11 2 2 B 23 23 PHE C C 1110 178.840 178.153 0.687 1 1 2140 . 11 2 2 B 23 23 PHE CA C 1110 61.260 60.682 0.578 1 1 2141 . 11 2 2 B 23 23 PHE CB C 1110 40.200 38.861 1.339 1 1 2147 . 11 2 2 B 23 23 PHE N N 1110 118.200 115.645 2.555 1 1 2148 . 11 2 2 B 24 24 HIS H H 1111 7.960 7.495 0.465 1 1 2149 . 11 2 2 B 24 24 HIS HA H 1111 4.530 4.389 0.141 1 1 2155 . 11 2 2 B 24 24 HIS C C 1111 178.710 175.081 3.629 1 1 2156 . 11 2 2 B 24 24 HIS CA C 1111 57.200 59.885 -2.685 1 1 2157 . 11 2 2 B 24 24 HIS CB C 1111 30.200 29.808 0.392 1 1 2160 . 11 2 2 B 24 24 HIS N N 1111 117.760 117.565 0.195 1 1 2162 . 11 2 2 B 25 25 SER H H 1112 7.980 8.471 -0.491 1 1 2163 . 11 2 2 B 25 25 SER HA H 1112 4.340 4.005 0.335 1 1 2166 . 11 2 2 B 25 25 SER C C 1112 177.230 174.331 2.899 1 1 2167 . 11 2 2 B 25 25 SER CA C 1112 58.570 59.577 -1.007 1 1 2168 . 11 2 2 B 25 25 SER CB C 1112 63.800 61.513 2.287 1 1 2169 . 11 2 2 B 25 25 SER N N 1112 116.970 112.283 4.687 1 1 9 . 12 1 1 A 2 2 ASP H H 2 8.220 8.274 -0.054 1 1 10 . 12 1 1 A 2 2 ASP HA H 2 4.500 4.585 -0.085 1 1 13 . 12 1 1 A 2 2 ASP CA C 2 54.750 53.904 0.846 1 1 14 . 12 1 1 A 2 2 ASP CB C 2 41.350 39.888 1.462 1 1 15 . 12 1 1 A 2 2 ASP N N 2 121.760 116.763 4.997 1 1 16 . 12 1 1 A 3 3 GLN H H 3 8.320 7.594 0.726 1 1 17 . 12 1 1 A 3 3 GLN HA H 3 4.240 4.572 -0.332 1 1 24 . 12 1 1 A 3 3 GLN CA C 3 55.750 54.844 0.906 1 1 25 . 12 1 1 A 3 3 GLN CB C 3 29.700 29.899 -0.199 1 1 27 . 12 1 1 A 3 3 GLN N N 3 119.800 118.113 1.687 1 1 29 . 12 1 1 A 4 4 LEU H H 4 8.250 8.469 -0.219 1 1 30 . 12 1 1 A 4 4 LEU HA H 4 4.540 4.482 0.058 1 1 40 . 12 1 1 A 4 4 LEU C C 4 175.740 176.681 -0.941 1 1 41 . 12 1 1 A 4 4 LEU CA C 4 54.600 54.307 0.293 1 1 42 . 12 1 1 A 4 4 LEU CB C 4 43.600 43.117 0.483 1 1 46 . 12 1 1 A 4 4 LEU N N 4 123.100 124.171 -1.071 1 1 47 . 12 1 1 A 5 5 THR H H 5 8.680 7.562 1.118 1 1 48 . 12 1 1 A 5 5 THR HA H 5 4.350 4.282 0.068 1 1 53 . 12 1 1 A 5 5 THR C C 5 175.750 175.632 0.118 1 1 54 . 12 1 1 A 5 5 THR CA C 5 60.500 61.063 -0.563 1 1 55 . 12 1 1 A 5 5 THR CB C 5 71.100 70.141 0.959 1 1 57 . 12 1 1 A 5 5 THR N N 5 112.700 111.754 0.946 1 1 58 . 12 1 1 A 6 6 GLU H H 6 8.950 8.910 0.040 1 1 59 . 12 1 1 A 6 6 GLU HA H 6 3.880 3.970 -0.090 1 1 64 . 12 1 1 A 6 6 GLU C C 6 177.790 178.830 -1.040 1 1 65 . 12 1 1 A 6 6 GLU CA C 6 60.200 60.071 0.129 1 1 66 . 12 1 1 A 6 6 GLU CB C 6 29.300 29.456 -0.156 1 1 68 . 12 1 1 A 6 6 GLU N N 6 119.950 122.610 -2.660 1 1 69 . 12 1 1 A 7 7 GLU H H 7 8.660 8.080 0.580 1 1 70 . 12 1 1 A 7 7 GLU HA H 7 3.940 3.985 -0.045 1 1 75 . 12 1 1 A 7 7 GLU C C 7 175.460 179.028 -3.568 1 1 76 . 12 1 1 A 7 7 GLU CA C 7 60.200 59.730 0.470 1 1 77 . 12 1 1 A 7 7 GLU CB C 7 29.100 29.370 -0.270 1 1 79 . 12 1 1 A 7 7 GLU N N 7 119.250 119.492 -0.242 1 1 80 . 12 1 1 A 8 8 GLN H H 8 7.670 7.568 0.102 1 1 81 . 12 1 1 A 8 8 GLN HA H 8 3.760 4.180 -0.420 1 1 88 . 12 1 1 A 8 8 GLN C C 8 179.600 178.594 1.006 1 1 89 . 12 1 1 A 8 8 GLN CA C 8 58.800 58.496 0.304 1 1 90 . 12 1 1 A 8 8 GLN CB C 8 29.300 28.134 1.166 1 1 92 . 12 1 1 A 8 8 GLN N N 8 120.000 118.940 1.060 1 1 94 . 12 1 1 A 9 9 ILE H H 9 8.280 8.793 -0.513 1 1 95 . 12 1 1 A 9 9 ILE HA H 9 3.580 3.723 -0.143 1 1 105 . 12 1 1 A 9 9 ILE C C 9 179.270 177.938 1.332 1 1 106 . 12 1 1 A 9 9 ILE CA C 9 66.400 65.574 0.826 1 1 107 . 12 1 1 A 9 9 ILE CB C 9 38.100 37.945 0.155 1 1 111 . 12 1 1 A 9 9 ILE N N 9 119.400 120.011 -0.611 1 1 112 . 12 1 1 A 10 10 ALA H H 10 7.950 8.123 -0.173 1 1 113 . 12 1 1 A 10 10 ALA HA H 10 4.020 4.021 -0.001 1 1 117 . 12 1 1 A 10 10 ALA C C 10 178.490 179.401 -0.911 1 1 118 . 12 1 1 A 10 10 ALA CA C 10 55.400 55.897 -0.497 1 1 119 . 12 1 1 A 10 10 ALA CB C 10 17.950 18.242 -0.292 1 1 120 . 12 1 1 A 10 10 ALA N N 10 121.000 122.377 -1.377 1 1 121 . 12 1 1 A 11 11 GLU H H 11 7.730 8.003 -0.273 1 1 122 . 12 1 1 A 11 11 GLU HA H 11 4.030 4.120 -0.090 1 1 127 . 12 1 1 A 11 11 GLU C C 11 177.860 179.394 -1.534 1 1 128 . 12 1 1 A 11 11 GLU CA C 11 59.500 59.482 0.018 1 1 129 . 12 1 1 A 11 11 GLU CB C 11 29.500 29.664 -0.164 1 1 131 . 12 1 1 A 11 11 GLU N N 11 119.700 118.769 0.931 1 1 132 . 12 1 1 A 12 12 PHE H H 12 8.470 8.516 -0.046 1 1 133 . 12 1 1 A 12 12 PHE HA H 12 4.910 4.317 0.593 1 1 141 . 12 1 1 A 12 12 PHE C C 12 181.140 178.117 3.023 1 1 142 . 12 1 1 A 12 12 PHE CA C 12 59.200 61.468 -2.268 1 1 143 . 12 1 1 A 12 12 PHE CB C 12 37.700 38.592 -0.892 1 1 149 . 12 1 1 A 12 12 PHE N N 12 119.900 119.607 0.293 1 1 150 . 12 1 1 A 13 13 LYS H H 13 9.180 8.597 0.583 1 1 151 . 12 1 1 A 13 13 LYS HA H 13 3.860 3.839 0.021 1 1 160 . 12 1 1 A 13 13 LYS C C 13 180.730 178.629 2.101 1 1 161 . 12 1 1 A 13 13 LYS CA C 13 60.300 59.985 0.315 1 1 162 . 12 1 1 A 13 13 LYS CB C 13 31.900 32.663 -0.763 1 1 166 . 12 1 1 A 13 13 LYS N N 13 124.000 120.449 3.551 1 1 167 . 12 1 1 A 14 14 GLU H H 14 7.770 8.016 -0.246 1 1 168 . 12 1 1 A 14 14 GLU HA H 14 4.050 4.034 0.016 1 1 173 . 12 1 1 A 14 14 GLU C C 14 178.750 179.132 -0.382 1 1 174 . 12 1 1 A 14 14 GLU CA C 14 59.300 59.531 -0.231 1 1 175 . 12 1 1 A 14 14 GLU CB C 14 29.300 29.255 0.045 1 1 177 . 12 1 1 A 14 14 GLU N N 14 120.060 118.226 1.834 1 1 178 . 12 1 1 A 15 15 ALA H H 15 8.020 7.501 0.519 1 1 179 . 12 1 1 A 15 15 ALA HA H 15 4.110 4.129 -0.019 1 1 183 . 12 1 1 A 15 15 ALA C C 15 179.220 179.913 -0.693 1 1 184 . 12 1 1 A 15 15 ALA CA C 15 55.900 54.889 1.011 1 1 185 . 12 1 1 A 15 15 ALA CB C 15 18.430 17.913 0.517 1 1 186 . 12 1 1 A 15 15 ALA N N 15 121.660 122.758 -1.098 1 1 187 . 12 1 1 A 16 16 PHE H H 16 8.700 8.099 0.601 1 1 188 . 12 1 1 A 16 16 PHE HA H 16 3.190 3.617 -0.427 1 1 196 . 12 1 1 A 16 16 PHE C C 16 176.350 177.769 -1.419 1 1 197 . 12 1 1 A 16 16 PHE CA C 16 62.300 59.593 2.707 1 1 198 . 12 1 1 A 16 16 PHE CB C 16 39.800 37.862 1.938 1 1 204 . 12 1 1 A 16 16 PHE N N 16 118.400 116.397 2.003 1 1 205 . 12 1 1 A 17 17 SER H H 17 8.040 7.911 0.129 1 1 206 . 12 1 1 A 17 17 SER HA H 17 4.110 4.117 -0.007 1 1 209 . 12 1 1 A 17 17 SER C C 17 178.820 176.703 2.117 1 1 210 . 12 1 1 A 17 17 SER CA C 17 61.600 60.646 0.954 1 1 211 . 12 1 1 A 17 17 SER CB C 17 63.200 63.267 -0.067 1 1 212 . 12 1 1 A 17 17 SER N N 17 114.290 114.839 -0.549 1 1 213 . 12 1 1 A 18 18 LEU H H 18 7.440 7.816 -0.376 1 1 214 . 12 1 1 A 18 18 LEU HA H 18 3.970 3.973 -0.003 1 1 224 . 12 1 1 A 18 18 LEU C C 18 178.630 178.290 0.340 1 1 225 . 12 1 1 A 18 18 LEU CA C 18 56.800 57.868 -1.068 1 1 226 . 12 1 1 A 18 18 LEU CB C 18 42.600 41.621 0.979 1 1 230 . 12 1 1 A 18 18 LEU N N 18 118.200 122.576 -4.376 1 1 231 . 12 1 1 A 19 19 PHE H H 19 7.330 6.348 0.982 1 1 232 . 12 1 1 A 19 19 PHE HA H 19 3.950 4.640 -0.690 1 1 240 . 12 1 1 A 19 19 PHE C C 19 174.460 175.336 -0.876 1 1 241 . 12 1 1 A 19 19 PHE CA C 19 59.300 57.082 2.218 1 1 242 . 12 1 1 A 19 19 PHE CB C 19 41.800 39.658 2.142 1 1 248 . 12 1 1 A 19 19 PHE N N 19 114.900 113.427 1.473 1 1 249 . 12 1 1 A 20 20 ASP H H 20 7.780 6.869 0.911 1 1 250 . 12 1 1 A 20 20 ASP HA H 20 4.480 4.844 -0.364 1 1 253 . 12 1 1 A 20 20 ASP C C 20 176.700 175.902 0.798 1 1 254 . 12 1 1 A 20 20 ASP CA C 20 52.400 53.621 -1.221 1 1 255 . 12 1 1 A 20 20 ASP CB C 20 39.400 39.311 0.089 1 1 256 . 12 1 1 A 20 20 ASP N N 20 117.700 122.147 -4.447 1 1 257 . 12 1 1 A 21 21 LYS H H 21 7.480 8.120 -0.640 1 1 258 . 12 1 1 A 21 21 LYS HA H 21 3.840 3.942 -0.102 1 1 267 . 12 1 1 A 21 21 LYS C C 21 175.550 177.509 -1.959 1 1 268 . 12 1 1 A 21 21 LYS CA C 21 58.300 59.483 -1.183 1 1 269 . 12 1 1 A 21 21 LYS CB C 21 32.600 32.326 0.274 1 1 273 . 12 1 1 A 21 21 LYS N N 21 124.200 125.788 -1.588 1 1 274 . 12 1 1 A 22 22 ASP H H 22 7.910 7.972 -0.062 1 1 275 . 12 1 1 A 22 22 ASP HA H 22 4.460 4.635 -0.175 1 1 278 . 12 1 1 A 22 22 ASP C C 22 176.920 177.784 -0.864 1 1 279 . 12 1 1 A 22 22 ASP CA C 22 53.400 53.110 0.290 1 1 280 . 12 1 1 A 22 22 ASP CB C 22 39.800 39.771 0.029 1 1 281 . 12 1 1 A 22 22 ASP N N 22 113.500 115.276 -1.776 1 1 282 . 12 1 1 A 23 23 GLY H H 23 7.540 7.984 -0.444 1 1 283 . 12 1 1 A 23 23 GLY HA2 H 23 3.730 3.858 -0.128 1 1 284 . 12 1 1 A 23 23 GLY HA3 H 23 3.730 3.862 -0.132 1 1 285 . 12 1 1 A 23 23 GLY C C 23 178.030 175.119 2.911 1 1 286 . 12 1 1 A 23 23 GLY CA C 23 47.400 47.211 0.189 1 1 287 . 12 1 1 A 23 23 GLY N N 23 109.200 108.882 0.318 1 1 288 . 12 1 1 A 24 24 ASP H H 24 8.430 7.785 0.645 1 1 289 . 12 1 1 A 24 24 ASP HA H 24 4.410 4.581 -0.171 1 1 292 . 12 1 1 A 24 24 ASP C C 24 177.580 177.575 0.005 1 1 293 . 12 1 1 A 24 24 ASP CA C 24 53.770 53.581 0.189 1 1 294 . 12 1 1 A 24 24 ASP CB C 24 40.200 40.296 -0.096 1 1 295 . 12 1 1 A 24 24 ASP N N 24 120.700 120.554 0.146 1 1 296 . 12 1 1 A 25 25 GLY H H 25 10.370 9.571 0.799 1 1 297 . 12 1 1 A 25 25 GLY HA2 H 25 4.240 3.991 0.249 1 1 298 . 12 1 1 A 25 25 GLY HA3 H 25 3.610 4.008 -0.398 1 1 299 . 12 1 1 A 25 25 GLY C C 25 175.160 173.541 1.619 1 1 300 . 12 1 1 A 25 25 GLY CA C 25 45.300 45.268 0.032 1 1 301 . 12 1 1 A 25 25 GLY N N 25 112.100 112.218 -0.118 1 1 302 . 12 1 1 A 26 26 THR H H 26 8.060 7.740 0.320 1 1 303 . 12 1 1 A 26 26 THR HA H 26 5.430 5.003 0.427 1 1 308 . 12 1 1 A 26 26 THR C C 26 177.260 172.696 4.564 1 1 309 . 12 1 1 A 26 26 THR CA C 26 59.500 60.163 -0.663 1 1 310 . 12 1 1 A 26 26 THR CB C 26 72.800 71.610 1.190 1 1 312 . 12 1 1 A 26 26 THR N N 26 110.950 113.554 -2.604 1 1 313 . 12 1 1 A 27 27 ILE H H 27 9.890 8.752 1.138 1 1 314 . 12 1 1 A 27 27 ILE HA H 27 4.680 5.133 -0.453 1 1 324 . 12 1 1 A 27 27 ILE C C 27 173.810 175.647 -1.837 1 1 325 . 12 1 1 A 27 27 ILE CA C 27 61.250 60.541 0.709 1 1 326 . 12 1 1 A 27 27 ILE CB C 27 40.700 38.638 2.062 1 1 330 . 12 1 1 A 27 27 ILE N N 27 125.400 125.710 -0.310 1 1 331 . 12 1 1 A 28 28 THR H H 28 8.290 8.377 -0.087 1 1 332 . 12 1 1 A 28 28 THR HA H 28 4.680 4.941 -0.261 1 1 337 . 12 1 1 A 28 28 THR C C 28 173.550 176.179 -2.629 1 1 338 . 12 1 1 A 28 28 THR CA C 28 59.200 59.542 -0.342 1 1 339 . 12 1 1 A 28 28 THR CB C 28 72.600 72.098 0.502 1 1 341 . 12 1 1 A 28 28 THR N N 28 116.000 117.788 -1.788 1 1 342 . 12 1 1 A 29 29 THR H H 29 9.180 8.875 0.305 1 1 343 . 12 1 1 A 29 29 THR HA H 29 3.570 3.889 -0.319 1 1 348 . 12 1 1 A 29 29 THR C C 29 176.080 176.834 -0.754 1 1 349 . 12 1 1 A 29 29 THR CA C 29 66.100 66.625 -0.525 1 1 350 . 12 1 1 A 29 29 THR CB C 29 67.650 68.297 -0.647 1 1 352 . 12 1 1 A 29 29 THR N N 29 111.440 114.898 -3.458 1 1 353 . 12 1 1 A 30 30 LYS H H 30 7.340 8.139 -0.799 1 1 354 . 12 1 1 A 30 30 LYS HA H 30 3.960 3.938 0.022 1 1 363 . 12 1 1 A 30 30 LYS C C 30 176.660 179.072 -2.412 1 1 364 . 12 1 1 A 30 30 LYS CA C 30 59.100 59.600 -0.500 1 1 365 . 12 1 1 A 30 30 LYS CB C 30 32.700 32.164 0.536 1 1 369 . 12 1 1 A 30 30 LYS N N 30 120.350 121.687 -1.337 1 1 370 . 12 1 1 A 31 31 GLU H H 31 7.760 8.330 -0.570 1 1 371 . 12 1 1 A 31 31 GLU HA H 31 4.000 4.112 -0.112 1 1 376 . 12 1 1 A 31 31 GLU C C 31 177.230 179.012 -1.782 1 1 377 . 12 1 1 A 31 31 GLU CA C 31 59.600 58.953 0.647 1 1 378 . 12 1 1 A 31 31 GLU CB C 31 29.600 28.463 1.137 1 1 380 . 12 1 1 A 31 31 GLU N N 31 122.300 117.610 4.690 1 1 381 . 12 1 1 A 32 32 LEU H H 32 8.370 8.175 0.195 1 1 382 . 12 1 1 A 32 32 LEU HA H 32 4.060 3.867 0.193 1 1 392 . 12 1 1 A 32 32 LEU C C 32 179.400 178.684 0.716 1 1 393 . 12 1 1 A 32 32 LEU CA C 32 57.550 57.875 -0.325 1 1 394 . 12 1 1 A 32 32 LEU CB C 32 41.700 41.973 -0.273 1 1 398 . 12 1 1 A 32 32 LEU N N 32 120.100 123.054 -2.954 1 1 399 . 12 1 1 A 33 33 GLY H H 33 8.650 8.020 0.630 1 1 400 . 12 1 1 A 33 33 GLY HA2 H 33 3.450 3.800 -0.350 1 1 401 . 12 1 1 A 33 33 GLY HA3 H 33 3.800 3.802 -0.002 1 1 402 . 12 1 1 A 33 33 GLY C C 33 179.640 176.166 3.474 1 1 403 . 12 1 1 A 33 33 GLY CA C 33 48.300 47.816 0.484 1 1 404 . 12 1 1 A 33 33 GLY N N 33 105.700 106.148 -0.448 1 1 405 . 12 1 1 A 34 34 THR H H 34 8.070 7.750 0.320 1 1 406 . 12 1 1 A 34 34 THR HA H 34 3.790 4.016 -0.226 1 1 411 . 12 1 1 A 34 34 THR C C 34 178.670 176.193 2.477 1 1 412 . 12 1 1 A 34 34 THR CA C 34 67.300 66.740 0.560 1 1 413 . 12 1 1 A 34 34 THR CB C 34 68.700 68.651 0.049 1 1 415 . 12 1 1 A 34 34 THR N N 34 118.140 118.549 -0.409 1 1 416 . 12 1 1 A 35 35 VAL H H 35 7.510 7.827 -0.317 1 1 417 . 12 1 1 A 35 35 VAL HA H 35 3.480 3.610 -0.130 1 1 425 . 12 1 1 A 35 35 VAL C C 35 175.050 177.579 -2.529 1 1 426 . 12 1 1 A 35 35 VAL CA C 35 66.500 66.646 -0.146 1 1 427 . 12 1 1 A 35 35 VAL CB C 35 31.400 31.309 0.091 1 1 430 . 12 1 1 A 35 35 VAL N N 35 121.400 121.930 -0.530 1 1 431 . 12 1 1 A 36 36 MET H H 36 8.530 7.900 0.630 1 1 432 . 12 1 1 A 36 36 MET HA H 36 3.590 4.101 -0.511 1 1 440 . 12 1 1 A 36 36 MET C C 36 177.410 177.824 -0.414 1 1 441 . 12 1 1 A 36 36 MET CA C 36 61.900 58.539 3.361 1 1 442 . 12 1 1 A 36 36 MET CB C 36 32.600 31.074 1.526 1 1 445 . 12 1 1 A 36 36 MET N N 36 118.970 117.865 1.105 1 1 446 . 12 1 1 A 37 37 ARG H H 37 8.600 8.320 0.280 1 1 447 . 12 1 1 A 37 37 ARG HA H 37 4.720 4.047 0.673 1 1 454 . 12 1 1 A 37 37 ARG C C 37 179.250 178.782 0.468 1 1 455 . 12 1 1 A 37 37 ARG CA C 37 59.450 59.599 -0.149 1 1 456 . 12 1 1 A 37 37 ARG CB C 37 30.200 30.184 0.016 1 1 459 . 12 1 1 A 37 37 ARG N N 37 118.400 120.277 -1.877 1 1 460 . 12 1 1 A 38 38 SER H H 38 7.830 8.093 -0.263 1 1 461 . 12 1 1 A 38 38 SER HA H 38 4.240 4.342 -0.102 1 1 464 . 12 1 1 A 38 38 SER C C 38 178.480 175.926 2.554 1 1 465 . 12 1 1 A 38 38 SER CA C 38 62.100 61.368 0.732 1 1 466 . 12 1 1 A 38 38 SER CB C 38 63.400 62.925 0.475 1 1 467 . 12 1 1 A 38 38 SER N N 38 119.400 115.348 4.052 1 1 468 . 12 1 1 A 39 39 LEU H H 39 7.280 8.247 -0.967 1 1 469 . 12 1 1 A 39 39 LEU HA H 39 4.360 4.281 0.079 1 1 479 . 12 1 1 A 39 39 LEU C C 39 178.240 177.010 1.230 1 1 480 . 12 1 1 A 39 39 LEU CA C 39 54.300 55.056 -0.756 1 1 481 . 12 1 1 A 39 39 LEU CB C 39 42.100 42.307 -0.207 1 1 485 . 12 1 1 A 39 39 LEU N N 39 119.950 119.649 0.301 1 1 486 . 12 1 1 A 40 40 GLY H H 40 7.740 8.188 -0.448 1 1 487 . 12 1 1 A 40 40 GLY HA2 H 40 4.140 3.891 0.249 1 1 488 . 12 1 1 A 40 40 GLY HA3 H 40 3.650 3.898 -0.248 1 1 489 . 12 1 1 A 40 40 GLY C C 40 176.140 173.774 2.366 1 1 490 . 12 1 1 A 40 40 GLY CA C 40 45.300 45.653 -0.353 1 1 491 . 12 1 1 A 40 40 GLY N N 40 105.750 106.980 -1.230 1 1 492 . 12 1 1 A 41 41 GLN H H 41 7.710 7.874 -0.164 1 1 493 . 12 1 1 A 41 41 GLN HA H 41 4.360 4.687 -0.327 1 1 500 . 12 1 1 A 41 41 GLN C C 41 176.700 174.688 2.012 1 1 501 . 12 1 1 A 41 41 GLN CA C 41 54.900 54.057 0.843 1 1 502 . 12 1 1 A 41 41 GLN CB C 41 29.600 30.904 -1.304 1 1 504 . 12 1 1 A 41 41 GLN N N 41 118.400 118.888 -0.488 1 1 506 . 12 1 1 A 42 42 ASN H H 42 8.640 8.739 -0.099 1 1 507 . 12 1 1 A 42 42 ASN HA H 42 5.150 5.521 -0.371 1 1 512 . 12 1 1 A 42 42 ASN CA C 42 51.200 50.732 0.468 1 1 513 . 12 1 1 A 42 42 ASN CB C 42 39.500 39.516 -0.016 1 1 514 . 12 1 1 A 42 42 ASN N N 42 115.610 120.053 -4.443 1 1 516 . 12 1 1 A 43 43 PRO HA H 43 4.540 4.548 -0.008 1 1 523 . 12 1 1 A 43 43 PRO C C 43 179.440 176.369 3.071 1 1 524 . 12 1 1 A 43 43 PRO CA C 43 62.450 63.039 -0.589 1 1 525 . 12 1 1 A 43 43 PRO CB C 43 31.500 31.956 -0.456 1 1 528 . 12 1 1 A 44 44 THR H H 44 8.660 8.486 0.174 1 1 529 . 12 1 1 A 44 44 THR HA H 44 4.340 4.543 -0.203 1 1 534 . 12 1 1 A 44 44 THR CA C 44 60.450 61.328 -0.878 1 1 535 . 12 1 1 A 44 44 THR CB C 44 71.400 70.008 1.392 1 1 537 . 12 1 1 A 44 44 THR N N 44 112.600 116.809 -4.209 1 1 538 . 12 1 1 A 45 45 GLU H H 45 8.720 9.077 -0.357 1 1 539 . 12 1 1 A 45 45 GLU HA H 45 3.870 3.896 -0.026 1 1 544 . 12 1 1 A 45 45 GLU C C 45 174.270 178.172 -3.902 1 1 545 . 12 1 1 A 45 45 GLU CA C 45 59.900 59.824 0.076 1 1 546 . 12 1 1 A 45 45 GLU CB C 45 29.200 29.297 -0.097 1 1 548 . 12 1 1 A 45 45 GLU N N 45 120.150 126.873 -6.723 1 1 549 . 12 1 1 A 46 46 ALA H H 46 8.200 8.369 -0.169 1 1 550 . 12 1 1 A 46 46 ALA HA H 46 3.980 4.036 -0.056 1 1 554 . 12 1 1 A 46 46 ALA C C 46 175.180 179.997 -4.817 1 1 555 . 12 1 1 A 46 46 ALA CA C 46 55.100 54.881 0.219 1 1 556 . 12 1 1 A 46 46 ALA CB C 46 18.300 18.236 0.064 1 1 557 . 12 1 1 A 46 46 ALA N N 46 120.450 121.532 -1.082 1 1 558 . 12 1 1 A 47 47 GLU H H 47 7.630 7.810 -0.180 1 1 559 . 12 1 1 A 47 47 GLU HA H 47 3.890 4.121 -0.231 1 1 564 . 12 1 1 A 47 47 GLU C C 47 179.020 178.893 0.127 1 1 565 . 12 1 1 A 47 47 GLU CA C 47 59.500 58.875 0.625 1 1 566 . 12 1 1 A 47 47 GLU CB C 47 29.600 29.279 0.321 1 1 568 . 12 1 1 A 47 47 GLU N N 47 118.320 118.505 -0.185 1 1 569 . 12 1 1 A 48 48 LEU H H 48 7.880 8.148 -0.268 1 1 570 . 12 1 1 A 48 48 LEU HA H 48 3.790 3.959 -0.169 1 1 580 . 12 1 1 A 48 48 LEU C C 48 180.200 179.863 0.337 1 1 581 . 12 1 1 A 48 48 LEU CA C 48 58.150 57.956 0.194 1 1 582 . 12 1 1 A 48 48 LEU CB C 48 42.800 41.704 1.096 1 1 586 . 12 1 1 A 48 48 LEU N N 48 119.000 120.060 -1.060 1 1 587 . 12 1 1 A 49 49 GLN H H 49 8.080 8.294 -0.214 1 1 588 . 12 1 1 A 49 49 GLN HA H 49 3.630 3.991 -0.361 1 1 595 . 12 1 1 A 49 49 GLN C C 49 177.680 177.574 0.106 1 1 596 . 12 1 1 A 49 49 GLN CA C 49 58.600 58.965 -0.365 1 1 597 . 12 1 1 A 49 49 GLN CB C 49 28.500 28.507 -0.007 1 1 599 . 12 1 1 A 49 49 GLN N N 49 117.400 119.218 -1.818 1 1 601 . 12 1 1 A 50 50 ASP H H 50 7.960 8.180 -0.220 1 1 602 . 12 1 1 A 50 50 ASP HA H 50 4.300 4.301 -0.001 1 1 605 . 12 1 1 A 50 50 ASP C C 50 178.470 178.493 -0.023 1 1 606 . 12 1 1 A 50 50 ASP CA C 50 57.700 57.910 -0.210 1 1 607 . 12 1 1 A 50 50 ASP CB C 50 40.600 41.870 -1.270 1 1 608 . 12 1 1 A 50 50 ASP N N 50 119.050 119.541 -0.491 1 1 609 . 12 1 1 A 51 51 MET H H 51 7.750 8.263 -0.513 1 1 610 . 12 1 1 A 51 51 MET HA H 51 4.000 4.200 -0.200 1 1 618 . 12 1 1 A 51 51 MET C C 51 178.170 178.765 -0.595 1 1 619 . 12 1 1 A 51 51 MET CA C 51 59.500 58.327 1.173 1 1 620 . 12 1 1 A 51 51 MET CB C 51 34.700 33.058 1.642 1 1 623 . 12 1 1 A 51 51 MET N N 51 117.900 117.725 0.175 1 1 624 . 12 1 1 A 52 52 ILE H H 52 7.580 7.870 -0.290 1 1 625 . 12 1 1 A 52 52 ILE HA H 52 3.620 3.502 0.118 1 1 635 . 12 1 1 A 52 52 ILE C C 52 178.690 177.831 0.859 1 1 636 . 12 1 1 A 52 52 ILE CA C 52 63.600 65.378 -1.778 1 1 637 . 12 1 1 A 52 52 ILE CB C 52 36.700 37.873 -1.173 1 1 641 . 12 1 1 A 52 52 ILE N N 52 116.850 119.259 -2.409 1 1 642 . 12 1 1 A 53 53 ASN H H 53 8.570 8.430 0.140 1 1 643 . 12 1 1 A 53 53 ASN HA H 53 4.310 4.456 -0.146 1 1 648 . 12 1 1 A 53 53 ASN CA C 53 56.400 56.492 -0.092 1 1 649 . 12 1 1 A 53 53 ASN CB C 53 38.300 37.799 0.501 1 1 650 . 12 1 1 A 53 53 ASN N N 53 116.900 117.979 -1.079 1 1 652 . 12 1 1 A 54 54 GLU H H 54 7.520 7.773 -0.253 1 1 653 . 12 1 1 A 54 54 GLU HA H 54 3.950 4.101 -0.151 1 1 658 . 12 1 1 A 54 54 GLU C C 54 178.070 178.547 -0.477 1 1 659 . 12 1 1 A 54 54 GLU CA C 54 59.000 58.944 0.056 1 1 660 . 12 1 1 A 54 54 GLU CB C 54 29.800 29.567 0.233 1 1 662 . 12 1 1 A 54 54 GLU N N 54 115.650 119.615 -3.965 1 1 663 . 12 1 1 A 55 55 VAL H H 55 7.020 7.180 -0.160 1 1 664 . 12 1 1 A 55 55 VAL HA H 55 4.110 4.016 0.094 1 1 672 . 12 1 1 A 55 55 VAL C C 55 177.890 176.283 1.607 1 1 673 . 12 1 1 A 55 55 VAL CA C 55 61.210 64.610 -3.400 1 1 674 . 12 1 1 A 55 55 VAL CB C 55 33.100 32.036 1.064 1 1 677 . 12 1 1 A 55 55 VAL N N 55 111.500 119.365 -7.865 1 1 678 . 12 1 1 A 56 56 ASP H H 56 7.460 7.861 -0.401 1 1 679 . 12 1 1 A 56 56 ASP HA H 56 4.360 4.645 -0.285 1 1 682 . 12 1 1 A 56 56 ASP C C 56 177.620 176.593 1.027 1 1 683 . 12 1 1 A 56 56 ASP CA C 56 53.550 53.714 -0.164 1 1 684 . 12 1 1 A 56 56 ASP CB C 56 40.600 40.656 -0.056 1 1 685 . 12 1 1 A 56 56 ASP N N 56 121.330 121.761 -0.431 1 1 686 . 12 1 1 A 57 57 ALA H H 57 7.780 8.305 -0.525 1 1 687 . 12 1 1 A 57 57 ALA HA H 57 4.080 4.093 -0.013 1 1 691 . 12 1 1 A 57 57 ALA C C 57 175.320 178.391 -3.071 1 1 692 . 12 1 1 A 57 57 ALA CA C 57 55.000 54.984 0.016 1 1 693 . 12 1 1 A 57 57 ALA CB C 57 19.800 18.594 1.206 1 1 694 . 12 1 1 A 57 57 ALA N N 57 130.400 128.136 2.264 1 1 695 . 12 1 1 A 58 58 ASP H H 58 8.140 8.095 0.045 1 1 696 . 12 1 1 A 58 58 ASP HA H 58 4.540 4.579 -0.039 1 1 699 . 12 1 1 A 58 58 ASP C C 58 176.130 177.511 -1.381 1 1 700 . 12 1 1 A 58 58 ASP CA C 58 52.950 53.225 -0.275 1 1 701 . 12 1 1 A 58 58 ASP CB C 58 40.100 40.013 0.087 1 1 702 . 12 1 1 A 58 58 ASP N N 58 113.200 113.218 -0.018 1 1 703 . 12 1 1 A 59 59 GLY H H 59 7.530 7.624 -0.094 1 1 704 . 12 1 1 A 59 59 GLY HA2 H 59 3.700 3.921 -0.221 1 1 705 . 12 1 1 A 59 59 GLY HA3 H 59 3.820 3.922 -0.102 1 1 706 . 12 1 1 A 59 59 GLY C C 59 178.830 175.289 3.541 1 1 707 . 12 1 1 A 59 59 GLY CA C 59 47.450 46.962 0.488 1 1 708 . 12 1 1 A 59 59 GLY N N 59 108.180 109.283 -1.103 1 1 709 . 12 1 1 A 60 60 ASN H H 60 8.080 8.697 -0.617 1 1 710 . 12 1 1 A 60 60 ASN HA H 60 4.500 4.690 -0.190 1 1 715 . 12 1 1 A 60 60 ASN CA C 60 52.900 52.579 0.321 1 1 716 . 12 1 1 A 60 60 ASN CB C 60 37.900 37.903 -0.003 1 1 717 . 12 1 1 A 60 60 ASN N N 60 118.700 118.557 0.143 1 1 719 . 12 1 1 A 61 61 GLY H H 61 10.640 10.108 0.532 1 1 720 . 12 1 1 A 61 61 GLY HA2 H 61 3.370 3.888 -0.518 1 1 721 . 12 1 1 A 61 61 GLY HA3 H 61 4.190 3.890 0.300 1 1 722 . 12 1 1 A 61 61 GLY C C 61 174.970 173.445 1.525 1 1 723 . 12 1 1 A 61 61 GLY CA C 61 45.300 45.439 -0.139 1 1 724 . 12 1 1 A 61 61 GLY N N 61 113.400 111.841 1.559 1 1 725 . 12 1 1 A 62 62 THR H H 62 7.550 7.733 -0.183 1 1 726 . 12 1 1 A 62 62 THR HA H 62 4.620 4.944 -0.324 1 1 731 . 12 1 1 A 62 62 THR C C 62 176.870 172.642 4.228 1 1 732 . 12 1 1 A 62 62 THR CA C 62 59.550 59.723 -0.173 1 1 733 . 12 1 1 A 62 62 THR CB C 62 72.500 72.662 -0.162 1 1 735 . 12 1 1 A 62 62 THR N N 62 107.860 109.787 -1.927 1 1 736 . 12 1 1 A 63 63 ILE H H 63 8.790 8.464 0.326 1 1 737 . 12 1 1 A 63 63 ILE HA H 63 5.280 5.037 0.243 1 1 747 . 12 1 1 A 63 63 ILE C C 63 173.250 175.242 -1.992 1 1 748 . 12 1 1 A 63 63 ILE CA C 63 57.600 59.967 -2.367 1 1 749 . 12 1 1 A 63 63 ILE CB C 63 39.400 40.072 -0.672 1 1 753 . 12 1 1 A 63 63 ILE N N 63 123.900 121.357 2.543 1 1 754 . 12 1 1 A 64 64 ASP H H 64 8.720 8.689 0.031 1 1 755 . 12 1 1 A 64 64 ASP HA H 64 5.350 5.115 0.235 1 1 758 . 12 1 1 A 64 64 ASP C C 64 172.850 176.369 -3.519 1 1 759 . 12 1 1 A 64 64 ASP CA C 64 52.100 52.204 -0.104 1 1 760 . 12 1 1 A 64 64 ASP CB C 64 42.150 42.262 -0.112 1 1 761 . 12 1 1 A 64 64 ASP N N 64 127.860 127.944 -0.084 1 1 762 . 12 1 1 A 65 65 PHE H H 65 8.840 9.184 -0.344 1 1 763 . 12 1 1 A 65 65 PHE HA H 65 3.890 4.891 -1.001 1 1 771 . 12 1 1 A 65 65 PHE C C 65 175.750 174.728 1.022 1 1 772 . 12 1 1 A 65 65 PHE CA C 65 63.300 63.874 -0.574 1 1 773 . 12 1 1 A 65 65 PHE CB C 65 36.100 37.491 -1.391 1 1 779 . 12 1 1 A 65 65 PHE N N 65 117.500 119.442 -1.942 1 1 780 . 12 1 1 A 66 66 PRO HA H 66 3.770 4.392 -0.622 1 1 787 . 12 1 1 A 66 66 PRO C C 66 175.840 179.476 -3.636 1 1 788 . 12 1 1 A 66 66 PRO CA C 66 67.100 66.439 0.661 1 1 789 . 12 1 1 A 66 66 PRO CB C 66 30.700 30.996 -0.296 1 1 792 . 12 1 1 A 67 67 GLU H H 67 8.340 8.403 -0.063 1 1 793 . 12 1 1 A 67 67 GLU HA H 67 3.920 4.150 -0.230 1 1 798 . 12 1 1 A 67 67 GLU CA C 67 59.400 59.175 0.225 1 1 799 . 12 1 1 A 67 67 GLU CB C 67 29.650 29.142 0.508 1 1 801 . 12 1 1 A 67 67 GLU N N 67 117.850 117.962 -0.112 1 1 802 . 12 1 1 A 68 68 PHE H H 68 8.630 8.272 0.358 1 1 803 . 12 1 1 A 68 68 PHE HA H 68 3.670 4.161 -0.491 1 1 811 . 12 1 1 A 68 68 PHE C C 68 174.810 177.389 -2.579 1 1 812 . 12 1 1 A 68 68 PHE CA C 68 61.400 61.336 0.064 1 1 813 . 12 1 1 A 68 68 PHE CB C 68 40.700 39.283 1.417 1 1 819 . 12 1 1 A 68 68 PHE N N 68 123.200 123.389 -0.189 1 1 820 . 12 1 1 A 69 69 LEU H H 69 8.800 8.813 -0.013 1 1 821 . 12 1 1 A 69 69 LEU HA H 69 3.130 4.133 -1.003 1 1 831 . 12 1 1 A 69 69 LEU C C 69 179.310 179.131 0.179 1 1 832 . 12 1 1 A 69 69 LEU CA C 69 58.000 58.304 -0.304 1 1 833 . 12 1 1 A 69 69 LEU CB C 69 41.550 41.686 -0.136 1 1 837 . 12 1 1 A 69 69 LEU N N 69 119.930 120.161 -0.231 1 1 838 . 12 1 1 A 70 70 THR H H 70 7.550 7.714 -0.164 1 1 839 . 12 1 1 A 70 70 THR HA H 70 3.530 3.826 -0.296 1 1 844 . 12 1 1 A 70 70 THR C C 70 180.360 176.684 3.676 1 1 845 . 12 1 1 A 70 70 THR CA C 70 66.700 66.788 -0.088 1 1 846 . 12 1 1 A 70 70 THR CB C 70 68.500 68.246 0.254 1 1 848 . 12 1 1 A 70 70 THR N N 70 114.730 115.063 -0.333 1 1 849 . 12 1 1 A 71 71 MET H H 71 7.000 8.007 -1.007 1 1 850 . 12 1 1 A 71 71 MET HA H 71 3.640 4.130 -0.490 1 1 858 . 12 1 1 A 71 71 MET C C 71 176.750 178.364 -1.614 1 1 859 . 12 1 1 A 71 71 MET CA C 71 58.800 58.081 0.719 1 1 860 . 12 1 1 A 71 71 MET CB C 71 32.000 32.684 -0.684 1 1 863 . 12 1 1 A 71 71 MET N N 71 119.750 118.344 1.406 1 1 864 . 12 1 1 A 72 72 MET H H 72 7.810 7.983 -0.173 1 1 865 . 12 1 1 A 72 72 MET HA H 72 3.880 4.144 -0.264 1 1 873 . 12 1 1 A 72 72 MET C C 72 174.850 178.295 -3.445 1 1 874 . 12 1 1 A 72 72 MET CA C 72 55.100 59.045 -3.945 1 1 875 . 12 1 1 A 72 72 MET CB C 72 28.900 33.130 -4.230 1 1 878 . 12 1 1 A 72 72 MET N N 72 115.300 118.557 -3.257 1 1 879 . 12 1 1 A 73 73 ALA H H 73 7.880 8.317 -0.437 1 1 880 . 12 1 1 A 73 73 ALA HA H 73 3.990 4.018 -0.028 1 1 884 . 12 1 1 A 73 73 ALA C C 73 177.940 178.832 -0.892 1 1 885 . 12 1 1 A 73 73 ALA CA C 73 53.900 55.309 -1.409 1 1 886 . 12 1 1 A 73 73 ALA CB C 73 18.600 18.285 0.315 1 1 887 . 12 1 1 A 73 73 ALA N N 73 120.000 121.036 -1.036 1 1 888 . 12 1 1 A 74 74 ARG H H 74 7.050 7.195 -0.145 1 1 889 . 12 1 1 A 74 74 ARG HA H 74 4.040 4.350 -0.310 1 1 896 . 12 1 1 A 74 74 ARG C C 74 178.910 176.784 2.126 1 1 897 . 12 1 1 A 74 74 ARG CA C 74 57.400 56.382 1.018 1 1 898 . 12 1 1 A 74 74 ARG CB C 74 30.900 30.526 0.374 1 1 901 . 12 1 1 A 74 74 ARG N N 74 115.850 115.574 0.276 1 1 902 . 12 1 1 A 75 75 LYS H H 75 7.820 7.507 0.313 1 1 903 . 12 1 1 A 75 75 LYS HA H 75 4.200 4.313 -0.113 1 1 912 . 12 1 1 A 75 75 LYS C C 75 178.770 176.567 2.203 1 1 913 . 12 1 1 A 75 75 LYS CA C 75 55.900 55.061 0.839 1 1 914 . 12 1 1 A 75 75 LYS CB C 75 32.600 30.843 1.757 1 1 918 . 12 1 1 A 75 75 LYS N N 75 119.600 121.342 -1.742 1 1 919 . 12 1 1 A 76 76 MET H H 76 8.100 8.262 -0.162 1 1 920 . 12 1 1 A 76 76 MET HA H 76 4.300 4.831 -0.531 1 1 928 . 12 1 1 A 76 76 MET C C 76 176.990 175.883 1.107 1 1 929 . 12 1 1 A 76 76 MET CA C 76 55.800 53.948 1.852 1 1 930 . 12 1 1 A 76 76 MET CB C 76 33.800 32.944 0.856 1 1 933 . 12 1 1 A 76 76 MET N N 76 122.300 124.462 -2.162 1 1 934 . 12 1 1 A 77 77 LYS H H 77 8.150 7.595 0.555 1 1 935 . 12 1 1 A 77 77 LYS HA H 77 4.210 4.091 0.119 1 1 944 . 12 1 1 A 77 77 LYS C C 77 176.890 175.701 1.189 1 1 945 . 12 1 1 A 77 77 LYS CA C 77 56.100 56.811 -0.711 1 1 946 . 12 1 1 A 77 77 LYS CB C 77 33.000 32.797 0.203 1 1 950 . 12 1 1 A 77 77 LYS N N 77 121.300 122.364 -1.064 1 1 951 . 12 1 1 A 78 78 ASP H H 78 8.240 8.642 -0.402 1 1 952 . 12 1 1 A 78 78 ASP HA H 78 4.500 5.181 -0.681 1 1 955 . 12 1 1 A 78 78 ASP C C 78 176.090 174.945 1.145 1 1 956 . 12 1 1 A 78 78 ASP CA C 78 54.700 52.896 1.804 1 1 957 . 12 1 1 A 78 78 ASP CB C 78 41.300 41.794 -0.494 1 1 958 . 12 1 1 A 78 78 ASP N N 78 122.200 124.949 -2.749 1 1 959 . 12 1 1 A 79 79 THR H H 79 8.150 8.757 -0.607 1 1 960 . 12 1 1 A 79 79 THR HA H 79 4.220 4.548 -0.328 1 1 965 . 12 1 1 A 79 79 THR C C 79 176.240 173.843 2.397 1 1 966 . 12 1 1 A 79 79 THR CA C 79 61.500 62.791 -1.291 1 1 967 . 12 1 1 A 79 79 THR CB C 79 70.300 69.603 0.697 1 1 969 . 12 1 1 A 79 79 THR N N 79 114.940 120.051 -5.111 1 1 970 . 12 1 1 A 80 80 ASP H H 80 8.480 8.881 -0.401 1 1 971 . 12 1 1 A 80 80 ASP HA H 80 4.600 4.636 -0.036 1 1 974 . 12 1 1 A 80 80 ASP C C 80 176.230 176.667 -0.437 1 1 975 . 12 1 1 A 80 80 ASP CA C 80 54.100 54.657 -0.557 1 1 976 . 12 1 1 A 80 80 ASP CB C 80 41.600 40.666 0.934 1 1 977 . 12 1 1 A 80 80 ASP N N 80 123.800 127.725 -3.925 1 1 978 . 12 1 1 A 81 81 SER H H 81 8.500 8.947 -0.447 1 1 979 . 12 1 1 A 81 81 SER HA H 81 4.220 4.095 0.125 1 1 982 . 12 1 1 A 81 81 SER C C 81 173.900 176.609 -2.709 1 1 983 . 12 1 1 A 81 81 SER CA C 81 60.400 61.823 -1.423 1 1 984 . 12 1 1 A 81 81 SER CB C 81 63.700 62.709 0.991 1 1 985 . 12 1 1 A 81 81 SER N N 81 118.450 120.580 -2.130 1 1 986 . 12 1 1 A 82 82 GLU H H 82 8.430 8.053 0.377 1 1 987 . 12 1 1 A 82 82 GLU HA H 82 4.010 4.176 -0.166 1 1 992 . 12 1 1 A 82 82 GLU C C 82 176.370 179.344 -2.974 1 1 993 . 12 1 1 A 82 82 GLU CA C 82 59.100 59.281 -0.181 1 1 994 . 12 1 1 A 82 82 GLU CB C 82 29.600 29.134 0.466 1 1 996 . 12 1 1 A 82 82 GLU N N 82 121.850 121.045 0.805 1 1 997 . 12 1 1 A 83 83 GLU H H 83 8.020 8.865 -0.845 1 1 998 . 12 1 1 A 83 83 GLU HA H 83 4.040 4.030 0.010 1 1 1003 . 12 1 1 A 83 83 GLU C C 83 175.890 178.434 -2.544 1 1 1004 . 12 1 1 A 83 83 GLU CA C 83 58.800 59.508 -0.708 1 1 1005 . 12 1 1 A 83 83 GLU CB C 83 29.400 29.276 0.124 1 1 1007 . 12 1 1 A 83 83 GLU N N 83 119.470 119.767 -0.297 1 1 1008 . 12 1 1 A 84 84 GLU H H 84 7.930 8.178 -0.248 1 1 1009 . 12 1 1 A 84 84 GLU HA H 84 4.150 4.258 -0.108 1 1 1014 . 12 1 1 A 84 84 GLU C C 84 176.160 178.737 -2.577 1 1 1015 . 12 1 1 A 84 84 GLU CA C 84 59.400 57.956 1.444 1 1 1016 . 12 1 1 A 84 84 GLU CB C 84 29.600 30.018 -0.418 1 1 1018 . 12 1 1 A 84 84 GLU N N 84 118.310 117.101 1.209 1 1 1019 . 12 1 1 A 85 85 ILE H H 85 7.880 8.063 -0.183 1 1 1020 . 12 1 1 A 85 85 ILE HA H 85 3.880 3.706 0.174 1 1 1030 . 12 1 1 A 85 85 ILE C C 85 179.870 177.910 1.960 1 1 1031 . 12 1 1 A 85 85 ILE CA C 85 65.400 64.956 0.444 1 1 1032 . 12 1 1 A 85 85 ILE CB C 85 37.400 37.671 -0.271 1 1 1036 . 12 1 1 A 85 85 ILE N N 85 120.900 121.741 -0.841 1 1 1037 . 12 1 1 A 86 86 ARG H H 86 7.990 8.328 -0.338 1 1 1038 . 12 1 1 A 86 86 ARG HA H 86 4.030 4.146 -0.116 1 1 1045 . 12 1 1 A 86 86 ARG C C 86 180.520 178.614 1.906 1 1 1046 . 12 1 1 A 86 86 ARG CA C 86 60.200 59.144 1.056 1 1 1047 . 12 1 1 A 86 86 ARG CB C 86 29.800 30.206 -0.406 1 1 1050 . 12 1 1 A 86 86 ARG N N 86 121.000 120.688 0.312 1 1 1051 . 12 1 1 A 87 87 GLU H H 87 8.350 8.466 -0.116 1 1 1052 . 12 1 1 A 87 87 GLU HA H 87 3.900 4.072 -0.172 1 1 1057 . 12 1 1 A 87 87 GLU C C 87 177.380 179.514 -2.134 1 1 1058 . 12 1 1 A 87 87 GLU CA C 87 59.600 59.458 0.142 1 1 1059 . 12 1 1 A 87 87 GLU CB C 87 29.500 29.625 -0.125 1 1 1061 . 12 1 1 A 87 87 GLU N N 87 117.860 119.278 -1.418 1 1 1062 . 12 1 1 A 88 88 ALA H H 88 7.880 7.819 0.061 1 1 1063 . 12 1 1 A 88 88 ALA HA H 88 4.060 4.249 -0.189 1 1 1067 . 12 1 1 A 88 88 ALA C C 88 178.580 179.818 -1.238 1 1 1068 . 12 1 1 A 88 88 ALA CA C 88 55.200 54.668 0.532 1 1 1069 . 12 1 1 A 88 88 ALA CB C 88 17.900 18.411 -0.511 1 1 1070 . 12 1 1 A 88 88 ALA N N 88 120.100 122.481 -2.381 1 1 1071 . 12 1 1 A 89 89 PHE H H 89 8.550 7.832 0.718 1 1 1072 . 12 1 1 A 89 89 PHE HA H 89 4.000 3.771 0.229 1 1 1080 . 12 1 1 A 89 89 PHE C C 89 179.770 177.712 2.058 1 1 1081 . 12 1 1 A 89 89 PHE CA C 89 61.800 61.365 0.435 1 1 1082 . 12 1 1 A 89 89 PHE CB C 89 39.130 39.036 0.094 1 1 1088 . 12 1 1 A 89 89 PHE N N 89 118.760 119.521 -0.761 1 1 1089 . 12 1 1 A 90 90 ARG H H 90 7.750 7.803 -0.053 1 1 1090 . 12 1 1 A 90 90 ARG HA H 90 3.760 3.894 -0.134 1 1 1097 . 12 1 1 A 90 90 ARG C C 90 179.090 179.031 0.059 1 1 1098 . 12 1 1 A 90 90 ARG CA C 90 58.800 59.439 -0.639 1 1 1099 . 12 1 1 A 90 90 ARG CB C 90 30.500 30.085 0.415 1 1 1102 . 12 1 1 A 90 90 ARG N N 90 115.100 117.619 -2.519 1 1 1103 . 12 1 1 A 91 91 VAL H H 91 7.270 7.482 -0.212 1 1 1104 . 12 1 1 A 91 91 VAL HA H 91 3.360 3.541 -0.181 1 1 1112 . 12 1 1 A 91 91 VAL C C 91 179.060 178.008 1.052 1 1 1113 . 12 1 1 A 91 91 VAL CA C 91 66.050 66.340 -0.290 1 1 1114 . 12 1 1 A 91 91 VAL CB C 91 31.200 31.727 -0.527 1 1 1117 . 12 1 1 A 91 91 VAL N N 91 117.450 120.567 -3.117 1 1 1118 . 12 1 1 A 92 92 PHE H H 92 7.000 7.700 -0.700 1 1 1119 . 12 1 1 A 92 92 PHE HA H 92 4.070 4.118 -0.048 1 1 1127 . 12 1 1 A 92 92 PHE C C 92 177.490 176.399 1.091 1 1 1128 . 12 1 1 A 92 92 PHE CA C 92 60.700 59.733 0.967 1 1 1129 . 12 1 1 A 92 92 PHE CB C 92 38.000 39.397 -1.397 1 1 1135 . 12 1 1 A 92 92 PHE N N 92 114.400 118.481 -4.081 1 1 1136 . 12 1 1 A 93 93 ASP H H 93 7.870 8.122 -0.252 1 1 1137 . 12 1 1 A 93 93 ASP HA H 93 4.450 4.505 -0.055 1 1 1140 . 12 1 1 A 93 93 ASP C C 93 176.830 176.232 0.598 1 1 1141 . 12 1 1 A 93 93 ASP CA C 93 52.300 52.265 0.035 1 1 1142 . 12 1 1 A 93 93 ASP CB C 93 38.800 39.037 -0.237 1 1 1143 . 12 1 1 A 93 93 ASP N N 93 115.100 116.982 -1.882 1 1 1144 . 12 1 1 A 94 94 LYS H H 94 7.510 7.825 -0.315 1 1 1145 . 12 1 1 A 94 94 LYS HA H 94 3.770 3.757 0.013 1 1 1154 . 12 1 1 A 94 94 LYS C C 94 176.650 177.659 -1.009 1 1 1155 . 12 1 1 A 94 94 LYS CA C 94 59.400 59.916 -0.516 1 1 1156 . 12 1 1 A 94 94 LYS CB C 94 32.800 32.156 0.644 1 1 1160 . 12 1 1 A 94 94 LYS N N 94 124.250 126.561 -2.311 1 1 1161 . 12 1 1 A 95 95 ASP H H 95 8.190 7.618 0.572 1 1 1162 . 12 1 1 A 95 95 ASP HA H 95 4.430 4.593 -0.163 1 1 1165 . 12 1 1 A 95 95 ASP C C 95 177.580 177.604 -0.024 1 1 1166 . 12 1 1 A 95 95 ASP CA C 95 53.600 53.179 0.421 1 1 1167 . 12 1 1 A 95 95 ASP CB C 95 39.900 39.923 -0.023 1 1 1168 . 12 1 1 A 95 95 ASP N N 95 113.600 114.938 -1.338 1 1 1169 . 12 1 1 A 96 96 GLY H H 96 7.770 7.953 -0.183 1 1 1170 . 12 1 1 A 96 96 GLY HA2 H 96 3.750 3.890 -0.140 1 1 1171 . 12 1 1 A 96 96 GLY HA3 H 96 3.750 3.901 -0.151 1 1 1172 . 12 1 1 A 96 96 GLY C C 96 178.400 175.466 2.934 1 1 1173 . 12 1 1 A 96 96 GLY CA C 96 47.100 47.009 0.091 1 1 1174 . 12 1 1 A 96 96 GLY N N 96 108.900 109.090 -0.190 1 1 1175 . 12 1 1 A 97 97 ASN H H 97 8.270 7.990 0.280 1 1 1176 . 12 1 1 A 97 97 ASN HA H 97 4.520 4.758 -0.238 1 1 1181 . 12 1 1 A 97 97 ASN CA C 97 52.900 52.507 0.393 1 1 1182 . 12 1 1 A 97 97 ASN CB C 97 38.100 38.052 0.048 1 1 1183 . 12 1 1 A 97 97 ASN N N 97 119.460 118.866 0.594 1 1 1185 . 12 1 1 A 98 98 GLY H H 98 10.660 9.493 1.167 1 1 1186 . 12 1 1 A 98 98 GLY HA2 H 98 3.330 3.746 -0.416 1 1 1187 . 12 1 1 A 98 98 GLY HA3 H 98 3.960 3.843 0.117 1 1 1188 . 12 1 1 A 98 98 GLY C C 98 178.360 172.754 5.606 1 1 1189 . 12 1 1 A 98 98 GLY CA C 98 45.800 45.302 0.498 1 1 1190 . 12 1 1 A 98 98 GLY N N 98 112.700 111.780 0.920 1 1 1191 . 12 1 1 A 99 99 TYR H H 99 7.570 8.787 -1.217 1 1 1192 . 12 1 1 A 99 99 TYR HA H 99 4.850 5.392 -0.542 1 1 1199 . 12 1 1 A 99 99 TYR C C 99 176.090 174.924 1.166 1 1 1200 . 12 1 1 A 99 99 TYR CA C 99 56.250 56.142 0.108 1 1 1201 . 12 1 1 A 99 99 TYR CB C 99 42.700 43.084 -0.384 1 1 1206 . 12 1 1 A 99 99 TYR N N 99 115.850 117.286 -1.436 1 1 1207 . 12 1 1 A 100 100 ILE H H 100 10.120 9.155 0.965 1 1 1208 . 12 1 1 A 100 100 ILE HA H 100 4.600 4.796 -0.196 1 1 1218 . 12 1 1 A 100 100 ILE C C 100 172.730 175.732 -3.002 1 1 1219 . 12 1 1 A 100 100 ILE CA C 100 61.500 60.584 0.916 1 1 1220 . 12 1 1 A 100 100 ILE CB C 100 39.300 39.214 0.086 1 1 1224 . 12 1 1 A 100 100 ILE N N 100 127.260 124.326 2.934 1 1 1225 . 12 1 1 A 101 101 SER H H 101 9.010 8.905 0.105 1 1 1226 . 12 1 1 A 101 101 SER HA H 101 4.820 4.574 0.246 1 1 1229 . 12 1 1 A 101 101 SER C C 101 174.660 175.810 -1.150 1 1 1230 . 12 1 1 A 101 101 SER CA C 101 55.900 58.106 -2.206 1 1 1231 . 12 1 1 A 101 101 SER CB C 101 67.000 64.254 2.746 1 1 1232 . 12 1 1 A 101 101 SER N N 101 123.850 123.721 0.129 1 1 1233 . 12 1 1 A 102 102 ALA H H 102 9.240 9.012 0.228 1 1 1234 . 12 1 1 A 102 102 ALA HA H 102 3.830 4.075 -0.245 1 1 1238 . 12 1 1 A 102 102 ALA C C 102 175.840 179.829 -3.989 1 1 1239 . 12 1 1 A 102 102 ALA CA C 102 56.170 55.826 0.344 1 1 1240 . 12 1 1 A 102 102 ALA CB C 102 18.200 17.983 0.217 1 1 1241 . 12 1 1 A 102 102 ALA N N 102 122.650 126.773 -4.123 1 1 1242 . 12 1 1 A 103 103 ALA H H 103 8.180 8.136 0.044 1 1 1243 . 12 1 1 A 103 103 ALA HA H 103 3.980 3.982 -0.002 1 1 1247 . 12 1 1 A 103 103 ALA C C 103 175.260 180.300 -5.040 1 1 1248 . 12 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 12 1 1 A 103 103 ALA CB C 103 18.500 18.727 -0.227 1 1 1250 . 12 1 1 A 103 103 ALA N N 103 118.250 119.556 -1.306 1 1 1251 . 12 1 1 A 104 104 GLU H H 104 7.860 7.901 -0.041 1 1 1252 . 12 1 1 A 104 104 GLU HA H 104 3.890 3.916 -0.026 1 1 1257 . 12 1 1 A 104 104 GLU C C 104 179.350 179.029 0.321 1 1 1258 . 12 1 1 A 104 104 GLU CA C 104 59.800 59.456 0.344 1 1 1259 . 12 1 1 A 104 104 GLU CB C 104 29.500 29.506 -0.006 1 1 1261 . 12 1 1 A 104 104 GLU N N 104 120.200 118.059 2.141 1 1 1262 . 12 1 1 A 105 105 LEU H H 105 8.500 8.136 0.364 1 1 1263 . 12 1 1 A 105 105 LEU HA H 105 3.960 3.924 0.036 1 1 1273 . 12 1 1 A 105 105 LEU C C 105 179.190 178.490 0.700 1 1 1274 . 12 1 1 A 105 105 LEU CA C 105 58.400 57.912 0.488 1 1 1275 . 12 1 1 A 105 105 LEU CB C 105 42.600 41.769 0.831 1 1 1279 . 12 1 1 A 105 105 LEU N N 105 120.100 121.260 -1.160 1 1 1280 . 12 1 1 A 106 106 ARG H H 106 8.490 8.347 0.143 1 1 1281 . 12 1 1 A 106 106 ARG HA H 106 3.550 3.947 -0.397 1 1 1288 . 12 1 1 A 106 106 ARG C C 106 175.240 178.495 -3.255 1 1 1289 . 12 1 1 A 106 106 ARG CA C 106 60.300 59.240 1.060 1 1 1290 . 12 1 1 A 106 106 ARG CB C 106 30.400 29.859 0.541 1 1 1293 . 12 1 1 A 106 106 ARG N N 106 117.300 119.981 -2.681 1 1 1294 . 12 1 1 A 107 107 HIS H H 107 7.870 7.927 -0.057 1 1 1295 . 12 1 1 A 107 107 HIS HA H 107 4.120 4.129 -0.009 1 1 1300 . 12 1 1 A 107 107 HIS C C 107 176.690 176.811 -0.121 1 1 1301 . 12 1 1 A 107 107 HIS CA C 107 60.300 59.322 0.978 1 1 1302 . 12 1 1 A 107 107 HIS CB C 107 31.100 29.648 1.452 1 1 1304 . 12 1 1 A 107 107 HIS N N 107 120.000 119.691 0.309 1 1 1306 . 12 1 1 A 108 108 VAL H H 108 8.190 8.911 -0.721 1 1 1307 . 12 1 1 A 108 108 VAL HA H 108 3.400 3.503 -0.103 1 1 1315 . 12 1 1 A 108 108 VAL C C 108 178.430 177.541 0.889 1 1 1316 . 12 1 1 A 108 108 VAL CA C 108 66.500 64.828 1.672 1 1 1317 . 12 1 1 A 108 108 VAL CB C 108 31.800 30.964 0.836 1 1 1320 . 12 1 1 A 108 108 VAL N N 108 118.980 118.418 0.562 1 1 1321 . 12 1 1 A 109 109 MET H H 109 8.180 7.896 0.284 1 1 1322 . 12 1 1 A 109 109 MET HA H 109 4.220 4.044 0.176 1 1 1330 . 12 1 1 A 109 109 MET C C 109 179.690 178.707 0.983 1 1 1331 . 12 1 1 A 109 109 MET CA C 109 57.300 58.557 -1.257 1 1 1332 . 12 1 1 A 109 109 MET CB C 109 29.700 32.166 -2.466 1 1 1335 . 12 1 1 A 109 109 MET N N 109 114.980 120.449 -5.469 1 1 1336 . 12 1 1 A 110 110 THR H H 110 8.220 8.081 0.139 1 1 1337 . 12 1 1 A 110 110 THR HA H 110 4.000 3.715 0.285 1 1 1342 . 12 1 1 A 110 110 THR C C 110 176.410 176.324 0.086 1 1 1343 . 12 1 1 A 110 110 THR CA C 110 67.100 66.872 0.228 1 1 1344 . 12 1 1 A 110 110 THR CB C 110 68.500 68.439 0.061 1 1 1346 . 12 1 1 A 110 110 THR N N 110 116.970 114.537 2.433 1 1 1347 . 12 1 1 A 111 111 ASN H H 111 7.780 7.664 0.116 1 1 1348 . 12 1 1 A 111 111 ASN HA H 111 4.320 4.515 -0.195 1 1 1353 . 12 1 1 A 111 111 ASN CA C 111 55.800 56.174 -0.374 1 1 1354 . 12 1 1 A 111 111 ASN CB C 111 38.200 38.086 0.114 1 1 1355 . 12 1 1 A 111 111 ASN N N 111 122.350 119.131 3.219 1 1 1357 . 12 1 1 A 112 112 LEU H H 112 7.480 7.429 0.051 1 1 1358 . 12 1 1 A 112 112 LEU HA H 112 4.210 4.278 -0.068 1 1 1368 . 12 1 1 A 112 112 LEU C C 112 178.710 177.084 1.626 1 1 1369 . 12 1 1 A 112 112 LEU CA C 112 55.100 55.231 -0.131 1 1 1370 . 12 1 1 A 112 112 LEU CB C 112 42.500 42.586 -0.086 1 1 1374 . 12 1 1 A 112 112 LEU N N 112 118.300 117.083 1.217 1 1 1375 . 12 1 1 A 113 113 GLY H H 113 7.740 8.012 -0.272 1 1 1376 . 12 1 1 A 113 113 GLY HA2 H 113 3.580 3.915 -0.335 1 1 1377 . 12 1 1 A 113 113 GLY HA3 H 113 4.140 3.926 0.214 1 1 1378 . 12 1 1 A 113 113 GLY C C 113 176.830 174.892 1.938 1 1 1379 . 12 1 1 A 113 113 GLY CA C 113 45.370 46.514 -1.144 1 1 1380 . 12 1 1 A 113 113 GLY N N 113 106.500 108.329 -1.829 1 1 1381 . 12 1 1 A 114 114 GLU H H 114 7.780 8.103 -0.323 1 1 1382 . 12 1 1 A 114 114 GLU HA H 114 4.240 4.369 -0.129 1 1 1387 . 12 1 1 A 114 114 GLU C C 114 176.790 175.968 0.822 1 1 1388 . 12 1 1 A 114 114 GLU CA C 114 54.800 56.348 -1.548 1 1 1389 . 12 1 1 A 114 114 GLU CB C 114 29.900 30.388 -0.488 1 1 1391 . 12 1 1 A 114 114 GLU N N 114 119.300 118.811 0.489 1 1 1392 . 12 1 1 A 115 115 LYS H H 115 8.540 7.840 0.700 1 1 1393 . 12 1 1 A 115 115 LYS HA H 115 4.270 3.772 0.498 1 1 1402 . 12 1 1 A 115 115 LYS C C 115 174.300 175.669 -1.369 1 1 1403 . 12 1 1 A 115 115 LYS CA C 115 55.500 57.088 -1.588 1 1 1404 . 12 1 1 A 115 115 LYS CB C 115 31.900 30.220 1.680 1 1 1408 . 12 1 1 A 115 115 LYS N N 115 125.000 116.618 8.382 1 1 1409 . 12 1 1 A 116 116 LEU H H 116 8.000 7.948 0.052 1 1 1410 . 12 1 1 A 116 116 LEU HA H 116 4.630 4.343 0.287 1 1 1420 . 12 1 1 A 116 116 LEU C C 116 175.060 177.884 -2.824 1 1 1421 . 12 1 1 A 116 116 LEU CA C 116 54.100 54.765 -0.665 1 1 1422 . 12 1 1 A 116 116 LEU CB C 116 44.100 42.599 1.501 1 1 1426 . 12 1 1 A 116 116 LEU N N 116 123.620 120.218 3.402 1 1 1427 . 12 1 1 A 117 117 THR H H 117 9.140 8.368 0.772 1 1 1428 . 12 1 1 A 117 117 THR HA H 117 4.340 4.639 -0.299 1 1 1433 . 12 1 1 A 117 117 THR C C 117 175.610 175.278 0.332 1 1 1434 . 12 1 1 A 117 117 THR CA C 117 60.500 60.594 -0.094 1 1 1435 . 12 1 1 A 117 117 THR CB C 117 71.100 71.414 -0.314 1 1 1437 . 12 1 1 A 117 117 THR N N 117 114.240 114.982 -0.742 1 1 1438 . 12 1 1 A 118 118 ASP H H 118 8.820 8.920 -0.100 1 1 1439 . 12 1 1 A 118 118 ASP HA H 118 4.100 4.225 -0.125 1 1 1442 . 12 1 1 A 118 118 ASP C C 118 178.610 177.922 0.688 1 1 1443 . 12 1 1 A 118 118 ASP CA C 118 58.000 58.119 -0.119 1 1 1444 . 12 1 1 A 118 118 ASP CB C 118 39.700 41.252 -1.552 1 1 1445 . 12 1 1 A 118 118 ASP N N 118 120.660 121.843 -1.183 1 1 1446 . 12 1 1 A 119 119 GLU H H 119 8.450 8.108 0.342 1 1 1447 . 12 1 1 A 119 119 GLU HA H 119 3.960 4.014 -0.054 1 1 1452 . 12 1 1 A 119 119 GLU C C 119 175.620 179.235 -3.615 1 1 1453 . 12 1 1 A 119 119 GLU CA C 119 59.800 59.636 0.164 1 1 1454 . 12 1 1 A 119 119 GLU CB C 119 29.400 29.284 0.116 1 1 1456 . 12 1 1 A 119 119 GLU N N 119 118.790 118.141 0.649 1 1 1457 . 12 1 1 A 120 120 GLU H H 120 7.570 7.617 -0.047 1 1 1458 . 12 1 1 A 120 120 GLU HA H 120 3.950 4.171 -0.221 1 1 1463 . 12 1 1 A 120 120 GLU C C 120 178.630 179.049 -0.419 1 1 1464 . 12 1 1 A 120 120 GLU CA C 120 59.600 58.381 1.219 1 1 1465 . 12 1 1 A 120 120 GLU CB C 120 29.400 29.109 0.291 1 1 1467 . 12 1 1 A 120 120 GLU N N 120 120.120 118.934 1.186 1 1 1468 . 12 1 1 A 121 121 VAL H H 121 7.750 8.188 -0.438 1 1 1469 . 12 1 1 A 121 121 VAL HA H 121 3.240 3.546 -0.306 1 1 1477 . 12 1 1 A 121 121 VAL C C 121 179.110 177.546 1.564 1 1 1478 . 12 1 1 A 121 121 VAL CA C 121 67.300 66.315 0.985 1 1 1479 . 12 1 1 A 121 121 VAL CB C 121 31.550 31.575 -0.025 1 1 1482 . 12 1 1 A 121 121 VAL N N 121 119.400 121.284 -1.884 1 1 1483 . 12 1 1 A 122 122 ASP H H 122 7.840 8.134 -0.294 1 1 1484 . 12 1 1 A 122 122 ASP HA H 122 4.260 4.376 -0.116 1 1 1487 . 12 1 1 A 122 122 ASP C C 122 178.890 178.667 0.223 1 1 1488 . 12 1 1 A 122 122 ASP CA C 122 57.700 57.330 0.370 1 1 1489 . 12 1 1 A 122 122 ASP CB C 122 40.200 40.203 -0.003 1 1 1490 . 12 1 1 A 122 122 ASP N N 122 118.550 119.711 -1.161 1 1 1491 . 12 1 1 A 123 123 GLU H H 123 8.110 8.224 -0.114 1 1 1492 . 12 1 1 A 123 123 GLU HA H 123 3.880 4.068 -0.188 1 1 1497 . 12 1 1 A 123 123 GLU C C 123 177.710 178.927 -1.217 1 1 1498 . 12 1 1 A 123 123 GLU CA C 123 59.600 59.390 0.210 1 1 1499 . 12 1 1 A 123 123 GLU CB C 123 29.400 29.243 0.157 1 1 1501 . 12 1 1 A 123 123 GLU N N 123 119.670 119.801 -0.131 1 1 1502 . 12 1 1 A 124 124 MET H H 124 8.000 8.101 -0.101 1 1 1503 . 12 1 1 A 124 124 MET HA H 124 3.700 4.222 -0.522 1 1 1511 . 12 1 1 A 124 124 MET C C 124 179.020 178.944 0.076 1 1 1512 . 12 1 1 A 124 124 MET CA C 124 60.700 59.151 1.549 1 1 1513 . 12 1 1 A 124 124 MET CB C 124 33.200 32.968 0.232 1 1 1516 . 12 1 1 A 124 124 MET N N 124 118.100 118.774 -0.674 1 1 1517 . 12 1 1 A 125 125 ILE H H 125 8.220 7.776 0.444 1 1 1518 . 12 1 1 A 125 125 ILE HA H 125 3.610 3.631 -0.021 1 1 1528 . 12 1 1 A 125 125 ILE C C 125 179.410 177.939 1.471 1 1 1529 . 12 1 1 A 125 125 ILE CA C 125 64.200 65.019 -0.819 1 1 1530 . 12 1 1 A 125 125 ILE CB C 125 36.000 37.765 -1.765 1 1 1534 . 12 1 1 A 125 125 ILE N N 125 121.400 119.563 1.837 1 1 1535 . 12 1 1 A 126 126 ARG H H 126 8.510 7.934 0.576 1 1 1536 . 12 1 1 A 126 126 ARG HA H 126 3.930 3.909 0.021 1 1 1543 . 12 1 1 A 126 126 ARG C C 126 178.070 178.628 -0.558 1 1 1544 . 12 1 1 A 126 126 ARG CA C 126 59.500 59.722 -0.222 1 1 1545 . 12 1 1 A 126 126 ARG CB C 126 30.300 29.601 0.699 1 1 1548 . 12 1 1 A 126 126 ARG N N 126 117.650 120.154 -2.504 1 1 1549 . 12 1 1 A 127 127 GLU H H 127 7.820 8.232 -0.412 1 1 1550 . 12 1 1 A 127 127 GLU HA H 127 3.880 4.034 -0.154 1 1 1555 . 12 1 1 A 127 127 GLU C C 127 180.080 178.263 1.817 1 1 1556 . 12 1 1 A 127 127 GLU CA C 127 58.300 59.317 -1.017 1 1 1557 . 12 1 1 A 127 127 GLU CB C 127 29.800 29.453 0.347 1 1 1559 . 12 1 1 A 127 127 GLU N N 127 115.300 118.823 -3.523 1 1 1560 . 12 1 1 A 128 128 ALA H H 128 6.960 7.286 -0.326 1 1 1561 . 12 1 1 A 128 128 ALA HA H 128 4.340 4.339 0.001 1 1 1565 . 12 1 1 A 128 128 ALA C C 128 181.640 177.296 4.344 1 1 1566 . 12 1 1 A 128 128 ALA CA C 128 51.700 52.502 -0.802 1 1 1567 . 12 1 1 A 128 128 ALA CB C 128 22.400 20.086 2.314 1 1 1568 . 12 1 1 A 128 128 ALA N N 128 115.890 121.127 -5.237 1 1 1569 . 12 1 1 A 129 129 ASP H H 129 8.210 7.915 0.295 1 1 1570 . 12 1 1 A 129 129 ASP HA H 129 4.360 4.598 -0.238 1 1 1573 . 12 1 1 A 129 129 ASP C C 129 176.420 176.581 -0.161 1 1 1574 . 12 1 1 A 129 129 ASP CA C 129 54.300 53.968 0.332 1 1 1575 . 12 1 1 A 129 129 ASP CB C 129 40.400 40.623 -0.223 1 1 1576 . 12 1 1 A 129 129 ASP N N 129 117.100 117.876 -0.776 1 1 1577 . 12 1 1 A 130 130 ILE H H 130 8.250 9.151 -0.901 1 1 1578 . 12 1 1 A 130 130 ILE HA H 130 3.800 4.204 -0.404 1 1 1588 . 12 1 1 A 130 130 ILE C C 130 177.960 175.252 2.708 1 1 1589 . 12 1 1 A 130 130 ILE CA C 130 63.500 62.906 0.594 1 1 1590 . 12 1 1 A 130 130 ILE CB C 130 38.500 38.387 0.113 1 1 1594 . 12 1 1 A 130 130 ILE N N 130 127.900 126.918 0.982 1 1 1595 . 12 1 1 A 131 131 ASP H H 131 8.220 7.631 0.589 1 1 1596 . 12 1 1 A 131 131 ASP HA H 131 4.400 4.985 -0.585 1 1 1599 . 12 1 1 A 131 131 ASP C C 131 175.850 175.911 -0.061 1 1 1600 . 12 1 1 A 131 131 ASP CA C 131 53.800 52.317 1.483 1 1 1601 . 12 1 1 A 131 131 ASP CB C 131 39.900 43.873 -3.973 1 1 1602 . 12 1 1 A 131 131 ASP N N 131 116.250 118.110 -1.860 1 1 1603 . 12 1 1 A 132 132 GLY H H 132 7.520 9.066 -1.546 1 1 1604 . 12 1 1 A 132 132 GLY HA2 H 132 3.700 3.893 -0.193 1 1 1605 . 12 1 1 A 132 132 GLY HA3 H 132 3.900 3.897 0.003 1 1 1606 . 12 1 1 A 132 132 GLY C C 132 177.820 175.055 2.765 1 1 1607 . 12 1 1 A 132 132 GLY CA C 132 47.400 47.226 0.174 1 1 1608 . 12 1 1 A 132 132 GLY N N 132 108.170 107.923 0.247 1 1 1609 . 12 1 1 A 133 133 ASP H H 133 8.240 8.432 -0.192 1 1 1610 . 12 1 1 A 133 133 ASP HA H 133 4.360 4.550 -0.190 1 1 1613 . 12 1 1 A 133 133 ASP C C 133 178.290 177.567 0.723 1 1 1614 . 12 1 1 A 133 133 ASP CA C 133 53.800 53.490 0.310 1 1 1615 . 12 1 1 A 133 133 ASP CB C 133 40.300 40.316 -0.016 1 1 1616 . 12 1 1 A 133 133 ASP N N 133 120.370 120.090 0.280 1 1 1617 . 12 1 1 A 134 134 GLY H H 134 10.140 9.477 0.663 1 1 1618 . 12 1 1 A 134 134 GLY HA2 H 134 3.300 3.847 -0.547 1 1 1619 . 12 1 1 A 134 134 GLY HA3 H 134 3.930 3.856 0.074 1 1 1620 . 12 1 1 A 134 134 GLY C C 134 175.350 173.678 1.672 1 1 1621 . 12 1 1 A 134 134 GLY CA C 134 45.900 45.633 0.267 1 1 1622 . 12 1 1 A 134 134 GLY N N 134 112.150 111.330 0.820 1 1 1623 . 12 1 1 A 135 135 GLN H H 135 7.910 7.320 0.590 1 1 1624 . 12 1 1 A 135 135 GLN HA H 135 4.870 4.984 -0.114 1 1 1631 . 12 1 1 A 135 135 GLN C C 135 177.620 174.058 3.562 1 1 1632 . 12 1 1 A 135 135 GLN CA C 135 53.300 54.269 -0.969 1 1 1633 . 12 1 1 A 135 135 GLN CB C 135 33.000 32.348 0.652 1 1 1635 . 12 1 1 A 135 135 GLN N N 135 114.700 119.804 -5.104 1 1 1637 . 12 1 1 A 136 136 VAL H H 136 9.070 8.848 0.222 1 1 1638 . 12 1 1 A 136 136 VAL HA H 136 5.110 5.195 -0.085 1 1 1646 . 12 1 1 A 136 136 VAL C C 136 172.750 175.364 -2.614 1 1 1647 . 12 1 1 A 136 136 VAL CA C 136 61.800 61.706 0.094 1 1 1648 . 12 1 1 A 136 136 VAL CB C 136 34.100 33.073 1.027 1 1 1651 . 12 1 1 A 136 136 VAL N N 136 124.900 126.222 -1.322 1 1 1652 . 12 1 1 A 137 137 ASN H H 137 9.450 8.874 0.576 1 1 1653 . 12 1 1 A 137 137 ASN HA H 137 5.240 5.184 0.056 1 1 1658 . 12 1 1 A 137 137 ASN CA C 137 51.400 52.355 -0.955 1 1 1659 . 12 1 1 A 137 137 ASN CB C 137 40.000 40.305 -0.305 1 1 1660 . 12 1 1 A 137 137 ASN N N 137 128.840 126.460 2.380 1 1 1662 . 12 1 1 A 138 138 TYR H H 138 8.330 8.958 -0.628 1 1 1663 . 12 1 1 A 138 138 TYR HA H 138 3.240 4.308 -1.068 1 1 1670 . 12 1 1 A 138 138 TYR C C 138 180.030 177.187 2.843 1 1 1671 . 12 1 1 A 138 138 TYR CA C 138 62.400 62.312 0.088 1 1 1672 . 12 1 1 A 138 138 TYR CB C 138 38.000 38.462 -0.462 1 1 1677 . 12 1 1 A 138 138 TYR N N 138 118.150 126.094 -7.944 1 1 1678 . 12 1 1 A 139 139 GLU H H 139 7.990 8.212 -0.222 1 1 1679 . 12 1 1 A 139 139 GLU HA H 139 3.520 3.786 -0.266 1 1 1684 . 12 1 1 A 139 139 GLU C C 139 179.170 179.382 -0.212 1 1 1685 . 12 1 1 A 139 139 GLU CA C 139 60.550 60.325 0.225 1 1 1686 . 12 1 1 A 139 139 GLU CB C 139 29.100 29.625 -0.525 1 1 1688 . 12 1 1 A 139 139 GLU N N 139 118.100 117.857 0.243 1 1 1689 . 12 1 1 A 140 140 GLU H H 140 8.640 8.150 0.490 1 1 1690 . 12 1 1 A 140 140 GLU HA H 140 3.780 4.072 -0.292 1 1 1695 . 12 1 1 A 140 140 GLU C C 140 181.440 178.999 2.441 1 1 1696 . 12 1 1 A 140 140 GLU CA C 140 58.800 59.125 -0.325 1 1 1697 . 12 1 1 A 140 140 GLU CB C 140 29.200 29.659 -0.459 1 1 1699 . 12 1 1 A 140 140 GLU N N 140 119.300 120.354 -1.054 1 1 1700 . 12 1 1 A 141 141 PHE H H 141 8.470 8.055 0.415 1 1 1701 . 12 1 1 A 141 141 PHE HA H 141 3.380 3.926 -0.546 1 1 1709 . 12 1 1 A 141 141 PHE C C 141 178.980 176.812 2.168 1 1 1710 . 12 1 1 A 141 141 PHE CA C 141 61.900 61.327 0.573 1 1 1711 . 12 1 1 A 141 141 PHE CB C 141 40.200 39.251 0.949 1 1 1717 . 12 1 1 A 141 141 PHE N N 141 123.640 121.714 1.926 1 1 1718 . 12 1 1 A 142 142 VAL H H 142 8.510 8.160 0.350 1 1 1719 . 12 1 1 A 142 142 VAL HA H 142 3.000 3.323 -0.323 1 1 1727 . 12 1 1 A 142 142 VAL C C 142 176.540 177.633 -1.093 1 1 1728 . 12 1 1 A 142 142 VAL CA C 142 66.900 66.344 0.556 1 1 1729 . 12 1 1 A 142 142 VAL CB C 142 31.450 31.206 0.244 1 1 1732 . 12 1 1 A 142 142 VAL N N 142 118.330 118.907 -0.577 1 1 1733 . 12 1 1 A 143 143 GLN H H 143 7.520 8.102 -0.582 1 1 1734 . 12 1 1 A 143 143 GLN HA H 143 3.750 3.872 -0.122 1 1 1741 . 12 1 1 A 143 143 GLN C C 143 176.630 178.165 -1.535 1 1 1742 . 12 1 1 A 143 143 GLN CA C 143 58.900 59.156 -0.256 1 1 1743 . 12 1 1 A 143 143 GLN CB C 143 28.200 28.100 0.100 1 1 1745 . 12 1 1 A 143 143 GLN N N 143 118.100 119.426 -1.326 1 1 1747 . 12 1 1 A 144 144 MET H H 144 7.250 7.819 -0.569 1 1 1748 . 12 1 1 A 144 144 MET HA H 144 4.090 4.210 -0.120 1 1 1756 . 12 1 1 A 144 144 MET C C 144 179.340 178.619 0.721 1 1 1757 . 12 1 1 A 144 144 MET CA C 144 56.750 57.713 -0.963 1 1 1758 . 12 1 1 A 144 144 MET CB C 144 30.800 32.543 -1.743 1 1 1761 . 12 1 1 A 144 144 MET N N 144 117.300 117.858 -0.558 1 1 1762 . 12 1 1 A 145 145 MET H H 145 7.460 7.839 -0.379 1 1 1763 . 12 1 1 A 145 145 MET HA H 145 3.900 3.971 -0.071 1 1 1771 . 12 1 1 A 145 145 MET C C 145 178.110 177.407 0.703 1 1 1772 . 12 1 1 A 145 145 MET CA C 145 56.800 58.086 -1.286 1 1 1773 . 12 1 1 A 145 145 MET CB C 145 31.800 33.415 -1.615 1 1 1776 . 12 1 1 A 145 145 MET N N 145 114.350 118.704 -4.354 1 1 1777 . 12 1 1 A 146 146 THR H H 146 7.560 8.086 -0.526 1 1 1778 . 12 1 1 A 146 146 THR HA H 146 4.220 4.349 -0.129 1 1 1783 . 12 1 1 A 146 146 THR C C 146 177.440 175.325 2.115 1 1 1784 . 12 1 1 A 146 146 THR CA C 146 62.650 61.373 1.277 1 1 1785 . 12 1 1 A 146 146 THR CB C 146 69.700 69.094 0.606 1 1 1787 . 12 1 1 A 146 146 THR N N 146 109.350 109.074 0.276 1 1 1788 . 12 1 1 A 147 147 ALA H H 147 7.420 7.837 -0.417 1 1 1789 . 12 1 1 A 147 147 ALA HA H 147 4.170 3.916 0.254 1 1 1793 . 12 1 1 A 147 147 ALA C C 147 177.480 179.575 -2.095 1 1 1794 . 12 1 1 A 147 147 ALA CA C 147 52.900 55.697 -2.797 1 1 1795 . 12 1 1 A 147 147 ALA CB C 147 19.200 18.898 0.302 1 1 1796 . 12 1 1 A 147 147 ALA N N 147 125.650 125.520 0.130 1 1 1814 . 12 2 2 B 1 1 ARG H H 1088 8.270 8.026 0.244 1 1 1815 . 12 2 2 B 1 1 ARG HA H 1088 3.860 4.145 -0.285 1 1 1822 . 12 2 2 B 1 1 ARG CA C 1088 59.900 58.327 1.573 1 1 1823 . 12 2 2 B 1 1 ARG CB C 1088 29.900 30.324 -0.424 1 1 1826 . 12 2 2 B 1 1 ARG N N 1088 117.300 120.139 -2.839 1 1 1827 . 12 2 2 B 2 2 GLY H H 1089 9.370 8.344 1.026 1 1 1828 . 12 2 2 B 2 2 GLY HA2 H 1089 3.520 4.011 -0.491 1 1 1829 . 12 2 2 B 2 2 GLY HA3 H 1089 3.730 4.023 -0.293 1 1 1830 . 12 2 2 B 2 2 GLY C C 1089 176.650 175.659 0.991 1 1 1831 . 12 2 2 B 2 2 GLY CA C 1089 47.200 46.364 0.836 1 1 1832 . 12 2 2 B 2 2 GLY N N 1089 105.000 107.379 -2.379 1 1 1833 . 12 2 2 B 3 3 GLN H H 1090 6.980 7.858 -0.878 1 1 1834 . 12 2 2 B 3 3 GLN HA H 1090 3.830 4.096 -0.266 1 1 1841 . 12 2 2 B 3 3 GLN C C 1090 177.680 178.707 -1.027 1 1 1842 . 12 2 2 B 3 3 GLN CA C 1090 59.100 58.686 0.414 1 1 1843 . 12 2 2 B 3 3 GLN CB C 1090 29.800 28.294 1.506 1 1 1845 . 12 2 2 B 3 3 GLN N N 1090 117.350 119.207 -1.857 1 1 1847 . 12 2 2 B 4 4 ILE H H 1091 7.760 7.670 0.090 1 1 1848 . 12 2 2 B 4 4 ILE HA H 1091 3.480 3.713 -0.233 1 1 1858 . 12 2 2 B 4 4 ILE C C 1091 175.070 178.264 -3.194 1 1 1859 . 12 2 2 B 4 4 ILE CA C 1091 65.600 65.837 -0.237 1 1 1860 . 12 2 2 B 4 4 ILE CB C 1091 38.000 38.128 -0.128 1 1 1864 . 12 2 2 B 4 4 ILE N N 1091 119.650 120.981 -1.331 1 1 1865 . 12 2 2 B 5 5 LEU H H 1092 7.830 8.343 -0.513 1 1 1866 . 12 2 2 B 5 5 LEU HA H 1092 3.820 3.914 -0.094 1 1 1876 . 12 2 2 B 5 5 LEU C C 1092 176.220 179.002 -2.782 1 1 1877 . 12 2 2 B 5 5 LEU CA C 1092 58.250 58.374 -0.124 1 1 1878 . 12 2 2 B 5 5 LEU CB C 1092 41.700 42.042 -0.342 1 1 1882 . 12 2 2 B 5 5 LEU N N 1092 119.200 118.786 0.414 1 1 1883 . 12 2 2 B 6 6 TRP H H 1093 7.650 8.311 -0.661 1 1 1884 . 12 2 2 B 6 6 TRP HA H 1093 4.120 4.349 -0.229 1 1 1893 . 12 2 2 B 6 6 TRP C C 1093 178.490 179.266 -0.776 1 1 1894 . 12 2 2 B 6 6 TRP CA C 1093 61.100 60.544 0.556 1 1 1895 . 12 2 2 B 6 6 TRP CB C 1093 30.000 29.448 0.552 1 1 1901 . 12 2 2 B 6 6 TRP N N 1093 119.200 118.536 0.664 1 1 1903 . 12 2 2 B 7 7 PHE H H 1094 8.400 8.239 0.161 1 1 1904 . 12 2 2 B 7 7 PHE HA H 1094 4.390 4.219 0.171 1 1 1912 . 12 2 2 B 7 7 PHE C C 1094 178.840 177.374 1.466 1 1 1913 . 12 2 2 B 7 7 PHE CA C 1094 59.700 61.326 -1.626 1 1 1914 . 12 2 2 B 7 7 PHE CB C 1094 37.000 39.129 -2.129 1 1 1919 . 12 2 2 B 7 7 PHE N N 1094 117.800 119.929 -2.129 1 1 1920 . 12 2 2 B 8 8 ARG H H 1095 8.360 8.032 0.328 1 1 1921 . 12 2 2 B 8 8 ARG HA H 1095 4.140 4.021 0.119 1 1 1928 . 12 2 2 B 8 8 ARG C C 1095 178.290 178.998 -0.708 1 1 1929 . 12 2 2 B 8 8 ARG CA C 1095 59.600 59.706 -0.106 1 1 1930 . 12 2 2 B 8 8 ARG CB C 1095 30.500 30.172 0.328 1 1 1933 . 12 2 2 B 8 8 ARG N N 1095 120.800 117.893 2.907 1 1 1934 . 12 2 2 B 9 9 GLY H H 1096 8.330 8.259 0.071 1 1 1935 . 12 2 2 B 9 9 GLY HA2 H 1096 3.560 3.584 -0.024 1 1 1936 . 12 2 2 B 9 9 GLY HA3 H 1096 3.720 3.600 0.120 1 1 1937 . 12 2 2 B 9 9 GLY C C 1096 178.010 175.502 2.508 1 1 1938 . 12 2 2 B 9 9 GLY CA C 1096 47.200 47.282 -0.082 1 1 1939 . 12 2 2 B 9 9 GLY N N 1096 106.400 107.262 -0.862 1 1 1940 . 12 2 2 B 10 10 LEU H H 1097 9.090 8.032 1.058 1 1 1941 . 12 2 2 B 10 10 LEU HA H 1097 4.150 3.929 0.221 1 1 1951 . 12 2 2 B 10 10 LEU C C 1097 178.820 178.349 0.471 1 1 1952 . 12 2 2 B 10 10 LEU CA C 1097 58.500 57.164 1.336 1 1 1953 . 12 2 2 B 10 10 LEU CB C 1097 41.600 41.000 0.600 1 1 1957 . 12 2 2 B 10 10 LEU N N 1097 120.900 122.594 -1.694 1 1 1958 . 12 2 2 B 11 11 ASN H H 1098 8.380 7.804 0.576 1 1 1959 . 12 2 2 B 11 11 ASN HA H 1098 4.440 4.145 0.295 1 1 1964 . 12 2 2 B 11 11 ASN CA C 1098 56.700 56.802 -0.102 1 1 1965 . 12 2 2 B 11 11 ASN CB C 1098 38.700 39.534 -0.834 1 1 1966 . 12 2 2 B 11 11 ASN N N 1098 116.900 117.019 -0.119 1 1 1968 . 12 2 2 B 12 12 ARG H H 1099 7.900 7.500 0.400 1 1 1969 . 12 2 2 B 12 12 ARG HA H 1099 3.980 4.059 -0.079 1 1 1976 . 12 2 2 B 12 12 ARG C C 1099 178.360 178.234 0.126 1 1 1977 . 12 2 2 B 12 12 ARG CA C 1099 60.200 59.075 1.125 1 1 1978 . 12 2 2 B 12 12 ARG CB C 1099 32.600 29.968 2.632 1 1 1981 . 12 2 2 B 12 12 ARG N N 1099 120.100 118.443 1.657 1 1 1982 . 12 2 2 B 13 13 ILE H H 1100 8.230 7.966 0.264 1 1 1983 . 12 2 2 B 13 13 ILE HA H 1100 3.840 3.624 0.216 1 1 1993 . 12 2 2 B 13 13 ILE C C 1100 178.110 177.898 0.212 1 1 1994 . 12 2 2 B 13 13 ILE CA C 1100 63.800 65.406 -1.606 1 1 1995 . 12 2 2 B 13 13 ILE CB C 1100 37.300 37.508 -0.208 1 1 1999 . 12 2 2 B 13 13 ILE N N 1100 120.350 120.913 -0.563 1 1 2000 . 12 2 2 B 14 14 GLN H H 1101 8.830 7.747 1.083 1 1 2001 . 12 2 2 B 14 14 GLN HA H 1101 3.990 3.948 0.042 1 1 2008 . 12 2 2 B 14 14 GLN C C 1101 177.860 178.794 -0.934 1 1 2009 . 12 2 2 B 14 14 GLN CA C 1101 60.000 59.080 0.920 1 1 2010 . 12 2 2 B 14 14 GLN CB C 1101 28.800 28.438 0.362 1 1 2012 . 12 2 2 B 14 14 GLN N N 1101 118.700 117.984 0.716 1 1 2014 . 12 2 2 B 15 15 THR H H 1102 8.140 7.638 0.502 1 1 2015 . 12 2 2 B 15 15 THR HA H 1102 3.890 3.787 0.103 1 1 2020 . 12 2 2 B 15 15 THR C C 1102 177.470 176.610 0.860 1 1 2021 . 12 2 2 B 15 15 THR CA C 1102 67.400 67.611 -0.211 1 1 2022 . 12 2 2 B 15 15 THR CB C 1102 70.300 68.398 1.902 1 1 2024 . 12 2 2 B 15 15 THR N N 1102 117.500 117.782 -0.282 1 1 2025 . 12 2 2 B 16 16 GLN H H 1103 8.320 8.356 -0.036 1 1 2026 . 12 2 2 B 16 16 GLN HA H 1103 4.100 3.927 0.173 1 1 2033 . 12 2 2 B 16 16 GLN C C 1103 178.890 178.489 0.401 1 1 2034 . 12 2 2 B 16 16 GLN CA C 1103 60.600 59.331 1.269 1 1 2035 . 12 2 2 B 16 16 GLN CB C 1103 30.500 28.380 2.120 1 1 2037 . 12 2 2 B 16 16 GLN N N 1103 120.650 119.129 1.521 1 1 2039 . 12 2 2 B 17 17 ILE H H 1104 8.690 7.319 1.371 1 1 2040 . 12 2 2 B 17 17 ILE HA H 1104 3.470 3.972 -0.502 1 1 2050 . 12 2 2 B 17 17 ILE C C 1104 175.230 177.343 -2.113 1 1 2051 . 12 2 2 B 17 17 ILE CA C 1104 66.150 62.013 4.137 1 1 2052 . 12 2 2 B 17 17 ILE CB C 1104 38.300 38.026 0.274 1 1 2056 . 12 2 2 B 17 17 ILE N N 1104 119.400 119.903 -0.503 1 1 2057 . 12 2 2 B 18 18 LYS H H 1105 7.950 8.850 -0.900 1 1 2058 . 12 2 2 B 18 18 LYS HA H 1105 3.900 4.059 -0.159 1 1 2067 . 12 2 2 B 18 18 LYS C C 1105 177.660 179.357 -1.697 1 1 2068 . 12 2 2 B 18 18 LYS CA C 1105 60.050 59.620 0.430 1 1 2069 . 12 2 2 B 18 18 LYS CB C 1105 32.700 32.548 0.152 1 1 2073 . 12 2 2 B 18 18 LYS N N 1105 120.280 122.605 -2.325 1 1 2074 . 12 2 2 B 19 19 VAL H H 1106 8.280 7.491 0.789 1 1 2075 . 12 2 2 B 19 19 VAL HA H 1106 3.430 3.819 -0.389 1 1 2083 . 12 2 2 B 19 19 VAL C C 1106 177.660 178.352 -0.692 1 1 2084 . 12 2 2 B 19 19 VAL CA C 1106 65.900 66.602 -0.702 1 1 2085 . 12 2 2 B 19 19 VAL CB C 1106 31.400 31.720 -0.320 1 1 2088 . 12 2 2 B 19 19 VAL N N 1106 120.660 120.377 0.283 1 1 2089 . 12 2 2 B 20 20 VAL H H 1107 8.420 8.013 0.407 1 1 2090 . 12 2 2 B 20 20 VAL HA H 1107 3.580 3.896 -0.316 1 1 2098 . 12 2 2 B 20 20 VAL C C 1107 178.930 178.299 0.631 1 1 2099 . 12 2 2 B 20 20 VAL CA C 1107 68.390 65.945 2.445 1 1 2100 . 12 2 2 B 20 20 VAL CB C 1107 31.200 31.438 -0.238 1 1 2103 . 12 2 2 B 20 20 VAL N N 1107 119.990 116.462 3.528 1 1 2104 . 12 2 2 B 21 21 LYS H H 1108 8.300 8.138 0.162 1 1 2105 . 12 2 2 B 21 21 LYS HA H 1108 4.050 4.055 -0.005 1 1 2114 . 12 2 2 B 21 21 LYS C C 1108 177.230 178.948 -1.718 1 1 2115 . 12 2 2 B 21 21 LYS CA C 1108 59.980 59.758 0.222 1 1 2116 . 12 2 2 B 21 21 LYS CB C 1108 32.400 32.229 0.171 1 1 2120 . 12 2 2 B 21 21 LYS N N 1108 119.290 122.121 -2.831 1 1 2121 . 12 2 2 B 22 22 ALA H H 1109 7.690 8.084 -0.394 1 1 2122 . 12 2 2 B 22 22 ALA HA H 1109 3.900 4.196 -0.296 1 1 2126 . 12 2 2 B 22 22 ALA C C 1109 178.200 179.690 -1.490 1 1 2127 . 12 2 2 B 22 22 ALA CA C 1109 54.950 55.254 -0.304 1 1 2128 . 12 2 2 B 22 22 ALA CB C 1109 22.000 18.751 3.249 1 1 2129 . 12 2 2 B 22 22 ALA N N 1109 123.910 122.113 1.797 1 1 2130 . 12 2 2 B 23 23 PHE H H 1110 7.920 8.287 -0.367 1 1 2131 . 12 2 2 B 23 23 PHE HA H 1110 4.120 4.295 -0.175 1 1 2139 . 12 2 2 B 23 23 PHE C C 1110 178.840 178.487 0.353 1 1 2140 . 12 2 2 B 23 23 PHE CA C 1110 61.260 60.618 0.642 1 1 2141 . 12 2 2 B 23 23 PHE CB C 1110 40.200 38.888 1.312 1 1 2147 . 12 2 2 B 23 23 PHE N N 1110 118.200 115.686 2.514 1 1 2148 . 12 2 2 B 24 24 HIS H H 1111 7.960 8.054 -0.094 1 1 2149 . 12 2 2 B 24 24 HIS HA H 1111 4.530 4.321 0.209 1 1 2155 . 12 2 2 B 24 24 HIS C C 1111 178.710 175.104 3.606 1 1 2156 . 12 2 2 B 24 24 HIS CA C 1111 57.200 60.288 -3.088 1 1 2157 . 12 2 2 B 24 24 HIS CB C 1111 30.200 30.241 -0.041 1 1 2160 . 12 2 2 B 24 24 HIS N N 1111 117.760 119.404 -1.644 1 1 2162 . 12 2 2 B 25 25 SER H H 1112 7.980 8.493 -0.513 1 1 2163 . 12 2 2 B 25 25 SER HA H 1112 4.340 3.979 0.361 1 1 2166 . 12 2 2 B 25 25 SER C C 1112 177.230 173.556 3.674 1 1 2167 . 12 2 2 B 25 25 SER CA C 1112 58.570 59.328 -0.758 1 1 2168 . 12 2 2 B 25 25 SER CB C 1112 63.800 61.836 1.964 1 1 2169 . 12 2 2 B 25 25 SER N N 1112 116.970 114.435 2.535 1 1 9 . 13 1 1 A 2 2 ASP H H 2 8.220 8.571 -0.351 1 1 10 . 13 1 1 A 2 2 ASP HA H 2 4.500 4.683 -0.183 1 1 13 . 13 1 1 A 2 2 ASP CA C 2 54.750 53.754 0.996 1 1 14 . 13 1 1 A 2 2 ASP CB C 2 41.350 41.071 0.279 1 1 15 . 13 1 1 A 2 2 ASP N N 2 121.760 119.359 2.401 1 1 16 . 13 1 1 A 3 3 GLN H H 3 8.320 8.227 0.093 1 1 17 . 13 1 1 A 3 3 GLN HA H 3 4.240 3.898 0.342 1 1 24 . 13 1 1 A 3 3 GLN CA C 3 55.750 57.072 -1.322 1 1 25 . 13 1 1 A 3 3 GLN CB C 3 29.700 26.166 3.534 1 1 27 . 13 1 1 A 3 3 GLN N N 3 119.800 114.700 5.100 1 1 29 . 13 1 1 A 4 4 LEU H H 4 8.250 7.705 0.545 1 1 30 . 13 1 1 A 4 4 LEU HA H 4 4.540 4.477 0.063 1 1 40 . 13 1 1 A 4 4 LEU C C 4 175.740 176.385 -0.645 1 1 41 . 13 1 1 A 4 4 LEU CA C 4 54.600 56.316 -1.716 1 1 42 . 13 1 1 A 4 4 LEU CB C 4 43.600 44.042 -0.442 1 1 46 . 13 1 1 A 4 4 LEU N N 4 123.100 119.700 3.400 1 1 47 . 13 1 1 A 5 5 THR H H 5 8.680 7.626 1.054 1 1 48 . 13 1 1 A 5 5 THR HA H 5 4.350 4.306 0.044 1 1 53 . 13 1 1 A 5 5 THR C C 5 175.750 175.161 0.589 1 1 54 . 13 1 1 A 5 5 THR CA C 5 60.500 61.306 -0.806 1 1 55 . 13 1 1 A 5 5 THR CB C 5 71.100 70.120 0.980 1 1 57 . 13 1 1 A 5 5 THR N N 5 112.700 110.055 2.645 1 1 58 . 13 1 1 A 6 6 GLU H H 6 8.950 8.987 -0.037 1 1 59 . 13 1 1 A 6 6 GLU HA H 6 3.880 3.900 -0.020 1 1 64 . 13 1 1 A 6 6 GLU C C 6 177.790 178.494 -0.704 1 1 65 . 13 1 1 A 6 6 GLU CA C 6 60.200 60.196 0.004 1 1 66 . 13 1 1 A 6 6 GLU CB C 6 29.300 29.588 -0.288 1 1 68 . 13 1 1 A 6 6 GLU N N 6 119.950 123.084 -3.134 1 1 69 . 13 1 1 A 7 7 GLU H H 7 8.660 8.125 0.535 1 1 70 . 13 1 1 A 7 7 GLU HA H 7 3.940 3.997 -0.057 1 1 75 . 13 1 1 A 7 7 GLU C C 7 175.460 179.139 -3.679 1 1 76 . 13 1 1 A 7 7 GLU CA C 7 60.200 59.796 0.404 1 1 77 . 13 1 1 A 7 7 GLU CB C 7 29.100 29.328 -0.228 1 1 79 . 13 1 1 A 7 7 GLU N N 7 119.250 119.090 0.160 1 1 80 . 13 1 1 A 8 8 GLN H H 8 7.670 7.655 0.015 1 1 81 . 13 1 1 A 8 8 GLN HA H 8 3.760 4.246 -0.486 1 1 88 . 13 1 1 A 8 8 GLN C C 8 179.600 178.662 0.938 1 1 89 . 13 1 1 A 8 8 GLN CA C 8 58.800 58.542 0.258 1 1 90 . 13 1 1 A 8 8 GLN CB C 8 29.300 28.303 0.997 1 1 92 . 13 1 1 A 8 8 GLN N N 8 120.000 119.162 0.838 1 1 94 . 13 1 1 A 9 9 ILE H H 9 8.280 8.732 -0.452 1 1 95 . 13 1 1 A 9 9 ILE HA H 9 3.580 3.732 -0.152 1 1 105 . 13 1 1 A 9 9 ILE C C 9 179.270 177.836 1.434 1 1 106 . 13 1 1 A 9 9 ILE CA C 9 66.400 65.615 0.785 1 1 107 . 13 1 1 A 9 9 ILE CB C 9 38.100 37.969 0.131 1 1 111 . 13 1 1 A 9 9 ILE N N 9 119.400 120.035 -0.635 1 1 112 . 13 1 1 A 10 10 ALA H H 10 7.950 8.214 -0.264 1 1 113 . 13 1 1 A 10 10 ALA HA H 10 4.020 4.020 0.000 1 1 117 . 13 1 1 A 10 10 ALA C C 10 178.490 179.514 -1.024 1 1 118 . 13 1 1 A 10 10 ALA CA C 10 55.400 55.855 -0.455 1 1 119 . 13 1 1 A 10 10 ALA CB C 10 17.950 18.274 -0.324 1 1 120 . 13 1 1 A 10 10 ALA N N 10 121.000 122.250 -1.250 1 1 121 . 13 1 1 A 11 11 GLU H H 11 7.730 8.000 -0.270 1 1 122 . 13 1 1 A 11 11 GLU HA H 11 4.030 4.095 -0.065 1 1 127 . 13 1 1 A 11 11 GLU C C 11 177.860 179.329 -1.469 1 1 128 . 13 1 1 A 11 11 GLU CA C 11 59.500 59.458 0.042 1 1 129 . 13 1 1 A 11 11 GLU CB C 11 29.500 29.623 -0.123 1 1 131 . 13 1 1 A 11 11 GLU N N 11 119.700 118.861 0.839 1 1 132 . 13 1 1 A 12 12 PHE H H 12 8.470 8.426 0.044 1 1 133 . 13 1 1 A 12 12 PHE HA H 12 4.910 4.286 0.624 1 1 141 . 13 1 1 A 12 12 PHE C C 12 181.140 178.187 2.953 1 1 142 . 13 1 1 A 12 12 PHE CA C 12 59.200 61.507 -2.307 1 1 143 . 13 1 1 A 12 12 PHE CB C 12 37.700 38.648 -0.948 1 1 149 . 13 1 1 A 12 12 PHE N N 12 119.900 119.593 0.307 1 1 150 . 13 1 1 A 13 13 LYS H H 13 9.180 8.642 0.538 1 1 151 . 13 1 1 A 13 13 LYS HA H 13 3.860 3.842 0.018 1 1 160 . 13 1 1 A 13 13 LYS C C 13 180.730 178.393 2.337 1 1 161 . 13 1 1 A 13 13 LYS CA C 13 60.300 59.949 0.351 1 1 162 . 13 1 1 A 13 13 LYS CB C 13 31.900 32.460 -0.560 1 1 166 . 13 1 1 A 13 13 LYS N N 13 124.000 120.487 3.513 1 1 167 . 13 1 1 A 14 14 GLU H H 14 7.770 8.074 -0.304 1 1 168 . 13 1 1 A 14 14 GLU HA H 14 4.050 4.033 0.017 1 1 173 . 13 1 1 A 14 14 GLU C C 14 178.750 179.139 -0.389 1 1 174 . 13 1 1 A 14 14 GLU CA C 14 59.300 59.482 -0.182 1 1 175 . 13 1 1 A 14 14 GLU CB C 14 29.300 29.189 0.111 1 1 177 . 13 1 1 A 14 14 GLU N N 14 120.060 118.304 1.756 1 1 178 . 13 1 1 A 15 15 ALA H H 15 8.020 7.515 0.505 1 1 179 . 13 1 1 A 15 15 ALA HA H 15 4.110 4.116 -0.006 1 1 183 . 13 1 1 A 15 15 ALA C C 15 179.220 179.874 -0.654 1 1 184 . 13 1 1 A 15 15 ALA CA C 15 55.900 54.874 1.026 1 1 185 . 13 1 1 A 15 15 ALA CB C 15 18.430 18.060 0.370 1 1 186 . 13 1 1 A 15 15 ALA N N 15 121.660 122.766 -1.106 1 1 187 . 13 1 1 A 16 16 PHE H H 16 8.700 8.204 0.496 1 1 188 . 13 1 1 A 16 16 PHE HA H 16 3.190 3.587 -0.397 1 1 196 . 13 1 1 A 16 16 PHE C C 16 176.350 178.396 -2.046 1 1 197 . 13 1 1 A 16 16 PHE CA C 16 62.300 59.558 2.742 1 1 198 . 13 1 1 A 16 16 PHE CB C 16 39.800 37.939 1.861 1 1 204 . 13 1 1 A 16 16 PHE N N 16 118.400 116.268 2.132 1 1 205 . 13 1 1 A 17 17 SER H H 17 8.040 7.641 0.399 1 1 206 . 13 1 1 A 17 17 SER HA H 17 4.110 4.079 0.031 1 1 209 . 13 1 1 A 17 17 SER C C 17 178.820 175.726 3.094 1 1 210 . 13 1 1 A 17 17 SER CA C 17 61.600 61.719 -0.119 1 1 211 . 13 1 1 A 17 17 SER CB C 17 63.200 63.036 0.164 1 1 212 . 13 1 1 A 17 17 SER N N 17 114.290 115.301 -1.011 1 1 213 . 13 1 1 A 18 18 LEU H H 18 7.440 7.249 0.191 1 1 214 . 13 1 1 A 18 18 LEU HA H 18 3.970 3.960 0.010 1 1 224 . 13 1 1 A 18 18 LEU C C 18 178.630 178.106 0.524 1 1 225 . 13 1 1 A 18 18 LEU CA C 18 56.800 57.447 -0.647 1 1 226 . 13 1 1 A 18 18 LEU CB C 18 42.600 41.589 1.011 1 1 230 . 13 1 1 A 18 18 LEU N N 18 118.200 121.058 -2.858 1 1 231 . 13 1 1 A 19 19 PHE H H 19 7.330 6.373 0.957 1 1 232 . 13 1 1 A 19 19 PHE HA H 19 3.950 4.643 -0.693 1 1 240 . 13 1 1 A 19 19 PHE C C 19 174.460 175.347 -0.887 1 1 241 . 13 1 1 A 19 19 PHE CA C 19 59.300 57.086 2.214 1 1 242 . 13 1 1 A 19 19 PHE CB C 19 41.800 39.664 2.136 1 1 248 . 13 1 1 A 19 19 PHE N N 19 114.900 112.929 1.971 1 1 249 . 13 1 1 A 20 20 ASP H H 20 7.780 6.884 0.896 1 1 250 . 13 1 1 A 20 20 ASP HA H 20 4.480 5.102 -0.622 1 1 253 . 13 1 1 A 20 20 ASP C C 20 176.700 175.882 0.818 1 1 254 . 13 1 1 A 20 20 ASP CA C 20 52.400 53.390 -0.990 1 1 255 . 13 1 1 A 20 20 ASP CB C 20 39.400 39.207 0.193 1 1 256 . 13 1 1 A 20 20 ASP N N 20 117.700 122.224 -4.524 1 1 257 . 13 1 1 A 21 21 LYS H H 21 7.480 8.172 -0.692 1 1 258 . 13 1 1 A 21 21 LYS HA H 21 3.840 3.945 -0.105 1 1 267 . 13 1 1 A 21 21 LYS C C 21 175.550 177.382 -1.832 1 1 268 . 13 1 1 A 21 21 LYS CA C 21 58.300 59.425 -1.125 1 1 269 . 13 1 1 A 21 21 LYS CB C 21 32.600 32.395 0.205 1 1 273 . 13 1 1 A 21 21 LYS N N 21 124.200 125.306 -1.106 1 1 274 . 13 1 1 A 22 22 ASP H H 22 7.910 7.987 -0.077 1 1 275 . 13 1 1 A 22 22 ASP HA H 22 4.460 4.638 -0.178 1 1 278 . 13 1 1 A 22 22 ASP C C 22 176.920 177.710 -0.790 1 1 279 . 13 1 1 A 22 22 ASP CA C 22 53.400 53.088 0.312 1 1 280 . 13 1 1 A 22 22 ASP CB C 22 39.800 39.781 0.019 1 1 281 . 13 1 1 A 22 22 ASP N N 22 113.500 115.263 -1.763 1 1 282 . 13 1 1 A 23 23 GLY H H 23 7.540 7.991 -0.451 1 1 283 . 13 1 1 A 23 23 GLY HA2 H 23 3.730 3.874 -0.144 1 1 284 . 13 1 1 A 23 23 GLY HA3 H 23 3.730 3.875 -0.145 1 1 285 . 13 1 1 A 23 23 GLY C C 23 178.030 175.127 2.903 1 1 286 . 13 1 1 A 23 23 GLY CA C 23 47.400 47.201 0.199 1 1 287 . 13 1 1 A 23 23 GLY N N 23 109.200 108.954 0.246 1 1 288 . 13 1 1 A 24 24 ASP H H 24 8.430 7.799 0.631 1 1 289 . 13 1 1 A 24 24 ASP HA H 24 4.410 4.585 -0.175 1 1 292 . 13 1 1 A 24 24 ASP C C 24 177.580 177.579 0.001 1 1 293 . 13 1 1 A 24 24 ASP CA C 24 53.770 53.579 0.191 1 1 294 . 13 1 1 A 24 24 ASP CB C 24 40.200 40.310 -0.110 1 1 295 . 13 1 1 A 24 24 ASP N N 24 120.700 120.548 0.152 1 1 296 . 13 1 1 A 25 25 GLY H H 25 10.370 9.520 0.850 1 1 297 . 13 1 1 A 25 25 GLY HA2 H 25 4.240 3.976 0.264 1 1 298 . 13 1 1 A 25 25 GLY HA3 H 25 3.610 3.996 -0.386 1 1 299 . 13 1 1 A 25 25 GLY C C 25 175.160 173.599 1.561 1 1 300 . 13 1 1 A 25 25 GLY CA C 25 45.300 45.511 -0.211 1 1 301 . 13 1 1 A 25 25 GLY N N 25 112.100 112.096 0.004 1 1 302 . 13 1 1 A 26 26 THR H H 26 8.060 8.098 -0.038 1 1 303 . 13 1 1 A 26 26 THR HA H 26 5.430 5.032 0.398 1 1 308 . 13 1 1 A 26 26 THR C C 26 177.260 173.320 3.940 1 1 309 . 13 1 1 A 26 26 THR CA C 26 59.500 58.888 0.612 1 1 310 . 13 1 1 A 26 26 THR CB C 26 72.800 73.194 -0.394 1 1 312 . 13 1 1 A 26 26 THR N N 26 110.950 109.643 1.307 1 1 313 . 13 1 1 A 27 27 ILE H H 27 9.890 8.553 1.337 1 1 314 . 13 1 1 A 27 27 ILE HA H 27 4.680 5.092 -0.412 1 1 324 . 13 1 1 A 27 27 ILE C C 27 173.810 175.671 -1.861 1 1 325 . 13 1 1 A 27 27 ILE CA C 27 61.250 60.610 0.640 1 1 326 . 13 1 1 A 27 27 ILE CB C 27 40.700 38.526 2.174 1 1 330 . 13 1 1 A 27 27 ILE N N 27 125.400 124.568 0.832 1 1 331 . 13 1 1 A 28 28 THR H H 28 8.290 8.914 -0.624 1 1 332 . 13 1 1 A 28 28 THR HA H 28 4.680 4.927 -0.247 1 1 337 . 13 1 1 A 28 28 THR C C 28 173.550 176.178 -2.628 1 1 338 . 13 1 1 A 28 28 THR CA C 28 59.200 59.541 -0.341 1 1 339 . 13 1 1 A 28 28 THR CB C 28 72.600 72.081 0.519 1 1 341 . 13 1 1 A 28 28 THR N N 28 116.000 117.849 -1.849 1 1 342 . 13 1 1 A 29 29 THR H H 29 9.180 8.870 0.310 1 1 343 . 13 1 1 A 29 29 THR HA H 29 3.570 3.890 -0.320 1 1 348 . 13 1 1 A 29 29 THR C C 29 176.080 176.327 -0.247 1 1 349 . 13 1 1 A 29 29 THR CA C 29 66.100 66.625 -0.525 1 1 350 . 13 1 1 A 29 29 THR CB C 29 67.650 68.300 -0.650 1 1 352 . 13 1 1 A 29 29 THR N N 29 111.440 114.968 -3.528 1 1 353 . 13 1 1 A 30 30 LYS H H 30 7.340 8.001 -0.661 1 1 354 . 13 1 1 A 30 30 LYS HA H 30 3.960 3.935 0.025 1 1 363 . 13 1 1 A 30 30 LYS C C 30 176.660 179.391 -2.731 1 1 364 . 13 1 1 A 30 30 LYS CA C 30 59.100 59.918 -0.818 1 1 365 . 13 1 1 A 30 30 LYS CB C 30 32.700 32.310 0.390 1 1 369 . 13 1 1 A 30 30 LYS N N 30 120.350 122.642 -2.292 1 1 370 . 13 1 1 A 31 31 GLU H H 31 7.760 8.327 -0.567 1 1 371 . 13 1 1 A 31 31 GLU HA H 31 4.000 4.122 -0.122 1 1 376 . 13 1 1 A 31 31 GLU C C 31 177.230 179.009 -1.779 1 1 377 . 13 1 1 A 31 31 GLU CA C 31 59.600 58.956 0.644 1 1 378 . 13 1 1 A 31 31 GLU CB C 31 29.600 28.597 1.003 1 1 380 . 13 1 1 A 31 31 GLU N N 31 122.300 118.138 4.162 1 1 381 . 13 1 1 A 32 32 LEU H H 32 8.370 8.245 0.125 1 1 382 . 13 1 1 A 32 32 LEU HA H 32 4.060 3.869 0.191 1 1 392 . 13 1 1 A 32 32 LEU C C 32 179.400 178.664 0.736 1 1 393 . 13 1 1 A 32 32 LEU CA C 32 57.550 57.895 -0.345 1 1 394 . 13 1 1 A 32 32 LEU CB C 32 41.700 41.969 -0.269 1 1 398 . 13 1 1 A 32 32 LEU N N 32 120.100 123.045 -2.945 1 1 399 . 13 1 1 A 33 33 GLY H H 33 8.650 8.044 0.606 1 1 400 . 13 1 1 A 33 33 GLY HA2 H 33 3.450 3.809 -0.359 1 1 401 . 13 1 1 A 33 33 GLY HA3 H 33 3.800 3.811 -0.011 1 1 402 . 13 1 1 A 33 33 GLY C C 33 179.640 176.234 3.406 1 1 403 . 13 1 1 A 33 33 GLY CA C 33 48.300 47.717 0.583 1 1 404 . 13 1 1 A 33 33 GLY N N 33 105.700 106.150 -0.450 1 1 405 . 13 1 1 A 34 34 THR H H 34 8.070 7.919 0.151 1 1 406 . 13 1 1 A 34 34 THR HA H 34 3.790 4.020 -0.230 1 1 411 . 13 1 1 A 34 34 THR C C 34 178.670 176.044 2.626 1 1 412 . 13 1 1 A 34 34 THR CA C 34 67.300 67.041 0.259 1 1 413 . 13 1 1 A 34 34 THR CB C 34 68.700 68.630 0.070 1 1 415 . 13 1 1 A 34 34 THR N N 34 118.140 118.841 -0.701 1 1 416 . 13 1 1 A 35 35 VAL H H 35 7.510 7.760 -0.250 1 1 417 . 13 1 1 A 35 35 VAL HA H 35 3.480 3.555 -0.075 1 1 425 . 13 1 1 A 35 35 VAL C C 35 175.050 177.616 -2.566 1 1 426 . 13 1 1 A 35 35 VAL CA C 35 66.500 66.776 -0.276 1 1 427 . 13 1 1 A 35 35 VAL CB C 35 31.400 31.328 0.072 1 1 430 . 13 1 1 A 35 35 VAL N N 35 121.400 121.922 -0.522 1 1 431 . 13 1 1 A 36 36 MET H H 36 8.530 7.968 0.562 1 1 432 . 13 1 1 A 36 36 MET HA H 36 3.590 4.111 -0.521 1 1 440 . 13 1 1 A 36 36 MET C C 36 177.410 177.901 -0.491 1 1 441 . 13 1 1 A 36 36 MET CA C 36 61.900 58.539 3.361 1 1 442 . 13 1 1 A 36 36 MET CB C 36 32.600 31.160 1.440 1 1 445 . 13 1 1 A 36 36 MET N N 36 118.970 118.077 0.893 1 1 446 . 13 1 1 A 37 37 ARG H H 37 8.600 8.269 0.331 1 1 447 . 13 1 1 A 37 37 ARG HA H 37 4.720 4.136 0.584 1 1 454 . 13 1 1 A 37 37 ARG C C 37 179.250 178.811 0.439 1 1 455 . 13 1 1 A 37 37 ARG CA C 37 59.450 59.422 0.028 1 1 456 . 13 1 1 A 37 37 ARG CB C 37 30.200 30.156 0.044 1 1 459 . 13 1 1 A 37 37 ARG N N 37 118.400 120.328 -1.928 1 1 460 . 13 1 1 A 38 38 SER H H 38 7.830 8.090 -0.260 1 1 461 . 13 1 1 A 38 38 SER HA H 38 4.240 4.318 -0.078 1 1 464 . 13 1 1 A 38 38 SER C C 38 178.480 176.581 1.899 1 1 465 . 13 1 1 A 38 38 SER CA C 38 62.100 61.337 0.763 1 1 466 . 13 1 1 A 38 38 SER CB C 38 63.400 62.911 0.489 1 1 467 . 13 1 1 A 38 38 SER N N 38 119.400 115.226 4.174 1 1 468 . 13 1 1 A 39 39 LEU H H 39 7.280 8.123 -0.843 1 1 469 . 13 1 1 A 39 39 LEU HA H 39 4.360 4.468 -0.108 1 1 479 . 13 1 1 A 39 39 LEU C C 39 178.240 176.743 1.497 1 1 480 . 13 1 1 A 39 39 LEU CA C 39 54.300 55.522 -1.222 1 1 481 . 13 1 1 A 39 39 LEU CB C 39 42.100 42.701 -0.601 1 1 485 . 13 1 1 A 39 39 LEU N N 39 119.950 123.620 -3.670 1 1 486 . 13 1 1 A 40 40 GLY H H 40 7.740 8.251 -0.511 1 1 487 . 13 1 1 A 40 40 GLY HA2 H 40 4.140 3.915 0.225 1 1 488 . 13 1 1 A 40 40 GLY HA3 H 40 3.650 3.919 -0.269 1 1 489 . 13 1 1 A 40 40 GLY C C 40 176.140 173.857 2.283 1 1 490 . 13 1 1 A 40 40 GLY CA C 40 45.300 45.683 -0.383 1 1 491 . 13 1 1 A 40 40 GLY N N 40 105.750 108.297 -2.547 1 1 492 . 13 1 1 A 41 41 GLN H H 41 7.710 7.836 -0.126 1 1 493 . 13 1 1 A 41 41 GLN HA H 41 4.360 4.698 -0.338 1 1 500 . 13 1 1 A 41 41 GLN C C 41 176.700 174.851 1.849 1 1 501 . 13 1 1 A 41 41 GLN CA C 41 54.900 54.146 0.754 1 1 502 . 13 1 1 A 41 41 GLN CB C 41 29.600 30.927 -1.327 1 1 504 . 13 1 1 A 41 41 GLN N N 41 118.400 119.135 -0.735 1 1 506 . 13 1 1 A 42 42 ASN H H 42 8.640 8.744 -0.104 1 1 507 . 13 1 1 A 42 42 ASN HA H 42 5.150 5.166 -0.016 1 1 512 . 13 1 1 A 42 42 ASN CA C 42 51.200 50.728 0.472 1 1 513 . 13 1 1 A 42 42 ASN CB C 42 39.500 38.383 1.117 1 1 514 . 13 1 1 A 42 42 ASN N N 42 115.610 117.859 -2.249 1 1 516 . 13 1 1 A 43 43 PRO HA H 43 4.540 4.574 -0.034 1 1 523 . 13 1 1 A 43 43 PRO C C 43 179.440 176.360 3.080 1 1 524 . 13 1 1 A 43 43 PRO CA C 43 62.450 62.942 -0.492 1 1 525 . 13 1 1 A 43 43 PRO CB C 43 31.500 31.842 -0.342 1 1 528 . 13 1 1 A 44 44 THR H H 44 8.660 8.471 0.189 1 1 529 . 13 1 1 A 44 44 THR HA H 44 4.340 4.545 -0.205 1 1 534 . 13 1 1 A 44 44 THR CA C 44 60.450 61.328 -0.878 1 1 535 . 13 1 1 A 44 44 THR CB C 44 71.400 69.936 1.464 1 1 537 . 13 1 1 A 44 44 THR N N 44 112.600 116.811 -4.211 1 1 538 . 13 1 1 A 45 45 GLU H H 45 8.720 9.059 -0.339 1 1 539 . 13 1 1 A 45 45 GLU HA H 45 3.870 4.036 -0.166 1 1 544 . 13 1 1 A 45 45 GLU C C 45 174.270 178.589 -4.319 1 1 545 . 13 1 1 A 45 45 GLU CA C 45 59.900 59.315 0.585 1 1 546 . 13 1 1 A 45 45 GLU CB C 45 29.200 29.251 -0.051 1 1 548 . 13 1 1 A 45 45 GLU N N 45 120.150 124.331 -4.181 1 1 549 . 13 1 1 A 46 46 ALA H H 46 8.200 7.842 0.358 1 1 550 . 13 1 1 A 46 46 ALA HA H 46 3.980 4.042 -0.062 1 1 554 . 13 1 1 A 46 46 ALA C C 46 175.180 180.019 -4.839 1 1 555 . 13 1 1 A 46 46 ALA CA C 46 55.100 54.870 0.230 1 1 556 . 13 1 1 A 46 46 ALA CB C 46 18.300 18.242 0.058 1 1 557 . 13 1 1 A 46 46 ALA N N 46 120.450 121.931 -1.481 1 1 558 . 13 1 1 A 47 47 GLU H H 47 7.630 7.776 -0.146 1 1 559 . 13 1 1 A 47 47 GLU HA H 47 3.890 4.123 -0.233 1 1 564 . 13 1 1 A 47 47 GLU C C 47 179.020 179.068 -0.048 1 1 565 . 13 1 1 A 47 47 GLU CA C 47 59.500 58.778 0.722 1 1 566 . 13 1 1 A 47 47 GLU CB C 47 29.600 29.385 0.215 1 1 568 . 13 1 1 A 47 47 GLU N N 47 118.320 118.463 -0.143 1 1 569 . 13 1 1 A 48 48 LEU H H 48 7.880 8.230 -0.350 1 1 570 . 13 1 1 A 48 48 LEU HA H 48 3.790 3.971 -0.181 1 1 580 . 13 1 1 A 48 48 LEU C C 48 180.200 179.862 0.338 1 1 581 . 13 1 1 A 48 48 LEU CA C 48 58.150 57.907 0.243 1 1 582 . 13 1 1 A 48 48 LEU CB C 48 42.800 41.751 1.049 1 1 586 . 13 1 1 A 48 48 LEU N N 48 119.000 120.116 -1.116 1 1 587 . 13 1 1 A 49 49 GLN H H 49 8.080 7.756 0.324 1 1 588 . 13 1 1 A 49 49 GLN HA H 49 3.630 4.012 -0.382 1 1 595 . 13 1 1 A 49 49 GLN C C 49 177.680 177.567 0.113 1 1 596 . 13 1 1 A 49 49 GLN CA C 49 58.600 58.897 -0.297 1 1 597 . 13 1 1 A 49 49 GLN CB C 49 28.500 28.512 -0.012 1 1 599 . 13 1 1 A 49 49 GLN N N 49 117.400 118.714 -1.314 1 1 601 . 13 1 1 A 50 50 ASP H H 50 7.960 8.201 -0.241 1 1 602 . 13 1 1 A 50 50 ASP HA H 50 4.300 4.301 -0.001 1 1 605 . 13 1 1 A 50 50 ASP C C 50 178.470 178.484 -0.014 1 1 606 . 13 1 1 A 50 50 ASP CA C 50 57.700 57.910 -0.210 1 1 607 . 13 1 1 A 50 50 ASP CB C 50 40.600 42.001 -1.401 1 1 608 . 13 1 1 A 50 50 ASP N N 50 119.050 119.522 -0.472 1 1 609 . 13 1 1 A 51 51 MET H H 51 7.750 8.206 -0.456 1 1 610 . 13 1 1 A 51 51 MET HA H 51 4.000 4.191 -0.191 1 1 618 . 13 1 1 A 51 51 MET C C 51 178.170 178.727 -0.557 1 1 619 . 13 1 1 A 51 51 MET CA C 51 59.500 58.451 1.049 1 1 620 . 13 1 1 A 51 51 MET CB C 51 34.700 33.067 1.633 1 1 623 . 13 1 1 A 51 51 MET N N 51 117.900 117.730 0.170 1 1 624 . 13 1 1 A 52 52 ILE H H 52 7.580 7.940 -0.360 1 1 625 . 13 1 1 A 52 52 ILE HA H 52 3.620 3.502 0.118 1 1 635 . 13 1 1 A 52 52 ILE C C 52 178.690 177.806 0.884 1 1 636 . 13 1 1 A 52 52 ILE CA C 52 63.600 65.360 -1.760 1 1 637 . 13 1 1 A 52 52 ILE CB C 52 36.700 37.853 -1.153 1 1 641 . 13 1 1 A 52 52 ILE N N 52 116.850 119.276 -2.426 1 1 642 . 13 1 1 A 53 53 ASN H H 53 8.570 8.447 0.123 1 1 643 . 13 1 1 A 53 53 ASN HA H 53 4.310 4.431 -0.121 1 1 648 . 13 1 1 A 53 53 ASN CA C 53 56.400 56.475 -0.075 1 1 649 . 13 1 1 A 53 53 ASN CB C 53 38.300 37.950 0.350 1 1 650 . 13 1 1 A 53 53 ASN N N 53 116.900 118.138 -1.238 1 1 652 . 13 1 1 A 54 54 GLU H H 54 7.520 7.718 -0.198 1 1 653 . 13 1 1 A 54 54 GLU HA H 54 3.950 4.086 -0.136 1 1 658 . 13 1 1 A 54 54 GLU C C 54 178.070 178.668 -0.598 1 1 659 . 13 1 1 A 54 54 GLU CA C 54 59.000 59.139 -0.139 1 1 660 . 13 1 1 A 54 54 GLU CB C 54 29.800 29.299 0.501 1 1 662 . 13 1 1 A 54 54 GLU N N 54 115.650 120.493 -4.843 1 1 663 . 13 1 1 A 55 55 VAL H H 55 7.020 7.209 -0.189 1 1 664 . 13 1 1 A 55 55 VAL HA H 55 4.110 4.011 0.099 1 1 672 . 13 1 1 A 55 55 VAL C C 55 177.890 176.396 1.494 1 1 673 . 13 1 1 A 55 55 VAL CA C 55 61.210 64.635 -3.425 1 1 674 . 13 1 1 A 55 55 VAL CB C 55 33.100 32.157 0.943 1 1 677 . 13 1 1 A 55 55 VAL N N 55 111.500 118.011 -6.511 1 1 678 . 13 1 1 A 56 56 ASP H H 56 7.460 7.890 -0.430 1 1 679 . 13 1 1 A 56 56 ASP HA H 56 4.360 4.719 -0.359 1 1 682 . 13 1 1 A 56 56 ASP C C 56 177.620 176.669 0.951 1 1 683 . 13 1 1 A 56 56 ASP CA C 56 53.550 53.552 -0.002 1 1 684 . 13 1 1 A 56 56 ASP CB C 56 40.600 40.328 0.272 1 1 685 . 13 1 1 A 56 56 ASP N N 56 121.330 121.757 -0.427 1 1 686 . 13 1 1 A 57 57 ALA H H 57 7.780 8.239 -0.459 1 1 687 . 13 1 1 A 57 57 ALA HA H 57 4.080 4.077 0.003 1 1 691 . 13 1 1 A 57 57 ALA C C 57 175.320 178.389 -3.069 1 1 692 . 13 1 1 A 57 57 ALA CA C 57 55.000 55.066 -0.066 1 1 693 . 13 1 1 A 57 57 ALA CB C 57 19.800 18.566 1.234 1 1 694 . 13 1 1 A 57 57 ALA N N 57 130.400 128.082 2.318 1 1 695 . 13 1 1 A 58 58 ASP H H 58 8.140 8.214 -0.074 1 1 696 . 13 1 1 A 58 58 ASP HA H 58 4.540 4.577 -0.037 1 1 699 . 13 1 1 A 58 58 ASP C C 58 176.130 177.499 -1.369 1 1 700 . 13 1 1 A 58 58 ASP CA C 58 52.950 53.224 -0.274 1 1 701 . 13 1 1 A 58 58 ASP CB C 58 40.100 40.018 0.082 1 1 702 . 13 1 1 A 58 58 ASP N N 58 113.200 113.189 0.011 1 1 703 . 13 1 1 A 59 59 GLY H H 59 7.530 7.653 -0.123 1 1 704 . 13 1 1 A 59 59 GLY HA2 H 59 3.700 3.923 -0.223 1 1 705 . 13 1 1 A 59 59 GLY HA3 H 59 3.820 3.924 -0.104 1 1 706 . 13 1 1 A 59 59 GLY C C 59 178.830 175.287 3.543 1 1 707 . 13 1 1 A 59 59 GLY CA C 59 47.450 46.935 0.515 1 1 708 . 13 1 1 A 59 59 GLY N N 59 108.180 109.287 -1.107 1 1 709 . 13 1 1 A 60 60 ASN H H 60 8.080 8.528 -0.448 1 1 710 . 13 1 1 A 60 60 ASN HA H 60 4.500 4.684 -0.184 1 1 715 . 13 1 1 A 60 60 ASN CA C 60 52.900 52.635 0.265 1 1 716 . 13 1 1 A 60 60 ASN CB C 60 37.900 37.858 0.042 1 1 717 . 13 1 1 A 60 60 ASN N N 60 118.700 118.578 0.122 1 1 719 . 13 1 1 A 61 61 GLY H H 61 10.640 10.312 0.328 1 1 720 . 13 1 1 A 61 61 GLY HA2 H 61 3.370 3.892 -0.522 1 1 721 . 13 1 1 A 61 61 GLY HA3 H 61 4.190 3.895 0.295 1 1 722 . 13 1 1 A 61 61 GLY C C 61 174.970 173.456 1.514 1 1 723 . 13 1 1 A 61 61 GLY CA C 61 45.300 45.335 -0.035 1 1 724 . 13 1 1 A 61 61 GLY N N 61 113.400 112.119 1.281 1 1 725 . 13 1 1 A 62 62 THR H H 62 7.550 7.791 -0.241 1 1 726 . 13 1 1 A 62 62 THR HA H 62 4.620 4.948 -0.328 1 1 731 . 13 1 1 A 62 62 THR C C 62 176.870 172.796 4.074 1 1 732 . 13 1 1 A 62 62 THR CA C 62 59.550 59.594 -0.044 1 1 733 . 13 1 1 A 62 62 THR CB C 62 72.500 72.640 -0.140 1 1 735 . 13 1 1 A 62 62 THR N N 62 107.860 109.859 -1.999 1 1 736 . 13 1 1 A 63 63 ILE H H 63 8.790 8.593 0.197 1 1 737 . 13 1 1 A 63 63 ILE HA H 63 5.280 4.971 0.309 1 1 747 . 13 1 1 A 63 63 ILE C C 63 173.250 175.160 -1.910 1 1 748 . 13 1 1 A 63 63 ILE CA C 63 57.600 59.989 -2.389 1 1 749 . 13 1 1 A 63 63 ILE CB C 63 39.400 39.211 0.189 1 1 753 . 13 1 1 A 63 63 ILE N N 63 123.900 121.906 1.994 1 1 754 . 13 1 1 A 64 64 ASP H H 64 8.720 8.916 -0.196 1 1 755 . 13 1 1 A 64 64 ASP HA H 64 5.350 5.062 0.288 1 1 758 . 13 1 1 A 64 64 ASP C C 64 172.850 177.930 -5.080 1 1 759 . 13 1 1 A 64 64 ASP CA C 64 52.100 52.797 -0.697 1 1 760 . 13 1 1 A 64 64 ASP CB C 64 42.150 42.963 -0.813 1 1 761 . 13 1 1 A 64 64 ASP N N 64 127.860 127.366 0.494 1 1 762 . 13 1 1 A 65 65 PHE H H 65 8.840 9.187 -0.347 1 1 763 . 13 1 1 A 65 65 PHE HA H 65 3.890 4.890 -1.000 1 1 771 . 13 1 1 A 65 65 PHE C C 65 175.750 174.665 1.085 1 1 772 . 13 1 1 A 65 65 PHE CA C 65 63.300 63.926 -0.626 1 1 773 . 13 1 1 A 65 65 PHE CB C 65 36.100 37.426 -1.326 1 1 779 . 13 1 1 A 65 65 PHE N N 65 117.500 123.195 -5.695 1 1 780 . 13 1 1 A 66 66 PRO HA H 66 3.770 4.379 -0.609 1 1 787 . 13 1 1 A 66 66 PRO C C 66 175.840 179.485 -3.645 1 1 788 . 13 1 1 A 66 66 PRO CA C 66 67.100 66.496 0.604 1 1 789 . 13 1 1 A 66 66 PRO CB C 66 30.700 30.974 -0.274 1 1 792 . 13 1 1 A 67 67 GLU H H 67 8.340 8.790 -0.450 1 1 793 . 13 1 1 A 67 67 GLU HA H 67 3.920 4.149 -0.229 1 1 798 . 13 1 1 A 67 67 GLU CA C 67 59.400 59.180 0.220 1 1 799 . 13 1 1 A 67 67 GLU CB C 67 29.650 29.159 0.491 1 1 801 . 13 1 1 A 67 67 GLU N N 67 117.850 117.955 -0.105 1 1 802 . 13 1 1 A 68 68 PHE H H 68 8.630 8.326 0.304 1 1 803 . 13 1 1 A 68 68 PHE HA H 68 3.670 4.184 -0.514 1 1 811 . 13 1 1 A 68 68 PHE C C 68 174.810 177.497 -2.687 1 1 812 . 13 1 1 A 68 68 PHE CA C 68 61.400 61.359 0.041 1 1 813 . 13 1 1 A 68 68 PHE CB C 68 40.700 39.350 1.350 1 1 819 . 13 1 1 A 68 68 PHE N N 68 123.200 123.400 -0.200 1 1 820 . 13 1 1 A 69 69 LEU H H 69 8.800 8.848 -0.048 1 1 821 . 13 1 1 A 69 69 LEU HA H 69 3.130 4.102 -0.972 1 1 831 . 13 1 1 A 69 69 LEU C C 69 179.310 179.112 0.198 1 1 832 . 13 1 1 A 69 69 LEU CA C 69 58.000 58.302 -0.302 1 1 833 . 13 1 1 A 69 69 LEU CB C 69 41.550 41.826 -0.276 1 1 837 . 13 1 1 A 69 69 LEU N N 69 119.930 120.206 -0.276 1 1 838 . 13 1 1 A 70 70 THR H H 70 7.550 7.747 -0.197 1 1 839 . 13 1 1 A 70 70 THR HA H 70 3.530 3.833 -0.303 1 1 844 . 13 1 1 A 70 70 THR C C 70 180.360 176.689 3.671 1 1 845 . 13 1 1 A 70 70 THR CA C 70 66.700 66.865 -0.165 1 1 846 . 13 1 1 A 70 70 THR CB C 70 68.500 68.195 0.305 1 1 848 . 13 1 1 A 70 70 THR N N 70 114.730 114.789 -0.059 1 1 849 . 13 1 1 A 71 71 MET H H 71 7.000 8.034 -1.034 1 1 850 . 13 1 1 A 71 71 MET HA H 71 3.640 4.136 -0.496 1 1 858 . 13 1 1 A 71 71 MET C C 71 176.750 178.407 -1.657 1 1 859 . 13 1 1 A 71 71 MET CA C 71 58.800 58.088 0.712 1 1 860 . 13 1 1 A 71 71 MET CB C 71 32.000 32.379 -0.379 1 1 863 . 13 1 1 A 71 71 MET N N 71 119.750 118.375 1.375 1 1 864 . 13 1 1 A 72 72 MET H H 72 7.810 8.080 -0.270 1 1 865 . 13 1 1 A 72 72 MET HA H 72 3.880 4.180 -0.300 1 1 873 . 13 1 1 A 72 72 MET C C 72 174.850 178.207 -3.357 1 1 874 . 13 1 1 A 72 72 MET CA C 72 55.100 59.067 -3.967 1 1 875 . 13 1 1 A 72 72 MET CB C 72 28.900 33.160 -4.260 1 1 878 . 13 1 1 A 72 72 MET N N 72 115.300 118.579 -3.279 1 1 879 . 13 1 1 A 73 73 ALA H H 73 7.880 8.208 -0.328 1 1 880 . 13 1 1 A 73 73 ALA HA H 73 3.990 4.020 -0.030 1 1 884 . 13 1 1 A 73 73 ALA C C 73 177.940 178.869 -0.929 1 1 885 . 13 1 1 A 73 73 ALA CA C 73 53.900 55.298 -1.398 1 1 886 . 13 1 1 A 73 73 ALA CB C 73 18.600 18.411 0.189 1 1 887 . 13 1 1 A 73 73 ALA N N 73 120.000 121.038 -1.038 1 1 888 . 13 1 1 A 74 74 ARG H H 74 7.050 7.282 -0.232 1 1 889 . 13 1 1 A 74 74 ARG HA H 74 4.040 4.337 -0.297 1 1 896 . 13 1 1 A 74 74 ARG C C 74 178.910 176.985 1.925 1 1 897 . 13 1 1 A 74 74 ARG CA C 74 57.400 56.608 0.792 1 1 898 . 13 1 1 A 74 74 ARG CB C 74 30.900 30.618 0.282 1 1 901 . 13 1 1 A 74 74 ARG N N 74 115.850 115.639 0.211 1 1 902 . 13 1 1 A 75 75 LYS H H 75 7.820 7.726 0.094 1 1 903 . 13 1 1 A 75 75 LYS HA H 75 4.200 4.314 -0.114 1 1 912 . 13 1 1 A 75 75 LYS C C 75 178.770 176.593 2.177 1 1 913 . 13 1 1 A 75 75 LYS CA C 75 55.900 55.182 0.718 1 1 914 . 13 1 1 A 75 75 LYS CB C 75 32.600 30.886 1.714 1 1 918 . 13 1 1 A 75 75 LYS N N 75 119.600 120.851 -1.251 1 1 919 . 13 1 1 A 76 76 MET H H 76 8.100 8.183 -0.083 1 1 920 . 13 1 1 A 76 76 MET HA H 76 4.300 4.840 -0.540 1 1 928 . 13 1 1 A 76 76 MET C C 76 176.990 175.909 1.081 1 1 929 . 13 1 1 A 76 76 MET CA C 76 55.800 54.138 1.662 1 1 930 . 13 1 1 A 76 76 MET CB C 76 33.800 32.883 0.917 1 1 933 . 13 1 1 A 76 76 MET N N 76 122.300 124.836 -2.536 1 1 934 . 13 1 1 A 77 77 LYS H H 77 8.150 7.604 0.546 1 1 935 . 13 1 1 A 77 77 LYS HA H 77 4.210 4.109 0.101 1 1 944 . 13 1 1 A 77 77 LYS C C 77 176.890 175.413 1.477 1 1 945 . 13 1 1 A 77 77 LYS CA C 77 56.100 56.828 -0.728 1 1 946 . 13 1 1 A 77 77 LYS CB C 77 33.000 32.910 0.090 1 1 950 . 13 1 1 A 77 77 LYS N N 77 121.300 122.320 -1.020 1 1 951 . 13 1 1 A 78 78 ASP H H 78 8.240 8.681 -0.441 1 1 952 . 13 1 1 A 78 78 ASP HA H 78 4.500 4.868 -0.368 1 1 955 . 13 1 1 A 78 78 ASP C C 78 176.090 174.888 1.202 1 1 956 . 13 1 1 A 78 78 ASP CA C 78 54.700 53.233 1.467 1 1 957 . 13 1 1 A 78 78 ASP CB C 78 41.300 41.292 0.008 1 1 958 . 13 1 1 A 78 78 ASP N N 78 122.200 126.461 -4.261 1 1 959 . 13 1 1 A 79 79 THR H H 79 8.150 8.503 -0.353 1 1 960 . 13 1 1 A 79 79 THR HA H 79 4.220 5.015 -0.795 1 1 965 . 13 1 1 A 79 79 THR C C 79 176.240 173.417 2.823 1 1 966 . 13 1 1 A 79 79 THR CA C 79 61.500 60.667 0.833 1 1 967 . 13 1 1 A 79 79 THR CB C 79 70.300 69.930 0.370 1 1 969 . 13 1 1 A 79 79 THR N N 79 114.940 117.953 -3.013 1 1 970 . 13 1 1 A 80 80 ASP H H 80 8.480 8.886 -0.406 1 1 971 . 13 1 1 A 80 80 ASP HA H 80 4.600 4.659 -0.059 1 1 974 . 13 1 1 A 80 80 ASP C C 80 176.230 176.973 -0.743 1 1 975 . 13 1 1 A 80 80 ASP CA C 80 54.100 54.779 -0.679 1 1 976 . 13 1 1 A 80 80 ASP CB C 80 41.600 40.769 0.831 1 1 977 . 13 1 1 A 80 80 ASP N N 80 123.800 125.662 -1.862 1 1 978 . 13 1 1 A 81 81 SER H H 81 8.500 9.014 -0.514 1 1 979 . 13 1 1 A 81 81 SER HA H 81 4.220 4.093 0.127 1 1 982 . 13 1 1 A 81 81 SER C C 81 173.900 176.247 -2.347 1 1 983 . 13 1 1 A 81 81 SER CA C 81 60.400 61.702 -1.302 1 1 984 . 13 1 1 A 81 81 SER CB C 81 63.700 62.686 1.014 1 1 985 . 13 1 1 A 81 81 SER N N 81 118.450 119.100 -0.650 1 1 986 . 13 1 1 A 82 82 GLU H H 82 8.430 8.001 0.429 1 1 987 . 13 1 1 A 82 82 GLU HA H 82 4.010 4.099 -0.089 1 1 992 . 13 1 1 A 82 82 GLU C C 82 176.370 178.746 -2.376 1 1 993 . 13 1 1 A 82 82 GLU CA C 82 59.100 58.849 0.251 1 1 994 . 13 1 1 A 82 82 GLU CB C 82 29.600 29.346 0.254 1 1 996 . 13 1 1 A 82 82 GLU N N 82 121.850 121.723 0.127 1 1 997 . 13 1 1 A 83 83 GLU H H 83 8.020 9.010 -0.990 1 1 998 . 13 1 1 A 83 83 GLU HA H 83 4.040 4.039 0.001 1 1 1003 . 13 1 1 A 83 83 GLU C C 83 175.890 178.886 -2.996 1 1 1004 . 13 1 1 A 83 83 GLU CA C 83 58.800 59.519 -0.719 1 1 1005 . 13 1 1 A 83 83 GLU CB C 83 29.400 29.080 0.320 1 1 1007 . 13 1 1 A 83 83 GLU N N 83 119.470 119.549 -0.079 1 1 1008 . 13 1 1 A 84 84 GLU H H 84 7.930 7.851 0.079 1 1 1009 . 13 1 1 A 84 84 GLU HA H 84 4.150 4.152 -0.002 1 1 1014 . 13 1 1 A 84 84 GLU C C 84 176.160 179.434 -3.274 1 1 1015 . 13 1 1 A 84 84 GLU CA C 84 59.400 58.804 0.596 1 1 1016 . 13 1 1 A 84 84 GLU CB C 84 29.600 29.454 0.146 1 1 1018 . 13 1 1 A 84 84 GLU N N 84 118.310 119.394 -1.084 1 1 1019 . 13 1 1 A 85 85 ILE H H 85 7.880 7.910 -0.030 1 1 1020 . 13 1 1 A 85 85 ILE HA H 85 3.880 3.707 0.173 1 1 1030 . 13 1 1 A 85 85 ILE C C 85 179.870 177.549 2.321 1 1 1031 . 13 1 1 A 85 85 ILE CA C 85 65.400 64.979 0.421 1 1 1032 . 13 1 1 A 85 85 ILE CB C 85 37.400 37.632 -0.232 1 1 1036 . 13 1 1 A 85 85 ILE N N 85 120.900 121.064 -0.164 1 1 1037 . 13 1 1 A 86 86 ARG H H 86 7.990 7.841 0.149 1 1 1038 . 13 1 1 A 86 86 ARG HA H 86 4.030 4.040 -0.010 1 1 1045 . 13 1 1 A 86 86 ARG C C 86 180.520 179.272 1.248 1 1 1046 . 13 1 1 A 86 86 ARG CA C 86 60.200 60.009 0.191 1 1 1047 . 13 1 1 A 86 86 ARG CB C 86 29.800 29.827 -0.027 1 1 1050 . 13 1 1 A 86 86 ARG N N 86 121.000 119.535 1.465 1 1 1051 . 13 1 1 A 87 87 GLU H H 87 8.350 8.511 -0.161 1 1 1052 . 13 1 1 A 87 87 GLU HA H 87 3.900 4.077 -0.177 1 1 1057 . 13 1 1 A 87 87 GLU C C 87 177.380 179.477 -2.097 1 1 1058 . 13 1 1 A 87 87 GLU CA C 87 59.600 59.428 0.172 1 1 1059 . 13 1 1 A 87 87 GLU CB C 87 29.500 29.668 -0.168 1 1 1061 . 13 1 1 A 87 87 GLU N N 87 117.860 119.690 -1.830 1 1 1062 . 13 1 1 A 88 88 ALA H H 88 7.880 7.895 -0.015 1 1 1063 . 13 1 1 A 88 88 ALA HA H 88 4.060 4.228 -0.168 1 1 1067 . 13 1 1 A 88 88 ALA C C 88 178.580 179.679 -1.099 1 1 1068 . 13 1 1 A 88 88 ALA CA C 88 55.200 54.708 0.492 1 1 1069 . 13 1 1 A 88 88 ALA CB C 88 17.900 18.371 -0.471 1 1 1070 . 13 1 1 A 88 88 ALA N N 88 120.100 122.432 -2.332 1 1 1071 . 13 1 1 A 89 89 PHE H H 89 8.550 7.902 0.648 1 1 1072 . 13 1 1 A 89 89 PHE HA H 89 4.000 3.735 0.265 1 1 1080 . 13 1 1 A 89 89 PHE C C 89 179.770 177.295 2.475 1 1 1081 . 13 1 1 A 89 89 PHE CA C 89 61.800 61.344 0.456 1 1 1082 . 13 1 1 A 89 89 PHE CB C 89 39.130 38.966 0.164 1 1 1088 . 13 1 1 A 89 89 PHE N N 89 118.760 119.496 -0.736 1 1 1089 . 13 1 1 A 90 90 ARG H H 90 7.750 7.759 -0.009 1 1 1090 . 13 1 1 A 90 90 ARG HA H 90 3.760 4.048 -0.288 1 1 1097 . 13 1 1 A 90 90 ARG C C 90 179.090 178.890 0.200 1 1 1098 . 13 1 1 A 90 90 ARG CA C 90 58.800 59.176 -0.376 1 1 1099 . 13 1 1 A 90 90 ARG CB C 90 30.500 29.795 0.705 1 1 1102 . 13 1 1 A 90 90 ARG N N 90 115.100 118.574 -3.474 1 1 1103 . 13 1 1 A 91 91 VAL H H 91 7.270 7.539 -0.269 1 1 1104 . 13 1 1 A 91 91 VAL HA H 91 3.360 3.558 -0.198 1 1 1112 . 13 1 1 A 91 91 VAL C C 91 179.060 178.037 1.023 1 1 1113 . 13 1 1 A 91 91 VAL CA C 91 66.050 66.364 -0.314 1 1 1114 . 13 1 1 A 91 91 VAL CB C 91 31.200 31.788 -0.588 1 1 1117 . 13 1 1 A 91 91 VAL N N 91 117.450 119.565 -2.115 1 1 1118 . 13 1 1 A 92 92 PHE H H 92 7.000 7.750 -0.750 1 1 1119 . 13 1 1 A 92 92 PHE HA H 92 4.070 4.139 -0.069 1 1 1127 . 13 1 1 A 92 92 PHE C C 92 177.490 176.379 1.111 1 1 1128 . 13 1 1 A 92 92 PHE CA C 92 60.700 59.772 0.928 1 1 1129 . 13 1 1 A 92 92 PHE CB C 92 38.000 39.377 -1.377 1 1 1135 . 13 1 1 A 92 92 PHE N N 92 114.400 118.430 -4.030 1 1 1136 . 13 1 1 A 93 93 ASP H H 93 7.870 8.227 -0.357 1 1 1137 . 13 1 1 A 93 93 ASP HA H 93 4.450 4.434 0.016 1 1 1140 . 13 1 1 A 93 93 ASP C C 93 176.830 176.235 0.595 1 1 1141 . 13 1 1 A 93 93 ASP CA C 93 52.300 52.339 -0.039 1 1 1142 . 13 1 1 A 93 93 ASP CB C 93 38.800 39.164 -0.364 1 1 1143 . 13 1 1 A 93 93 ASP N N 93 115.100 117.019 -1.919 1 1 1144 . 13 1 1 A 94 94 LYS H H 94 7.510 7.807 -0.297 1 1 1145 . 13 1 1 A 94 94 LYS HA H 94 3.770 3.762 0.008 1 1 1154 . 13 1 1 A 94 94 LYS C C 94 176.650 177.603 -0.953 1 1 1155 . 13 1 1 A 94 94 LYS CA C 94 59.400 59.931 -0.531 1 1 1156 . 13 1 1 A 94 94 LYS CB C 94 32.800 32.162 0.638 1 1 1160 . 13 1 1 A 94 94 LYS N N 94 124.250 126.546 -2.296 1 1 1161 . 13 1 1 A 95 95 ASP H H 95 8.190 7.572 0.618 1 1 1162 . 13 1 1 A 95 95 ASP HA H 95 4.430 4.601 -0.171 1 1 1165 . 13 1 1 A 95 95 ASP C C 95 177.580 177.614 -0.034 1 1 1166 . 13 1 1 A 95 95 ASP CA C 95 53.600 53.181 0.419 1 1 1167 . 13 1 1 A 95 95 ASP CB C 95 39.900 39.931 -0.031 1 1 1168 . 13 1 1 A 95 95 ASP N N 95 113.600 114.940 -1.340 1 1 1169 . 13 1 1 A 96 96 GLY H H 96 7.770 7.963 -0.193 1 1 1170 . 13 1 1 A 96 96 GLY HA2 H 96 3.750 3.911 -0.161 1 1 1171 . 13 1 1 A 96 96 GLY HA3 H 96 3.750 3.915 -0.165 1 1 1172 . 13 1 1 A 96 96 GLY C C 96 178.400 175.481 2.919 1 1 1173 . 13 1 1 A 96 96 GLY CA C 96 47.100 47.024 0.076 1 1 1174 . 13 1 1 A 96 96 GLY N N 96 108.900 109.093 -0.193 1 1 1175 . 13 1 1 A 97 97 ASN H H 97 8.270 8.043 0.227 1 1 1176 . 13 1 1 A 97 97 ASN HA H 97 4.520 4.766 -0.246 1 1 1181 . 13 1 1 A 97 97 ASN CA C 97 52.900 52.462 0.438 1 1 1182 . 13 1 1 A 97 97 ASN CB C 97 38.100 38.027 0.073 1 1 1183 . 13 1 1 A 97 97 ASN N N 97 119.460 118.874 0.586 1 1 1185 . 13 1 1 A 98 98 GLY H H 98 10.660 9.455 1.205 1 1 1186 . 13 1 1 A 98 98 GLY HA2 H 98 3.330 3.943 -0.613 1 1 1187 . 13 1 1 A 98 98 GLY HA3 H 98 3.960 3.961 -0.001 1 1 1188 . 13 1 1 A 98 98 GLY C C 98 178.360 172.979 5.381 1 1 1189 . 13 1 1 A 98 98 GLY CA C 98 45.800 45.532 0.268 1 1 1190 . 13 1 1 A 98 98 GLY N N 98 112.700 111.434 1.266 1 1 1191 . 13 1 1 A 99 99 TYR H H 99 7.570 8.757 -1.187 1 1 1192 . 13 1 1 A 99 99 TYR HA H 99 4.850 5.406 -0.556 1 1 1199 . 13 1 1 A 99 99 TYR C C 99 176.090 175.064 1.026 1 1 1200 . 13 1 1 A 99 99 TYR CA C 99 56.250 55.871 0.379 1 1 1201 . 13 1 1 A 99 99 TYR CB C 99 42.700 43.275 -0.575 1 1 1206 . 13 1 1 A 99 99 TYR N N 99 115.850 117.374 -1.524 1 1 1207 . 13 1 1 A 100 100 ILE H H 100 10.120 9.243 0.877 1 1 1208 . 13 1 1 A 100 100 ILE HA H 100 4.600 4.804 -0.204 1 1 1218 . 13 1 1 A 100 100 ILE C C 100 172.730 176.303 -3.573 1 1 1219 . 13 1 1 A 100 100 ILE CA C 100 61.500 60.487 1.013 1 1 1220 . 13 1 1 A 100 100 ILE CB C 100 39.300 39.076 0.224 1 1 1224 . 13 1 1 A 100 100 ILE N N 100 127.260 124.808 2.452 1 1 1225 . 13 1 1 A 101 101 SER H H 101 9.010 9.181 -0.171 1 1 1226 . 13 1 1 A 101 101 SER HA H 101 4.820 4.904 -0.084 1 1 1229 . 13 1 1 A 101 101 SER C C 101 174.660 175.475 -0.815 1 1 1230 . 13 1 1 A 101 101 SER CA C 101 55.900 56.782 -0.882 1 1 1231 . 13 1 1 A 101 101 SER CB C 101 67.000 65.864 1.136 1 1 1232 . 13 1 1 A 101 101 SER N N 101 123.850 122.712 1.138 1 1 1233 . 13 1 1 A 102 102 ALA H H 102 9.240 9.053 0.187 1 1 1234 . 13 1 1 A 102 102 ALA HA H 102 3.830 4.054 -0.224 1 1 1238 . 13 1 1 A 102 102 ALA C C 102 175.840 179.855 -4.015 1 1 1239 . 13 1 1 A 102 102 ALA CA C 102 56.170 55.835 0.335 1 1 1240 . 13 1 1 A 102 102 ALA CB C 102 18.200 17.916 0.284 1 1 1241 . 13 1 1 A 102 102 ALA N N 102 122.650 124.860 -2.210 1 1 1242 . 13 1 1 A 103 103 ALA H H 103 8.180 8.152 0.028 1 1 1243 . 13 1 1 A 103 103 ALA HA H 103 3.980 3.969 0.011 1 1 1247 . 13 1 1 A 103 103 ALA C C 103 175.260 180.301 -5.041 1 1 1248 . 13 1 1 A 103 103 ALA CA C 103 55.200 55.224 -0.024 1 1 1249 . 13 1 1 A 103 103 ALA CB C 103 18.500 18.697 -0.197 1 1 1250 . 13 1 1 A 103 103 ALA N N 103 118.250 119.547 -1.297 1 1 1251 . 13 1 1 A 104 104 GLU H H 104 7.860 7.944 -0.084 1 1 1252 . 13 1 1 A 104 104 GLU HA H 104 3.890 3.927 -0.037 1 1 1257 . 13 1 1 A 104 104 GLU C C 104 179.350 179.451 -0.101 1 1 1258 . 13 1 1 A 104 104 GLU CA C 104 59.800 59.521 0.279 1 1 1259 . 13 1 1 A 104 104 GLU CB C 104 29.500 29.439 0.061 1 1 1261 . 13 1 1 A 104 104 GLU N N 104 120.200 118.044 2.156 1 1 1262 . 13 1 1 A 105 105 LEU H H 105 8.500 8.369 0.131 1 1 1263 . 13 1 1 A 105 105 LEU HA H 105 3.960 3.871 0.089 1 1 1273 . 13 1 1 A 105 105 LEU C C 105 179.190 178.593 0.597 1 1 1274 . 13 1 1 A 105 105 LEU CA C 105 58.400 57.909 0.491 1 1 1275 . 13 1 1 A 105 105 LEU CB C 105 42.600 41.069 1.531 1 1 1279 . 13 1 1 A 105 105 LEU N N 105 120.100 120.282 -0.182 1 1 1280 . 13 1 1 A 106 106 ARG H H 106 8.490 8.302 0.188 1 1 1281 . 13 1 1 A 106 106 ARG HA H 106 3.550 3.932 -0.382 1 1 1288 . 13 1 1 A 106 106 ARG C C 106 175.240 178.435 -3.195 1 1 1289 . 13 1 1 A 106 106 ARG CA C 106 60.300 59.194 1.106 1 1 1290 . 13 1 1 A 106 106 ARG CB C 106 30.400 29.808 0.592 1 1 1293 . 13 1 1 A 106 106 ARG N N 106 117.300 119.668 -2.368 1 1 1294 . 13 1 1 A 107 107 HIS H H 107 7.870 7.978 -0.108 1 1 1295 . 13 1 1 A 107 107 HIS HA H 107 4.120 4.154 -0.034 1 1 1300 . 13 1 1 A 107 107 HIS C C 107 176.690 177.300 -0.610 1 1 1301 . 13 1 1 A 107 107 HIS CA C 107 60.300 59.033 1.267 1 1 1302 . 13 1 1 A 107 107 HIS CB C 107 31.100 29.816 1.284 1 1 1304 . 13 1 1 A 107 107 HIS N N 107 120.000 119.507 0.493 1 1 1306 . 13 1 1 A 108 108 VAL H H 108 8.190 8.771 -0.581 1 1 1307 . 13 1 1 A 108 108 VAL HA H 108 3.400 3.424 -0.024 1 1 1315 . 13 1 1 A 108 108 VAL C C 108 178.430 177.843 0.587 1 1 1316 . 13 1 1 A 108 108 VAL CA C 108 66.500 66.459 0.041 1 1 1317 . 13 1 1 A 108 108 VAL CB C 108 31.800 31.100 0.700 1 1 1320 . 13 1 1 A 108 108 VAL N N 108 118.980 119.552 -0.572 1 1 1321 . 13 1 1 A 109 109 MET H H 109 8.180 8.228 -0.048 1 1 1322 . 13 1 1 A 109 109 MET HA H 109 4.220 4.057 0.163 1 1 1330 . 13 1 1 A 109 109 MET C C 109 179.690 178.932 0.758 1 1 1331 . 13 1 1 A 109 109 MET CA C 109 57.300 58.836 -1.536 1 1 1332 . 13 1 1 A 109 109 MET CB C 109 29.700 32.523 -2.823 1 1 1335 . 13 1 1 A 109 109 MET N N 109 114.980 117.541 -2.561 1 1 1336 . 13 1 1 A 110 110 THR H H 110 8.220 7.906 0.314 1 1 1337 . 13 1 1 A 110 110 THR HA H 110 4.000 3.759 0.241 1 1 1342 . 13 1 1 A 110 110 THR C C 110 176.410 176.293 0.117 1 1 1343 . 13 1 1 A 110 110 THR CA C 110 67.100 67.046 0.054 1 1 1344 . 13 1 1 A 110 110 THR CB C 110 68.500 68.367 0.133 1 1 1346 . 13 1 1 A 110 110 THR N N 110 116.970 115.037 1.933 1 1 1347 . 13 1 1 A 111 111 ASN H H 111 7.780 7.676 0.104 1 1 1348 . 13 1 1 A 111 111 ASN HA H 111 4.320 4.493 -0.173 1 1 1353 . 13 1 1 A 111 111 ASN CA C 111 55.800 56.158 -0.358 1 1 1354 . 13 1 1 A 111 111 ASN CB C 111 38.200 37.949 0.251 1 1 1355 . 13 1 1 A 111 111 ASN N N 111 122.350 119.390 2.960 1 1 1357 . 13 1 1 A 112 112 LEU H H 112 7.480 7.359 0.121 1 1 1358 . 13 1 1 A 112 112 LEU HA H 112 4.210 4.279 -0.069 1 1 1368 . 13 1 1 A 112 112 LEU C C 112 178.710 177.085 1.625 1 1 1369 . 13 1 1 A 112 112 LEU CA C 112 55.100 55.219 -0.119 1 1 1370 . 13 1 1 A 112 112 LEU CB C 112 42.500 42.565 -0.065 1 1 1374 . 13 1 1 A 112 112 LEU N N 112 118.300 117.119 1.181 1 1 1375 . 13 1 1 A 113 113 GLY H H 113 7.740 7.902 -0.162 1 1 1376 . 13 1 1 A 113 113 GLY HA2 H 113 3.580 3.920 -0.340 1 1 1377 . 13 1 1 A 113 113 GLY HA3 H 113 4.140 3.931 0.209 1 1 1378 . 13 1 1 A 113 113 GLY C C 113 176.830 174.814 2.016 1 1 1379 . 13 1 1 A 113 113 GLY CA C 113 45.370 46.415 -1.045 1 1 1380 . 13 1 1 A 113 113 GLY N N 113 106.500 108.215 -1.715 1 1 1381 . 13 1 1 A 114 114 GLU H H 114 7.780 7.976 -0.196 1 1 1382 . 13 1 1 A 114 114 GLU HA H 114 4.240 4.216 0.024 1 1 1387 . 13 1 1 A 114 114 GLU C C 114 176.790 176.277 0.513 1 1 1388 . 13 1 1 A 114 114 GLU CA C 114 54.800 57.920 -3.120 1 1 1389 . 13 1 1 A 114 114 GLU CB C 114 29.900 30.239 -0.339 1 1 1391 . 13 1 1 A 114 114 GLU N N 114 119.300 121.338 -2.038 1 1 1392 . 13 1 1 A 115 115 LYS H H 115 8.540 7.986 0.554 1 1 1393 . 13 1 1 A 115 115 LYS HA H 115 4.270 3.940 0.330 1 1 1402 . 13 1 1 A 115 115 LYS C C 115 174.300 176.054 -1.754 1 1 1403 . 13 1 1 A 115 115 LYS CA C 115 55.500 57.137 -1.637 1 1 1404 . 13 1 1 A 115 115 LYS CB C 115 31.900 30.962 0.938 1 1 1408 . 13 1 1 A 115 115 LYS N N 115 125.000 119.836 5.164 1 1 1409 . 13 1 1 A 116 116 LEU H H 116 8.000 7.691 0.309 1 1 1410 . 13 1 1 A 116 116 LEU HA H 116 4.630 4.481 0.149 1 1 1420 . 13 1 1 A 116 116 LEU C C 116 175.060 176.755 -1.695 1 1 1421 . 13 1 1 A 116 116 LEU CA C 116 54.100 54.033 0.067 1 1 1422 . 13 1 1 A 116 116 LEU CB C 116 44.100 42.927 1.173 1 1 1426 . 13 1 1 A 116 116 LEU N N 116 123.620 116.194 7.426 1 1 1427 . 13 1 1 A 117 117 THR H H 117 9.140 8.753 0.387 1 1 1428 . 13 1 1 A 117 117 THR HA H 117 4.340 4.641 -0.301 1 1 1433 . 13 1 1 A 117 117 THR C C 117 175.610 175.312 0.298 1 1 1434 . 13 1 1 A 117 117 THR CA C 117 60.500 60.496 0.004 1 1 1435 . 13 1 1 A 117 117 THR CB C 117 71.100 71.449 -0.349 1 1 1437 . 13 1 1 A 117 117 THR N N 117 114.240 111.623 2.617 1 1 1438 . 13 1 1 A 118 118 ASP H H 118 8.820 8.979 -0.159 1 1 1439 . 13 1 1 A 118 118 ASP HA H 118 4.100 4.225 -0.125 1 1 1442 . 13 1 1 A 118 118 ASP C C 118 178.610 177.921 0.689 1 1 1443 . 13 1 1 A 118 118 ASP CA C 118 58.000 58.028 -0.028 1 1 1444 . 13 1 1 A 118 118 ASP CB C 118 39.700 41.319 -1.619 1 1 1445 . 13 1 1 A 118 118 ASP N N 118 120.660 121.839 -1.179 1 1 1446 . 13 1 1 A 119 119 GLU H H 119 8.450 8.335 0.115 1 1 1447 . 13 1 1 A 119 119 GLU HA H 119 3.960 3.962 -0.002 1 1 1452 . 13 1 1 A 119 119 GLU C C 119 175.620 179.485 -3.865 1 1 1453 . 13 1 1 A 119 119 GLU CA C 119 59.800 59.636 0.164 1 1 1454 . 13 1 1 A 119 119 GLU CB C 119 29.400 29.316 0.084 1 1 1456 . 13 1 1 A 119 119 GLU N N 119 118.790 117.956 0.834 1 1 1457 . 13 1 1 A 120 120 GLU H H 120 7.570 7.363 0.207 1 1 1458 . 13 1 1 A 120 120 GLU HA H 120 3.950 4.130 -0.180 1 1 1463 . 13 1 1 A 120 120 GLU C C 120 178.630 179.113 -0.483 1 1 1464 . 13 1 1 A 120 120 GLU CA C 120 59.600 58.830 0.770 1 1 1465 . 13 1 1 A 120 120 GLU CB C 120 29.400 29.135 0.265 1 1 1467 . 13 1 1 A 120 120 GLU N N 120 120.120 119.148 0.972 1 1 1468 . 13 1 1 A 121 121 VAL H H 121 7.750 7.940 -0.190 1 1 1469 . 13 1 1 A 121 121 VAL HA H 121 3.240 3.540 -0.300 1 1 1477 . 13 1 1 A 121 121 VAL C C 121 179.110 177.842 1.268 1 1 1478 . 13 1 1 A 121 121 VAL CA C 121 67.300 66.404 0.896 1 1 1479 . 13 1 1 A 121 121 VAL CB C 121 31.550 31.614 -0.064 1 1 1482 . 13 1 1 A 121 121 VAL N N 121 119.400 121.537 -2.137 1 1 1483 . 13 1 1 A 122 122 ASP H H 122 7.840 7.882 -0.042 1 1 1484 . 13 1 1 A 122 122 ASP HA H 122 4.260 4.327 -0.067 1 1 1487 . 13 1 1 A 122 122 ASP C C 122 178.890 178.269 0.621 1 1 1488 . 13 1 1 A 122 122 ASP CA C 122 57.700 57.499 0.201 1 1 1489 . 13 1 1 A 122 122 ASP CB C 122 40.200 41.023 -0.823 1 1 1490 . 13 1 1 A 122 122 ASP N N 122 118.550 120.238 -1.688 1 1 1491 . 13 1 1 A 123 123 GLU H H 123 8.110 8.341 -0.231 1 1 1492 . 13 1 1 A 123 123 GLU HA H 123 3.880 4.090 -0.210 1 1 1497 . 13 1 1 A 123 123 GLU C C 123 177.710 178.887 -1.177 1 1 1498 . 13 1 1 A 123 123 GLU CA C 123 59.600 59.384 0.216 1 1 1499 . 13 1 1 A 123 123 GLU CB C 123 29.400 29.110 0.290 1 1 1501 . 13 1 1 A 123 123 GLU N N 123 119.670 119.314 0.356 1 1 1502 . 13 1 1 A 124 124 MET H H 124 8.000 8.130 -0.130 1 1 1503 . 13 1 1 A 124 124 MET HA H 124 3.700 4.349 -0.649 1 1 1511 . 13 1 1 A 124 124 MET C C 124 179.020 178.891 0.129 1 1 1512 . 13 1 1 A 124 124 MET CA C 124 60.700 59.037 1.663 1 1 1513 . 13 1 1 A 124 124 MET CB C 124 33.200 32.953 0.247 1 1 1516 . 13 1 1 A 124 124 MET N N 124 118.100 118.731 -0.631 1 1 1517 . 13 1 1 A 125 125 ILE H H 125 8.220 7.786 0.434 1 1 1518 . 13 1 1 A 125 125 ILE HA H 125 3.610 3.603 0.007 1 1 1528 . 13 1 1 A 125 125 ILE C C 125 179.410 177.820 1.590 1 1 1529 . 13 1 1 A 125 125 ILE CA C 125 64.200 65.023 -0.823 1 1 1530 . 13 1 1 A 125 125 ILE CB C 125 36.000 37.831 -1.831 1 1 1534 . 13 1 1 A 125 125 ILE N N 125 121.400 119.559 1.841 1 1 1535 . 13 1 1 A 126 126 ARG H H 126 8.510 8.164 0.346 1 1 1536 . 13 1 1 A 126 126 ARG HA H 126 3.930 3.907 0.023 1 1 1543 . 13 1 1 A 126 126 ARG C C 126 178.070 179.012 -0.942 1 1 1544 . 13 1 1 A 126 126 ARG CA C 126 59.500 60.011 -0.511 1 1 1545 . 13 1 1 A 126 126 ARG CB C 126 30.300 29.895 0.405 1 1 1548 . 13 1 1 A 126 126 ARG N N 126 117.650 119.926 -2.276 1 1 1549 . 13 1 1 A 127 127 GLU H H 127 7.820 8.167 -0.347 1 1 1550 . 13 1 1 A 127 127 GLU HA H 127 3.880 4.029 -0.149 1 1 1555 . 13 1 1 A 127 127 GLU C C 127 180.080 178.201 1.879 1 1 1556 . 13 1 1 A 127 127 GLU CA C 127 58.300 59.266 -0.966 1 1 1557 . 13 1 1 A 127 127 GLU CB C 127 29.800 29.536 0.264 1 1 1559 . 13 1 1 A 127 127 GLU N N 127 115.300 119.890 -4.590 1 1 1560 . 13 1 1 A 128 128 ALA H H 128 6.960 7.192 -0.232 1 1 1561 . 13 1 1 A 128 128 ALA HA H 128 4.340 4.352 -0.012 1 1 1565 . 13 1 1 A 128 128 ALA C C 128 181.640 177.212 4.428 1 1 1566 . 13 1 1 A 128 128 ALA CA C 128 51.700 52.141 -0.441 1 1 1567 . 13 1 1 A 128 128 ALA CB C 128 22.400 20.171 2.229 1 1 1568 . 13 1 1 A 128 128 ALA N N 128 115.890 120.957 -5.067 1 1 1569 . 13 1 1 A 129 129 ASP H H 129 8.210 7.755 0.455 1 1 1570 . 13 1 1 A 129 129 ASP HA H 129 4.360 4.602 -0.242 1 1 1573 . 13 1 1 A 129 129 ASP C C 129 176.420 176.646 -0.226 1 1 1574 . 13 1 1 A 129 129 ASP CA C 129 54.300 54.063 0.237 1 1 1575 . 13 1 1 A 129 129 ASP CB C 129 40.400 40.811 -0.411 1 1 1576 . 13 1 1 A 129 129 ASP N N 129 117.100 118.324 -1.224 1 1 1577 . 13 1 1 A 130 130 ILE H H 130 8.250 9.203 -0.953 1 1 1578 . 13 1 1 A 130 130 ILE HA H 130 3.800 4.015 -0.215 1 1 1588 . 13 1 1 A 130 130 ILE C C 130 177.960 175.499 2.461 1 1 1589 . 13 1 1 A 130 130 ILE CA C 130 63.500 62.570 0.930 1 1 1590 . 13 1 1 A 130 130 ILE CB C 130 38.500 38.264 0.236 1 1 1594 . 13 1 1 A 130 130 ILE N N 130 127.900 127.712 0.188 1 1 1595 . 13 1 1 A 131 131 ASP H H 131 8.220 7.634 0.586 1 1 1596 . 13 1 1 A 131 131 ASP HA H 131 4.400 4.960 -0.560 1 1 1599 . 13 1 1 A 131 131 ASP C C 131 175.850 175.853 -0.003 1 1 1600 . 13 1 1 A 131 131 ASP CA C 131 53.800 52.539 1.261 1 1 1601 . 13 1 1 A 131 131 ASP CB C 131 39.900 44.270 -4.370 1 1 1602 . 13 1 1 A 131 131 ASP N N 131 116.250 117.272 -1.022 1 1 1603 . 13 1 1 A 132 132 GLY H H 132 7.520 9.098 -1.578 1 1 1604 . 13 1 1 A 132 132 GLY HA2 H 132 3.700 3.900 -0.200 1 1 1605 . 13 1 1 A 132 132 GLY HA3 H 132 3.900 3.905 -0.005 1 1 1606 . 13 1 1 A 132 132 GLY C C 132 177.820 175.069 2.751 1 1 1607 . 13 1 1 A 132 132 GLY CA C 132 47.400 47.247 0.153 1 1 1608 . 13 1 1 A 132 132 GLY N N 132 108.170 108.104 0.066 1 1 1609 . 13 1 1 A 133 133 ASP H H 133 8.240 8.393 -0.153 1 1 1610 . 13 1 1 A 133 133 ASP HA H 133 4.360 4.560 -0.200 1 1 1613 . 13 1 1 A 133 133 ASP C C 133 178.290 177.576 0.714 1 1 1614 . 13 1 1 A 133 133 ASP CA C 133 53.800 53.502 0.298 1 1 1615 . 13 1 1 A 133 133 ASP CB C 133 40.300 40.333 -0.033 1 1 1616 . 13 1 1 A 133 133 ASP N N 133 120.370 120.275 0.095 1 1 1617 . 13 1 1 A 134 134 GLY H H 134 10.140 9.466 0.674 1 1 1618 . 13 1 1 A 134 134 GLY HA2 H 134 3.300 3.841 -0.541 1 1 1619 . 13 1 1 A 134 134 GLY HA3 H 134 3.930 3.852 0.078 1 1 1620 . 13 1 1 A 134 134 GLY C C 134 175.350 173.240 2.110 1 1 1621 . 13 1 1 A 134 134 GLY CA C 134 45.900 45.636 0.264 1 1 1622 . 13 1 1 A 134 134 GLY N N 134 112.150 111.319 0.831 1 1 1623 . 13 1 1 A 135 135 GLN H H 135 7.910 8.129 -0.219 1 1 1624 . 13 1 1 A 135 135 GLN HA H 135 4.870 5.006 -0.136 1 1 1631 . 13 1 1 A 135 135 GLN C C 135 177.620 174.606 3.014 1 1 1632 . 13 1 1 A 135 135 GLN CA C 135 53.300 53.665 -0.365 1 1 1633 . 13 1 1 A 135 135 GLN CB C 135 33.000 32.659 0.341 1 1 1635 . 13 1 1 A 135 135 GLN N N 135 114.700 118.568 -3.868 1 1 1637 . 13 1 1 A 136 136 VAL H H 136 9.070 8.894 0.176 1 1 1638 . 13 1 1 A 136 136 VAL HA H 136 5.110 5.041 0.069 1 1 1646 . 13 1 1 A 136 136 VAL C C 136 172.750 175.510 -2.760 1 1 1647 . 13 1 1 A 136 136 VAL CA C 136 61.800 61.741 0.059 1 1 1648 . 13 1 1 A 136 136 VAL CB C 136 34.100 32.983 1.117 1 1 1651 . 13 1 1 A 136 136 VAL N N 136 124.900 122.489 2.411 1 1 1652 . 13 1 1 A 137 137 ASN H H 137 9.450 8.833 0.617 1 1 1653 . 13 1 1 A 137 137 ASN HA H 137 5.240 4.869 0.371 1 1 1658 . 13 1 1 A 137 137 ASN CA C 137 51.400 52.212 -0.812 1 1 1659 . 13 1 1 A 137 137 ASN CB C 137 40.000 40.199 -0.199 1 1 1660 . 13 1 1 A 137 137 ASN N N 137 128.840 126.492 2.348 1 1 1662 . 13 1 1 A 138 138 TYR H H 138 8.330 8.776 -0.446 1 1 1663 . 13 1 1 A 138 138 TYR HA H 138 3.240 4.236 -0.996 1 1 1670 . 13 1 1 A 138 138 TYR C C 138 180.030 177.121 2.909 1 1 1671 . 13 1 1 A 138 138 TYR CA C 138 62.400 62.290 0.110 1 1 1672 . 13 1 1 A 138 138 TYR CB C 138 38.000 38.478 -0.478 1 1 1677 . 13 1 1 A 138 138 TYR N N 138 118.150 125.969 -7.819 1 1 1678 . 13 1 1 A 139 139 GLU H H 139 7.990 8.238 -0.248 1 1 1679 . 13 1 1 A 139 139 GLU HA H 139 3.520 3.817 -0.297 1 1 1684 . 13 1 1 A 139 139 GLU C C 139 179.170 179.211 -0.041 1 1 1685 . 13 1 1 A 139 139 GLU CA C 139 60.550 60.077 0.473 1 1 1686 . 13 1 1 A 139 139 GLU CB C 139 29.100 29.584 -0.484 1 1 1688 . 13 1 1 A 139 139 GLU N N 139 118.100 117.934 0.166 1 1 1689 . 13 1 1 A 140 140 GLU H H 140 8.640 8.126 0.514 1 1 1690 . 13 1 1 A 140 140 GLU HA H 140 3.780 4.066 -0.286 1 1 1695 . 13 1 1 A 140 140 GLU C C 140 181.440 178.997 2.443 1 1 1696 . 13 1 1 A 140 140 GLU CA C 140 58.800 59.142 -0.342 1 1 1697 . 13 1 1 A 140 140 GLU CB C 140 29.200 29.633 -0.433 1 1 1699 . 13 1 1 A 140 140 GLU N N 140 119.300 120.348 -1.048 1 1 1700 . 13 1 1 A 141 141 PHE H H 141 8.470 8.163 0.307 1 1 1701 . 13 1 1 A 141 141 PHE HA H 141 3.380 3.854 -0.474 1 1 1709 . 13 1 1 A 141 141 PHE C C 141 178.980 176.754 2.226 1 1 1710 . 13 1 1 A 141 141 PHE CA C 141 61.900 61.361 0.539 1 1 1711 . 13 1 1 A 141 141 PHE CB C 141 40.200 39.285 0.915 1 1 1717 . 13 1 1 A 141 141 PHE N N 141 123.640 121.715 1.925 1 1 1718 . 13 1 1 A 142 142 VAL H H 142 8.510 8.084 0.426 1 1 1719 . 13 1 1 A 142 142 VAL HA H 142 3.000 3.341 -0.341 1 1 1727 . 13 1 1 A 142 142 VAL C C 142 176.540 177.630 -1.090 1 1 1728 . 13 1 1 A 142 142 VAL CA C 142 66.900 66.370 0.530 1 1 1729 . 13 1 1 A 142 142 VAL CB C 142 31.450 31.387 0.063 1 1 1732 . 13 1 1 A 142 142 VAL N N 142 118.330 118.865 -0.535 1 1 1733 . 13 1 1 A 143 143 GLN H H 143 7.520 8.129 -0.609 1 1 1734 . 13 1 1 A 143 143 GLN HA H 143 3.750 3.921 -0.171 1 1 1741 . 13 1 1 A 143 143 GLN C C 143 176.630 178.269 -1.639 1 1 1742 . 13 1 1 A 143 143 GLN CA C 143 58.900 59.239 -0.339 1 1 1743 . 13 1 1 A 143 143 GLN CB C 143 28.200 28.018 0.182 1 1 1745 . 13 1 1 A 143 143 GLN N N 143 118.100 119.429 -1.329 1 1 1747 . 13 1 1 A 144 144 MET H H 144 7.250 7.779 -0.529 1 1 1748 . 13 1 1 A 144 144 MET HA H 144 4.090 4.192 -0.102 1 1 1756 . 13 1 1 A 144 144 MET C C 144 179.340 178.679 0.661 1 1 1757 . 13 1 1 A 144 144 MET CA C 144 56.750 57.871 -1.121 1 1 1758 . 13 1 1 A 144 144 MET CB C 144 30.800 32.444 -1.644 1 1 1761 . 13 1 1 A 144 144 MET N N 144 117.300 117.826 -0.526 1 1 1762 . 13 1 1 A 145 145 MET H H 145 7.460 7.845 -0.385 1 1 1763 . 13 1 1 A 145 145 MET HA H 145 3.900 4.011 -0.111 1 1 1771 . 13 1 1 A 145 145 MET C C 145 178.110 177.511 0.599 1 1 1772 . 13 1 1 A 145 145 MET CA C 145 56.800 57.994 -1.194 1 1 1773 . 13 1 1 A 145 145 MET CB C 145 31.800 33.690 -1.890 1 1 1776 . 13 1 1 A 145 145 MET N N 145 114.350 118.418 -4.068 1 1 1777 . 13 1 1 A 146 146 THR H H 146 7.560 8.119 -0.559 1 1 1778 . 13 1 1 A 146 146 THR HA H 146 4.220 4.523 -0.303 1 1 1783 . 13 1 1 A 146 146 THR C C 146 177.440 174.950 2.490 1 1 1784 . 13 1 1 A 146 146 THR CA C 146 62.650 61.295 1.355 1 1 1785 . 13 1 1 A 146 146 THR CB C 146 69.700 68.445 1.255 1 1 1787 . 13 1 1 A 146 146 THR N N 146 109.350 114.142 -4.792 1 1 1788 . 13 1 1 A 147 147 ALA H H 147 7.420 7.959 -0.539 1 1 1789 . 13 1 1 A 147 147 ALA HA H 147 4.170 3.985 0.185 1 1 1793 . 13 1 1 A 147 147 ALA C C 147 177.480 177.331 0.149 1 1 1794 . 13 1 1 A 147 147 ALA CA C 147 52.900 55.201 -2.301 1 1 1795 . 13 1 1 A 147 147 ALA CB C 147 19.200 18.904 0.296 1 1 1796 . 13 1 1 A 147 147 ALA N N 147 125.650 125.257 0.393 1 1 1814 . 13 2 2 B 1 1 ARG H H 1088 8.270 8.828 -0.558 1 1 1815 . 13 2 2 B 1 1 ARG HA H 1088 3.860 4.147 -0.287 1 1 1822 . 13 2 2 B 1 1 ARG CA C 1088 59.900 57.990 1.910 1 1 1823 . 13 2 2 B 1 1 ARG CB C 1088 29.900 30.406 -0.506 1 1 1826 . 13 2 2 B 1 1 ARG N N 1088 117.300 120.345 -3.045 1 1 1827 . 13 2 2 B 2 2 GLY H H 1089 9.370 8.322 1.048 1 1 1828 . 13 2 2 B 2 2 GLY HA2 H 1089 3.520 4.009 -0.489 1 1 1829 . 13 2 2 B 2 2 GLY HA3 H 1089 3.730 4.025 -0.295 1 1 1830 . 13 2 2 B 2 2 GLY C C 1089 176.650 175.755 0.895 1 1 1831 . 13 2 2 B 2 2 GLY CA C 1089 47.200 46.372 0.828 1 1 1832 . 13 2 2 B 2 2 GLY N N 1089 105.000 107.395 -2.395 1 1 1833 . 13 2 2 B 3 3 GLN H H 1090 6.980 7.918 -0.938 1 1 1834 . 13 2 2 B 3 3 GLN HA H 1090 3.830 4.186 -0.356 1 1 1841 . 13 2 2 B 3 3 GLN C C 1090 177.680 178.697 -1.017 1 1 1842 . 13 2 2 B 3 3 GLN CA C 1090 59.100 58.750 0.350 1 1 1843 . 13 2 2 B 3 3 GLN CB C 1090 29.800 28.414 1.386 1 1 1845 . 13 2 2 B 3 3 GLN N N 1090 117.350 119.395 -2.045 1 1 1847 . 13 2 2 B 4 4 ILE H H 1091 7.760 7.735 0.025 1 1 1848 . 13 2 2 B 4 4 ILE HA H 1091 3.480 3.722 -0.242 1 1 1858 . 13 2 2 B 4 4 ILE C C 1091 175.070 178.227 -3.157 1 1 1859 . 13 2 2 B 4 4 ILE CA C 1091 65.600 65.728 -0.128 1 1 1860 . 13 2 2 B 4 4 ILE CB C 1091 38.000 38.253 -0.253 1 1 1864 . 13 2 2 B 4 4 ILE N N 1091 119.650 121.206 -1.556 1 1 1865 . 13 2 2 B 5 5 LEU H H 1092 7.830 8.304 -0.474 1 1 1866 . 13 2 2 B 5 5 LEU HA H 1092 3.820 4.000 -0.180 1 1 1876 . 13 2 2 B 5 5 LEU C C 1092 176.220 178.490 -2.270 1 1 1877 . 13 2 2 B 5 5 LEU CA C 1092 58.250 58.640 -0.390 1 1 1878 . 13 2 2 B 5 5 LEU CB C 1092 41.700 42.070 -0.370 1 1 1882 . 13 2 2 B 5 5 LEU N N 1092 119.200 121.061 -1.861 1 1 1883 . 13 2 2 B 6 6 TRP H H 1093 7.650 8.205 -0.555 1 1 1884 . 13 2 2 B 6 6 TRP HA H 1093 4.120 4.327 -0.207 1 1 1893 . 13 2 2 B 6 6 TRP C C 1093 178.490 179.076 -0.586 1 1 1894 . 13 2 2 B 6 6 TRP CA C 1093 61.100 60.215 0.885 1 1 1895 . 13 2 2 B 6 6 TRP CB C 1093 30.000 29.487 0.513 1 1 1901 . 13 2 2 B 6 6 TRP N N 1093 119.200 119.710 -0.510 1 1 1903 . 13 2 2 B 7 7 PHE H H 1094 8.400 8.382 0.018 1 1 1904 . 13 2 2 B 7 7 PHE HA H 1094 4.390 4.171 0.219 1 1 1912 . 13 2 2 B 7 7 PHE C C 1094 178.840 177.819 1.021 1 1 1913 . 13 2 2 B 7 7 PHE CA C 1094 59.700 61.921 -2.221 1 1 1914 . 13 2 2 B 7 7 PHE CB C 1094 37.000 39.151 -2.151 1 1 1919 . 13 2 2 B 7 7 PHE N N 1094 117.800 119.657 -1.857 1 1 1920 . 13 2 2 B 8 8 ARG H H 1095 8.360 8.137 0.223 1 1 1921 . 13 2 2 B 8 8 ARG HA H 1095 4.140 4.146 -0.006 1 1 1928 . 13 2 2 B 8 8 ARG C C 1095 178.290 179.131 -0.841 1 1 1929 . 13 2 2 B 8 8 ARG CA C 1095 59.600 59.819 -0.219 1 1 1930 . 13 2 2 B 8 8 ARG CB C 1095 30.500 30.265 0.235 1 1 1933 . 13 2 2 B 8 8 ARG N N 1095 120.800 117.746 3.054 1 1 1934 . 13 2 2 B 9 9 GLY H H 1096 8.330 8.300 0.030 1 1 1935 . 13 2 2 B 9 9 GLY HA2 H 1096 3.560 3.640 -0.080 1 1 1936 . 13 2 2 B 9 9 GLY HA3 H 1096 3.720 3.673 0.047 1 1 1937 . 13 2 2 B 9 9 GLY C C 1096 178.010 175.611 2.399 1 1 1938 . 13 2 2 B 9 9 GLY CA C 1096 47.200 47.361 -0.161 1 1 1939 . 13 2 2 B 9 9 GLY N N 1096 106.400 107.234 -0.834 1 1 1940 . 13 2 2 B 10 10 LEU H H 1097 9.090 8.317 0.773 1 1 1941 . 13 2 2 B 10 10 LEU HA H 1097 4.150 3.995 0.155 1 1 1951 . 13 2 2 B 10 10 LEU C C 1097 178.820 178.561 0.259 1 1 1952 . 13 2 2 B 10 10 LEU CA C 1097 58.500 57.316 1.184 1 1 1953 . 13 2 2 B 10 10 LEU CB C 1097 41.600 41.093 0.507 1 1 1957 . 13 2 2 B 10 10 LEU N N 1097 120.900 122.740 -1.840 1 1 1958 . 13 2 2 B 11 11 ASN H H 1098 8.380 8.477 -0.097 1 1 1959 . 13 2 2 B 11 11 ASN HA H 1098 4.440 4.559 -0.119 1 1 1964 . 13 2 2 B 11 11 ASN CA C 1098 56.700 56.709 -0.009 1 1 1965 . 13 2 2 B 11 11 ASN CB C 1098 38.700 37.943 0.757 1 1 1966 . 13 2 2 B 11 11 ASN N N 1098 116.900 116.058 0.842 1 1 1968 . 13 2 2 B 12 12 ARG H H 1099 7.900 7.642 0.258 1 1 1969 . 13 2 2 B 12 12 ARG HA H 1099 3.980 4.119 -0.139 1 1 1976 . 13 2 2 B 12 12 ARG C C 1099 178.360 178.360 0.000 1 1 1977 . 13 2 2 B 12 12 ARG CA C 1099 60.200 59.157 1.043 1 1 1978 . 13 2 2 B 12 12 ARG CB C 1099 32.600 30.051 2.549 1 1 1981 . 13 2 2 B 12 12 ARG N N 1099 120.100 119.007 1.093 1 1 1982 . 13 2 2 B 13 13 ILE H H 1100 8.230 8.114 0.116 1 1 1983 . 13 2 2 B 13 13 ILE HA H 1100 3.840 3.645 0.195 1 1 1993 . 13 2 2 B 13 13 ILE C C 1100 178.110 178.012 0.098 1 1 1994 . 13 2 2 B 13 13 ILE CA C 1100 63.800 65.412 -1.612 1 1 1995 . 13 2 2 B 13 13 ILE CB C 1100 37.300 37.630 -0.330 1 1 1999 . 13 2 2 B 13 13 ILE N N 1100 120.350 120.813 -0.463 1 1 2000 . 13 2 2 B 14 14 GLN H H 1101 8.830 7.784 1.046 1 1 2001 . 13 2 2 B 14 14 GLN HA H 1101 3.990 3.955 0.035 1 1 2008 . 13 2 2 B 14 14 GLN C C 1101 177.860 178.688 -0.828 1 1 2009 . 13 2 2 B 14 14 GLN CA C 1101 60.000 58.950 1.050 1 1 2010 . 13 2 2 B 14 14 GLN CB C 1101 28.800 28.485 0.315 1 1 2012 . 13 2 2 B 14 14 GLN N N 1101 118.700 117.986 0.714 1 1 2014 . 13 2 2 B 15 15 THR H H 1102 8.140 7.750 0.390 1 1 2015 . 13 2 2 B 15 15 THR HA H 1102 3.890 3.789 0.101 1 1 2020 . 13 2 2 B 15 15 THR C C 1102 177.470 176.410 1.060 1 1 2021 . 13 2 2 B 15 15 THR CA C 1102 67.400 67.567 -0.167 1 1 2022 . 13 2 2 B 15 15 THR CB C 1102 70.300 68.508 1.792 1 1 2024 . 13 2 2 B 15 15 THR N N 1102 117.500 117.564 -0.064 1 1 2025 . 13 2 2 B 16 16 GLN H H 1103 8.320 8.392 -0.072 1 1 2026 . 13 2 2 B 16 16 GLN HA H 1103 4.100 3.955 0.145 1 1 2033 . 13 2 2 B 16 16 GLN C C 1103 178.890 178.086 0.804 1 1 2034 . 13 2 2 B 16 16 GLN CA C 1103 60.600 59.003 1.597 1 1 2035 . 13 2 2 B 16 16 GLN CB C 1103 30.500 28.734 1.766 1 1 2037 . 13 2 2 B 16 16 GLN N N 1103 120.650 118.893 1.757 1 1 2039 . 13 2 2 B 17 17 ILE H H 1104 8.690 8.120 0.570 1 1 2040 . 13 2 2 B 17 17 ILE HA H 1104 3.470 3.966 -0.496 1 1 2050 . 13 2 2 B 17 17 ILE C C 1104 175.230 177.787 -2.557 1 1 2051 . 13 2 2 B 17 17 ILE CA C 1104 66.150 63.689 2.461 1 1 2052 . 13 2 2 B 17 17 ILE CB C 1104 38.300 37.491 0.809 1 1 2056 . 13 2 2 B 17 17 ILE N N 1104 119.400 116.692 2.708 1 1 2057 . 13 2 2 B 18 18 LYS H H 1105 7.950 8.158 -0.208 1 1 2058 . 13 2 2 B 18 18 LYS HA H 1105 3.900 3.991 -0.091 1 1 2067 . 13 2 2 B 18 18 LYS C C 1105 177.660 178.604 -0.944 1 1 2068 . 13 2 2 B 18 18 LYS CA C 1105 60.050 59.793 0.257 1 1 2069 . 13 2 2 B 18 18 LYS CB C 1105 32.700 32.189 0.511 1 1 2073 . 13 2 2 B 18 18 LYS N N 1105 120.280 121.949 -1.669 1 1 2074 . 13 2 2 B 19 19 VAL H H 1106 8.280 8.318 -0.038 1 1 2075 . 13 2 2 B 19 19 VAL HA H 1106 3.430 3.805 -0.375 1 1 2083 . 13 2 2 B 19 19 VAL C C 1106 177.660 178.371 -0.711 1 1 2084 . 13 2 2 B 19 19 VAL CA C 1106 65.900 66.615 -0.715 1 1 2085 . 13 2 2 B 19 19 VAL CB C 1106 31.400 31.720 -0.320 1 1 2088 . 13 2 2 B 19 19 VAL N N 1106 120.660 119.479 1.181 1 1 2089 . 13 2 2 B 20 20 VAL H H 1107 8.420 8.027 0.393 1 1 2090 . 13 2 2 B 20 20 VAL HA H 1107 3.580 3.929 -0.349 1 1 2098 . 13 2 2 B 20 20 VAL C C 1107 178.930 178.372 0.558 1 1 2099 . 13 2 2 B 20 20 VAL CA C 1107 68.390 65.966 2.424 1 1 2100 . 13 2 2 B 20 20 VAL CB C 1107 31.200 31.457 -0.257 1 1 2103 . 13 2 2 B 20 20 VAL N N 1107 119.990 116.495 3.495 1 1 2104 . 13 2 2 B 21 21 LYS H H 1108 8.300 8.228 0.072 1 1 2105 . 13 2 2 B 21 21 LYS HA H 1108 4.050 4.062 -0.012 1 1 2114 . 13 2 2 B 21 21 LYS C C 1108 177.230 178.866 -1.636 1 1 2115 . 13 2 2 B 21 21 LYS CA C 1108 59.980 59.788 0.192 1 1 2116 . 13 2 2 B 21 21 LYS CB C 1108 32.400 32.209 0.191 1 1 2120 . 13 2 2 B 21 21 LYS N N 1108 119.290 122.138 -2.848 1 1 2121 . 13 2 2 B 22 22 ALA H H 1109 7.690 8.094 -0.404 1 1 2122 . 13 2 2 B 22 22 ALA HA H 1109 3.900 4.178 -0.278 1 1 2126 . 13 2 2 B 22 22 ALA C C 1109 178.200 179.623 -1.423 1 1 2127 . 13 2 2 B 22 22 ALA CA C 1109 54.950 55.273 -0.323 1 1 2128 . 13 2 2 B 22 22 ALA CB C 1109 22.000 18.805 3.195 1 1 2129 . 13 2 2 B 22 22 ALA N N 1109 123.910 122.240 1.670 1 1 2130 . 13 2 2 B 23 23 PHE H H 1110 7.920 8.281 -0.361 1 1 2131 . 13 2 2 B 23 23 PHE HA H 1110 4.120 4.301 -0.181 1 1 2139 . 13 2 2 B 23 23 PHE C C 1110 178.840 178.483 0.357 1 1 2140 . 13 2 2 B 23 23 PHE CA C 1110 61.260 60.841 0.419 1 1 2141 . 13 2 2 B 23 23 PHE CB C 1110 40.200 39.018 1.182 1 1 2147 . 13 2 2 B 23 23 PHE N N 1110 118.200 115.688 2.512 1 1 2148 . 13 2 2 B 24 24 HIS H H 1111 7.960 8.059 -0.099 1 1 2149 . 13 2 2 B 24 24 HIS HA H 1111 4.530 4.322 0.208 1 1 2155 . 13 2 2 B 24 24 HIS C C 1111 178.710 175.106 3.604 1 1 2156 . 13 2 2 B 24 24 HIS CA C 1111 57.200 60.004 -2.804 1 1 2157 . 13 2 2 B 24 24 HIS CB C 1111 30.200 30.345 -0.145 1 1 2160 . 13 2 2 B 24 24 HIS N N 1111 117.760 119.918 -2.158 1 1 2162 . 13 2 2 B 25 25 SER H H 1112 7.980 8.436 -0.456 1 1 2163 . 13 2 2 B 25 25 SER HA H 1112 4.340 4.039 0.301 1 1 2166 . 13 2 2 B 25 25 SER C C 1112 177.230 174.652 2.578 1 1 2167 . 13 2 2 B 25 25 SER CA C 1112 58.570 59.000 -0.430 1 1 2168 . 13 2 2 B 25 25 SER CB C 1112 63.800 61.418 2.382 1 1 2169 . 13 2 2 B 25 25 SER N N 1112 116.970 114.868 2.102 1 1 9 . 14 1 1 A 2 2 ASP H H 2 8.220 8.617 -0.397 1 1 10 . 14 1 1 A 2 2 ASP HA H 2 4.500 4.527 -0.027 1 1 13 . 14 1 1 A 2 2 ASP CA C 2 54.750 56.278 -1.528 1 1 14 . 14 1 1 A 2 2 ASP CB C 2 41.350 40.999 0.351 1 1 15 . 14 1 1 A 2 2 ASP N N 2 121.760 123.526 -1.766 1 1 16 . 14 1 1 A 3 3 GLN H H 3 8.320 7.698 0.622 1 1 17 . 14 1 1 A 3 3 GLN HA H 3 4.240 4.850 -0.610 1 1 24 . 14 1 1 A 3 3 GLN CA C 3 55.750 54.631 1.119 1 1 25 . 14 1 1 A 3 3 GLN CB C 3 29.700 28.270 1.430 1 1 27 . 14 1 1 A 3 3 GLN N N 3 119.800 119.000 0.800 1 1 29 . 14 1 1 A 4 4 LEU H H 4 8.250 8.655 -0.405 1 1 30 . 14 1 1 A 4 4 LEU HA H 4 4.540 4.499 0.041 1 1 40 . 14 1 1 A 4 4 LEU C C 4 175.740 176.687 -0.947 1 1 41 . 14 1 1 A 4 4 LEU CA C 4 54.600 54.479 0.121 1 1 42 . 14 1 1 A 4 4 LEU CB C 4 43.600 42.892 0.708 1 1 46 . 14 1 1 A 4 4 LEU N N 4 123.100 126.214 -3.114 1 1 47 . 14 1 1 A 5 5 THR H H 5 8.680 7.458 1.222 1 1 48 . 14 1 1 A 5 5 THR HA H 5 4.350 4.328 0.022 1 1 53 . 14 1 1 A 5 5 THR C C 5 175.750 175.332 0.418 1 1 54 . 14 1 1 A 5 5 THR CA C 5 60.500 60.905 -0.405 1 1 55 . 14 1 1 A 5 5 THR CB C 5 71.100 70.225 0.875 1 1 57 . 14 1 1 A 5 5 THR N N 5 112.700 111.464 1.236 1 1 58 . 14 1 1 A 6 6 GLU H H 6 8.950 8.961 -0.011 1 1 59 . 14 1 1 A 6 6 GLU HA H 6 3.880 3.928 -0.048 1 1 64 . 14 1 1 A 6 6 GLU C C 6 177.790 178.419 -0.629 1 1 65 . 14 1 1 A 6 6 GLU CA C 6 60.200 60.050 0.150 1 1 66 . 14 1 1 A 6 6 GLU CB C 6 29.300 29.494 -0.194 1 1 68 . 14 1 1 A 6 6 GLU N N 6 119.950 123.256 -3.306 1 1 69 . 14 1 1 A 7 7 GLU H H 7 8.660 8.084 0.576 1 1 70 . 14 1 1 A 7 7 GLU HA H 7 3.940 4.011 -0.071 1 1 75 . 14 1 1 A 7 7 GLU C C 7 175.460 178.859 -3.399 1 1 76 . 14 1 1 A 7 7 GLU CA C 7 60.200 59.748 0.452 1 1 77 . 14 1 1 A 7 7 GLU CB C 7 29.100 29.383 -0.283 1 1 79 . 14 1 1 A 7 7 GLU N N 7 119.250 119.010 0.240 1 1 80 . 14 1 1 A 8 8 GLN H H 8 7.670 7.627 0.043 1 1 81 . 14 1 1 A 8 8 GLN HA H 8 3.760 4.200 -0.440 1 1 88 . 14 1 1 A 8 8 GLN C C 8 179.600 179.078 0.522 1 1 89 . 14 1 1 A 8 8 GLN CA C 8 58.800 58.650 0.150 1 1 90 . 14 1 1 A 8 8 GLN CB C 8 29.300 28.634 0.666 1 1 92 . 14 1 1 A 8 8 GLN N N 8 120.000 118.476 1.524 1 1 94 . 14 1 1 A 9 9 ILE H H 9 8.280 8.675 -0.395 1 1 95 . 14 1 1 A 9 9 ILE HA H 9 3.580 3.780 -0.200 1 1 105 . 14 1 1 A 9 9 ILE C C 9 179.270 177.955 1.315 1 1 106 . 14 1 1 A 9 9 ILE CA C 9 66.400 65.711 0.689 1 1 107 . 14 1 1 A 9 9 ILE CB C 9 38.100 37.886 0.214 1 1 111 . 14 1 1 A 9 9 ILE N N 9 119.400 121.209 -1.809 1 1 112 . 14 1 1 A 10 10 ALA H H 10 7.950 8.198 -0.248 1 1 113 . 14 1 1 A 10 10 ALA HA H 10 4.020 4.026 -0.006 1 1 117 . 14 1 1 A 10 10 ALA C C 10 178.490 179.244 -0.754 1 1 118 . 14 1 1 A 10 10 ALA CA C 10 55.400 55.899 -0.499 1 1 119 . 14 1 1 A 10 10 ALA CB C 10 17.950 18.270 -0.320 1 1 120 . 14 1 1 A 10 10 ALA N N 10 121.000 122.461 -1.461 1 1 121 . 14 1 1 A 11 11 GLU H H 11 7.730 8.122 -0.392 1 1 122 . 14 1 1 A 11 11 GLU HA H 11 4.030 4.054 -0.024 1 1 127 . 14 1 1 A 11 11 GLU C C 11 177.860 179.174 -1.314 1 1 128 . 14 1 1 A 11 11 GLU CA C 11 59.500 59.407 0.093 1 1 129 . 14 1 1 A 11 11 GLU CB C 11 29.500 29.557 -0.057 1 1 131 . 14 1 1 A 11 11 GLU N N 11 119.700 118.530 1.170 1 1 132 . 14 1 1 A 12 12 PHE H H 12 8.470 8.444 0.026 1 1 133 . 14 1 1 A 12 12 PHE HA H 12 4.910 4.321 0.589 1 1 141 . 14 1 1 A 12 12 PHE C C 12 181.140 178.079 3.061 1 1 142 . 14 1 1 A 12 12 PHE CA C 12 59.200 61.233 -2.033 1 1 143 . 14 1 1 A 12 12 PHE CB C 12 37.700 38.629 -0.929 1 1 149 . 14 1 1 A 12 12 PHE N N 12 119.900 119.400 0.500 1 1 150 . 14 1 1 A 13 13 LYS H H 13 9.180 8.639 0.541 1 1 151 . 14 1 1 A 13 13 LYS HA H 13 3.860 3.771 0.089 1 1 160 . 14 1 1 A 13 13 LYS C C 13 180.730 178.613 2.117 1 1 161 . 14 1 1 A 13 13 LYS CA C 13 60.300 60.061 0.239 1 1 162 . 14 1 1 A 13 13 LYS CB C 13 31.900 32.560 -0.660 1 1 166 . 14 1 1 A 13 13 LYS N N 13 124.000 120.313 3.687 1 1 167 . 14 1 1 A 14 14 GLU H H 14 7.770 8.056 -0.286 1 1 168 . 14 1 1 A 14 14 GLU HA H 14 4.050 4.036 0.014 1 1 173 . 14 1 1 A 14 14 GLU C C 14 178.750 178.939 -0.189 1 1 174 . 14 1 1 A 14 14 GLU CA C 14 59.300 59.467 -0.167 1 1 175 . 14 1 1 A 14 14 GLU CB C 14 29.300 29.353 -0.053 1 1 177 . 14 1 1 A 14 14 GLU N N 14 120.060 118.718 1.342 1 1 178 . 14 1 1 A 15 15 ALA H H 15 8.020 7.471 0.549 1 1 179 . 14 1 1 A 15 15 ALA HA H 15 4.110 4.064 0.046 1 1 183 . 14 1 1 A 15 15 ALA C C 15 179.220 179.797 -0.577 1 1 184 . 14 1 1 A 15 15 ALA CA C 15 55.900 54.844 1.056 1 1 185 . 14 1 1 A 15 15 ALA CB C 15 18.430 18.007 0.423 1 1 186 . 14 1 1 A 15 15 ALA N N 15 121.660 122.477 -0.817 1 1 187 . 14 1 1 A 16 16 PHE H H 16 8.700 8.101 0.599 1 1 188 . 14 1 1 A 16 16 PHE HA H 16 3.190 3.714 -0.524 1 1 196 . 14 1 1 A 16 16 PHE C C 16 176.350 178.500 -2.150 1 1 197 . 14 1 1 A 16 16 PHE CA C 16 62.300 59.813 2.487 1 1 198 . 14 1 1 A 16 16 PHE CB C 16 39.800 37.856 1.944 1 1 204 . 14 1 1 A 16 16 PHE N N 16 118.400 116.455 1.945 1 1 205 . 14 1 1 A 17 17 SER H H 17 8.040 7.920 0.120 1 1 206 . 14 1 1 A 17 17 SER HA H 17 4.110 4.155 -0.045 1 1 209 . 14 1 1 A 17 17 SER C C 17 178.820 176.636 2.184 1 1 210 . 14 1 1 A 17 17 SER CA C 17 61.600 61.502 0.098 1 1 211 . 14 1 1 A 17 17 SER CB C 17 63.200 62.876 0.324 1 1 212 . 14 1 1 A 17 17 SER N N 17 114.290 116.433 -2.143 1 1 213 . 14 1 1 A 18 18 LEU H H 18 7.440 7.752 -0.312 1 1 214 . 14 1 1 A 18 18 LEU HA H 18 3.970 3.933 0.037 1 1 224 . 14 1 1 A 18 18 LEU C C 18 178.630 178.146 0.484 1 1 225 . 14 1 1 A 18 18 LEU CA C 18 56.800 57.811 -1.011 1 1 226 . 14 1 1 A 18 18 LEU CB C 18 42.600 41.453 1.147 1 1 230 . 14 1 1 A 18 18 LEU N N 18 118.200 124.368 -6.168 1 1 231 . 14 1 1 A 19 19 PHE H H 19 7.330 6.506 0.824 1 1 232 . 14 1 1 A 19 19 PHE HA H 19 3.950 4.654 -0.704 1 1 240 . 14 1 1 A 19 19 PHE C C 19 174.460 175.252 -0.792 1 1 241 . 14 1 1 A 19 19 PHE CA C 19 59.300 56.979 2.321 1 1 242 . 14 1 1 A 19 19 PHE CB C 19 41.800 39.711 2.089 1 1 248 . 14 1 1 A 19 19 PHE N N 19 114.900 113.437 1.463 1 1 249 . 14 1 1 A 20 20 ASP H H 20 7.780 7.133 0.647 1 1 250 . 14 1 1 A 20 20 ASP HA H 20 4.480 5.129 -0.649 1 1 253 . 14 1 1 A 20 20 ASP C C 20 176.700 175.840 0.860 1 1 254 . 14 1 1 A 20 20 ASP CA C 20 52.400 53.652 -1.252 1 1 255 . 14 1 1 A 20 20 ASP CB C 20 39.400 39.385 0.015 1 1 256 . 14 1 1 A 20 20 ASP N N 20 117.700 122.286 -4.586 1 1 257 . 14 1 1 A 21 21 LYS H H 21 7.480 8.024 -0.544 1 1 258 . 14 1 1 A 21 21 LYS HA H 21 3.840 4.104 -0.264 1 1 267 . 14 1 1 A 21 21 LYS C C 21 175.550 177.667 -2.117 1 1 268 . 14 1 1 A 21 21 LYS CA C 21 58.300 59.338 -1.038 1 1 269 . 14 1 1 A 21 21 LYS CB C 21 32.600 32.785 -0.185 1 1 273 . 14 1 1 A 21 21 LYS N N 21 124.200 125.286 -1.086 1 1 274 . 14 1 1 A 22 22 ASP H H 22 7.910 7.991 -0.081 1 1 275 . 14 1 1 A 22 22 ASP HA H 22 4.460 4.642 -0.182 1 1 278 . 14 1 1 A 22 22 ASP C C 22 176.920 177.754 -0.834 1 1 279 . 14 1 1 A 22 22 ASP CA C 22 53.400 53.098 0.302 1 1 280 . 14 1 1 A 22 22 ASP CB C 22 39.800 39.779 0.021 1 1 281 . 14 1 1 A 22 22 ASP N N 22 113.500 114.346 -0.846 1 1 282 . 14 1 1 A 23 23 GLY H H 23 7.540 8.008 -0.468 1 1 283 . 14 1 1 A 23 23 GLY HA2 H 23 3.730 3.885 -0.155 1 1 284 . 14 1 1 A 23 23 GLY HA3 H 23 3.730 3.893 -0.163 1 1 285 . 14 1 1 A 23 23 GLY C C 23 178.030 175.157 2.873 1 1 286 . 14 1 1 A 23 23 GLY CA C 23 47.400 47.241 0.159 1 1 287 . 14 1 1 A 23 23 GLY N N 23 109.200 108.943 0.257 1 1 288 . 14 1 1 A 24 24 ASP H H 24 8.430 7.811 0.619 1 1 289 . 14 1 1 A 24 24 ASP HA H 24 4.410 4.586 -0.176 1 1 292 . 14 1 1 A 24 24 ASP C C 24 177.580 177.581 -0.001 1 1 293 . 14 1 1 A 24 24 ASP CA C 24 53.770 53.586 0.184 1 1 294 . 14 1 1 A 24 24 ASP CB C 24 40.200 40.206 -0.006 1 1 295 . 14 1 1 A 24 24 ASP N N 24 120.700 120.568 0.132 1 1 296 . 14 1 1 A 25 25 GLY H H 25 10.370 9.513 0.857 1 1 297 . 14 1 1 A 25 25 GLY HA2 H 25 4.240 3.973 0.267 1 1 298 . 14 1 1 A 25 25 GLY HA3 H 25 3.610 3.992 -0.382 1 1 299 . 14 1 1 A 25 25 GLY C C 25 175.160 173.581 1.579 1 1 300 . 14 1 1 A 25 25 GLY CA C 25 45.300 45.415 -0.115 1 1 301 . 14 1 1 A 25 25 GLY N N 25 112.100 112.159 -0.059 1 1 302 . 14 1 1 A 26 26 THR H H 26 8.060 7.827 0.233 1 1 303 . 14 1 1 A 26 26 THR HA H 26 5.430 5.009 0.421 1 1 308 . 14 1 1 A 26 26 THR C C 26 177.260 173.360 3.900 1 1 309 . 14 1 1 A 26 26 THR CA C 26 59.500 58.890 0.610 1 1 310 . 14 1 1 A 26 26 THR CB C 26 72.800 73.172 -0.372 1 1 312 . 14 1 1 A 26 26 THR N N 26 110.950 109.696 1.254 1 1 313 . 14 1 1 A 27 27 ILE H H 27 9.890 8.539 1.351 1 1 314 . 14 1 1 A 27 27 ILE HA H 27 4.680 4.853 -0.173 1 1 324 . 14 1 1 A 27 27 ILE C C 27 173.810 175.330 -1.520 1 1 325 . 14 1 1 A 27 27 ILE CA C 27 61.250 60.486 0.764 1 1 326 . 14 1 1 A 27 27 ILE CB C 27 40.700 38.547 2.153 1 1 330 . 14 1 1 A 27 27 ILE N N 27 125.400 124.614 0.786 1 1 331 . 14 1 1 A 28 28 THR H H 28 8.290 8.884 -0.594 1 1 332 . 14 1 1 A 28 28 THR HA H 28 4.680 4.854 -0.174 1 1 337 . 14 1 1 A 28 28 THR C C 28 173.550 176.339 -2.789 1 1 338 . 14 1 1 A 28 28 THR CA C 28 59.200 59.384 -0.184 1 1 339 . 14 1 1 A 28 28 THR CB C 28 72.600 71.344 1.256 1 1 341 . 14 1 1 A 28 28 THR N N 28 116.000 119.343 -3.343 1 1 342 . 14 1 1 A 29 29 THR H H 29 9.180 8.842 0.338 1 1 343 . 14 1 1 A 29 29 THR HA H 29 3.570 3.891 -0.321 1 1 348 . 14 1 1 A 29 29 THR C C 29 176.080 176.757 -0.677 1 1 349 . 14 1 1 A 29 29 THR CA C 29 66.100 66.599 -0.499 1 1 350 . 14 1 1 A 29 29 THR CB C 29 67.650 68.299 -0.649 1 1 352 . 14 1 1 A 29 29 THR N N 29 111.440 115.434 -3.994 1 1 353 . 14 1 1 A 30 30 LYS H H 30 7.340 8.098 -0.758 1 1 354 . 14 1 1 A 30 30 LYS HA H 30 3.960 3.955 0.005 1 1 363 . 14 1 1 A 30 30 LYS C C 30 176.660 179.087 -2.427 1 1 364 . 14 1 1 A 30 30 LYS CA C 30 59.100 59.733 -0.633 1 1 365 . 14 1 1 A 30 30 LYS CB C 30 32.700 32.314 0.386 1 1 369 . 14 1 1 A 30 30 LYS N N 30 120.350 121.615 -1.265 1 1 370 . 14 1 1 A 31 31 GLU H H 31 7.760 8.323 -0.563 1 1 371 . 14 1 1 A 31 31 GLU HA H 31 4.000 4.114 -0.114 1 1 376 . 14 1 1 A 31 31 GLU C C 31 177.230 178.955 -1.725 1 1 377 . 14 1 1 A 31 31 GLU CA C 31 59.600 59.002 0.598 1 1 378 . 14 1 1 A 31 31 GLU CB C 31 29.600 28.284 1.316 1 1 380 . 14 1 1 A 31 31 GLU N N 31 122.300 117.658 4.642 1 1 381 . 14 1 1 A 32 32 LEU H H 32 8.370 8.065 0.305 1 1 382 . 14 1 1 A 32 32 LEU HA H 32 4.060 3.872 0.188 1 1 392 . 14 1 1 A 32 32 LEU C C 32 179.400 178.630 0.770 1 1 393 . 14 1 1 A 32 32 LEU CA C 32 57.550 57.909 -0.359 1 1 394 . 14 1 1 A 32 32 LEU CB C 32 41.700 41.937 -0.237 1 1 398 . 14 1 1 A 32 32 LEU N N 32 120.100 123.173 -3.073 1 1 399 . 14 1 1 A 33 33 GLY H H 33 8.650 8.002 0.648 1 1 400 . 14 1 1 A 33 33 GLY HA2 H 33 3.450 3.858 -0.408 1 1 401 . 14 1 1 A 33 33 GLY HA3 H 33 3.800 3.859 -0.059 1 1 402 . 14 1 1 A 33 33 GLY C C 33 179.640 176.200 3.440 1 1 403 . 14 1 1 A 33 33 GLY CA C 33 48.300 47.661 0.639 1 1 404 . 14 1 1 A 33 33 GLY N N 33 105.700 106.136 -0.436 1 1 405 . 14 1 1 A 34 34 THR H H 34 8.070 7.856 0.214 1 1 406 . 14 1 1 A 34 34 THR HA H 34 3.790 4.012 -0.222 1 1 411 . 14 1 1 A 34 34 THR C C 34 178.670 175.959 2.711 1 1 412 . 14 1 1 A 34 34 THR CA C 34 67.300 67.136 0.164 1 1 413 . 14 1 1 A 34 34 THR CB C 34 68.700 68.617 0.083 1 1 415 . 14 1 1 A 34 34 THR N N 34 118.140 118.673 -0.533 1 1 416 . 14 1 1 A 35 35 VAL H H 35 7.510 7.690 -0.180 1 1 417 . 14 1 1 A 35 35 VAL HA H 35 3.480 3.560 -0.080 1 1 425 . 14 1 1 A 35 35 VAL C C 35 175.050 177.772 -2.722 1 1 426 . 14 1 1 A 35 35 VAL CA C 35 66.500 66.743 -0.243 1 1 427 . 14 1 1 A 35 35 VAL CB C 35 31.400 31.339 0.061 1 1 430 . 14 1 1 A 35 35 VAL N N 35 121.400 121.795 -0.395 1 1 431 . 14 1 1 A 36 36 MET H H 36 8.530 8.036 0.494 1 1 432 . 14 1 1 A 36 36 MET HA H 36 3.590 4.052 -0.462 1 1 440 . 14 1 1 A 36 36 MET C C 36 177.410 178.619 -1.209 1 1 441 . 14 1 1 A 36 36 MET CA C 36 61.900 59.078 2.822 1 1 442 . 14 1 1 A 36 36 MET CB C 36 32.600 32.205 0.395 1 1 445 . 14 1 1 A 36 36 MET N N 36 118.970 117.430 1.540 1 1 446 . 14 1 1 A 37 37 ARG H H 37 8.600 8.414 0.186 1 1 447 . 14 1 1 A 37 37 ARG HA H 37 4.720 4.154 0.566 1 1 454 . 14 1 1 A 37 37 ARG C C 37 179.250 178.680 0.570 1 1 455 . 14 1 1 A 37 37 ARG CA C 37 59.450 59.520 -0.070 1 1 456 . 14 1 1 A 37 37 ARG CB C 37 30.200 30.037 0.163 1 1 459 . 14 1 1 A 37 37 ARG N N 37 118.400 120.537 -2.137 1 1 460 . 14 1 1 A 38 38 SER H H 38 7.830 7.791 0.039 1 1 461 . 14 1 1 A 38 38 SER HA H 38 4.240 4.336 -0.096 1 1 464 . 14 1 1 A 38 38 SER C C 38 178.480 176.875 1.605 1 1 465 . 14 1 1 A 38 38 SER CA C 38 62.100 60.778 1.322 1 1 466 . 14 1 1 A 38 38 SER CB C 38 63.400 62.988 0.412 1 1 467 . 14 1 1 A 38 38 SER N N 38 119.400 114.749 4.651 1 1 468 . 14 1 1 A 39 39 LEU H H 39 7.280 8.042 -0.762 1 1 469 . 14 1 1 A 39 39 LEU HA H 39 4.360 4.464 -0.104 1 1 479 . 14 1 1 A 39 39 LEU C C 39 178.240 176.742 1.498 1 1 480 . 14 1 1 A 39 39 LEU CA C 39 54.300 55.522 -1.222 1 1 481 . 14 1 1 A 39 39 LEU CB C 39 42.100 42.704 -0.604 1 1 485 . 14 1 1 A 39 39 LEU N N 39 119.950 121.890 -1.940 1 1 486 . 14 1 1 A 40 40 GLY H H 40 7.740 8.295 -0.555 1 1 487 . 14 1 1 A 40 40 GLY HA2 H 40 4.140 3.926 0.214 1 1 488 . 14 1 1 A 40 40 GLY HA3 H 40 3.650 3.932 -0.282 1 1 489 . 14 1 1 A 40 40 GLY C C 40 176.140 173.895 2.245 1 1 490 . 14 1 1 A 40 40 GLY CA C 40 45.300 45.690 -0.390 1 1 491 . 14 1 1 A 40 40 GLY N N 40 105.750 108.339 -2.589 1 1 492 . 14 1 1 A 41 41 GLN H H 41 7.710 7.657 0.053 1 1 493 . 14 1 1 A 41 41 GLN HA H 41 4.360 4.682 -0.322 1 1 500 . 14 1 1 A 41 41 GLN C C 41 176.700 174.582 2.118 1 1 501 . 14 1 1 A 41 41 GLN CA C 41 54.900 54.161 0.739 1 1 502 . 14 1 1 A 41 41 GLN CB C 41 29.600 31.654 -2.054 1 1 504 . 14 1 1 A 41 41 GLN N N 41 118.400 120.144 -1.744 1 1 506 . 14 1 1 A 42 42 ASN H H 42 8.640 8.645 -0.005 1 1 507 . 14 1 1 A 42 42 ASN HA H 42 5.150 5.557 -0.407 1 1 512 . 14 1 1 A 42 42 ASN CA C 42 51.200 50.710 0.490 1 1 513 . 14 1 1 A 42 42 ASN CB C 42 39.500 39.641 -0.141 1 1 514 . 14 1 1 A 42 42 ASN N N 42 115.610 122.917 -7.307 1 1 516 . 14 1 1 A 43 43 PRO HA H 43 4.540 4.604 -0.064 1 1 523 . 14 1 1 A 43 43 PRO C C 43 179.440 177.359 2.081 1 1 524 . 14 1 1 A 43 43 PRO CA C 43 62.450 62.768 -0.318 1 1 525 . 14 1 1 A 43 43 PRO CB C 43 31.500 31.974 -0.474 1 1 528 . 14 1 1 A 44 44 THR H H 44 8.660 8.730 -0.070 1 1 529 . 14 1 1 A 44 44 THR HA H 44 4.340 4.566 -0.226 1 1 534 . 14 1 1 A 44 44 THR CA C 44 60.450 62.488 -2.038 1 1 535 . 14 1 1 A 44 44 THR CB C 44 71.400 69.608 1.792 1 1 537 . 14 1 1 A 44 44 THR N N 44 112.600 117.423 -4.823 1 1 538 . 14 1 1 A 45 45 GLU H H 45 8.720 9.075 -0.355 1 1 539 . 14 1 1 A 45 45 GLU HA H 45 3.870 3.931 -0.061 1 1 544 . 14 1 1 A 45 45 GLU C C 45 174.270 178.179 -3.909 1 1 545 . 14 1 1 A 45 45 GLU CA C 45 59.900 59.848 0.052 1 1 546 . 14 1 1 A 45 45 GLU CB C 45 29.200 29.279 -0.079 1 1 548 . 14 1 1 A 45 45 GLU N N 45 120.150 125.038 -4.888 1 1 549 . 14 1 1 A 46 46 ALA H H 46 8.200 8.283 -0.083 1 1 550 . 14 1 1 A 46 46 ALA HA H 46 3.980 4.042 -0.062 1 1 554 . 14 1 1 A 46 46 ALA C C 46 175.180 179.936 -4.756 1 1 555 . 14 1 1 A 46 46 ALA CA C 46 55.100 54.898 0.202 1 1 556 . 14 1 1 A 46 46 ALA CB C 46 18.300 18.392 -0.092 1 1 557 . 14 1 1 A 46 46 ALA N N 46 120.450 121.738 -1.288 1 1 558 . 14 1 1 A 47 47 GLU H H 47 7.630 8.120 -0.490 1 1 559 . 14 1 1 A 47 47 GLU HA H 47 3.890 4.123 -0.233 1 1 564 . 14 1 1 A 47 47 GLU C C 47 179.020 179.027 -0.007 1 1 565 . 14 1 1 A 47 47 GLU CA C 47 59.500 58.807 0.693 1 1 566 . 14 1 1 A 47 47 GLU CB C 47 29.600 29.326 0.274 1 1 568 . 14 1 1 A 47 47 GLU N N 47 118.320 118.498 -0.178 1 1 569 . 14 1 1 A 48 48 LEU H H 48 7.880 8.236 -0.356 1 1 570 . 14 1 1 A 48 48 LEU HA H 48 3.790 3.978 -0.188 1 1 580 . 14 1 1 A 48 48 LEU C C 48 180.200 179.421 0.779 1 1 581 . 14 1 1 A 48 48 LEU CA C 48 58.150 57.826 0.324 1 1 582 . 14 1 1 A 48 48 LEU CB C 48 42.800 41.804 0.996 1 1 586 . 14 1 1 A 48 48 LEU N N 48 119.000 120.116 -1.116 1 1 587 . 14 1 1 A 49 49 GLN H H 49 8.080 7.811 0.269 1 1 588 . 14 1 1 A 49 49 GLN HA H 49 3.630 4.035 -0.405 1 1 595 . 14 1 1 A 49 49 GLN C C 49 177.680 177.622 0.058 1 1 596 . 14 1 1 A 49 49 GLN CA C 49 58.600 58.947 -0.347 1 1 597 . 14 1 1 A 49 49 GLN CB C 49 28.500 28.669 -0.169 1 1 599 . 14 1 1 A 49 49 GLN N N 49 117.400 118.703 -1.303 1 1 601 . 14 1 1 A 50 50 ASP H H 50 7.960 8.073 -0.113 1 1 602 . 14 1 1 A 50 50 ASP HA H 50 4.300 4.295 0.005 1 1 605 . 14 1 1 A 50 50 ASP C C 50 178.470 178.409 0.061 1 1 606 . 14 1 1 A 50 50 ASP CA C 50 57.700 57.814 -0.114 1 1 607 . 14 1 1 A 50 50 ASP CB C 50 40.600 41.816 -1.216 1 1 608 . 14 1 1 A 50 50 ASP N N 50 119.050 119.522 -0.472 1 1 609 . 14 1 1 A 51 51 MET H H 51 7.750 8.275 -0.525 1 1 610 . 14 1 1 A 51 51 MET HA H 51 4.000 4.168 -0.168 1 1 618 . 14 1 1 A 51 51 MET C C 51 178.170 178.751 -0.581 1 1 619 . 14 1 1 A 51 51 MET CA C 51 59.500 58.625 0.875 1 1 620 . 14 1 1 A 51 51 MET CB C 51 34.700 32.936 1.764 1 1 623 . 14 1 1 A 51 51 MET N N 51 117.900 117.747 0.153 1 1 624 . 14 1 1 A 52 52 ILE H H 52 7.580 8.000 -0.420 1 1 625 . 14 1 1 A 52 52 ILE HA H 52 3.620 3.503 0.117 1 1 635 . 14 1 1 A 52 52 ILE C C 52 178.690 177.787 0.903 1 1 636 . 14 1 1 A 52 52 ILE CA C 52 63.600 65.318 -1.718 1 1 637 . 14 1 1 A 52 52 ILE CB C 52 36.700 37.877 -1.177 1 1 641 . 14 1 1 A 52 52 ILE N N 52 116.850 119.120 -2.270 1 1 642 . 14 1 1 A 53 53 ASN H H 53 8.570 8.475 0.095 1 1 643 . 14 1 1 A 53 53 ASN HA H 53 4.310 4.426 -0.116 1 1 648 . 14 1 1 A 53 53 ASN CA C 53 56.400 56.471 -0.071 1 1 649 . 14 1 1 A 53 53 ASN CB C 53 38.300 37.964 0.336 1 1 650 . 14 1 1 A 53 53 ASN N N 53 116.900 118.077 -1.177 1 1 652 . 14 1 1 A 54 54 GLU H H 54 7.520 7.865 -0.345 1 1 653 . 14 1 1 A 54 54 GLU HA H 54 3.950 4.113 -0.163 1 1 658 . 14 1 1 A 54 54 GLU C C 54 178.070 178.549 -0.479 1 1 659 . 14 1 1 A 54 54 GLU CA C 54 59.000 58.930 0.070 1 1 660 . 14 1 1 A 54 54 GLU CB C 54 29.800 29.586 0.214 1 1 662 . 14 1 1 A 54 54 GLU N N 54 115.650 119.430 -3.780 1 1 663 . 14 1 1 A 55 55 VAL H H 55 7.020 7.216 -0.196 1 1 664 . 14 1 1 A 55 55 VAL HA H 55 4.110 4.011 0.099 1 1 672 . 14 1 1 A 55 55 VAL C C 55 177.890 176.393 1.497 1 1 673 . 14 1 1 A 55 55 VAL CA C 55 61.210 64.627 -3.417 1 1 674 . 14 1 1 A 55 55 VAL CB C 55 33.100 32.016 1.084 1 1 677 . 14 1 1 A 55 55 VAL N N 55 111.500 119.330 -7.830 1 1 678 . 14 1 1 A 56 56 ASP H H 56 7.460 7.883 -0.423 1 1 679 . 14 1 1 A 56 56 ASP HA H 56 4.360 4.627 -0.267 1 1 682 . 14 1 1 A 56 56 ASP C C 56 177.620 176.717 0.903 1 1 683 . 14 1 1 A 56 56 ASP CA C 56 53.550 53.493 0.057 1 1 684 . 14 1 1 A 56 56 ASP CB C 56 40.600 40.185 0.415 1 1 685 . 14 1 1 A 56 56 ASP N N 56 121.330 121.770 -0.440 1 1 686 . 14 1 1 A 57 57 ALA H H 57 7.780 8.211 -0.431 1 1 687 . 14 1 1 A 57 57 ALA HA H 57 4.080 4.038 0.042 1 1 691 . 14 1 1 A 57 57 ALA C C 57 175.320 178.239 -2.919 1 1 692 . 14 1 1 A 57 57 ALA CA C 57 55.000 55.195 -0.195 1 1 693 . 14 1 1 A 57 57 ALA CB C 57 19.800 18.517 1.283 1 1 694 . 14 1 1 A 57 57 ALA N N 57 130.400 128.231 2.169 1 1 695 . 14 1 1 A 58 58 ASP H H 58 8.140 7.976 0.164 1 1 696 . 14 1 1 A 58 58 ASP HA H 58 4.540 4.559 -0.019 1 1 699 . 14 1 1 A 58 58 ASP C C 58 176.130 177.496 -1.366 1 1 700 . 14 1 1 A 58 58 ASP CA C 58 52.950 53.245 -0.295 1 1 701 . 14 1 1 A 58 58 ASP CB C 58 40.100 39.995 0.105 1 1 702 . 14 1 1 A 58 58 ASP N N 58 113.200 113.119 0.081 1 1 703 . 14 1 1 A 59 59 GLY H H 59 7.530 7.738 -0.208 1 1 704 . 14 1 1 A 59 59 GLY HA2 H 59 3.700 3.920 -0.220 1 1 705 . 14 1 1 A 59 59 GLY HA3 H 59 3.820 3.922 -0.102 1 1 706 . 14 1 1 A 59 59 GLY C C 59 178.830 175.272 3.558 1 1 707 . 14 1 1 A 59 59 GLY CA C 59 47.450 46.965 0.485 1 1 708 . 14 1 1 A 59 59 GLY N N 59 108.180 109.280 -1.100 1 1 709 . 14 1 1 A 60 60 ASN H H 60 8.080 8.700 -0.620 1 1 710 . 14 1 1 A 60 60 ASN HA H 60 4.500 4.678 -0.178 1 1 715 . 14 1 1 A 60 60 ASN CA C 60 52.900 52.617 0.283 1 1 716 . 14 1 1 A 60 60 ASN CB C 60 37.900 37.840 0.060 1 1 717 . 14 1 1 A 60 60 ASN N N 60 118.700 118.627 0.073 1 1 719 . 14 1 1 A 61 61 GLY H H 61 10.640 10.237 0.403 1 1 720 . 14 1 1 A 61 61 GLY HA2 H 61 3.370 3.859 -0.489 1 1 721 . 14 1 1 A 61 61 GLY HA3 H 61 4.190 3.862 0.328 1 1 722 . 14 1 1 A 61 61 GLY C C 61 174.970 173.426 1.544 1 1 723 . 14 1 1 A 61 61 GLY CA C 61 45.300 45.467 -0.167 1 1 724 . 14 1 1 A 61 61 GLY N N 61 113.400 111.780 1.620 1 1 725 . 14 1 1 A 62 62 THR H H 62 7.550 7.873 -0.323 1 1 726 . 14 1 1 A 62 62 THR HA H 62 4.620 4.939 -0.319 1 1 731 . 14 1 1 A 62 62 THR C C 62 176.870 172.779 4.091 1 1 732 . 14 1 1 A 62 62 THR CA C 62 59.550 59.578 -0.028 1 1 733 . 14 1 1 A 62 62 THR CB C 62 72.500 72.608 -0.108 1 1 735 . 14 1 1 A 62 62 THR N N 62 107.860 109.828 -1.968 1 1 736 . 14 1 1 A 63 63 ILE H H 63 8.790 8.578 0.212 1 1 737 . 14 1 1 A 63 63 ILE HA H 63 5.280 4.964 0.316 1 1 747 . 14 1 1 A 63 63 ILE C C 63 173.250 175.142 -1.892 1 1 748 . 14 1 1 A 63 63 ILE CA C 63 57.600 59.973 -2.373 1 1 749 . 14 1 1 A 63 63 ILE CB C 63 39.400 39.221 0.179 1 1 753 . 14 1 1 A 63 63 ILE N N 63 123.900 121.977 1.923 1 1 754 . 14 1 1 A 64 64 ASP H H 64 8.720 8.894 -0.174 1 1 755 . 14 1 1 A 64 64 ASP HA H 64 5.350 5.037 0.313 1 1 758 . 14 1 1 A 64 64 ASP C C 64 172.850 177.864 -5.014 1 1 759 . 14 1 1 A 64 64 ASP CA C 64 52.100 52.789 -0.689 1 1 760 . 14 1 1 A 64 64 ASP CB C 64 42.150 42.962 -0.812 1 1 761 . 14 1 1 A 64 64 ASP N N 64 127.860 127.444 0.416 1 1 762 . 14 1 1 A 65 65 PHE H H 65 8.840 9.167 -0.327 1 1 763 . 14 1 1 A 65 65 PHE HA H 65 3.890 4.808 -0.918 1 1 771 . 14 1 1 A 65 65 PHE C C 65 175.750 174.584 1.166 1 1 772 . 14 1 1 A 65 65 PHE CA C 65 63.300 63.259 0.041 1 1 773 . 14 1 1 A 65 65 PHE CB C 65 36.100 37.492 -1.392 1 1 779 . 14 1 1 A 65 65 PHE N N 65 117.500 123.186 -5.686 1 1 780 . 14 1 1 A 66 66 PRO HA H 66 3.770 4.377 -0.607 1 1 787 . 14 1 1 A 66 66 PRO C C 66 175.840 179.443 -3.603 1 1 788 . 14 1 1 A 66 66 PRO CA C 66 67.100 66.454 0.646 1 1 789 . 14 1 1 A 66 66 PRO CB C 66 30.700 30.679 0.021 1 1 792 . 14 1 1 A 67 67 GLU H H 67 8.340 8.737 -0.397 1 1 793 . 14 1 1 A 67 67 GLU HA H 67 3.920 4.133 -0.213 1 1 798 . 14 1 1 A 67 67 GLU CA C 67 59.400 59.187 0.213 1 1 799 . 14 1 1 A 67 67 GLU CB C 67 29.650 29.255 0.395 1 1 801 . 14 1 1 A 67 67 GLU N N 67 117.850 117.834 0.016 1 1 802 . 14 1 1 A 68 68 PHE H H 68 8.630 8.713 -0.083 1 1 803 . 14 1 1 A 68 68 PHE HA H 68 3.670 4.191 -0.521 1 1 811 . 14 1 1 A 68 68 PHE C C 68 174.810 177.566 -2.756 1 1 812 . 14 1 1 A 68 68 PHE CA C 68 61.400 61.363 0.037 1 1 813 . 14 1 1 A 68 68 PHE CB C 68 40.700 39.323 1.377 1 1 819 . 14 1 1 A 68 68 PHE N N 68 123.200 123.370 -0.170 1 1 820 . 14 1 1 A 69 69 LEU H H 69 8.800 8.747 0.053 1 1 821 . 14 1 1 A 69 69 LEU HA H 69 3.130 3.941 -0.811 1 1 831 . 14 1 1 A 69 69 LEU C C 69 179.310 179.066 0.244 1 1 832 . 14 1 1 A 69 69 LEU CA C 69 58.000 58.309 -0.309 1 1 833 . 14 1 1 A 69 69 LEU CB C 69 41.550 41.864 -0.314 1 1 837 . 14 1 1 A 69 69 LEU N N 69 119.930 120.190 -0.260 1 1 838 . 14 1 1 A 70 70 THR H H 70 7.550 8.048 -0.498 1 1 839 . 14 1 1 A 70 70 THR HA H 70 3.530 4.050 -0.520 1 1 844 . 14 1 1 A 70 70 THR C C 70 180.360 177.252 3.108 1 1 845 . 14 1 1 A 70 70 THR CA C 70 66.700 65.543 1.157 1 1 846 . 14 1 1 A 70 70 THR CB C 70 68.500 68.223 0.277 1 1 848 . 14 1 1 A 70 70 THR N N 70 114.730 110.993 3.737 1 1 849 . 14 1 1 A 71 71 MET H H 71 7.000 8.035 -1.035 1 1 850 . 14 1 1 A 71 71 MET HA H 71 3.640 4.127 -0.487 1 1 858 . 14 1 1 A 71 71 MET C C 71 176.750 178.401 -1.651 1 1 859 . 14 1 1 A 71 71 MET CA C 71 58.800 58.127 0.673 1 1 860 . 14 1 1 A 71 71 MET CB C 71 32.000 32.071 -0.071 1 1 863 . 14 1 1 A 71 71 MET N N 71 119.750 120.602 -0.852 1 1 864 . 14 1 1 A 72 72 MET H H 72 7.810 8.101 -0.291 1 1 865 . 14 1 1 A 72 72 MET HA H 72 3.880 4.201 -0.321 1 1 873 . 14 1 1 A 72 72 MET C C 72 174.850 178.235 -3.385 1 1 874 . 14 1 1 A 72 72 MET CA C 72 55.100 59.039 -3.939 1 1 875 . 14 1 1 A 72 72 MET CB C 72 28.900 33.004 -4.104 1 1 878 . 14 1 1 A 72 72 MET N N 72 115.300 118.576 -3.276 1 1 879 . 14 1 1 A 73 73 ALA H H 73 7.880 8.169 -0.289 1 1 880 . 14 1 1 A 73 73 ALA HA H 73 3.990 3.977 0.013 1 1 884 . 14 1 1 A 73 73 ALA C C 73 177.940 178.780 -0.840 1 1 885 . 14 1 1 A 73 73 ALA CA C 73 53.900 55.180 -1.280 1 1 886 . 14 1 1 A 73 73 ALA CB C 73 18.600 18.305 0.295 1 1 887 . 14 1 1 A 73 73 ALA N N 73 120.000 121.007 -1.007 1 1 888 . 14 1 1 A 74 74 ARG H H 74 7.050 7.214 -0.164 1 1 889 . 14 1 1 A 74 74 ARG HA H 74 4.040 4.368 -0.328 1 1 896 . 14 1 1 A 74 74 ARG C C 74 178.910 176.785 2.125 1 1 897 . 14 1 1 A 74 74 ARG CA C 74 57.400 56.407 0.993 1 1 898 . 14 1 1 A 74 74 ARG CB C 74 30.900 30.564 0.336 1 1 901 . 14 1 1 A 74 74 ARG N N 74 115.850 115.558 0.292 1 1 902 . 14 1 1 A 75 75 LYS H H 75 7.820 7.657 0.163 1 1 903 . 14 1 1 A 75 75 LYS HA H 75 4.200 4.321 -0.121 1 1 912 . 14 1 1 A 75 75 LYS C C 75 178.770 176.576 2.194 1 1 913 . 14 1 1 A 75 75 LYS CA C 75 55.900 55.124 0.776 1 1 914 . 14 1 1 A 75 75 LYS CB C 75 32.600 30.941 1.659 1 1 918 . 14 1 1 A 75 75 LYS N N 75 119.600 120.961 -1.361 1 1 919 . 14 1 1 A 76 76 MET H H 76 8.100 8.318 -0.218 1 1 920 . 14 1 1 A 76 76 MET HA H 76 4.300 4.858 -0.558 1 1 928 . 14 1 1 A 76 76 MET C C 76 176.990 175.921 1.069 1 1 929 . 14 1 1 A 76 76 MET CA C 76 55.800 53.963 1.837 1 1 930 . 14 1 1 A 76 76 MET CB C 76 33.800 32.946 0.854 1 1 933 . 14 1 1 A 76 76 MET N N 76 122.300 124.394 -2.094 1 1 934 . 14 1 1 A 77 77 LYS H H 77 8.150 7.523 0.627 1 1 935 . 14 1 1 A 77 77 LYS HA H 77 4.210 4.118 0.092 1 1 944 . 14 1 1 A 77 77 LYS C C 77 176.890 175.331 1.559 1 1 945 . 14 1 1 A 77 77 LYS CA C 77 56.100 56.907 -0.807 1 1 946 . 14 1 1 A 77 77 LYS CB C 77 33.000 32.878 0.122 1 1 950 . 14 1 1 A 77 77 LYS N N 77 121.300 122.507 -1.207 1 1 951 . 14 1 1 A 78 78 ASP H H 78 8.240 8.811 -0.571 1 1 952 . 14 1 1 A 78 78 ASP HA H 78 4.500 5.371 -0.871 1 1 955 . 14 1 1 A 78 78 ASP C C 78 176.090 175.157 0.933 1 1 956 . 14 1 1 A 78 78 ASP CA C 78 54.700 53.086 1.614 1 1 957 . 14 1 1 A 78 78 ASP CB C 78 41.300 43.975 -2.675 1 1 958 . 14 1 1 A 78 78 ASP N N 78 122.200 127.593 -5.393 1 1 959 . 14 1 1 A 79 79 THR H H 79 8.150 8.875 -0.725 1 1 960 . 14 1 1 A 79 79 THR HA H 79 4.220 5.005 -0.785 1 1 965 . 14 1 1 A 79 79 THR C C 79 176.240 172.827 3.413 1 1 966 . 14 1 1 A 79 79 THR CA C 79 61.500 60.027 1.473 1 1 967 . 14 1 1 A 79 79 THR CB C 79 70.300 71.903 -1.603 1 1 969 . 14 1 1 A 79 79 THR N N 79 114.940 113.430 1.510 1 1 970 . 14 1 1 A 80 80 ASP H H 80 8.480 8.781 -0.301 1 1 971 . 14 1 1 A 80 80 ASP HA H 80 4.600 4.676 -0.076 1 1 974 . 14 1 1 A 80 80 ASP C C 80 176.230 176.777 -0.547 1 1 975 . 14 1 1 A 80 80 ASP CA C 80 54.100 54.755 -0.655 1 1 976 . 14 1 1 A 80 80 ASP CB C 80 41.600 40.728 0.872 1 1 977 . 14 1 1 A 80 80 ASP N N 80 123.800 123.715 0.085 1 1 978 . 14 1 1 A 81 81 SER H H 81 8.500 8.979 -0.479 1 1 979 . 14 1 1 A 81 81 SER HA H 81 4.220 4.097 0.123 1 1 982 . 14 1 1 A 81 81 SER C C 81 173.900 176.224 -2.324 1 1 983 . 14 1 1 A 81 81 SER CA C 81 60.400 61.708 -1.308 1 1 984 . 14 1 1 A 81 81 SER CB C 81 63.700 62.694 1.006 1 1 985 . 14 1 1 A 81 81 SER N N 81 118.450 119.235 -0.785 1 1 986 . 14 1 1 A 82 82 GLU H H 82 8.430 7.847 0.583 1 1 987 . 14 1 1 A 82 82 GLU HA H 82 4.010 4.117 -0.107 1 1 992 . 14 1 1 A 82 82 GLU C C 82 176.370 178.678 -2.308 1 1 993 . 14 1 1 A 82 82 GLU CA C 82 59.100 58.931 0.169 1 1 994 . 14 1 1 A 82 82 GLU CB C 82 29.600 29.293 0.307 1 1 996 . 14 1 1 A 82 82 GLU N N 82 121.850 121.461 0.389 1 1 997 . 14 1 1 A 83 83 GLU H H 83 8.020 9.151 -1.131 1 1 998 . 14 1 1 A 83 83 GLU HA H 83 4.040 4.051 -0.011 1 1 1003 . 14 1 1 A 83 83 GLU C C 83 175.890 178.977 -3.087 1 1 1004 . 14 1 1 A 83 83 GLU CA C 83 58.800 59.596 -0.796 1 1 1005 . 14 1 1 A 83 83 GLU CB C 83 29.400 29.032 0.368 1 1 1007 . 14 1 1 A 83 83 GLU N N 83 119.470 119.551 -0.081 1 1 1008 . 14 1 1 A 84 84 GLU H H 84 7.930 7.926 0.004 1 1 1009 . 14 1 1 A 84 84 GLU HA H 84 4.150 4.165 -0.015 1 1 1014 . 14 1 1 A 84 84 GLU C C 84 176.160 179.436 -3.276 1 1 1015 . 14 1 1 A 84 84 GLU CA C 84 59.400 58.816 0.584 1 1 1016 . 14 1 1 A 84 84 GLU CB C 84 29.600 29.379 0.221 1 1 1018 . 14 1 1 A 84 84 GLU N N 84 118.310 119.468 -1.158 1 1 1019 . 14 1 1 A 85 85 ILE H H 85 7.880 7.826 0.054 1 1 1020 . 14 1 1 A 85 85 ILE HA H 85 3.880 3.724 0.156 1 1 1030 . 14 1 1 A 85 85 ILE C C 85 179.870 177.676 2.194 1 1 1031 . 14 1 1 A 85 85 ILE CA C 85 65.400 65.050 0.350 1 1 1032 . 14 1 1 A 85 85 ILE CB C 85 37.400 37.643 -0.243 1 1 1036 . 14 1 1 A 85 85 ILE N N 85 120.900 120.487 0.413 1 1 1037 . 14 1 1 A 86 86 ARG H H 86 7.990 8.412 -0.422 1 1 1038 . 14 1 1 A 86 86 ARG HA H 86 4.030 4.056 -0.026 1 1 1045 . 14 1 1 A 86 86 ARG C C 86 180.520 178.642 1.878 1 1 1046 . 14 1 1 A 86 86 ARG CA C 86 60.200 60.168 0.032 1 1 1047 . 14 1 1 A 86 86 ARG CB C 86 29.800 30.281 -0.481 1 1 1050 . 14 1 1 A 86 86 ARG N N 86 121.000 119.791 1.209 1 1 1051 . 14 1 1 A 87 87 GLU H H 87 8.350 8.451 -0.101 1 1 1052 . 14 1 1 A 87 87 GLU HA H 87 3.900 4.141 -0.241 1 1 1057 . 14 1 1 A 87 87 GLU C C 87 177.380 178.728 -1.348 1 1 1058 . 14 1 1 A 87 87 GLU CA C 87 59.600 59.338 0.262 1 1 1059 . 14 1 1 A 87 87 GLU CB C 87 29.500 29.370 0.130 1 1 1061 . 14 1 1 A 87 87 GLU N N 87 117.860 118.018 -0.158 1 1 1062 . 14 1 1 A 88 88 ALA H H 88 7.880 7.593 0.287 1 1 1063 . 14 1 1 A 88 88 ALA HA H 88 4.060 4.240 -0.180 1 1 1067 . 14 1 1 A 88 88 ALA C C 88 178.580 179.692 -1.112 1 1 1068 . 14 1 1 A 88 88 ALA CA C 88 55.200 54.973 0.227 1 1 1069 . 14 1 1 A 88 88 ALA CB C 88 17.900 17.998 -0.098 1 1 1070 . 14 1 1 A 88 88 ALA N N 88 120.100 122.186 -2.086 1 1 1071 . 14 1 1 A 89 89 PHE H H 89 8.550 8.434 0.116 1 1 1072 . 14 1 1 A 89 89 PHE HA H 89 4.000 3.791 0.209 1 1 1080 . 14 1 1 A 89 89 PHE C C 89 179.770 177.722 2.048 1 1 1081 . 14 1 1 A 89 89 PHE CA C 89 61.800 61.347 0.453 1 1 1082 . 14 1 1 A 89 89 PHE CB C 89 39.130 39.143 -0.013 1 1 1088 . 14 1 1 A 89 89 PHE N N 89 118.760 119.395 -0.635 1 1 1089 . 14 1 1 A 90 90 ARG H H 90 7.750 7.860 -0.110 1 1 1090 . 14 1 1 A 90 90 ARG HA H 90 3.760 3.922 -0.162 1 1 1097 . 14 1 1 A 90 90 ARG C C 90 179.090 179.105 -0.015 1 1 1098 . 14 1 1 A 90 90 ARG CA C 90 58.800 59.462 -0.662 1 1 1099 . 14 1 1 A 90 90 ARG CB C 90 30.500 29.954 0.546 1 1 1102 . 14 1 1 A 90 90 ARG N N 90 115.100 117.617 -2.517 1 1 1103 . 14 1 1 A 91 91 VAL H H 91 7.270 7.573 -0.303 1 1 1104 . 14 1 1 A 91 91 VAL HA H 91 3.360 3.561 -0.201 1 1 1112 . 14 1 1 A 91 91 VAL C C 91 179.060 177.741 1.319 1 1 1113 . 14 1 1 A 91 91 VAL CA C 91 66.050 66.404 -0.354 1 1 1114 . 14 1 1 A 91 91 VAL CB C 91 31.200 31.684 -0.484 1 1 1117 . 14 1 1 A 91 91 VAL N N 91 117.450 120.708 -3.258 1 1 1118 . 14 1 1 A 92 92 PHE H H 92 7.000 7.686 -0.686 1 1 1119 . 14 1 1 A 92 92 PHE HA H 92 4.070 4.115 -0.045 1 1 1127 . 14 1 1 A 92 92 PHE C C 92 177.490 176.343 1.147 1 1 1128 . 14 1 1 A 92 92 PHE CA C 92 60.700 59.809 0.891 1 1 1129 . 14 1 1 A 92 92 PHE CB C 92 38.000 39.425 -1.425 1 1 1135 . 14 1 1 A 92 92 PHE N N 92 114.400 118.333 -3.933 1 1 1136 . 14 1 1 A 93 93 ASP H H 93 7.870 8.163 -0.293 1 1 1137 . 14 1 1 A 93 93 ASP HA H 93 4.450 4.446 0.004 1 1 1140 . 14 1 1 A 93 93 ASP C C 93 176.830 176.219 0.611 1 1 1141 . 14 1 1 A 93 93 ASP CA C 93 52.300 52.414 -0.114 1 1 1142 . 14 1 1 A 93 93 ASP CB C 93 38.800 39.199 -0.399 1 1 1143 . 14 1 1 A 93 93 ASP N N 93 115.100 117.088 -1.988 1 1 1144 . 14 1 1 A 94 94 LYS H H 94 7.510 8.527 -1.017 1 1 1145 . 14 1 1 A 94 94 LYS HA H 94 3.770 3.779 -0.009 1 1 1154 . 14 1 1 A 94 94 LYS C C 94 176.650 177.703 -1.053 1 1 1155 . 14 1 1 A 94 94 LYS CA C 94 59.400 59.887 -0.487 1 1 1156 . 14 1 1 A 94 94 LYS CB C 94 32.800 32.096 0.704 1 1 1160 . 14 1 1 A 94 94 LYS N N 94 124.250 126.518 -2.268 1 1 1161 . 14 1 1 A 95 95 ASP H H 95 8.190 7.548 0.642 1 1 1162 . 14 1 1 A 95 95 ASP HA H 95 4.430 4.600 -0.170 1 1 1165 . 14 1 1 A 95 95 ASP C C 95 177.580 177.608 -0.028 1 1 1166 . 14 1 1 A 95 95 ASP CA C 95 53.600 53.190 0.410 1 1 1167 . 14 1 1 A 95 95 ASP CB C 95 39.900 39.941 -0.041 1 1 1168 . 14 1 1 A 95 95 ASP N N 95 113.600 114.930 -1.330 1 1 1169 . 14 1 1 A 96 96 GLY H H 96 7.770 7.973 -0.203 1 1 1170 . 14 1 1 A 96 96 GLY HA2 H 96 3.750 3.926 -0.176 1 1 1171 . 14 1 1 A 96 96 GLY HA3 H 96 3.750 3.933 -0.183 1 1 1172 . 14 1 1 A 96 96 GLY C C 96 178.400 175.491 2.909 1 1 1173 . 14 1 1 A 96 96 GLY CA C 96 47.100 47.038 0.062 1 1 1174 . 14 1 1 A 96 96 GLY N N 96 108.900 109.113 -0.213 1 1 1175 . 14 1 1 A 97 97 ASN H H 97 8.270 8.010 0.260 1 1 1176 . 14 1 1 A 97 97 ASN HA H 97 4.520 4.778 -0.258 1 1 1181 . 14 1 1 A 97 97 ASN CA C 97 52.900 52.482 0.418 1 1 1182 . 14 1 1 A 97 97 ASN CB C 97 38.100 38.079 0.021 1 1 1183 . 14 1 1 A 97 97 ASN N N 97 119.460 118.897 0.563 1 1 1185 . 14 1 1 A 98 98 GLY H H 98 10.660 9.515 1.145 1 1 1186 . 14 1 1 A 98 98 GLY HA2 H 98 3.330 3.879 -0.549 1 1 1187 . 14 1 1 A 98 98 GLY HA3 H 98 3.960 3.943 0.017 1 1 1188 . 14 1 1 A 98 98 GLY C C 98 178.360 172.924 5.436 1 1 1189 . 14 1 1 A 98 98 GLY CA C 98 45.800 45.456 0.344 1 1 1190 . 14 1 1 A 98 98 GLY N N 98 112.700 111.796 0.904 1 1 1191 . 14 1 1 A 99 99 TYR H H 99 7.570 8.160 -0.590 1 1 1192 . 14 1 1 A 99 99 TYR HA H 99 4.850 5.357 -0.507 1 1 1199 . 14 1 1 A 99 99 TYR C C 99 176.090 175.077 1.013 1 1 1200 . 14 1 1 A 99 99 TYR CA C 99 56.250 56.027 0.223 1 1 1201 . 14 1 1 A 99 99 TYR CB C 99 42.700 43.180 -0.480 1 1 1206 . 14 1 1 A 99 99 TYR N N 99 115.850 117.456 -1.606 1 1 1207 . 14 1 1 A 100 100 ILE H H 100 10.120 9.140 0.980 1 1 1208 . 14 1 1 A 100 100 ILE HA H 100 4.600 4.853 -0.253 1 1 1218 . 14 1 1 A 100 100 ILE C C 100 172.730 175.216 -2.486 1 1 1219 . 14 1 1 A 100 100 ILE CA C 100 61.500 60.491 1.009 1 1 1220 . 14 1 1 A 100 100 ILE CB C 100 39.300 39.054 0.246 1 1 1224 . 14 1 1 A 100 100 ILE N N 100 127.260 124.874 2.386 1 1 1225 . 14 1 1 A 101 101 SER H H 101 9.010 9.374 -0.364 1 1 1226 . 14 1 1 A 101 101 SER HA H 101 4.820 4.837 -0.017 1 1 1229 . 14 1 1 A 101 101 SER C C 101 174.660 175.685 -1.025 1 1 1230 . 14 1 1 A 101 101 SER CA C 101 55.900 57.229 -1.329 1 1 1231 . 14 1 1 A 101 101 SER CB C 101 67.000 64.805 2.195 1 1 1232 . 14 1 1 A 101 101 SER N N 101 123.850 122.466 1.384 1 1 1233 . 14 1 1 A 102 102 ALA H H 102 9.240 9.041 0.199 1 1 1234 . 14 1 1 A 102 102 ALA HA H 102 3.830 4.039 -0.209 1 1 1238 . 14 1 1 A 102 102 ALA C C 102 175.840 179.884 -4.044 1 1 1239 . 14 1 1 A 102 102 ALA CA C 102 56.170 55.780 0.390 1 1 1240 . 14 1 1 A 102 102 ALA CB C 102 18.200 17.995 0.205 1 1 1241 . 14 1 1 A 102 102 ALA N N 102 122.650 130.107 -7.457 1 1 1242 . 14 1 1 A 103 103 ALA H H 103 8.180 8.179 0.001 1 1 1243 . 14 1 1 A 103 103 ALA HA H 103 3.980 3.985 -0.005 1 1 1247 . 14 1 1 A 103 103 ALA C C 103 175.260 180.240 -4.980 1 1 1248 . 14 1 1 A 103 103 ALA CA C 103 55.200 55.213 -0.013 1 1 1249 . 14 1 1 A 103 103 ALA CB C 103 18.500 18.713 -0.213 1 1 1250 . 14 1 1 A 103 103 ALA N N 103 118.250 119.747 -1.497 1 1 1251 . 14 1 1 A 104 104 GLU H H 104 7.860 7.910 -0.050 1 1 1252 . 14 1 1 A 104 104 GLU HA H 104 3.890 3.902 -0.012 1 1 1257 . 14 1 1 A 104 104 GLU C C 104 179.350 179.030 0.320 1 1 1258 . 14 1 1 A 104 104 GLU CA C 104 59.800 59.355 0.445 1 1 1259 . 14 1 1 A 104 104 GLU CB C 104 29.500 29.723 -0.223 1 1 1261 . 14 1 1 A 104 104 GLU N N 104 120.200 118.072 2.128 1 1 1262 . 14 1 1 A 105 105 LEU H H 105 8.500 7.888 0.612 1 1 1263 . 14 1 1 A 105 105 LEU HA H 105 3.960 3.964 -0.004 1 1 1273 . 14 1 1 A 105 105 LEU C C 105 179.190 178.558 0.632 1 1 1274 . 14 1 1 A 105 105 LEU CA C 105 58.400 57.847 0.553 1 1 1275 . 14 1 1 A 105 105 LEU CB C 105 42.600 41.677 0.923 1 1 1279 . 14 1 1 A 105 105 LEU N N 105 120.100 121.156 -1.056 1 1 1280 . 14 1 1 A 106 106 ARG H H 106 8.490 8.280 0.210 1 1 1281 . 14 1 1 A 106 106 ARG HA H 106 3.550 3.931 -0.381 1 1 1288 . 14 1 1 A 106 106 ARG C C 106 175.240 178.386 -3.146 1 1 1289 . 14 1 1 A 106 106 ARG CA C 106 60.300 59.308 0.992 1 1 1290 . 14 1 1 A 106 106 ARG CB C 106 30.400 29.830 0.570 1 1 1293 . 14 1 1 A 106 106 ARG N N 106 117.300 120.091 -2.791 1 1 1294 . 14 1 1 A 107 107 HIS H H 107 7.870 7.970 -0.100 1 1 1295 . 14 1 1 A 107 107 HIS HA H 107 4.120 4.159 -0.039 1 1 1300 . 14 1 1 A 107 107 HIS C C 107 176.690 177.397 -0.707 1 1 1301 . 14 1 1 A 107 107 HIS CA C 107 60.300 59.310 0.990 1 1 1302 . 14 1 1 A 107 107 HIS CB C 107 31.100 29.606 1.494 1 1 1304 . 14 1 1 A 107 107 HIS N N 107 120.000 119.490 0.510 1 1 1306 . 14 1 1 A 108 108 VAL H H 108 8.190 8.604 -0.414 1 1 1307 . 14 1 1 A 108 108 VAL HA H 108 3.400 3.431 -0.031 1 1 1315 . 14 1 1 A 108 108 VAL C C 108 178.430 177.821 0.609 1 1 1316 . 14 1 1 A 108 108 VAL CA C 108 66.500 66.426 0.074 1 1 1317 . 14 1 1 A 108 108 VAL CB C 108 31.800 31.038 0.762 1 1 1320 . 14 1 1 A 108 108 VAL N N 108 118.980 119.534 -0.554 1 1 1321 . 14 1 1 A 109 109 MET H H 109 8.180 7.663 0.517 1 1 1322 . 14 1 1 A 109 109 MET HA H 109 4.220 4.040 0.180 1 1 1330 . 14 1 1 A 109 109 MET C C 109 179.690 178.932 0.758 1 1 1331 . 14 1 1 A 109 109 MET CA C 109 57.300 58.867 -1.567 1 1 1332 . 14 1 1 A 109 109 MET CB C 109 29.700 32.525 -2.825 1 1 1335 . 14 1 1 A 109 109 MET N N 109 114.980 117.541 -2.561 1 1 1336 . 14 1 1 A 110 110 THR H H 110 8.220 7.881 0.339 1 1 1337 . 14 1 1 A 110 110 THR HA H 110 4.000 3.758 0.242 1 1 1342 . 14 1 1 A 110 110 THR C C 110 176.410 176.418 -0.008 1 1 1343 . 14 1 1 A 110 110 THR CA C 110 67.100 67.018 0.082 1 1 1344 . 14 1 1 A 110 110 THR CB C 110 68.500 68.124 0.376 1 1 1346 . 14 1 1 A 110 110 THR N N 110 116.970 115.073 1.897 1 1 1347 . 14 1 1 A 111 111 ASN H H 111 7.780 7.678 0.102 1 1 1348 . 14 1 1 A 111 111 ASN HA H 111 4.320 4.484 -0.164 1 1 1353 . 14 1 1 A 111 111 ASN CA C 111 55.800 56.095 -0.295 1 1 1354 . 14 1 1 A 111 111 ASN CB C 111 38.200 37.948 0.252 1 1 1355 . 14 1 1 A 111 111 ASN N N 111 122.350 119.673 2.677 1 1 1357 . 14 1 1 A 112 112 LEU H H 112 7.480 7.467 0.013 1 1 1358 . 14 1 1 A 112 112 LEU HA H 112 4.210 4.262 -0.052 1 1 1368 . 14 1 1 A 112 112 LEU C C 112 178.710 177.018 1.692 1 1 1369 . 14 1 1 A 112 112 LEU CA C 112 55.100 55.227 -0.127 1 1 1370 . 14 1 1 A 112 112 LEU CB C 112 42.500 42.498 0.002 1 1 1374 . 14 1 1 A 112 112 LEU N N 112 118.300 117.110 1.190 1 1 1375 . 14 1 1 A 113 113 GLY H H 113 7.740 7.865 -0.125 1 1 1376 . 14 1 1 A 113 113 GLY HA2 H 113 3.580 3.927 -0.347 1 1 1377 . 14 1 1 A 113 113 GLY HA3 H 113 4.140 3.938 0.202 1 1 1378 . 14 1 1 A 113 113 GLY C C 113 176.830 174.821 2.009 1 1 1379 . 14 1 1 A 113 113 GLY CA C 113 45.370 46.407 -1.037 1 1 1380 . 14 1 1 A 113 113 GLY N N 113 106.500 108.211 -1.711 1 1 1381 . 14 1 1 A 114 114 GLU H H 114 7.780 8.285 -0.505 1 1 1382 . 14 1 1 A 114 114 GLU HA H 114 4.240 4.364 -0.124 1 1 1387 . 14 1 1 A 114 114 GLU C C 114 176.790 175.916 0.874 1 1 1388 . 14 1 1 A 114 114 GLU CA C 114 54.800 56.302 -1.502 1 1 1389 . 14 1 1 A 114 114 GLU CB C 114 29.900 30.374 -0.474 1 1 1391 . 14 1 1 A 114 114 GLU N N 114 119.300 118.810 0.490 1 1 1392 . 14 1 1 A 115 115 LYS H H 115 8.540 7.837 0.703 1 1 1393 . 14 1 1 A 115 115 LYS HA H 115 4.270 3.772 0.498 1 1 1402 . 14 1 1 A 115 115 LYS C C 115 174.300 175.615 -1.315 1 1 1403 . 14 1 1 A 115 115 LYS CA C 115 55.500 57.075 -1.575 1 1 1404 . 14 1 1 A 115 115 LYS CB C 115 31.900 30.324 1.576 1 1 1408 . 14 1 1 A 115 115 LYS N N 115 125.000 116.630 8.370 1 1 1409 . 14 1 1 A 116 116 LEU H H 116 8.000 7.945 0.055 1 1 1410 . 14 1 1 A 116 116 LEU HA H 116 4.630 4.338 0.292 1 1 1420 . 14 1 1 A 116 116 LEU C C 116 175.060 177.880 -2.820 1 1 1421 . 14 1 1 A 116 116 LEU CA C 116 54.100 54.747 -0.647 1 1 1422 . 14 1 1 A 116 116 LEU CB C 116 44.100 42.573 1.527 1 1 1426 . 14 1 1 A 116 116 LEU N N 116 123.620 120.239 3.381 1 1 1427 . 14 1 1 A 117 117 THR H H 117 9.140 8.336 0.804 1 1 1428 . 14 1 1 A 117 117 THR HA H 117 4.340 4.631 -0.291 1 1 1433 . 14 1 1 A 117 117 THR C C 117 175.610 175.270 0.340 1 1 1434 . 14 1 1 A 117 117 THR CA C 117 60.500 60.596 -0.096 1 1 1435 . 14 1 1 A 117 117 THR CB C 117 71.100 71.387 -0.287 1 1 1437 . 14 1 1 A 117 117 THR N N 117 114.240 115.015 -0.775 1 1 1438 . 14 1 1 A 118 118 ASP H H 118 8.820 8.915 -0.095 1 1 1439 . 14 1 1 A 118 118 ASP HA H 118 4.100 4.235 -0.135 1 1 1442 . 14 1 1 A 118 118 ASP C C 118 178.610 177.926 0.684 1 1 1443 . 14 1 1 A 118 118 ASP CA C 118 58.000 58.087 -0.087 1 1 1444 . 14 1 1 A 118 118 ASP CB C 118 39.700 41.167 -1.467 1 1 1445 . 14 1 1 A 118 118 ASP N N 118 120.660 121.823 -1.163 1 1 1446 . 14 1 1 A 119 119 GLU H H 119 8.450 8.296 0.154 1 1 1447 . 14 1 1 A 119 119 GLU HA H 119 3.960 3.991 -0.031 1 1 1452 . 14 1 1 A 119 119 GLU C C 119 175.620 179.304 -3.684 1 1 1453 . 14 1 1 A 119 119 GLU CA C 119 59.800 59.726 0.074 1 1 1454 . 14 1 1 A 119 119 GLU CB C 119 29.400 29.175 0.225 1 1 1456 . 14 1 1 A 119 119 GLU N N 119 118.790 118.648 0.142 1 1 1457 . 14 1 1 A 120 120 GLU H H 120 7.570 7.587 -0.017 1 1 1458 . 14 1 1 A 120 120 GLU HA H 120 3.950 4.183 -0.233 1 1 1463 . 14 1 1 A 120 120 GLU C C 120 178.630 178.942 -0.312 1 1 1464 . 14 1 1 A 120 120 GLU CA C 120 59.600 58.361 1.239 1 1 1465 . 14 1 1 A 120 120 GLU CB C 120 29.400 28.982 0.418 1 1 1467 . 14 1 1 A 120 120 GLU N N 120 120.120 119.457 0.663 1 1 1468 . 14 1 1 A 121 121 VAL H H 121 7.750 8.258 -0.508 1 1 1469 . 14 1 1 A 121 121 VAL HA H 121 3.240 3.561 -0.321 1 1 1477 . 14 1 1 A 121 121 VAL C C 121 179.110 177.557 1.553 1 1 1478 . 14 1 1 A 121 121 VAL CA C 121 67.300 66.375 0.925 1 1 1479 . 14 1 1 A 121 121 VAL CB C 121 31.550 31.493 0.057 1 1 1482 . 14 1 1 A 121 121 VAL N N 121 119.400 121.301 -1.901 1 1 1483 . 14 1 1 A 122 122 ASP H H 122 7.840 8.046 -0.206 1 1 1484 . 14 1 1 A 122 122 ASP HA H 122 4.260 4.358 -0.098 1 1 1487 . 14 1 1 A 122 122 ASP C C 122 178.890 178.735 0.155 1 1 1488 . 14 1 1 A 122 122 ASP CA C 122 57.700 57.127 0.573 1 1 1489 . 14 1 1 A 122 122 ASP CB C 122 40.200 40.109 0.091 1 1 1490 . 14 1 1 A 122 122 ASP N N 122 118.550 119.558 -1.008 1 1 1491 . 14 1 1 A 123 123 GLU H H 123 8.110 8.224 -0.114 1 1 1492 . 14 1 1 A 123 123 GLU HA H 123 3.880 4.060 -0.180 1 1 1497 . 14 1 1 A 123 123 GLU C C 123 177.710 178.962 -1.252 1 1 1498 . 14 1 1 A 123 123 GLU CA C 123 59.600 59.316 0.284 1 1 1499 . 14 1 1 A 123 123 GLU CB C 123 29.400 29.304 0.096 1 1 1501 . 14 1 1 A 123 123 GLU N N 123 119.670 119.987 -0.317 1 1 1502 . 14 1 1 A 124 124 MET H H 124 8.000 8.109 -0.109 1 1 1503 . 14 1 1 A 124 124 MET HA H 124 3.700 4.108 -0.408 1 1 1511 . 14 1 1 A 124 124 MET C C 124 179.020 178.805 0.215 1 1 1512 . 14 1 1 A 124 124 MET CA C 124 60.700 58.611 2.089 1 1 1513 . 14 1 1 A 124 124 MET CB C 124 33.200 32.674 0.526 1 1 1516 . 14 1 1 A 124 124 MET N N 124 118.100 118.752 -0.652 1 1 1517 . 14 1 1 A 125 125 ILE H H 125 8.220 7.732 0.488 1 1 1518 . 14 1 1 A 125 125 ILE HA H 125 3.610 3.630 -0.020 1 1 1528 . 14 1 1 A 125 125 ILE C C 125 179.410 177.772 1.638 1 1 1529 . 14 1 1 A 125 125 ILE CA C 125 64.200 65.082 -0.882 1 1 1530 . 14 1 1 A 125 125 ILE CB C 125 36.000 37.780 -1.780 1 1 1534 . 14 1 1 A 125 125 ILE N N 125 121.400 119.499 1.901 1 1 1535 . 14 1 1 A 126 126 ARG H H 126 8.510 8.008 0.502 1 1 1536 . 14 1 1 A 126 126 ARG HA H 126 3.930 3.927 0.003 1 1 1543 . 14 1 1 A 126 126 ARG C C 126 178.070 179.013 -0.943 1 1 1544 . 14 1 1 A 126 126 ARG CA C 126 59.500 59.873 -0.373 1 1 1545 . 14 1 1 A 126 126 ARG CB C 126 30.300 29.844 0.456 1 1 1548 . 14 1 1 A 126 126 ARG N N 126 117.650 119.913 -2.263 1 1 1549 . 14 1 1 A 127 127 GLU H H 127 7.820 8.239 -0.419 1 1 1550 . 14 1 1 A 127 127 GLU HA H 127 3.880 4.033 -0.153 1 1 1555 . 14 1 1 A 127 127 GLU C C 127 180.080 178.135 1.945 1 1 1556 . 14 1 1 A 127 127 GLU CA C 127 58.300 59.334 -1.034 1 1 1557 . 14 1 1 A 127 127 GLU CB C 127 29.800 29.296 0.504 1 1 1559 . 14 1 1 A 127 127 GLU N N 127 115.300 119.714 -4.414 1 1 1560 . 14 1 1 A 128 128 ALA H H 128 6.960 7.149 -0.189 1 1 1561 . 14 1 1 A 128 128 ALA HA H 128 4.340 4.397 -0.057 1 1 1565 . 14 1 1 A 128 128 ALA C C 128 181.640 177.201 4.439 1 1 1566 . 14 1 1 A 128 128 ALA CA C 128 51.700 51.987 -0.287 1 1 1567 . 14 1 1 A 128 128 ALA CB C 128 22.400 20.001 2.399 1 1 1568 . 14 1 1 A 128 128 ALA N N 128 115.890 120.286 -4.396 1 1 1569 . 14 1 1 A 129 129 ASP H H 129 8.210 7.665 0.545 1 1 1570 . 14 1 1 A 129 129 ASP HA H 129 4.360 4.559 -0.199 1 1 1573 . 14 1 1 A 129 129 ASP C C 129 176.420 176.727 -0.307 1 1 1574 . 14 1 1 A 129 129 ASP CA C 129 54.300 54.275 0.025 1 1 1575 . 14 1 1 A 129 129 ASP CB C 129 40.400 40.908 -0.508 1 1 1576 . 14 1 1 A 129 129 ASP N N 129 117.100 118.913 -1.813 1 1 1577 . 14 1 1 A 130 130 ILE H H 130 8.250 8.882 -0.632 1 1 1578 . 14 1 1 A 130 130 ILE HA H 130 3.800 3.991 -0.191 1 1 1588 . 14 1 1 A 130 130 ILE C C 130 177.960 175.597 2.363 1 1 1589 . 14 1 1 A 130 130 ILE CA C 130 63.500 62.709 0.791 1 1 1590 . 14 1 1 A 130 130 ILE CB C 130 38.500 38.274 0.226 1 1 1594 . 14 1 1 A 130 130 ILE N N 130 127.900 127.747 0.153 1 1 1595 . 14 1 1 A 131 131 ASP H H 131 8.220 7.687 0.533 1 1 1596 . 14 1 1 A 131 131 ASP HA H 131 4.400 4.994 -0.594 1 1 1599 . 14 1 1 A 131 131 ASP C C 131 175.850 175.919 -0.069 1 1 1600 . 14 1 1 A 131 131 ASP CA C 131 53.800 52.251 1.549 1 1 1601 . 14 1 1 A 131 131 ASP CB C 131 39.900 44.038 -4.138 1 1 1602 . 14 1 1 A 131 131 ASP N N 131 116.250 117.565 -1.315 1 1 1603 . 14 1 1 A 132 132 GLY H H 132 7.520 9.011 -1.491 1 1 1604 . 14 1 1 A 132 132 GLY HA2 H 132 3.700 3.901 -0.201 1 1 1605 . 14 1 1 A 132 132 GLY HA3 H 132 3.900 3.906 -0.006 1 1 1606 . 14 1 1 A 132 132 GLY C C 132 177.820 175.073 2.747 1 1 1607 . 14 1 1 A 132 132 GLY CA C 132 47.400 47.231 0.169 1 1 1608 . 14 1 1 A 132 132 GLY N N 132 108.170 107.745 0.425 1 1 1609 . 14 1 1 A 133 133 ASP H H 133 8.240 8.301 -0.061 1 1 1610 . 14 1 1 A 133 133 ASP HA H 133 4.360 4.559 -0.199 1 1 1613 . 14 1 1 A 133 133 ASP C C 133 178.290 177.575 0.715 1 1 1614 . 14 1 1 A 133 133 ASP CA C 133 53.800 53.491 0.309 1 1 1615 . 14 1 1 A 133 133 ASP CB C 133 40.300 40.315 -0.015 1 1 1616 . 14 1 1 A 133 133 ASP N N 133 120.370 120.266 0.104 1 1 1617 . 14 1 1 A 134 134 GLY H H 134 10.140 9.501 0.639 1 1 1618 . 14 1 1 A 134 134 GLY HA2 H 134 3.300 3.839 -0.539 1 1 1619 . 14 1 1 A 134 134 GLY HA3 H 134 3.930 3.849 0.081 1 1 1620 . 14 1 1 A 134 134 GLY C C 134 175.350 173.326 2.024 1 1 1621 . 14 1 1 A 134 134 GLY CA C 134 45.900 45.635 0.265 1 1 1622 . 14 1 1 A 134 134 GLY N N 134 112.150 111.336 0.814 1 1 1623 . 14 1 1 A 135 135 GLN H H 135 7.910 8.167 -0.257 1 1 1624 . 14 1 1 A 135 135 GLN HA H 135 4.870 5.007 -0.137 1 1 1631 . 14 1 1 A 135 135 GLN C C 135 177.620 174.529 3.091 1 1 1632 . 14 1 1 A 135 135 GLN CA C 135 53.300 53.677 -0.377 1 1 1633 . 14 1 1 A 135 135 GLN CB C 135 33.000 32.658 0.342 1 1 1635 . 14 1 1 A 135 135 GLN N N 135 114.700 118.567 -3.867 1 1 1637 . 14 1 1 A 136 136 VAL H H 136 9.070 8.900 0.170 1 1 1638 . 14 1 1 A 136 136 VAL HA H 136 5.110 5.114 -0.004 1 1 1646 . 14 1 1 A 136 136 VAL C C 136 172.750 175.349 -2.599 1 1 1647 . 14 1 1 A 136 136 VAL CA C 136 61.800 61.716 0.084 1 1 1648 . 14 1 1 A 136 136 VAL CB C 136 34.100 33.056 1.044 1 1 1651 . 14 1 1 A 136 136 VAL N N 136 124.900 122.430 2.470 1 1 1652 . 14 1 1 A 137 137 ASN H H 137 9.450 8.823 0.627 1 1 1653 . 14 1 1 A 137 137 ASN HA H 137 5.240 4.987 0.253 1 1 1658 . 14 1 1 A 137 137 ASN CA C 137 51.400 52.265 -0.865 1 1 1659 . 14 1 1 A 137 137 ASN CB C 137 40.000 40.213 -0.213 1 1 1660 . 14 1 1 A 137 137 ASN N N 137 128.840 126.484 2.356 1 1 1662 . 14 1 1 A 138 138 TYR H H 138 8.330 8.842 -0.512 1 1 1663 . 14 1 1 A 138 138 TYR HA H 138 3.240 4.295 -1.055 1 1 1670 . 14 1 1 A 138 138 TYR C C 138 180.030 177.495 2.535 1 1 1671 . 14 1 1 A 138 138 TYR CA C 138 62.400 62.327 0.073 1 1 1672 . 14 1 1 A 138 138 TYR CB C 138 38.000 38.452 -0.452 1 1 1677 . 14 1 1 A 138 138 TYR N N 138 118.150 126.021 -7.871 1 1 1678 . 14 1 1 A 139 139 GLU H H 139 7.990 8.475 -0.485 1 1 1679 . 14 1 1 A 139 139 GLU HA H 139 3.520 3.912 -0.392 1 1 1684 . 14 1 1 A 139 139 GLU C C 139 179.170 179.032 0.138 1 1 1685 . 14 1 1 A 139 139 GLU CA C 139 60.550 60.129 0.421 1 1 1686 . 14 1 1 A 139 139 GLU CB C 139 29.100 29.787 -0.687 1 1 1688 . 14 1 1 A 139 139 GLU N N 139 118.100 119.143 -1.043 1 1 1689 . 14 1 1 A 140 140 GLU H H 140 8.640 8.118 0.522 1 1 1690 . 14 1 1 A 140 140 GLU HA H 140 3.780 4.055 -0.275 1 1 1695 . 14 1 1 A 140 140 GLU C C 140 181.440 178.989 2.451 1 1 1696 . 14 1 1 A 140 140 GLU CA C 140 58.800 59.157 -0.357 1 1 1697 . 14 1 1 A 140 140 GLU CB C 140 29.200 29.612 -0.412 1 1 1699 . 14 1 1 A 140 140 GLU N N 140 119.300 119.466 -0.166 1 1 1700 . 14 1 1 A 141 141 PHE H H 141 8.470 8.152 0.318 1 1 1701 . 14 1 1 A 141 141 PHE HA H 141 3.380 3.949 -0.569 1 1 1709 . 14 1 1 A 141 141 PHE C C 141 178.980 176.828 2.152 1 1 1710 . 14 1 1 A 141 141 PHE CA C 141 61.900 61.294 0.606 1 1 1711 . 14 1 1 A 141 141 PHE CB C 141 40.200 39.234 0.966 1 1 1717 . 14 1 1 A 141 141 PHE N N 141 123.640 121.550 2.090 1 1 1718 . 14 1 1 A 142 142 VAL H H 142 8.510 8.201 0.309 1 1 1719 . 14 1 1 A 142 142 VAL HA H 142 3.000 3.295 -0.295 1 1 1727 . 14 1 1 A 142 142 VAL C C 142 176.540 177.575 -1.035 1 1 1728 . 14 1 1 A 142 142 VAL CA C 142 66.900 66.328 0.572 1 1 1729 . 14 1 1 A 142 142 VAL CB C 142 31.450 31.280 0.170 1 1 1732 . 14 1 1 A 142 142 VAL N N 142 118.330 118.870 -0.540 1 1 1733 . 14 1 1 A 143 143 GLN H H 143 7.520 8.139 -0.619 1 1 1734 . 14 1 1 A 143 143 GLN HA H 143 3.750 3.905 -0.155 1 1 1741 . 14 1 1 A 143 143 GLN C C 143 176.630 178.279 -1.649 1 1 1742 . 14 1 1 A 143 143 GLN CA C 143 58.900 59.230 -0.330 1 1 1743 . 14 1 1 A 143 143 GLN CB C 143 28.200 28.237 -0.037 1 1 1745 . 14 1 1 A 143 143 GLN N N 143 118.100 119.408 -1.308 1 1 1747 . 14 1 1 A 144 144 MET H H 144 7.250 7.875 -0.625 1 1 1748 . 14 1 1 A 144 144 MET HA H 144 4.090 4.146 -0.056 1 1 1756 . 14 1 1 A 144 144 MET C C 144 179.340 178.800 0.540 1 1 1757 . 14 1 1 A 144 144 MET CA C 144 56.750 57.971 -1.221 1 1 1758 . 14 1 1 A 144 144 MET CB C 144 30.800 31.863 -1.063 1 1 1761 . 14 1 1 A 144 144 MET N N 144 117.300 117.809 -0.509 1 1 1762 . 14 1 1 A 145 145 MET H H 145 7.460 7.574 -0.114 1 1 1763 . 14 1 1 A 145 145 MET HA H 145 3.900 4.103 -0.203 1 1 1771 . 14 1 1 A 145 145 MET C C 145 178.110 177.665 0.445 1 1 1772 . 14 1 1 A 145 145 MET CA C 145 56.800 58.057 -1.257 1 1 1773 . 14 1 1 A 145 145 MET CB C 145 31.800 33.685 -1.885 1 1 1776 . 14 1 1 A 145 145 MET N N 145 114.350 118.841 -4.491 1 1 1777 . 14 1 1 A 146 146 THR H H 146 7.560 8.273 -0.713 1 1 1778 . 14 1 1 A 146 146 THR HA H 146 4.220 4.222 -0.002 1 1 1783 . 14 1 1 A 146 146 THR C C 146 177.440 175.318 2.122 1 1 1784 . 14 1 1 A 146 146 THR CA C 146 62.650 64.029 -1.379 1 1 1785 . 14 1 1 A 146 146 THR CB C 146 69.700 69.238 0.462 1 1 1787 . 14 1 1 A 146 146 THR N N 146 109.350 109.550 -0.200 1 1 1788 . 14 1 1 A 147 147 ALA H H 147 7.420 7.654 -0.234 1 1 1789 . 14 1 1 A 147 147 ALA HA H 147 4.170 4.320 -0.150 1 1 1793 . 14 1 1 A 147 147 ALA C C 147 177.480 177.470 0.010 1 1 1794 . 14 1 1 A 147 147 ALA CA C 147 52.900 52.534 0.366 1 1 1795 . 14 1 1 A 147 147 ALA CB C 147 19.200 18.358 0.842 1 1 1796 . 14 1 1 A 147 147 ALA N N 147 125.650 123.082 2.568 1 1 1814 . 14 2 2 B 1 1 ARG H H 1088 8.270 8.124 0.146 1 1 1815 . 14 2 2 B 1 1 ARG HA H 1088 3.860 4.165 -0.305 1 1 1822 . 14 2 2 B 1 1 ARG CA C 1088 59.900 57.916 1.984 1 1 1823 . 14 2 2 B 1 1 ARG CB C 1088 29.900 30.308 -0.408 1 1 1826 . 14 2 2 B 1 1 ARG N N 1088 117.300 120.255 -2.955 1 1 1827 . 14 2 2 B 2 2 GLY H H 1089 9.370 8.168 1.202 1 1 1828 . 14 2 2 B 2 2 GLY HA2 H 1089 3.520 3.994 -0.474 1 1 1829 . 14 2 2 B 2 2 GLY HA3 H 1089 3.730 4.012 -0.282 1 1 1830 . 14 2 2 B 2 2 GLY C C 1089 176.650 175.644 1.006 1 1 1831 . 14 2 2 B 2 2 GLY CA C 1089 47.200 46.280 0.920 1 1 1832 . 14 2 2 B 2 2 GLY N N 1089 105.000 107.413 -2.413 1 1 1833 . 14 2 2 B 3 3 GLN H H 1090 6.980 7.940 -0.960 1 1 1834 . 14 2 2 B 3 3 GLN HA H 1090 3.830 4.136 -0.306 1 1 1841 . 14 2 2 B 3 3 GLN C C 1090 177.680 178.590 -0.910 1 1 1842 . 14 2 2 B 3 3 GLN CA C 1090 59.100 58.703 0.397 1 1 1843 . 14 2 2 B 3 3 GLN CB C 1090 29.800 28.648 1.152 1 1 1845 . 14 2 2 B 3 3 GLN N N 1090 117.350 119.473 -2.123 1 1 1847 . 14 2 2 B 4 4 ILE H H 1091 7.760 7.705 0.055 1 1 1848 . 14 2 2 B 4 4 ILE HA H 1091 3.480 3.755 -0.275 1 1 1858 . 14 2 2 B 4 4 ILE C C 1091 175.070 178.436 -3.366 1 1 1859 . 14 2 2 B 4 4 ILE CA C 1091 65.600 65.290 0.310 1 1 1860 . 14 2 2 B 4 4 ILE CB C 1091 38.000 37.956 0.044 1 1 1864 . 14 2 2 B 4 4 ILE N N 1091 119.650 121.258 -1.608 1 1 1865 . 14 2 2 B 5 5 LEU H H 1092 7.830 8.225 -0.395 1 1 1866 . 14 2 2 B 5 5 LEU HA H 1092 3.820 4.051 -0.231 1 1 1876 . 14 2 2 B 5 5 LEU C C 1092 176.220 178.583 -2.363 1 1 1877 . 14 2 2 B 5 5 LEU CA C 1092 58.250 58.409 -0.159 1 1 1878 . 14 2 2 B 5 5 LEU CB C 1092 41.700 41.750 -0.050 1 1 1882 . 14 2 2 B 5 5 LEU N N 1092 119.200 121.644 -2.444 1 1 1883 . 14 2 2 B 6 6 TRP H H 1093 7.650 8.496 -0.846 1 1 1884 . 14 2 2 B 6 6 TRP HA H 1093 4.120 4.404 -0.284 1 1 1893 . 14 2 2 B 6 6 TRP C C 1093 178.490 179.056 -0.566 1 1 1894 . 14 2 2 B 6 6 TRP CA C 1093 61.100 60.319 0.781 1 1 1895 . 14 2 2 B 6 6 TRP CB C 1093 30.000 29.809 0.191 1 1 1901 . 14 2 2 B 6 6 TRP N N 1093 119.200 119.982 -0.782 1 1 1903 . 14 2 2 B 7 7 PHE H H 1094 8.400 8.707 -0.307 1 1 1904 . 14 2 2 B 7 7 PHE HA H 1094 4.390 4.243 0.147 1 1 1912 . 14 2 2 B 7 7 PHE C C 1094 178.840 177.375 1.465 1 1 1913 . 14 2 2 B 7 7 PHE CA C 1094 59.700 61.525 -1.825 1 1 1914 . 14 2 2 B 7 7 PHE CB C 1094 37.000 39.273 -2.273 1 1 1919 . 14 2 2 B 7 7 PHE N N 1094 117.800 119.362 -1.562 1 1 1920 . 14 2 2 B 8 8 ARG H H 1095 8.360 8.151 0.209 1 1 1921 . 14 2 2 B 8 8 ARG HA H 1095 4.140 4.117 0.023 1 1 1928 . 14 2 2 B 8 8 ARG C C 1095 178.290 179.076 -0.786 1 1 1929 . 14 2 2 B 8 8 ARG CA C 1095 59.600 59.754 -0.154 1 1 1930 . 14 2 2 B 8 8 ARG CB C 1095 30.500 30.210 0.290 1 1 1933 . 14 2 2 B 8 8 ARG N N 1095 120.800 117.858 2.942 1 1 1934 . 14 2 2 B 9 9 GLY H H 1096 8.330 8.218 0.112 1 1 1935 . 14 2 2 B 9 9 GLY HA2 H 1096 3.560 3.598 -0.038 1 1 1936 . 14 2 2 B 9 9 GLY HA3 H 1096 3.720 3.627 0.093 1 1 1937 . 14 2 2 B 9 9 GLY C C 1096 178.010 175.477 2.533 1 1 1938 . 14 2 2 B 9 9 GLY CA C 1096 47.200 47.282 -0.082 1 1 1939 . 14 2 2 B 9 9 GLY N N 1096 106.400 107.160 -0.760 1 1 1940 . 14 2 2 B 10 10 LEU H H 1097 9.090 7.962 1.128 1 1 1941 . 14 2 2 B 10 10 LEU HA H 1097 4.150 3.892 0.258 1 1 1951 . 14 2 2 B 10 10 LEU C C 1097 178.820 178.302 0.518 1 1 1952 . 14 2 2 B 10 10 LEU CA C 1097 58.500 57.109 1.391 1 1 1953 . 14 2 2 B 10 10 LEU CB C 1097 41.600 40.912 0.688 1 1 1957 . 14 2 2 B 10 10 LEU N N 1097 120.900 122.553 -1.653 1 1 1958 . 14 2 2 B 11 11 ASN H H 1098 8.380 7.690 0.690 1 1 1959 . 14 2 2 B 11 11 ASN HA H 1098 4.440 4.172 0.268 1 1 1964 . 14 2 2 B 11 11 ASN CA C 1098 56.700 56.801 -0.101 1 1 1965 . 14 2 2 B 11 11 ASN CB C 1098 38.700 39.705 -1.005 1 1 1966 . 14 2 2 B 11 11 ASN N N 1098 116.900 116.972 -0.072 1 1 1968 . 14 2 2 B 12 12 ARG H H 1099 7.900 7.429 0.471 1 1 1969 . 14 2 2 B 12 12 ARG HA H 1099 3.980 4.073 -0.093 1 1 1976 . 14 2 2 B 12 12 ARG C C 1099 178.360 178.285 0.075 1 1 1977 . 14 2 2 B 12 12 ARG CA C 1099 60.200 59.045 1.155 1 1 1978 . 14 2 2 B 12 12 ARG CB C 1099 32.600 29.952 2.648 1 1 1981 . 14 2 2 B 12 12 ARG N N 1099 120.100 118.496 1.604 1 1 1982 . 14 2 2 B 13 13 ILE H H 1100 8.230 7.853 0.377 1 1 1983 . 14 2 2 B 13 13 ILE HA H 1100 3.840 3.628 0.212 1 1 1993 . 14 2 2 B 13 13 ILE C C 1100 178.110 177.910 0.200 1 1 1994 . 14 2 2 B 13 13 ILE CA C 1100 63.800 65.417 -1.617 1 1 1995 . 14 2 2 B 13 13 ILE CB C 1100 37.300 37.549 -0.249 1 1 1999 . 14 2 2 B 13 13 ILE N N 1100 120.350 120.809 -0.459 1 1 2000 . 14 2 2 B 14 14 GLN H H 1101 8.830 7.698 1.132 1 1 2001 . 14 2 2 B 14 14 GLN HA H 1101 3.990 3.922 0.068 1 1 2008 . 14 2 2 B 14 14 GLN C C 1101 177.860 178.804 -0.944 1 1 2009 . 14 2 2 B 14 14 GLN CA C 1101 60.000 59.076 0.924 1 1 2010 . 14 2 2 B 14 14 GLN CB C 1101 28.800 28.439 0.361 1 1 2012 . 14 2 2 B 14 14 GLN N N 1101 118.700 118.016 0.684 1 1 2014 . 14 2 2 B 15 15 THR H H 1102 8.140 7.682 0.458 1 1 2015 . 14 2 2 B 15 15 THR HA H 1102 3.890 3.772 0.118 1 1 2020 . 14 2 2 B 15 15 THR C C 1102 177.470 176.561 0.909 1 1 2021 . 14 2 2 B 15 15 THR CA C 1102 67.400 67.481 -0.081 1 1 2022 . 14 2 2 B 15 15 THR CB C 1102 70.300 68.517 1.783 1 1 2024 . 14 2 2 B 15 15 THR N N 1102 117.500 117.768 -0.268 1 1 2025 . 14 2 2 B 16 16 GLN H H 1103 8.320 8.337 -0.017 1 1 2026 . 14 2 2 B 16 16 GLN HA H 1103 4.100 3.941 0.159 1 1 2033 . 14 2 2 B 16 16 GLN C C 1103 178.890 178.700 0.190 1 1 2034 . 14 2 2 B 16 16 GLN CA C 1103 60.600 59.257 1.343 1 1 2035 . 14 2 2 B 16 16 GLN CB C 1103 30.500 28.456 2.044 1 1 2037 . 14 2 2 B 16 16 GLN N N 1103 120.650 119.131 1.519 1 1 2039 . 14 2 2 B 17 17 ILE H H 1104 8.690 7.451 1.239 1 1 2040 . 14 2 2 B 17 17 ILE HA H 1104 3.470 3.967 -0.497 1 1 2050 . 14 2 2 B 17 17 ILE C C 1104 175.230 178.020 -2.790 1 1 2051 . 14 2 2 B 17 17 ILE CA C 1104 66.150 62.379 3.771 1 1 2052 . 14 2 2 B 17 17 ILE CB C 1104 38.300 37.820 0.480 1 1 2056 . 14 2 2 B 17 17 ILE N N 1104 119.400 120.127 -0.727 1 1 2057 . 14 2 2 B 18 18 LYS H H 1105 7.950 9.028 -1.078 1 1 2058 . 14 2 2 B 18 18 LYS HA H 1105 3.900 3.991 -0.091 1 1 2067 . 14 2 2 B 18 18 LYS C C 1105 177.660 178.601 -0.941 1 1 2068 . 14 2 2 B 18 18 LYS CA C 1105 60.050 59.812 0.238 1 1 2069 . 14 2 2 B 18 18 LYS CB C 1105 32.700 32.179 0.521 1 1 2073 . 14 2 2 B 18 18 LYS N N 1105 120.280 123.491 -3.211 1 1 2074 . 14 2 2 B 19 19 VAL H H 1106 8.280 7.599 0.681 1 1 2075 . 14 2 2 B 19 19 VAL HA H 1106 3.430 3.785 -0.355 1 1 2083 . 14 2 2 B 19 19 VAL C C 1106 177.660 178.348 -0.688 1 1 2084 . 14 2 2 B 19 19 VAL CA C 1106 65.900 66.615 -0.715 1 1 2085 . 14 2 2 B 19 19 VAL CB C 1106 31.400 31.781 -0.381 1 1 2088 . 14 2 2 B 19 19 VAL N N 1106 120.660 119.345 1.315 1 1 2089 . 14 2 2 B 20 20 VAL H H 1107 8.420 8.035 0.385 1 1 2090 . 14 2 2 B 20 20 VAL HA H 1107 3.580 3.918 -0.338 1 1 2098 . 14 2 2 B 20 20 VAL C C 1107 178.930 178.234 0.696 1 1 2099 . 14 2 2 B 20 20 VAL CA C 1107 68.390 66.070 2.320 1 1 2100 . 14 2 2 B 20 20 VAL CB C 1107 31.200 31.485 -0.285 1 1 2103 . 14 2 2 B 20 20 VAL N N 1107 119.990 116.459 3.531 1 1 2104 . 14 2 2 B 21 21 LYS H H 1108 8.300 8.157 0.143 1 1 2105 . 14 2 2 B 21 21 LYS HA H 1108 4.050 4.139 -0.089 1 1 2114 . 14 2 2 B 21 21 LYS C C 1108 177.230 178.984 -1.754 1 1 2115 . 14 2 2 B 21 21 LYS CA C 1108 59.980 59.768 0.212 1 1 2116 . 14 2 2 B 21 21 LYS CB C 1108 32.400 32.129 0.271 1 1 2120 . 14 2 2 B 21 21 LYS N N 1108 119.290 122.147 -2.857 1 1 2121 . 14 2 2 B 22 22 ALA H H 1109 7.690 8.100 -0.410 1 1 2122 . 14 2 2 B 22 22 ALA HA H 1109 3.900 4.182 -0.282 1 1 2126 . 14 2 2 B 22 22 ALA C C 1109 178.200 179.698 -1.498 1 1 2127 . 14 2 2 B 22 22 ALA CA C 1109 54.950 55.217 -0.267 1 1 2128 . 14 2 2 B 22 22 ALA CB C 1109 22.000 18.793 3.207 1 1 2129 . 14 2 2 B 22 22 ALA N N 1109 123.910 122.045 1.865 1 1 2130 . 14 2 2 B 23 23 PHE H H 1110 7.920 8.339 -0.419 1 1 2131 . 14 2 2 B 23 23 PHE HA H 1110 4.120 4.233 -0.113 1 1 2139 . 14 2 2 B 23 23 PHE C C 1110 178.840 178.290 0.550 1 1 2140 . 14 2 2 B 23 23 PHE CA C 1110 61.260 60.653 0.607 1 1 2141 . 14 2 2 B 23 23 PHE CB C 1110 40.200 38.895 1.305 1 1 2147 . 14 2 2 B 23 23 PHE N N 1110 118.200 115.632 2.568 1 1 2148 . 14 2 2 B 24 24 HIS H H 1111 7.960 7.464 0.496 1 1 2149 . 14 2 2 B 24 24 HIS HA H 1111 4.530 4.391 0.139 1 1 2155 . 14 2 2 B 24 24 HIS C C 1111 178.710 175.171 3.539 1 1 2156 . 14 2 2 B 24 24 HIS CA C 1111 57.200 60.106 -2.906 1 1 2157 . 14 2 2 B 24 24 HIS CB C 1111 30.200 29.854 0.346 1 1 2160 . 14 2 2 B 24 24 HIS N N 1111 117.760 117.560 0.200 1 1 2162 . 14 2 2 B 25 25 SER H H 1112 7.980 8.643 -0.663 1 1 2163 . 14 2 2 B 25 25 SER HA H 1112 4.340 4.027 0.313 1 1 2166 . 14 2 2 B 25 25 SER C C 1112 177.230 173.551 3.679 1 1 2167 . 14 2 2 B 25 25 SER CA C 1112 58.570 59.246 -0.676 1 1 2168 . 14 2 2 B 25 25 SER CB C 1112 63.800 61.875 1.925 1 1 2169 . 14 2 2 B 25 25 SER N N 1112 116.970 114.513 2.457 1 1 9 . 15 1 1 A 2 2 ASP H H 2 8.220 8.619 -0.399 1 1 10 . 15 1 1 A 2 2 ASP HA H 2 4.500 4.393 0.107 1 1 13 . 15 1 1 A 2 2 ASP CA C 2 54.750 56.969 -2.219 1 1 14 . 15 1 1 A 2 2 ASP CB C 2 41.350 40.990 0.360 1 1 15 . 15 1 1 A 2 2 ASP N N 2 121.760 124.288 -2.528 1 1 16 . 15 1 1 A 3 3 GLN H H 3 8.320 7.763 0.557 1 1 17 . 15 1 1 A 3 3 GLN HA H 3 4.240 4.894 -0.654 1 1 24 . 15 1 1 A 3 3 GLN CA C 3 55.750 55.267 0.483 1 1 25 . 15 1 1 A 3 3 GLN CB C 3 29.700 29.700 0.000 1 1 27 . 15 1 1 A 3 3 GLN N N 3 119.800 117.437 2.363 1 1 29 . 15 1 1 A 4 4 LEU H H 4 8.250 8.575 -0.325 1 1 30 . 15 1 1 A 4 4 LEU HA H 4 4.540 4.473 0.067 1 1 40 . 15 1 1 A 4 4 LEU C C 4 175.740 176.658 -0.918 1 1 41 . 15 1 1 A 4 4 LEU CA C 4 54.600 55.294 -0.694 1 1 42 . 15 1 1 A 4 4 LEU CB C 4 43.600 44.169 -0.569 1 1 46 . 15 1 1 A 4 4 LEU N N 4 123.100 119.005 4.095 1 1 47 . 15 1 1 A 5 5 THR H H 5 8.680 7.519 1.161 1 1 48 . 15 1 1 A 5 5 THR HA H 5 4.350 4.292 0.058 1 1 53 . 15 1 1 A 5 5 THR C C 5 175.750 175.210 0.540 1 1 54 . 15 1 1 A 5 5 THR CA C 5 60.500 61.344 -0.844 1 1 55 . 15 1 1 A 5 5 THR CB C 5 71.100 70.083 1.017 1 1 57 . 15 1 1 A 5 5 THR N N 5 112.700 114.482 -1.782 1 1 58 . 15 1 1 A 6 6 GLU H H 6 8.950 8.973 -0.023 1 1 59 . 15 1 1 A 6 6 GLU HA H 6 3.880 3.889 -0.009 1 1 64 . 15 1 1 A 6 6 GLU C C 6 177.790 178.418 -0.628 1 1 65 . 15 1 1 A 6 6 GLU CA C 6 60.200 60.186 0.014 1 1 66 . 15 1 1 A 6 6 GLU CB C 6 29.300 29.634 -0.334 1 1 68 . 15 1 1 A 6 6 GLU N N 6 119.950 123.122 -3.172 1 1 69 . 15 1 1 A 7 7 GLU H H 7 8.660 8.081 0.579 1 1 70 . 15 1 1 A 7 7 GLU HA H 7 3.940 3.986 -0.046 1 1 75 . 15 1 1 A 7 7 GLU C C 7 175.460 179.118 -3.658 1 1 76 . 15 1 1 A 7 7 GLU CA C 7 60.200 59.739 0.461 1 1 77 . 15 1 1 A 7 7 GLU CB C 7 29.100 29.367 -0.267 1 1 79 . 15 1 1 A 7 7 GLU N N 7 119.250 119.085 0.165 1 1 80 . 15 1 1 A 8 8 GLN H H 8 7.670 7.624 0.046 1 1 81 . 15 1 1 A 8 8 GLN HA H 8 3.760 4.193 -0.433 1 1 88 . 15 1 1 A 8 8 GLN C C 8 179.600 178.599 1.001 1 1 89 . 15 1 1 A 8 8 GLN CA C 8 58.800 58.514 0.286 1 1 90 . 15 1 1 A 8 8 GLN CB C 8 29.300 28.223 1.077 1 1 92 . 15 1 1 A 8 8 GLN N N 8 120.000 119.133 0.867 1 1 94 . 15 1 1 A 9 9 ILE H H 9 8.280 8.716 -0.436 1 1 95 . 15 1 1 A 9 9 ILE HA H 9 3.580 3.702 -0.122 1 1 105 . 15 1 1 A 9 9 ILE C C 9 179.270 177.894 1.376 1 1 106 . 15 1 1 A 9 9 ILE CA C 9 66.400 65.607 0.793 1 1 107 . 15 1 1 A 9 9 ILE CB C 9 38.100 38.006 0.094 1 1 111 . 15 1 1 A 9 9 ILE N N 9 119.400 119.998 -0.598 1 1 112 . 15 1 1 A 10 10 ALA H H 10 7.950 8.177 -0.227 1 1 113 . 15 1 1 A 10 10 ALA HA H 10 4.020 4.016 0.004 1 1 117 . 15 1 1 A 10 10 ALA C C 10 178.490 179.479 -0.989 1 1 118 . 15 1 1 A 10 10 ALA CA C 10 55.400 55.847 -0.447 1 1 119 . 15 1 1 A 10 10 ALA CB C 10 17.950 18.273 -0.323 1 1 120 . 15 1 1 A 10 10 ALA N N 10 121.000 122.314 -1.314 1 1 121 . 15 1 1 A 11 11 GLU H H 11 7.730 8.014 -0.284 1 1 122 . 15 1 1 A 11 11 GLU HA H 11 4.030 4.104 -0.074 1 1 127 . 15 1 1 A 11 11 GLU C C 11 177.860 179.349 -1.489 1 1 128 . 15 1 1 A 11 11 GLU CA C 11 59.500 59.455 0.045 1 1 129 . 15 1 1 A 11 11 GLU CB C 11 29.500 29.642 -0.142 1 1 131 . 15 1 1 A 11 11 GLU N N 11 119.700 118.755 0.945 1 1 132 . 15 1 1 A 12 12 PHE H H 12 8.470 8.432 0.038 1 1 133 . 15 1 1 A 12 12 PHE HA H 12 4.910 4.288 0.622 1 1 141 . 15 1 1 A 12 12 PHE C C 12 181.140 178.099 3.041 1 1 142 . 15 1 1 A 12 12 PHE CA C 12 59.200 61.334 -2.134 1 1 143 . 15 1 1 A 12 12 PHE CB C 12 37.700 38.674 -0.974 1 1 149 . 15 1 1 A 12 12 PHE N N 12 119.900 119.561 0.339 1 1 150 . 15 1 1 A 13 13 LYS H H 13 9.180 8.578 0.602 1 1 151 . 15 1 1 A 13 13 LYS HA H 13 3.860 3.841 0.019 1 1 160 . 15 1 1 A 13 13 LYS C C 13 180.730 178.613 2.117 1 1 161 . 15 1 1 A 13 13 LYS CA C 13 60.300 60.033 0.267 1 1 162 . 15 1 1 A 13 13 LYS CB C 13 31.900 32.687 -0.787 1 1 166 . 15 1 1 A 13 13 LYS N N 13 124.000 120.465 3.535 1 1 167 . 15 1 1 A 14 14 GLU H H 14 7.770 8.037 -0.267 1 1 168 . 15 1 1 A 14 14 GLU HA H 14 4.050 4.028 0.022 1 1 173 . 15 1 1 A 14 14 GLU C C 14 178.750 178.985 -0.235 1 1 174 . 15 1 1 A 14 14 GLU CA C 14 59.300 59.505 -0.205 1 1 175 . 15 1 1 A 14 14 GLU CB C 14 29.300 29.304 -0.004 1 1 177 . 15 1 1 A 14 14 GLU N N 14 120.060 118.576 1.484 1 1 178 . 15 1 1 A 15 15 ALA H H 15 8.020 7.499 0.521 1 1 179 . 15 1 1 A 15 15 ALA HA H 15 4.110 4.111 -0.001 1 1 183 . 15 1 1 A 15 15 ALA C C 15 179.220 179.849 -0.629 1 1 184 . 15 1 1 A 15 15 ALA CA C 15 55.900 54.876 1.024 1 1 185 . 15 1 1 A 15 15 ALA CB C 15 18.430 17.962 0.468 1 1 186 . 15 1 1 A 15 15 ALA N N 15 121.660 122.565 -0.905 1 1 187 . 15 1 1 A 16 16 PHE H H 16 8.700 8.024 0.676 1 1 188 . 15 1 1 A 16 16 PHE HA H 16 3.190 3.550 -0.360 1 1 196 . 15 1 1 A 16 16 PHE C C 16 176.350 178.377 -2.027 1 1 197 . 15 1 1 A 16 16 PHE CA C 16 62.300 59.587 2.713 1 1 198 . 15 1 1 A 16 16 PHE CB C 16 39.800 37.837 1.963 1 1 204 . 15 1 1 A 16 16 PHE N N 16 118.400 116.445 1.955 1 1 205 . 15 1 1 A 17 17 SER H H 17 8.040 7.754 0.286 1 1 206 . 15 1 1 A 17 17 SER HA H 17 4.110 4.090 0.020 1 1 209 . 15 1 1 A 17 17 SER C C 17 178.820 176.461 2.359 1 1 210 . 15 1 1 A 17 17 SER CA C 17 61.600 61.451 0.149 1 1 211 . 15 1 1 A 17 17 SER CB C 17 63.200 62.917 0.283 1 1 212 . 15 1 1 A 17 17 SER N N 17 114.290 116.397 -2.107 1 1 213 . 15 1 1 A 18 18 LEU H H 18 7.440 7.745 -0.305 1 1 214 . 15 1 1 A 18 18 LEU HA H 18 3.970 3.967 0.003 1 1 224 . 15 1 1 A 18 18 LEU C C 18 178.630 178.018 0.612 1 1 225 . 15 1 1 A 18 18 LEU CA C 18 56.800 57.859 -1.059 1 1 226 . 15 1 1 A 18 18 LEU CB C 18 42.600 41.778 0.822 1 1 230 . 15 1 1 A 18 18 LEU N N 18 118.200 124.563 -6.363 1 1 231 . 15 1 1 A 19 19 PHE H H 19 7.330 6.343 0.987 1 1 232 . 15 1 1 A 19 19 PHE HA H 19 3.950 4.640 -0.690 1 1 240 . 15 1 1 A 19 19 PHE C C 19 174.460 175.340 -0.880 1 1 241 . 15 1 1 A 19 19 PHE CA C 19 59.300 57.082 2.218 1 1 242 . 15 1 1 A 19 19 PHE CB C 19 41.800 39.654 2.146 1 1 248 . 15 1 1 A 19 19 PHE N N 19 114.900 113.651 1.249 1 1 249 . 15 1 1 A 20 20 ASP H H 20 7.780 6.919 0.861 1 1 250 . 15 1 1 A 20 20 ASP HA H 20 4.480 5.080 -0.600 1 1 253 . 15 1 1 A 20 20 ASP C C 20 176.700 175.892 0.808 1 1 254 . 15 1 1 A 20 20 ASP CA C 20 52.400 53.460 -1.060 1 1 255 . 15 1 1 A 20 20 ASP CB C 20 39.400 39.232 0.168 1 1 256 . 15 1 1 A 20 20 ASP N N 20 117.700 122.224 -4.524 1 1 257 . 15 1 1 A 21 21 LYS H H 21 7.480 8.177 -0.697 1 1 258 . 15 1 1 A 21 21 LYS HA H 21 3.840 3.944 -0.104 1 1 267 . 15 1 1 A 21 21 LYS C C 21 175.550 177.373 -1.823 1 1 268 . 15 1 1 A 21 21 LYS CA C 21 58.300 59.413 -1.113 1 1 269 . 15 1 1 A 21 21 LYS CB C 21 32.600 32.588 0.012 1 1 273 . 15 1 1 A 21 21 LYS N N 21 124.200 126.007 -1.807 1 1 274 . 15 1 1 A 22 22 ASP H H 22 7.910 7.981 -0.071 1 1 275 . 15 1 1 A 22 22 ASP HA H 22 4.460 4.636 -0.176 1 1 278 . 15 1 1 A 22 22 ASP C C 22 176.920 177.712 -0.792 1 1 279 . 15 1 1 A 22 22 ASP CA C 22 53.400 53.087 0.313 1 1 280 . 15 1 1 A 22 22 ASP CB C 22 39.800 39.776 0.024 1 1 281 . 15 1 1 A 22 22 ASP N N 22 113.500 115.259 -1.759 1 1 282 . 15 1 1 A 23 23 GLY H H 23 7.540 7.986 -0.446 1 1 283 . 15 1 1 A 23 23 GLY HA2 H 23 3.730 3.867 -0.137 1 1 284 . 15 1 1 A 23 23 GLY HA3 H 23 3.730 3.869 -0.139 1 1 285 . 15 1 1 A 23 23 GLY C C 23 178.030 175.124 2.906 1 1 286 . 15 1 1 A 23 23 GLY CA C 23 47.400 47.210 0.190 1 1 287 . 15 1 1 A 23 23 GLY N N 23 109.200 108.955 0.245 1 1 288 . 15 1 1 A 24 24 ASP H H 24 8.430 8.086 0.344 1 1 289 . 15 1 1 A 24 24 ASP HA H 24 4.410 4.582 -0.172 1 1 292 . 15 1 1 A 24 24 ASP C C 24 177.580 177.566 0.014 1 1 293 . 15 1 1 A 24 24 ASP CA C 24 53.770 53.572 0.198 1 1 294 . 15 1 1 A 24 24 ASP CB C 24 40.200 40.315 -0.115 1 1 295 . 15 1 1 A 24 24 ASP N N 24 120.700 120.567 0.133 1 1 296 . 15 1 1 A 25 25 GLY H H 25 10.370 9.523 0.847 1 1 297 . 15 1 1 A 25 25 GLY HA2 H 25 4.240 3.977 0.263 1 1 298 . 15 1 1 A 25 25 GLY HA3 H 25 3.610 3.994 -0.384 1 1 299 . 15 1 1 A 25 25 GLY C C 25 175.160 173.593 1.567 1 1 300 . 15 1 1 A 25 25 GLY CA C 25 45.300 45.414 -0.114 1 1 301 . 15 1 1 A 25 25 GLY N N 25 112.100 112.117 -0.017 1 1 302 . 15 1 1 A 26 26 THR H H 26 8.060 7.809 0.251 1 1 303 . 15 1 1 A 26 26 THR HA H 26 5.430 5.000 0.430 1 1 308 . 15 1 1 A 26 26 THR C C 26 177.260 173.310 3.950 1 1 309 . 15 1 1 A 26 26 THR CA C 26 59.500 58.754 0.746 1 1 310 . 15 1 1 A 26 26 THR CB C 26 72.800 73.251 -0.451 1 1 312 . 15 1 1 A 26 26 THR N N 26 110.950 109.752 1.198 1 1 313 . 15 1 1 A 27 27 ILE H H 27 9.890 8.564 1.326 1 1 314 . 15 1 1 A 27 27 ILE HA H 27 4.680 5.079 -0.399 1 1 324 . 15 1 1 A 27 27 ILE C C 27 173.810 175.666 -1.856 1 1 325 . 15 1 1 A 27 27 ILE CA C 27 61.250 60.599 0.651 1 1 326 . 15 1 1 A 27 27 ILE CB C 27 40.700 38.522 2.178 1 1 330 . 15 1 1 A 27 27 ILE N N 27 125.400 124.461 0.939 1 1 331 . 15 1 1 A 28 28 THR H H 28 8.290 9.087 -0.797 1 1 332 . 15 1 1 A 28 28 THR HA H 28 4.680 4.926 -0.246 1 1 337 . 15 1 1 A 28 28 THR C C 28 173.550 176.172 -2.622 1 1 338 . 15 1 1 A 28 28 THR CA C 28 59.200 59.428 -0.228 1 1 339 . 15 1 1 A 28 28 THR CB C 28 72.600 72.074 0.526 1 1 341 . 15 1 1 A 28 28 THR N N 28 116.000 117.838 -1.838 1 1 342 . 15 1 1 A 29 29 THR H H 29 9.180 8.867 0.313 1 1 343 . 15 1 1 A 29 29 THR HA H 29 3.570 3.894 -0.324 1 1 348 . 15 1 1 A 29 29 THR C C 29 176.080 176.878 -0.798 1 1 349 . 15 1 1 A 29 29 THR CA C 29 66.100 66.616 -0.516 1 1 350 . 15 1 1 A 29 29 THR CB C 29 67.650 68.294 -0.644 1 1 352 . 15 1 1 A 29 29 THR N N 29 111.440 114.985 -3.545 1 1 353 . 15 1 1 A 30 30 LYS H H 30 7.340 8.152 -0.812 1 1 354 . 15 1 1 A 30 30 LYS HA H 30 3.960 3.931 0.029 1 1 363 . 15 1 1 A 30 30 LYS C C 30 176.660 178.995 -2.335 1 1 364 . 15 1 1 A 30 30 LYS CA C 30 59.100 59.679 -0.579 1 1 365 . 15 1 1 A 30 30 LYS CB C 30 32.700 32.146 0.554 1 1 369 . 15 1 1 A 30 30 LYS N N 30 120.350 121.754 -1.404 1 1 370 . 15 1 1 A 31 31 GLU H H 31 7.760 8.329 -0.569 1 1 371 . 15 1 1 A 31 31 GLU HA H 31 4.000 4.123 -0.123 1 1 376 . 15 1 1 A 31 31 GLU C C 31 177.230 179.004 -1.774 1 1 377 . 15 1 1 A 31 31 GLU CA C 31 59.600 58.940 0.660 1 1 378 . 15 1 1 A 31 31 GLU CB C 31 29.600 28.524 1.076 1 1 380 . 15 1 1 A 31 31 GLU N N 31 122.300 117.727 4.573 1 1 381 . 15 1 1 A 32 32 LEU H H 32 8.370 8.191 0.179 1 1 382 . 15 1 1 A 32 32 LEU HA H 32 4.060 3.868 0.192 1 1 392 . 15 1 1 A 32 32 LEU C C 32 179.400 178.636 0.764 1 1 393 . 15 1 1 A 32 32 LEU CA C 32 57.550 57.899 -0.349 1 1 394 . 15 1 1 A 32 32 LEU CB C 32 41.700 41.963 -0.263 1 1 398 . 15 1 1 A 32 32 LEU N N 32 120.100 122.913 -2.813 1 1 399 . 15 1 1 A 33 33 GLY H H 33 8.650 8.069 0.581 1 1 400 . 15 1 1 A 33 33 GLY HA2 H 33 3.450 3.847 -0.397 1 1 401 . 15 1 1 A 33 33 GLY HA3 H 33 3.800 3.849 -0.049 1 1 402 . 15 1 1 A 33 33 GLY C C 33 179.640 176.252 3.388 1 1 403 . 15 1 1 A 33 33 GLY CA C 33 48.300 47.586 0.714 1 1 404 . 15 1 1 A 33 33 GLY N N 33 105.700 106.147 -0.447 1 1 405 . 15 1 1 A 34 34 THR H H 34 8.070 7.967 0.103 1 1 406 . 15 1 1 A 34 34 THR HA H 34 3.790 4.011 -0.221 1 1 411 . 15 1 1 A 34 34 THR C C 34 178.670 175.966 2.704 1 1 412 . 15 1 1 A 34 34 THR CA C 34 67.300 67.114 0.186 1 1 413 . 15 1 1 A 34 34 THR CB C 34 68.700 68.617 0.083 1 1 415 . 15 1 1 A 34 34 THR N N 34 118.140 118.825 -0.685 1 1 416 . 15 1 1 A 35 35 VAL H H 35 7.510 7.740 -0.230 1 1 417 . 15 1 1 A 35 35 VAL HA H 35 3.480 3.565 -0.085 1 1 425 . 15 1 1 A 35 35 VAL C C 35 175.050 177.626 -2.576 1 1 426 . 15 1 1 A 35 35 VAL CA C 35 66.500 66.859 -0.359 1 1 427 . 15 1 1 A 35 35 VAL CB C 35 31.400 31.348 0.052 1 1 430 . 15 1 1 A 35 35 VAL N N 35 121.400 121.897 -0.497 1 1 431 . 15 1 1 A 36 36 MET H H 36 8.530 7.984 0.546 1 1 432 . 15 1 1 A 36 36 MET HA H 36 3.590 4.102 -0.512 1 1 440 . 15 1 1 A 36 36 MET C C 36 177.410 177.828 -0.418 1 1 441 . 15 1 1 A 36 36 MET CA C 36 61.900 58.549 3.351 1 1 442 . 15 1 1 A 36 36 MET CB C 36 32.600 31.082 1.518 1 1 445 . 15 1 1 A 36 36 MET N N 36 118.970 118.091 0.879 1 1 446 . 15 1 1 A 37 37 ARG H H 37 8.600 8.289 0.311 1 1 447 . 15 1 1 A 37 37 ARG HA H 37 4.720 4.061 0.659 1 1 454 . 15 1 1 A 37 37 ARG C C 37 179.250 178.787 0.463 1 1 455 . 15 1 1 A 37 37 ARG CA C 37 59.450 59.351 0.099 1 1 456 . 15 1 1 A 37 37 ARG CB C 37 30.200 30.148 0.052 1 1 459 . 15 1 1 A 37 37 ARG N N 37 118.400 120.273 -1.873 1 1 460 . 15 1 1 A 38 38 SER H H 38 7.830 7.732 0.098 1 1 461 . 15 1 1 A 38 38 SER HA H 38 4.240 4.368 -0.128 1 1 464 . 15 1 1 A 38 38 SER C C 38 178.480 176.819 1.661 1 1 465 . 15 1 1 A 38 38 SER CA C 38 62.100 60.788 1.312 1 1 466 . 15 1 1 A 38 38 SER CB C 38 63.400 63.017 0.383 1 1 467 . 15 1 1 A 38 38 SER N N 38 119.400 114.354 5.046 1 1 468 . 15 1 1 A 39 39 LEU H H 39 7.280 8.470 -1.190 1 1 469 . 15 1 1 A 39 39 LEU HA H 39 4.360 4.469 -0.109 1 1 479 . 15 1 1 A 39 39 LEU C C 39 178.240 176.773 1.467 1 1 480 . 15 1 1 A 39 39 LEU CA C 39 54.300 55.454 -1.154 1 1 481 . 15 1 1 A 39 39 LEU CB C 39 42.100 42.722 -0.622 1 1 485 . 15 1 1 A 39 39 LEU N N 39 119.950 122.024 -2.074 1 1 486 . 15 1 1 A 40 40 GLY H H 40 7.740 8.270 -0.530 1 1 487 . 15 1 1 A 40 40 GLY HA2 H 40 4.140 3.886 0.254 1 1 488 . 15 1 1 A 40 40 GLY HA3 H 40 3.650 3.888 -0.238 1 1 489 . 15 1 1 A 40 40 GLY C C 40 176.140 173.864 2.276 1 1 490 . 15 1 1 A 40 40 GLY CA C 40 45.300 45.653 -0.353 1 1 491 . 15 1 1 A 40 40 GLY N N 40 105.750 108.578 -2.828 1 1 492 . 15 1 1 A 41 41 GLN H H 41 7.710 7.846 -0.136 1 1 493 . 15 1 1 A 41 41 GLN HA H 41 4.360 4.700 -0.340 1 1 500 . 15 1 1 A 41 41 GLN C C 41 176.700 174.938 1.762 1 1 501 . 15 1 1 A 41 41 GLN CA C 41 54.900 54.081 0.819 1 1 502 . 15 1 1 A 41 41 GLN CB C 41 29.600 30.922 -1.322 1 1 504 . 15 1 1 A 41 41 GLN N N 41 118.400 119.128 -0.728 1 1 506 . 15 1 1 A 42 42 ASN H H 42 8.640 8.948 -0.308 1 1 507 . 15 1 1 A 42 42 ASN HA H 42 5.150 5.364 -0.214 1 1 512 . 15 1 1 A 42 42 ASN CA C 42 51.200 50.121 1.079 1 1 513 . 15 1 1 A 42 42 ASN CB C 42 39.500 38.944 0.556 1 1 514 . 15 1 1 A 42 42 ASN N N 42 115.610 121.792 -6.182 1 1 516 . 15 1 1 A 43 43 PRO HA H 43 4.540 4.575 -0.035 1 1 523 . 15 1 1 A 43 43 PRO C C 43 179.440 176.365 3.075 1 1 524 . 15 1 1 A 43 43 PRO CA C 43 62.450 62.905 -0.455 1 1 525 . 15 1 1 A 43 43 PRO CB C 43 31.500 31.811 -0.311 1 1 528 . 15 1 1 A 44 44 THR H H 44 8.660 8.485 0.175 1 1 529 . 15 1 1 A 44 44 THR HA H 44 4.340 4.544 -0.204 1 1 534 . 15 1 1 A 44 44 THR CA C 44 60.450 61.335 -0.885 1 1 535 . 15 1 1 A 44 44 THR CB C 44 71.400 69.921 1.479 1 1 537 . 15 1 1 A 44 44 THR N N 44 112.600 116.800 -4.200 1 1 538 . 15 1 1 A 45 45 GLU H H 45 8.720 9.075 -0.355 1 1 539 . 15 1 1 A 45 45 GLU HA H 45 3.870 3.905 -0.035 1 1 544 . 15 1 1 A 45 45 GLU C C 45 174.270 178.169 -3.899 1 1 545 . 15 1 1 A 45 45 GLU CA C 45 59.900 59.829 0.071 1 1 546 . 15 1 1 A 45 45 GLU CB C 45 29.200 29.276 -0.076 1 1 548 . 15 1 1 A 45 45 GLU N N 45 120.150 126.879 -6.729 1 1 549 . 15 1 1 A 46 46 ALA H H 46 8.200 8.341 -0.141 1 1 550 . 15 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 15 1 1 A 46 46 ALA C C 46 175.180 179.878 -4.698 1 1 555 . 15 1 1 A 46 46 ALA CA C 46 55.100 54.876 0.224 1 1 556 . 15 1 1 A 46 46 ALA CB C 46 18.300 18.239 0.061 1 1 557 . 15 1 1 A 46 46 ALA N N 46 120.450 121.463 -1.013 1 1 558 . 15 1 1 A 47 47 GLU H H 47 7.630 7.807 -0.177 1 1 559 . 15 1 1 A 47 47 GLU HA H 47 3.890 4.122 -0.232 1 1 564 . 15 1 1 A 47 47 GLU C C 47 179.020 178.943 0.077 1 1 565 . 15 1 1 A 47 47 GLU CA C 47 59.500 58.823 0.677 1 1 566 . 15 1 1 A 47 47 GLU CB C 47 29.600 29.321 0.279 1 1 568 . 15 1 1 A 47 47 GLU N N 47 118.320 118.474 -0.154 1 1 569 . 15 1 1 A 48 48 LEU H H 48 7.880 8.204 -0.324 1 1 570 . 15 1 1 A 48 48 LEU HA H 48 3.790 3.971 -0.181 1 1 580 . 15 1 1 A 48 48 LEU C C 48 180.200 179.874 0.326 1 1 581 . 15 1 1 A 48 48 LEU CA C 48 58.150 57.907 0.243 1 1 582 . 15 1 1 A 48 48 LEU CB C 48 42.800 41.671 1.129 1 1 586 . 15 1 1 A 48 48 LEU N N 48 119.000 120.129 -1.129 1 1 587 . 15 1 1 A 49 49 GLN H H 49 8.080 8.276 -0.196 1 1 588 . 15 1 1 A 49 49 GLN HA H 49 3.630 3.992 -0.362 1 1 595 . 15 1 1 A 49 49 GLN C C 49 177.680 177.577 0.103 1 1 596 . 15 1 1 A 49 49 GLN CA C 49 58.600 58.907 -0.307 1 1 597 . 15 1 1 A 49 49 GLN CB C 49 28.500 28.525 -0.025 1 1 599 . 15 1 1 A 49 49 GLN N N 49 117.400 118.802 -1.402 1 1 601 . 15 1 1 A 50 50 ASP H H 50 7.960 8.213 -0.253 1 1 602 . 15 1 1 A 50 50 ASP HA H 50 4.300 4.299 0.001 1 1 605 . 15 1 1 A 50 50 ASP C C 50 178.470 178.543 -0.073 1 1 606 . 15 1 1 A 50 50 ASP CA C 50 57.700 57.914 -0.214 1 1 607 . 15 1 1 A 50 50 ASP CB C 50 40.600 41.899 -1.299 1 1 608 . 15 1 1 A 50 50 ASP N N 50 119.050 119.542 -0.492 1 1 609 . 15 1 1 A 51 51 MET H H 51 7.750 8.286 -0.536 1 1 610 . 15 1 1 A 51 51 MET HA H 51 4.000 4.201 -0.201 1 1 618 . 15 1 1 A 51 51 MET C C 51 178.170 178.746 -0.576 1 1 619 . 15 1 1 A 51 51 MET CA C 51 59.500 58.441 1.059 1 1 620 . 15 1 1 A 51 51 MET CB C 51 34.700 33.007 1.693 1 1 623 . 15 1 1 A 51 51 MET N N 51 117.900 117.737 0.163 1 1 624 . 15 1 1 A 52 52 ILE H H 52 7.580 7.840 -0.260 1 1 625 . 15 1 1 A 52 52 ILE HA H 52 3.620 3.516 0.104 1 1 635 . 15 1 1 A 52 52 ILE C C 52 178.690 177.880 0.810 1 1 636 . 15 1 1 A 52 52 ILE CA C 52 63.600 65.286 -1.686 1 1 637 . 15 1 1 A 52 52 ILE CB C 52 36.700 37.819 -1.119 1 1 641 . 15 1 1 A 52 52 ILE N N 52 116.850 119.257 -2.407 1 1 642 . 15 1 1 A 53 53 ASN H H 53 8.570 8.403 0.167 1 1 643 . 15 1 1 A 53 53 ASN HA H 53 4.310 4.408 -0.098 1 1 648 . 15 1 1 A 53 53 ASN CA C 53 56.400 56.491 -0.091 1 1 649 . 15 1 1 A 53 53 ASN CB C 53 38.300 38.010 0.290 1 1 650 . 15 1 1 A 53 53 ASN N N 53 116.900 118.460 -1.560 1 1 652 . 15 1 1 A 54 54 GLU H H 54 7.520 7.692 -0.172 1 1 653 . 15 1 1 A 54 54 GLU HA H 54 3.950 4.085 -0.135 1 1 658 . 15 1 1 A 54 54 GLU C C 54 178.070 178.692 -0.622 1 1 659 . 15 1 1 A 54 54 GLU CA C 54 59.000 59.152 -0.152 1 1 660 . 15 1 1 A 54 54 GLU CB C 54 29.800 29.234 0.566 1 1 662 . 15 1 1 A 54 54 GLU N N 54 115.650 120.609 -4.959 1 1 663 . 15 1 1 A 55 55 VAL H H 55 7.020 7.202 -0.182 1 1 664 . 15 1 1 A 55 55 VAL HA H 55 4.110 4.011 0.099 1 1 672 . 15 1 1 A 55 55 VAL C C 55 177.890 176.407 1.483 1 1 673 . 15 1 1 A 55 55 VAL CA C 55 61.210 64.658 -3.448 1 1 674 . 15 1 1 A 55 55 VAL CB C 55 33.100 32.060 1.040 1 1 677 . 15 1 1 A 55 55 VAL N N 55 111.500 118.254 -6.754 1 1 678 . 15 1 1 A 56 56 ASP H H 56 7.460 7.912 -0.452 1 1 679 . 15 1 1 A 56 56 ASP HA H 56 4.360 4.631 -0.271 1 1 682 . 15 1 1 A 56 56 ASP C C 56 177.620 176.712 0.908 1 1 683 . 15 1 1 A 56 56 ASP CA C 56 53.550 53.479 0.071 1 1 684 . 15 1 1 A 56 56 ASP CB C 56 40.600 40.161 0.439 1 1 685 . 15 1 1 A 56 56 ASP N N 56 121.330 121.734 -0.404 1 1 686 . 15 1 1 A 57 57 ALA H H 57 7.780 8.215 -0.435 1 1 687 . 15 1 1 A 57 57 ALA HA H 57 4.080 4.056 0.024 1 1 691 . 15 1 1 A 57 57 ALA C C 57 175.320 178.271 -2.951 1 1 692 . 15 1 1 A 57 57 ALA CA C 57 55.000 55.141 -0.141 1 1 693 . 15 1 1 A 57 57 ALA CB C 57 19.800 18.522 1.278 1 1 694 . 15 1 1 A 57 57 ALA N N 57 130.400 128.147 2.253 1 1 695 . 15 1 1 A 58 58 ASP H H 58 8.140 8.095 0.045 1 1 696 . 15 1 1 A 58 58 ASP HA H 58 4.540 4.587 -0.047 1 1 699 . 15 1 1 A 58 58 ASP C C 58 176.130 177.533 -1.403 1 1 700 . 15 1 1 A 58 58 ASP CA C 58 52.950 53.184 -0.234 1 1 701 . 15 1 1 A 58 58 ASP CB C 58 40.100 40.033 0.067 1 1 702 . 15 1 1 A 58 58 ASP N N 58 113.200 113.180 0.020 1 1 703 . 15 1 1 A 59 59 GLY H H 59 7.530 7.710 -0.180 1 1 704 . 15 1 1 A 59 59 GLY HA2 H 59 3.700 3.919 -0.219 1 1 705 . 15 1 1 A 59 59 GLY HA3 H 59 3.820 3.921 -0.101 1 1 706 . 15 1 1 A 59 59 GLY C C 59 178.830 175.283 3.547 1 1 707 . 15 1 1 A 59 59 GLY CA C 59 47.450 46.979 0.471 1 1 708 . 15 1 1 A 59 59 GLY N N 59 108.180 109.268 -1.088 1 1 709 . 15 1 1 A 60 60 ASN H H 60 8.080 8.653 -0.573 1 1 710 . 15 1 1 A 60 60 ASN HA H 60 4.500 4.686 -0.186 1 1 715 . 15 1 1 A 60 60 ASN CA C 60 52.900 52.593 0.307 1 1 716 . 15 1 1 A 60 60 ASN CB C 60 37.900 37.879 0.021 1 1 717 . 15 1 1 A 60 60 ASN N N 60 118.700 118.573 0.127 1 1 719 . 15 1 1 A 61 61 GLY H H 61 10.640 10.175 0.465 1 1 720 . 15 1 1 A 61 61 GLY HA2 H 61 3.370 3.886 -0.516 1 1 721 . 15 1 1 A 61 61 GLY HA3 H 61 4.190 3.889 0.301 1 1 722 . 15 1 1 A 61 61 GLY C C 61 174.970 173.444 1.526 1 1 723 . 15 1 1 A 61 61 GLY CA C 61 45.300 45.397 -0.097 1 1 724 . 15 1 1 A 61 61 GLY N N 61 113.400 111.848 1.552 1 1 725 . 15 1 1 A 62 62 THR H H 62 7.550 7.713 -0.163 1 1 726 . 15 1 1 A 62 62 THR HA H 62 4.620 4.952 -0.332 1 1 731 . 15 1 1 A 62 62 THR C C 62 176.870 172.655 4.215 1 1 732 . 15 1 1 A 62 62 THR CA C 62 59.550 59.710 -0.160 1 1 733 . 15 1 1 A 62 62 THR CB C 62 72.500 72.608 -0.108 1 1 735 . 15 1 1 A 62 62 THR N N 62 107.860 109.833 -1.973 1 1 736 . 15 1 1 A 63 63 ILE H H 63 8.790 8.466 0.324 1 1 737 . 15 1 1 A 63 63 ILE HA H 63 5.280 5.098 0.182 1 1 747 . 15 1 1 A 63 63 ILE C C 63 173.250 175.299 -2.049 1 1 748 . 15 1 1 A 63 63 ILE CA C 63 57.600 59.822 -2.222 1 1 749 . 15 1 1 A 63 63 ILE CB C 63 39.400 40.093 -0.693 1 1 753 . 15 1 1 A 63 63 ILE N N 63 123.900 121.471 2.429 1 1 754 . 15 1 1 A 64 64 ASP H H 64 8.720 8.692 0.028 1 1 755 . 15 1 1 A 64 64 ASP HA H 64 5.350 5.115 0.235 1 1 758 . 15 1 1 A 64 64 ASP C C 64 172.850 176.327 -3.477 1 1 759 . 15 1 1 A 64 64 ASP CA C 64 52.100 52.233 -0.133 1 1 760 . 15 1 1 A 64 64 ASP CB C 64 42.150 42.272 -0.122 1 1 761 . 15 1 1 A 64 64 ASP N N 64 127.860 127.884 -0.024 1 1 762 . 15 1 1 A 65 65 PHE H H 65 8.840 9.226 -0.386 1 1 763 . 15 1 1 A 65 65 PHE HA H 65 3.890 4.890 -1.000 1 1 771 . 15 1 1 A 65 65 PHE C C 65 175.750 174.627 1.123 1 1 772 . 15 1 1 A 65 65 PHE CA C 65 63.300 63.963 -0.663 1 1 773 . 15 1 1 A 65 65 PHE CB C 65 36.100 37.437 -1.337 1 1 779 . 15 1 1 A 65 65 PHE N N 65 117.500 119.407 -1.907 1 1 780 . 15 1 1 A 66 66 PRO HA H 66 3.770 4.383 -0.613 1 1 787 . 15 1 1 A 66 66 PRO C C 66 175.840 179.514 -3.674 1 1 788 . 15 1 1 A 66 66 PRO CA C 66 67.100 66.506 0.594 1 1 789 . 15 1 1 A 66 66 PRO CB C 66 30.700 30.904 -0.204 1 1 792 . 15 1 1 A 67 67 GLU H H 67 8.340 8.798 -0.458 1 1 793 . 15 1 1 A 67 67 GLU HA H 67 3.920 4.150 -0.230 1 1 798 . 15 1 1 A 67 67 GLU CA C 67 59.400 59.199 0.201 1 1 799 . 15 1 1 A 67 67 GLU CB C 67 29.650 29.141 0.509 1 1 801 . 15 1 1 A 67 67 GLU N N 67 117.850 117.994 -0.144 1 1 802 . 15 1 1 A 68 68 PHE H H 68 8.630 8.324 0.306 1 1 803 . 15 1 1 A 68 68 PHE HA H 68 3.670 4.181 -0.511 1 1 811 . 15 1 1 A 68 68 PHE C C 68 174.810 177.470 -2.660 1 1 812 . 15 1 1 A 68 68 PHE CA C 68 61.400 61.357 0.043 1 1 813 . 15 1 1 A 68 68 PHE CB C 68 40.700 39.328 1.372 1 1 819 . 15 1 1 A 68 68 PHE N N 68 123.200 123.415 -0.215 1 1 820 . 15 1 1 A 69 69 LEU H H 69 8.800 8.797 0.003 1 1 821 . 15 1 1 A 69 69 LEU HA H 69 3.130 4.111 -0.981 1 1 831 . 15 1 1 A 69 69 LEU C C 69 179.310 179.152 0.158 1 1 832 . 15 1 1 A 69 69 LEU CA C 69 58.000 58.341 -0.341 1 1 833 . 15 1 1 A 69 69 LEU CB C 69 41.550 41.826 -0.276 1 1 837 . 15 1 1 A 69 69 LEU N N 69 119.930 120.221 -0.291 1 1 838 . 15 1 1 A 70 70 THR H H 70 7.550 8.036 -0.486 1 1 839 . 15 1 1 A 70 70 THR HA H 70 3.530 4.082 -0.552 1 1 844 . 15 1 1 A 70 70 THR C C 70 180.360 177.289 3.071 1 1 845 . 15 1 1 A 70 70 THR CA C 70 66.700 65.541 1.159 1 1 846 . 15 1 1 A 70 70 THR CB C 70 68.500 68.238 0.262 1 1 848 . 15 1 1 A 70 70 THR N N 70 114.730 111.295 3.435 1 1 849 . 15 1 1 A 71 71 MET H H 71 7.000 8.007 -1.007 1 1 850 . 15 1 1 A 71 71 MET HA H 71 3.640 4.095 -0.455 1 1 858 . 15 1 1 A 71 71 MET C C 71 176.750 178.292 -1.542 1 1 859 . 15 1 1 A 71 71 MET CA C 71 58.800 58.090 0.710 1 1 860 . 15 1 1 A 71 71 MET CB C 71 32.000 32.806 -0.806 1 1 863 . 15 1 1 A 71 71 MET N N 71 119.750 120.628 -0.878 1 1 864 . 15 1 1 A 72 72 MET H H 72 7.810 8.083 -0.273 1 1 865 . 15 1 1 A 72 72 MET HA H 72 3.880 4.130 -0.250 1 1 873 . 15 1 1 A 72 72 MET C C 72 174.850 178.288 -3.438 1 1 874 . 15 1 1 A 72 72 MET CA C 72 55.100 59.065 -3.965 1 1 875 . 15 1 1 A 72 72 MET CB C 72 28.900 33.054 -4.154 1 1 878 . 15 1 1 A 72 72 MET N N 72 115.300 118.573 -3.273 1 1 879 . 15 1 1 A 73 73 ALA H H 73 7.880 8.260 -0.380 1 1 880 . 15 1 1 A 73 73 ALA HA H 73 3.990 3.997 -0.007 1 1 884 . 15 1 1 A 73 73 ALA C C 73 177.940 178.829 -0.889 1 1 885 . 15 1 1 A 73 73 ALA CA C 73 53.900 55.329 -1.429 1 1 886 . 15 1 1 A 73 73 ALA CB C 73 18.600 18.283 0.317 1 1 887 . 15 1 1 A 73 73 ALA N N 73 120.000 121.017 -1.017 1 1 888 . 15 1 1 A 74 74 ARG H H 74 7.050 7.181 -0.131 1 1 889 . 15 1 1 A 74 74 ARG HA H 74 4.040 4.373 -0.333 1 1 896 . 15 1 1 A 74 74 ARG C C 74 178.910 176.797 2.113 1 1 897 . 15 1 1 A 74 74 ARG CA C 74 57.400 56.473 0.927 1 1 898 . 15 1 1 A 74 74 ARG CB C 74 30.900 30.568 0.332 1 1 901 . 15 1 1 A 74 74 ARG N N 74 115.850 115.581 0.269 1 1 902 . 15 1 1 A 75 75 LYS H H 75 7.820 7.536 0.284 1 1 903 . 15 1 1 A 75 75 LYS HA H 75 4.200 4.315 -0.115 1 1 912 . 15 1 1 A 75 75 LYS C C 75 178.770 176.564 2.206 1 1 913 . 15 1 1 A 75 75 LYS CA C 75 55.900 55.014 0.886 1 1 914 . 15 1 1 A 75 75 LYS CB C 75 32.600 30.928 1.672 1 1 918 . 15 1 1 A 75 75 LYS N N 75 119.600 120.940 -1.340 1 1 919 . 15 1 1 A 76 76 MET H H 76 8.100 8.239 -0.139 1 1 920 . 15 1 1 A 76 76 MET HA H 76 4.300 4.840 -0.540 1 1 928 . 15 1 1 A 76 76 MET C C 76 176.990 175.888 1.102 1 1 929 . 15 1 1 A 76 76 MET CA C 76 55.800 53.954 1.846 1 1 930 . 15 1 1 A 76 76 MET CB C 76 33.800 32.626 1.174 1 1 933 . 15 1 1 A 76 76 MET N N 76 122.300 124.457 -2.157 1 1 934 . 15 1 1 A 77 77 LYS H H 77 8.150 7.600 0.550 1 1 935 . 15 1 1 A 77 77 LYS HA H 77 4.210 4.094 0.116 1 1 944 . 15 1 1 A 77 77 LYS C C 77 176.890 175.790 1.100 1 1 945 . 15 1 1 A 77 77 LYS CA C 77 56.100 56.807 -0.707 1 1 946 . 15 1 1 A 77 77 LYS CB C 77 33.000 32.797 0.203 1 1 950 . 15 1 1 A 77 77 LYS N N 77 121.300 122.358 -1.058 1 1 951 . 15 1 1 A 78 78 ASP H H 78 8.240 8.584 -0.344 1 1 952 . 15 1 1 A 78 78 ASP HA H 78 4.500 4.953 -0.453 1 1 955 . 15 1 1 A 78 78 ASP C C 78 176.090 175.040 1.050 1 1 956 . 15 1 1 A 78 78 ASP CA C 78 54.700 53.720 0.980 1 1 957 . 15 1 1 A 78 78 ASP CB C 78 41.300 41.503 -0.203 1 1 958 . 15 1 1 A 78 78 ASP N N 78 122.200 125.699 -3.499 1 1 959 . 15 1 1 A 79 79 THR H H 79 8.150 8.761 -0.611 1 1 960 . 15 1 1 A 79 79 THR HA H 79 4.220 4.705 -0.485 1 1 965 . 15 1 1 A 79 79 THR C C 79 176.240 174.019 2.221 1 1 966 . 15 1 1 A 79 79 THR CA C 79 61.500 62.474 -0.974 1 1 967 . 15 1 1 A 79 79 THR CB C 79 70.300 69.695 0.605 1 1 969 . 15 1 1 A 79 79 THR N N 79 114.940 120.834 -5.894 1 1 970 . 15 1 1 A 80 80 ASP H H 80 8.480 8.887 -0.407 1 1 971 . 15 1 1 A 80 80 ASP HA H 80 4.600 4.653 -0.053 1 1 974 . 15 1 1 A 80 80 ASP C C 80 176.230 176.807 -0.577 1 1 975 . 15 1 1 A 80 80 ASP CA C 80 54.100 54.677 -0.577 1 1 976 . 15 1 1 A 80 80 ASP CB C 80 41.600 40.695 0.905 1 1 977 . 15 1 1 A 80 80 ASP N N 80 123.800 127.855 -4.055 1 1 978 . 15 1 1 A 81 81 SER H H 81 8.500 8.944 -0.444 1 1 979 . 15 1 1 A 81 81 SER HA H 81 4.220 4.094 0.126 1 1 982 . 15 1 1 A 81 81 SER C C 81 173.900 176.372 -2.472 1 1 983 . 15 1 1 A 81 81 SER CA C 81 60.400 61.708 -1.308 1 1 984 . 15 1 1 A 81 81 SER CB C 81 63.700 62.689 1.011 1 1 985 . 15 1 1 A 81 81 SER N N 81 118.450 120.392 -1.942 1 1 986 . 15 1 1 A 82 82 GLU H H 82 8.430 8.031 0.399 1 1 987 . 15 1 1 A 82 82 GLU HA H 82 4.010 4.087 -0.077 1 1 992 . 15 1 1 A 82 82 GLU C C 82 176.370 178.511 -2.141 1 1 993 . 15 1 1 A 82 82 GLU CA C 82 59.100 59.076 0.024 1 1 994 . 15 1 1 A 82 82 GLU CB C 82 29.600 29.253 0.347 1 1 996 . 15 1 1 A 82 82 GLU N N 82 121.850 121.805 0.045 1 1 997 . 15 1 1 A 83 83 GLU H H 83 8.020 8.770 -0.750 1 1 998 . 15 1 1 A 83 83 GLU HA H 83 4.040 4.037 0.003 1 1 1003 . 15 1 1 A 83 83 GLU C C 83 175.890 178.813 -2.923 1 1 1004 . 15 1 1 A 83 83 GLU CA C 83 58.800 59.693 -0.893 1 1 1005 . 15 1 1 A 83 83 GLU CB C 83 29.400 29.120 0.280 1 1 1007 . 15 1 1 A 83 83 GLU N N 83 119.470 119.139 0.331 1 1 1008 . 15 1 1 A 84 84 GLU H H 84 7.930 7.956 -0.026 1 1 1009 . 15 1 1 A 84 84 GLU HA H 84 4.150 4.091 0.059 1 1 1014 . 15 1 1 A 84 84 GLU C C 84 176.160 178.315 -2.155 1 1 1015 . 15 1 1 A 84 84 GLU CA C 84 59.400 58.965 0.435 1 1 1016 . 15 1 1 A 84 84 GLU CB C 84 29.600 29.601 -0.001 1 1 1018 . 15 1 1 A 84 84 GLU N N 84 118.310 119.878 -1.568 1 1 1019 . 15 1 1 A 85 85 ILE H H 85 7.880 7.634 0.246 1 1 1020 . 15 1 1 A 85 85 ILE HA H 85 3.880 4.008 -0.128 1 1 1030 . 15 1 1 A 85 85 ILE C C 85 179.870 177.863 2.007 1 1 1031 . 15 1 1 A 85 85 ILE CA C 85 65.400 65.026 0.374 1 1 1032 . 15 1 1 A 85 85 ILE CB C 85 37.400 37.495 -0.095 1 1 1036 . 15 1 1 A 85 85 ILE N N 85 120.900 118.628 2.272 1 1 1037 . 15 1 1 A 86 86 ARG H H 86 7.990 7.821 0.169 1 1 1038 . 15 1 1 A 86 86 ARG HA H 86 4.030 4.136 -0.106 1 1 1045 . 15 1 1 A 86 86 ARG C C 86 180.520 178.625 1.895 1 1 1046 . 15 1 1 A 86 86 ARG CA C 86 60.200 59.090 1.110 1 1 1047 . 15 1 1 A 86 86 ARG CB C 86 29.800 30.230 -0.430 1 1 1050 . 15 1 1 A 86 86 ARG N N 86 121.000 121.483 -0.483 1 1 1051 . 15 1 1 A 87 87 GLU H H 87 8.350 8.834 -0.484 1 1 1052 . 15 1 1 A 87 87 GLU HA H 87 3.900 4.064 -0.164 1 1 1057 . 15 1 1 A 87 87 GLU C C 87 177.380 179.452 -2.072 1 1 1058 . 15 1 1 A 87 87 GLU CA C 87 59.600 59.436 0.164 1 1 1059 . 15 1 1 A 87 87 GLU CB C 87 29.500 29.611 -0.111 1 1 1061 . 15 1 1 A 87 87 GLU N N 87 117.860 119.557 -1.697 1 1 1062 . 15 1 1 A 88 88 ALA H H 88 7.880 7.898 -0.018 1 1 1063 . 15 1 1 A 88 88 ALA HA H 88 4.060 4.228 -0.168 1 1 1067 . 15 1 1 A 88 88 ALA C C 88 178.580 179.654 -1.074 1 1 1068 . 15 1 1 A 88 88 ALA CA C 88 55.200 54.624 0.576 1 1 1069 . 15 1 1 A 88 88 ALA CB C 88 17.900 18.323 -0.423 1 1 1070 . 15 1 1 A 88 88 ALA N N 88 120.100 122.298 -2.198 1 1 1071 . 15 1 1 A 89 89 PHE H H 89 8.550 7.896 0.654 1 1 1072 . 15 1 1 A 89 89 PHE HA H 89 4.000 3.656 0.344 1 1 1080 . 15 1 1 A 89 89 PHE C C 89 179.770 177.523 2.247 1 1 1081 . 15 1 1 A 89 89 PHE CA C 89 61.800 61.210 0.590 1 1 1082 . 15 1 1 A 89 89 PHE CB C 89 39.130 38.998 0.132 1 1 1088 . 15 1 1 A 89 89 PHE N N 89 118.760 119.592 -0.832 1 1 1089 . 15 1 1 A 90 90 ARG H H 90 7.750 7.816 -0.066 1 1 1090 . 15 1 1 A 90 90 ARG HA H 90 3.760 3.915 -0.155 1 1 1097 . 15 1 1 A 90 90 ARG C C 90 179.090 179.156 -0.066 1 1 1098 . 15 1 1 A 90 90 ARG CA C 90 58.800 59.332 -0.532 1 1 1099 . 15 1 1 A 90 90 ARG CB C 90 30.500 30.144 0.356 1 1 1102 . 15 1 1 A 90 90 ARG N N 90 115.100 117.788 -2.688 1 1 1103 . 15 1 1 A 91 91 VAL H H 91 7.270 7.503 -0.233 1 1 1104 . 15 1 1 A 91 91 VAL HA H 91 3.360 3.572 -0.212 1 1 1112 . 15 1 1 A 91 91 VAL C C 91 179.060 178.182 0.878 1 1 1113 . 15 1 1 A 91 91 VAL CA C 91 66.050 66.365 -0.315 1 1 1114 . 15 1 1 A 91 91 VAL CB C 91 31.200 31.816 -0.616 1 1 1117 . 15 1 1 A 91 91 VAL N N 91 117.450 120.249 -2.799 1 1 1118 . 15 1 1 A 92 92 PHE H H 92 7.000 7.819 -0.819 1 1 1119 . 15 1 1 A 92 92 PHE HA H 92 4.070 4.155 -0.085 1 1 1127 . 15 1 1 A 92 92 PHE C C 92 177.490 176.337 1.153 1 1 1128 . 15 1 1 A 92 92 PHE CA C 92 60.700 59.932 0.768 1 1 1129 . 15 1 1 A 92 92 PHE CB C 92 38.000 39.456 -1.456 1 1 1135 . 15 1 1 A 92 92 PHE N N 92 114.400 118.471 -4.071 1 1 1136 . 15 1 1 A 93 93 ASP H H 93 7.870 8.047 -0.177 1 1 1137 . 15 1 1 A 93 93 ASP HA H 93 4.450 4.476 -0.026 1 1 1140 . 15 1 1 A 93 93 ASP C C 93 176.830 176.769 0.061 1 1 1141 . 15 1 1 A 93 93 ASP CA C 93 52.300 52.510 -0.210 1 1 1142 . 15 1 1 A 93 93 ASP CB C 93 38.800 39.498 -0.698 1 1 1143 . 15 1 1 A 93 93 ASP N N 93 115.100 117.161 -2.061 1 1 1144 . 15 1 1 A 94 94 LYS H H 94 7.510 7.902 -0.392 1 1 1145 . 15 1 1 A 94 94 LYS HA H 94 3.770 4.103 -0.333 1 1 1154 . 15 1 1 A 94 94 LYS C C 94 176.650 178.001 -1.351 1 1 1155 . 15 1 1 A 94 94 LYS CA C 94 59.400 58.829 0.571 1 1 1156 . 15 1 1 A 94 94 LYS CB C 94 32.800 32.759 0.041 1 1 1160 . 15 1 1 A 94 94 LYS N N 94 124.250 125.582 -1.332 1 1 1161 . 15 1 1 A 95 95 ASP H H 95 8.190 7.476 0.714 1 1 1162 . 15 1 1 A 95 95 ASP HA H 95 4.430 4.595 -0.165 1 1 1165 . 15 1 1 A 95 95 ASP C C 95 177.580 177.618 -0.038 1 1 1166 . 15 1 1 A 95 95 ASP CA C 95 53.600 53.182 0.418 1 1 1167 . 15 1 1 A 95 95 ASP CB C 95 39.900 39.932 -0.032 1 1 1168 . 15 1 1 A 95 95 ASP N N 95 113.600 114.470 -0.870 1 1 1169 . 15 1 1 A 96 96 GLY H H 96 7.770 7.957 -0.187 1 1 1170 . 15 1 1 A 96 96 GLY HA2 H 96 3.750 3.901 -0.151 1 1 1171 . 15 1 1 A 96 96 GLY HA3 H 96 3.750 3.907 -0.157 1 1 1172 . 15 1 1 A 96 96 GLY C C 96 178.400 175.501 2.899 1 1 1173 . 15 1 1 A 96 96 GLY CA C 96 47.100 47.035 0.065 1 1 1174 . 15 1 1 A 96 96 GLY N N 96 108.900 109.118 -0.218 1 1 1175 . 15 1 1 A 97 97 ASN H H 97 8.270 8.070 0.200 1 1 1176 . 15 1 1 A 97 97 ASN HA H 97 4.520 4.760 -0.240 1 1 1181 . 15 1 1 A 97 97 ASN CA C 97 52.900 52.476 0.424 1 1 1182 . 15 1 1 A 97 97 ASN CB C 97 38.100 38.043 0.057 1 1 1183 . 15 1 1 A 97 97 ASN N N 97 119.460 118.874 0.586 1 1 1185 . 15 1 1 A 98 98 GLY H H 98 10.660 9.265 1.395 1 1 1186 . 15 1 1 A 98 98 GLY HA2 H 98 3.330 3.922 -0.592 1 1 1187 . 15 1 1 A 98 98 GLY HA3 H 98 3.960 3.928 0.032 1 1 1188 . 15 1 1 A 98 98 GLY C C 98 178.360 172.892 5.468 1 1 1189 . 15 1 1 A 98 98 GLY CA C 98 45.800 45.494 0.306 1 1 1190 . 15 1 1 A 98 98 GLY N N 98 112.700 111.410 1.290 1 1 1191 . 15 1 1 A 99 99 TYR H H 99 7.570 8.742 -1.172 1 1 1192 . 15 1 1 A 99 99 TYR HA H 99 4.850 5.324 -0.474 1 1 1199 . 15 1 1 A 99 99 TYR C C 99 176.090 175.079 1.011 1 1 1200 . 15 1 1 A 99 99 TYR CA C 99 56.250 55.974 0.276 1 1 1201 . 15 1 1 A 99 99 TYR CB C 99 42.700 43.176 -0.476 1 1 1206 . 15 1 1 A 99 99 TYR N N 99 115.850 117.422 -1.572 1 1 1207 . 15 1 1 A 100 100 ILE H H 100 10.120 9.164 0.956 1 1 1208 . 15 1 1 A 100 100 ILE HA H 100 4.600 4.821 -0.221 1 1 1218 . 15 1 1 A 100 100 ILE C C 100 172.730 175.490 -2.760 1 1 1219 . 15 1 1 A 100 100 ILE CA C 100 61.500 60.486 1.014 1 1 1220 . 15 1 1 A 100 100 ILE CB C 100 39.300 39.081 0.219 1 1 1224 . 15 1 1 A 100 100 ILE N N 100 127.260 124.946 2.314 1 1 1225 . 15 1 1 A 101 101 SER H H 101 9.010 9.615 -0.605 1 1 1226 . 15 1 1 A 101 101 SER HA H 101 4.820 4.644 0.176 1 1 1229 . 15 1 1 A 101 101 SER C C 101 174.660 175.669 -1.009 1 1 1230 . 15 1 1 A 101 101 SER CA C 101 55.900 58.051 -2.151 1 1 1231 . 15 1 1 A 101 101 SER CB C 101 67.000 64.554 2.446 1 1 1232 . 15 1 1 A 101 101 SER N N 101 123.850 123.715 0.135 1 1 1233 . 15 1 1 A 102 102 ALA H H 102 9.240 9.047 0.193 1 1 1234 . 15 1 1 A 102 102 ALA HA H 102 3.830 4.056 -0.226 1 1 1238 . 15 1 1 A 102 102 ALA C C 102 175.840 179.846 -4.006 1 1 1239 . 15 1 1 A 102 102 ALA CA C 102 56.170 55.814 0.356 1 1 1240 . 15 1 1 A 102 102 ALA CB C 102 18.200 17.966 0.234 1 1 1241 . 15 1 1 A 102 102 ALA N N 102 122.650 126.742 -4.092 1 1 1242 . 15 1 1 A 103 103 ALA H H 103 8.180 8.143 0.037 1 1 1243 . 15 1 1 A 103 103 ALA HA H 103 3.980 3.980 0.000 1 1 1247 . 15 1 1 A 103 103 ALA C C 103 175.260 180.261 -5.001 1 1 1248 . 15 1 1 A 103 103 ALA CA C 103 55.200 55.209 -0.009 1 1 1249 . 15 1 1 A 103 103 ALA CB C 103 18.500 18.676 -0.176 1 1 1250 . 15 1 1 A 103 103 ALA N N 103 118.250 119.506 -1.256 1 1 1251 . 15 1 1 A 104 104 GLU H H 104 7.860 7.909 -0.049 1 1 1252 . 15 1 1 A 104 104 GLU HA H 104 3.890 3.912 -0.022 1 1 1257 . 15 1 1 A 104 104 GLU C C 104 179.350 179.444 -0.094 1 1 1258 . 15 1 1 A 104 104 GLU CA C 104 59.800 59.497 0.303 1 1 1259 . 15 1 1 A 104 104 GLU CB C 104 29.500 29.551 -0.051 1 1 1261 . 15 1 1 A 104 104 GLU N N 104 120.200 118.072 2.128 1 1 1262 . 15 1 1 A 105 105 LEU H H 105 8.500 8.284 0.216 1 1 1263 . 15 1 1 A 105 105 LEU HA H 105 3.960 3.839 0.121 1 1 1273 . 15 1 1 A 105 105 LEU C C 105 179.190 178.491 0.699 1 1 1274 . 15 1 1 A 105 105 LEU CA C 105 58.400 57.888 0.512 1 1 1275 . 15 1 1 A 105 105 LEU CB C 105 42.600 41.055 1.545 1 1 1279 . 15 1 1 A 105 105 LEU N N 105 120.100 120.309 -0.209 1 1 1280 . 15 1 1 A 106 106 ARG H H 106 8.490 8.271 0.219 1 1 1281 . 15 1 1 A 106 106 ARG HA H 106 3.550 3.940 -0.390 1 1 1288 . 15 1 1 A 106 106 ARG C C 106 175.240 178.555 -3.315 1 1 1289 . 15 1 1 A 106 106 ARG CA C 106 60.300 59.205 1.095 1 1 1290 . 15 1 1 A 106 106 ARG CB C 106 30.400 29.927 0.473 1 1 1293 . 15 1 1 A 106 106 ARG N N 106 117.300 119.645 -2.345 1 1 1294 . 15 1 1 A 107 107 HIS H H 107 7.870 7.978 -0.108 1 1 1295 . 15 1 1 A 107 107 HIS HA H 107 4.120 4.133 -0.013 1 1 1300 . 15 1 1 A 107 107 HIS C C 107 176.690 177.191 -0.501 1 1 1301 . 15 1 1 A 107 107 HIS CA C 107 60.300 59.030 1.270 1 1 1302 . 15 1 1 A 107 107 HIS CB C 107 31.100 29.681 1.419 1 1 1304 . 15 1 1 A 107 107 HIS N N 107 120.000 119.684 0.316 1 1 1306 . 15 1 1 A 108 108 VAL H H 108 8.190 8.882 -0.692 1 1 1307 . 15 1 1 A 108 108 VAL HA H 108 3.400 3.460 -0.060 1 1 1315 . 15 1 1 A 108 108 VAL C C 108 178.430 177.857 0.573 1 1 1316 . 15 1 1 A 108 108 VAL CA C 108 66.500 66.475 0.025 1 1 1317 . 15 1 1 A 108 108 VAL CB C 108 31.800 31.116 0.684 1 1 1320 . 15 1 1 A 108 108 VAL N N 108 118.980 119.568 -0.588 1 1 1321 . 15 1 1 A 109 109 MET H H 109 8.180 7.794 0.386 1 1 1322 . 15 1 1 A 109 109 MET HA H 109 4.220 4.058 0.162 1 1 1330 . 15 1 1 A 109 109 MET C C 109 179.690 178.215 1.475 1 1 1331 . 15 1 1 A 109 109 MET CA C 109 57.300 58.830 -1.530 1 1 1332 . 15 1 1 A 109 109 MET CB C 109 29.700 32.510 -2.810 1 1 1335 . 15 1 1 A 109 109 MET N N 109 114.980 117.539 -2.559 1 1 1336 . 15 1 1 A 110 110 THR H H 110 8.220 8.168 0.052 1 1 1337 . 15 1 1 A 110 110 THR HA H 110 4.000 3.931 0.069 1 1 1342 . 15 1 1 A 110 110 THR C C 110 176.410 176.325 0.085 1 1 1343 . 15 1 1 A 110 110 THR CA C 110 67.100 65.842 1.258 1 1 1344 . 15 1 1 A 110 110 THR CB C 110 68.500 68.023 0.477 1 1 1346 . 15 1 1 A 110 110 THR N N 110 116.970 112.574 4.396 1 1 1347 . 15 1 1 A 111 111 ASN H H 111 7.780 7.802 -0.022 1 1 1348 . 15 1 1 A 111 111 ASN HA H 111 4.320 4.475 -0.155 1 1 1353 . 15 1 1 A 111 111 ASN CA C 111 55.800 56.510 -0.710 1 1 1354 . 15 1 1 A 111 111 ASN CB C 111 38.200 38.120 0.080 1 1 1355 . 15 1 1 A 111 111 ASN N N 111 122.350 119.817 2.533 1 1 1357 . 15 1 1 A 112 112 LEU H H 112 7.480 7.482 -0.002 1 1 1358 . 15 1 1 A 112 112 LEU HA H 112 4.210 4.273 -0.063 1 1 1368 . 15 1 1 A 112 112 LEU C C 112 178.710 177.009 1.701 1 1 1369 . 15 1 1 A 112 112 LEU CA C 112 55.100 55.236 -0.136 1 1 1370 . 15 1 1 A 112 112 LEU CB C 112 42.500 42.506 -0.006 1 1 1374 . 15 1 1 A 112 112 LEU N N 112 118.300 117.736 0.564 1 1 1375 . 15 1 1 A 113 113 GLY H H 113 7.740 7.800 -0.060 1 1 1376 . 15 1 1 A 113 113 GLY HA2 H 113 3.580 3.935 -0.355 1 1 1377 . 15 1 1 A 113 113 GLY HA3 H 113 4.140 3.946 0.194 1 1 1378 . 15 1 1 A 113 113 GLY C C 113 176.830 174.751 2.079 1 1 1379 . 15 1 1 A 113 113 GLY CA C 113 45.370 46.379 -1.009 1 1 1380 . 15 1 1 A 113 113 GLY N N 113 106.500 108.220 -1.720 1 1 1381 . 15 1 1 A 114 114 GLU H H 114 7.780 8.243 -0.463 1 1 1382 . 15 1 1 A 114 114 GLU HA H 114 4.240 4.359 -0.119 1 1 1387 . 15 1 1 A 114 114 GLU C C 114 176.790 175.911 0.879 1 1 1388 . 15 1 1 A 114 114 GLU CA C 114 54.800 56.347 -1.547 1 1 1389 . 15 1 1 A 114 114 GLU CB C 114 29.900 30.385 -0.485 1 1 1391 . 15 1 1 A 114 114 GLU N N 114 119.300 118.825 0.475 1 1 1392 . 15 1 1 A 115 115 LYS H H 115 8.540 7.837 0.703 1 1 1393 . 15 1 1 A 115 115 LYS HA H 115 4.270 3.770 0.500 1 1 1402 . 15 1 1 A 115 115 LYS C C 115 174.300 175.670 -1.370 1 1 1403 . 15 1 1 A 115 115 LYS CA C 115 55.500 57.079 -1.579 1 1 1404 . 15 1 1 A 115 115 LYS CB C 115 31.900 30.323 1.577 1 1 1408 . 15 1 1 A 115 115 LYS N N 115 125.000 116.611 8.389 1 1 1409 . 15 1 1 A 116 116 LEU H H 116 8.000 7.943 0.057 1 1 1410 . 15 1 1 A 116 116 LEU HA H 116 4.630 4.337 0.293 1 1 1420 . 15 1 1 A 116 116 LEU C C 116 175.060 177.871 -2.811 1 1 1421 . 15 1 1 A 116 116 LEU CA C 116 54.100 54.785 -0.685 1 1 1422 . 15 1 1 A 116 116 LEU CB C 116 44.100 42.636 1.464 1 1 1426 . 15 1 1 A 116 116 LEU N N 116 123.620 120.273 3.347 1 1 1427 . 15 1 1 A 117 117 THR H H 117 9.140 8.720 0.420 1 1 1428 . 15 1 1 A 117 117 THR HA H 117 4.340 4.619 -0.279 1 1 1433 . 15 1 1 A 117 117 THR C C 117 175.610 175.255 0.355 1 1 1434 . 15 1 1 A 117 117 THR CA C 117 60.500 60.599 -0.099 1 1 1435 . 15 1 1 A 117 117 THR CB C 117 71.100 71.384 -0.284 1 1 1437 . 15 1 1 A 117 117 THR N N 117 114.240 115.059 -0.819 1 1 1438 . 15 1 1 A 118 118 ASP H H 118 8.820 8.912 -0.092 1 1 1439 . 15 1 1 A 118 118 ASP HA H 118 4.100 4.230 -0.130 1 1 1442 . 15 1 1 A 118 118 ASP C C 118 178.610 177.919 0.691 1 1 1443 . 15 1 1 A 118 118 ASP CA C 118 58.000 58.107 -0.107 1 1 1444 . 15 1 1 A 118 118 ASP CB C 118 39.700 41.233 -1.533 1 1 1445 . 15 1 1 A 118 118 ASP N N 118 120.660 121.813 -1.153 1 1 1446 . 15 1 1 A 119 119 GLU H H 119 8.450 8.218 0.232 1 1 1447 . 15 1 1 A 119 119 GLU HA H 119 3.960 4.020 -0.060 1 1 1452 . 15 1 1 A 119 119 GLU C C 119 175.620 179.256 -3.636 1 1 1453 . 15 1 1 A 119 119 GLU CA C 119 59.800 59.696 0.104 1 1 1454 . 15 1 1 A 119 119 GLU CB C 119 29.400 29.256 0.144 1 1 1456 . 15 1 1 A 119 119 GLU N N 119 118.790 118.017 0.773 1 1 1457 . 15 1 1 A 120 120 GLU H H 120 7.570 7.466 0.104 1 1 1458 . 15 1 1 A 120 120 GLU HA H 120 3.950 4.195 -0.245 1 1 1463 . 15 1 1 A 120 120 GLU C C 120 178.630 178.834 -0.204 1 1 1464 . 15 1 1 A 120 120 GLU CA C 120 59.600 58.512 1.088 1 1 1465 . 15 1 1 A 120 120 GLU CB C 120 29.400 28.976 0.424 1 1 1467 . 15 1 1 A 120 120 GLU N N 120 120.120 118.544 1.576 1 1 1468 . 15 1 1 A 121 121 VAL H H 121 7.750 8.172 -0.422 1 1 1469 . 15 1 1 A 121 121 VAL HA H 121 3.240 3.554 -0.314 1 1 1477 . 15 1 1 A 121 121 VAL C C 121 179.110 177.577 1.533 1 1 1478 . 15 1 1 A 121 121 VAL CA C 121 67.300 66.278 1.022 1 1 1479 . 15 1 1 A 121 121 VAL CB C 121 31.550 31.733 -0.183 1 1 1482 . 15 1 1 A 121 121 VAL N N 121 119.400 121.626 -2.226 1 1 1483 . 15 1 1 A 122 122 ASP H H 122 7.840 8.204 -0.364 1 1 1484 . 15 1 1 A 122 122 ASP HA H 122 4.260 4.371 -0.111 1 1 1487 . 15 1 1 A 122 122 ASP C C 122 178.890 178.699 0.191 1 1 1488 . 15 1 1 A 122 122 ASP CA C 122 57.700 57.246 0.454 1 1 1489 . 15 1 1 A 122 122 ASP CB C 122 40.200 40.201 -0.001 1 1 1490 . 15 1 1 A 122 122 ASP N N 122 118.550 119.614 -1.064 1 1 1491 . 15 1 1 A 123 123 GLU H H 123 8.110 8.218 -0.108 1 1 1492 . 15 1 1 A 123 123 GLU HA H 123 3.880 4.028 -0.148 1 1 1497 . 15 1 1 A 123 123 GLU C C 123 177.710 178.885 -1.175 1 1 1498 . 15 1 1 A 123 123 GLU CA C 123 59.600 59.393 0.207 1 1 1499 . 15 1 1 A 123 123 GLU CB C 123 29.400 29.262 0.138 1 1 1501 . 15 1 1 A 123 123 GLU N N 123 119.670 119.625 0.045 1 1 1502 . 15 1 1 A 124 124 MET H H 124 8.000 7.949 0.051 1 1 1503 . 15 1 1 A 124 124 MET HA H 124 3.700 4.165 -0.465 1 1 1511 . 15 1 1 A 124 124 MET C C 124 179.020 178.755 0.265 1 1 1512 . 15 1 1 A 124 124 MET CA C 124 60.700 58.748 1.952 1 1 1513 . 15 1 1 A 124 124 MET CB C 124 33.200 32.994 0.206 1 1 1516 . 15 1 1 A 124 124 MET N N 124 118.100 118.986 -0.886 1 1 1517 . 15 1 1 A 125 125 ILE H H 125 8.220 7.730 0.490 1 1 1518 . 15 1 1 A 125 125 ILE HA H 125 3.610 3.613 -0.003 1 1 1528 . 15 1 1 A 125 125 ILE C C 125 179.410 177.943 1.467 1 1 1529 . 15 1 1 A 125 125 ILE CA C 125 64.200 65.079 -0.879 1 1 1530 . 15 1 1 A 125 125 ILE CB C 125 36.000 37.818 -1.818 1 1 1534 . 15 1 1 A 125 125 ILE N N 125 121.400 119.484 1.916 1 1 1535 . 15 1 1 A 126 126 ARG H H 126 8.510 7.830 0.680 1 1 1536 . 15 1 1 A 126 126 ARG HA H 126 3.930 3.894 0.036 1 1 1543 . 15 1 1 A 126 126 ARG C C 126 178.070 178.717 -0.647 1 1 1544 . 15 1 1 A 126 126 ARG CA C 126 59.500 59.757 -0.257 1 1 1545 . 15 1 1 A 126 126 ARG CB C 126 30.300 29.666 0.634 1 1 1548 . 15 1 1 A 126 126 ARG N N 126 117.650 120.208 -2.558 1 1 1549 . 15 1 1 A 127 127 GLU H H 127 7.820 8.248 -0.428 1 1 1550 . 15 1 1 A 127 127 GLU HA H 127 3.880 4.036 -0.156 1 1 1555 . 15 1 1 A 127 127 GLU C C 127 180.080 178.306 1.774 1 1 1556 . 15 1 1 A 127 127 GLU CA C 127 58.300 59.327 -1.027 1 1 1557 . 15 1 1 A 127 127 GLU CB C 127 29.800 29.322 0.478 1 1 1559 . 15 1 1 A 127 127 GLU N N 127 115.300 118.664 -3.364 1 1 1560 . 15 1 1 A 128 128 ALA H H 128 6.960 7.250 -0.290 1 1 1561 . 15 1 1 A 128 128 ALA HA H 128 4.340 4.349 -0.009 1 1 1565 . 15 1 1 A 128 128 ALA C C 128 181.640 177.189 4.451 1 1 1566 . 15 1 1 A 128 128 ALA CA C 128 51.700 52.330 -0.630 1 1 1567 . 15 1 1 A 128 128 ALA CB C 128 22.400 20.147 2.253 1 1 1568 . 15 1 1 A 128 128 ALA N N 128 115.890 121.118 -5.228 1 1 1569 . 15 1 1 A 129 129 ASP H H 129 8.210 7.886 0.324 1 1 1570 . 15 1 1 A 129 129 ASP HA H 129 4.360 4.597 -0.237 1 1 1573 . 15 1 1 A 129 129 ASP C C 129 176.420 176.576 -0.156 1 1 1574 . 15 1 1 A 129 129 ASP CA C 129 54.300 53.980 0.320 1 1 1575 . 15 1 1 A 129 129 ASP CB C 129 40.400 40.620 -0.220 1 1 1576 . 15 1 1 A 129 129 ASP N N 129 117.100 118.205 -1.105 1 1 1577 . 15 1 1 A 130 130 ILE H H 130 8.250 9.070 -0.820 1 1 1578 . 15 1 1 A 130 130 ILE HA H 130 3.800 4.142 -0.342 1 1 1588 . 15 1 1 A 130 130 ILE C C 130 177.960 175.253 2.707 1 1 1589 . 15 1 1 A 130 130 ILE CA C 130 63.500 62.908 0.592 1 1 1590 . 15 1 1 A 130 130 ILE CB C 130 38.500 38.455 0.045 1 1 1594 . 15 1 1 A 130 130 ILE N N 130 127.900 126.909 0.991 1 1 1595 . 15 1 1 A 131 131 ASP H H 131 8.220 7.636 0.584 1 1 1596 . 15 1 1 A 131 131 ASP HA H 131 4.400 4.946 -0.546 1 1 1599 . 15 1 1 A 131 131 ASP C C 131 175.850 175.920 -0.070 1 1 1600 . 15 1 1 A 131 131 ASP CA C 131 53.800 52.416 1.384 1 1 1601 . 15 1 1 A 131 131 ASP CB C 131 39.900 44.049 -4.149 1 1 1602 . 15 1 1 A 131 131 ASP N N 131 116.250 117.755 -1.505 1 1 1603 . 15 1 1 A 132 132 GLY H H 132 7.520 9.070 -1.550 1 1 1604 . 15 1 1 A 132 132 GLY HA2 H 132 3.700 3.902 -0.202 1 1 1605 . 15 1 1 A 132 132 GLY HA3 H 132 3.900 3.907 -0.007 1 1 1606 . 15 1 1 A 132 132 GLY C C 132 177.820 175.066 2.754 1 1 1607 . 15 1 1 A 132 132 GLY CA C 132 47.400 47.235 0.165 1 1 1608 . 15 1 1 A 132 132 GLY N N 132 108.170 107.749 0.421 1 1 1609 . 15 1 1 A 133 133 ASP H H 133 8.240 8.282 -0.042 1 1 1610 . 15 1 1 A 133 133 ASP HA H 133 4.360 4.563 -0.203 1 1 1613 . 15 1 1 A 133 133 ASP C C 133 178.290 177.575 0.715 1 1 1614 . 15 1 1 A 133 133 ASP CA C 133 53.800 53.501 0.299 1 1 1615 . 15 1 1 A 133 133 ASP CB C 133 40.300 40.339 -0.039 1 1 1616 . 15 1 1 A 133 133 ASP N N 133 120.370 120.270 0.100 1 1 1617 . 15 1 1 A 134 134 GLY H H 134 10.140 9.560 0.580 1 1 1618 . 15 1 1 A 134 134 GLY HA2 H 134 3.300 3.844 -0.544 1 1 1619 . 15 1 1 A 134 134 GLY HA3 H 134 3.930 3.854 0.076 1 1 1620 . 15 1 1 A 134 134 GLY C C 134 175.350 173.253 2.097 1 1 1621 . 15 1 1 A 134 134 GLY CA C 134 45.900 45.643 0.257 1 1 1622 . 15 1 1 A 134 134 GLY N N 134 112.150 111.349 0.801 1 1 1623 . 15 1 1 A 135 135 GLN H H 135 7.910 7.927 -0.017 1 1 1624 . 15 1 1 A 135 135 GLN HA H 135 4.870 5.012 -0.142 1 1 1631 . 15 1 1 A 135 135 GLN C C 135 177.620 174.545 3.075 1 1 1632 . 15 1 1 A 135 135 GLN CA C 135 53.300 53.671 -0.371 1 1 1633 . 15 1 1 A 135 135 GLN CB C 135 33.000 32.670 0.330 1 1 1635 . 15 1 1 A 135 135 GLN N N 135 114.700 118.560 -3.860 1 1 1637 . 15 1 1 A 136 136 VAL H H 136 9.070 8.967 0.103 1 1 1638 . 15 1 1 A 136 136 VAL HA H 136 5.110 5.202 -0.092 1 1 1646 . 15 1 1 A 136 136 VAL C C 136 172.750 175.343 -2.593 1 1 1647 . 15 1 1 A 136 136 VAL CA C 136 61.800 61.721 0.079 1 1 1648 . 15 1 1 A 136 136 VAL CB C 136 34.100 33.058 1.042 1 1 1651 . 15 1 1 A 136 136 VAL N N 136 124.900 122.443 2.457 1 1 1652 . 15 1 1 A 137 137 ASN H H 137 9.450 8.815 0.635 1 1 1653 . 15 1 1 A 137 137 ASN HA H 137 5.240 4.928 0.312 1 1 1658 . 15 1 1 A 137 137 ASN CA C 137 51.400 52.252 -0.852 1 1 1659 . 15 1 1 A 137 137 ASN CB C 137 40.000 40.180 -0.180 1 1 1660 . 15 1 1 A 137 137 ASN N N 137 128.840 126.423 2.417 1 1 1662 . 15 1 1 A 138 138 TYR H H 138 8.330 8.846 -0.516 1 1 1663 . 15 1 1 A 138 138 TYR HA H 138 3.240 4.260 -1.020 1 1 1670 . 15 1 1 A 138 138 TYR C C 138 180.030 177.459 2.571 1 1 1671 . 15 1 1 A 138 138 TYR CA C 138 62.400 62.332 0.068 1 1 1672 . 15 1 1 A 138 138 TYR CB C 138 38.000 38.464 -0.464 1 1 1677 . 15 1 1 A 138 138 TYR N N 138 118.150 126.322 -8.172 1 1 1678 . 15 1 1 A 139 139 GLU H H 139 7.990 8.485 -0.495 1 1 1679 . 15 1 1 A 139 139 GLU HA H 139 3.520 3.945 -0.425 1 1 1684 . 15 1 1 A 139 139 GLU C C 139 179.170 178.952 0.218 1 1 1685 . 15 1 1 A 139 139 GLU CA C 139 60.550 60.116 0.434 1 1 1686 . 15 1 1 A 139 139 GLU CB C 139 29.100 29.736 -0.636 1 1 1688 . 15 1 1 A 139 139 GLU N N 139 118.100 119.277 -1.177 1 1 1689 . 15 1 1 A 140 140 GLU H H 140 8.640 8.103 0.537 1 1 1690 . 15 1 1 A 140 140 GLU HA H 140 3.780 4.078 -0.298 1 1 1695 . 15 1 1 A 140 140 GLU C C 140 181.440 179.027 2.413 1 1 1696 . 15 1 1 A 140 140 GLU CA C 140 58.800 59.060 -0.260 1 1 1697 . 15 1 1 A 140 140 GLU CB C 140 29.200 29.707 -0.507 1 1 1699 . 15 1 1 A 140 140 GLU N N 140 119.300 119.390 -0.090 1 1 1700 . 15 1 1 A 141 141 PHE H H 141 8.470 7.995 0.475 1 1 1701 . 15 1 1 A 141 141 PHE HA H 141 3.380 3.895 -0.515 1 1 1709 . 15 1 1 A 141 141 PHE C C 141 178.980 176.717 2.263 1 1 1710 . 15 1 1 A 141 141 PHE CA C 141 61.900 61.339 0.561 1 1 1711 . 15 1 1 A 141 141 PHE CB C 141 40.200 39.258 0.942 1 1 1717 . 15 1 1 A 141 141 PHE N N 141 123.640 121.689 1.951 1 1 1718 . 15 1 1 A 142 142 VAL H H 142 8.510 8.090 0.420 1 1 1719 . 15 1 1 A 142 142 VAL HA H 142 3.000 3.339 -0.339 1 1 1727 . 15 1 1 A 142 142 VAL C C 142 176.540 177.635 -1.095 1 1 1728 . 15 1 1 A 142 142 VAL CA C 142 66.900 66.379 0.521 1 1 1729 . 15 1 1 A 142 142 VAL CB C 142 31.450 31.316 0.134 1 1 1732 . 15 1 1 A 142 142 VAL N N 142 118.330 118.937 -0.607 1 1 1733 . 15 1 1 A 143 143 GLN H H 143 7.520 8.110 -0.590 1 1 1734 . 15 1 1 A 143 143 GLN HA H 143 3.750 3.908 -0.158 1 1 1741 . 15 1 1 A 143 143 GLN C C 143 176.630 178.177 -1.547 1 1 1742 . 15 1 1 A 143 143 GLN CA C 143 58.900 59.248 -0.348 1 1 1743 . 15 1 1 A 143 143 GLN CB C 143 28.200 28.126 0.074 1 1 1745 . 15 1 1 A 143 143 GLN N N 143 118.100 119.350 -1.250 1 1 1747 . 15 1 1 A 144 144 MET H H 144 7.250 7.834 -0.584 1 1 1748 . 15 1 1 A 144 144 MET HA H 144 4.090 4.213 -0.123 1 1 1756 . 15 1 1 A 144 144 MET C C 144 179.340 178.702 0.638 1 1 1757 . 15 1 1 A 144 144 MET CA C 144 56.750 57.534 -0.784 1 1 1758 . 15 1 1 A 144 144 MET CB C 144 30.800 32.480 -1.680 1 1 1761 . 15 1 1 A 144 144 MET N N 144 117.300 117.878 -0.578 1 1 1762 . 15 1 1 A 145 145 MET H H 145 7.460 7.792 -0.332 1 1 1763 . 15 1 1 A 145 145 MET HA H 145 3.900 4.013 -0.113 1 1 1771 . 15 1 1 A 145 145 MET C C 145 178.110 177.493 0.617 1 1 1772 . 15 1 1 A 145 145 MET CA C 145 56.800 57.918 -1.118 1 1 1773 . 15 1 1 A 145 145 MET CB C 145 31.800 33.704 -1.904 1 1 1776 . 15 1 1 A 145 145 MET N N 145 114.350 118.436 -4.086 1 1 1777 . 15 1 1 A 146 146 THR H H 146 7.560 7.913 -0.353 1 1 1778 . 15 1 1 A 146 146 THR HA H 146 4.220 4.394 -0.174 1 1 1783 . 15 1 1 A 146 146 THR C C 146 177.440 173.990 3.450 1 1 1784 . 15 1 1 A 146 146 THR CA C 146 62.650 61.240 1.410 1 1 1785 . 15 1 1 A 146 146 THR CB C 146 69.700 69.181 0.519 1 1 1787 . 15 1 1 A 146 146 THR N N 146 109.350 107.685 1.665 1 1 1788 . 15 1 1 A 147 147 ALA H H 147 7.420 7.260 0.160 1 1 1789 . 15 1 1 A 147 147 ALA HA H 147 4.170 4.319 -0.149 1 1 1793 . 15 1 1 A 147 147 ALA C C 147 177.480 176.319 1.161 1 1 1794 . 15 1 1 A 147 147 ALA CA C 147 52.900 51.749 1.151 1 1 1795 . 15 1 1 A 147 147 ALA CB C 147 19.200 17.732 1.468 1 1 1796 . 15 1 1 A 147 147 ALA N N 147 125.650 125.403 0.247 1 1 1814 . 15 2 2 B 1 1 ARG H H 1088 8.270 8.583 -0.313 1 1 1815 . 15 2 2 B 1 1 ARG HA H 1088 3.860 4.817 -0.957 1 1 1822 . 15 2 2 B 1 1 ARG CA C 1088 59.900 55.295 4.605 1 1 1823 . 15 2 2 B 1 1 ARG CB C 1088 29.900 31.091 -1.191 1 1 1826 . 15 2 2 B 1 1 ARG N N 1088 117.300 120.263 -2.963 1 1 1827 . 15 2 2 B 2 2 GLY H H 1089 9.370 8.834 0.536 1 1 1828 . 15 2 2 B 2 2 GLY HA2 H 1089 3.520 3.958 -0.438 1 1 1829 . 15 2 2 B 2 2 GLY HA3 H 1089 3.730 3.998 -0.268 1 1 1830 . 15 2 2 B 2 2 GLY C C 1089 176.650 175.688 0.962 1 1 1831 . 15 2 2 B 2 2 GLY CA C 1089 47.200 46.645 0.555 1 1 1832 . 15 2 2 B 2 2 GLY N N 1089 105.000 111.090 -6.090 1 1 1833 . 15 2 2 B 3 3 GLN H H 1090 6.980 7.892 -0.912 1 1 1834 . 15 2 2 B 3 3 GLN HA H 1090 3.830 4.135 -0.305 1 1 1841 . 15 2 2 B 3 3 GLN C C 1090 177.680 178.597 -0.917 1 1 1842 . 15 2 2 B 3 3 GLN CA C 1090 59.100 58.707 0.393 1 1 1843 . 15 2 2 B 3 3 GLN CB C 1090 29.800 28.506 1.294 1 1 1845 . 15 2 2 B 3 3 GLN N N 1090 117.350 120.056 -2.706 1 1 1847 . 15 2 2 B 4 4 ILE H H 1091 7.760 7.861 -0.101 1 1 1848 . 15 2 2 B 4 4 ILE HA H 1091 3.480 3.703 -0.223 1 1 1858 . 15 2 2 B 4 4 ILE C C 1091 175.070 178.343 -3.273 1 1 1859 . 15 2 2 B 4 4 ILE CA C 1091 65.600 65.956 -0.356 1 1 1860 . 15 2 2 B 4 4 ILE CB C 1091 38.000 38.173 -0.173 1 1 1864 . 15 2 2 B 4 4 ILE N N 1091 119.650 121.323 -1.673 1 1 1865 . 15 2 2 B 5 5 LEU H H 1092 7.830 8.350 -0.520 1 1 1866 . 15 2 2 B 5 5 LEU HA H 1092 3.820 3.898 -0.078 1 1 1876 . 15 2 2 B 5 5 LEU C C 1092 176.220 179.019 -2.799 1 1 1877 . 15 2 2 B 5 5 LEU CA C 1092 58.250 58.368 -0.118 1 1 1878 . 15 2 2 B 5 5 LEU CB C 1092 41.700 42.174 -0.474 1 1 1882 . 15 2 2 B 5 5 LEU N N 1092 119.200 118.740 0.460 1 1 1883 . 15 2 2 B 6 6 TRP H H 1093 7.650 8.276 -0.626 1 1 1884 . 15 2 2 B 6 6 TRP HA H 1093 4.120 4.331 -0.211 1 1 1893 . 15 2 2 B 6 6 TRP C C 1093 178.490 179.234 -0.744 1 1 1894 . 15 2 2 B 6 6 TRP CA C 1093 61.100 60.541 0.559 1 1 1895 . 15 2 2 B 6 6 TRP CB C 1093 30.000 29.467 0.533 1 1 1901 . 15 2 2 B 6 6 TRP N N 1093 119.200 118.603 0.597 1 1 1903 . 15 2 2 B 7 7 PHE H H 1094 8.400 8.440 -0.040 1 1 1904 . 15 2 2 B 7 7 PHE HA H 1094 4.390 4.223 0.167 1 1 1912 . 15 2 2 B 7 7 PHE C C 1094 178.840 177.390 1.450 1 1 1913 . 15 2 2 B 7 7 PHE CA C 1094 59.700 61.532 -1.832 1 1 1914 . 15 2 2 B 7 7 PHE CB C 1094 37.000 39.249 -2.249 1 1 1919 . 15 2 2 B 7 7 PHE N N 1094 117.800 119.901 -2.101 1 1 1920 . 15 2 2 B 8 8 ARG H H 1095 8.360 8.323 0.037 1 1 1921 . 15 2 2 B 8 8 ARG HA H 1095 4.140 4.083 0.057 1 1 1928 . 15 2 2 B 8 8 ARG C C 1095 178.290 179.006 -0.716 1 1 1929 . 15 2 2 B 8 8 ARG CA C 1095 59.600 59.737 -0.137 1 1 1930 . 15 2 2 B 8 8 ARG CB C 1095 30.500 30.225 0.275 1 1 1933 . 15 2 2 B 8 8 ARG N N 1095 120.800 117.910 2.890 1 1 1934 . 15 2 2 B 9 9 GLY H H 1096 8.330 8.230 0.100 1 1 1935 . 15 2 2 B 9 9 GLY HA2 H 1096 3.560 3.596 -0.036 1 1 1936 . 15 2 2 B 9 9 GLY HA3 H 1096 3.720 3.619 0.101 1 1 1937 . 15 2 2 B 9 9 GLY C C 1096 178.010 175.481 2.529 1 1 1938 . 15 2 2 B 9 9 GLY CA C 1096 47.200 47.262 -0.062 1 1 1939 . 15 2 2 B 9 9 GLY N N 1096 106.400 107.143 -0.743 1 1 1940 . 15 2 2 B 10 10 LEU H H 1097 9.090 7.617 1.473 1 1 1941 . 15 2 2 B 10 10 LEU HA H 1097 4.150 3.894 0.256 1 1 1951 . 15 2 2 B 10 10 LEU C C 1097 178.820 178.323 0.497 1 1 1952 . 15 2 2 B 10 10 LEU CA C 1097 58.500 57.188 1.312 1 1 1953 . 15 2 2 B 10 10 LEU CB C 1097 41.600 41.030 0.570 1 1 1957 . 15 2 2 B 10 10 LEU N N 1097 120.900 122.565 -1.665 1 1 1958 . 15 2 2 B 11 11 ASN H H 1098 8.380 7.766 0.614 1 1 1959 . 15 2 2 B 11 11 ASN HA H 1098 4.440 4.129 0.311 1 1 1964 . 15 2 2 B 11 11 ASN CA C 1098 56.700 56.743 -0.043 1 1 1965 . 15 2 2 B 11 11 ASN CB C 1098 38.700 39.602 -0.902 1 1 1966 . 15 2 2 B 11 11 ASN N N 1098 116.900 116.728 0.172 1 1 1968 . 15 2 2 B 12 12 ARG H H 1099 7.900 7.491 0.409 1 1 1969 . 15 2 2 B 12 12 ARG HA H 1099 3.980 4.062 -0.082 1 1 1976 . 15 2 2 B 12 12 ARG C C 1099 178.360 178.273 0.087 1 1 1977 . 15 2 2 B 12 12 ARG CA C 1099 60.200 59.118 1.082 1 1 1978 . 15 2 2 B 12 12 ARG CB C 1099 32.600 29.966 2.634 1 1 1981 . 15 2 2 B 12 12 ARG N N 1099 120.100 118.483 1.617 1 1 1982 . 15 2 2 B 13 13 ILE H H 1100 8.230 7.988 0.242 1 1 1983 . 15 2 2 B 13 13 ILE HA H 1100 3.840 3.626 0.214 1 1 1993 . 15 2 2 B 13 13 ILE C C 1100 178.110 177.899 0.211 1 1 1994 . 15 2 2 B 13 13 ILE CA C 1100 63.800 65.379 -1.579 1 1 1995 . 15 2 2 B 13 13 ILE CB C 1100 37.300 37.528 -0.228 1 1 1999 . 15 2 2 B 13 13 ILE N N 1100 120.350 120.910 -0.560 1 1 2000 . 15 2 2 B 14 14 GLN H H 1101 8.830 7.727 1.103 1 1 2001 . 15 2 2 B 14 14 GLN HA H 1101 3.990 3.952 0.038 1 1 2008 . 15 2 2 B 14 14 GLN C C 1101 177.860 178.735 -0.875 1 1 2009 . 15 2 2 B 14 14 GLN CA C 1101 60.000 59.069 0.931 1 1 2010 . 15 2 2 B 14 14 GLN CB C 1101 28.800 28.265 0.535 1 1 2012 . 15 2 2 B 14 14 GLN N N 1101 118.700 117.891 0.809 1 1 2014 . 15 2 2 B 15 15 THR H H 1102 8.140 7.626 0.514 1 1 2015 . 15 2 2 B 15 15 THR HA H 1102 3.890 3.768 0.122 1 1 2020 . 15 2 2 B 15 15 THR C C 1102 177.470 176.555 0.915 1 1 2021 . 15 2 2 B 15 15 THR CA C 1102 67.400 67.561 -0.161 1 1 2022 . 15 2 2 B 15 15 THR CB C 1102 70.300 68.503 1.797 1 1 2024 . 15 2 2 B 15 15 THR N N 1102 117.500 117.391 0.109 1 1 2025 . 15 2 2 B 16 16 GLN H H 1103 8.320 8.313 0.007 1 1 2026 . 15 2 2 B 16 16 GLN HA H 1103 4.100 3.939 0.161 1 1 2033 . 15 2 2 B 16 16 GLN C C 1103 178.890 178.574 0.316 1 1 2034 . 15 2 2 B 16 16 GLN CA C 1103 60.600 59.254 1.346 1 1 2035 . 15 2 2 B 16 16 GLN CB C 1103 30.500 28.451 2.049 1 1 2037 . 15 2 2 B 16 16 GLN N N 1103 120.650 119.138 1.512 1 1 2039 . 15 2 2 B 17 17 ILE H H 1104 8.690 7.400 1.290 1 1 2040 . 15 2 2 B 17 17 ILE HA H 1104 3.470 3.966 -0.496 1 1 2050 . 15 2 2 B 17 17 ILE C C 1104 175.230 177.847 -2.617 1 1 2051 . 15 2 2 B 17 17 ILE CA C 1104 66.150 62.225 3.925 1 1 2052 . 15 2 2 B 17 17 ILE CB C 1104 38.300 37.964 0.336 1 1 2056 . 15 2 2 B 17 17 ILE N N 1104 119.400 120.120 -0.720 1 1 2057 . 15 2 2 B 18 18 LYS H H 1105 7.950 8.926 -0.976 1 1 2058 . 15 2 2 B 18 18 LYS HA H 1105 3.900 3.988 -0.088 1 1 2067 . 15 2 2 B 18 18 LYS C C 1105 177.660 178.609 -0.949 1 1 2068 . 15 2 2 B 18 18 LYS CA C 1105 60.050 59.809 0.241 1 1 2069 . 15 2 2 B 18 18 LYS CB C 1105 32.700 32.173 0.527 1 1 2073 . 15 2 2 B 18 18 LYS N N 1105 120.280 123.312 -3.032 1 1 2074 . 15 2 2 B 19 19 VAL H H 1106 8.280 7.642 0.638 1 1 2075 . 15 2 2 B 19 19 VAL HA H 1106 3.430 3.792 -0.362 1 1 2083 . 15 2 2 B 19 19 VAL C C 1106 177.660 178.362 -0.702 1 1 2084 . 15 2 2 B 19 19 VAL CA C 1106 65.900 66.618 -0.718 1 1 2085 . 15 2 2 B 19 19 VAL CB C 1106 31.400 31.742 -0.342 1 1 2088 . 15 2 2 B 19 19 VAL N N 1106 120.660 119.360 1.300 1 1 2089 . 15 2 2 B 20 20 VAL H H 1107 8.420 8.043 0.377 1 1 2090 . 15 2 2 B 20 20 VAL HA H 1107 3.580 3.967 -0.387 1 1 2098 . 15 2 2 B 20 20 VAL C C 1107 178.930 178.374 0.556 1 1 2099 . 15 2 2 B 20 20 VAL CA C 1107 68.390 66.050 2.340 1 1 2100 . 15 2 2 B 20 20 VAL CB C 1107 31.200 31.506 -0.306 1 1 2103 . 15 2 2 B 20 20 VAL N N 1107 119.990 116.537 3.453 1 1 2104 . 15 2 2 B 21 21 LYS H H 1108 8.300 8.181 0.119 1 1 2105 . 15 2 2 B 21 21 LYS HA H 1108 4.050 4.105 -0.055 1 1 2114 . 15 2 2 B 21 21 LYS C C 1108 177.230 178.963 -1.733 1 1 2115 . 15 2 2 B 21 21 LYS CA C 1108 59.980 59.750 0.230 1 1 2116 . 15 2 2 B 21 21 LYS CB C 1108 32.400 32.144 0.256 1 1 2120 . 15 2 2 B 21 21 LYS N N 1108 119.290 122.150 -2.860 1 1 2121 . 15 2 2 B 22 22 ALA H H 1109 7.690 8.091 -0.401 1 1 2122 . 15 2 2 B 22 22 ALA HA H 1109 3.900 4.189 -0.289 1 1 2126 . 15 2 2 B 22 22 ALA C C 1109 178.200 179.729 -1.529 1 1 2127 . 15 2 2 B 22 22 ALA CA C 1109 54.950 55.206 -0.256 1 1 2128 . 15 2 2 B 22 22 ALA CB C 1109 22.000 18.755 3.245 1 1 2129 . 15 2 2 B 22 22 ALA N N 1109 123.910 122.098 1.812 1 1 2130 . 15 2 2 B 23 23 PHE H H 1110 7.920 8.331 -0.411 1 1 2131 . 15 2 2 B 23 23 PHE HA H 1110 4.120 4.255 -0.135 1 1 2139 . 15 2 2 B 23 23 PHE C C 1110 178.840 178.304 0.536 1 1 2140 . 15 2 2 B 23 23 PHE CA C 1110 61.260 60.538 0.722 1 1 2141 . 15 2 2 B 23 23 PHE CB C 1110 40.200 38.934 1.266 1 1 2147 . 15 2 2 B 23 23 PHE N N 1110 118.200 115.654 2.546 1 1 2148 . 15 2 2 B 24 24 HIS H H 1111 7.960 7.574 0.386 1 1 2149 . 15 2 2 B 24 24 HIS HA H 1111 4.530 4.391 0.139 1 1 2155 . 15 2 2 B 24 24 HIS C C 1111 178.710 175.176 3.534 1 1 2156 . 15 2 2 B 24 24 HIS CA C 1111 57.200 59.873 -2.673 1 1 2157 . 15 2 2 B 24 24 HIS CB C 1111 30.200 29.768 0.432 1 1 2160 . 15 2 2 B 24 24 HIS N N 1111 117.760 117.561 0.199 1 1 2162 . 15 2 2 B 25 25 SER H H 1112 7.980 8.644 -0.664 1 1 2163 . 15 2 2 B 25 25 SER HA H 1112 4.340 4.028 0.312 1 1 2166 . 15 2 2 B 25 25 SER C C 1112 177.230 173.536 3.694 1 1 2167 . 15 2 2 B 25 25 SER CA C 1112 58.570 59.242 -0.672 1 1 2168 . 15 2 2 B 25 25 SER CB C 1112 63.800 61.874 1.926 1 1 2169 . 15 2 2 B 25 25 SER N N 1112 116.970 114.524 2.446 1 1 9 . 16 1 1 A 2 2 ASP H H 2 8.220 8.319 -0.099 1 1 10 . 16 1 1 A 2 2 ASP HA H 2 4.500 4.391 0.109 1 1 13 . 16 1 1 A 2 2 ASP CA C 2 54.750 57.139 -2.389 1 1 14 . 16 1 1 A 2 2 ASP CB C 2 41.350 40.804 0.546 1 1 15 . 16 1 1 A 2 2 ASP N N 2 121.760 118.465 3.295 1 1 16 . 16 1 1 A 3 3 GLN H H 3 8.320 7.640 0.680 1 1 17 . 16 1 1 A 3 3 GLN HA H 3 4.240 4.750 -0.510 1 1 24 . 16 1 1 A 3 3 GLN CA C 3 55.750 54.669 1.081 1 1 25 . 16 1 1 A 3 3 GLN CB C 3 29.700 28.435 1.265 1 1 27 . 16 1 1 A 3 3 GLN N N 3 119.800 117.487 2.313 1 1 29 . 16 1 1 A 4 4 LEU H H 4 8.250 8.564 -0.314 1 1 30 . 16 1 1 A 4 4 LEU HA H 4 4.540 4.488 0.052 1 1 40 . 16 1 1 A 4 4 LEU C C 4 175.740 176.643 -0.903 1 1 41 . 16 1 1 A 4 4 LEU CA C 4 54.600 54.546 0.054 1 1 42 . 16 1 1 A 4 4 LEU CB C 4 43.600 43.011 0.589 1 1 46 . 16 1 1 A 4 4 LEU N N 4 123.100 126.167 -3.067 1 1 47 . 16 1 1 A 5 5 THR H H 5 8.680 7.541 1.139 1 1 48 . 16 1 1 A 5 5 THR HA H 5 4.350 4.300 0.050 1 1 53 . 16 1 1 A 5 5 THR C C 5 175.750 175.803 -0.053 1 1 54 . 16 1 1 A 5 5 THR CA C 5 60.500 60.989 -0.489 1 1 55 . 16 1 1 A 5 5 THR CB C 5 71.100 70.179 0.921 1 1 57 . 16 1 1 A 5 5 THR N N 5 112.700 111.460 1.240 1 1 58 . 16 1 1 A 6 6 GLU H H 6 8.950 8.866 0.084 1 1 59 . 16 1 1 A 6 6 GLU HA H 6 3.880 3.932 -0.052 1 1 64 . 16 1 1 A 6 6 GLU C C 6 177.790 178.444 -0.654 1 1 65 . 16 1 1 A 6 6 GLU CA C 6 60.200 60.150 0.050 1 1 66 . 16 1 1 A 6 6 GLU CB C 6 29.300 29.391 -0.091 1 1 68 . 16 1 1 A 6 6 GLU N N 6 119.950 123.196 -3.246 1 1 69 . 16 1 1 A 7 7 GLU H H 7 8.660 8.098 0.562 1 1 70 . 16 1 1 A 7 7 GLU HA H 7 3.940 3.994 -0.054 1 1 75 . 16 1 1 A 7 7 GLU C C 7 175.460 179.123 -3.663 1 1 76 . 16 1 1 A 7 7 GLU CA C 7 60.200 59.724 0.476 1 1 77 . 16 1 1 A 7 7 GLU CB C 7 29.100 29.311 -0.211 1 1 79 . 16 1 1 A 7 7 GLU N N 7 119.250 120.183 -0.933 1 1 80 . 16 1 1 A 8 8 GLN H H 8 7.670 7.598 0.072 1 1 81 . 16 1 1 A 8 8 GLN HA H 8 3.760 4.196 -0.436 1 1 88 . 16 1 1 A 8 8 GLN C C 8 179.600 178.640 0.960 1 1 89 . 16 1 1 A 8 8 GLN CA C 8 58.800 58.472 0.328 1 1 90 . 16 1 1 A 8 8 GLN CB C 8 29.300 28.229 1.071 1 1 92 . 16 1 1 A 8 8 GLN N N 8 120.000 119.145 0.855 1 1 94 . 16 1 1 A 9 9 ILE H H 9 8.280 8.604 -0.324 1 1 95 . 16 1 1 A 9 9 ILE HA H 9 3.580 3.713 -0.133 1 1 105 . 16 1 1 A 9 9 ILE C C 9 179.270 177.856 1.414 1 1 106 . 16 1 1 A 9 9 ILE CA C 9 66.400 65.680 0.720 1 1 107 . 16 1 1 A 9 9 ILE CB C 9 38.100 38.059 0.041 1 1 111 . 16 1 1 A 9 9 ILE N N 9 119.400 119.943 -0.543 1 1 112 . 16 1 1 A 10 10 ALA H H 10 7.950 8.292 -0.342 1 1 113 . 16 1 1 A 10 10 ALA HA H 10 4.020 3.998 0.022 1 1 117 . 16 1 1 A 10 10 ALA C C 10 178.490 179.994 -1.504 1 1 118 . 16 1 1 A 10 10 ALA CA C 10 55.400 55.844 -0.444 1 1 119 . 16 1 1 A 10 10 ALA CB C 10 17.950 18.332 -0.382 1 1 120 . 16 1 1 A 10 10 ALA N N 10 121.000 122.098 -1.098 1 1 121 . 16 1 1 A 11 11 GLU H H 11 7.730 8.015 -0.285 1 1 122 . 16 1 1 A 11 11 GLU HA H 11 4.030 4.108 -0.078 1 1 127 . 16 1 1 A 11 11 GLU C C 11 177.860 179.624 -1.764 1 1 128 . 16 1 1 A 11 11 GLU CA C 11 59.500 59.289 0.211 1 1 129 . 16 1 1 A 11 11 GLU CB C 11 29.500 29.672 -0.172 1 1 131 . 16 1 1 A 11 11 GLU N N 11 119.700 118.333 1.367 1 1 132 . 16 1 1 A 12 12 PHE H H 12 8.470 8.491 -0.021 1 1 133 . 16 1 1 A 12 12 PHE HA H 12 4.910 4.318 0.592 1 1 141 . 16 1 1 A 12 12 PHE C C 12 181.140 178.135 3.005 1 1 142 . 16 1 1 A 12 12 PHE CA C 12 59.200 61.434 -2.234 1 1 143 . 16 1 1 A 12 12 PHE CB C 12 37.700 38.704 -1.004 1 1 149 . 16 1 1 A 12 12 PHE N N 12 119.900 119.486 0.414 1 1 150 . 16 1 1 A 13 13 LYS H H 13 9.180 8.630 0.550 1 1 151 . 16 1 1 A 13 13 LYS HA H 13 3.860 3.817 0.043 1 1 160 . 16 1 1 A 13 13 LYS C C 13 180.730 178.576 2.154 1 1 161 . 16 1 1 A 13 13 LYS CA C 13 60.300 60.059 0.241 1 1 162 . 16 1 1 A 13 13 LYS CB C 13 31.900 32.639 -0.739 1 1 166 . 16 1 1 A 13 13 LYS N N 13 124.000 120.454 3.546 1 1 167 . 16 1 1 A 14 14 GLU H H 14 7.770 8.027 -0.257 1 1 168 . 16 1 1 A 14 14 GLU HA H 14 4.050 4.060 -0.010 1 1 173 . 16 1 1 A 14 14 GLU C C 14 178.750 179.263 -0.513 1 1 174 . 16 1 1 A 14 14 GLU CA C 14 59.300 59.556 -0.256 1 1 175 . 16 1 1 A 14 14 GLU CB C 14 29.300 29.304 -0.004 1 1 177 . 16 1 1 A 14 14 GLU N N 14 120.060 118.628 1.432 1 1 178 . 16 1 1 A 15 15 ALA H H 15 8.020 7.483 0.537 1 1 179 . 16 1 1 A 15 15 ALA HA H 15 4.110 4.075 0.035 1 1 183 . 16 1 1 A 15 15 ALA C C 15 179.220 180.136 -0.916 1 1 184 . 16 1 1 A 15 15 ALA CA C 15 55.900 54.900 1.000 1 1 185 . 16 1 1 A 15 15 ALA CB C 15 18.430 17.986 0.444 1 1 186 . 16 1 1 A 15 15 ALA N N 15 121.660 122.626 -0.966 1 1 187 . 16 1 1 A 16 16 PHE H H 16 8.700 8.174 0.526 1 1 188 . 16 1 1 A 16 16 PHE HA H 16 3.190 4.444 -1.254 1 1 196 . 16 1 1 A 16 16 PHE C C 16 176.350 178.530 -2.180 1 1 197 . 16 1 1 A 16 16 PHE CA C 16 62.300 60.361 1.939 1 1 198 . 16 1 1 A 16 16 PHE CB C 16 39.800 38.195 1.605 1 1 204 . 16 1 1 A 16 16 PHE N N 16 118.400 116.628 1.772 1 1 205 . 16 1 1 A 17 17 SER H H 17 8.040 8.085 -0.045 1 1 206 . 16 1 1 A 17 17 SER HA H 17 4.110 4.293 -0.183 1 1 209 . 16 1 1 A 17 17 SER C C 17 178.820 177.002 1.818 1 1 210 . 16 1 1 A 17 17 SER CA C 17 61.600 60.953 0.647 1 1 211 . 16 1 1 A 17 17 SER CB C 17 63.200 63.353 -0.153 1 1 212 . 16 1 1 A 17 17 SER N N 17 114.290 115.070 -0.780 1 1 213 . 16 1 1 A 18 18 LEU H H 18 7.440 7.904 -0.464 1 1 214 . 16 1 1 A 18 18 LEU HA H 18 3.970 3.821 0.149 1 1 224 . 16 1 1 A 18 18 LEU C C 18 178.630 177.928 0.702 1 1 225 . 16 1 1 A 18 18 LEU CA C 18 56.800 57.633 -0.833 1 1 226 . 16 1 1 A 18 18 LEU CB C 18 42.600 41.014 1.586 1 1 230 . 16 1 1 A 18 18 LEU N N 18 118.200 122.944 -4.744 1 1 231 . 16 1 1 A 19 19 PHE H H 19 7.330 7.009 0.321 1 1 232 . 16 1 1 A 19 19 PHE HA H 19 3.950 4.686 -0.736 1 1 240 . 16 1 1 A 19 19 PHE C C 19 174.460 175.683 -1.223 1 1 241 . 16 1 1 A 19 19 PHE CA C 19 59.300 58.228 1.072 1 1 242 . 16 1 1 A 19 19 PHE CB C 19 41.800 40.279 1.521 1 1 248 . 16 1 1 A 19 19 PHE N N 19 114.900 114.515 0.385 1 1 249 . 16 1 1 A 20 20 ASP H H 20 7.780 7.396 0.384 1 1 250 . 16 1 1 A 20 20 ASP HA H 20 4.480 5.196 -0.716 1 1 253 . 16 1 1 A 20 20 ASP C C 20 176.700 175.897 0.803 1 1 254 . 16 1 1 A 20 20 ASP CA C 20 52.400 53.138 -0.738 1 1 255 . 16 1 1 A 20 20 ASP CB C 20 39.400 39.268 0.132 1 1 256 . 16 1 1 A 20 20 ASP N N 20 117.700 120.022 -2.322 1 1 257 . 16 1 1 A 21 21 LYS H H 21 7.480 8.127 -0.647 1 1 258 . 16 1 1 A 21 21 LYS HA H 21 3.840 3.949 -0.109 1 1 267 . 16 1 1 A 21 21 LYS C C 21 175.550 177.294 -1.744 1 1 268 . 16 1 1 A 21 21 LYS CA C 21 58.300 59.334 -1.034 1 1 269 . 16 1 1 A 21 21 LYS CB C 21 32.600 32.461 0.139 1 1 273 . 16 1 1 A 21 21 LYS N N 21 124.200 125.336 -1.136 1 1 274 . 16 1 1 A 22 22 ASP H H 22 7.910 7.991 -0.081 1 1 275 . 16 1 1 A 22 22 ASP HA H 22 4.460 4.646 -0.186 1 1 278 . 16 1 1 A 22 22 ASP C C 22 176.920 177.847 -0.927 1 1 279 . 16 1 1 A 22 22 ASP CA C 22 53.400 53.087 0.313 1 1 280 . 16 1 1 A 22 22 ASP CB C 22 39.800 39.787 0.013 1 1 281 . 16 1 1 A 22 22 ASP N N 22 113.500 115.235 -1.735 1 1 282 . 16 1 1 A 23 23 GLY H H 23 7.540 7.977 -0.437 1 1 283 . 16 1 1 A 23 23 GLY HA2 H 23 3.730 3.893 -0.163 1 1 284 . 16 1 1 A 23 23 GLY HA3 H 23 3.730 3.905 -0.175 1 1 285 . 16 1 1 A 23 23 GLY C C 23 178.030 175.139 2.891 1 1 286 . 16 1 1 A 23 23 GLY CA C 23 47.400 47.299 0.101 1 1 287 . 16 1 1 A 23 23 GLY N N 23 109.200 108.891 0.309 1 1 288 . 16 1 1 A 24 24 ASP H H 24 8.430 8.242 0.188 1 1 289 . 16 1 1 A 24 24 ASP HA H 24 4.410 4.585 -0.175 1 1 292 . 16 1 1 A 24 24 ASP C C 24 177.580 177.545 0.035 1 1 293 . 16 1 1 A 24 24 ASP CA C 24 53.770 53.573 0.197 1 1 294 . 16 1 1 A 24 24 ASP CB C 24 40.200 40.425 -0.225 1 1 295 . 16 1 1 A 24 24 ASP N N 24 120.700 120.704 -0.004 1 1 296 . 16 1 1 A 25 25 GLY H H 25 10.370 9.655 0.715 1 1 297 . 16 1 1 A 25 25 GLY HA2 H 25 4.240 3.999 0.241 1 1 298 . 16 1 1 A 25 25 GLY HA3 H 25 3.610 4.022 -0.412 1 1 299 . 16 1 1 A 25 25 GLY C C 25 175.160 173.605 1.555 1 1 300 . 16 1 1 A 25 25 GLY CA C 25 45.300 45.105 0.195 1 1 301 . 16 1 1 A 25 25 GLY N N 25 112.100 112.103 -0.003 1 1 302 . 16 1 1 A 26 26 THR H H 26 8.060 8.387 -0.327 1 1 303 . 16 1 1 A 26 26 THR HA H 26 5.430 4.965 0.465 1 1 308 . 16 1 1 A 26 26 THR C C 26 177.260 173.240 4.020 1 1 309 . 16 1 1 A 26 26 THR CA C 26 59.500 58.866 0.634 1 1 310 . 16 1 1 A 26 26 THR CB C 26 72.800 72.989 -0.189 1 1 312 . 16 1 1 A 26 26 THR N N 26 110.950 110.003 0.947 1 1 313 . 16 1 1 A 27 27 ILE H H 27 9.890 8.791 1.099 1 1 314 . 16 1 1 A 27 27 ILE HA H 27 4.680 5.098 -0.418 1 1 324 . 16 1 1 A 27 27 ILE C C 27 173.810 175.689 -1.879 1 1 325 . 16 1 1 A 27 27 ILE CA C 27 61.250 60.474 0.776 1 1 326 . 16 1 1 A 27 27 ILE CB C 27 40.700 38.568 2.132 1 1 330 . 16 1 1 A 27 27 ILE N N 27 125.400 123.333 2.067 1 1 331 . 16 1 1 A 28 28 THR H H 28 8.290 8.389 -0.099 1 1 332 . 16 1 1 A 28 28 THR HA H 28 4.680 4.939 -0.259 1 1 337 . 16 1 1 A 28 28 THR C C 28 173.550 176.180 -2.630 1 1 338 . 16 1 1 A 28 28 THR CA C 28 59.200 59.426 -0.226 1 1 339 . 16 1 1 A 28 28 THR CB C 28 72.600 72.059 0.541 1 1 341 . 16 1 1 A 28 28 THR N N 28 116.000 117.860 -1.860 1 1 342 . 16 1 1 A 29 29 THR H H 29 9.180 8.877 0.303 1 1 343 . 16 1 1 A 29 29 THR HA H 29 3.570 3.881 -0.311 1 1 348 . 16 1 1 A 29 29 THR C C 29 176.080 176.884 -0.804 1 1 349 . 16 1 1 A 29 29 THR CA C 29 66.100 66.629 -0.529 1 1 350 . 16 1 1 A 29 29 THR CB C 29 67.650 68.313 -0.663 1 1 352 . 16 1 1 A 29 29 THR N N 29 111.440 114.993 -3.553 1 1 353 . 16 1 1 A 30 30 LYS H H 30 7.340 8.167 -0.827 1 1 354 . 16 1 1 A 30 30 LYS HA H 30 3.960 3.961 -0.001 1 1 363 . 16 1 1 A 30 30 LYS C C 30 176.660 179.147 -2.487 1 1 364 . 16 1 1 A 30 30 LYS CA C 30 59.100 59.706 -0.606 1 1 365 . 16 1 1 A 30 30 LYS CB C 30 32.700 32.260 0.440 1 1 369 . 16 1 1 A 30 30 LYS N N 30 120.350 121.732 -1.382 1 1 370 . 16 1 1 A 31 31 GLU H H 31 7.760 8.319 -0.559 1 1 371 . 16 1 1 A 31 31 GLU HA H 31 4.000 4.114 -0.114 1 1 376 . 16 1 1 A 31 31 GLU C C 31 177.230 179.049 -1.819 1 1 377 . 16 1 1 A 31 31 GLU CA C 31 59.600 58.953 0.647 1 1 378 . 16 1 1 A 31 31 GLU CB C 31 29.600 28.321 1.279 1 1 380 . 16 1 1 A 31 31 GLU N N 31 122.300 117.669 4.631 1 1 381 . 16 1 1 A 32 32 LEU H H 32 8.370 8.173 0.197 1 1 382 . 16 1 1 A 32 32 LEU HA H 32 4.060 3.894 0.166 1 1 392 . 16 1 1 A 32 32 LEU C C 32 179.400 178.724 0.676 1 1 393 . 16 1 1 A 32 32 LEU CA C 32 57.550 57.873 -0.323 1 1 394 . 16 1 1 A 32 32 LEU CB C 32 41.700 42.015 -0.315 1 1 398 . 16 1 1 A 32 32 LEU N N 32 120.100 123.176 -3.076 1 1 399 . 16 1 1 A 33 33 GLY H H 33 8.650 7.955 0.695 1 1 400 . 16 1 1 A 33 33 GLY HA2 H 33 3.450 3.802 -0.352 1 1 401 . 16 1 1 A 33 33 GLY HA3 H 33 3.800 3.802 -0.002 1 1 402 . 16 1 1 A 33 33 GLY C C 33 179.640 176.179 3.461 1 1 403 . 16 1 1 A 33 33 GLY CA C 33 48.300 47.860 0.440 1 1 404 . 16 1 1 A 33 33 GLY N N 33 105.700 106.160 -0.460 1 1 405 . 16 1 1 A 34 34 THR H H 34 8.070 7.797 0.273 1 1 406 . 16 1 1 A 34 34 THR HA H 34 3.790 4.015 -0.225 1 1 411 . 16 1 1 A 34 34 THR C C 34 178.670 176.133 2.537 1 1 412 . 16 1 1 A 34 34 THR CA C 34 67.300 67.018 0.282 1 1 413 . 16 1 1 A 34 34 THR CB C 34 68.700 68.630 0.070 1 1 415 . 16 1 1 A 34 34 THR N N 34 118.140 118.658 -0.518 1 1 416 . 16 1 1 A 35 35 VAL H H 35 7.510 7.766 -0.256 1 1 417 . 16 1 1 A 35 35 VAL HA H 35 3.480 3.560 -0.080 1 1 425 . 16 1 1 A 35 35 VAL C C 35 175.050 177.647 -2.597 1 1 426 . 16 1 1 A 35 35 VAL CA C 35 66.500 66.761 -0.261 1 1 427 . 16 1 1 A 35 35 VAL CB C 35 31.400 31.344 0.056 1 1 430 . 16 1 1 A 35 35 VAL N N 35 121.400 121.943 -0.543 1 1 431 . 16 1 1 A 36 36 MET H H 36 8.530 7.980 0.550 1 1 432 . 16 1 1 A 36 36 MET HA H 36 3.590 4.121 -0.531 1 1 440 . 16 1 1 A 36 36 MET C C 36 177.410 177.838 -0.428 1 1 441 . 16 1 1 A 36 36 MET CA C 36 61.900 58.550 3.350 1 1 442 . 16 1 1 A 36 36 MET CB C 36 32.600 31.148 1.452 1 1 445 . 16 1 1 A 36 36 MET N N 36 118.970 118.069 0.901 1 1 446 . 16 1 1 A 37 37 ARG H H 37 8.600 8.316 0.284 1 1 447 . 16 1 1 A 37 37 ARG HA H 37 4.720 4.151 0.569 1 1 454 . 16 1 1 A 37 37 ARG C C 37 179.250 178.828 0.422 1 1 455 . 16 1 1 A 37 37 ARG CA C 37 59.450 59.364 0.086 1 1 456 . 16 1 1 A 37 37 ARG CB C 37 30.200 30.134 0.066 1 1 459 . 16 1 1 A 37 37 ARG N N 37 118.400 120.328 -1.928 1 1 460 . 16 1 1 A 38 38 SER H H 38 7.830 8.061 -0.231 1 1 461 . 16 1 1 A 38 38 SER HA H 38 4.240 4.309 -0.069 1 1 464 . 16 1 1 A 38 38 SER C C 38 178.480 176.672 1.808 1 1 465 . 16 1 1 A 38 38 SER CA C 38 62.100 61.316 0.784 1 1 466 . 16 1 1 A 38 38 SER CB C 38 63.400 62.906 0.494 1 1 467 . 16 1 1 A 38 38 SER N N 38 119.400 115.355 4.045 1 1 468 . 16 1 1 A 39 39 LEU H H 39 7.280 8.132 -0.852 1 1 469 . 16 1 1 A 39 39 LEU HA H 39 4.360 4.463 -0.103 1 1 479 . 16 1 1 A 39 39 LEU C C 39 178.240 176.776 1.464 1 1 480 . 16 1 1 A 39 39 LEU CA C 39 54.300 55.552 -1.252 1 1 481 . 16 1 1 A 39 39 LEU CB C 39 42.100 42.806 -0.706 1 1 485 . 16 1 1 A 39 39 LEU N N 39 119.950 123.617 -3.667 1 1 486 . 16 1 1 A 40 40 GLY H H 40 7.740 8.215 -0.475 1 1 487 . 16 1 1 A 40 40 GLY HA2 H 40 4.140 3.955 0.185 1 1 488 . 16 1 1 A 40 40 GLY HA3 H 40 3.650 3.960 -0.310 1 1 489 . 16 1 1 A 40 40 GLY C C 40 176.140 173.979 2.161 1 1 490 . 16 1 1 A 40 40 GLY CA C 40 45.300 45.697 -0.397 1 1 491 . 16 1 1 A 40 40 GLY N N 40 105.750 108.278 -2.528 1 1 492 . 16 1 1 A 41 41 GLN H H 41 7.710 7.838 -0.128 1 1 493 . 16 1 1 A 41 41 GLN HA H 41 4.360 4.705 -0.345 1 1 500 . 16 1 1 A 41 41 GLN C C 41 176.700 175.086 1.614 1 1 501 . 16 1 1 A 41 41 GLN CA C 41 54.900 54.166 0.734 1 1 502 . 16 1 1 A 41 41 GLN CB C 41 29.600 30.910 -1.310 1 1 504 . 16 1 1 A 41 41 GLN N N 41 118.400 119.211 -0.811 1 1 506 . 16 1 1 A 42 42 ASN H H 42 8.640 8.983 -0.343 1 1 507 . 16 1 1 A 42 42 ASN HA H 42 5.150 5.362 -0.212 1 1 512 . 16 1 1 A 42 42 ASN CA C 42 51.200 50.170 1.030 1 1 513 . 16 1 1 A 42 42 ASN CB C 42 39.500 38.987 0.513 1 1 514 . 16 1 1 A 42 42 ASN N N 42 115.610 122.061 -6.451 1 1 516 . 16 1 1 A 43 43 PRO HA H 43 4.540 4.565 -0.025 1 1 523 . 16 1 1 A 43 43 PRO C C 43 179.440 176.861 2.579 1 1 524 . 16 1 1 A 43 43 PRO CA C 43 62.450 62.928 -0.478 1 1 525 . 16 1 1 A 43 43 PRO CB C 43 31.500 31.822 -0.322 1 1 528 . 16 1 1 A 44 44 THR H H 44 8.660 8.092 0.568 1 1 529 . 16 1 1 A 44 44 THR HA H 44 4.340 4.512 -0.172 1 1 534 . 16 1 1 A 44 44 THR CA C 44 60.450 60.507 -0.057 1 1 535 . 16 1 1 A 44 44 THR CB C 44 71.400 71.014 0.386 1 1 537 . 16 1 1 A 44 44 THR N N 44 112.600 112.975 -0.375 1 1 538 . 16 1 1 A 45 45 GLU H H 45 8.720 9.059 -0.339 1 1 539 . 16 1 1 A 45 45 GLU HA H 45 3.870 4.058 -0.188 1 1 544 . 16 1 1 A 45 45 GLU C C 45 174.270 178.589 -4.319 1 1 545 . 16 1 1 A 45 45 GLU CA C 45 59.900 59.309 0.591 1 1 546 . 16 1 1 A 45 45 GLU CB C 45 29.200 29.181 0.019 1 1 548 . 16 1 1 A 45 45 GLU N N 45 120.150 120.697 -0.547 1 1 549 . 16 1 1 A 46 46 ALA H H 46 8.200 8.336 -0.136 1 1 550 . 16 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 16 1 1 A 46 46 ALA C C 46 175.180 180.026 -4.846 1 1 555 . 16 1 1 A 46 46 ALA CA C 46 55.100 54.878 0.222 1 1 556 . 16 1 1 A 46 46 ALA CB C 46 18.300 18.225 0.075 1 1 557 . 16 1 1 A 46 46 ALA N N 46 120.450 122.017 -1.567 1 1 558 . 16 1 1 A 47 47 GLU H H 47 7.630 7.819 -0.189 1 1 559 . 16 1 1 A 47 47 GLU HA H 47 3.890 4.129 -0.239 1 1 564 . 16 1 1 A 47 47 GLU C C 47 179.020 179.086 -0.066 1 1 565 . 16 1 1 A 47 47 GLU CA C 47 59.500 58.755 0.745 1 1 566 . 16 1 1 A 47 47 GLU CB C 47 29.600 29.480 0.120 1 1 568 . 16 1 1 A 47 47 GLU N N 47 118.320 118.478 -0.158 1 1 569 . 16 1 1 A 48 48 LEU H H 48 7.880 8.282 -0.402 1 1 570 . 16 1 1 A 48 48 LEU HA H 48 3.790 3.970 -0.180 1 1 580 . 16 1 1 A 48 48 LEU C C 48 180.200 179.548 0.652 1 1 581 . 16 1 1 A 48 48 LEU CA C 48 58.150 57.907 0.243 1 1 582 . 16 1 1 A 48 48 LEU CB C 48 42.800 41.647 1.153 1 1 586 . 16 1 1 A 48 48 LEU N N 48 119.000 120.258 -1.258 1 1 587 . 16 1 1 A 49 49 GLN H H 49 8.080 8.294 -0.214 1 1 588 . 16 1 1 A 49 49 GLN HA H 49 3.630 4.020 -0.390 1 1 595 . 16 1 1 A 49 49 GLN C C 49 177.680 178.291 -0.611 1 1 596 . 16 1 1 A 49 49 GLN CA C 49 58.600 58.931 -0.331 1 1 597 . 16 1 1 A 49 49 GLN CB C 49 28.500 28.560 -0.060 1 1 599 . 16 1 1 A 49 49 GLN N N 49 117.400 118.670 -1.270 1 1 601 . 16 1 1 A 50 50 ASP H H 50 7.960 8.185 -0.225 1 1 602 . 16 1 1 A 50 50 ASP HA H 50 4.300 4.368 -0.068 1 1 605 . 16 1 1 A 50 50 ASP C C 50 178.470 179.152 -0.682 1 1 606 . 16 1 1 A 50 50 ASP CA C 50 57.700 57.591 0.109 1 1 607 . 16 1 1 A 50 50 ASP CB C 50 40.600 40.549 0.051 1 1 608 . 16 1 1 A 50 50 ASP N N 50 119.050 120.132 -1.082 1 1 609 . 16 1 1 A 51 51 MET H H 51 7.750 8.322 -0.572 1 1 610 . 16 1 1 A 51 51 MET HA H 51 4.000 4.175 -0.175 1 1 618 . 16 1 1 A 51 51 MET C C 51 178.170 178.719 -0.549 1 1 619 . 16 1 1 A 51 51 MET CA C 51 59.500 58.524 0.976 1 1 620 . 16 1 1 A 51 51 MET CB C 51 34.700 32.985 1.715 1 1 623 . 16 1 1 A 51 51 MET N N 51 117.900 118.394 -0.494 1 1 624 . 16 1 1 A 52 52 ILE H H 52 7.580 7.979 -0.399 1 1 625 . 16 1 1 A 52 52 ILE HA H 52 3.620 3.498 0.122 1 1 635 . 16 1 1 A 52 52 ILE C C 52 178.690 177.823 0.867 1 1 636 . 16 1 1 A 52 52 ILE CA C 52 63.600 65.313 -1.713 1 1 637 . 16 1 1 A 52 52 ILE CB C 52 36.700 38.017 -1.317 1 1 641 . 16 1 1 A 52 52 ILE N N 52 116.850 119.122 -2.272 1 1 642 . 16 1 1 A 53 53 ASN H H 53 8.570 8.473 0.097 1 1 643 . 16 1 1 A 53 53 ASN HA H 53 4.310 4.445 -0.135 1 1 648 . 16 1 1 A 53 53 ASN CA C 53 56.400 56.456 -0.056 1 1 649 . 16 1 1 A 53 53 ASN CB C 53 38.300 37.874 0.426 1 1 650 . 16 1 1 A 53 53 ASN N N 53 116.900 118.029 -1.129 1 1 652 . 16 1 1 A 54 54 GLU H H 54 7.520 7.887 -0.367 1 1 653 . 16 1 1 A 54 54 GLU HA H 54 3.950 4.090 -0.140 1 1 658 . 16 1 1 A 54 54 GLU C C 54 178.070 178.570 -0.500 1 1 659 . 16 1 1 A 54 54 GLU CA C 54 59.000 58.955 0.045 1 1 660 . 16 1 1 A 54 54 GLU CB C 54 29.800 29.537 0.263 1 1 662 . 16 1 1 A 54 54 GLU N N 54 115.650 119.511 -3.861 1 1 663 . 16 1 1 A 55 55 VAL H H 55 7.020 7.128 -0.108 1 1 664 . 16 1 1 A 55 55 VAL HA H 55 4.110 4.045 0.065 1 1 672 . 16 1 1 A 55 55 VAL C C 55 177.890 176.076 1.814 1 1 673 . 16 1 1 A 55 55 VAL CA C 55 61.210 64.207 -2.997 1 1 674 . 16 1 1 A 55 55 VAL CB C 55 33.100 32.155 0.945 1 1 677 . 16 1 1 A 55 55 VAL N N 55 111.500 119.111 -7.611 1 1 678 . 16 1 1 A 56 56 ASP H H 56 7.460 7.800 -0.340 1 1 679 . 16 1 1 A 56 56 ASP HA H 56 4.360 4.673 -0.313 1 1 682 . 16 1 1 A 56 56 ASP C C 56 177.620 176.640 0.980 1 1 683 . 16 1 1 A 56 56 ASP CA C 56 53.550 53.561 -0.011 1 1 684 . 16 1 1 A 56 56 ASP CB C 56 40.600 40.363 0.237 1 1 685 . 16 1 1 A 56 56 ASP N N 56 121.330 121.956 -0.626 1 1 686 . 16 1 1 A 57 57 ALA H H 57 7.780 8.273 -0.493 1 1 687 . 16 1 1 A 57 57 ALA HA H 57 4.080 4.077 0.003 1 1 691 . 16 1 1 A 57 57 ALA C C 57 175.320 178.395 -3.075 1 1 692 . 16 1 1 A 57 57 ALA CA C 57 55.000 55.042 -0.042 1 1 693 . 16 1 1 A 57 57 ALA CB C 57 19.800 18.535 1.265 1 1 694 . 16 1 1 A 57 57 ALA N N 57 130.400 128.077 2.323 1 1 695 . 16 1 1 A 58 58 ASP H H 58 8.140 8.303 -0.163 1 1 696 . 16 1 1 A 58 58 ASP HA H 58 4.540 4.562 -0.022 1 1 699 . 16 1 1 A 58 58 ASP C C 58 176.130 177.498 -1.368 1 1 700 . 16 1 1 A 58 58 ASP CA C 58 52.950 53.242 -0.292 1 1 701 . 16 1 1 A 58 58 ASP CB C 58 40.100 40.004 0.096 1 1 702 . 16 1 1 A 58 58 ASP N N 58 113.200 113.161 0.039 1 1 703 . 16 1 1 A 59 59 GLY H H 59 7.530 7.664 -0.134 1 1 704 . 16 1 1 A 59 59 GLY HA2 H 59 3.700 3.912 -0.212 1 1 705 . 16 1 1 A 59 59 GLY HA3 H 59 3.820 3.914 -0.094 1 1 706 . 16 1 1 A 59 59 GLY C C 59 178.830 175.284 3.546 1 1 707 . 16 1 1 A 59 59 GLY CA C 59 47.450 46.980 0.470 1 1 708 . 16 1 1 A 59 59 GLY N N 59 108.180 109.276 -1.096 1 1 709 . 16 1 1 A 60 60 ASN H H 60 8.080 8.706 -0.626 1 1 710 . 16 1 1 A 60 60 ASN HA H 60 4.500 4.683 -0.183 1 1 715 . 16 1 1 A 60 60 ASN CA C 60 52.900 52.599 0.301 1 1 716 . 16 1 1 A 60 60 ASN CB C 60 37.900 37.868 0.032 1 1 717 . 16 1 1 A 60 60 ASN N N 60 118.700 118.526 0.174 1 1 719 . 16 1 1 A 61 61 GLY H H 61 10.640 10.224 0.416 1 1 720 . 16 1 1 A 61 61 GLY HA2 H 61 3.370 3.887 -0.517 1 1 721 . 16 1 1 A 61 61 GLY HA3 H 61 4.190 3.890 0.300 1 1 722 . 16 1 1 A 61 61 GLY C C 61 174.970 173.442 1.528 1 1 723 . 16 1 1 A 61 61 GLY CA C 61 45.300 45.389 -0.089 1 1 724 . 16 1 1 A 61 61 GLY N N 61 113.400 111.860 1.540 1 1 725 . 16 1 1 A 62 62 THR H H 62 7.550 7.775 -0.225 1 1 726 . 16 1 1 A 62 62 THR HA H 62 4.620 4.949 -0.329 1 1 731 . 16 1 1 A 62 62 THR C C 62 176.870 172.627 4.243 1 1 732 . 16 1 1 A 62 62 THR CA C 62 59.550 59.750 -0.200 1 1 733 . 16 1 1 A 62 62 THR CB C 62 72.500 72.602 -0.102 1 1 735 . 16 1 1 A 62 62 THR N N 62 107.860 109.809 -1.949 1 1 736 . 16 1 1 A 63 63 ILE H H 63 8.790 8.436 0.354 1 1 737 . 16 1 1 A 63 63 ILE HA H 63 5.280 5.017 0.263 1 1 747 . 16 1 1 A 63 63 ILE C C 63 173.250 175.117 -1.867 1 1 748 . 16 1 1 A 63 63 ILE CA C 63 57.600 59.822 -2.222 1 1 749 . 16 1 1 A 63 63 ILE CB C 63 39.400 39.920 -0.520 1 1 753 . 16 1 1 A 63 63 ILE N N 63 123.900 121.114 2.786 1 1 754 . 16 1 1 A 64 64 ASP H H 64 8.720 8.921 -0.201 1 1 755 . 16 1 1 A 64 64 ASP HA H 64 5.350 5.052 0.298 1 1 758 . 16 1 1 A 64 64 ASP C C 64 172.850 177.913 -5.063 1 1 759 . 16 1 1 A 64 64 ASP CA C 64 52.100 52.768 -0.668 1 1 760 . 16 1 1 A 64 64 ASP CB C 64 42.150 43.075 -0.925 1 1 761 . 16 1 1 A 64 64 ASP N N 64 127.860 127.280 0.580 1 1 762 . 16 1 1 A 65 65 PHE H H 65 8.840 9.210 -0.370 1 1 763 . 16 1 1 A 65 65 PHE HA H 65 3.890 4.863 -0.973 1 1 771 . 16 1 1 A 65 65 PHE C C 65 175.750 174.845 0.905 1 1 772 . 16 1 1 A 65 65 PHE CA C 65 63.300 63.752 -0.452 1 1 773 . 16 1 1 A 65 65 PHE CB C 65 36.100 37.475 -1.375 1 1 779 . 16 1 1 A 65 65 PHE N N 65 117.500 122.892 -5.392 1 1 780 . 16 1 1 A 66 66 PRO HA H 66 3.770 4.383 -0.613 1 1 787 . 16 1 1 A 66 66 PRO C C 66 175.840 179.541 -3.701 1 1 788 . 16 1 1 A 66 66 PRO CA C 66 67.100 66.490 0.610 1 1 789 . 16 1 1 A 66 66 PRO CB C 66 30.700 30.908 -0.208 1 1 792 . 16 1 1 A 67 67 GLU H H 67 8.340 8.795 -0.455 1 1 793 . 16 1 1 A 67 67 GLU HA H 67 3.920 4.126 -0.206 1 1 798 . 16 1 1 A 67 67 GLU CA C 67 59.400 59.227 0.173 1 1 799 . 16 1 1 A 67 67 GLU CB C 67 29.650 29.242 0.408 1 1 801 . 16 1 1 A 67 67 GLU N N 67 117.850 118.104 -0.254 1 1 802 . 16 1 1 A 68 68 PHE H H 68 8.630 8.099 0.531 1 1 803 . 16 1 1 A 68 68 PHE HA H 68 3.670 4.125 -0.455 1 1 811 . 16 1 1 A 68 68 PHE C C 68 174.810 177.526 -2.716 1 1 812 . 16 1 1 A 68 68 PHE CA C 68 61.400 61.248 0.152 1 1 813 . 16 1 1 A 68 68 PHE CB C 68 40.700 39.138 1.562 1 1 819 . 16 1 1 A 68 68 PHE N N 68 123.200 123.224 -0.024 1 1 820 . 16 1 1 A 69 69 LEU H H 69 8.800 8.782 0.018 1 1 821 . 16 1 1 A 69 69 LEU HA H 69 3.130 4.167 -1.037 1 1 831 . 16 1 1 A 69 69 LEU C C 69 179.310 179.109 0.201 1 1 832 . 16 1 1 A 69 69 LEU CA C 69 58.000 58.349 -0.349 1 1 833 . 16 1 1 A 69 69 LEU CB C 69 41.550 41.809 -0.259 1 1 837 . 16 1 1 A 69 69 LEU N N 69 119.930 120.128 -0.198 1 1 838 . 16 1 1 A 70 70 THR H H 70 7.550 7.660 -0.110 1 1 839 . 16 1 1 A 70 70 THR HA H 70 3.530 3.822 -0.292 1 1 844 . 16 1 1 A 70 70 THR C C 70 180.360 177.096 3.264 1 1 845 . 16 1 1 A 70 70 THR CA C 70 66.700 66.856 -0.156 1 1 846 . 16 1 1 A 70 70 THR CB C 70 68.500 68.352 0.148 1 1 848 . 16 1 1 A 70 70 THR N N 70 114.730 114.401 0.329 1 1 849 . 16 1 1 A 71 71 MET H H 71 7.000 8.516 -1.516 1 1 850 . 16 1 1 A 71 71 MET HA H 71 3.640 4.129 -0.489 1 1 858 . 16 1 1 A 71 71 MET C C 71 176.750 178.983 -2.233 1 1 859 . 16 1 1 A 71 71 MET CA C 71 58.800 58.429 0.371 1 1 860 . 16 1 1 A 71 71 MET CB C 71 32.000 32.188 -0.188 1 1 863 . 16 1 1 A 71 71 MET N N 71 119.750 118.955 0.795 1 1 864 . 16 1 1 A 72 72 MET H H 72 7.810 7.996 -0.186 1 1 865 . 16 1 1 A 72 72 MET HA H 72 3.880 4.169 -0.289 1 1 873 . 16 1 1 A 72 72 MET C C 72 174.850 178.268 -3.418 1 1 874 . 16 1 1 A 72 72 MET CA C 72 55.100 59.042 -3.942 1 1 875 . 16 1 1 A 72 72 MET CB C 72 28.900 32.971 -4.071 1 1 878 . 16 1 1 A 72 72 MET N N 72 115.300 118.311 -3.011 1 1 879 . 16 1 1 A 73 73 ALA H H 73 7.880 8.287 -0.407 1 1 880 . 16 1 1 A 73 73 ALA HA H 73 3.990 4.017 -0.027 1 1 884 . 16 1 1 A 73 73 ALA C C 73 177.940 179.975 -2.035 1 1 885 . 16 1 1 A 73 73 ALA CA C 73 53.900 55.230 -1.330 1 1 886 . 16 1 1 A 73 73 ALA CB C 73 18.600 18.373 0.227 1 1 887 . 16 1 1 A 73 73 ALA N N 73 120.000 121.064 -1.064 1 1 888 . 16 1 1 A 74 74 ARG H H 74 7.050 7.453 -0.403 1 1 889 . 16 1 1 A 74 74 ARG HA H 74 4.040 4.167 -0.127 1 1 896 . 16 1 1 A 74 74 ARG C C 74 178.910 176.859 2.051 1 1 897 . 16 1 1 A 74 74 ARG CA C 74 57.400 58.270 -0.870 1 1 898 . 16 1 1 A 74 74 ARG CB C 74 30.900 30.325 0.575 1 1 901 . 16 1 1 A 74 74 ARG N N 74 115.850 118.194 -2.344 1 1 902 . 16 1 1 A 75 75 LYS H H 75 7.820 7.745 0.075 1 1 903 . 16 1 1 A 75 75 LYS HA H 75 4.200 4.319 -0.119 1 1 912 . 16 1 1 A 75 75 LYS C C 75 178.770 176.572 2.198 1 1 913 . 16 1 1 A 75 75 LYS CA C 75 55.900 55.052 0.848 1 1 914 . 16 1 1 A 75 75 LYS CB C 75 32.600 30.894 1.706 1 1 918 . 16 1 1 A 75 75 LYS N N 75 119.600 118.865 0.735 1 1 919 . 16 1 1 A 76 76 MET H H 76 8.100 8.293 -0.193 1 1 920 . 16 1 1 A 76 76 MET HA H 76 4.300 4.855 -0.555 1 1 928 . 16 1 1 A 76 76 MET C C 76 176.990 175.887 1.103 1 1 929 . 16 1 1 A 76 76 MET CA C 76 55.800 53.954 1.846 1 1 930 . 16 1 1 A 76 76 MET CB C 76 33.800 32.945 0.855 1 1 933 . 16 1 1 A 76 76 MET N N 76 122.300 124.460 -2.160 1 1 934 . 16 1 1 A 77 77 LYS H H 77 8.150 7.605 0.545 1 1 935 . 16 1 1 A 77 77 LYS HA H 77 4.210 4.091 0.119 1 1 944 . 16 1 1 A 77 77 LYS C C 77 176.890 175.368 1.522 1 1 945 . 16 1 1 A 77 77 LYS CA C 77 56.100 56.816 -0.716 1 1 946 . 16 1 1 A 77 77 LYS CB C 77 33.000 32.771 0.229 1 1 950 . 16 1 1 A 77 77 LYS N N 77 121.300 122.367 -1.067 1 1 951 . 16 1 1 A 78 78 ASP H H 78 8.240 8.638 -0.398 1 1 952 . 16 1 1 A 78 78 ASP HA H 78 4.500 4.882 -0.382 1 1 955 . 16 1 1 A 78 78 ASP C C 78 176.090 174.745 1.345 1 1 956 . 16 1 1 A 78 78 ASP CA C 78 54.700 53.239 1.461 1 1 957 . 16 1 1 A 78 78 ASP CB C 78 41.300 41.280 0.020 1 1 958 . 16 1 1 A 78 78 ASP N N 78 122.200 126.017 -3.817 1 1 959 . 16 1 1 A 79 79 THR H H 79 8.150 8.754 -0.604 1 1 960 . 16 1 1 A 79 79 THR HA H 79 4.220 4.705 -0.485 1 1 965 . 16 1 1 A 79 79 THR C C 79 176.240 174.025 2.215 1 1 966 . 16 1 1 A 79 79 THR CA C 79 61.500 62.477 -0.977 1 1 967 . 16 1 1 A 79 79 THR CB C 79 70.300 69.651 0.649 1 1 969 . 16 1 1 A 79 79 THR N N 79 114.940 121.823 -6.883 1 1 970 . 16 1 1 A 80 80 ASP H H 80 8.480 8.909 -0.429 1 1 971 . 16 1 1 A 80 80 ASP HA H 80 4.600 4.655 -0.055 1 1 974 . 16 1 1 A 80 80 ASP C C 80 176.230 176.697 -0.467 1 1 975 . 16 1 1 A 80 80 ASP CA C 80 54.100 54.689 -0.589 1 1 976 . 16 1 1 A 80 80 ASP CB C 80 41.600 40.609 0.991 1 1 977 . 16 1 1 A 80 80 ASP N N 80 123.800 127.574 -3.774 1 1 978 . 16 1 1 A 81 81 SER H H 81 8.500 8.947 -0.447 1 1 979 . 16 1 1 A 81 81 SER HA H 81 4.220 4.358 -0.138 1 1 982 . 16 1 1 A 81 81 SER C C 81 173.900 176.714 -2.814 1 1 983 . 16 1 1 A 81 81 SER CA C 81 60.400 61.882 -1.482 1 1 984 . 16 1 1 A 81 81 SER CB C 81 63.700 62.703 0.997 1 1 985 . 16 1 1 A 81 81 SER N N 81 118.450 120.570 -2.120 1 1 986 . 16 1 1 A 82 82 GLU H H 82 8.430 8.053 0.377 1 1 987 . 16 1 1 A 82 82 GLU HA H 82 4.010 4.178 -0.168 1 1 992 . 16 1 1 A 82 82 GLU C C 82 176.370 179.350 -2.980 1 1 993 . 16 1 1 A 82 82 GLU CA C 82 59.100 59.288 -0.188 1 1 994 . 16 1 1 A 82 82 GLU CB C 82 29.600 29.134 0.466 1 1 996 . 16 1 1 A 82 82 GLU N N 82 121.850 121.178 0.672 1 1 997 . 16 1 1 A 83 83 GLU H H 83 8.020 8.916 -0.896 1 1 998 . 16 1 1 A 83 83 GLU HA H 83 4.040 4.036 0.004 1 1 1003 . 16 1 1 A 83 83 GLU C C 83 175.890 178.082 -2.192 1 1 1004 . 16 1 1 A 83 83 GLU CA C 83 58.800 59.385 -0.585 1 1 1005 . 16 1 1 A 83 83 GLU CB C 83 29.400 29.296 0.104 1 1 1007 . 16 1 1 A 83 83 GLU N N 83 119.470 119.646 -0.176 1 1 1008 . 16 1 1 A 84 84 GLU H H 84 7.930 8.028 -0.098 1 1 1009 . 16 1 1 A 84 84 GLU HA H 84 4.150 4.285 -0.135 1 1 1014 . 16 1 1 A 84 84 GLU C C 84 176.160 178.602 -2.442 1 1 1015 . 16 1 1 A 84 84 GLU CA C 84 59.400 58.242 1.158 1 1 1016 . 16 1 1 A 84 84 GLU CB C 84 29.600 30.160 -0.560 1 1 1018 . 16 1 1 A 84 84 GLU N N 84 118.310 117.970 0.340 1 1 1019 . 16 1 1 A 85 85 ILE H H 85 7.880 7.970 -0.090 1 1 1020 . 16 1 1 A 85 85 ILE HA H 85 3.880 3.734 0.146 1 1 1030 . 16 1 1 A 85 85 ILE C C 85 179.870 177.910 1.960 1 1 1031 . 16 1 1 A 85 85 ILE CA C 85 65.400 65.130 0.270 1 1 1032 . 16 1 1 A 85 85 ILE CB C 85 37.400 37.630 -0.230 1 1 1036 . 16 1 1 A 85 85 ILE N N 85 120.900 121.592 -0.692 1 1 1037 . 16 1 1 A 86 86 ARG H H 86 7.990 8.272 -0.282 1 1 1038 . 16 1 1 A 86 86 ARG HA H 86 4.030 4.139 -0.109 1 1 1045 . 16 1 1 A 86 86 ARG C C 86 180.520 178.609 1.911 1 1 1046 . 16 1 1 A 86 86 ARG CA C 86 60.200 59.112 1.088 1 1 1047 . 16 1 1 A 86 86 ARG CB C 86 29.800 30.214 -0.414 1 1 1050 . 16 1 1 A 86 86 ARG N N 86 121.000 120.575 0.425 1 1 1051 . 16 1 1 A 87 87 GLU H H 87 8.350 8.473 -0.123 1 1 1052 . 16 1 1 A 87 87 GLU HA H 87 3.900 4.065 -0.165 1 1 1057 . 16 1 1 A 87 87 GLU C C 87 177.380 179.426 -2.046 1 1 1058 . 16 1 1 A 87 87 GLU CA C 87 59.600 59.460 0.140 1 1 1059 . 16 1 1 A 87 87 GLU CB C 87 29.500 29.492 0.008 1 1 1061 . 16 1 1 A 87 87 GLU N N 87 117.860 119.482 -1.622 1 1 1062 . 16 1 1 A 88 88 ALA H H 88 7.880 7.817 0.063 1 1 1063 . 16 1 1 A 88 88 ALA HA H 88 4.060 4.227 -0.167 1 1 1067 . 16 1 1 A 88 88 ALA C C 88 178.580 179.676 -1.096 1 1 1068 . 16 1 1 A 88 88 ALA CA C 88 55.200 54.847 0.353 1 1 1069 . 16 1 1 A 88 88 ALA CB C 88 17.900 18.184 -0.284 1 1 1070 . 16 1 1 A 88 88 ALA N N 88 120.100 122.773 -2.673 1 1 1071 . 16 1 1 A 89 89 PHE H H 89 8.550 7.883 0.667 1 1 1072 . 16 1 1 A 89 89 PHE HA H 89 4.000 3.713 0.287 1 1 1080 . 16 1 1 A 89 89 PHE C C 89 179.770 177.387 2.383 1 1 1081 . 16 1 1 A 89 89 PHE CA C 89 61.800 61.190 0.610 1 1 1082 . 16 1 1 A 89 89 PHE CB C 89 39.130 39.026 0.104 1 1 1088 . 16 1 1 A 89 89 PHE N N 89 118.760 119.433 -0.673 1 1 1089 . 16 1 1 A 90 90 ARG H H 90 7.750 7.859 -0.109 1 1 1090 . 16 1 1 A 90 90 ARG HA H 90 3.760 4.099 -0.339 1 1 1097 . 16 1 1 A 90 90 ARG C C 90 179.090 178.843 0.247 1 1 1098 . 16 1 1 A 90 90 ARG CA C 90 58.800 59.156 -0.356 1 1 1099 . 16 1 1 A 90 90 ARG CB C 90 30.500 29.814 0.686 1 1 1102 . 16 1 1 A 90 90 ARG N N 90 115.100 118.406 -3.306 1 1 1103 . 16 1 1 A 91 91 VAL H H 91 7.270 7.509 -0.239 1 1 1104 . 16 1 1 A 91 91 VAL HA H 91 3.360 3.577 -0.217 1 1 1112 . 16 1 1 A 91 91 VAL C C 91 179.060 178.063 0.997 1 1 1113 . 16 1 1 A 91 91 VAL CA C 91 66.050 66.378 -0.328 1 1 1114 . 16 1 1 A 91 91 VAL CB C 91 31.200 31.764 -0.564 1 1 1117 . 16 1 1 A 91 91 VAL N N 91 117.450 119.516 -2.066 1 1 1118 . 16 1 1 A 92 92 PHE H H 92 7.000 7.794 -0.794 1 1 1119 . 16 1 1 A 92 92 PHE HA H 92 4.070 4.186 -0.116 1 1 1127 . 16 1 1 A 92 92 PHE C C 92 177.490 176.402 1.088 1 1 1128 . 16 1 1 A 92 92 PHE CA C 92 60.700 59.748 0.952 1 1 1129 . 16 1 1 A 92 92 PHE CB C 92 38.000 39.436 -1.436 1 1 1135 . 16 1 1 A 92 92 PHE N N 92 114.400 118.517 -4.117 1 1 1136 . 16 1 1 A 93 93 ASP H H 93 7.870 8.101 -0.231 1 1 1137 . 16 1 1 A 93 93 ASP HA H 93 4.450 4.462 -0.012 1 1 1140 . 16 1 1 A 93 93 ASP C C 93 176.830 176.231 0.599 1 1 1141 . 16 1 1 A 93 93 ASP CA C 93 52.300 52.427 -0.127 1 1 1142 . 16 1 1 A 93 93 ASP CB C 93 38.800 39.370 -0.570 1 1 1143 . 16 1 1 A 93 93 ASP N N 93 115.100 117.072 -1.972 1 1 1144 . 16 1 1 A 94 94 LYS H H 94 7.510 8.655 -1.145 1 1 1145 . 16 1 1 A 94 94 LYS HA H 94 3.770 3.785 -0.015 1 1 1154 . 16 1 1 A 94 94 LYS C C 94 176.650 177.671 -1.021 1 1 1155 . 16 1 1 A 94 94 LYS CA C 94 59.400 59.994 -0.594 1 1 1156 . 16 1 1 A 94 94 LYS CB C 94 32.800 32.180 0.620 1 1 1160 . 16 1 1 A 94 94 LYS N N 94 124.250 126.505 -2.255 1 1 1161 . 16 1 1 A 95 95 ASP H H 95 8.190 7.526 0.664 1 1 1162 . 16 1 1 A 95 95 ASP HA H 95 4.430 4.599 -0.169 1 1 1165 . 16 1 1 A 95 95 ASP C C 95 177.580 177.603 -0.023 1 1 1166 . 16 1 1 A 95 95 ASP CA C 95 53.600 53.182 0.418 1 1 1167 . 16 1 1 A 95 95 ASP CB C 95 39.900 39.944 -0.044 1 1 1168 . 16 1 1 A 95 95 ASP N N 95 113.600 114.904 -1.304 1 1 1169 . 16 1 1 A 96 96 GLY H H 96 7.770 7.960 -0.190 1 1 1170 . 16 1 1 A 96 96 GLY HA2 H 96 3.750 3.909 -0.159 1 1 1171 . 16 1 1 A 96 96 GLY HA3 H 96 3.750 3.910 -0.160 1 1 1172 . 16 1 1 A 96 96 GLY C C 96 178.400 175.472 2.928 1 1 1173 . 16 1 1 A 96 96 GLY CA C 96 47.100 47.011 0.089 1 1 1174 . 16 1 1 A 96 96 GLY N N 96 108.900 109.125 -0.225 1 1 1175 . 16 1 1 A 97 97 ASN H H 97 8.270 8.055 0.215 1 1 1176 . 16 1 1 A 97 97 ASN HA H 97 4.520 4.763 -0.243 1 1 1181 . 16 1 1 A 97 97 ASN CA C 97 52.900 52.485 0.415 1 1 1182 . 16 1 1 A 97 97 ASN CB C 97 38.100 38.096 0.004 1 1 1183 . 16 1 1 A 97 97 ASN N N 97 119.460 118.875 0.585 1 1 1185 . 16 1 1 A 98 98 GLY H H 98 10.660 9.535 1.125 1 1 1186 . 16 1 1 A 98 98 GLY HA2 H 98 3.330 3.625 -0.295 1 1 1187 . 16 1 1 A 98 98 GLY HA3 H 98 3.960 3.826 0.134 1 1 1188 . 16 1 1 A 98 98 GLY C C 98 178.360 172.675 5.685 1 1 1189 . 16 1 1 A 98 98 GLY CA C 98 45.800 45.311 0.489 1 1 1190 . 16 1 1 A 98 98 GLY N N 98 112.700 111.742 0.958 1 1 1191 . 16 1 1 A 99 99 TYR H H 99 7.570 8.077 -0.507 1 1 1192 . 16 1 1 A 99 99 TYR HA H 99 4.850 5.366 -0.516 1 1 1199 . 16 1 1 A 99 99 TYR C C 99 176.090 175.053 1.037 1 1 1200 . 16 1 1 A 99 99 TYR CA C 99 56.250 55.970 0.280 1 1 1201 . 16 1 1 A 99 99 TYR CB C 99 42.700 43.196 -0.496 1 1 1206 . 16 1 1 A 99 99 TYR N N 99 115.850 117.367 -1.517 1 1 1207 . 16 1 1 A 100 100 ILE H H 100 10.120 9.263 0.857 1 1 1208 . 16 1 1 A 100 100 ILE HA H 100 4.600 4.831 -0.231 1 1 1218 . 16 1 1 A 100 100 ILE C C 100 172.730 175.320 -2.590 1 1 1219 . 16 1 1 A 100 100 ILE CA C 100 61.500 60.556 0.944 1 1 1220 . 16 1 1 A 100 100 ILE CB C 100 39.300 39.053 0.247 1 1 1224 . 16 1 1 A 100 100 ILE N N 100 127.260 124.853 2.407 1 1 1225 . 16 1 1 A 101 101 SER H H 101 9.010 9.238 -0.228 1 1 1226 . 16 1 1 A 101 101 SER HA H 101 4.820 4.814 0.006 1 1 1229 . 16 1 1 A 101 101 SER C C 101 174.660 175.762 -1.102 1 1 1230 . 16 1 1 A 101 101 SER CA C 101 55.900 57.476 -1.576 1 1 1231 . 16 1 1 A 101 101 SER CB C 101 67.000 64.641 2.359 1 1 1232 . 16 1 1 A 101 101 SER N N 101 123.850 122.833 1.017 1 1 1233 . 16 1 1 A 102 102 ALA H H 102 9.240 9.005 0.235 1 1 1234 . 16 1 1 A 102 102 ALA HA H 102 3.830 4.053 -0.223 1 1 1238 . 16 1 1 A 102 102 ALA C C 102 175.840 179.894 -4.054 1 1 1239 . 16 1 1 A 102 102 ALA CA C 102 56.170 55.824 0.346 1 1 1240 . 16 1 1 A 102 102 ALA CB C 102 18.200 17.941 0.259 1 1 1241 . 16 1 1 A 102 102 ALA N N 102 122.650 130.220 -7.570 1 1 1242 . 16 1 1 A 103 103 ALA H H 103 8.180 8.215 -0.035 1 1 1243 . 16 1 1 A 103 103 ALA HA H 103 3.980 3.977 0.003 1 1 1247 . 16 1 1 A 103 103 ALA C C 103 175.260 180.249 -4.989 1 1 1248 . 16 1 1 A 103 103 ALA CA C 103 55.200 55.209 -0.009 1 1 1249 . 16 1 1 A 103 103 ALA CB C 103 18.500 18.749 -0.249 1 1 1250 . 16 1 1 A 103 103 ALA N N 103 118.250 119.752 -1.502 1 1 1251 . 16 1 1 A 104 104 GLU H H 104 7.860 7.905 -0.045 1 1 1252 . 16 1 1 A 104 104 GLU HA H 104 3.890 3.906 -0.016 1 1 1257 . 16 1 1 A 104 104 GLU C C 104 179.350 179.010 0.340 1 1 1258 . 16 1 1 A 104 104 GLU CA C 104 59.800 59.363 0.437 1 1 1259 . 16 1 1 A 104 104 GLU CB C 104 29.500 29.725 -0.225 1 1 1261 . 16 1 1 A 104 104 GLU N N 104 120.200 118.054 2.146 1 1 1262 . 16 1 1 A 105 105 LEU H H 105 8.500 7.888 0.612 1 1 1263 . 16 1 1 A 105 105 LEU HA H 105 3.960 3.936 0.024 1 1 1273 . 16 1 1 A 105 105 LEU C C 105 179.190 178.540 0.650 1 1 1274 . 16 1 1 A 105 105 LEU CA C 105 58.400 57.864 0.536 1 1 1275 . 16 1 1 A 105 105 LEU CB C 105 42.600 41.613 0.987 1 1 1279 . 16 1 1 A 105 105 LEU N N 105 120.100 121.140 -1.040 1 1 1280 . 16 1 1 A 106 106 ARG H H 106 8.490 8.292 0.198 1 1 1281 . 16 1 1 A 106 106 ARG HA H 106 3.550 3.918 -0.368 1 1 1288 . 16 1 1 A 106 106 ARG C C 106 175.240 178.390 -3.150 1 1 1289 . 16 1 1 A 106 106 ARG CA C 106 60.300 59.354 0.946 1 1 1290 . 16 1 1 A 106 106 ARG CB C 106 30.400 29.819 0.581 1 1 1293 . 16 1 1 A 106 106 ARG N N 106 117.300 120.073 -2.773 1 1 1294 . 16 1 1 A 107 107 HIS H H 107 7.870 7.988 -0.118 1 1 1295 . 16 1 1 A 107 107 HIS HA H 107 4.120 4.153 -0.033 1 1 1300 . 16 1 1 A 107 107 HIS C C 107 176.690 177.303 -0.613 1 1 1301 . 16 1 1 A 107 107 HIS CA C 107 60.300 59.188 1.112 1 1 1302 . 16 1 1 A 107 107 HIS CB C 107 31.100 29.697 1.403 1 1 1304 . 16 1 1 A 107 107 HIS N N 107 120.000 119.493 0.507 1 1 1306 . 16 1 1 A 108 108 VAL H H 108 8.190 8.503 -0.313 1 1 1307 . 16 1 1 A 108 108 VAL HA H 108 3.400 3.296 0.104 1 1 1315 . 16 1 1 A 108 108 VAL C C 108 178.430 177.775 0.655 1 1 1316 . 16 1 1 A 108 108 VAL CA C 108 66.500 66.318 0.182 1 1 1317 . 16 1 1 A 108 108 VAL CB C 108 31.800 31.021 0.779 1 1 1320 . 16 1 1 A 108 108 VAL N N 108 118.980 119.468 -0.488 1 1 1321 . 16 1 1 A 109 109 MET H H 109 8.180 7.647 0.533 1 1 1322 . 16 1 1 A 109 109 MET HA H 109 4.220 4.038 0.182 1 1 1330 . 16 1 1 A 109 109 MET C C 109 179.690 178.857 0.833 1 1 1331 . 16 1 1 A 109 109 MET CA C 109 57.300 58.867 -1.567 1 1 1332 . 16 1 1 A 109 109 MET CB C 109 29.700 32.429 -2.729 1 1 1335 . 16 1 1 A 109 109 MET N N 109 114.980 117.503 -2.523 1 1 1336 . 16 1 1 A 110 110 THR H H 110 8.220 7.856 0.364 1 1 1337 . 16 1 1 A 110 110 THR HA H 110 4.000 3.771 0.229 1 1 1342 . 16 1 1 A 110 110 THR C C 110 176.410 176.102 0.308 1 1 1343 . 16 1 1 A 110 110 THR CA C 110 67.100 66.989 0.111 1 1 1344 . 16 1 1 A 110 110 THR CB C 110 68.500 67.973 0.527 1 1 1346 . 16 1 1 A 110 110 THR N N 110 116.970 115.373 1.597 1 1 1347 . 16 1 1 A 111 111 ASN H H 111 7.780 7.720 0.060 1 1 1348 . 16 1 1 A 111 111 ASN HA H 111 4.320 4.393 -0.073 1 1 1353 . 16 1 1 A 111 111 ASN CA C 111 55.800 56.535 -0.735 1 1 1354 . 16 1 1 A 111 111 ASN CB C 111 38.200 38.126 0.074 1 1 1355 . 16 1 1 A 111 111 ASN N N 111 122.350 119.367 2.983 1 1 1357 . 16 1 1 A 112 112 LEU H H 112 7.480 7.503 -0.023 1 1 1358 . 16 1 1 A 112 112 LEU HA H 112 4.210 4.215 -0.005 1 1 1368 . 16 1 1 A 112 112 LEU C C 112 178.710 176.905 1.805 1 1 1369 . 16 1 1 A 112 112 LEU CA C 112 55.100 55.355 -0.255 1 1 1370 . 16 1 1 A 112 112 LEU CB C 112 42.500 42.516 -0.016 1 1 1374 . 16 1 1 A 112 112 LEU N N 112 118.300 116.998 1.302 1 1 1375 . 16 1 1 A 113 113 GLY H H 113 7.740 7.922 -0.182 1 1 1376 . 16 1 1 A 113 113 GLY HA2 H 113 3.580 3.936 -0.356 1 1 1377 . 16 1 1 A 113 113 GLY HA3 H 113 4.140 3.942 0.198 1 1 1378 . 16 1 1 A 113 113 GLY C C 113 176.830 174.865 1.965 1 1 1379 . 16 1 1 A 113 113 GLY CA C 113 45.370 46.292 -0.922 1 1 1380 . 16 1 1 A 113 113 GLY N N 113 106.500 108.206 -1.706 1 1 1381 . 16 1 1 A 114 114 GLU H H 114 7.780 8.193 -0.413 1 1 1382 . 16 1 1 A 114 114 GLU HA H 114 4.240 4.372 -0.132 1 1 1387 . 16 1 1 A 114 114 GLU C C 114 176.790 175.921 0.869 1 1 1388 . 16 1 1 A 114 114 GLU CA C 114 54.800 56.549 -1.749 1 1 1389 . 16 1 1 A 114 114 GLU CB C 114 29.900 30.370 -0.470 1 1 1391 . 16 1 1 A 114 114 GLU N N 114 119.300 118.832 0.468 1 1 1392 . 16 1 1 A 115 115 LYS H H 115 8.540 7.834 0.706 1 1 1393 . 16 1 1 A 115 115 LYS HA H 115 4.270 3.771 0.499 1 1 1402 . 16 1 1 A 115 115 LYS C C 115 174.300 175.667 -1.367 1 1 1403 . 16 1 1 A 115 115 LYS CA C 115 55.500 57.093 -1.593 1 1 1404 . 16 1 1 A 115 115 LYS CB C 115 31.900 30.195 1.705 1 1 1408 . 16 1 1 A 115 115 LYS N N 115 125.000 116.607 8.393 1 1 1409 . 16 1 1 A 116 116 LEU H H 116 8.000 7.937 0.063 1 1 1410 . 16 1 1 A 116 116 LEU HA H 116 4.630 4.334 0.296 1 1 1420 . 16 1 1 A 116 116 LEU C C 116 175.060 177.905 -2.845 1 1 1421 . 16 1 1 A 116 116 LEU CA C 116 54.100 54.742 -0.642 1 1 1422 . 16 1 1 A 116 116 LEU CB C 116 44.100 42.661 1.439 1 1 1426 . 16 1 1 A 116 116 LEU N N 116 123.620 120.164 3.456 1 1 1427 . 16 1 1 A 117 117 THR H H 117 9.140 8.767 0.373 1 1 1428 . 16 1 1 A 117 117 THR HA H 117 4.340 4.629 -0.289 1 1 1433 . 16 1 1 A 117 117 THR C C 117 175.610 175.578 0.032 1 1 1434 . 16 1 1 A 117 117 THR CA C 117 60.500 60.597 -0.097 1 1 1435 . 16 1 1 A 117 117 THR CB C 117 71.100 71.416 -0.316 1 1 1437 . 16 1 1 A 117 117 THR N N 117 114.240 114.979 -0.739 1 1 1438 . 16 1 1 A 118 118 ASP H H 118 8.820 8.930 -0.110 1 1 1439 . 16 1 1 A 118 118 ASP HA H 118 4.100 4.283 -0.183 1 1 1442 . 16 1 1 A 118 118 ASP C C 118 178.610 178.358 0.252 1 1 1443 . 16 1 1 A 118 118 ASP CA C 118 58.000 58.140 -0.140 1 1 1444 . 16 1 1 A 118 118 ASP CB C 118 39.700 40.304 -0.604 1 1 1445 . 16 1 1 A 118 118 ASP N N 118 120.660 121.944 -1.284 1 1 1446 . 16 1 1 A 119 119 GLU H H 119 8.450 8.104 0.346 1 1 1447 . 16 1 1 A 119 119 GLU HA H 119 3.960 4.023 -0.063 1 1 1452 . 16 1 1 A 119 119 GLU C C 119 175.620 179.383 -3.763 1 1 1453 . 16 1 1 A 119 119 GLU CA C 119 59.800 59.589 0.211 1 1 1454 . 16 1 1 A 119 119 GLU CB C 119 29.400 29.231 0.169 1 1 1456 . 16 1 1 A 119 119 GLU N N 119 118.790 119.781 -0.991 1 1 1457 . 16 1 1 A 120 120 GLU H H 120 7.570 7.612 -0.042 1 1 1458 . 16 1 1 A 120 120 GLU HA H 120 3.950 4.166 -0.216 1 1 1463 . 16 1 1 A 120 120 GLU C C 120 178.630 178.963 -0.333 1 1 1464 . 16 1 1 A 120 120 GLU CA C 120 59.600 58.456 1.144 1 1 1465 . 16 1 1 A 120 120 GLU CB C 120 29.400 29.030 0.370 1 1 1467 . 16 1 1 A 120 120 GLU N N 120 120.120 119.293 0.827 1 1 1468 . 16 1 1 A 121 121 VAL H H 121 7.750 8.176 -0.426 1 1 1469 . 16 1 1 A 121 121 VAL HA H 121 3.240 3.547 -0.307 1 1 1477 . 16 1 1 A 121 121 VAL C C 121 179.110 177.506 1.604 1 1 1478 . 16 1 1 A 121 121 VAL CA C 121 67.300 66.326 0.974 1 1 1479 . 16 1 1 A 121 121 VAL CB C 121 31.550 31.580 -0.030 1 1 1482 . 16 1 1 A 121 121 VAL N N 121 119.400 121.428 -2.028 1 1 1483 . 16 1 1 A 122 122 ASP H H 122 7.840 8.090 -0.250 1 1 1484 . 16 1 1 A 122 122 ASP HA H 122 4.260 4.370 -0.110 1 1 1487 . 16 1 1 A 122 122 ASP C C 122 178.890 178.672 0.218 1 1 1488 . 16 1 1 A 122 122 ASP CA C 122 57.700 57.213 0.487 1 1 1489 . 16 1 1 A 122 122 ASP CB C 122 40.200 40.179 0.021 1 1 1490 . 16 1 1 A 122 122 ASP N N 122 118.550 119.564 -1.014 1 1 1491 . 16 1 1 A 123 123 GLU H H 123 8.110 8.287 -0.177 1 1 1492 . 16 1 1 A 123 123 GLU HA H 123 3.880 4.043 -0.163 1 1 1497 . 16 1 1 A 123 123 GLU C C 123 177.710 178.991 -1.281 1 1 1498 . 16 1 1 A 123 123 GLU CA C 123 59.600 59.377 0.223 1 1 1499 . 16 1 1 A 123 123 GLU CB C 123 29.400 29.246 0.154 1 1 1501 . 16 1 1 A 123 123 GLU N N 123 119.670 119.782 -0.112 1 1 1502 . 16 1 1 A 124 124 MET H H 124 8.000 8.121 -0.121 1 1 1503 . 16 1 1 A 124 124 MET HA H 124 3.700 4.205 -0.505 1 1 1511 . 16 1 1 A 124 124 MET C C 124 179.020 178.887 0.133 1 1 1512 . 16 1 1 A 124 124 MET CA C 124 60.700 59.020 1.680 1 1 1513 . 16 1 1 A 124 124 MET CB C 124 33.200 32.924 0.276 1 1 1516 . 16 1 1 A 124 124 MET N N 124 118.100 118.758 -0.658 1 1 1517 . 16 1 1 A 125 125 ILE H H 125 8.220 7.813 0.407 1 1 1518 . 16 1 1 A 125 125 ILE HA H 125 3.610 3.620 -0.010 1 1 1528 . 16 1 1 A 125 125 ILE C C 125 179.410 177.935 1.475 1 1 1529 . 16 1 1 A 125 125 ILE CA C 125 64.200 64.971 -0.771 1 1 1530 . 16 1 1 A 125 125 ILE CB C 125 36.000 37.792 -1.792 1 1 1534 . 16 1 1 A 125 125 ILE N N 125 121.400 119.559 1.841 1 1 1535 . 16 1 1 A 126 126 ARG H H 126 8.510 7.966 0.544 1 1 1536 . 16 1 1 A 126 126 ARG HA H 126 3.930 3.901 0.029 1 1 1543 . 16 1 1 A 126 126 ARG C C 126 178.070 178.730 -0.660 1 1 1544 . 16 1 1 A 126 126 ARG CA C 126 59.500 59.723 -0.223 1 1 1545 . 16 1 1 A 126 126 ARG CB C 126 30.300 29.605 0.695 1 1 1548 . 16 1 1 A 126 126 ARG N N 126 117.650 120.169 -2.519 1 1 1549 . 16 1 1 A 127 127 GLU H H 127 7.820 8.180 -0.360 1 1 1550 . 16 1 1 A 127 127 GLU HA H 127 3.880 4.030 -0.150 1 1 1555 . 16 1 1 A 127 127 GLU C C 127 180.080 178.201 1.879 1 1 1556 . 16 1 1 A 127 127 GLU CA C 127 58.300 59.447 -1.147 1 1 1557 . 16 1 1 A 127 127 GLU CB C 127 29.800 29.248 0.552 1 1 1559 . 16 1 1 A 127 127 GLU N N 127 115.300 118.669 -3.369 1 1 1560 . 16 1 1 A 128 128 ALA H H 128 6.960 7.227 -0.267 1 1 1561 . 16 1 1 A 128 128 ALA HA H 128 4.340 4.359 -0.019 1 1 1565 . 16 1 1 A 128 128 ALA C C 128 181.640 177.174 4.466 1 1 1566 . 16 1 1 A 128 128 ALA CA C 128 51.700 52.168 -0.468 1 1 1567 . 16 1 1 A 128 128 ALA CB C 128 22.400 20.139 2.261 1 1 1568 . 16 1 1 A 128 128 ALA N N 128 115.890 121.080 -5.190 1 1 1569 . 16 1 1 A 129 129 ASP H H 129 8.210 7.839 0.371 1 1 1570 . 16 1 1 A 129 129 ASP HA H 129 4.360 4.783 -0.423 1 1 1573 . 16 1 1 A 129 129 ASP C C 129 176.420 177.004 -0.584 1 1 1574 . 16 1 1 A 129 129 ASP CA C 129 54.300 53.952 0.348 1 1 1575 . 16 1 1 A 129 129 ASP CB C 129 40.400 40.411 -0.011 1 1 1576 . 16 1 1 A 129 129 ASP N N 129 117.100 118.580 -1.480 1 1 1577 . 16 1 1 A 130 130 ILE H H 130 8.250 8.514 -0.264 1 1 1578 . 16 1 1 A 130 130 ILE HA H 130 3.800 4.069 -0.269 1 1 1588 . 16 1 1 A 130 130 ILE C C 130 177.960 175.217 2.743 1 1 1589 . 16 1 1 A 130 130 ILE CA C 130 63.500 62.774 0.726 1 1 1590 . 16 1 1 A 130 130 ILE CB C 130 38.500 38.018 0.482 1 1 1594 . 16 1 1 A 130 130 ILE N N 130 127.900 122.319 5.581 1 1 1595 . 16 1 1 A 131 131 ASP H H 131 8.220 7.582 0.638 1 1 1596 . 16 1 1 A 131 131 ASP HA H 131 4.400 5.001 -0.601 1 1 1599 . 16 1 1 A 131 131 ASP C C 131 175.850 175.913 -0.063 1 1 1600 . 16 1 1 A 131 131 ASP CA C 131 53.800 52.266 1.534 1 1 1601 . 16 1 1 A 131 131 ASP CB C 131 39.900 43.871 -3.971 1 1 1602 . 16 1 1 A 131 131 ASP N N 131 116.250 119.621 -3.371 1 1 1603 . 16 1 1 A 132 132 GLY H H 132 7.520 9.091 -1.571 1 1 1604 . 16 1 1 A 132 132 GLY HA2 H 132 3.700 3.891 -0.191 1 1 1605 . 16 1 1 A 132 132 GLY HA3 H 132 3.900 3.894 0.006 1 1 1606 . 16 1 1 A 132 132 GLY C C 132 177.820 175.053 2.767 1 1 1607 . 16 1 1 A 132 132 GLY CA C 132 47.400 47.219 0.181 1 1 1608 . 16 1 1 A 132 132 GLY N N 132 108.170 107.631 0.539 1 1 1609 . 16 1 1 A 133 133 ASP H H 133 8.240 8.258 -0.018 1 1 1610 . 16 1 1 A 133 133 ASP HA H 133 4.360 4.549 -0.189 1 1 1613 . 16 1 1 A 133 133 ASP C C 133 178.290 177.570 0.720 1 1 1614 . 16 1 1 A 133 133 ASP CA C 133 53.800 53.478 0.322 1 1 1615 . 16 1 1 A 133 133 ASP CB C 133 40.300 40.311 -0.011 1 1 1616 . 16 1 1 A 133 133 ASP N N 133 120.370 120.081 0.289 1 1 1617 . 16 1 1 A 134 134 GLY H H 134 10.140 9.481 0.659 1 1 1618 . 16 1 1 A 134 134 GLY HA2 H 134 3.300 3.826 -0.526 1 1 1619 . 16 1 1 A 134 134 GLY HA3 H 134 3.930 3.836 0.094 1 1 1620 . 16 1 1 A 134 134 GLY C C 134 175.350 173.235 2.115 1 1 1621 . 16 1 1 A 134 134 GLY CA C 134 45.900 45.622 0.278 1 1 1622 . 16 1 1 A 134 134 GLY N N 134 112.150 111.069 1.081 1 1 1623 . 16 1 1 A 135 135 GLN H H 135 7.910 7.835 0.075 1 1 1624 . 16 1 1 A 135 135 GLN HA H 135 4.870 4.987 -0.117 1 1 1631 . 16 1 1 A 135 135 GLN C C 135 177.620 174.509 3.111 1 1 1632 . 16 1 1 A 135 135 GLN CA C 135 53.300 53.648 -0.348 1 1 1633 . 16 1 1 A 135 135 GLN CB C 135 33.000 32.613 0.387 1 1 1635 . 16 1 1 A 135 135 GLN N N 135 114.700 118.520 -3.820 1 1 1637 . 16 1 1 A 136 136 VAL H H 136 9.070 8.796 0.274 1 1 1638 . 16 1 1 A 136 136 VAL HA H 136 5.110 5.212 -0.102 1 1 1646 . 16 1 1 A 136 136 VAL C C 136 172.750 175.804 -3.054 1 1 1647 . 16 1 1 A 136 136 VAL CA C 136 61.800 61.709 0.091 1 1 1648 . 16 1 1 A 136 136 VAL CB C 136 34.100 33.064 1.036 1 1 1651 . 16 1 1 A 136 136 VAL N N 136 124.900 122.428 2.472 1 1 1652 . 16 1 1 A 137 137 ASN H H 137 9.450 9.063 0.387 1 1 1653 . 16 1 1 A 137 137 ASN HA H 137 5.240 5.286 -0.046 1 1 1658 . 16 1 1 A 137 137 ASN CA C 137 51.400 52.831 -1.431 1 1 1659 . 16 1 1 A 137 137 ASN CB C 137 40.000 39.581 0.419 1 1 1660 . 16 1 1 A 137 137 ASN N N 137 128.840 126.044 2.796 1 1 1662 . 16 1 1 A 138 138 TYR H H 138 8.330 8.948 -0.618 1 1 1663 . 16 1 1 A 138 138 TYR HA H 138 3.240 4.295 -1.055 1 1 1670 . 16 1 1 A 138 138 TYR C C 138 180.030 177.196 2.834 1 1 1671 . 16 1 1 A 138 138 TYR CA C 138 62.400 62.386 0.014 1 1 1672 . 16 1 1 A 138 138 TYR CB C 138 38.000 38.463 -0.463 1 1 1677 . 16 1 1 A 138 138 TYR N N 138 118.150 123.593 -5.443 1 1 1678 . 16 1 1 A 139 139 GLU H H 139 7.990 8.216 -0.226 1 1 1679 . 16 1 1 A 139 139 GLU HA H 139 3.520 3.804 -0.284 1 1 1684 . 16 1 1 A 139 139 GLU C C 139 179.170 179.214 -0.044 1 1 1685 . 16 1 1 A 139 139 GLU CA C 139 60.550 60.264 0.286 1 1 1686 . 16 1 1 A 139 139 GLU CB C 139 29.100 29.600 -0.500 1 1 1688 . 16 1 1 A 139 139 GLU N N 139 118.100 117.736 0.364 1 1 1689 . 16 1 1 A 140 140 GLU H H 140 8.640 8.119 0.521 1 1 1690 . 16 1 1 A 140 140 GLU HA H 140 3.780 4.081 -0.301 1 1 1695 . 16 1 1 A 140 140 GLU C C 140 181.440 179.044 2.396 1 1 1696 . 16 1 1 A 140 140 GLU CA C 140 58.800 59.090 -0.290 1 1 1697 . 16 1 1 A 140 140 GLU CB C 140 29.200 29.737 -0.537 1 1 1699 . 16 1 1 A 140 140 GLU N N 140 119.300 120.463 -1.163 1 1 1700 . 16 1 1 A 141 141 PHE H H 141 8.470 8.052 0.418 1 1 1701 . 16 1 1 A 141 141 PHE HA H 141 3.380 3.926 -0.546 1 1 1709 . 16 1 1 A 141 141 PHE C C 141 178.980 176.778 2.202 1 1 1710 . 16 1 1 A 141 141 PHE CA C 141 61.900 61.298 0.602 1 1 1711 . 16 1 1 A 141 141 PHE CB C 141 40.200 39.272 0.928 1 1 1717 . 16 1 1 A 141 141 PHE N N 141 123.640 121.796 1.844 1 1 1718 . 16 1 1 A 142 142 VAL H H 142 8.510 8.072 0.438 1 1 1719 . 16 1 1 A 142 142 VAL HA H 142 3.000 3.350 -0.350 1 1 1727 . 16 1 1 A 142 142 VAL C C 142 176.540 177.628 -1.088 1 1 1728 . 16 1 1 A 142 142 VAL CA C 142 66.900 66.390 0.510 1 1 1729 . 16 1 1 A 142 142 VAL CB C 142 31.450 31.343 0.107 1 1 1732 . 16 1 1 A 142 142 VAL N N 142 118.330 118.940 -0.610 1 1 1733 . 16 1 1 A 143 143 GLN H H 143 7.520 8.166 -0.646 1 1 1734 . 16 1 1 A 143 143 GLN HA H 143 3.750 3.926 -0.176 1 1 1741 . 16 1 1 A 143 143 GLN C C 143 176.630 178.226 -1.596 1 1 1742 . 16 1 1 A 143 143 GLN CA C 143 58.900 59.238 -0.338 1 1 1743 . 16 1 1 A 143 143 GLN CB C 143 28.200 28.207 -0.007 1 1 1745 . 16 1 1 A 143 143 GLN N N 143 118.100 119.356 -1.256 1 1 1747 . 16 1 1 A 144 144 MET H H 144 7.250 7.973 -0.723 1 1 1748 . 16 1 1 A 144 144 MET HA H 144 4.090 4.203 -0.113 1 1 1756 . 16 1 1 A 144 144 MET C C 144 179.340 178.795 0.545 1 1 1757 . 16 1 1 A 144 144 MET CA C 144 56.750 57.458 -0.708 1 1 1758 . 16 1 1 A 144 144 MET CB C 144 30.800 32.590 -1.790 1 1 1761 . 16 1 1 A 144 144 MET N N 144 117.300 117.840 -0.540 1 1 1762 . 16 1 1 A 145 145 MET H H 145 7.460 7.740 -0.280 1 1 1763 . 16 1 1 A 145 145 MET HA H 145 3.900 4.061 -0.161 1 1 1771 . 16 1 1 A 145 145 MET C C 145 178.110 177.377 0.733 1 1 1772 . 16 1 1 A 145 145 MET CA C 145 56.800 58.045 -1.245 1 1 1773 . 16 1 1 A 145 145 MET CB C 145 31.800 33.761 -1.961 1 1 1776 . 16 1 1 A 145 145 MET N N 145 114.350 118.446 -4.096 1 1 1777 . 16 1 1 A 146 146 THR H H 146 7.560 8.403 -0.843 1 1 1778 . 16 1 1 A 146 146 THR HA H 146 4.220 4.466 -0.246 1 1 1783 . 16 1 1 A 146 146 THR C C 146 177.440 175.217 2.223 1 1 1784 . 16 1 1 A 146 146 THR CA C 146 62.650 61.153 1.497 1 1 1785 . 16 1 1 A 146 146 THR CB C 146 69.700 69.053 0.647 1 1 1787 . 16 1 1 A 146 146 THR N N 146 109.350 108.963 0.387 1 1 1788 . 16 1 1 A 147 147 ALA H H 147 7.420 7.966 -0.546 1 1 1789 . 16 1 1 A 147 147 ALA HA H 147 4.170 3.972 0.198 1 1 1793 . 16 1 1 A 147 147 ALA C C 147 177.480 177.797 -0.317 1 1 1794 . 16 1 1 A 147 147 ALA CA C 147 52.900 55.230 -2.330 1 1 1795 . 16 1 1 A 147 147 ALA CB C 147 19.200 18.907 0.293 1 1 1796 . 16 1 1 A 147 147 ALA N N 147 125.650 125.710 -0.060 1 1 1814 . 16 2 2 B 1 1 ARG H H 1088 8.270 8.024 0.246 1 1 1815 . 16 2 2 B 1 1 ARG HA H 1088 3.860 4.168 -0.308 1 1 1822 . 16 2 2 B 1 1 ARG CA C 1088 59.900 58.182 1.718 1 1 1823 . 16 2 2 B 1 1 ARG CB C 1088 29.900 30.291 -0.391 1 1 1826 . 16 2 2 B 1 1 ARG N N 1088 117.300 120.492 -3.192 1 1 1827 . 16 2 2 B 2 2 GLY H H 1089 9.370 8.319 1.051 1 1 1828 . 16 2 2 B 2 2 GLY HA2 H 1089 3.520 4.022 -0.502 1 1 1829 . 16 2 2 B 2 2 GLY HA3 H 1089 3.730 4.034 -0.304 1 1 1830 . 16 2 2 B 2 2 GLY C C 1089 176.650 175.728 0.922 1 1 1831 . 16 2 2 B 2 2 GLY CA C 1089 47.200 46.375 0.825 1 1 1832 . 16 2 2 B 2 2 GLY N N 1089 105.000 107.413 -2.413 1 1 1833 . 16 2 2 B 3 3 GLN H H 1090 6.980 7.958 -0.978 1 1 1834 . 16 2 2 B 3 3 GLN HA H 1090 3.830 4.331 -0.501 1 1 1841 . 16 2 2 B 3 3 GLN C C 1090 177.680 178.738 -1.058 1 1 1842 . 16 2 2 B 3 3 GLN CA C 1090 59.100 58.798 0.302 1 1 1843 . 16 2 2 B 3 3 GLN CB C 1090 29.800 28.336 1.464 1 1 1845 . 16 2 2 B 3 3 GLN N N 1090 117.350 119.527 -2.177 1 1 1847 . 16 2 2 B 4 4 ILE H H 1091 7.760 7.687 0.073 1 1 1848 . 16 2 2 B 4 4 ILE HA H 1091 3.480 3.817 -0.337 1 1 1858 . 16 2 2 B 4 4 ILE C C 1091 175.070 178.371 -3.301 1 1 1859 . 16 2 2 B 4 4 ILE CA C 1091 65.600 65.298 0.302 1 1 1860 . 16 2 2 B 4 4 ILE CB C 1091 38.000 38.036 -0.036 1 1 1864 . 16 2 2 B 4 4 ILE N N 1091 119.650 121.224 -1.574 1 1 1865 . 16 2 2 B 5 5 LEU H H 1092 7.830 8.346 -0.516 1 1 1866 . 16 2 2 B 5 5 LEU HA H 1092 3.820 3.921 -0.101 1 1 1876 . 16 2 2 B 5 5 LEU C C 1092 176.220 179.135 -2.915 1 1 1877 . 16 2 2 B 5 5 LEU CA C 1092 58.250 58.386 -0.136 1 1 1878 . 16 2 2 B 5 5 LEU CB C 1092 41.700 41.739 -0.039 1 1 1882 . 16 2 2 B 5 5 LEU N N 1092 119.200 118.924 0.276 1 1 1883 . 16 2 2 B 6 6 TRP H H 1093 7.650 8.269 -0.619 1 1 1884 . 16 2 2 B 6 6 TRP HA H 1093 4.120 4.326 -0.206 1 1 1893 . 16 2 2 B 6 6 TRP C C 1093 178.490 179.016 -0.526 1 1 1894 . 16 2 2 B 6 6 TRP CA C 1093 61.100 60.143 0.957 1 1 1895 . 16 2 2 B 6 6 TRP CB C 1093 30.000 29.425 0.575 1 1 1901 . 16 2 2 B 6 6 TRP N N 1093 119.200 118.892 0.308 1 1 1903 . 16 2 2 B 7 7 PHE H H 1094 8.400 8.645 -0.245 1 1 1904 . 16 2 2 B 7 7 PHE HA H 1094 4.390 4.208 0.182 1 1 1912 . 16 2 2 B 7 7 PHE C C 1094 178.840 177.995 0.845 1 1 1913 . 16 2 2 B 7 7 PHE CA C 1094 59.700 62.464 -2.764 1 1 1914 . 16 2 2 B 7 7 PHE CB C 1094 37.000 38.516 -1.516 1 1 1919 . 16 2 2 B 7 7 PHE N N 1094 117.800 117.972 -0.172 1 1 1920 . 16 2 2 B 8 8 ARG H H 1095 8.360 8.210 0.150 1 1 1921 . 16 2 2 B 8 8 ARG HA H 1095 4.140 4.078 0.062 1 1 1928 . 16 2 2 B 8 8 ARG C C 1095 178.290 179.099 -0.809 1 1 1929 . 16 2 2 B 8 8 ARG CA C 1095 59.600 59.769 -0.169 1 1 1930 . 16 2 2 B 8 8 ARG CB C 1095 30.500 30.231 0.269 1 1 1933 . 16 2 2 B 8 8 ARG N N 1095 120.800 120.061 0.739 1 1 1934 . 16 2 2 B 9 9 GLY H H 1096 8.330 8.288 0.042 1 1 1935 . 16 2 2 B 9 9 GLY HA2 H 1096 3.560 3.643 -0.083 1 1 1936 . 16 2 2 B 9 9 GLY HA3 H 1096 3.720 3.673 0.047 1 1 1937 . 16 2 2 B 9 9 GLY C C 1096 178.010 175.655 2.355 1 1 1938 . 16 2 2 B 9 9 GLY CA C 1096 47.200 47.331 -0.131 1 1 1939 . 16 2 2 B 9 9 GLY N N 1096 106.400 107.220 -0.820 1 1 1940 . 16 2 2 B 10 10 LEU H H 1097 9.090 8.096 0.994 1 1 1941 . 16 2 2 B 10 10 LEU HA H 1097 4.150 4.012 0.138 1 1 1951 . 16 2 2 B 10 10 LEU C C 1097 178.820 178.506 0.314 1 1 1952 . 16 2 2 B 10 10 LEU CA C 1097 58.500 57.366 1.134 1 1 1953 . 16 2 2 B 10 10 LEU CB C 1097 41.600 41.242 0.358 1 1 1957 . 16 2 2 B 10 10 LEU N N 1097 120.900 122.726 -1.826 1 1 1958 . 16 2 2 B 11 11 ASN H H 1098 8.380 8.524 -0.144 1 1 1959 . 16 2 2 B 11 11 ASN HA H 1098 4.440 4.492 -0.052 1 1 1964 . 16 2 2 B 11 11 ASN CA C 1098 56.700 56.633 0.067 1 1 1965 . 16 2 2 B 11 11 ASN CB C 1098 38.700 37.880 0.820 1 1 1966 . 16 2 2 B 11 11 ASN N N 1098 116.900 116.218 0.682 1 1 1968 . 16 2 2 B 12 12 ARG H H 1099 7.900 7.673 0.227 1 1 1969 . 16 2 2 B 12 12 ARG HA H 1099 3.980 4.096 -0.116 1 1 1976 . 16 2 2 B 12 12 ARG C C 1099 178.360 178.309 0.051 1 1 1977 . 16 2 2 B 12 12 ARG CA C 1099 60.200 59.176 1.024 1 1 1978 . 16 2 2 B 12 12 ARG CB C 1099 32.600 30.032 2.568 1 1 1981 . 16 2 2 B 12 12 ARG N N 1099 120.100 119.176 0.924 1 1 1982 . 16 2 2 B 13 13 ILE H H 1100 8.230 8.120 0.110 1 1 1983 . 16 2 2 B 13 13 ILE HA H 1100 3.840 3.658 0.182 1 1 1993 . 16 2 2 B 13 13 ILE C C 1100 178.110 177.944 0.166 1 1 1994 . 16 2 2 B 13 13 ILE CA C 1100 63.800 65.456 -1.656 1 1 1995 . 16 2 2 B 13 13 ILE CB C 1100 37.300 37.512 -0.212 1 1 1999 . 16 2 2 B 13 13 ILE N N 1100 120.350 120.966 -0.616 1 1 2000 . 16 2 2 B 14 14 GLN H H 1101 8.830 7.855 0.975 1 1 2001 . 16 2 2 B 14 14 GLN HA H 1101 3.990 3.948 0.042 1 1 2008 . 16 2 2 B 14 14 GLN C C 1101 177.860 178.831 -0.971 1 1 2009 . 16 2 2 B 14 14 GLN CA C 1101 60.000 59.112 0.888 1 1 2010 . 16 2 2 B 14 14 GLN CB C 1101 28.800 28.390 0.410 1 1 2012 . 16 2 2 B 14 14 GLN N N 1101 118.700 118.062 0.638 1 1 2014 . 16 2 2 B 15 15 THR H H 1102 8.140 7.675 0.465 1 1 2015 . 16 2 2 B 15 15 THR HA H 1102 3.890 3.802 0.088 1 1 2020 . 16 2 2 B 15 15 THR C C 1102 177.470 176.575 0.895 1 1 2021 . 16 2 2 B 15 15 THR CA C 1102 67.400 67.409 -0.009 1 1 2022 . 16 2 2 B 15 15 THR CB C 1102 70.300 68.551 1.749 1 1 2024 . 16 2 2 B 15 15 THR N N 1102 117.500 117.509 -0.009 1 1 2025 . 16 2 2 B 16 16 GLN H H 1103 8.320 8.410 -0.090 1 1 2026 . 16 2 2 B 16 16 GLN HA H 1103 4.100 3.949 0.151 1 1 2033 . 16 2 2 B 16 16 GLN C C 1103 178.890 178.522 0.368 1 1 2034 . 16 2 2 B 16 16 GLN CA C 1103 60.600 59.265 1.335 1 1 2035 . 16 2 2 B 16 16 GLN CB C 1103 30.500 28.412 2.088 1 1 2037 . 16 2 2 B 16 16 GLN N N 1103 120.650 119.159 1.491 1 1 2039 . 16 2 2 B 17 17 ILE H H 1104 8.690 7.384 1.306 1 1 2040 . 16 2 2 B 17 17 ILE HA H 1104 3.470 3.999 -0.529 1 1 2050 . 16 2 2 B 17 17 ILE C C 1104 175.230 177.938 -2.708 1 1 2051 . 16 2 2 B 17 17 ILE CA C 1104 66.150 62.159 3.991 1 1 2052 . 16 2 2 B 17 17 ILE CB C 1104 38.300 38.052 0.248 1 1 2056 . 16 2 2 B 17 17 ILE N N 1104 119.400 120.198 -0.798 1 1 2057 . 16 2 2 B 18 18 LYS H H 1105 7.950 8.818 -0.868 1 1 2058 . 16 2 2 B 18 18 LYS HA H 1105 3.900 3.999 -0.099 1 1 2067 . 16 2 2 B 18 18 LYS C C 1105 177.660 178.652 -0.992 1 1 2068 . 16 2 2 B 18 18 LYS CA C 1105 60.050 59.822 0.228 1 1 2069 . 16 2 2 B 18 18 LYS CB C 1105 32.700 32.229 0.471 1 1 2073 . 16 2 2 B 18 18 LYS N N 1105 120.280 123.318 -3.038 1 1 2074 . 16 2 2 B 19 19 VAL H H 1106 8.280 7.650 0.630 1 1 2075 . 16 2 2 B 19 19 VAL HA H 1106 3.430 3.763 -0.333 1 1 2083 . 16 2 2 B 19 19 VAL C C 1106 177.660 178.355 -0.695 1 1 2084 . 16 2 2 B 19 19 VAL CA C 1106 65.900 66.557 -0.657 1 1 2085 . 16 2 2 B 19 19 VAL CB C 1106 31.400 31.679 -0.279 1 1 2088 . 16 2 2 B 19 19 VAL N N 1106 120.660 119.298 1.362 1 1 2089 . 16 2 2 B 20 20 VAL H H 1107 8.420 8.028 0.392 1 1 2090 . 16 2 2 B 20 20 VAL HA H 1107 3.580 3.868 -0.288 1 1 2098 . 16 2 2 B 20 20 VAL C C 1107 178.930 178.326 0.604 1 1 2099 . 16 2 2 B 20 20 VAL CA C 1107 68.390 65.920 2.470 1 1 2100 . 16 2 2 B 20 20 VAL CB C 1107 31.200 31.446 -0.246 1 1 2103 . 16 2 2 B 20 20 VAL N N 1107 119.990 116.539 3.451 1 1 2104 . 16 2 2 B 21 21 LYS H H 1108 8.300 8.188 0.112 1 1 2105 . 16 2 2 B 21 21 LYS HA H 1108 4.050 4.130 -0.080 1 1 2114 . 16 2 2 B 21 21 LYS C C 1108 177.230 179.017 -1.787 1 1 2115 . 16 2 2 B 21 21 LYS CA C 1108 59.980 59.742 0.238 1 1 2116 . 16 2 2 B 21 21 LYS CB C 1108 32.400 32.189 0.211 1 1 2120 . 16 2 2 B 21 21 LYS N N 1108 119.290 122.134 -2.844 1 1 2121 . 16 2 2 B 22 22 ALA H H 1109 7.690 8.060 -0.370 1 1 2122 . 16 2 2 B 22 22 ALA HA H 1109 3.900 4.183 -0.283 1 1 2126 . 16 2 2 B 22 22 ALA C C 1109 178.200 179.790 -1.590 1 1 2127 . 16 2 2 B 22 22 ALA CA C 1109 54.950 55.080 -0.130 1 1 2128 . 16 2 2 B 22 22 ALA CB C 1109 22.000 18.628 3.372 1 1 2129 . 16 2 2 B 22 22 ALA N N 1109 123.910 122.162 1.748 1 1 2130 . 16 2 2 B 23 23 PHE H H 1110 7.920 8.304 -0.384 1 1 2131 . 16 2 2 B 23 23 PHE HA H 1110 4.120 4.254 -0.134 1 1 2139 . 16 2 2 B 23 23 PHE C C 1110 178.840 178.291 0.549 1 1 2140 . 16 2 2 B 23 23 PHE CA C 1110 61.260 60.483 0.777 1 1 2141 . 16 2 2 B 23 23 PHE CB C 1110 40.200 38.958 1.242 1 1 2147 . 16 2 2 B 23 23 PHE N N 1110 118.200 115.602 2.598 1 1 2148 . 16 2 2 B 24 24 HIS H H 1111 7.960 7.442 0.518 1 1 2149 . 16 2 2 B 24 24 HIS HA H 1111 4.530 4.392 0.138 1 1 2155 . 16 2 2 B 24 24 HIS C C 1111 178.710 175.172 3.538 1 1 2156 . 16 2 2 B 24 24 HIS CA C 1111 57.200 60.106 -2.906 1 1 2157 . 16 2 2 B 24 24 HIS CB C 1111 30.200 29.772 0.428 1 1 2160 . 16 2 2 B 24 24 HIS N N 1111 117.760 117.525 0.235 1 1 2162 . 16 2 2 B 25 25 SER H H 1112 7.980 8.642 -0.662 1 1 2163 . 16 2 2 B 25 25 SER HA H 1112 4.340 4.028 0.312 1 1 2166 . 16 2 2 B 25 25 SER C C 1112 177.230 173.549 3.681 1 1 2167 . 16 2 2 B 25 25 SER CA C 1112 58.570 59.268 -0.698 1 1 2168 . 16 2 2 B 25 25 SER CB C 1112 63.800 61.878 1.922 1 1 2169 . 16 2 2 B 25 25 SER N N 1112 116.970 114.519 2.451 1 1 9 . 17 1 1 A 2 2 ASP H H 2 8.220 8.159 0.061 1 1 10 . 17 1 1 A 2 2 ASP HA H 2 4.500 4.377 0.123 1 1 13 . 17 1 1 A 2 2 ASP CA C 2 54.750 57.395 -2.645 1 1 14 . 17 1 1 A 2 2 ASP CB C 2 41.350 41.483 -0.133 1 1 15 . 17 1 1 A 2 2 ASP N N 2 121.760 117.796 3.964 1 1 16 . 17 1 1 A 3 3 GLN H H 3 8.320 7.933 0.387 1 1 17 . 17 1 1 A 3 3 GLN HA H 3 4.240 4.680 -0.440 1 1 24 . 17 1 1 A 3 3 GLN CA C 3 55.750 54.701 1.049 1 1 25 . 17 1 1 A 3 3 GLN CB C 3 29.700 31.004 -1.304 1 1 27 . 17 1 1 A 3 3 GLN N N 3 119.800 117.368 2.432 1 1 29 . 17 1 1 A 4 4 LEU H H 4 8.250 8.674 -0.424 1 1 30 . 17 1 1 A 4 4 LEU HA H 4 4.540 4.425 0.115 1 1 40 . 17 1 1 A 4 4 LEU C C 4 175.740 176.470 -0.730 1 1 41 . 17 1 1 A 4 4 LEU CA C 4 54.600 55.153 -0.553 1 1 42 . 17 1 1 A 4 4 LEU CB C 4 43.600 45.016 -1.416 1 1 46 . 17 1 1 A 4 4 LEU N N 4 123.100 121.561 1.539 1 1 47 . 17 1 1 A 5 5 THR H H 5 8.680 7.747 0.933 1 1 48 . 17 1 1 A 5 5 THR HA H 5 4.350 4.358 -0.008 1 1 53 . 17 1 1 A 5 5 THR C C 5 175.750 175.630 0.120 1 1 54 . 17 1 1 A 5 5 THR CA C 5 60.500 61.474 -0.974 1 1 55 . 17 1 1 A 5 5 THR CB C 5 71.100 70.178 0.922 1 1 57 . 17 1 1 A 5 5 THR N N 5 112.700 112.067 0.633 1 1 58 . 17 1 1 A 6 6 GLU H H 6 8.950 8.982 -0.032 1 1 59 . 17 1 1 A 6 6 GLU HA H 6 3.880 4.018 -0.138 1 1 64 . 17 1 1 A 6 6 GLU C C 6 177.790 178.426 -0.636 1 1 65 . 17 1 1 A 6 6 GLU CA C 6 60.200 59.619 0.581 1 1 66 . 17 1 1 A 6 6 GLU CB C 6 29.300 29.153 0.147 1 1 68 . 17 1 1 A 6 6 GLU N N 6 119.950 122.942 -2.992 1 1 69 . 17 1 1 A 7 7 GLU H H 7 8.660 8.118 0.542 1 1 70 . 17 1 1 A 7 7 GLU HA H 7 3.940 3.992 -0.052 1 1 75 . 17 1 1 A 7 7 GLU C C 7 175.460 179.164 -3.704 1 1 76 . 17 1 1 A 7 7 GLU CA C 7 60.200 59.589 0.611 1 1 77 . 17 1 1 A 7 7 GLU CB C 7 29.100 29.314 -0.214 1 1 79 . 17 1 1 A 7 7 GLU N N 7 119.250 119.632 -0.382 1 1 80 . 17 1 1 A 8 8 GLN H H 8 7.670 7.791 -0.121 1 1 81 . 17 1 1 A 8 8 GLN HA H 8 3.760 4.093 -0.333 1 1 88 . 17 1 1 A 8 8 GLN C C 8 179.600 178.742 0.858 1 1 89 . 17 1 1 A 8 8 GLN CA C 8 58.800 58.598 0.202 1 1 90 . 17 1 1 A 8 8 GLN CB C 8 29.300 28.308 0.992 1 1 92 . 17 1 1 A 8 8 GLN N N 8 120.000 118.937 1.063 1 1 94 . 17 1 1 A 9 9 ILE H H 9 8.280 8.470 -0.190 1 1 95 . 17 1 1 A 9 9 ILE HA H 9 3.580 3.911 -0.331 1 1 105 . 17 1 1 A 9 9 ILE C C 9 179.270 177.900 1.370 1 1 106 . 17 1 1 A 9 9 ILE CA C 9 66.400 65.726 0.674 1 1 107 . 17 1 1 A 9 9 ILE CB C 9 38.100 38.072 0.028 1 1 111 . 17 1 1 A 9 9 ILE N N 9 119.400 120.029 -0.629 1 1 112 . 17 1 1 A 10 10 ALA H H 10 7.950 8.362 -0.412 1 1 113 . 17 1 1 A 10 10 ALA HA H 10 4.020 4.003 0.017 1 1 117 . 17 1 1 A 10 10 ALA C C 10 178.490 179.947 -1.457 1 1 118 . 17 1 1 A 10 10 ALA CA C 10 55.400 55.826 -0.426 1 1 119 . 17 1 1 A 10 10 ALA CB C 10 17.950 18.314 -0.364 1 1 120 . 17 1 1 A 10 10 ALA N N 10 121.000 122.282 -1.282 1 1 121 . 17 1 1 A 11 11 GLU H H 11 7.730 7.986 -0.256 1 1 122 . 17 1 1 A 11 11 GLU HA H 11 4.030 3.978 0.052 1 1 127 . 17 1 1 A 11 11 GLU C C 11 177.860 179.419 -1.559 1 1 128 . 17 1 1 A 11 11 GLU CA C 11 59.500 59.410 0.090 1 1 129 . 17 1 1 A 11 11 GLU CB C 11 29.500 29.605 -0.105 1 1 131 . 17 1 1 A 11 11 GLU N N 11 119.700 118.319 1.381 1 1 132 . 17 1 1 A 12 12 PHE H H 12 8.470 8.187 0.283 1 1 133 . 17 1 1 A 12 12 PHE HA H 12 4.910 4.365 0.545 1 1 141 . 17 1 1 A 12 12 PHE C C 12 181.140 178.070 3.070 1 1 142 . 17 1 1 A 12 12 PHE CA C 12 59.200 61.762 -2.562 1 1 143 . 17 1 1 A 12 12 PHE CB C 12 37.700 38.641 -0.941 1 1 149 . 17 1 1 A 12 12 PHE N N 12 119.900 119.430 0.470 1 1 150 . 17 1 1 A 13 13 LYS H H 13 9.180 8.427 0.753 1 1 151 . 17 1 1 A 13 13 LYS HA H 13 3.860 3.835 0.025 1 1 160 . 17 1 1 A 13 13 LYS C C 13 180.730 178.628 2.102 1 1 161 . 17 1 1 A 13 13 LYS CA C 13 60.300 59.948 0.352 1 1 162 . 17 1 1 A 13 13 LYS CB C 13 31.900 32.657 -0.757 1 1 166 . 17 1 1 A 13 13 LYS N N 13 124.000 120.387 3.613 1 1 167 . 17 1 1 A 14 14 GLU H H 14 7.770 8.017 -0.247 1 1 168 . 17 1 1 A 14 14 GLU HA H 14 4.050 4.048 0.002 1 1 173 . 17 1 1 A 14 14 GLU C C 14 178.750 179.158 -0.408 1 1 174 . 17 1 1 A 14 14 GLU CA C 14 59.300 59.456 -0.156 1 1 175 . 17 1 1 A 14 14 GLU CB C 14 29.300 29.290 0.010 1 1 177 . 17 1 1 A 14 14 GLU N N 14 120.060 118.171 1.889 1 1 178 . 17 1 1 A 15 15 ALA H H 15 8.020 7.696 0.324 1 1 179 . 17 1 1 A 15 15 ALA HA H 15 4.110 4.178 -0.068 1 1 183 . 17 1 1 A 15 15 ALA C C 15 179.220 179.936 -0.716 1 1 184 . 17 1 1 A 15 15 ALA CA C 15 55.900 54.956 0.944 1 1 185 . 17 1 1 A 15 15 ALA CB C 15 18.430 18.062 0.368 1 1 186 . 17 1 1 A 15 15 ALA N N 15 121.660 122.566 -0.906 1 1 187 . 17 1 1 A 16 16 PHE H H 16 8.700 8.048 0.652 1 1 188 . 17 1 1 A 16 16 PHE HA H 16 3.190 3.574 -0.384 1 1 196 . 17 1 1 A 16 16 PHE C C 16 176.350 178.424 -2.074 1 1 197 . 17 1 1 A 16 16 PHE CA C 16 62.300 59.433 2.867 1 1 198 . 17 1 1 A 16 16 PHE CB C 16 39.800 37.898 1.902 1 1 204 . 17 1 1 A 16 16 PHE N N 16 118.400 116.420 1.980 1 1 205 . 17 1 1 A 17 17 SER H H 17 8.040 7.821 0.219 1 1 206 . 17 1 1 A 17 17 SER HA H 17 4.110 4.108 0.002 1 1 209 . 17 1 1 A 17 17 SER C C 17 178.820 176.584 2.236 1 1 210 . 17 1 1 A 17 17 SER CA C 17 61.600 61.494 0.106 1 1 211 . 17 1 1 A 17 17 SER CB C 17 63.200 62.854 0.346 1 1 212 . 17 1 1 A 17 17 SER N N 17 114.290 116.520 -2.230 1 1 213 . 17 1 1 A 18 18 LEU H H 18 7.440 7.761 -0.321 1 1 214 . 17 1 1 A 18 18 LEU HA H 18 3.970 3.978 -0.008 1 1 224 . 17 1 1 A 18 18 LEU C C 18 178.630 178.300 0.330 1 1 225 . 17 1 1 A 18 18 LEU CA C 18 56.800 57.862 -1.062 1 1 226 . 17 1 1 A 18 18 LEU CB C 18 42.600 41.785 0.815 1 1 230 . 17 1 1 A 18 18 LEU N N 18 118.200 124.526 -6.326 1 1 231 . 17 1 1 A 19 19 PHE H H 19 7.330 6.338 0.992 1 1 232 . 17 1 1 A 19 19 PHE HA H 19 3.950 4.630 -0.680 1 1 240 . 17 1 1 A 19 19 PHE C C 19 174.460 175.356 -0.896 1 1 241 . 17 1 1 A 19 19 PHE CA C 19 59.300 57.084 2.216 1 1 242 . 17 1 1 A 19 19 PHE CB C 19 41.800 39.670 2.130 1 1 248 . 17 1 1 A 19 19 PHE N N 19 114.900 113.462 1.438 1 1 249 . 17 1 1 A 20 20 ASP H H 20 7.780 6.930 0.850 1 1 250 . 17 1 1 A 20 20 ASP HA H 20 4.480 5.103 -0.623 1 1 253 . 17 1 1 A 20 20 ASP C C 20 176.700 175.908 0.792 1 1 254 . 17 1 1 A 20 20 ASP CA C 20 52.400 53.496 -1.096 1 1 255 . 17 1 1 A 20 20 ASP CB C 20 39.400 39.266 0.134 1 1 256 . 17 1 1 A 20 20 ASP N N 20 117.700 122.227 -4.527 1 1 257 . 17 1 1 A 21 21 LYS H H 21 7.480 8.208 -0.728 1 1 258 . 17 1 1 A 21 21 LYS HA H 21 3.840 3.952 -0.112 1 1 267 . 17 1 1 A 21 21 LYS C C 21 175.550 177.326 -1.776 1 1 268 . 17 1 1 A 21 21 LYS CA C 21 58.300 59.374 -1.074 1 1 269 . 17 1 1 A 21 21 LYS CB C 21 32.600 32.511 0.089 1 1 273 . 17 1 1 A 21 21 LYS N N 21 124.200 126.014 -1.814 1 1 274 . 17 1 1 A 22 22 ASP H H 22 7.910 7.952 -0.042 1 1 275 . 17 1 1 A 22 22 ASP HA H 22 4.460 4.638 -0.178 1 1 278 . 17 1 1 A 22 22 ASP C C 22 176.920 177.722 -0.802 1 1 279 . 17 1 1 A 22 22 ASP CA C 22 53.400 53.084 0.316 1 1 280 . 17 1 1 A 22 22 ASP CB C 22 39.800 39.798 0.002 1 1 281 . 17 1 1 A 22 22 ASP N N 22 113.500 115.267 -1.767 1 1 282 . 17 1 1 A 23 23 GLY H H 23 7.540 7.996 -0.456 1 1 283 . 17 1 1 A 23 23 GLY HA2 H 23 3.730 3.873 -0.143 1 1 284 . 17 1 1 A 23 23 GLY HA3 H 23 3.730 3.874 -0.144 1 1 285 . 17 1 1 A 23 23 GLY C C 23 178.030 175.127 2.903 1 1 286 . 17 1 1 A 23 23 GLY CA C 23 47.400 47.214 0.186 1 1 287 . 17 1 1 A 23 23 GLY N N 23 109.200 108.955 0.245 1 1 288 . 17 1 1 A 24 24 ASP H H 24 8.430 7.940 0.490 1 1 289 . 17 1 1 A 24 24 ASP HA H 24 4.410 4.584 -0.174 1 1 292 . 17 1 1 A 24 24 ASP C C 24 177.580 177.585 -0.005 1 1 293 . 17 1 1 A 24 24 ASP CA C 24 53.770 53.587 0.183 1 1 294 . 17 1 1 A 24 24 ASP CB C 24 40.200 40.281 -0.081 1 1 295 . 17 1 1 A 24 24 ASP N N 24 120.700 120.550 0.150 1 1 296 . 17 1 1 A 25 25 GLY H H 25 10.370 9.665 0.705 1 1 297 . 17 1 1 A 25 25 GLY HA2 H 25 4.240 3.988 0.252 1 1 298 . 17 1 1 A 25 25 GLY HA3 H 25 3.610 4.007 -0.397 1 1 299 . 17 1 1 A 25 25 GLY C C 25 175.160 173.533 1.627 1 1 300 . 17 1 1 A 25 25 GLY CA C 25 45.300 45.271 0.029 1 1 301 . 17 1 1 A 25 25 GLY N N 25 112.100 112.290 -0.190 1 1 302 . 17 1 1 A 26 26 THR H H 26 8.060 7.719 0.341 1 1 303 . 17 1 1 A 26 26 THR HA H 26 5.430 4.975 0.455 1 1 308 . 17 1 1 A 26 26 THR C C 26 177.260 172.527 4.733 1 1 309 . 17 1 1 A 26 26 THR CA C 26 59.500 60.181 -0.681 1 1 310 . 17 1 1 A 26 26 THR CB C 26 72.800 71.596 1.204 1 1 312 . 17 1 1 A 26 26 THR N N 26 110.950 113.535 -2.585 1 1 313 . 17 1 1 A 27 27 ILE H H 27 9.890 8.604 1.286 1 1 314 . 17 1 1 A 27 27 ILE HA H 27 4.680 5.077 -0.397 1 1 324 . 17 1 1 A 27 27 ILE C C 27 173.810 175.653 -1.843 1 1 325 . 17 1 1 A 27 27 ILE CA C 27 61.250 60.473 0.777 1 1 326 . 17 1 1 A 27 27 ILE CB C 27 40.700 38.556 2.144 1 1 330 . 17 1 1 A 27 27 ILE N N 27 125.400 125.548 -0.148 1 1 331 . 17 1 1 A 28 28 THR H H 28 8.290 9.154 -0.864 1 1 332 . 17 1 1 A 28 28 THR HA H 28 4.680 4.936 -0.256 1 1 337 . 17 1 1 A 28 28 THR C C 28 173.550 176.180 -2.630 1 1 338 . 17 1 1 A 28 28 THR CA C 28 59.200 59.505 -0.305 1 1 339 . 17 1 1 A 28 28 THR CB C 28 72.600 72.064 0.536 1 1 341 . 17 1 1 A 28 28 THR N N 28 116.000 117.810 -1.810 1 1 342 . 17 1 1 A 29 29 THR H H 29 9.180 8.876 0.304 1 1 343 . 17 1 1 A 29 29 THR HA H 29 3.570 3.873 -0.303 1 1 348 . 17 1 1 A 29 29 THR C C 29 176.080 176.887 -0.807 1 1 349 . 17 1 1 A 29 29 THR CA C 29 66.100 66.635 -0.535 1 1 350 . 17 1 1 A 29 29 THR CB C 29 67.650 68.311 -0.661 1 1 352 . 17 1 1 A 29 29 THR N N 29 111.440 114.972 -3.532 1 1 353 . 17 1 1 A 30 30 LYS H H 30 7.340 8.176 -0.836 1 1 354 . 17 1 1 A 30 30 LYS HA H 30 3.960 3.964 -0.004 1 1 363 . 17 1 1 A 30 30 LYS C C 30 176.660 179.141 -2.481 1 1 364 . 17 1 1 A 30 30 LYS CA C 30 59.100 59.729 -0.629 1 1 365 . 17 1 1 A 30 30 LYS CB C 30 32.700 32.266 0.434 1 1 369 . 17 1 1 A 30 30 LYS N N 30 120.350 121.635 -1.285 1 1 370 . 17 1 1 A 31 31 GLU H H 31 7.760 8.313 -0.553 1 1 371 . 17 1 1 A 31 31 GLU HA H 31 4.000 4.113 -0.113 1 1 376 . 17 1 1 A 31 31 GLU C C 31 177.230 179.044 -1.814 1 1 377 . 17 1 1 A 31 31 GLU CA C 31 59.600 59.001 0.599 1 1 378 . 17 1 1 A 31 31 GLU CB C 31 29.600 28.279 1.321 1 1 380 . 17 1 1 A 31 31 GLU N N 31 122.300 117.641 4.659 1 1 381 . 17 1 1 A 32 32 LEU H H 32 8.370 8.071 0.299 1 1 382 . 17 1 1 A 32 32 LEU HA H 32 4.060 3.865 0.195 1 1 392 . 17 1 1 A 32 32 LEU C C 32 179.400 178.703 0.697 1 1 393 . 17 1 1 A 32 32 LEU CA C 32 57.550 57.868 -0.318 1 1 394 . 17 1 1 A 32 32 LEU CB C 32 41.700 41.970 -0.270 1 1 398 . 17 1 1 A 32 32 LEU N N 32 120.100 123.173 -3.073 1 1 399 . 17 1 1 A 33 33 GLY H H 33 8.650 7.973 0.677 1 1 400 . 17 1 1 A 33 33 GLY HA2 H 33 3.450 3.796 -0.346 1 1 401 . 17 1 1 A 33 33 GLY HA3 H 33 3.800 3.797 0.003 1 1 402 . 17 1 1 A 33 33 GLY C C 33 179.640 176.159 3.481 1 1 403 . 17 1 1 A 33 33 GLY CA C 33 48.300 47.861 0.439 1 1 404 . 17 1 1 A 33 33 GLY N N 33 105.700 106.146 -0.446 1 1 405 . 17 1 1 A 34 34 THR H H 34 8.070 7.730 0.340 1 1 406 . 17 1 1 A 34 34 THR HA H 34 3.790 4.023 -0.233 1 1 411 . 17 1 1 A 34 34 THR C C 34 178.670 176.159 2.511 1 1 412 . 17 1 1 A 34 34 THR CA C 34 67.300 66.892 0.408 1 1 413 . 17 1 1 A 34 34 THR CB C 34 68.700 68.636 0.064 1 1 415 . 17 1 1 A 34 34 THR N N 34 118.140 118.554 -0.414 1 1 416 . 17 1 1 A 35 35 VAL H H 35 7.510 7.771 -0.261 1 1 417 . 17 1 1 A 35 35 VAL HA H 35 3.480 3.572 -0.092 1 1 425 . 17 1 1 A 35 35 VAL C C 35 175.050 177.650 -2.600 1 1 426 . 17 1 1 A 35 35 VAL CA C 35 66.500 66.699 -0.199 1 1 427 . 17 1 1 A 35 35 VAL CB C 35 31.400 31.243 0.157 1 1 430 . 17 1 1 A 35 35 VAL N N 35 121.400 121.994 -0.594 1 1 431 . 17 1 1 A 36 36 MET H H 36 8.530 7.927 0.603 1 1 432 . 17 1 1 A 36 36 MET HA H 36 3.590 4.112 -0.522 1 1 440 . 17 1 1 A 36 36 MET C C 36 177.410 177.947 -0.537 1 1 441 . 17 1 1 A 36 36 MET CA C 36 61.900 58.515 3.385 1 1 442 . 17 1 1 A 36 36 MET CB C 36 32.600 31.485 1.115 1 1 445 . 17 1 1 A 36 36 MET N N 36 118.970 118.328 0.642 1 1 446 . 17 1 1 A 37 37 ARG H H 37 8.600 8.234 0.366 1 1 447 . 17 1 1 A 37 37 ARG HA H 37 4.720 4.161 0.559 1 1 454 . 17 1 1 A 37 37 ARG C C 37 179.250 178.873 0.377 1 1 455 . 17 1 1 A 37 37 ARG CA C 37 59.450 59.352 0.098 1 1 456 . 17 1 1 A 37 37 ARG CB C 37 30.200 30.100 0.100 1 1 459 . 17 1 1 A 37 37 ARG N N 37 118.400 120.290 -1.890 1 1 460 . 17 1 1 A 38 38 SER H H 38 7.830 8.114 -0.284 1 1 461 . 17 1 1 A 38 38 SER HA H 38 4.240 4.324 -0.084 1 1 464 . 17 1 1 A 38 38 SER C C 38 178.480 176.361 2.119 1 1 465 . 17 1 1 A 38 38 SER CA C 38 62.100 61.303 0.797 1 1 466 . 17 1 1 A 38 38 SER CB C 38 63.400 62.895 0.505 1 1 467 . 17 1 1 A 38 38 SER N N 38 119.400 115.311 4.089 1 1 468 . 17 1 1 A 39 39 LEU H H 39 7.280 8.406 -1.126 1 1 469 . 17 1 1 A 39 39 LEU HA H 39 4.360 4.405 -0.045 1 1 479 . 17 1 1 A 39 39 LEU C C 39 178.240 176.884 1.356 1 1 480 . 17 1 1 A 39 39 LEU CA C 39 54.300 55.643 -1.343 1 1 481 . 17 1 1 A 39 39 LEU CB C 39 42.100 42.438 -0.338 1 1 485 . 17 1 1 A 39 39 LEU N N 39 119.950 123.212 -3.262 1 1 486 . 17 1 1 A 40 40 GLY H H 40 7.740 8.845 -1.105 1 1 487 . 17 1 1 A 40 40 GLY HA2 H 40 4.140 3.921 0.219 1 1 488 . 17 1 1 A 40 40 GLY HA3 H 40 3.650 3.943 -0.293 1 1 489 . 17 1 1 A 40 40 GLY C C 40 176.140 173.559 2.581 1 1 490 . 17 1 1 A 40 40 GLY CA C 40 45.300 45.925 -0.625 1 1 491 . 17 1 1 A 40 40 GLY N N 40 105.750 107.891 -2.141 1 1 492 . 17 1 1 A 41 41 GLN H H 41 7.710 7.904 -0.194 1 1 493 . 17 1 1 A 41 41 GLN HA H 41 4.360 4.914 -0.554 1 1 500 . 17 1 1 A 41 41 GLN C C 41 176.700 174.126 2.574 1 1 501 . 17 1 1 A 41 41 GLN CA C 41 54.900 53.820 1.080 1 1 502 . 17 1 1 A 41 41 GLN CB C 41 29.600 32.854 -3.254 1 1 504 . 17 1 1 A 41 41 GLN N N 41 118.400 118.901 -0.501 1 1 506 . 17 1 1 A 42 42 ASN H H 42 8.640 8.744 -0.104 1 1 507 . 17 1 1 A 42 42 ASN HA H 42 5.150 5.284 -0.134 1 1 512 . 17 1 1 A 42 42 ASN CA C 42 51.200 51.158 0.042 1 1 513 . 17 1 1 A 42 42 ASN CB C 42 39.500 39.216 0.284 1 1 514 . 17 1 1 A 42 42 ASN N N 42 115.610 118.470 -2.860 1 1 516 . 17 1 1 A 43 43 PRO HA H 43 4.540 4.520 0.020 1 1 523 . 17 1 1 A 43 43 PRO C C 43 179.440 176.490 2.950 1 1 524 . 17 1 1 A 43 43 PRO CA C 43 62.450 62.972 -0.522 1 1 525 . 17 1 1 A 43 43 PRO CB C 43 31.500 31.858 -0.358 1 1 528 . 17 1 1 A 44 44 THR H H 44 8.660 8.456 0.204 1 1 529 . 17 1 1 A 44 44 THR HA H 44 4.340 4.559 -0.219 1 1 534 . 17 1 1 A 44 44 THR CA C 44 60.450 61.704 -1.254 1 1 535 . 17 1 1 A 44 44 THR CB C 44 71.400 69.525 1.875 1 1 537 . 17 1 1 A 44 44 THR N N 44 112.600 116.880 -4.280 1 1 538 . 17 1 1 A 45 45 GLU H H 45 8.720 9.051 -0.331 1 1 539 . 17 1 1 A 45 45 GLU HA H 45 3.870 4.058 -0.188 1 1 544 . 17 1 1 A 45 45 GLU C C 45 174.270 178.585 -4.315 1 1 545 . 17 1 1 A 45 45 GLU CA C 45 59.900 59.339 0.561 1 1 546 . 17 1 1 A 45 45 GLU CB C 45 29.200 29.149 0.051 1 1 548 . 17 1 1 A 45 45 GLU N N 45 120.150 124.192 -4.042 1 1 549 . 17 1 1 A 46 46 ALA H H 46 8.200 8.370 -0.170 1 1 550 . 17 1 1 A 46 46 ALA HA H 46 3.980 4.037 -0.057 1 1 554 . 17 1 1 A 46 46 ALA C C 46 175.180 180.027 -4.847 1 1 555 . 17 1 1 A 46 46 ALA CA C 46 55.100 54.860 0.240 1 1 556 . 17 1 1 A 46 46 ALA CB C 46 18.300 18.227 0.073 1 1 557 . 17 1 1 A 46 46 ALA N N 46 120.450 122.014 -1.564 1 1 558 . 17 1 1 A 47 47 GLU H H 47 7.630 7.823 -0.193 1 1 559 . 17 1 1 A 47 47 GLU HA H 47 3.890 4.129 -0.239 1 1 564 . 17 1 1 A 47 47 GLU C C 47 179.020 179.090 -0.070 1 1 565 . 17 1 1 A 47 47 GLU CA C 47 59.500 58.753 0.747 1 1 566 . 17 1 1 A 47 47 GLU CB C 47 29.600 29.441 0.159 1 1 568 . 17 1 1 A 47 47 GLU N N 47 118.320 118.481 -0.161 1 1 569 . 17 1 1 A 48 48 LEU H H 48 7.880 8.236 -0.356 1 1 570 . 17 1 1 A 48 48 LEU HA H 48 3.790 3.964 -0.174 1 1 580 . 17 1 1 A 48 48 LEU C C 48 180.200 179.866 0.334 1 1 581 . 17 1 1 A 48 48 LEU CA C 48 58.150 57.917 0.233 1 1 582 . 17 1 1 A 48 48 LEU CB C 48 42.800 41.742 1.058 1 1 586 . 17 1 1 A 48 48 LEU N N 48 119.000 120.243 -1.243 1 1 587 . 17 1 1 A 49 49 GLN H H 49 8.080 8.280 -0.200 1 1 588 . 17 1 1 A 49 49 GLN HA H 49 3.630 4.009 -0.379 1 1 595 . 17 1 1 A 49 49 GLN C C 49 177.680 177.577 0.103 1 1 596 . 17 1 1 A 49 49 GLN CA C 49 58.600 58.907 -0.307 1 1 597 . 17 1 1 A 49 49 GLN CB C 49 28.500 28.530 -0.030 1 1 599 . 17 1 1 A 49 49 GLN N N 49 117.400 118.800 -1.400 1 1 601 . 17 1 1 A 50 50 ASP H H 50 7.960 8.221 -0.261 1 1 602 . 17 1 1 A 50 50 ASP HA H 50 4.300 4.294 0.006 1 1 605 . 17 1 1 A 50 50 ASP C C 50 178.470 178.546 -0.076 1 1 606 . 17 1 1 A 50 50 ASP CA C 50 57.700 57.799 -0.099 1 1 607 . 17 1 1 A 50 50 ASP CB C 50 40.600 41.792 -1.192 1 1 608 . 17 1 1 A 50 50 ASP N N 50 119.050 119.544 -0.494 1 1 609 . 17 1 1 A 51 51 MET H H 51 7.750 8.274 -0.524 1 1 610 . 17 1 1 A 51 51 MET HA H 51 4.000 4.175 -0.175 1 1 618 . 17 1 1 A 51 51 MET C C 51 178.170 178.719 -0.549 1 1 619 . 17 1 1 A 51 51 MET CA C 51 59.500 58.578 0.922 1 1 620 . 17 1 1 A 51 51 MET CB C 51 34.700 32.983 1.717 1 1 623 . 17 1 1 A 51 51 MET N N 51 117.900 117.891 0.009 1 1 624 . 17 1 1 A 52 52 ILE H H 52 7.580 7.910 -0.330 1 1 625 . 17 1 1 A 52 52 ILE HA H 52 3.620 3.501 0.119 1 1 635 . 17 1 1 A 52 52 ILE C C 52 178.690 177.827 0.863 1 1 636 . 17 1 1 A 52 52 ILE CA C 52 63.600 65.347 -1.747 1 1 637 . 17 1 1 A 52 52 ILE CB C 52 36.700 37.872 -1.172 1 1 641 . 17 1 1 A 52 52 ILE N N 52 116.850 119.128 -2.278 1 1 642 . 17 1 1 A 53 53 ASN H H 53 8.570 8.451 0.119 1 1 643 . 17 1 1 A 53 53 ASN HA H 53 4.310 4.450 -0.140 1 1 648 . 17 1 1 A 53 53 ASN CA C 53 56.400 56.499 -0.099 1 1 649 . 17 1 1 A 53 53 ASN CB C 53 38.300 37.798 0.502 1 1 650 . 17 1 1 A 53 53 ASN N N 53 116.900 117.983 -1.083 1 1 652 . 17 1 1 A 54 54 GLU H H 54 7.520 7.821 -0.301 1 1 653 . 17 1 1 A 54 54 GLU HA H 54 3.950 4.096 -0.146 1 1 658 . 17 1 1 A 54 54 GLU C C 54 178.070 178.524 -0.454 1 1 659 . 17 1 1 A 54 54 GLU CA C 54 59.000 58.944 0.056 1 1 660 . 17 1 1 A 54 54 GLU CB C 54 29.800 29.591 0.209 1 1 662 . 17 1 1 A 54 54 GLU N N 54 115.650 119.506 -3.856 1 1 663 . 17 1 1 A 55 55 VAL H H 55 7.020 7.152 -0.132 1 1 664 . 17 1 1 A 55 55 VAL HA H 55 4.110 4.024 0.086 1 1 672 . 17 1 1 A 55 55 VAL C C 55 177.890 176.183 1.707 1 1 673 . 17 1 1 A 55 55 VAL CA C 55 61.210 64.355 -3.145 1 1 674 . 17 1 1 A 55 55 VAL CB C 55 33.100 32.035 1.065 1 1 677 . 17 1 1 A 55 55 VAL N N 55 111.500 119.356 -7.856 1 1 678 . 17 1 1 A 56 56 ASP H H 56 7.460 7.831 -0.371 1 1 679 . 17 1 1 A 56 56 ASP HA H 56 4.360 4.632 -0.272 1 1 682 . 17 1 1 A 56 56 ASP C C 56 177.620 176.613 1.007 1 1 683 . 17 1 1 A 56 56 ASP CA C 56 53.550 53.634 -0.084 1 1 684 . 17 1 1 A 56 56 ASP CB C 56 40.600 40.486 0.114 1 1 685 . 17 1 1 A 56 56 ASP N N 56 121.330 121.947 -0.617 1 1 686 . 17 1 1 A 57 57 ALA H H 57 7.780 8.285 -0.505 1 1 687 . 17 1 1 A 57 57 ALA HA H 57 4.080 4.079 0.001 1 1 691 . 17 1 1 A 57 57 ALA C C 57 175.320 178.392 -3.072 1 1 692 . 17 1 1 A 57 57 ALA CA C 57 55.000 55.033 -0.033 1 1 693 . 17 1 1 A 57 57 ALA CB C 57 19.800 18.540 1.260 1 1 694 . 17 1 1 A 57 57 ALA N N 57 130.400 128.109 2.291 1 1 695 . 17 1 1 A 58 58 ASP H H 58 8.140 8.017 0.123 1 1 696 . 17 1 1 A 58 58 ASP HA H 58 4.540 4.571 -0.031 1 1 699 . 17 1 1 A 58 58 ASP C C 58 176.130 177.505 -1.375 1 1 700 . 17 1 1 A 58 58 ASP CA C 58 52.950 53.218 -0.268 1 1 701 . 17 1 1 A 58 58 ASP CB C 58 40.100 40.003 0.097 1 1 702 . 17 1 1 A 58 58 ASP N N 58 113.200 113.157 0.043 1 1 703 . 17 1 1 A 59 59 GLY H H 59 7.530 7.637 -0.107 1 1 704 . 17 1 1 A 59 59 GLY HA2 H 59 3.700 3.911 -0.211 1 1 705 . 17 1 1 A 59 59 GLY HA3 H 59 3.820 3.913 -0.093 1 1 706 . 17 1 1 A 59 59 GLY C C 59 178.830 175.283 3.547 1 1 707 . 17 1 1 A 59 59 GLY CA C 59 47.450 46.968 0.482 1 1 708 . 17 1 1 A 59 59 GLY N N 59 108.180 109.274 -1.094 1 1 709 . 17 1 1 A 60 60 ASN H H 60 8.080 8.556 -0.476 1 1 710 . 17 1 1 A 60 60 ASN HA H 60 4.500 4.680 -0.180 1 1 715 . 17 1 1 A 60 60 ASN CA C 60 52.900 52.606 0.294 1 1 716 . 17 1 1 A 60 60 ASN CB C 60 37.900 37.864 0.036 1 1 717 . 17 1 1 A 60 60 ASN N N 60 118.700 118.526 0.174 1 1 719 . 17 1 1 A 61 61 GLY H H 61 10.640 10.197 0.443 1 1 720 . 17 1 1 A 61 61 GLY HA2 H 61 3.370 3.889 -0.519 1 1 721 . 17 1 1 A 61 61 GLY HA3 H 61 4.190 3.892 0.298 1 1 722 . 17 1 1 A 61 61 GLY C C 61 174.970 173.447 1.523 1 1 723 . 17 1 1 A 61 61 GLY CA C 61 45.300 45.365 -0.065 1 1 724 . 17 1 1 A 61 61 GLY N N 61 113.400 112.045 1.355 1 1 725 . 17 1 1 A 62 62 THR H H 62 7.550 7.720 -0.170 1 1 726 . 17 1 1 A 62 62 THR HA H 62 4.620 4.939 -0.319 1 1 731 . 17 1 1 A 62 62 THR C C 62 176.870 172.686 4.184 1 1 732 . 17 1 1 A 62 62 THR CA C 62 59.550 59.694 -0.144 1 1 733 . 17 1 1 A 62 62 THR CB C 62 72.500 72.660 -0.160 1 1 735 . 17 1 1 A 62 62 THR N N 62 107.860 109.802 -1.942 1 1 736 . 17 1 1 A 63 63 ILE H H 63 8.790 8.523 0.267 1 1 737 . 17 1 1 A 63 63 ILE HA H 63 5.280 5.014 0.266 1 1 747 . 17 1 1 A 63 63 ILE C C 63 173.250 174.629 -1.379 1 1 748 . 17 1 1 A 63 63 ILE CA C 63 57.600 59.804 -2.204 1 1 749 . 17 1 1 A 63 63 ILE CB C 63 39.400 39.816 -0.416 1 1 753 . 17 1 1 A 63 63 ILE N N 63 123.900 121.433 2.467 1 1 754 . 17 1 1 A 64 64 ASP H H 64 8.720 8.831 -0.111 1 1 755 . 17 1 1 A 64 64 ASP HA H 64 5.350 4.950 0.400 1 1 758 . 17 1 1 A 64 64 ASP C C 64 172.850 176.868 -4.018 1 1 759 . 17 1 1 A 64 64 ASP CA C 64 52.100 51.791 0.309 1 1 760 . 17 1 1 A 64 64 ASP CB C 64 42.150 43.481 -1.331 1 1 761 . 17 1 1 A 64 64 ASP N N 64 127.860 128.280 -0.420 1 1 762 . 17 1 1 A 65 65 PHE H H 65 8.840 9.202 -0.362 1 1 763 . 17 1 1 A 65 65 PHE HA H 65 3.890 4.810 -0.920 1 1 771 . 17 1 1 A 65 65 PHE C C 65 175.750 174.471 1.279 1 1 772 . 17 1 1 A 65 65 PHE CA C 65 63.300 63.743 -0.443 1 1 773 . 17 1 1 A 65 65 PHE CB C 65 36.100 37.309 -1.209 1 1 779 . 17 1 1 A 65 65 PHE N N 65 117.500 125.122 -7.622 1 1 780 . 17 1 1 A 66 66 PRO HA H 66 3.770 4.320 -0.550 1 1 787 . 17 1 1 A 66 66 PRO C C 66 175.840 179.292 -3.452 1 1 788 . 17 1 1 A 66 66 PRO CA C 66 67.100 66.395 0.705 1 1 789 . 17 1 1 A 66 66 PRO CB C 66 30.700 30.916 -0.216 1 1 792 . 17 1 1 A 67 67 GLU H H 67 8.340 8.778 -0.438 1 1 793 . 17 1 1 A 67 67 GLU HA H 67 3.920 4.115 -0.195 1 1 798 . 17 1 1 A 67 67 GLU CA C 67 59.400 59.150 0.250 1 1 799 . 17 1 1 A 67 67 GLU CB C 67 29.650 29.124 0.526 1 1 801 . 17 1 1 A 67 67 GLU N N 67 117.850 117.781 0.069 1 1 802 . 17 1 1 A 68 68 PHE H H 68 8.630 8.247 0.383 1 1 803 . 17 1 1 A 68 68 PHE HA H 68 3.670 4.120 -0.450 1 1 811 . 17 1 1 A 68 68 PHE C C 68 174.810 177.432 -2.622 1 1 812 . 17 1 1 A 68 68 PHE CA C 68 61.400 61.283 0.117 1 1 813 . 17 1 1 A 68 68 PHE CB C 68 40.700 39.273 1.427 1 1 819 . 17 1 1 A 68 68 PHE N N 68 123.200 123.366 -0.166 1 1 820 . 17 1 1 A 69 69 LEU H H 69 8.800 8.632 0.168 1 1 821 . 17 1 1 A 69 69 LEU HA H 69 3.130 3.838 -0.708 1 1 831 . 17 1 1 A 69 69 LEU C C 69 179.310 179.003 0.307 1 1 832 . 17 1 1 A 69 69 LEU CA C 69 58.000 58.132 -0.132 1 1 833 . 17 1 1 A 69 69 LEU CB C 69 41.550 41.639 -0.089 1 1 837 . 17 1 1 A 69 69 LEU N N 69 119.930 120.052 -0.122 1 1 838 . 17 1 1 A 70 70 THR H H 70 7.550 7.648 -0.098 1 1 839 . 17 1 1 A 70 70 THR HA H 70 3.530 3.784 -0.254 1 1 844 . 17 1 1 A 70 70 THR C C 70 180.360 176.697 3.663 1 1 845 . 17 1 1 A 70 70 THR CA C 70 66.700 66.861 -0.161 1 1 846 . 17 1 1 A 70 70 THR CB C 70 68.500 68.166 0.334 1 1 848 . 17 1 1 A 70 70 THR N N 70 114.730 114.734 -0.004 1 1 849 . 17 1 1 A 71 71 MET H H 71 7.000 7.974 -0.974 1 1 850 . 17 1 1 A 71 71 MET HA H 71 3.640 4.126 -0.486 1 1 858 . 17 1 1 A 71 71 MET C C 71 176.750 178.396 -1.646 1 1 859 . 17 1 1 A 71 71 MET CA C 71 58.800 58.041 0.759 1 1 860 . 17 1 1 A 71 71 MET CB C 71 32.000 32.353 -0.353 1 1 863 . 17 1 1 A 71 71 MET N N 71 119.750 118.333 1.417 1 1 864 . 17 1 1 A 72 72 MET H H 72 7.810 7.903 -0.093 1 1 865 . 17 1 1 A 72 72 MET HA H 72 3.880 4.142 -0.262 1 1 873 . 17 1 1 A 72 72 MET C C 72 174.850 178.298 -3.448 1 1 874 . 17 1 1 A 72 72 MET CA C 72 55.100 59.022 -3.922 1 1 875 . 17 1 1 A 72 72 MET CB C 72 28.900 32.981 -4.081 1 1 878 . 17 1 1 A 72 72 MET N N 72 115.300 118.504 -3.204 1 1 879 . 17 1 1 A 73 73 ALA H H 73 7.880 8.159 -0.279 1 1 880 . 17 1 1 A 73 73 ALA HA H 73 3.990 3.983 0.007 1 1 884 . 17 1 1 A 73 73 ALA C C 73 177.940 179.261 -1.321 1 1 885 . 17 1 1 A 73 73 ALA CA C 73 53.900 55.358 -1.458 1 1 886 . 17 1 1 A 73 73 ALA CB C 73 18.600 18.213 0.387 1 1 887 . 17 1 1 A 73 73 ALA N N 73 120.000 120.958 -0.958 1 1 888 . 17 1 1 A 74 74 ARG H H 74 7.050 7.584 -0.534 1 1 889 . 17 1 1 A 74 74 ARG HA H 74 4.040 4.293 -0.253 1 1 896 . 17 1 1 A 74 74 ARG C C 74 178.910 176.187 2.723 1 1 897 . 17 1 1 A 74 74 ARG CA C 74 57.400 57.528 -0.128 1 1 898 . 17 1 1 A 74 74 ARG CB C 74 30.900 30.502 0.398 1 1 901 . 17 1 1 A 74 74 ARG N N 74 115.850 115.799 0.051 1 1 902 . 17 1 1 A 75 75 LYS H H 75 7.820 7.580 0.240 1 1 903 . 17 1 1 A 75 75 LYS HA H 75 4.200 4.323 -0.123 1 1 912 . 17 1 1 A 75 75 LYS C C 75 178.770 176.866 1.904 1 1 913 . 17 1 1 A 75 75 LYS CA C 75 55.900 54.994 0.906 1 1 914 . 17 1 1 A 75 75 LYS CB C 75 32.600 30.963 1.637 1 1 918 . 17 1 1 A 75 75 LYS N N 75 119.600 120.626 -1.026 1 1 919 . 17 1 1 A 76 76 MET H H 76 8.100 8.130 -0.030 1 1 920 . 17 1 1 A 76 76 MET HA H 76 4.300 4.826 -0.526 1 1 928 . 17 1 1 A 76 76 MET C C 76 176.990 175.811 1.179 1 1 929 . 17 1 1 A 76 76 MET CA C 76 55.800 54.000 1.800 1 1 930 . 17 1 1 A 76 76 MET CB C 76 33.800 32.670 1.130 1 1 933 . 17 1 1 A 76 76 MET N N 76 122.300 124.050 -1.750 1 1 934 . 17 1 1 A 77 77 LYS H H 77 8.150 7.435 0.715 1 1 935 . 17 1 1 A 77 77 LYS HA H 77 4.210 4.050 0.160 1 1 944 . 17 1 1 A 77 77 LYS C C 77 176.890 177.408 -0.518 1 1 945 . 17 1 1 A 77 77 LYS CA C 77 56.100 56.930 -0.830 1 1 946 . 17 1 1 A 77 77 LYS CB C 77 33.000 33.570 -0.570 1 1 950 . 17 1 1 A 77 77 LYS N N 77 121.300 122.496 -1.196 1 1 951 . 17 1 1 A 78 78 ASP H H 78 8.240 9.056 -0.816 1 1 952 . 17 1 1 A 78 78 ASP HA H 78 4.500 4.220 0.280 1 1 955 . 17 1 1 A 78 78 ASP C C 78 176.090 176.394 -0.304 1 1 956 . 17 1 1 A 78 78 ASP CA C 78 54.700 56.805 -2.105 1 1 957 . 17 1 1 A 78 78 ASP CB C 78 41.300 40.674 0.626 1 1 958 . 17 1 1 A 78 78 ASP N N 78 122.200 125.872 -3.672 1 1 959 . 17 1 1 A 79 79 THR H H 79 8.150 7.922 0.228 1 1 960 . 17 1 1 A 79 79 THR HA H 79 4.220 3.861 0.359 1 1 965 . 17 1 1 A 79 79 THR C C 79 176.240 173.497 2.743 1 1 966 . 17 1 1 A 79 79 THR CA C 79 61.500 62.376 -0.876 1 1 967 . 17 1 1 A 79 79 THR CB C 79 70.300 67.338 2.962 1 1 969 . 17 1 1 A 79 79 THR N N 79 114.940 110.272 4.668 1 1 970 . 17 1 1 A 80 80 ASP H H 80 8.480 8.052 0.428 1 1 971 . 17 1 1 A 80 80 ASP HA H 80 4.600 4.534 0.066 1 1 974 . 17 1 1 A 80 80 ASP C C 80 176.230 177.256 -1.026 1 1 975 . 17 1 1 A 80 80 ASP CA C 80 54.100 54.877 -0.777 1 1 976 . 17 1 1 A 80 80 ASP CB C 80 41.600 41.048 0.552 1 1 977 . 17 1 1 A 80 80 ASP N N 80 123.800 121.412 2.388 1 1 978 . 17 1 1 A 81 81 SER H H 81 8.500 8.975 -0.475 1 1 979 . 17 1 1 A 81 81 SER HA H 81 4.220 4.073 0.147 1 1 982 . 17 1 1 A 81 81 SER C C 81 173.900 176.644 -2.744 1 1 983 . 17 1 1 A 81 81 SER CA C 81 60.400 61.531 -1.131 1 1 984 . 17 1 1 A 81 81 SER CB C 81 63.700 62.626 1.074 1 1 985 . 17 1 1 A 81 81 SER N N 81 118.450 119.464 -1.014 1 1 986 . 17 1 1 A 82 82 GLU H H 82 8.430 8.018 0.412 1 1 987 . 17 1 1 A 82 82 GLU HA H 82 4.010 4.194 -0.184 1 1 992 . 17 1 1 A 82 82 GLU C C 82 176.370 179.386 -3.016 1 1 993 . 17 1 1 A 82 82 GLU CA C 82 59.100 59.286 -0.186 1 1 994 . 17 1 1 A 82 82 GLU CB C 82 29.600 29.163 0.437 1 1 996 . 17 1 1 A 82 82 GLU N N 82 121.850 120.914 0.936 1 1 997 . 17 1 1 A 83 83 GLU H H 83 8.020 8.785 -0.765 1 1 998 . 17 1 1 A 83 83 GLU HA H 83 4.040 4.045 -0.005 1 1 1003 . 17 1 1 A 83 83 GLU C C 83 175.890 178.470 -2.580 1 1 1004 . 17 1 1 A 83 83 GLU CA C 83 58.800 59.510 -0.710 1 1 1005 . 17 1 1 A 83 83 GLU CB C 83 29.400 29.087 0.313 1 1 1007 . 17 1 1 A 83 83 GLU N N 83 119.470 119.680 -0.210 1 1 1008 . 17 1 1 A 84 84 GLU H H 84 7.930 8.194 -0.264 1 1 1009 . 17 1 1 A 84 84 GLU HA H 84 4.150 4.184 -0.034 1 1 1014 . 17 1 1 A 84 84 GLU C C 84 176.160 178.364 -2.204 1 1 1015 . 17 1 1 A 84 84 GLU CA C 84 59.400 57.681 1.719 1 1 1016 . 17 1 1 A 84 84 GLU CB C 84 29.600 29.948 -0.348 1 1 1018 . 17 1 1 A 84 84 GLU N N 84 118.310 116.962 1.348 1 1 1019 . 17 1 1 A 85 85 ILE H H 85 7.880 8.153 -0.273 1 1 1020 . 17 1 1 A 85 85 ILE HA H 85 3.880 3.679 0.201 1 1 1030 . 17 1 1 A 85 85 ILE C C 85 179.870 177.552 2.318 1 1 1031 . 17 1 1 A 85 85 ILE CA C 85 65.400 64.968 0.432 1 1 1032 . 17 1 1 A 85 85 ILE CB C 85 37.400 37.648 -0.248 1 1 1036 . 17 1 1 A 85 85 ILE N N 85 120.900 121.832 -0.932 1 1 1037 . 17 1 1 A 86 86 ARG H H 86 7.990 8.347 -0.357 1 1 1038 . 17 1 1 A 86 86 ARG HA H 86 4.030 4.056 -0.026 1 1 1045 . 17 1 1 A 86 86 ARG C C 86 180.520 178.770 1.750 1 1 1046 . 17 1 1 A 86 86 ARG CA C 86 60.200 60.095 0.105 1 1 1047 . 17 1 1 A 86 86 ARG CB C 86 29.800 30.290 -0.490 1 1 1050 . 17 1 1 A 86 86 ARG N N 86 121.000 119.635 1.365 1 1 1051 . 17 1 1 A 87 87 GLU H H 87 8.350 8.445 -0.095 1 1 1052 . 17 1 1 A 87 87 GLU HA H 87 3.900 4.153 -0.253 1 1 1057 . 17 1 1 A 87 87 GLU C C 87 177.380 178.689 -1.309 1 1 1058 . 17 1 1 A 87 87 GLU CA C 87 59.600 59.323 0.277 1 1 1059 . 17 1 1 A 87 87 GLU CB C 87 29.500 29.409 0.091 1 1 1061 . 17 1 1 A 87 87 GLU N N 87 117.860 118.064 -0.204 1 1 1062 . 17 1 1 A 88 88 ALA H H 88 7.880 7.903 -0.023 1 1 1063 . 17 1 1 A 88 88 ALA HA H 88 4.060 4.243 -0.183 1 1 1067 . 17 1 1 A 88 88 ALA C C 88 178.580 179.656 -1.076 1 1 1068 . 17 1 1 A 88 88 ALA CA C 88 55.200 54.956 0.244 1 1 1069 . 17 1 1 A 88 88 ALA CB C 88 17.900 18.145 -0.245 1 1 1070 . 17 1 1 A 88 88 ALA N N 88 120.100 122.291 -2.191 1 1 1071 . 17 1 1 A 89 89 PHE H H 89 8.550 8.270 0.280 1 1 1072 . 17 1 1 A 89 89 PHE HA H 89 4.000 3.758 0.242 1 1 1080 . 17 1 1 A 89 89 PHE C C 89 179.770 177.310 2.460 1 1 1081 . 17 1 1 A 89 89 PHE CA C 89 61.800 61.376 0.424 1 1 1082 . 17 1 1 A 89 89 PHE CB C 89 39.130 39.101 0.029 1 1 1088 . 17 1 1 A 89 89 PHE N N 89 118.760 119.370 -0.610 1 1 1089 . 17 1 1 A 90 90 ARG H H 90 7.750 7.827 -0.077 1 1 1090 . 17 1 1 A 90 90 ARG HA H 90 3.760 4.032 -0.272 1 1 1097 . 17 1 1 A 90 90 ARG C C 90 179.090 178.778 0.312 1 1 1098 . 17 1 1 A 90 90 ARG CA C 90 58.800 59.179 -0.379 1 1 1099 . 17 1 1 A 90 90 ARG CB C 90 30.500 29.799 0.701 1 1 1102 . 17 1 1 A 90 90 ARG N N 90 115.100 118.517 -3.417 1 1 1103 . 17 1 1 A 91 91 VAL H H 91 7.270 7.587 -0.317 1 1 1104 . 17 1 1 A 91 91 VAL HA H 91 3.360 3.583 -0.223 1 1 1112 . 17 1 1 A 91 91 VAL C C 91 179.060 177.880 1.180 1 1 1113 . 17 1 1 A 91 91 VAL CA C 91 66.050 66.409 -0.359 1 1 1114 . 17 1 1 A 91 91 VAL CB C 91 31.200 31.696 -0.496 1 1 1117 . 17 1 1 A 91 91 VAL N N 91 117.450 119.502 -2.052 1 1 1118 . 17 1 1 A 92 92 PHE H H 92 7.000 7.708 -0.708 1 1 1119 . 17 1 1 A 92 92 PHE HA H 92 4.070 4.143 -0.073 1 1 1127 . 17 1 1 A 92 92 PHE C C 92 177.490 176.356 1.134 1 1 1128 . 17 1 1 A 92 92 PHE CA C 92 60.700 59.793 0.907 1 1 1129 . 17 1 1 A 92 92 PHE CB C 92 38.000 39.460 -1.460 1 1 1135 . 17 1 1 A 92 92 PHE N N 92 114.400 118.370 -3.970 1 1 1136 . 17 1 1 A 93 93 ASP H H 93 7.870 8.138 -0.268 1 1 1137 . 17 1 1 A 93 93 ASP HA H 93 4.450 4.452 -0.002 1 1 1140 . 17 1 1 A 93 93 ASP C C 93 176.830 176.205 0.625 1 1 1141 . 17 1 1 A 93 93 ASP CA C 93 52.300 52.440 -0.140 1 1 1142 . 17 1 1 A 93 93 ASP CB C 93 38.800 39.351 -0.551 1 1 1143 . 17 1 1 A 93 93 ASP N N 93 115.100 117.077 -1.977 1 1 1144 . 17 1 1 A 94 94 LYS H H 94 7.510 7.780 -0.270 1 1 1145 . 17 1 1 A 94 94 LYS HA H 94 3.770 3.801 -0.031 1 1 1154 . 17 1 1 A 94 94 LYS C C 94 176.650 177.703 -1.053 1 1 1155 . 17 1 1 A 94 94 LYS CA C 94 59.400 59.898 -0.498 1 1 1156 . 17 1 1 A 94 94 LYS CB C 94 32.800 32.102 0.698 1 1 1160 . 17 1 1 A 94 94 LYS N N 94 124.250 126.487 -2.237 1 1 1161 . 17 1 1 A 95 95 ASP H H 95 8.190 7.573 0.617 1 1 1162 . 17 1 1 A 95 95 ASP HA H 95 4.430 4.600 -0.170 1 1 1165 . 17 1 1 A 95 95 ASP C C 95 177.580 177.605 -0.025 1 1 1166 . 17 1 1 A 95 95 ASP CA C 95 53.600 53.188 0.412 1 1 1167 . 17 1 1 A 95 95 ASP CB C 95 39.900 39.938 -0.038 1 1 1168 . 17 1 1 A 95 95 ASP N N 95 113.600 115.060 -1.460 1 1 1169 . 17 1 1 A 96 96 GLY H H 96 7.770 7.960 -0.190 1 1 1170 . 17 1 1 A 96 96 GLY HA2 H 96 3.750 3.911 -0.161 1 1 1171 . 17 1 1 A 96 96 GLY HA3 H 96 3.750 3.915 -0.165 1 1 1172 . 17 1 1 A 96 96 GLY C C 96 178.400 175.483 2.917 1 1 1173 . 17 1 1 A 96 96 GLY CA C 96 47.100 47.019 0.081 1 1 1174 . 17 1 1 A 96 96 GLY N N 96 108.900 109.110 -0.210 1 1 1175 . 17 1 1 A 97 97 ASN H H 97 8.270 8.021 0.249 1 1 1176 . 17 1 1 A 97 97 ASN HA H 97 4.520 4.776 -0.256 1 1 1181 . 17 1 1 A 97 97 ASN CA C 97 52.900 52.493 0.407 1 1 1182 . 17 1 1 A 97 97 ASN CB C 97 38.100 38.135 -0.035 1 1 1183 . 17 1 1 A 97 97 ASN N N 97 119.460 118.913 0.547 1 1 1185 . 17 1 1 A 98 98 GLY H H 98 10.660 9.609 1.051 1 1 1186 . 17 1 1 A 98 98 GLY HA2 H 98 3.330 3.810 -0.480 1 1 1187 . 17 1 1 A 98 98 GLY HA3 H 98 3.960 3.921 0.039 1 1 1188 . 17 1 1 A 98 98 GLY C C 98 178.360 172.869 5.491 1 1 1189 . 17 1 1 A 98 98 GLY CA C 98 45.800 45.437 0.363 1 1 1190 . 17 1 1 A 98 98 GLY N N 98 112.700 111.888 0.812 1 1 1191 . 17 1 1 A 99 99 TYR H H 99 7.570 8.138 -0.568 1 1 1192 . 17 1 1 A 99 99 TYR HA H 99 4.850 5.356 -0.506 1 1 1199 . 17 1 1 A 99 99 TYR C C 99 176.090 175.064 1.026 1 1 1200 . 17 1 1 A 99 99 TYR CA C 99 56.250 56.032 0.218 1 1 1201 . 17 1 1 A 99 99 TYR CB C 99 42.700 43.177 -0.477 1 1 1206 . 17 1 1 A 99 99 TYR N N 99 115.850 117.454 -1.604 1 1 1207 . 17 1 1 A 100 100 ILE H H 100 10.120 9.317 0.803 1 1 1208 . 17 1 1 A 100 100 ILE HA H 100 4.600 4.806 -0.206 1 1 1218 . 17 1 1 A 100 100 ILE C C 100 172.730 175.288 -2.558 1 1 1219 . 17 1 1 A 100 100 ILE CA C 100 61.500 60.549 0.951 1 1 1220 . 17 1 1 A 100 100 ILE CB C 100 39.300 39.041 0.259 1 1 1224 . 17 1 1 A 100 100 ILE N N 100 127.260 124.896 2.364 1 1 1225 . 17 1 1 A 101 101 SER H H 101 9.010 9.054 -0.044 1 1 1226 . 17 1 1 A 101 101 SER HA H 101 4.820 4.813 0.007 1 1 1229 . 17 1 1 A 101 101 SER C C 101 174.660 175.752 -1.092 1 1 1230 . 17 1 1 A 101 101 SER CA C 101 55.900 57.673 -1.773 1 1 1231 . 17 1 1 A 101 101 SER CB C 101 67.000 64.517 2.483 1 1 1232 . 17 1 1 A 101 101 SER N N 101 123.850 122.856 0.994 1 1 1233 . 17 1 1 A 102 102 ALA H H 102 9.240 9.011 0.229 1 1 1234 . 17 1 1 A 102 102 ALA HA H 102 3.830 4.055 -0.225 1 1 1238 . 17 1 1 A 102 102 ALA C C 102 175.840 179.894 -4.054 1 1 1239 . 17 1 1 A 102 102 ALA CA C 102 56.170 55.843 0.327 1 1 1240 . 17 1 1 A 102 102 ALA CB C 102 18.200 17.928 0.272 1 1 1241 . 17 1 1 A 102 102 ALA N N 102 122.650 130.231 -7.581 1 1 1242 . 17 1 1 A 103 103 ALA H H 103 8.180 8.213 -0.033 1 1 1243 . 17 1 1 A 103 103 ALA HA H 103 3.980 3.979 0.001 1 1 1247 . 17 1 1 A 103 103 ALA C C 103 175.260 180.270 -5.010 1 1 1248 . 17 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 17 1 1 A 103 103 ALA CB C 103 18.500 18.715 -0.215 1 1 1250 . 17 1 1 A 103 103 ALA N N 103 118.250 119.596 -1.346 1 1 1251 . 17 1 1 A 104 104 GLU H H 104 7.860 7.924 -0.064 1 1 1252 . 17 1 1 A 104 104 GLU HA H 104 3.890 3.933 -0.043 1 1 1257 . 17 1 1 A 104 104 GLU C C 104 179.350 179.074 0.276 1 1 1258 . 17 1 1 A 104 104 GLU CA C 104 59.800 59.473 0.327 1 1 1259 . 17 1 1 A 104 104 GLU CB C 104 29.500 29.640 -0.140 1 1 1261 . 17 1 1 A 104 104 GLU N N 104 120.200 118.075 2.125 1 1 1262 . 17 1 1 A 105 105 LEU H H 105 8.500 7.932 0.568 1 1 1263 . 17 1 1 A 105 105 LEU HA H 105 3.960 3.957 0.003 1 1 1273 . 17 1 1 A 105 105 LEU C C 105 179.190 178.520 0.670 1 1 1274 . 17 1 1 A 105 105 LEU CA C 105 58.400 57.791 0.609 1 1 1275 . 17 1 1 A 105 105 LEU CB C 105 42.600 41.592 1.008 1 1 1279 . 17 1 1 A 105 105 LEU N N 105 120.100 121.141 -1.041 1 1 1280 . 17 1 1 A 106 106 ARG H H 106 8.490 8.323 0.167 1 1 1281 . 17 1 1 A 106 106 ARG HA H 106 3.550 3.910 -0.360 1 1 1288 . 17 1 1 A 106 106 ARG C C 106 175.240 178.483 -3.243 1 1 1289 . 17 1 1 A 106 106 ARG CA C 106 60.300 59.415 0.885 1 1 1290 . 17 1 1 A 106 106 ARG CB C 106 30.400 29.820 0.580 1 1 1293 . 17 1 1 A 106 106 ARG N N 106 117.300 119.990 -2.690 1 1 1294 . 17 1 1 A 107 107 HIS H H 107 7.870 7.490 0.380 1 1 1295 . 17 1 1 A 107 107 HIS HA H 107 4.120 4.136 -0.016 1 1 1300 . 17 1 1 A 107 107 HIS C C 107 176.690 177.316 -0.626 1 1 1301 . 17 1 1 A 107 107 HIS CA C 107 60.300 59.132 1.168 1 1 1302 . 17 1 1 A 107 107 HIS CB C 107 31.100 29.666 1.434 1 1 1304 . 17 1 1 A 107 107 HIS N N 107 120.000 119.695 0.305 1 1 1306 . 17 1 1 A 108 108 VAL H H 108 8.190 8.486 -0.296 1 1 1307 . 17 1 1 A 108 108 VAL HA H 108 3.400 3.293 0.107 1 1 1315 . 17 1 1 A 108 108 VAL C C 108 178.430 177.743 0.687 1 1 1316 . 17 1 1 A 108 108 VAL CA C 108 66.500 66.379 0.121 1 1 1317 . 17 1 1 A 108 108 VAL CB C 108 31.800 30.942 0.858 1 1 1320 . 17 1 1 A 108 108 VAL N N 108 118.980 119.477 -0.497 1 1 1321 . 17 1 1 A 109 109 MET H H 109 8.180 7.644 0.536 1 1 1322 . 17 1 1 A 109 109 MET HA H 109 4.220 4.034 0.186 1 1 1330 . 17 1 1 A 109 109 MET C C 109 179.690 178.904 0.786 1 1 1331 . 17 1 1 A 109 109 MET CA C 109 57.300 58.753 -1.453 1 1 1332 . 17 1 1 A 109 109 MET CB C 109 29.700 32.401 -2.701 1 1 1335 . 17 1 1 A 109 109 MET N N 109 114.980 117.473 -2.493 1 1 1336 . 17 1 1 A 110 110 THR H H 110 8.220 7.918 0.302 1 1 1337 . 17 1 1 A 110 110 THR HA H 110 4.000 3.776 0.224 1 1 1342 . 17 1 1 A 110 110 THR C C 110 176.410 176.414 -0.004 1 1 1343 . 17 1 1 A 110 110 THR CA C 110 67.100 67.040 0.060 1 1 1344 . 17 1 1 A 110 110 THR CB C 110 68.500 68.195 0.305 1 1 1346 . 17 1 1 A 110 110 THR N N 110 116.970 115.077 1.893 1 1 1347 . 17 1 1 A 111 111 ASN H H 111 7.780 7.403 0.377 1 1 1348 . 17 1 1 A 111 111 ASN HA H 111 4.320 4.442 -0.122 1 1 1353 . 17 1 1 A 111 111 ASN CA C 111 55.800 56.068 -0.268 1 1 1354 . 17 1 1 A 111 111 ASN CB C 111 38.200 37.940 0.260 1 1 1355 . 17 1 1 A 111 111 ASN N N 111 122.350 119.301 3.049 1 1 1357 . 17 1 1 A 112 112 LEU H H 112 7.480 7.473 0.007 1 1 1358 . 17 1 1 A 112 112 LEU HA H 112 4.210 4.257 -0.047 1 1 1368 . 17 1 1 A 112 112 LEU C C 112 178.710 177.018 1.692 1 1 1369 . 17 1 1 A 112 112 LEU CA C 112 55.100 55.259 -0.159 1 1 1370 . 17 1 1 A 112 112 LEU CB C 112 42.500 42.498 0.002 1 1 1374 . 17 1 1 A 112 112 LEU N N 112 118.300 117.187 1.113 1 1 1375 . 17 1 1 A 113 113 GLY H H 113 7.740 7.853 -0.113 1 1 1376 . 17 1 1 A 113 113 GLY HA2 H 113 3.580 3.938 -0.358 1 1 1377 . 17 1 1 A 113 113 GLY HA3 H 113 4.140 3.948 0.192 1 1 1378 . 17 1 1 A 113 113 GLY C C 113 176.830 174.770 2.060 1 1 1379 . 17 1 1 A 113 113 GLY CA C 113 45.370 46.415 -1.045 1 1 1380 . 17 1 1 A 113 113 GLY N N 113 106.500 108.219 -1.719 1 1 1381 . 17 1 1 A 114 114 GLU H H 114 7.780 8.228 -0.448 1 1 1382 . 17 1 1 A 114 114 GLU HA H 114 4.240 4.378 -0.138 1 1 1387 . 17 1 1 A 114 114 GLU C C 114 176.790 175.969 0.821 1 1 1388 . 17 1 1 A 114 114 GLU CA C 114 54.800 56.348 -1.548 1 1 1389 . 17 1 1 A 114 114 GLU CB C 114 29.900 30.389 -0.489 1 1 1391 . 17 1 1 A 114 114 GLU N N 114 119.300 118.814 0.486 1 1 1392 . 17 1 1 A 115 115 LYS H H 115 8.540 7.842 0.698 1 1 1393 . 17 1 1 A 115 115 LYS HA H 115 4.270 3.780 0.490 1 1 1402 . 17 1 1 A 115 115 LYS C C 115 174.300 175.679 -1.379 1 1 1403 . 17 1 1 A 115 115 LYS CA C 115 55.500 57.090 -1.590 1 1 1404 . 17 1 1 A 115 115 LYS CB C 115 31.900 30.288 1.612 1 1 1408 . 17 1 1 A 115 115 LYS N N 115 125.000 116.608 8.392 1 1 1409 . 17 1 1 A 116 116 LEU H H 116 8.000 7.942 0.058 1 1 1410 . 17 1 1 A 116 116 LEU HA H 116 4.630 4.336 0.294 1 1 1420 . 17 1 1 A 116 116 LEU C C 116 175.060 177.885 -2.825 1 1 1421 . 17 1 1 A 116 116 LEU CA C 116 54.100 54.757 -0.657 1 1 1422 . 17 1 1 A 116 116 LEU CB C 116 44.100 42.591 1.509 1 1 1426 . 17 1 1 A 116 116 LEU N N 116 123.620 120.254 3.366 1 1 1427 . 17 1 1 A 117 117 THR H H 117 9.140 8.791 0.349 1 1 1428 . 17 1 1 A 117 117 THR HA H 117 4.340 4.633 -0.293 1 1 1433 . 17 1 1 A 117 117 THR C C 117 175.610 175.582 0.028 1 1 1434 . 17 1 1 A 117 117 THR CA C 117 60.500 60.603 -0.103 1 1 1435 . 17 1 1 A 117 117 THR CB C 117 71.100 71.413 -0.313 1 1 1437 . 17 1 1 A 117 117 THR N N 117 114.240 115.039 -0.799 1 1 1438 . 17 1 1 A 118 118 ASP H H 118 8.820 8.933 -0.113 1 1 1439 . 17 1 1 A 118 118 ASP HA H 118 4.100 4.285 -0.185 1 1 1442 . 17 1 1 A 118 118 ASP C C 118 178.610 178.453 0.157 1 1 1443 . 17 1 1 A 118 118 ASP CA C 118 58.000 58.143 -0.143 1 1 1444 . 17 1 1 A 118 118 ASP CB C 118 39.700 40.265 -0.565 1 1 1445 . 17 1 1 A 118 118 ASP N N 118 120.660 121.945 -1.285 1 1 1446 . 17 1 1 A 119 119 GLU H H 119 8.450 8.234 0.216 1 1 1447 . 17 1 1 A 119 119 GLU HA H 119 3.960 4.004 -0.044 1 1 1452 . 17 1 1 A 119 119 GLU C C 119 175.620 179.487 -3.867 1 1 1453 . 17 1 1 A 119 119 GLU CA C 119 59.800 59.706 0.094 1 1 1454 . 17 1 1 A 119 119 GLU CB C 119 29.400 29.132 0.268 1 1 1456 . 17 1 1 A 119 119 GLU N N 119 118.790 120.198 -1.408 1 1 1457 . 17 1 1 A 120 120 GLU H H 120 7.570 7.733 -0.163 1 1 1458 . 17 1 1 A 120 120 GLU HA H 120 3.950 4.140 -0.190 1 1 1463 . 17 1 1 A 120 120 GLU C C 120 178.630 179.150 -0.520 1 1 1464 . 17 1 1 A 120 120 GLU CA C 120 59.600 58.756 0.844 1 1 1465 . 17 1 1 A 120 120 GLU CB C 120 29.400 29.239 0.161 1 1 1467 . 17 1 1 A 120 120 GLU N N 120 120.120 119.013 1.107 1 1 1468 . 17 1 1 A 121 121 VAL H H 121 7.750 8.118 -0.368 1 1 1469 . 17 1 1 A 121 121 VAL HA H 121 3.240 3.559 -0.319 1 1 1477 . 17 1 1 A 121 121 VAL C C 121 179.110 177.802 1.308 1 1 1478 . 17 1 1 A 121 121 VAL CA C 121 67.300 66.243 1.057 1 1 1479 . 17 1 1 A 121 121 VAL CB C 121 31.550 31.700 -0.150 1 1 1482 . 17 1 1 A 121 121 VAL N N 121 119.400 121.603 -2.203 1 1 1483 . 17 1 1 A 122 122 ASP H H 122 7.840 8.128 -0.288 1 1 1484 . 17 1 1 A 122 122 ASP HA H 122 4.260 4.326 -0.066 1 1 1487 . 17 1 1 A 122 122 ASP C C 122 178.890 178.459 0.431 1 1 1488 . 17 1 1 A 122 122 ASP CA C 122 57.700 57.793 -0.093 1 1 1489 . 17 1 1 A 122 122 ASP CB C 122 40.200 40.986 -0.786 1 1 1490 . 17 1 1 A 122 122 ASP N N 122 118.550 120.354 -1.804 1 1 1491 . 17 1 1 A 123 123 GLU H H 123 8.110 7.903 0.207 1 1 1492 . 17 1 1 A 123 123 GLU HA H 123 3.880 4.061 -0.181 1 1 1497 . 17 1 1 A 123 123 GLU C C 123 177.710 179.360 -1.650 1 1 1498 . 17 1 1 A 123 123 GLU CA C 123 59.600 59.398 0.202 1 1 1499 . 17 1 1 A 123 123 GLU CB C 123 29.400 29.458 -0.058 1 1 1501 . 17 1 1 A 123 123 GLU N N 123 119.670 118.978 0.692 1 1 1502 . 17 1 1 A 124 124 MET H H 124 8.000 7.981 0.019 1 1 1503 . 17 1 1 A 124 124 MET HA H 124 3.700 4.148 -0.448 1 1 1511 . 17 1 1 A 124 124 MET C C 124 179.020 178.812 0.208 1 1 1512 . 17 1 1 A 124 124 MET CA C 124 60.700 58.718 1.982 1 1 1513 . 17 1 1 A 124 124 MET CB C 124 33.200 33.006 0.194 1 1 1516 . 17 1 1 A 124 124 MET N N 124 118.100 119.339 -1.239 1 1 1517 . 17 1 1 A 125 125 ILE H H 125 8.220 7.741 0.479 1 1 1518 . 17 1 1 A 125 125 ILE HA H 125 3.610 3.632 -0.022 1 1 1528 . 17 1 1 A 125 125 ILE C C 125 179.410 177.937 1.473 1 1 1529 . 17 1 1 A 125 125 ILE CA C 125 64.200 64.902 -0.702 1 1 1530 . 17 1 1 A 125 125 ILE CB C 125 36.000 37.696 -1.696 1 1 1534 . 17 1 1 A 125 125 ILE N N 125 121.400 119.489 1.911 1 1 1535 . 17 1 1 A 126 126 ARG H H 126 8.510 7.929 0.581 1 1 1536 . 17 1 1 A 126 126 ARG HA H 126 3.930 3.896 0.034 1 1 1543 . 17 1 1 A 126 126 ARG C C 126 178.070 178.803 -0.733 1 1 1544 . 17 1 1 A 126 126 ARG CA C 126 59.500 59.793 -0.293 1 1 1545 . 17 1 1 A 126 126 ARG CB C 126 30.300 29.642 0.658 1 1 1548 . 17 1 1 A 126 126 ARG N N 126 117.650 120.461 -2.811 1 1 1549 . 17 1 1 A 127 127 GLU H H 127 7.820 8.223 -0.403 1 1 1550 . 17 1 1 A 127 127 GLU HA H 127 3.880 4.034 -0.154 1 1 1555 . 17 1 1 A 127 127 GLU C C 127 180.080 178.183 1.897 1 1 1556 . 17 1 1 A 127 127 GLU CA C 127 58.300 59.444 -1.144 1 1 1557 . 17 1 1 A 127 127 GLU CB C 127 29.800 29.307 0.493 1 1 1559 . 17 1 1 A 127 127 GLU N N 127 115.300 118.726 -3.426 1 1 1560 . 17 1 1 A 128 128 ALA H H 128 6.960 7.235 -0.275 1 1 1561 . 17 1 1 A 128 128 ALA HA H 128 4.340 4.373 -0.033 1 1 1565 . 17 1 1 A 128 128 ALA C C 128 181.640 177.219 4.421 1 1 1566 . 17 1 1 A 128 128 ALA CA C 128 51.700 51.992 -0.292 1 1 1567 . 17 1 1 A 128 128 ALA CB C 128 22.400 20.110 2.290 1 1 1568 . 17 1 1 A 128 128 ALA N N 128 115.890 120.709 -4.819 1 1 1569 . 17 1 1 A 129 129 ASP H H 129 8.210 7.783 0.427 1 1 1570 . 17 1 1 A 129 129 ASP HA H 129 4.360 4.584 -0.224 1 1 1573 . 17 1 1 A 129 129 ASP C C 129 176.420 176.578 -0.158 1 1 1574 . 17 1 1 A 129 129 ASP CA C 129 54.300 54.055 0.245 1 1 1575 . 17 1 1 A 129 129 ASP CB C 129 40.400 40.611 -0.211 1 1 1576 . 17 1 1 A 129 129 ASP N N 129 117.100 118.575 -1.475 1 1 1577 . 17 1 1 A 130 130 ILE H H 130 8.250 8.885 -0.635 1 1 1578 . 17 1 1 A 130 130 ILE HA H 130 3.800 4.164 -0.364 1 1 1588 . 17 1 1 A 130 130 ILE C C 130 177.960 175.276 2.684 1 1 1589 . 17 1 1 A 130 130 ILE CA C 130 63.500 62.903 0.597 1 1 1590 . 17 1 1 A 130 130 ILE CB C 130 38.500 38.446 0.054 1 1 1594 . 17 1 1 A 130 130 ILE N N 130 127.900 126.914 0.986 1 1 1595 . 17 1 1 A 131 131 ASP H H 131 8.220 7.620 0.600 1 1 1596 . 17 1 1 A 131 131 ASP HA H 131 4.400 4.964 -0.564 1 1 1599 . 17 1 1 A 131 131 ASP C C 131 175.850 175.913 -0.063 1 1 1600 . 17 1 1 A 131 131 ASP CA C 131 53.800 52.472 1.328 1 1 1601 . 17 1 1 A 131 131 ASP CB C 131 39.900 44.018 -4.118 1 1 1602 . 17 1 1 A 131 131 ASP N N 131 116.250 117.771 -1.521 1 1 1603 . 17 1 1 A 132 132 GLY H H 132 7.520 9.095 -1.575 1 1 1604 . 17 1 1 A 132 132 GLY HA2 H 132 3.700 3.896 -0.196 1 1 1605 . 17 1 1 A 132 132 GLY HA3 H 132 3.900 3.900 0.000 1 1 1606 . 17 1 1 A 132 132 GLY C C 132 177.820 175.066 2.754 1 1 1607 . 17 1 1 A 132 132 GLY CA C 132 47.400 47.237 0.163 1 1 1608 . 17 1 1 A 132 132 GLY N N 132 108.170 107.912 0.258 1 1 1609 . 17 1 1 A 133 133 ASP H H 133 8.240 8.391 -0.151 1 1 1610 . 17 1 1 A 133 133 ASP HA H 133 4.360 4.555 -0.195 1 1 1613 . 17 1 1 A 133 133 ASP C C 133 178.290 177.571 0.719 1 1 1614 . 17 1 1 A 133 133 ASP CA C 133 53.800 53.486 0.314 1 1 1615 . 17 1 1 A 133 133 ASP CB C 133 40.300 40.309 -0.009 1 1 1616 . 17 1 1 A 133 133 ASP N N 133 120.370 120.271 0.099 1 1 1617 . 17 1 1 A 134 134 GLY H H 134 10.140 9.476 0.664 1 1 1618 . 17 1 1 A 134 134 GLY HA2 H 134 3.300 3.839 -0.539 1 1 1619 . 17 1 1 A 134 134 GLY HA3 H 134 3.930 3.849 0.081 1 1 1620 . 17 1 1 A 134 134 GLY C C 134 175.350 173.239 2.111 1 1 1621 . 17 1 1 A 134 134 GLY CA C 134 45.900 45.633 0.267 1 1 1622 . 17 1 1 A 134 134 GLY N N 134 112.150 111.321 0.829 1 1 1623 . 17 1 1 A 135 135 GLN H H 135 7.910 8.194 -0.284 1 1 1624 . 17 1 1 A 135 135 GLN HA H 135 4.870 4.997 -0.127 1 1 1631 . 17 1 1 A 135 135 GLN C C 135 177.620 174.528 3.092 1 1 1632 . 17 1 1 A 135 135 GLN CA C 135 53.300 53.653 -0.353 1 1 1633 . 17 1 1 A 135 135 GLN CB C 135 33.000 32.630 0.370 1 1 1635 . 17 1 1 A 135 135 GLN N N 135 114.700 118.510 -3.810 1 1 1637 . 17 1 1 A 136 136 VAL H H 136 9.070 8.837 0.233 1 1 1638 . 17 1 1 A 136 136 VAL HA H 136 5.110 5.180 -0.070 1 1 1646 . 17 1 1 A 136 136 VAL C C 136 172.750 175.417 -2.667 1 1 1647 . 17 1 1 A 136 136 VAL CA C 136 61.800 61.727 0.073 1 1 1648 . 17 1 1 A 136 136 VAL CB C 136 34.100 33.063 1.037 1 1 1651 . 17 1 1 A 136 136 VAL N N 136 124.900 122.468 2.432 1 1 1652 . 17 1 1 A 137 137 ASN H H 137 9.450 8.893 0.557 1 1 1653 . 17 1 1 A 137 137 ASN HA H 137 5.240 5.048 0.192 1 1 1658 . 17 1 1 A 137 137 ASN CA C 137 51.400 52.182 -0.782 1 1 1659 . 17 1 1 A 137 137 ASN CB C 137 40.000 40.294 -0.294 1 1 1660 . 17 1 1 A 137 137 ASN N N 137 128.840 126.513 2.327 1 1 1662 . 17 1 1 A 138 138 TYR H H 138 8.330 8.847 -0.517 1 1 1663 . 17 1 1 A 138 138 TYR HA H 138 3.240 4.242 -1.002 1 1 1670 . 17 1 1 A 138 138 TYR C C 138 180.030 177.498 2.532 1 1 1671 . 17 1 1 A 138 138 TYR CA C 138 62.400 62.323 0.077 1 1 1672 . 17 1 1 A 138 138 TYR CB C 138 38.000 38.422 -0.422 1 1 1677 . 17 1 1 A 138 138 TYR N N 138 118.150 125.971 -7.821 1 1 1678 . 17 1 1 A 139 139 GLU H H 139 7.990 8.486 -0.496 1 1 1679 . 17 1 1 A 139 139 GLU HA H 139 3.520 4.069 -0.549 1 1 1684 . 17 1 1 A 139 139 GLU C C 139 179.170 178.764 0.406 1 1 1685 . 17 1 1 A 139 139 GLU CA C 139 60.550 59.269 1.281 1 1 1686 . 17 1 1 A 139 139 GLU CB C 139 29.100 29.384 -0.284 1 1 1688 . 17 1 1 A 139 139 GLU N N 139 118.100 118.217 -0.117 1 1 1689 . 17 1 1 A 140 140 GLU H H 140 8.640 8.145 0.495 1 1 1690 . 17 1 1 A 140 140 GLU HA H 140 3.780 4.085 -0.305 1 1 1695 . 17 1 1 A 140 140 GLU C C 140 181.440 179.014 2.426 1 1 1696 . 17 1 1 A 140 140 GLU CA C 140 58.800 59.075 -0.275 1 1 1697 . 17 1 1 A 140 140 GLU CB C 140 29.200 29.697 -0.497 1 1 1699 . 17 1 1 A 140 140 GLU N N 140 119.300 120.089 -0.789 1 1 1700 . 17 1 1 A 141 141 PHE H H 141 8.470 8.050 0.420 1 1 1701 . 17 1 1 A 141 141 PHE HA H 141 3.380 3.924 -0.544 1 1 1709 . 17 1 1 A 141 141 PHE C C 141 178.980 176.777 2.203 1 1 1710 . 17 1 1 A 141 141 PHE CA C 141 61.900 61.319 0.581 1 1 1711 . 17 1 1 A 141 141 PHE CB C 141 40.200 39.250 0.950 1 1 1717 . 17 1 1 A 141 141 PHE N N 141 123.640 121.715 1.925 1 1 1718 . 17 1 1 A 142 142 VAL H H 142 8.510 8.061 0.449 1 1 1719 . 17 1 1 A 142 142 VAL HA H 142 3.000 3.284 -0.284 1 1 1727 . 17 1 1 A 142 142 VAL C C 142 176.540 177.710 -1.170 1 1 1728 . 17 1 1 A 142 142 VAL CA C 142 66.900 66.362 0.538 1 1 1729 . 17 1 1 A 142 142 VAL CB C 142 31.450 31.487 -0.037 1 1 1732 . 17 1 1 A 142 142 VAL N N 142 118.330 118.910 -0.580 1 1 1733 . 17 1 1 A 143 143 GLN H H 143 7.520 8.228 -0.708 1 1 1734 . 17 1 1 A 143 143 GLN HA H 143 3.750 3.933 -0.183 1 1 1741 . 17 1 1 A 143 143 GLN C C 143 176.630 178.290 -1.660 1 1 1742 . 17 1 1 A 143 143 GLN CA C 143 58.900 59.389 -0.489 1 1 1743 . 17 1 1 A 143 143 GLN CB C 143 28.200 28.216 -0.016 1 1 1745 . 17 1 1 A 143 143 GLN N N 143 118.100 119.139 -1.039 1 1 1747 . 17 1 1 A 144 144 MET H H 144 7.250 7.988 -0.738 1 1 1748 . 17 1 1 A 144 144 MET HA H 144 4.090 4.211 -0.121 1 1 1756 . 17 1 1 A 144 144 MET C C 144 179.340 178.872 0.468 1 1 1757 . 17 1 1 A 144 144 MET CA C 144 56.750 57.747 -0.997 1 1 1758 . 17 1 1 A 144 144 MET CB C 144 30.800 32.105 -1.305 1 1 1761 . 17 1 1 A 144 144 MET N N 144 117.300 117.870 -0.570 1 1 1762 . 17 1 1 A 145 145 MET H H 145 7.460 7.657 -0.197 1 1 1763 . 17 1 1 A 145 145 MET HA H 145 3.900 4.030 -0.130 1 1 1771 . 17 1 1 A 145 145 MET C C 145 178.110 178.459 -0.349 1 1 1772 . 17 1 1 A 145 145 MET CA C 145 56.800 57.982 -1.182 1 1 1773 . 17 1 1 A 145 145 MET CB C 145 31.800 33.618 -1.818 1 1 1776 . 17 1 1 A 145 145 MET N N 145 114.350 118.757 -4.407 1 1 1777 . 17 1 1 A 146 146 THR H H 146 7.560 7.929 -0.369 1 1 1778 . 17 1 1 A 146 146 THR HA H 146 4.220 4.235 -0.015 1 1 1783 . 17 1 1 A 146 146 THR C C 146 177.440 175.133 2.307 1 1 1784 . 17 1 1 A 146 146 THR CA C 146 62.650 64.284 -1.634 1 1 1785 . 17 1 1 A 146 146 THR CB C 146 69.700 69.573 0.127 1 1 1787 . 17 1 1 A 146 146 THR N N 146 109.350 111.111 -1.761 1 1 1788 . 17 1 1 A 147 147 ALA H H 147 7.420 7.809 -0.389 1 1 1789 . 17 1 1 A 147 147 ALA HA H 147 4.170 4.049 0.121 1 1 1793 . 17 1 1 A 147 147 ALA C C 147 177.480 177.504 -0.024 1 1 1794 . 17 1 1 A 147 147 ALA CA C 147 52.900 53.429 -0.529 1 1 1795 . 17 1 1 A 147 147 ALA CB C 147 19.200 19.044 0.156 1 1 1796 . 17 1 1 A 147 147 ALA N N 147 125.650 123.169 2.481 1 1 1814 . 17 2 2 B 1 1 ARG H H 1088 8.270 9.155 -0.885 1 1 1815 . 17 2 2 B 1 1 ARG HA H 1088 3.860 4.016 -0.156 1 1 1822 . 17 2 2 B 1 1 ARG CA C 1088 59.900 56.995 2.905 1 1 1823 . 17 2 2 B 1 1 ARG CB C 1088 29.900 29.255 0.645 1 1 1826 . 17 2 2 B 1 1 ARG N N 1088 117.300 125.772 -8.472 1 1 1827 . 17 2 2 B 2 2 GLY H H 1089 9.370 7.861 1.509 1 1 1828 . 17 2 2 B 2 2 GLY HA2 H 1089 3.520 3.988 -0.468 1 1 1829 . 17 2 2 B 2 2 GLY HA3 H 1089 3.730 4.006 -0.276 1 1 1830 . 17 2 2 B 2 2 GLY C C 1089 176.650 175.629 1.021 1 1 1831 . 17 2 2 B 2 2 GLY CA C 1089 47.200 46.539 0.661 1 1 1832 . 17 2 2 B 2 2 GLY N N 1089 105.000 108.838 -3.838 1 1 1833 . 17 2 2 B 3 3 GLN H H 1090 6.980 7.927 -0.947 1 1 1834 . 17 2 2 B 3 3 GLN HA H 1090 3.830 4.285 -0.455 1 1 1841 . 17 2 2 B 3 3 GLN C C 1090 177.680 178.733 -1.053 1 1 1842 . 17 2 2 B 3 3 GLN CA C 1090 59.100 58.769 0.331 1 1 1843 . 17 2 2 B 3 3 GLN CB C 1090 29.800 28.294 1.506 1 1 1845 . 17 2 2 B 3 3 GLN N N 1090 117.350 119.925 -2.575 1 1 1847 . 17 2 2 B 4 4 ILE H H 1091 7.760 7.720 0.040 1 1 1848 . 17 2 2 B 4 4 ILE HA H 1091 3.480 3.783 -0.303 1 1 1858 . 17 2 2 B 4 4 ILE C C 1091 175.070 178.446 -3.376 1 1 1859 . 17 2 2 B 4 4 ILE CA C 1091 65.600 65.470 0.130 1 1 1860 . 17 2 2 B 4 4 ILE CB C 1091 38.000 38.085 -0.085 1 1 1864 . 17 2 2 B 4 4 ILE N N 1091 119.650 121.276 -1.626 1 1 1865 . 17 2 2 B 5 5 LEU H H 1092 7.830 8.345 -0.515 1 1 1866 . 17 2 2 B 5 5 LEU HA H 1092 3.820 3.921 -0.101 1 1 1876 . 17 2 2 B 5 5 LEU C C 1092 176.220 179.225 -3.005 1 1 1877 . 17 2 2 B 5 5 LEU CA C 1092 58.250 58.424 -0.174 1 1 1878 . 17 2 2 B 5 5 LEU CB C 1092 41.700 41.663 0.037 1 1 1882 . 17 2 2 B 5 5 LEU N N 1092 119.200 118.637 0.563 1 1 1883 . 17 2 2 B 6 6 TRP H H 1093 7.650 8.218 -0.568 1 1 1884 . 17 2 2 B 6 6 TRP HA H 1093 4.120 4.323 -0.203 1 1 1893 . 17 2 2 B 6 6 TRP C C 1093 178.490 179.016 -0.526 1 1 1894 . 17 2 2 B 6 6 TRP CA C 1093 61.100 60.511 0.589 1 1 1895 . 17 2 2 B 6 6 TRP CB C 1093 30.000 29.549 0.451 1 1 1901 . 17 2 2 B 6 6 TRP N N 1093 119.200 118.862 0.338 1 1 1903 . 17 2 2 B 7 7 PHE H H 1094 8.400 8.758 -0.358 1 1 1904 . 17 2 2 B 7 7 PHE HA H 1094 4.390 4.203 0.187 1 1 1912 . 17 2 2 B 7 7 PHE C C 1094 178.840 177.996 0.844 1 1 1913 . 17 2 2 B 7 7 PHE CA C 1094 59.700 62.329 -2.629 1 1 1914 . 17 2 2 B 7 7 PHE CB C 1094 37.000 38.664 -1.664 1 1 1919 . 17 2 2 B 7 7 PHE N N 1094 117.800 118.188 -0.388 1 1 1920 . 17 2 2 B 8 8 ARG H H 1095 8.360 8.226 0.134 1 1 1921 . 17 2 2 B 8 8 ARG HA H 1095 4.140 4.064 0.076 1 1 1928 . 17 2 2 B 8 8 ARG C C 1095 178.290 179.096 -0.806 1 1 1929 . 17 2 2 B 8 8 ARG CA C 1095 59.600 59.766 -0.166 1 1 1930 . 17 2 2 B 8 8 ARG CB C 1095 30.500 30.228 0.272 1 1 1933 . 17 2 2 B 8 8 ARG N N 1095 120.800 120.042 0.758 1 1 1934 . 17 2 2 B 9 9 GLY H H 1096 8.330 8.276 0.054 1 1 1935 . 17 2 2 B 9 9 GLY HA2 H 1096 3.560 3.640 -0.080 1 1 1936 . 17 2 2 B 9 9 GLY HA3 H 1096 3.720 3.672 0.048 1 1 1937 . 17 2 2 B 9 9 GLY C C 1096 178.010 175.666 2.344 1 1 1938 . 17 2 2 B 9 9 GLY CA C 1096 47.200 47.323 -0.123 1 1 1939 . 17 2 2 B 9 9 GLY N N 1096 106.400 107.214 -0.814 1 1 1940 . 17 2 2 B 10 10 LEU H H 1097 9.090 8.062 1.028 1 1 1941 . 17 2 2 B 10 10 LEU HA H 1097 4.150 4.007 0.143 1 1 1951 . 17 2 2 B 10 10 LEU C C 1097 178.820 178.528 0.292 1 1 1952 . 17 2 2 B 10 10 LEU CA C 1097 58.500 57.303 1.197 1 1 1953 . 17 2 2 B 10 10 LEU CB C 1097 41.600 41.152 0.448 1 1 1957 . 17 2 2 B 10 10 LEU N N 1097 120.900 122.716 -1.816 1 1 1958 . 17 2 2 B 11 11 ASN H H 1098 8.380 8.548 -0.168 1 1 1959 . 17 2 2 B 11 11 ASN HA H 1098 4.440 4.488 -0.048 1 1 1964 . 17 2 2 B 11 11 ASN CA C 1098 56.700 56.611 0.089 1 1 1965 . 17 2 2 B 11 11 ASN CB C 1098 38.700 37.900 0.800 1 1 1966 . 17 2 2 B 11 11 ASN N N 1098 116.900 116.050 0.850 1 1 1968 . 17 2 2 B 12 12 ARG H H 1099 7.900 7.642 0.258 1 1 1969 . 17 2 2 B 12 12 ARG HA H 1099 3.980 4.098 -0.118 1 1 1976 . 17 2 2 B 12 12 ARG C C 1099 178.360 178.294 0.066 1 1 1977 . 17 2 2 B 12 12 ARG CA C 1099 60.200 59.169 1.031 1 1 1978 . 17 2 2 B 12 12 ARG CB C 1099 32.600 30.022 2.578 1 1 1981 . 17 2 2 B 12 12 ARG N N 1099 120.100 119.267 0.833 1 1 1982 . 17 2 2 B 13 13 ILE H H 1100 8.230 8.033 0.197 1 1 1983 . 17 2 2 B 13 13 ILE HA H 1100 3.840 3.651 0.189 1 1 1993 . 17 2 2 B 13 13 ILE C C 1100 178.110 177.933 0.177 1 1 1994 . 17 2 2 B 13 13 ILE CA C 1100 63.800 65.448 -1.648 1 1 1995 . 17 2 2 B 13 13 ILE CB C 1100 37.300 37.659 -0.359 1 1 1999 . 17 2 2 B 13 13 ILE N N 1100 120.350 120.895 -0.545 1 1 2000 . 17 2 2 B 14 14 GLN H H 1101 8.830 7.800 1.030 1 1 2001 . 17 2 2 B 14 14 GLN HA H 1101 3.990 3.947 0.043 1 1 2008 . 17 2 2 B 14 14 GLN C C 1101 177.860 178.874 -1.014 1 1 2009 . 17 2 2 B 14 14 GLN CA C 1101 60.000 59.187 0.813 1 1 2010 . 17 2 2 B 14 14 GLN CB C 1101 28.800 28.457 0.343 1 1 2012 . 17 2 2 B 14 14 GLN N N 1101 118.700 118.073 0.627 1 1 2014 . 17 2 2 B 15 15 THR H H 1102 8.140 7.671 0.469 1 1 2015 . 17 2 2 B 15 15 THR HA H 1102 3.890 3.801 0.089 1 1 2020 . 17 2 2 B 15 15 THR C C 1102 177.470 176.294 1.176 1 1 2021 . 17 2 2 B 15 15 THR CA C 1102 67.400 67.425 -0.025 1 1 2022 . 17 2 2 B 15 15 THR CB C 1102 70.300 68.330 1.970 1 1 2024 . 17 2 2 B 15 15 THR N N 1102 117.500 117.901 -0.401 1 1 2025 . 17 2 2 B 16 16 GLN H H 1103 8.320 8.577 -0.257 1 1 2026 . 17 2 2 B 16 16 GLN HA H 1103 4.100 3.941 0.159 1 1 2033 . 17 2 2 B 16 16 GLN C C 1103 178.890 178.578 0.312 1 1 2034 . 17 2 2 B 16 16 GLN CA C 1103 60.600 59.252 1.348 1 1 2035 . 17 2 2 B 16 16 GLN CB C 1103 30.500 28.454 2.046 1 1 2037 . 17 2 2 B 16 16 GLN N N 1103 120.650 119.099 1.551 1 1 2039 . 17 2 2 B 17 17 ILE H H 1104 8.690 7.458 1.232 1 1 2040 . 17 2 2 B 17 17 ILE HA H 1104 3.470 3.993 -0.523 1 1 2050 . 17 2 2 B 17 17 ILE C C 1104 175.230 177.909 -2.679 1 1 2051 . 17 2 2 B 17 17 ILE CA C 1104 66.150 62.386 3.764 1 1 2052 . 17 2 2 B 17 17 ILE CB C 1104 38.300 38.035 0.265 1 1 2056 . 17 2 2 B 17 17 ILE N N 1104 119.400 120.131 -0.731 1 1 2057 . 17 2 2 B 18 18 LYS H H 1105 7.950 8.726 -0.776 1 1 2058 . 17 2 2 B 18 18 LYS HA H 1105 3.900 3.987 -0.087 1 1 2067 . 17 2 2 B 18 18 LYS C C 1105 177.660 178.613 -0.953 1 1 2068 . 17 2 2 B 18 18 LYS CA C 1105 60.050 59.811 0.239 1 1 2069 . 17 2 2 B 18 18 LYS CB C 1105 32.700 32.177 0.523 1 1 2073 . 17 2 2 B 18 18 LYS N N 1105 120.280 123.323 -3.043 1 1 2074 . 17 2 2 B 19 19 VAL H H 1106 8.280 7.634 0.646 1 1 2075 . 17 2 2 B 19 19 VAL HA H 1106 3.430 3.800 -0.370 1 1 2083 . 17 2 2 B 19 19 VAL C C 1106 177.660 178.365 -0.705 1 1 2084 . 17 2 2 B 19 19 VAL CA C 1106 65.900 66.614 -0.714 1 1 2085 . 17 2 2 B 19 19 VAL CB C 1106 31.400 31.704 -0.304 1 1 2088 . 17 2 2 B 19 19 VAL N N 1106 120.660 119.481 1.179 1 1 2089 . 17 2 2 B 20 20 VAL H H 1107 8.420 8.032 0.388 1 1 2090 . 17 2 2 B 20 20 VAL HA H 1107 3.580 3.888 -0.308 1 1 2098 . 17 2 2 B 20 20 VAL C C 1107 178.930 178.329 0.601 1 1 2099 . 17 2 2 B 20 20 VAL CA C 1107 68.390 65.965 2.425 1 1 2100 . 17 2 2 B 20 20 VAL CB C 1107 31.200 31.471 -0.271 1 1 2103 . 17 2 2 B 20 20 VAL N N 1107 119.990 116.490 3.500 1 1 2104 . 17 2 2 B 21 21 LYS H H 1108 8.300 8.181 0.119 1 1 2105 . 17 2 2 B 21 21 LYS HA H 1108 4.050 4.116 -0.066 1 1 2114 . 17 2 2 B 21 21 LYS C C 1108 177.230 178.963 -1.733 1 1 2115 . 17 2 2 B 21 21 LYS CA C 1108 59.980 59.792 0.188 1 1 2116 . 17 2 2 B 21 21 LYS CB C 1108 32.400 32.187 0.213 1 1 2120 . 17 2 2 B 21 21 LYS N N 1108 119.290 122.150 -2.860 1 1 2121 . 17 2 2 B 22 22 ALA H H 1109 7.690 8.095 -0.405 1 1 2122 . 17 2 2 B 22 22 ALA HA H 1109 3.900 4.194 -0.294 1 1 2126 . 17 2 2 B 22 22 ALA C C 1109 178.200 179.672 -1.472 1 1 2127 . 17 2 2 B 22 22 ALA CA C 1109 54.950 55.242 -0.292 1 1 2128 . 17 2 2 B 22 22 ALA CB C 1109 22.000 18.742 3.258 1 1 2129 . 17 2 2 B 22 22 ALA N N 1109 123.910 122.116 1.794 1 1 2130 . 17 2 2 B 23 23 PHE H H 1110 7.920 8.329 -0.409 1 1 2131 . 17 2 2 B 23 23 PHE HA H 1110 4.120 4.240 -0.120 1 1 2139 . 17 2 2 B 23 23 PHE C C 1110 178.840 178.282 0.558 1 1 2140 . 17 2 2 B 23 23 PHE CA C 1110 61.260 60.653 0.607 1 1 2141 . 17 2 2 B 23 23 PHE CB C 1110 40.200 38.865 1.335 1 1 2147 . 17 2 2 B 23 23 PHE N N 1110 118.200 115.650 2.550 1 1 2148 . 17 2 2 B 24 24 HIS H H 1111 7.960 7.445 0.515 1 1 2149 . 17 2 2 B 24 24 HIS HA H 1111 4.530 4.389 0.141 1 1 2155 . 17 2 2 B 24 24 HIS C C 1111 178.710 175.315 3.395 1 1 2156 . 17 2 2 B 24 24 HIS CA C 1111 57.200 59.884 -2.684 1 1 2157 . 17 2 2 B 24 24 HIS CB C 1111 30.200 29.813 0.387 1 1 2160 . 17 2 2 B 24 24 HIS N N 1111 117.760 117.563 0.197 1 1 2162 . 17 2 2 B 25 25 SER H H 1112 7.980 8.501 -0.521 1 1 2163 . 17 2 2 B 25 25 SER HA H 1112 4.340 3.965 0.375 1 1 2166 . 17 2 2 B 25 25 SER C C 1112 177.230 173.529 3.701 1 1 2167 . 17 2 2 B 25 25 SER CA C 1112 58.570 59.337 -0.767 1 1 2168 . 17 2 2 B 25 25 SER CB C 1112 63.800 61.881 1.919 1 1 2169 . 17 2 2 B 25 25 SER N N 1112 116.970 114.682 2.288 1 1 9 . 18 1 1 A 2 2 ASP H H 2 8.220 8.047 0.173 1 1 10 . 18 1 1 A 2 2 ASP HA H 2 4.500 4.541 -0.041 1 1 13 . 18 1 1 A 2 2 ASP CA C 2 54.750 53.146 1.604 1 1 14 . 18 1 1 A 2 2 ASP CB C 2 41.350 39.818 1.532 1 1 15 . 18 1 1 A 2 2 ASP N N 2 121.760 114.725 7.035 1 1 16 . 18 1 1 A 3 3 GLN H H 3 8.320 8.012 0.308 1 1 17 . 18 1 1 A 3 3 GLN HA H 3 4.240 4.021 0.219 1 1 24 . 18 1 1 A 3 3 GLN CA C 3 55.750 56.564 -0.814 1 1 25 . 18 1 1 A 3 3 GLN CB C 3 29.700 27.269 2.431 1 1 27 . 18 1 1 A 3 3 GLN N N 3 119.800 118.714 1.086 1 1 29 . 18 1 1 A 4 4 LEU H H 4 8.250 8.480 -0.230 1 1 30 . 18 1 1 A 4 4 LEU HA H 4 4.540 4.639 -0.099 1 1 40 . 18 1 1 A 4 4 LEU C C 4 175.740 177.086 -1.346 1 1 41 . 18 1 1 A 4 4 LEU CA C 4 54.600 54.785 -0.185 1 1 42 . 18 1 1 A 4 4 LEU CB C 4 43.600 43.680 -0.080 1 1 46 . 18 1 1 A 4 4 LEU N N 4 123.100 122.385 0.715 1 1 47 . 18 1 1 A 5 5 THR H H 5 8.680 7.557 1.123 1 1 48 . 18 1 1 A 5 5 THR HA H 5 4.350 4.263 0.087 1 1 53 . 18 1 1 A 5 5 THR C C 5 175.750 175.197 0.553 1 1 54 . 18 1 1 A 5 5 THR CA C 5 60.500 61.124 -0.624 1 1 55 . 18 1 1 A 5 5 THR CB C 5 71.100 70.168 0.932 1 1 57 . 18 1 1 A 5 5 THR N N 5 112.700 113.571 -0.871 1 1 58 . 18 1 1 A 6 6 GLU H H 6 8.950 9.000 -0.050 1 1 59 . 18 1 1 A 6 6 GLU HA H 6 3.880 3.900 -0.020 1 1 64 . 18 1 1 A 6 6 GLU C C 6 177.790 178.439 -0.649 1 1 65 . 18 1 1 A 6 6 GLU CA C 6 60.200 60.188 0.012 1 1 66 . 18 1 1 A 6 6 GLU CB C 6 29.300 29.582 -0.282 1 1 68 . 18 1 1 A 6 6 GLU N N 6 119.950 123.524 -3.574 1 1 69 . 18 1 1 A 7 7 GLU H H 7 8.660 8.103 0.557 1 1 70 . 18 1 1 A 7 7 GLU HA H 7 3.940 4.000 -0.060 1 1 75 . 18 1 1 A 7 7 GLU C C 7 175.460 178.793 -3.333 1 1 76 . 18 1 1 A 7 7 GLU CA C 7 60.200 59.806 0.394 1 1 77 . 18 1 1 A 7 7 GLU CB C 7 29.100 29.331 -0.231 1 1 79 . 18 1 1 A 7 7 GLU N N 7 119.250 119.113 0.137 1 1 80 . 18 1 1 A 8 8 GLN H H 8 7.670 7.534 0.136 1 1 81 . 18 1 1 A 8 8 GLN HA H 8 3.760 4.235 -0.475 1 1 88 . 18 1 1 A 8 8 GLN C C 8 179.600 178.968 0.632 1 1 89 . 18 1 1 A 8 8 GLN CA C 8 58.800 58.704 0.096 1 1 90 . 18 1 1 A 8 8 GLN CB C 8 29.300 28.503 0.797 1 1 92 . 18 1 1 A 8 8 GLN N N 8 120.000 118.574 1.426 1 1 94 . 18 1 1 A 9 9 ILE H H 9 8.280 9.065 -0.785 1 1 95 . 18 1 1 A 9 9 ILE HA H 9 3.580 3.769 -0.189 1 1 105 . 18 1 1 A 9 9 ILE C C 9 179.270 178.014 1.256 1 1 106 . 18 1 1 A 9 9 ILE CA C 9 66.400 65.594 0.806 1 1 107 . 18 1 1 A 9 9 ILE CB C 9 38.100 37.752 0.348 1 1 111 . 18 1 1 A 9 9 ILE N N 9 119.400 121.600 -2.200 1 1 112 . 18 1 1 A 10 10 ALA H H 10 7.950 8.057 -0.107 1 1 113 . 18 1 1 A 10 10 ALA HA H 10 4.020 4.022 -0.002 1 1 117 . 18 1 1 A 10 10 ALA C C 10 178.490 179.238 -0.748 1 1 118 . 18 1 1 A 10 10 ALA CA C 10 55.400 55.870 -0.470 1 1 119 . 18 1 1 A 10 10 ALA CB C 10 17.950 18.229 -0.279 1 1 120 . 18 1 1 A 10 10 ALA N N 10 121.000 122.463 -1.463 1 1 121 . 18 1 1 A 11 11 GLU H H 11 7.730 7.838 -0.108 1 1 122 . 18 1 1 A 11 11 GLU HA H 11 4.030 4.024 0.006 1 1 127 . 18 1 1 A 11 11 GLU C C 11 177.860 179.219 -1.359 1 1 128 . 18 1 1 A 11 11 GLU CA C 11 59.500 59.377 0.123 1 1 129 . 18 1 1 A 11 11 GLU CB C 11 29.500 29.523 -0.023 1 1 131 . 18 1 1 A 11 11 GLU N N 11 119.700 118.517 1.183 1 1 132 . 18 1 1 A 12 12 PHE H H 12 8.470 8.475 -0.005 1 1 133 . 18 1 1 A 12 12 PHE HA H 12 4.910 4.272 0.638 1 1 141 . 18 1 1 A 12 12 PHE C C 12 181.140 178.064 3.076 1 1 142 . 18 1 1 A 12 12 PHE CA C 12 59.200 61.528 -2.328 1 1 143 . 18 1 1 A 12 12 PHE CB C 12 37.700 38.590 -0.890 1 1 149 . 18 1 1 A 12 12 PHE N N 12 119.900 119.570 0.330 1 1 150 . 18 1 1 A 13 13 LYS H H 13 9.180 8.550 0.630 1 1 151 . 18 1 1 A 13 13 LYS HA H 13 3.860 3.820 0.040 1 1 160 . 18 1 1 A 13 13 LYS C C 13 180.730 178.523 2.207 1 1 161 . 18 1 1 A 13 13 LYS CA C 13 60.300 59.954 0.346 1 1 162 . 18 1 1 A 13 13 LYS CB C 13 31.900 32.628 -0.728 1 1 166 . 18 1 1 A 13 13 LYS N N 13 124.000 120.397 3.603 1 1 167 . 18 1 1 A 14 14 GLU H H 14 7.770 8.048 -0.278 1 1 168 . 18 1 1 A 14 14 GLU HA H 14 4.050 4.020 0.030 1 1 173 . 18 1 1 A 14 14 GLU C C 14 178.750 179.132 -0.382 1 1 174 . 18 1 1 A 14 14 GLU CA C 14 59.300 59.483 -0.183 1 1 175 . 18 1 1 A 14 14 GLU CB C 14 29.300 29.108 0.192 1 1 177 . 18 1 1 A 14 14 GLU N N 14 120.060 118.412 1.648 1 1 178 . 18 1 1 A 15 15 ALA H H 15 8.020 7.522 0.498 1 1 179 . 18 1 1 A 15 15 ALA HA H 15 4.110 4.083 0.027 1 1 183 . 18 1 1 A 15 15 ALA C C 15 179.220 179.810 -0.590 1 1 184 . 18 1 1 A 15 15 ALA CA C 15 55.900 54.852 1.048 1 1 185 . 18 1 1 A 15 15 ALA CB C 15 18.430 17.965 0.465 1 1 186 . 18 1 1 A 15 15 ALA N N 15 121.660 122.660 -1.000 1 1 187 . 18 1 1 A 16 16 PHE H H 16 8.700 8.111 0.589 1 1 188 . 18 1 1 A 16 16 PHE HA H 16 3.190 3.873 -0.683 1 1 196 . 18 1 1 A 16 16 PHE C C 16 176.350 178.547 -2.197 1 1 197 . 18 1 1 A 16 16 PHE CA C 16 62.300 59.906 2.394 1 1 198 . 18 1 1 A 16 16 PHE CB C 16 39.800 37.906 1.894 1 1 204 . 18 1 1 A 16 16 PHE N N 16 118.400 116.553 1.847 1 1 205 . 18 1 1 A 17 17 SER H H 17 8.040 7.934 0.106 1 1 206 . 18 1 1 A 17 17 SER HA H 17 4.110 4.138 -0.028 1 1 209 . 18 1 1 A 17 17 SER C C 17 178.820 176.635 2.185 1 1 210 . 18 1 1 A 17 17 SER CA C 17 61.600 61.519 0.081 1 1 211 . 18 1 1 A 17 17 SER CB C 17 63.200 62.852 0.348 1 1 212 . 18 1 1 A 17 17 SER N N 17 114.290 116.489 -2.199 1 1 213 . 18 1 1 A 18 18 LEU H H 18 7.440 7.697 -0.257 1 1 214 . 18 1 1 A 18 18 LEU HA H 18 3.970 3.924 0.046 1 1 224 . 18 1 1 A 18 18 LEU C C 18 178.630 178.127 0.503 1 1 225 . 18 1 1 A 18 18 LEU CA C 18 56.800 57.783 -0.983 1 1 226 . 18 1 1 A 18 18 LEU CB C 18 42.600 41.440 1.160 1 1 230 . 18 1 1 A 18 18 LEU N N 18 118.200 124.421 -6.221 1 1 231 . 18 1 1 A 19 19 PHE H H 19 7.330 6.393 0.937 1 1 232 . 18 1 1 A 19 19 PHE HA H 19 3.950 4.661 -0.711 1 1 240 . 18 1 1 A 19 19 PHE C C 19 174.460 175.351 -0.891 1 1 241 . 18 1 1 A 19 19 PHE CA C 19 59.300 57.104 2.196 1 1 242 . 18 1 1 A 19 19 PHE CB C 19 41.800 39.713 2.087 1 1 248 . 18 1 1 A 19 19 PHE N N 19 114.900 113.459 1.441 1 1 249 . 18 1 1 A 20 20 ASP H H 20 7.780 7.151 0.629 1 1 250 . 18 1 1 A 20 20 ASP HA H 20 4.480 5.112 -0.632 1 1 253 . 18 1 1 A 20 20 ASP C C 20 176.700 175.822 0.878 1 1 254 . 18 1 1 A 20 20 ASP CA C 20 52.400 53.719 -1.319 1 1 255 . 18 1 1 A 20 20 ASP CB C 20 39.400 39.498 -0.098 1 1 256 . 18 1 1 A 20 20 ASP N N 20 117.700 122.373 -4.673 1 1 257 . 18 1 1 A 21 21 LYS H H 21 7.480 8.029 -0.549 1 1 258 . 18 1 1 A 21 21 LYS HA H 21 3.840 4.083 -0.243 1 1 267 . 18 1 1 A 21 21 LYS C C 21 175.550 177.663 -2.113 1 1 268 . 18 1 1 A 21 21 LYS CA C 21 58.300 59.318 -1.018 1 1 269 . 18 1 1 A 21 21 LYS CB C 21 32.600 32.791 -0.191 1 1 273 . 18 1 1 A 21 21 LYS N N 21 124.200 125.318 -1.118 1 1 274 . 18 1 1 A 22 22 ASP H H 22 7.910 7.982 -0.072 1 1 275 . 18 1 1 A 22 22 ASP HA H 22 4.460 4.641 -0.181 1 1 278 . 18 1 1 A 22 22 ASP C C 22 176.920 177.787 -0.867 1 1 279 . 18 1 1 A 22 22 ASP CA C 22 53.400 53.076 0.324 1 1 280 . 18 1 1 A 22 22 ASP CB C 22 39.800 39.796 0.004 1 1 281 . 18 1 1 A 22 22 ASP N N 22 113.500 114.322 -0.822 1 1 282 . 18 1 1 A 23 23 GLY H H 23 7.540 8.000 -0.460 1 1 283 . 18 1 1 A 23 23 GLY HA2 H 23 3.730 3.871 -0.141 1 1 284 . 18 1 1 A 23 23 GLY HA3 H 23 3.730 3.874 -0.144 1 1 285 . 18 1 1 A 23 23 GLY C C 23 178.030 175.129 2.901 1 1 286 . 18 1 1 A 23 23 GLY CA C 23 47.400 47.267 0.133 1 1 287 . 18 1 1 A 23 23 GLY N N 23 109.200 108.914 0.286 1 1 288 . 18 1 1 A 24 24 ASP H H 24 8.430 7.756 0.674 1 1 289 . 18 1 1 A 24 24 ASP HA H 24 4.410 4.583 -0.173 1 1 292 . 18 1 1 A 24 24 ASP C C 24 177.580 177.557 0.023 1 1 293 . 18 1 1 A 24 24 ASP CA C 24 53.770 53.571 0.199 1 1 294 . 18 1 1 A 24 24 ASP CB C 24 40.200 40.362 -0.162 1 1 295 . 18 1 1 A 24 24 ASP N N 24 120.700 120.618 0.082 1 1 296 . 18 1 1 A 25 25 GLY H H 25 10.370 9.552 0.818 1 1 297 . 18 1 1 A 25 25 GLY HA2 H 25 4.240 3.980 0.260 1 1 298 . 18 1 1 A 25 25 GLY HA3 H 25 3.610 3.997 -0.387 1 1 299 . 18 1 1 A 25 25 GLY C C 25 175.160 173.583 1.577 1 1 300 . 18 1 1 A 25 25 GLY CA C 25 45.300 45.406 -0.106 1 1 301 . 18 1 1 A 25 25 GLY N N 25 112.100 112.099 0.001 1 1 302 . 18 1 1 A 26 26 THR H H 26 8.060 7.725 0.335 1 1 303 . 18 1 1 A 26 26 THR HA H 26 5.430 4.939 0.491 1 1 308 . 18 1 1 A 26 26 THR C C 26 177.260 173.336 3.924 1 1 309 . 18 1 1 A 26 26 THR CA C 26 59.500 58.418 1.082 1 1 310 . 18 1 1 A 26 26 THR CB C 26 72.800 73.379 -0.579 1 1 312 . 18 1 1 A 26 26 THR N N 26 110.950 109.771 1.179 1 1 313 . 18 1 1 A 27 27 ILE H H 27 9.890 8.704 1.186 1 1 314 . 18 1 1 A 27 27 ILE HA H 27 4.680 4.857 -0.177 1 1 324 . 18 1 1 A 27 27 ILE C C 27 173.810 175.283 -1.473 1 1 325 . 18 1 1 A 27 27 ILE CA C 27 61.250 60.516 0.734 1 1 326 . 18 1 1 A 27 27 ILE CB C 27 40.700 38.637 2.063 1 1 330 . 18 1 1 A 27 27 ILE N N 27 125.400 124.074 1.326 1 1 331 . 18 1 1 A 28 28 THR H H 28 8.290 9.187 -0.897 1 1 332 . 18 1 1 A 28 28 THR HA H 28 4.680 4.858 -0.178 1 1 337 . 18 1 1 A 28 28 THR C C 28 173.550 176.376 -2.826 1 1 338 . 18 1 1 A 28 28 THR CA C 28 59.200 59.494 -0.294 1 1 339 . 18 1 1 A 28 28 THR CB C 28 72.600 71.422 1.178 1 1 341 . 18 1 1 A 28 28 THR N N 28 116.000 119.599 -3.599 1 1 342 . 18 1 1 A 29 29 THR H H 29 9.180 8.849 0.331 1 1 343 . 18 1 1 A 29 29 THR HA H 29 3.570 3.894 -0.324 1 1 348 . 18 1 1 A 29 29 THR C C 29 176.080 176.921 -0.841 1 1 349 . 18 1 1 A 29 29 THR CA C 29 66.100 66.552 -0.452 1 1 350 . 18 1 1 A 29 29 THR CB C 29 67.650 68.376 -0.726 1 1 352 . 18 1 1 A 29 29 THR N N 29 111.440 114.885 -3.445 1 1 353 . 18 1 1 A 30 30 LYS H H 30 7.340 8.159 -0.819 1 1 354 . 18 1 1 A 30 30 LYS HA H 30 3.960 3.919 0.041 1 1 363 . 18 1 1 A 30 30 LYS C C 30 176.660 179.050 -2.390 1 1 364 . 18 1 1 A 30 30 LYS CA C 30 59.100 59.704 -0.604 1 1 365 . 18 1 1 A 30 30 LYS CB C 30 32.700 32.436 0.264 1 1 369 . 18 1 1 A 30 30 LYS N N 30 120.350 121.849 -1.499 1 1 370 . 18 1 1 A 31 31 GLU H H 31 7.760 8.339 -0.579 1 1 371 . 18 1 1 A 31 31 GLU HA H 31 4.000 4.112 -0.112 1 1 376 . 18 1 1 A 31 31 GLU C C 31 177.230 179.017 -1.787 1 1 377 . 18 1 1 A 31 31 GLU CA C 31 59.600 59.009 0.591 1 1 378 . 18 1 1 A 31 31 GLU CB C 31 29.600 28.471 1.129 1 1 380 . 18 1 1 A 31 31 GLU N N 31 122.300 117.581 4.719 1 1 381 . 18 1 1 A 32 32 LEU H H 32 8.370 8.258 0.112 1 1 382 . 18 1 1 A 32 32 LEU HA H 32 4.060 3.884 0.176 1 1 392 . 18 1 1 A 32 32 LEU C C 32 179.400 178.643 0.757 1 1 393 . 18 1 1 A 32 32 LEU CA C 32 57.550 57.935 -0.385 1 1 394 . 18 1 1 A 32 32 LEU CB C 32 41.700 41.975 -0.275 1 1 398 . 18 1 1 A 32 32 LEU N N 32 120.100 123.050 -2.950 1 1 399 . 18 1 1 A 33 33 GLY H H 33 8.650 8.054 0.596 1 1 400 . 18 1 1 A 33 33 GLY HA2 H 33 3.450 3.811 -0.361 1 1 401 . 18 1 1 A 33 33 GLY HA3 H 33 3.800 3.812 -0.012 1 1 402 . 18 1 1 A 33 33 GLY C C 33 179.640 176.235 3.405 1 1 403 . 18 1 1 A 33 33 GLY CA C 33 48.300 47.710 0.590 1 1 404 . 18 1 1 A 33 33 GLY N N 33 105.700 106.143 -0.443 1 1 405 . 18 1 1 A 34 34 THR H H 34 8.070 7.887 0.183 1 1 406 . 18 1 1 A 34 34 THR HA H 34 3.790 4.022 -0.232 1 1 411 . 18 1 1 A 34 34 THR C C 34 178.670 176.080 2.590 1 1 412 . 18 1 1 A 34 34 THR CA C 34 67.300 66.994 0.306 1 1 413 . 18 1 1 A 34 34 THR CB C 34 68.700 68.637 0.063 1 1 415 . 18 1 1 A 34 34 THR N N 34 118.140 118.791 -0.651 1 1 416 . 18 1 1 A 35 35 VAL H H 35 7.510 7.821 -0.311 1 1 417 . 18 1 1 A 35 35 VAL HA H 35 3.480 3.570 -0.090 1 1 425 . 18 1 1 A 35 35 VAL C C 35 175.050 177.645 -2.595 1 1 426 . 18 1 1 A 35 35 VAL CA C 35 66.500 66.764 -0.264 1 1 427 . 18 1 1 A 35 35 VAL CB C 35 31.400 31.339 0.061 1 1 430 . 18 1 1 A 35 35 VAL N N 35 121.400 122.004 -0.604 1 1 431 . 18 1 1 A 36 36 MET H H 36 8.530 7.989 0.541 1 1 432 . 18 1 1 A 36 36 MET HA H 36 3.590 4.114 -0.524 1 1 440 . 18 1 1 A 36 36 MET C C 36 177.410 177.805 -0.395 1 1 441 . 18 1 1 A 36 36 MET CA C 36 61.900 58.539 3.361 1 1 442 . 18 1 1 A 36 36 MET CB C 36 32.600 31.106 1.494 1 1 445 . 18 1 1 A 36 36 MET N N 36 118.970 118.026 0.944 1 1 446 . 18 1 1 A 37 37 ARG H H 37 8.600 8.340 0.260 1 1 447 . 18 1 1 A 37 37 ARG HA H 37 4.720 4.208 0.512 1 1 454 . 18 1 1 A 37 37 ARG C C 37 179.250 179.252 -0.002 1 1 455 . 18 1 1 A 37 37 ARG CA C 37 59.450 59.425 0.025 1 1 456 . 18 1 1 A 37 37 ARG CB C 37 30.200 30.090 0.110 1 1 459 . 18 1 1 A 37 37 ARG N N 37 118.400 120.306 -1.906 1 1 460 . 18 1 1 A 38 38 SER H H 38 7.830 7.866 -0.036 1 1 461 . 18 1 1 A 38 38 SER HA H 38 4.240 4.316 -0.076 1 1 464 . 18 1 1 A 38 38 SER C C 38 178.480 175.966 2.514 1 1 465 . 18 1 1 A 38 38 SER CA C 38 62.100 61.901 0.199 1 1 466 . 18 1 1 A 38 38 SER CB C 38 63.400 63.031 0.369 1 1 467 . 18 1 1 A 38 38 SER N N 38 119.400 116.859 2.541 1 1 468 . 18 1 1 A 39 39 LEU H H 39 7.280 8.049 -0.769 1 1 469 . 18 1 1 A 39 39 LEU HA H 39 4.360 4.470 -0.110 1 1 479 . 18 1 1 A 39 39 LEU C C 39 178.240 176.749 1.491 1 1 480 . 18 1 1 A 39 39 LEU CA C 39 54.300 55.557 -1.257 1 1 481 . 18 1 1 A 39 39 LEU CB C 39 42.100 42.812 -0.712 1 1 485 . 18 1 1 A 39 39 LEU N N 39 119.950 121.196 -1.246 1 1 486 . 18 1 1 A 40 40 GLY H H 40 7.740 8.200 -0.460 1 1 487 . 18 1 1 A 40 40 GLY HA2 H 40 4.140 3.935 0.205 1 1 488 . 18 1 1 A 40 40 GLY HA3 H 40 3.650 3.940 -0.290 1 1 489 . 18 1 1 A 40 40 GLY C C 40 176.140 173.889 2.251 1 1 490 . 18 1 1 A 40 40 GLY CA C 40 45.300 45.733 -0.433 1 1 491 . 18 1 1 A 40 40 GLY N N 40 105.750 108.282 -2.532 1 1 492 . 18 1 1 A 41 41 GLN H H 41 7.710 7.324 0.386 1 1 493 . 18 1 1 A 41 41 GLN HA H 41 4.360 4.701 -0.341 1 1 500 . 18 1 1 A 41 41 GLN C C 41 176.700 174.675 2.025 1 1 501 . 18 1 1 A 41 41 GLN CA C 41 54.900 54.151 0.749 1 1 502 . 18 1 1 A 41 41 GLN CB C 41 29.600 30.927 -1.327 1 1 504 . 18 1 1 A 41 41 GLN N N 41 118.400 119.246 -0.846 1 1 506 . 18 1 1 A 42 42 ASN H H 42 8.640 8.752 -0.112 1 1 507 . 18 1 1 A 42 42 ASN HA H 42 5.150 5.216 -0.066 1 1 512 . 18 1 1 A 42 42 ASN CA C 42 51.200 50.687 0.513 1 1 513 . 18 1 1 A 42 42 ASN CB C 42 39.500 38.597 0.903 1 1 514 . 18 1 1 A 42 42 ASN N N 42 115.610 117.865 -2.255 1 1 516 . 18 1 1 A 43 43 PRO HA H 43 4.540 4.602 -0.062 1 1 523 . 18 1 1 A 43 43 PRO C C 43 179.440 176.885 2.555 1 1 524 . 18 1 1 A 43 43 PRO CA C 43 62.450 62.832 -0.382 1 1 525 . 18 1 1 A 43 43 PRO CB C 43 31.500 31.844 -0.344 1 1 528 . 18 1 1 A 44 44 THR H H 44 8.660 8.068 0.592 1 1 529 . 18 1 1 A 44 44 THR HA H 44 4.340 4.508 -0.168 1 1 534 . 18 1 1 A 44 44 THR CA C 44 60.450 60.495 -0.045 1 1 535 . 18 1 1 A 44 44 THR CB C 44 71.400 70.993 0.407 1 1 537 . 18 1 1 A 44 44 THR N N 44 112.600 112.976 -0.376 1 1 538 . 18 1 1 A 45 45 GLU H H 45 8.720 9.058 -0.338 1 1 539 . 18 1 1 A 45 45 GLU HA H 45 3.870 4.057 -0.187 1 1 544 . 18 1 1 A 45 45 GLU C C 45 174.270 178.590 -4.320 1 1 545 . 18 1 1 A 45 45 GLU CA C 45 59.900 59.308 0.592 1 1 546 . 18 1 1 A 45 45 GLU CB C 45 29.200 29.196 0.004 1 1 548 . 18 1 1 A 45 45 GLU N N 45 120.150 120.860 -0.710 1 1 549 . 18 1 1 A 46 46 ALA H H 46 8.200 8.301 -0.101 1 1 550 . 18 1 1 A 46 46 ALA HA H 46 3.980 4.035 -0.055 1 1 554 . 18 1 1 A 46 46 ALA C C 46 175.180 180.054 -4.874 1 1 555 . 18 1 1 A 46 46 ALA CA C 46 55.100 54.859 0.241 1 1 556 . 18 1 1 A 46 46 ALA CB C 46 18.300 18.233 0.067 1 1 557 . 18 1 1 A 46 46 ALA N N 46 120.450 121.920 -1.470 1 1 558 . 18 1 1 A 47 47 GLU H H 47 7.630 7.805 -0.175 1 1 559 . 18 1 1 A 47 47 GLU HA H 47 3.890 4.123 -0.233 1 1 564 . 18 1 1 A 47 47 GLU C C 47 179.020 178.939 0.081 1 1 565 . 18 1 1 A 47 47 GLU CA C 47 59.500 58.691 0.809 1 1 566 . 18 1 1 A 47 47 GLU CB C 47 29.600 29.538 0.062 1 1 568 . 18 1 1 A 47 47 GLU N N 47 118.320 118.478 -0.158 1 1 569 . 18 1 1 A 48 48 LEU H H 48 7.880 8.183 -0.303 1 1 570 . 18 1 1 A 48 48 LEU HA H 48 3.790 3.960 -0.170 1 1 580 . 18 1 1 A 48 48 LEU C C 48 180.200 179.884 0.316 1 1 581 . 18 1 1 A 48 48 LEU CA C 48 58.150 57.933 0.217 1 1 582 . 18 1 1 A 48 48 LEU CB C 48 42.800 41.723 1.077 1 1 586 . 18 1 1 A 48 48 LEU N N 48 119.000 120.088 -1.088 1 1 587 . 18 1 1 A 49 49 GLN H H 49 8.080 8.269 -0.189 1 1 588 . 18 1 1 A 49 49 GLN HA H 49 3.630 3.994 -0.364 1 1 595 . 18 1 1 A 49 49 GLN C C 49 177.680 177.563 0.117 1 1 596 . 18 1 1 A 49 49 GLN CA C 49 58.600 58.888 -0.288 1 1 597 . 18 1 1 A 49 49 GLN CB C 49 28.500 28.479 0.021 1 1 599 . 18 1 1 A 49 49 GLN N N 49 117.400 118.966 -1.566 1 1 601 . 18 1 1 A 50 50 ASP H H 50 7.960 8.234 -0.274 1 1 602 . 18 1 1 A 50 50 ASP HA H 50 4.300 4.296 0.004 1 1 605 . 18 1 1 A 50 50 ASP C C 50 178.470 178.443 0.027 1 1 606 . 18 1 1 A 50 50 ASP CA C 50 57.700 57.907 -0.207 1 1 607 . 18 1 1 A 50 50 ASP CB C 50 40.600 41.867 -1.267 1 1 608 . 18 1 1 A 50 50 ASP N N 50 119.050 119.527 -0.477 1 1 609 . 18 1 1 A 51 51 MET H H 51 7.750 8.250 -0.500 1 1 610 . 18 1 1 A 51 51 MET HA H 51 4.000 4.184 -0.184 1 1 618 . 18 1 1 A 51 51 MET C C 51 178.170 178.697 -0.527 1 1 619 . 18 1 1 A 51 51 MET CA C 51 59.500 58.387 1.113 1 1 620 . 18 1 1 A 51 51 MET CB C 51 34.700 32.928 1.772 1 1 623 . 18 1 1 A 51 51 MET N N 51 117.900 117.730 0.170 1 1 624 . 18 1 1 A 52 52 ILE H H 52 7.580 7.921 -0.341 1 1 625 . 18 1 1 A 52 52 ILE HA H 52 3.620 3.507 0.113 1 1 635 . 18 1 1 A 52 52 ILE C C 52 178.690 177.715 0.975 1 1 636 . 18 1 1 A 52 52 ILE CA C 52 63.600 65.257 -1.657 1 1 637 . 18 1 1 A 52 52 ILE CB C 52 36.700 37.856 -1.156 1 1 641 . 18 1 1 A 52 52 ILE N N 52 116.850 119.120 -2.270 1 1 642 . 18 1 1 A 53 53 ASN H H 53 8.570 8.429 0.141 1 1 643 . 18 1 1 A 53 53 ASN HA H 53 4.310 4.426 -0.116 1 1 648 . 18 1 1 A 53 53 ASN CA C 53 56.400 56.471 -0.071 1 1 649 . 18 1 1 A 53 53 ASN CB C 53 38.300 37.962 0.338 1 1 650 . 18 1 1 A 53 53 ASN N N 53 116.900 118.107 -1.207 1 1 652 . 18 1 1 A 54 54 GLU H H 54 7.520 7.816 -0.296 1 1 653 . 18 1 1 A 54 54 GLU HA H 54 3.950 4.112 -0.162 1 1 658 . 18 1 1 A 54 54 GLU C C 54 178.070 178.541 -0.471 1 1 659 . 18 1 1 A 54 54 GLU CA C 54 59.000 58.925 0.075 1 1 660 . 18 1 1 A 54 54 GLU CB C 54 29.800 29.591 0.209 1 1 662 . 18 1 1 A 54 54 GLU N N 54 115.650 119.426 -3.776 1 1 663 . 18 1 1 A 55 55 VAL H H 55 7.020 7.195 -0.175 1 1 664 . 18 1 1 A 55 55 VAL HA H 55 4.110 4.006 0.104 1 1 672 . 18 1 1 A 55 55 VAL C C 55 177.890 176.279 1.611 1 1 673 . 18 1 1 A 55 55 VAL CA C 55 61.210 64.611 -3.401 1 1 674 . 18 1 1 A 55 55 VAL CB C 55 33.100 32.051 1.049 1 1 677 . 18 1 1 A 55 55 VAL N N 55 111.500 119.314 -7.814 1 1 678 . 18 1 1 A 56 56 ASP H H 56 7.460 7.874 -0.414 1 1 679 . 18 1 1 A 56 56 ASP HA H 56 4.360 4.633 -0.273 1 1 682 . 18 1 1 A 56 56 ASP C C 56 177.620 176.619 1.001 1 1 683 . 18 1 1 A 56 56 ASP CA C 56 53.550 53.648 -0.098 1 1 684 . 18 1 1 A 56 56 ASP CB C 56 40.600 40.509 0.091 1 1 685 . 18 1 1 A 56 56 ASP N N 56 121.330 121.745 -0.415 1 1 686 . 18 1 1 A 57 57 ALA H H 57 7.780 8.284 -0.504 1 1 687 . 18 1 1 A 57 57 ALA HA H 57 4.080 4.076 0.004 1 1 691 . 18 1 1 A 57 57 ALA C C 57 175.320 178.399 -3.079 1 1 692 . 18 1 1 A 57 57 ALA CA C 57 55.000 55.044 -0.044 1 1 693 . 18 1 1 A 57 57 ALA CB C 57 19.800 18.543 1.257 1 1 694 . 18 1 1 A 57 57 ALA N N 57 130.400 128.130 2.270 1 1 695 . 18 1 1 A 58 58 ASP H H 58 8.140 8.082 0.058 1 1 696 . 18 1 1 A 58 58 ASP HA H 58 4.540 4.574 -0.034 1 1 699 . 18 1 1 A 58 58 ASP C C 58 176.130 177.506 -1.376 1 1 700 . 18 1 1 A 58 58 ASP CA C 58 52.950 53.214 -0.264 1 1 701 . 18 1 1 A 58 58 ASP CB C 58 40.100 40.051 0.049 1 1 702 . 18 1 1 A 58 58 ASP N N 58 113.200 113.137 0.063 1 1 703 . 18 1 1 A 59 59 GLY H H 59 7.530 7.625 -0.095 1 1 704 . 18 1 1 A 59 59 GLY HA2 H 59 3.700 3.918 -0.218 1 1 705 . 18 1 1 A 59 59 GLY HA3 H 59 3.820 3.919 -0.099 1 1 706 . 18 1 1 A 59 59 GLY C C 59 178.830 175.285 3.545 1 1 707 . 18 1 1 A 59 59 GLY CA C 59 47.450 46.929 0.521 1 1 708 . 18 1 1 A 59 59 GLY N N 59 108.180 109.282 -1.102 1 1 709 . 18 1 1 A 60 60 ASN H H 60 8.080 8.691 -0.611 1 1 710 . 18 1 1 A 60 60 ASN HA H 60 4.500 4.680 -0.180 1 1 715 . 18 1 1 A 60 60 ASN CA C 60 52.900 52.629 0.271 1 1 716 . 18 1 1 A 60 60 ASN CB C 60 37.900 37.860 0.040 1 1 717 . 18 1 1 A 60 60 ASN N N 60 118.700 118.563 0.137 1 1 719 . 18 1 1 A 61 61 GLY H H 61 10.640 10.258 0.382 1 1 720 . 18 1 1 A 61 61 GLY HA2 H 61 3.370 3.890 -0.520 1 1 721 . 18 1 1 A 61 61 GLY HA3 H 61 4.190 3.893 0.297 1 1 722 . 18 1 1 A 61 61 GLY C C 61 174.970 173.446 1.524 1 1 723 . 18 1 1 A 61 61 GLY CA C 61 45.300 45.364 -0.064 1 1 724 . 18 1 1 A 61 61 GLY N N 61 113.400 112.086 1.314 1 1 725 . 18 1 1 A 62 62 THR H H 62 7.550 7.775 -0.225 1 1 726 . 18 1 1 A 62 62 THR HA H 62 4.620 4.953 -0.333 1 1 731 . 18 1 1 A 62 62 THR C C 62 176.870 172.478 4.392 1 1 732 . 18 1 1 A 62 62 THR CA C 62 59.550 59.765 -0.215 1 1 733 . 18 1 1 A 62 62 THR CB C 62 72.500 72.653 -0.153 1 1 735 . 18 1 1 A 62 62 THR N N 62 107.860 109.794 -1.934 1 1 736 . 18 1 1 A 63 63 ILE H H 63 8.790 8.375 0.415 1 1 737 . 18 1 1 A 63 63 ILE HA H 63 5.280 5.020 0.260 1 1 747 . 18 1 1 A 63 63 ILE C C 63 173.250 175.102 -1.852 1 1 748 . 18 1 1 A 63 63 ILE CA C 63 57.600 59.966 -2.366 1 1 749 . 18 1 1 A 63 63 ILE CB C 63 39.400 40.134 -0.734 1 1 753 . 18 1 1 A 63 63 ILE N N 63 123.900 120.989 2.911 1 1 754 . 18 1 1 A 64 64 ASP H H 64 8.720 8.962 -0.242 1 1 755 . 18 1 1 A 64 64 ASP HA H 64 5.350 5.042 0.308 1 1 758 . 18 1 1 A 64 64 ASP C C 64 172.850 177.919 -5.069 1 1 759 . 18 1 1 A 64 64 ASP CA C 64 52.100 52.767 -0.667 1 1 760 . 18 1 1 A 64 64 ASP CB C 64 42.150 43.071 -0.921 1 1 761 . 18 1 1 A 64 64 ASP N N 64 127.860 126.967 0.893 1 1 762 . 18 1 1 A 65 65 PHE H H 65 8.840 9.219 -0.379 1 1 763 . 18 1 1 A 65 65 PHE HA H 65 3.890 4.836 -0.946 1 1 771 . 18 1 1 A 65 65 PHE C C 65 175.750 175.103 0.647 1 1 772 . 18 1 1 A 65 65 PHE CA C 65 63.300 64.074 -0.774 1 1 773 . 18 1 1 A 65 65 PHE CB C 65 36.100 37.524 -1.424 1 1 779 . 18 1 1 A 65 65 PHE N N 65 117.500 122.883 -5.383 1 1 780 . 18 1 1 A 66 66 PRO HA H 66 3.770 4.332 -0.562 1 1 787 . 18 1 1 A 66 66 PRO C C 66 175.840 179.466 -3.626 1 1 788 . 18 1 1 A 66 66 PRO CA C 66 67.100 66.457 0.643 1 1 789 . 18 1 1 A 66 66 PRO CB C 66 30.700 30.882 -0.182 1 1 792 . 18 1 1 A 67 67 GLU H H 67 8.340 8.779 -0.439 1 1 793 . 18 1 1 A 67 67 GLU HA H 67 3.920 4.136 -0.216 1 1 798 . 18 1 1 A 67 67 GLU CA C 67 59.400 59.159 0.241 1 1 799 . 18 1 1 A 67 67 GLU CB C 67 29.650 29.130 0.520 1 1 801 . 18 1 1 A 67 67 GLU N N 67 117.850 117.846 0.004 1 1 802 . 18 1 1 A 68 68 PHE H H 68 8.630 8.384 0.246 1 1 803 . 18 1 1 A 68 68 PHE HA H 68 3.670 4.208 -0.538 1 1 811 . 18 1 1 A 68 68 PHE C C 68 174.810 177.421 -2.611 1 1 812 . 18 1 1 A 68 68 PHE CA C 68 61.400 61.311 0.089 1 1 813 . 18 1 1 A 68 68 PHE CB C 68 40.700 39.392 1.308 1 1 819 . 18 1 1 A 68 68 PHE N N 68 123.200 123.362 -0.162 1 1 820 . 18 1 1 A 69 69 LEU H H 69 8.800 8.751 0.049 1 1 821 . 18 1 1 A 69 69 LEU HA H 69 3.130 3.972 -0.842 1 1 831 . 18 1 1 A 69 69 LEU C C 69 179.310 179.094 0.216 1 1 832 . 18 1 1 A 69 69 LEU CA C 69 58.000 58.250 -0.250 1 1 833 . 18 1 1 A 69 69 LEU CB C 69 41.550 41.724 -0.174 1 1 837 . 18 1 1 A 69 69 LEU N N 69 119.930 120.166 -0.236 1 1 838 . 18 1 1 A 70 70 THR H H 70 7.550 7.994 -0.444 1 1 839 . 18 1 1 A 70 70 THR HA H 70 3.530 4.038 -0.508 1 1 844 . 18 1 1 A 70 70 THR C C 70 180.360 177.271 3.089 1 1 845 . 18 1 1 A 70 70 THR CA C 70 66.700 65.428 1.272 1 1 846 . 18 1 1 A 70 70 THR CB C 70 68.500 68.130 0.370 1 1 848 . 18 1 1 A 70 70 THR N N 70 114.730 111.395 3.335 1 1 849 . 18 1 1 A 71 71 MET H H 71 7.000 7.990 -0.990 1 1 850 . 18 1 1 A 71 71 MET HA H 71 3.640 4.149 -0.509 1 1 858 . 18 1 1 A 71 71 MET C C 71 176.750 178.469 -1.719 1 1 859 . 18 1 1 A 71 71 MET CA C 71 58.800 58.127 0.673 1 1 860 . 18 1 1 A 71 71 MET CB C 71 32.000 32.699 -0.699 1 1 863 . 18 1 1 A 71 71 MET N N 71 119.750 120.744 -0.994 1 1 864 . 18 1 1 A 72 72 MET H H 72 7.810 8.195 -0.385 1 1 865 . 18 1 1 A 72 72 MET HA H 72 3.880 4.241 -0.361 1 1 873 . 18 1 1 A 72 72 MET C C 72 174.850 178.484 -3.634 1 1 874 . 18 1 1 A 72 72 MET CA C 72 55.100 59.001 -3.901 1 1 875 . 18 1 1 A 72 72 MET CB C 72 28.900 32.811 -3.911 1 1 878 . 18 1 1 A 72 72 MET N N 72 115.300 118.642 -3.342 1 1 879 . 18 1 1 A 73 73 ALA H H 73 7.880 8.167 -0.287 1 1 880 . 18 1 1 A 73 73 ALA HA H 73 3.990 4.298 -0.308 1 1 884 . 18 1 1 A 73 73 ALA C C 73 177.940 178.855 -0.915 1 1 885 . 18 1 1 A 73 73 ALA CA C 73 53.900 55.047 -1.147 1 1 886 . 18 1 1 A 73 73 ALA CB C 73 18.600 18.317 0.283 1 1 887 . 18 1 1 A 73 73 ALA N N 73 120.000 121.048 -1.048 1 1 888 . 18 1 1 A 74 74 ARG H H 74 7.050 7.276 -0.226 1 1 889 . 18 1 1 A 74 74 ARG HA H 74 4.040 4.375 -0.335 1 1 896 . 18 1 1 A 74 74 ARG C C 74 178.910 176.800 2.110 1 1 897 . 18 1 1 A 74 74 ARG CA C 74 57.400 56.395 1.005 1 1 898 . 18 1 1 A 74 74 ARG CB C 74 30.900 30.538 0.362 1 1 901 . 18 1 1 A 74 74 ARG N N 74 115.850 115.588 0.262 1 1 902 . 18 1 1 A 75 75 LYS H H 75 7.820 7.703 0.117 1 1 903 . 18 1 1 A 75 75 LYS HA H 75 4.200 4.324 -0.124 1 1 912 . 18 1 1 A 75 75 LYS C C 75 178.770 176.585 2.185 1 1 913 . 18 1 1 A 75 75 LYS CA C 75 55.900 55.178 0.722 1 1 914 . 18 1 1 A 75 75 LYS CB C 75 32.600 30.877 1.723 1 1 918 . 18 1 1 A 75 75 LYS N N 75 119.600 121.281 -1.681 1 1 919 . 18 1 1 A 76 76 MET H H 76 8.100 8.221 -0.121 1 1 920 . 18 1 1 A 76 76 MET HA H 76 4.300 4.855 -0.555 1 1 928 . 18 1 1 A 76 76 MET C C 76 176.990 175.922 1.068 1 1 929 . 18 1 1 A 76 76 MET CA C 76 55.800 53.970 1.830 1 1 930 . 18 1 1 A 76 76 MET CB C 76 33.800 32.957 0.843 1 1 933 . 18 1 1 A 76 76 MET N N 76 122.300 124.389 -2.089 1 1 934 . 18 1 1 A 77 77 LYS H H 77 8.150 7.523 0.627 1 1 935 . 18 1 1 A 77 77 LYS HA H 77 4.210 4.117 0.093 1 1 944 . 18 1 1 A 77 77 LYS C C 77 176.890 175.063 1.827 1 1 945 . 18 1 1 A 77 77 LYS CA C 77 56.100 56.882 -0.782 1 1 946 . 18 1 1 A 77 77 LYS CB C 77 33.000 32.823 0.177 1 1 950 . 18 1 1 A 77 77 LYS N N 77 121.300 122.536 -1.236 1 1 951 . 18 1 1 A 78 78 ASP H H 78 8.240 8.726 -0.486 1 1 952 . 18 1 1 A 78 78 ASP HA H 78 4.500 5.386 -0.886 1 1 955 . 18 1 1 A 78 78 ASP C C 78 176.090 174.196 1.894 1 1 956 . 18 1 1 A 78 78 ASP CA C 78 54.700 52.997 1.703 1 1 957 . 18 1 1 A 78 78 ASP CB C 78 41.300 44.552 -3.252 1 1 958 . 18 1 1 A 78 78 ASP N N 78 122.200 126.644 -4.444 1 1 959 . 18 1 1 A 79 79 THR H H 79 8.150 8.722 -0.572 1 1 960 . 18 1 1 A 79 79 THR HA H 79 4.220 4.950 -0.730 1 1 965 . 18 1 1 A 79 79 THR C C 79 176.240 172.036 4.204 1 1 966 . 18 1 1 A 79 79 THR CA C 79 61.500 60.260 1.240 1 1 967 . 18 1 1 A 79 79 THR CB C 79 70.300 72.219 -1.919 1 1 969 . 18 1 1 A 79 79 THR N N 79 114.940 115.667 -0.727 1 1 970 . 18 1 1 A 80 80 ASP H H 80 8.480 8.549 -0.069 1 1 971 . 18 1 1 A 80 80 ASP HA H 80 4.600 4.595 0.005 1 1 974 . 18 1 1 A 80 80 ASP C C 80 176.230 177.402 -1.172 1 1 975 . 18 1 1 A 80 80 ASP CA C 80 54.100 54.736 -0.636 1 1 976 . 18 1 1 A 80 80 ASP CB C 80 41.600 42.116 -0.516 1 1 977 . 18 1 1 A 80 80 ASP N N 80 123.800 127.146 -3.346 1 1 978 . 18 1 1 A 81 81 SER H H 81 8.500 8.982 -0.482 1 1 979 . 18 1 1 A 81 81 SER HA H 81 4.220 4.098 0.122 1 1 982 . 18 1 1 A 81 81 SER C C 81 173.900 176.639 -2.739 1 1 983 . 18 1 1 A 81 81 SER CA C 81 60.400 61.705 -1.305 1 1 984 . 18 1 1 A 81 81 SER CB C 81 63.700 62.688 1.012 1 1 985 . 18 1 1 A 81 81 SER N N 81 118.450 122.635 -4.185 1 1 986 . 18 1 1 A 82 82 GLU H H 82 8.430 8.062 0.368 1 1 987 . 18 1 1 A 82 82 GLU HA H 82 4.010 4.171 -0.161 1 1 992 . 18 1 1 A 82 82 GLU C C 82 176.370 179.240 -2.870 1 1 993 . 18 1 1 A 82 82 GLU CA C 82 59.100 59.294 -0.194 1 1 994 . 18 1 1 A 82 82 GLU CB C 82 29.600 29.134 0.466 1 1 996 . 18 1 1 A 82 82 GLU N N 82 121.850 120.917 0.933 1 1 997 . 18 1 1 A 83 83 GLU H H 83 8.020 8.985 -0.965 1 1 998 . 18 1 1 A 83 83 GLU HA H 83 4.040 4.037 0.003 1 1 1003 . 18 1 1 A 83 83 GLU C C 83 175.890 178.875 -2.985 1 1 1004 . 18 1 1 A 83 83 GLU CA C 83 58.800 59.516 -0.716 1 1 1005 . 18 1 1 A 83 83 GLU CB C 83 29.400 29.122 0.278 1 1 1007 . 18 1 1 A 83 83 GLU N N 83 119.470 119.656 -0.186 1 1 1008 . 18 1 1 A 84 84 GLU H H 84 7.930 7.890 0.040 1 1 1009 . 18 1 1 A 84 84 GLU HA H 84 4.150 4.162 -0.012 1 1 1014 . 18 1 1 A 84 84 GLU C C 84 176.160 179.448 -3.288 1 1 1015 . 18 1 1 A 84 84 GLU CA C 84 59.400 58.784 0.616 1 1 1016 . 18 1 1 A 84 84 GLU CB C 84 29.600 29.480 0.120 1 1 1018 . 18 1 1 A 84 84 GLU N N 84 118.310 119.437 -1.127 1 1 1019 . 18 1 1 A 85 85 ILE H H 85 7.880 8.025 -0.145 1 1 1020 . 18 1 1 A 85 85 ILE HA H 85 3.880 3.710 0.170 1 1 1030 . 18 1 1 A 85 85 ILE C C 85 179.870 177.592 2.278 1 1 1031 . 18 1 1 A 85 85 ILE CA C 85 65.400 65.000 0.400 1 1 1032 . 18 1 1 A 85 85 ILE CB C 85 37.400 37.678 -0.278 1 1 1036 . 18 1 1 A 85 85 ILE N N 85 120.900 120.843 0.057 1 1 1037 . 18 1 1 A 86 86 ARG H H 86 7.990 7.815 0.175 1 1 1038 . 18 1 1 A 86 86 ARG HA H 86 4.030 4.027 0.003 1 1 1045 . 18 1 1 A 86 86 ARG C C 86 180.520 179.279 1.241 1 1 1046 . 18 1 1 A 86 86 ARG CA C 86 60.200 60.059 0.141 1 1 1047 . 18 1 1 A 86 86 ARG CB C 86 29.800 29.833 -0.033 1 1 1050 . 18 1 1 A 86 86 ARG N N 86 121.000 119.535 1.465 1 1 1051 . 18 1 1 A 87 87 GLU H H 87 8.350 8.571 -0.221 1 1 1052 . 18 1 1 A 87 87 GLU HA H 87 3.900 4.089 -0.189 1 1 1057 . 18 1 1 A 87 87 GLU C C 87 177.380 179.533 -2.153 1 1 1058 . 18 1 1 A 87 87 GLU CA C 87 59.600 59.418 0.182 1 1 1059 . 18 1 1 A 87 87 GLU CB C 87 29.500 29.854 -0.354 1 1 1061 . 18 1 1 A 87 87 GLU N N 87 117.860 119.726 -1.866 1 1 1062 . 18 1 1 A 88 88 ALA H H 88 7.880 7.824 0.056 1 1 1063 . 18 1 1 A 88 88 ALA HA H 88 4.060 4.249 -0.189 1 1 1067 . 18 1 1 A 88 88 ALA C C 88 178.580 179.719 -1.139 1 1 1068 . 18 1 1 A 88 88 ALA CA C 88 55.200 54.790 0.410 1 1 1069 . 18 1 1 A 88 88 ALA CB C 88 17.900 18.356 -0.456 1 1 1070 . 18 1 1 A 88 88 ALA N N 88 120.100 122.396 -2.296 1 1 1071 . 18 1 1 A 89 89 PHE H H 89 8.550 7.840 0.710 1 1 1072 . 18 1 1 A 89 89 PHE HA H 89 4.000 3.681 0.319 1 1 1080 . 18 1 1 A 89 89 PHE C C 89 179.770 177.266 2.504 1 1 1081 . 18 1 1 A 89 89 PHE CA C 89 61.800 61.320 0.480 1 1 1082 . 18 1 1 A 89 89 PHE CB C 89 39.130 38.918 0.212 1 1 1088 . 18 1 1 A 89 89 PHE N N 89 118.760 119.319 -0.559 1 1 1089 . 18 1 1 A 90 90 ARG H H 90 7.750 7.805 -0.055 1 1 1090 . 18 1 1 A 90 90 ARG HA H 90 3.760 4.028 -0.268 1 1 1097 . 18 1 1 A 90 90 ARG C C 90 179.090 178.775 0.315 1 1 1098 . 18 1 1 A 90 90 ARG CA C 90 58.800 59.171 -0.371 1 1 1099 . 18 1 1 A 90 90 ARG CB C 90 30.500 29.789 0.711 1 1 1102 . 18 1 1 A 90 90 ARG N N 90 115.100 118.536 -3.436 1 1 1103 . 18 1 1 A 91 91 VAL H H 91 7.270 7.574 -0.304 1 1 1104 . 18 1 1 A 91 91 VAL HA H 91 3.360 3.559 -0.199 1 1 1112 . 18 1 1 A 91 91 VAL C C 91 179.060 178.023 1.037 1 1 1113 . 18 1 1 A 91 91 VAL CA C 91 66.050 66.378 -0.328 1 1 1114 . 18 1 1 A 91 91 VAL CB C 91 31.200 31.700 -0.500 1 1 1117 . 18 1 1 A 91 91 VAL N N 91 117.450 119.506 -2.056 1 1 1118 . 18 1 1 A 92 92 PHE H H 92 7.000 7.733 -0.733 1 1 1119 . 18 1 1 A 92 92 PHE HA H 92 4.070 4.149 -0.079 1 1 1127 . 18 1 1 A 92 92 PHE C C 92 177.490 176.365 1.125 1 1 1128 . 18 1 1 A 92 92 PHE CA C 92 60.700 59.946 0.754 1 1 1129 . 18 1 1 A 92 92 PHE CB C 92 38.000 39.460 -1.460 1 1 1135 . 18 1 1 A 92 92 PHE N N 92 114.400 118.485 -4.085 1 1 1136 . 18 1 1 A 93 93 ASP H H 93 7.870 8.185 -0.315 1 1 1137 . 18 1 1 A 93 93 ASP HA H 93 4.450 4.471 -0.021 1 1 1140 . 18 1 1 A 93 93 ASP C C 93 176.830 176.257 0.573 1 1 1141 . 18 1 1 A 93 93 ASP CA C 93 52.300 52.282 0.018 1 1 1142 . 18 1 1 A 93 93 ASP CB C 93 38.800 39.046 -0.246 1 1 1143 . 18 1 1 A 93 93 ASP N N 93 115.100 117.002 -1.902 1 1 1144 . 18 1 1 A 94 94 LYS H H 94 7.510 7.822 -0.312 1 1 1145 . 18 1 1 A 94 94 LYS HA H 94 3.770 3.778 -0.008 1 1 1154 . 18 1 1 A 94 94 LYS C C 94 176.650 177.705 -1.055 1 1 1155 . 18 1 1 A 94 94 LYS CA C 94 59.400 59.880 -0.480 1 1 1156 . 18 1 1 A 94 94 LYS CB C 94 32.800 32.119 0.681 1 1 1160 . 18 1 1 A 94 94 LYS N N 94 124.250 126.594 -2.344 1 1 1161 . 18 1 1 A 95 95 ASP H H 95 8.190 7.666 0.524 1 1 1162 . 18 1 1 A 95 95 ASP HA H 95 4.430 4.595 -0.165 1 1 1165 . 18 1 1 A 95 95 ASP C C 95 177.580 177.608 -0.028 1 1 1166 . 18 1 1 A 95 95 ASP CA C 95 53.600 53.181 0.419 1 1 1167 . 18 1 1 A 95 95 ASP CB C 95 39.900 39.925 -0.025 1 1 1168 . 18 1 1 A 95 95 ASP N N 95 113.600 114.930 -1.330 1 1 1169 . 18 1 1 A 96 96 GLY H H 96 7.770 7.956 -0.186 1 1 1170 . 18 1 1 A 96 96 GLY HA2 H 96 3.750 3.901 -0.151 1 1 1171 . 18 1 1 A 96 96 GLY HA3 H 96 3.750 3.907 -0.157 1 1 1172 . 18 1 1 A 96 96 GLY C C 96 178.400 175.499 2.901 1 1 1173 . 18 1 1 A 96 96 GLY CA C 96 47.100 47.018 0.082 1 1 1174 . 18 1 1 A 96 96 GLY N N 96 108.900 109.097 -0.197 1 1 1175 . 18 1 1 A 97 97 ASN H H 97 8.270 8.003 0.267 1 1 1176 . 18 1 1 A 97 97 ASN HA H 97 4.520 4.781 -0.261 1 1 1181 . 18 1 1 A 97 97 ASN CA C 97 52.900 52.386 0.514 1 1 1182 . 18 1 1 A 97 97 ASN CB C 97 38.100 38.125 -0.025 1 1 1183 . 18 1 1 A 97 97 ASN N N 97 119.460 118.910 0.550 1 1 1185 . 18 1 1 A 98 98 GLY H H 98 10.660 9.479 1.181 1 1 1186 . 18 1 1 A 98 98 GLY HA2 H 98 3.330 3.928 -0.598 1 1 1187 . 18 1 1 A 98 98 GLY HA3 H 98 3.960 3.952 0.008 1 1 1188 . 18 1 1 A 98 98 GLY C C 98 178.360 172.955 5.405 1 1 1189 . 18 1 1 A 98 98 GLY CA C 98 45.800 45.499 0.301 1 1 1190 . 18 1 1 A 98 98 GLY N N 98 112.700 111.491 1.209 1 1 1191 . 18 1 1 A 99 99 TYR H H 99 7.570 8.935 -1.365 1 1 1192 . 18 1 1 A 99 99 TYR HA H 99 4.850 5.408 -0.558 1 1 1199 . 18 1 1 A 99 99 TYR C C 99 176.090 175.041 1.049 1 1 1200 . 18 1 1 A 99 99 TYR CA C 99 56.250 55.924 0.326 1 1 1201 . 18 1 1 A 99 99 TYR CB C 99 42.700 43.238 -0.538 1 1 1206 . 18 1 1 A 99 99 TYR N N 99 115.850 117.427 -1.577 1 1 1207 . 18 1 1 A 100 100 ILE H H 100 10.120 9.289 0.831 1 1 1208 . 18 1 1 A 100 100 ILE HA H 100 4.600 4.808 -0.208 1 1 1218 . 18 1 1 A 100 100 ILE C C 100 172.730 176.301 -3.571 1 1 1219 . 18 1 1 A 100 100 ILE CA C 100 61.500 60.540 0.960 1 1 1220 . 18 1 1 A 100 100 ILE CB C 100 39.300 39.093 0.207 1 1 1224 . 18 1 1 A 100 100 ILE N N 100 127.260 124.767 2.493 1 1 1225 . 18 1 1 A 101 101 SER H H 101 9.010 8.828 0.182 1 1 1226 . 18 1 1 A 101 101 SER HA H 101 4.820 4.910 -0.090 1 1 1229 . 18 1 1 A 101 101 SER C C 101 174.660 175.472 -0.812 1 1 1230 . 18 1 1 A 101 101 SER CA C 101 55.900 56.832 -0.932 1 1 1231 . 18 1 1 A 101 101 SER CB C 101 67.000 65.802 1.198 1 1 1232 . 18 1 1 A 101 101 SER N N 101 123.850 122.901 0.949 1 1 1233 . 18 1 1 A 102 102 ALA H H 102 9.240 9.052 0.188 1 1 1234 . 18 1 1 A 102 102 ALA HA H 102 3.830 4.077 -0.247 1 1 1238 . 18 1 1 A 102 102 ALA C C 102 175.840 179.850 -4.010 1 1 1239 . 18 1 1 A 102 102 ALA CA C 102 56.170 55.839 0.331 1 1 1240 . 18 1 1 A 102 102 ALA CB C 102 18.200 17.933 0.267 1 1 1241 . 18 1 1 A 102 102 ALA N N 102 122.650 124.890 -2.240 1 1 1242 . 18 1 1 A 103 103 ALA H H 103 8.180 8.156 0.024 1 1 1243 . 18 1 1 A 103 103 ALA HA H 103 3.980 3.967 0.013 1 1 1247 . 18 1 1 A 103 103 ALA C C 103 175.260 180.184 -4.924 1 1 1248 . 18 1 1 A 103 103 ALA CA C 103 55.200 55.235 -0.035 1 1 1249 . 18 1 1 A 103 103 ALA CB C 103 18.500 18.709 -0.209 1 1 1250 . 18 1 1 A 103 103 ALA N N 103 118.250 119.519 -1.269 1 1 1251 . 18 1 1 A 104 104 GLU H H 104 7.860 7.970 -0.110 1 1 1252 . 18 1 1 A 104 104 GLU HA H 104 3.890 3.953 -0.063 1 1 1257 . 18 1 1 A 104 104 GLU C C 104 179.350 179.138 0.212 1 1 1258 . 18 1 1 A 104 104 GLU CA C 104 59.800 59.573 0.227 1 1 1259 . 18 1 1 A 104 104 GLU CB C 104 29.500 29.469 0.031 1 1 1261 . 18 1 1 A 104 104 GLU N N 104 120.200 118.163 2.037 1 1 1262 . 18 1 1 A 105 105 LEU H H 105 8.500 8.053 0.447 1 1 1263 . 18 1 1 A 105 105 LEU HA H 105 3.960 3.950 0.010 1 1 1273 . 18 1 1 A 105 105 LEU C C 105 179.190 178.498 0.692 1 1 1274 . 18 1 1 A 105 105 LEU CA C 105 58.400 57.834 0.566 1 1 1275 . 18 1 1 A 105 105 LEU CB C 105 42.600 41.499 1.101 1 1 1279 . 18 1 1 A 105 105 LEU N N 105 120.100 121.178 -1.078 1 1 1280 . 18 1 1 A 106 106 ARG H H 106 8.490 8.335 0.155 1 1 1281 . 18 1 1 A 106 106 ARG HA H 106 3.550 3.944 -0.394 1 1 1288 . 18 1 1 A 106 106 ARG C C 106 175.240 178.495 -3.255 1 1 1289 . 18 1 1 A 106 106 ARG CA C 106 60.300 59.266 1.034 1 1 1290 . 18 1 1 A 106 106 ARG CB C 106 30.400 29.860 0.540 1 1 1293 . 18 1 1 A 106 106 ARG N N 106 117.300 120.062 -2.762 1 1 1294 . 18 1 1 A 107 107 HIS H H 107 7.870 7.992 -0.122 1 1 1295 . 18 1 1 A 107 107 HIS HA H 107 4.120 4.115 0.005 1 1 1300 . 18 1 1 A 107 107 HIS C C 107 176.690 177.199 -0.509 1 1 1301 . 18 1 1 A 107 107 HIS CA C 107 60.300 59.180 1.120 1 1 1302 . 18 1 1 A 107 107 HIS CB C 107 31.100 29.678 1.422 1 1 1304 . 18 1 1 A 107 107 HIS N N 107 120.000 119.694 0.306 1 1 1306 . 18 1 1 A 108 108 VAL H H 108 8.190 8.905 -0.715 1 1 1307 . 18 1 1 A 108 108 VAL HA H 108 3.400 3.384 0.016 1 1 1315 . 18 1 1 A 108 108 VAL C C 108 178.430 177.817 0.613 1 1 1316 . 18 1 1 A 108 108 VAL CA C 108 66.500 66.430 0.070 1 1 1317 . 18 1 1 A 108 108 VAL CB C 108 31.800 31.086 0.714 1 1 1320 . 18 1 1 A 108 108 VAL N N 108 118.980 119.528 -0.548 1 1 1321 . 18 1 1 A 109 109 MET H H 109 8.180 7.855 0.325 1 1 1322 . 18 1 1 A 109 109 MET HA H 109 4.220 4.029 0.191 1 1 1330 . 18 1 1 A 109 109 MET C C 109 179.690 178.260 1.430 1 1 1331 . 18 1 1 A 109 109 MET CA C 109 57.300 58.626 -1.326 1 1 1332 . 18 1 1 A 109 109 MET CB C 109 29.700 32.330 -2.630 1 1 1335 . 18 1 1 A 109 109 MET N N 109 114.980 117.529 -2.549 1 1 1336 . 18 1 1 A 110 110 THR H H 110 8.220 8.184 0.036 1 1 1337 . 18 1 1 A 110 110 THR HA H 110 4.000 3.953 0.047 1 1 1342 . 18 1 1 A 110 110 THR C C 110 176.410 177.285 -0.875 1 1 1343 . 18 1 1 A 110 110 THR CA C 110 67.100 65.847 1.253 1 1 1344 . 18 1 1 A 110 110 THR CB C 110 68.500 68.151 0.349 1 1 1346 . 18 1 1 A 110 110 THR N N 110 116.970 112.928 4.042 1 1 1347 . 18 1 1 A 111 111 ASN H H 111 7.780 7.573 0.207 1 1 1348 . 18 1 1 A 111 111 ASN HA H 111 4.320 4.466 -0.146 1 1 1353 . 18 1 1 A 111 111 ASN CA C 111 55.800 56.144 -0.344 1 1 1354 . 18 1 1 A 111 111 ASN CB C 111 38.200 37.901 0.299 1 1 1355 . 18 1 1 A 111 111 ASN N N 111 122.350 121.197 1.153 1 1 1357 . 18 1 1 A 112 112 LEU H H 112 7.480 7.450 0.030 1 1 1358 . 18 1 1 A 112 112 LEU HA H 112 4.210 4.276 -0.066 1 1 1368 . 18 1 1 A 112 112 LEU C C 112 178.710 177.098 1.612 1 1 1369 . 18 1 1 A 112 112 LEU CA C 112 55.100 55.205 -0.105 1 1 1370 . 18 1 1 A 112 112 LEU CB C 112 42.500 42.552 -0.052 1 1 1374 . 18 1 1 A 112 112 LEU N N 112 118.300 117.146 1.154 1 1 1375 . 18 1 1 A 113 113 GLY H H 113 7.740 7.874 -0.134 1 1 1376 . 18 1 1 A 113 113 GLY HA2 H 113 3.580 3.908 -0.328 1 1 1377 . 18 1 1 A 113 113 GLY HA3 H 113 4.140 3.918 0.222 1 1 1378 . 18 1 1 A 113 113 GLY C C 113 176.830 174.745 2.085 1 1 1379 . 18 1 1 A 113 113 GLY CA C 113 45.370 46.383 -1.013 1 1 1380 . 18 1 1 A 113 113 GLY N N 113 106.500 108.308 -1.808 1 1 1381 . 18 1 1 A 114 114 GLU H H 114 7.780 7.851 -0.071 1 1 1382 . 18 1 1 A 114 114 GLU HA H 114 4.240 4.247 -0.007 1 1 1387 . 18 1 1 A 114 114 GLU C C 114 176.790 176.039 0.751 1 1 1388 . 18 1 1 A 114 114 GLU CA C 114 54.800 58.022 -3.222 1 1 1389 . 18 1 1 A 114 114 GLU CB C 114 29.900 30.263 -0.363 1 1 1391 . 18 1 1 A 114 114 GLU N N 114 119.300 121.294 -1.994 1 1 1392 . 18 1 1 A 115 115 LYS H H 115 8.540 7.838 0.702 1 1 1393 . 18 1 1 A 115 115 LYS HA H 115 4.270 3.766 0.504 1 1 1402 . 18 1 1 A 115 115 LYS C C 115 174.300 175.274 -0.974 1 1 1403 . 18 1 1 A 115 115 LYS CA C 115 55.500 57.093 -1.593 1 1 1404 . 18 1 1 A 115 115 LYS CB C 115 31.900 30.133 1.767 1 1 1408 . 18 1 1 A 115 115 LYS N N 115 125.000 118.261 6.739 1 1 1409 . 18 1 1 A 116 116 LEU H H 116 8.000 7.668 0.332 1 1 1410 . 18 1 1 A 116 116 LEU HA H 116 4.630 4.701 -0.071 1 1 1420 . 18 1 1 A 116 116 LEU C C 116 175.060 176.756 -1.696 1 1 1421 . 18 1 1 A 116 116 LEU CA C 116 54.100 54.089 0.011 1 1 1422 . 18 1 1 A 116 116 LEU CB C 116 44.100 42.949 1.151 1 1 1426 . 18 1 1 A 116 116 LEU N N 116 123.620 116.800 6.820 1 1 1427 . 18 1 1 A 117 117 THR H H 117 9.140 8.645 0.495 1 1 1428 . 18 1 1 A 117 117 THR HA H 117 4.340 4.647 -0.307 1 1 1433 . 18 1 1 A 117 117 THR C C 117 175.610 175.279 0.331 1 1 1434 . 18 1 1 A 117 117 THR CA C 117 60.500 60.585 -0.085 1 1 1435 . 18 1 1 A 117 117 THR CB C 117 71.100 71.434 -0.334 1 1 1437 . 18 1 1 A 117 117 THR N N 117 114.240 111.561 2.679 1 1 1438 . 18 1 1 A 118 118 ASP H H 118 8.820 8.963 -0.143 1 1 1439 . 18 1 1 A 118 118 ASP HA H 118 4.100 4.223 -0.123 1 1 1442 . 18 1 1 A 118 118 ASP C C 118 178.610 177.939 0.671 1 1 1443 . 18 1 1 A 118 118 ASP CA C 118 58.000 58.025 -0.025 1 1 1444 . 18 1 1 A 118 118 ASP CB C 118 39.700 41.319 -1.619 1 1 1445 . 18 1 1 A 118 118 ASP N N 118 120.660 121.854 -1.194 1 1 1446 . 18 1 1 A 119 119 GLU H H 119 8.450 8.333 0.117 1 1 1447 . 18 1 1 A 119 119 GLU HA H 119 3.960 3.989 -0.029 1 1 1452 . 18 1 1 A 119 119 GLU C C 119 175.620 179.299 -3.679 1 1 1453 . 18 1 1 A 119 119 GLU CA C 119 59.800 59.755 0.045 1 1 1454 . 18 1 1 A 119 119 GLU CB C 119 29.400 29.035 0.365 1 1 1456 . 18 1 1 A 119 119 GLU N N 119 118.790 118.633 0.157 1 1 1457 . 18 1 1 A 120 120 GLU H H 120 7.570 7.755 -0.185 1 1 1458 . 18 1 1 A 120 120 GLU HA H 120 3.950 4.162 -0.212 1 1 1463 . 18 1 1 A 120 120 GLU C C 120 178.630 179.036 -0.406 1 1 1464 . 18 1 1 A 120 120 GLU CA C 120 59.600 58.808 0.792 1 1 1465 . 18 1 1 A 120 120 GLU CB C 120 29.400 29.041 0.359 1 1 1467 . 18 1 1 A 120 120 GLU N N 120 120.120 120.160 -0.040 1 1 1468 . 18 1 1 A 121 121 VAL H H 121 7.750 7.941 -0.191 1 1 1469 . 18 1 1 A 121 121 VAL HA H 121 3.240 3.529 -0.289 1 1 1477 . 18 1 1 A 121 121 VAL C C 121 179.110 177.501 1.609 1 1 1478 . 18 1 1 A 121 121 VAL CA C 121 67.300 66.406 0.894 1 1 1479 . 18 1 1 A 121 121 VAL CB C 121 31.550 31.607 -0.057 1 1 1482 . 18 1 1 A 121 121 VAL N N 121 119.400 121.476 -2.076 1 1 1483 . 18 1 1 A 122 122 ASP H H 122 7.840 7.831 0.009 1 1 1484 . 18 1 1 A 122 122 ASP HA H 122 4.260 4.365 -0.105 1 1 1487 . 18 1 1 A 122 122 ASP C C 122 178.890 178.733 0.157 1 1 1488 . 18 1 1 A 122 122 ASP CA C 122 57.700 57.047 0.653 1 1 1489 . 18 1 1 A 122 122 ASP CB C 122 40.200 40.387 -0.187 1 1 1490 . 18 1 1 A 122 122 ASP N N 122 118.550 119.415 -0.865 1 1 1491 . 18 1 1 A 123 123 GLU H H 123 8.110 8.270 -0.160 1 1 1492 . 18 1 1 A 123 123 GLU HA H 123 3.880 4.081 -0.201 1 1 1497 . 18 1 1 A 123 123 GLU C C 123 177.710 178.895 -1.185 1 1 1498 . 18 1 1 A 123 123 GLU CA C 123 59.600 59.360 0.240 1 1 1499 . 18 1 1 A 123 123 GLU CB C 123 29.400 28.989 0.411 1 1 1501 . 18 1 1 A 123 123 GLU N N 123 119.670 120.113 -0.443 1 1 1502 . 18 1 1 A 124 124 MET H H 124 8.000 8.085 -0.085 1 1 1503 . 18 1 1 A 124 124 MET HA H 124 3.700 4.082 -0.382 1 1 1511 . 18 1 1 A 124 124 MET C C 124 179.020 178.786 0.234 1 1 1512 . 18 1 1 A 124 124 MET CA C 124 60.700 58.569 2.131 1 1 1513 . 18 1 1 A 124 124 MET CB C 124 33.200 32.727 0.473 1 1 1516 . 18 1 1 A 124 124 MET N N 124 118.100 118.938 -0.838 1 1 1517 . 18 1 1 A 125 125 ILE H H 125 8.220 8.249 -0.029 1 1 1518 . 18 1 1 A 125 125 ILE HA H 125 3.610 3.628 -0.018 1 1 1528 . 18 1 1 A 125 125 ILE C C 125 179.410 177.907 1.503 1 1 1529 . 18 1 1 A 125 125 ILE CA C 125 64.200 65.056 -0.856 1 1 1530 . 18 1 1 A 125 125 ILE CB C 125 36.000 37.795 -1.795 1 1 1534 . 18 1 1 A 125 125 ILE N N 125 121.400 119.306 2.094 1 1 1535 . 18 1 1 A 126 126 ARG H H 126 8.510 8.080 0.430 1 1 1536 . 18 1 1 A 126 126 ARG HA H 126 3.930 3.902 0.028 1 1 1543 . 18 1 1 A 126 126 ARG C C 126 178.070 179.177 -1.107 1 1 1544 . 18 1 1 A 126 126 ARG CA C 126 59.500 60.130 -0.630 1 1 1545 . 18 1 1 A 126 126 ARG CB C 126 30.300 29.903 0.397 1 1 1548 . 18 1 1 A 126 126 ARG N N 126 117.650 119.764 -2.114 1 1 1549 . 18 1 1 A 127 127 GLU H H 127 7.820 8.258 -0.438 1 1 1550 . 18 1 1 A 127 127 GLU HA H 127 3.880 4.030 -0.150 1 1 1555 . 18 1 1 A 127 127 GLU C C 127 180.080 178.153 1.927 1 1 1556 . 18 1 1 A 127 127 GLU CA C 127 58.300 59.335 -1.035 1 1 1557 . 18 1 1 A 127 127 GLU CB C 127 29.800 29.289 0.511 1 1 1559 . 18 1 1 A 127 127 GLU N N 127 115.300 119.679 -4.379 1 1 1560 . 18 1 1 A 128 128 ALA H H 128 6.960 7.205 -0.245 1 1 1561 . 18 1 1 A 128 128 ALA HA H 128 4.340 4.377 -0.037 1 1 1565 . 18 1 1 A 128 128 ALA C C 128 181.640 177.191 4.449 1 1 1566 . 18 1 1 A 128 128 ALA CA C 128 51.700 51.999 -0.299 1 1 1567 . 18 1 1 A 128 128 ALA CB C 128 22.400 20.030 2.370 1 1 1568 . 18 1 1 A 128 128 ALA N N 128 115.890 120.710 -4.820 1 1 1569 . 18 1 1 A 129 129 ASP H H 129 8.210 7.767 0.443 1 1 1570 . 18 1 1 A 129 129 ASP HA H 129 4.360 4.580 -0.220 1 1 1573 . 18 1 1 A 129 129 ASP C C 129 176.420 177.024 -0.604 1 1 1574 . 18 1 1 A 129 129 ASP CA C 129 54.300 53.876 0.424 1 1 1575 . 18 1 1 A 129 129 ASP CB C 129 40.400 40.156 0.244 1 1 1576 . 18 1 1 A 129 129 ASP N N 129 117.100 118.780 -1.680 1 1 1577 . 18 1 1 A 130 130 ILE H H 130 8.250 8.159 0.091 1 1 1578 . 18 1 1 A 130 130 ILE HA H 130 3.800 4.056 -0.256 1 1 1588 . 18 1 1 A 130 130 ILE C C 130 177.960 175.212 2.748 1 1 1589 . 18 1 1 A 130 130 ILE CA C 130 63.500 62.749 0.751 1 1 1590 . 18 1 1 A 130 130 ILE CB C 130 38.500 38.033 0.467 1 1 1594 . 18 1 1 A 130 130 ILE N N 130 127.900 122.294 5.606 1 1 1595 . 18 1 1 A 131 131 ASP H H 131 8.220 7.630 0.590 1 1 1596 . 18 1 1 A 131 131 ASP HA H 131 4.400 4.928 -0.528 1 1 1599 . 18 1 1 A 131 131 ASP C C 131 175.850 175.944 -0.094 1 1 1600 . 18 1 1 A 131 131 ASP CA C 131 53.800 52.544 1.256 1 1 1601 . 18 1 1 A 131 131 ASP CB C 131 39.900 44.273 -4.373 1 1 1602 . 18 1 1 A 131 131 ASP N N 131 116.250 119.531 -3.281 1 1 1603 . 18 1 1 A 132 132 GLY H H 132 7.520 9.100 -1.580 1 1 1604 . 18 1 1 A 132 132 GLY HA2 H 132 3.700 3.897 -0.197 1 1 1605 . 18 1 1 A 132 132 GLY HA3 H 132 3.900 3.901 -0.001 1 1 1606 . 18 1 1 A 132 132 GLY C C 132 177.820 175.099 2.721 1 1 1607 . 18 1 1 A 132 132 GLY CA C 132 47.400 47.239 0.161 1 1 1608 . 18 1 1 A 132 132 GLY N N 132 108.170 107.868 0.302 1 1 1609 . 18 1 1 A 133 133 ASP H H 133 8.240 8.271 -0.031 1 1 1610 . 18 1 1 A 133 133 ASP HA H 133 4.360 4.546 -0.186 1 1 1613 . 18 1 1 A 133 133 ASP C C 133 178.290 177.500 0.790 1 1 1614 . 18 1 1 A 133 133 ASP CA C 133 53.800 53.495 0.305 1 1 1615 . 18 1 1 A 133 133 ASP CB C 133 40.300 40.329 -0.029 1 1 1616 . 18 1 1 A 133 133 ASP N N 133 120.370 120.086 0.284 1 1 1617 . 18 1 1 A 134 134 GLY H H 134 10.140 9.462 0.678 1 1 1618 . 18 1 1 A 134 134 GLY HA2 H 134 3.300 3.840 -0.540 1 1 1619 . 18 1 1 A 134 134 GLY HA3 H 134 3.930 3.851 0.079 1 1 1620 . 18 1 1 A 134 134 GLY C C 134 175.350 173.248 2.102 1 1 1621 . 18 1 1 A 134 134 GLY CA C 134 45.900 45.636 0.264 1 1 1622 . 18 1 1 A 134 134 GLY N N 134 112.150 111.333 0.817 1 1 1623 . 18 1 1 A 135 135 GLN H H 135 7.910 8.115 -0.205 1 1 1624 . 18 1 1 A 135 135 GLN HA H 135 4.870 5.005 -0.135 1 1 1631 . 18 1 1 A 135 135 GLN C C 135 177.620 174.610 3.010 1 1 1632 . 18 1 1 A 135 135 GLN CA C 135 53.300 53.685 -0.385 1 1 1633 . 18 1 1 A 135 135 GLN CB C 135 33.000 32.631 0.369 1 1 1635 . 18 1 1 A 135 135 GLN N N 135 114.700 118.594 -3.894 1 1 1637 . 18 1 1 A 136 136 VAL H H 136 9.070 8.874 0.196 1 1 1638 . 18 1 1 A 136 136 VAL HA H 136 5.110 5.140 -0.030 1 1 1646 . 18 1 1 A 136 136 VAL C C 136 172.750 175.520 -2.770 1 1 1647 . 18 1 1 A 136 136 VAL CA C 136 61.800 61.730 0.070 1 1 1648 . 18 1 1 A 136 136 VAL CB C 136 34.100 32.993 1.107 1 1 1651 . 18 1 1 A 136 136 VAL N N 136 124.900 122.475 2.425 1 1 1652 . 18 1 1 A 137 137 ASN H H 137 9.450 8.838 0.612 1 1 1653 . 18 1 1 A 137 137 ASN HA H 137 5.240 4.913 0.327 1 1 1658 . 18 1 1 A 137 137 ASN CA C 137 51.400 52.251 -0.851 1 1 1659 . 18 1 1 A 137 137 ASN CB C 137 40.000 40.205 -0.205 1 1 1660 . 18 1 1 A 137 137 ASN N N 137 128.840 126.501 2.339 1 1 1662 . 18 1 1 A 138 138 TYR H H 138 8.330 8.785 -0.455 1 1 1663 . 18 1 1 A 138 138 TYR HA H 138 3.240 4.217 -0.977 1 1 1670 . 18 1 1 A 138 138 TYR C C 138 180.030 177.468 2.562 1 1 1671 . 18 1 1 A 138 138 TYR CA C 138 62.400 62.252 0.148 1 1 1672 . 18 1 1 A 138 138 TYR CB C 138 38.000 38.429 -0.429 1 1 1677 . 18 1 1 A 138 138 TYR N N 138 118.150 125.979 -7.829 1 1 1678 . 18 1 1 A 139 139 GLU H H 139 7.990 8.449 -0.459 1 1 1679 . 18 1 1 A 139 139 GLU HA H 139 3.520 3.932 -0.412 1 1 1684 . 18 1 1 A 139 139 GLU C C 139 179.170 178.852 0.318 1 1 1685 . 18 1 1 A 139 139 GLU CA C 139 60.550 60.169 0.381 1 1 1686 . 18 1 1 A 139 139 GLU CB C 139 29.100 29.676 -0.576 1 1 1688 . 18 1 1 A 139 139 GLU N N 139 118.100 119.427 -1.327 1 1 1689 . 18 1 1 A 140 140 GLU H H 140 8.640 8.125 0.515 1 1 1690 . 18 1 1 A 140 140 GLU HA H 140 3.780 4.078 -0.298 1 1 1695 . 18 1 1 A 140 140 GLU C C 140 181.440 179.038 2.402 1 1 1696 . 18 1 1 A 140 140 GLU CA C 140 58.800 59.059 -0.259 1 1 1697 . 18 1 1 A 140 140 GLU CB C 140 29.200 29.709 -0.509 1 1 1699 . 18 1 1 A 140 140 GLU N N 140 119.300 119.383 -0.083 1 1 1700 . 18 1 1 A 141 141 PHE H H 141 8.470 8.042 0.428 1 1 1701 . 18 1 1 A 141 141 PHE HA H 141 3.380 3.883 -0.503 1 1 1709 . 18 1 1 A 141 141 PHE C C 141 178.980 176.721 2.259 1 1 1710 . 18 1 1 A 141 141 PHE CA C 141 61.900 61.335 0.565 1 1 1711 . 18 1 1 A 141 141 PHE CB C 141 40.200 39.243 0.957 1 1 1717 . 18 1 1 A 141 141 PHE N N 141 123.640 121.674 1.966 1 1 1718 . 18 1 1 A 142 142 VAL H H 142 8.510 8.074 0.436 1 1 1719 . 18 1 1 A 142 142 VAL HA H 142 3.000 3.353 -0.353 1 1 1727 . 18 1 1 A 142 142 VAL C C 142 176.540 177.652 -1.112 1 1 1728 . 18 1 1 A 142 142 VAL CA C 142 66.900 66.387 0.513 1 1 1729 . 18 1 1 A 142 142 VAL CB C 142 31.450 31.274 0.176 1 1 1732 . 18 1 1 A 142 142 VAL N N 142 118.330 118.906 -0.576 1 1 1733 . 18 1 1 A 143 143 GLN H H 143 7.520 8.145 -0.625 1 1 1734 . 18 1 1 A 143 143 GLN HA H 143 3.750 3.867 -0.117 1 1 1741 . 18 1 1 A 143 143 GLN C C 143 176.630 178.165 -1.535 1 1 1742 . 18 1 1 A 143 143 GLN CA C 143 58.900 59.127 -0.227 1 1 1743 . 18 1 1 A 143 143 GLN CB C 143 28.200 28.099 0.101 1 1 1745 . 18 1 1 A 143 143 GLN N N 143 118.100 119.430 -1.330 1 1 1747 . 18 1 1 A 144 144 MET H H 144 7.250 7.813 -0.563 1 1 1748 . 18 1 1 A 144 144 MET HA H 144 4.090 4.190 -0.100 1 1 1756 . 18 1 1 A 144 144 MET C C 144 179.340 178.611 0.729 1 1 1757 . 18 1 1 A 144 144 MET CA C 144 56.750 57.793 -1.043 1 1 1758 . 18 1 1 A 144 144 MET CB C 144 30.800 32.537 -1.737 1 1 1761 . 18 1 1 A 144 144 MET N N 144 117.300 117.827 -0.527 1 1 1762 . 18 1 1 A 145 145 MET H H 145 7.460 7.857 -0.397 1 1 1763 . 18 1 1 A 145 145 MET HA H 145 3.900 4.061 -0.161 1 1 1771 . 18 1 1 A 145 145 MET C C 145 178.110 177.584 0.526 1 1 1772 . 18 1 1 A 145 145 MET CA C 145 56.800 57.980 -1.180 1 1 1773 . 18 1 1 A 145 145 MET CB C 145 31.800 33.571 -1.771 1 1 1776 . 18 1 1 A 145 145 MET N N 145 114.350 118.417 -4.067 1 1 1777 . 18 1 1 A 146 146 THR H H 146 7.560 8.244 -0.684 1 1 1778 . 18 1 1 A 146 146 THR HA H 146 4.220 4.487 -0.267 1 1 1783 . 18 1 1 A 146 146 THR C C 146 177.440 175.027 2.413 1 1 1784 . 18 1 1 A 146 146 THR CA C 146 62.650 61.461 1.189 1 1 1785 . 18 1 1 A 146 146 THR CB C 146 69.700 68.389 1.311 1 1 1787 . 18 1 1 A 146 146 THR N N 146 109.350 114.801 -5.451 1 1 1788 . 18 1 1 A 147 147 ALA H H 147 7.420 7.808 -0.388 1 1 1789 . 18 1 1 A 147 147 ALA HA H 147 4.170 3.953 0.217 1 1 1793 . 18 1 1 A 147 147 ALA C C 147 177.480 179.623 -2.143 1 1 1794 . 18 1 1 A 147 147 ALA CA C 147 52.900 55.461 -2.561 1 1 1795 . 18 1 1 A 147 147 ALA CB C 147 19.200 18.791 0.409 1 1 1796 . 18 1 1 A 147 147 ALA N N 147 125.650 125.252 0.398 1 1 1814 . 18 2 2 B 1 1 ARG H H 1088 8.270 8.004 0.266 1 1 1815 . 18 2 2 B 1 1 ARG HA H 1088 3.860 4.296 -0.436 1 1 1822 . 18 2 2 B 1 1 ARG CA C 1088 59.900 56.950 2.950 1 1 1823 . 18 2 2 B 1 1 ARG CB C 1088 29.900 28.892 1.008 1 1 1826 . 18 2 2 B 1 1 ARG N N 1088 117.300 118.718 -1.418 1 1 1827 . 18 2 2 B 2 2 GLY H H 1089 9.370 7.853 1.517 1 1 1828 . 18 2 2 B 2 2 GLY HA2 H 1089 3.520 3.963 -0.443 1 1 1829 . 18 2 2 B 2 2 GLY HA3 H 1089 3.730 3.980 -0.250 1 1 1830 . 18 2 2 B 2 2 GLY C C 1089 176.650 175.772 0.878 1 1 1831 . 18 2 2 B 2 2 GLY CA C 1089 47.200 46.529 0.671 1 1 1832 . 18 2 2 B 2 2 GLY N N 1089 105.000 109.620 -4.620 1 1 1833 . 18 2 2 B 3 3 GLN H H 1090 6.980 7.849 -0.869 1 1 1834 . 18 2 2 B 3 3 GLN HA H 1090 3.830 4.126 -0.296 1 1 1841 . 18 2 2 B 3 3 GLN C C 1090 177.680 178.657 -0.977 1 1 1842 . 18 2 2 B 3 3 GLN CA C 1090 59.100 58.679 0.421 1 1 1843 . 18 2 2 B 3 3 GLN CB C 1090 29.800 28.352 1.448 1 1 1845 . 18 2 2 B 3 3 GLN N N 1090 117.350 119.911 -2.561 1 1 1847 . 18 2 2 B 4 4 ILE H H 1091 7.760 7.794 -0.034 1 1 1848 . 18 2 2 B 4 4 ILE HA H 1091 3.480 3.679 -0.199 1 1 1858 . 18 2 2 B 4 4 ILE C C 1091 175.070 178.247 -3.177 1 1 1859 . 18 2 2 B 4 4 ILE CA C 1091 65.600 65.950 -0.350 1 1 1860 . 18 2 2 B 4 4 ILE CB C 1091 38.000 38.152 -0.152 1 1 1864 . 18 2 2 B 4 4 ILE N N 1091 119.650 121.236 -1.586 1 1 1865 . 18 2 2 B 5 5 LEU H H 1092 7.830 8.335 -0.505 1 1 1866 . 18 2 2 B 5 5 LEU HA H 1092 3.820 3.906 -0.086 1 1 1876 . 18 2 2 B 5 5 LEU C C 1092 176.220 179.064 -2.844 1 1 1877 . 18 2 2 B 5 5 LEU CA C 1092 58.250 58.370 -0.120 1 1 1878 . 18 2 2 B 5 5 LEU CB C 1092 41.700 42.187 -0.487 1 1 1882 . 18 2 2 B 5 5 LEU N N 1092 119.200 118.728 0.472 1 1 1883 . 18 2 2 B 6 6 TRP H H 1093 7.650 8.263 -0.613 1 1 1884 . 18 2 2 B 6 6 TRP HA H 1093 4.120 4.341 -0.221 1 1 1893 . 18 2 2 B 6 6 TRP C C 1093 178.490 179.225 -0.735 1 1 1894 . 18 2 2 B 6 6 TRP CA C 1093 61.100 60.532 0.568 1 1 1895 . 18 2 2 B 6 6 TRP CB C 1093 30.000 29.554 0.446 1 1 1901 . 18 2 2 B 6 6 TRP N N 1093 119.200 118.609 0.591 1 1 1903 . 18 2 2 B 7 7 PHE H H 1094 8.400 8.443 -0.043 1 1 1904 . 18 2 2 B 7 7 PHE HA H 1094 4.390 4.228 0.162 1 1 1912 . 18 2 2 B 7 7 PHE C C 1094 178.840 177.449 1.391 1 1 1913 . 18 2 2 B 7 7 PHE CA C 1094 59.700 61.340 -1.640 1 1 1914 . 18 2 2 B 7 7 PHE CB C 1094 37.000 39.219 -2.219 1 1 1919 . 18 2 2 B 7 7 PHE N N 1094 117.800 119.909 -2.109 1 1 1920 . 18 2 2 B 8 8 ARG H H 1095 8.360 8.202 0.158 1 1 1921 . 18 2 2 B 8 8 ARG HA H 1095 4.140 4.096 0.044 1 1 1928 . 18 2 2 B 8 8 ARG C C 1095 178.290 179.050 -0.760 1 1 1929 . 18 2 2 B 8 8 ARG CA C 1095 59.600 59.764 -0.164 1 1 1930 . 18 2 2 B 8 8 ARG CB C 1095 30.500 30.234 0.266 1 1 1933 . 18 2 2 B 8 8 ARG N N 1095 120.800 118.034 2.766 1 1 1934 . 18 2 2 B 9 9 GLY H H 1096 8.330 8.254 0.076 1 1 1935 . 18 2 2 B 9 9 GLY HA2 H 1096 3.560 3.603 -0.043 1 1 1936 . 18 2 2 B 9 9 GLY HA3 H 1096 3.720 3.629 0.091 1 1 1937 . 18 2 2 B 9 9 GLY C C 1096 178.010 175.594 2.416 1 1 1938 . 18 2 2 B 9 9 GLY CA C 1096 47.200 47.326 -0.126 1 1 1939 . 18 2 2 B 9 9 GLY N N 1096 106.400 107.182 -0.782 1 1 1940 . 18 2 2 B 10 10 LEU H H 1097 9.090 8.073 1.017 1 1 1941 . 18 2 2 B 10 10 LEU HA H 1097 4.150 3.911 0.239 1 1 1951 . 18 2 2 B 10 10 LEU C C 1097 178.820 178.435 0.385 1 1 1952 . 18 2 2 B 10 10 LEU CA C 1097 58.500 57.101 1.399 1 1 1953 . 18 2 2 B 10 10 LEU CB C 1097 41.600 41.082 0.518 1 1 1957 . 18 2 2 B 10 10 LEU N N 1097 120.900 122.611 -1.711 1 1 1958 . 18 2 2 B 11 11 ASN H H 1098 8.380 8.066 0.314 1 1 1959 . 18 2 2 B 11 11 ASN HA H 1098 4.440 4.344 0.096 1 1 1964 . 18 2 2 B 11 11 ASN CA C 1098 56.700 56.465 0.235 1 1 1965 . 18 2 2 B 11 11 ASN CB C 1098 38.700 37.812 0.888 1 1 1966 . 18 2 2 B 11 11 ASN N N 1098 116.900 115.846 1.054 1 1 1968 . 18 2 2 B 12 12 ARG H H 1099 7.900 7.548 0.352 1 1 1969 . 18 2 2 B 12 12 ARG HA H 1099 3.980 4.085 -0.105 1 1 1976 . 18 2 2 B 12 12 ARG C C 1099 178.360 178.257 0.103 1 1 1977 . 18 2 2 B 12 12 ARG CA C 1099 60.200 59.164 1.036 1 1 1978 . 18 2 2 B 12 12 ARG CB C 1099 32.600 29.995 2.605 1 1 1981 . 18 2 2 B 12 12 ARG N N 1099 120.100 118.854 1.246 1 1 1982 . 18 2 2 B 13 13 ILE H H 1100 8.230 8.048 0.182 1 1 1983 . 18 2 2 B 13 13 ILE HA H 1100 3.840 3.644 0.196 1 1 1993 . 18 2 2 B 13 13 ILE C C 1100 178.110 177.821 0.289 1 1 1994 . 18 2 2 B 13 13 ILE CA C 1100 63.800 65.465 -1.665 1 1 1995 . 18 2 2 B 13 13 ILE CB C 1100 37.300 37.722 -0.422 1 1 1999 . 18 2 2 B 13 13 ILE N N 1100 120.350 120.670 -0.320 1 1 2000 . 18 2 2 B 14 14 GLN H H 1101 8.830 7.819 1.011 1 1 2001 . 18 2 2 B 14 14 GLN HA H 1101 3.990 3.978 0.012 1 1 2008 . 18 2 2 B 14 14 GLN C C 1101 177.860 178.499 -0.639 1 1 2009 . 18 2 2 B 14 14 GLN CA C 1101 60.000 59.117 0.883 1 1 2010 . 18 2 2 B 14 14 GLN CB C 1101 28.800 28.290 0.510 1 1 2012 . 18 2 2 B 14 14 GLN N N 1101 118.700 119.863 -1.163 1 1 2014 . 18 2 2 B 15 15 THR H H 1102 8.140 8.136 0.004 1 1 2015 . 18 2 2 B 15 15 THR HA H 1102 3.890 3.784 0.106 1 1 2020 . 18 2 2 B 15 15 THR C C 1102 177.470 176.564 0.906 1 1 2021 . 18 2 2 B 15 15 THR CA C 1102 67.400 67.391 0.009 1 1 2022 . 18 2 2 B 15 15 THR CB C 1102 70.300 68.543 1.757 1 1 2024 . 18 2 2 B 15 15 THR N N 1102 117.500 116.532 0.968 1 1 2025 . 18 2 2 B 16 16 GLN H H 1103 8.320 8.278 0.042 1 1 2026 . 18 2 2 B 16 16 GLN HA H 1103 4.100 3.941 0.159 1 1 2033 . 18 2 2 B 16 16 GLN C C 1103 178.890 178.552 0.338 1 1 2034 . 18 2 2 B 16 16 GLN CA C 1103 60.600 59.255 1.345 1 1 2035 . 18 2 2 B 16 16 GLN CB C 1103 30.500 28.454 2.046 1 1 2037 . 18 2 2 B 16 16 GLN N N 1103 120.650 119.142 1.508 1 1 2039 . 18 2 2 B 17 17 ILE H H 1104 8.690 7.348 1.342 1 1 2040 . 18 2 2 B 17 17 ILE HA H 1104 3.470 4.045 -0.575 1 1 2050 . 18 2 2 B 17 17 ILE C C 1104 175.230 177.923 -2.693 1 1 2051 . 18 2 2 B 17 17 ILE CA C 1104 66.150 61.915 4.235 1 1 2052 . 18 2 2 B 17 17 ILE CB C 1104 38.300 38.057 0.243 1 1 2056 . 18 2 2 B 17 17 ILE N N 1104 119.400 120.186 -0.786 1 1 2057 . 18 2 2 B 18 18 LYS H H 1105 7.950 8.951 -1.001 1 1 2058 . 18 2 2 B 18 18 LYS HA H 1105 3.900 3.984 -0.084 1 1 2067 . 18 2 2 B 18 18 LYS C C 1105 177.660 178.604 -0.944 1 1 2068 . 18 2 2 B 18 18 LYS CA C 1105 60.050 59.810 0.240 1 1 2069 . 18 2 2 B 18 18 LYS CB C 1105 32.700 32.192 0.508 1 1 2073 . 18 2 2 B 18 18 LYS N N 1105 120.280 123.422 -3.142 1 1 2074 . 18 2 2 B 19 19 VAL H H 1106 8.280 7.602 0.678 1 1 2075 . 18 2 2 B 19 19 VAL HA H 1106 3.430 3.797 -0.367 1 1 2083 . 18 2 2 B 19 19 VAL C C 1106 177.660 178.348 -0.688 1 1 2084 . 18 2 2 B 19 19 VAL CA C 1106 65.900 66.615 -0.715 1 1 2085 . 18 2 2 B 19 19 VAL CB C 1106 31.400 31.793 -0.393 1 1 2088 . 18 2 2 B 19 19 VAL N N 1106 120.660 119.636 1.024 1 1 2089 . 18 2 2 B 20 20 VAL H H 1107 8.420 8.032 0.388 1 1 2090 . 18 2 2 B 20 20 VAL HA H 1107 3.580 3.890 -0.310 1 1 2098 . 18 2 2 B 20 20 VAL C C 1107 178.930 178.337 0.593 1 1 2099 . 18 2 2 B 20 20 VAL CA C 1107 68.390 65.940 2.450 1 1 2100 . 18 2 2 B 20 20 VAL CB C 1107 31.200 31.463 -0.263 1 1 2103 . 18 2 2 B 20 20 VAL N N 1107 119.990 116.382 3.608 1 1 2104 . 18 2 2 B 21 21 LYS H H 1108 8.300 8.142 0.158 1 1 2105 . 18 2 2 B 21 21 LYS HA H 1108 4.050 4.121 -0.071 1 1 2114 . 18 2 2 B 21 21 LYS C C 1108 177.230 178.950 -1.720 1 1 2115 . 18 2 2 B 21 21 LYS CA C 1108 59.980 59.745 0.235 1 1 2116 . 18 2 2 B 21 21 LYS CB C 1108 32.400 32.195 0.205 1 1 2120 . 18 2 2 B 21 21 LYS N N 1108 119.290 122.141 -2.851 1 1 2121 . 18 2 2 B 22 22 ALA H H 1109 7.690 8.084 -0.394 1 1 2122 . 18 2 2 B 22 22 ALA HA H 1109 3.900 4.185 -0.285 1 1 2126 . 18 2 2 B 22 22 ALA C C 1109 178.200 179.704 -1.504 1 1 2127 . 18 2 2 B 22 22 ALA CA C 1109 54.950 55.227 -0.277 1 1 2128 . 18 2 2 B 22 22 ALA CB C 1109 22.000 18.809 3.191 1 1 2129 . 18 2 2 B 22 22 ALA N N 1109 123.910 122.113 1.797 1 1 2130 . 18 2 2 B 23 23 PHE H H 1110 7.920 8.302 -0.382 1 1 2131 . 18 2 2 B 23 23 PHE HA H 1110 4.120 4.230 -0.110 1 1 2139 . 18 2 2 B 23 23 PHE C C 1110 178.840 178.323 0.517 1 1 2140 . 18 2 2 B 23 23 PHE CA C 1110 61.260 60.648 0.612 1 1 2141 . 18 2 2 B 23 23 PHE CB C 1110 40.200 38.893 1.307 1 1 2147 . 18 2 2 B 23 23 PHE N N 1110 118.200 115.629 2.571 1 1 2148 . 18 2 2 B 24 24 HIS H H 1111 7.960 7.531 0.429 1 1 2149 . 18 2 2 B 24 24 HIS HA H 1111 4.530 4.389 0.141 1 1 2155 . 18 2 2 B 24 24 HIS C C 1111 178.710 175.524 3.186 1 1 2156 . 18 2 2 B 24 24 HIS CA C 1111 57.200 60.102 -2.902 1 1 2157 . 18 2 2 B 24 24 HIS CB C 1111 30.200 29.772 0.428 1 1 2160 . 18 2 2 B 24 24 HIS N N 1111 117.760 117.558 0.202 1 1 2162 . 18 2 2 B 25 25 SER H H 1112 7.980 8.705 -0.725 1 1 2163 . 18 2 2 B 25 25 SER HA H 1112 4.340 4.126 0.214 1 1 2166 . 18 2 2 B 25 25 SER C C 1112 177.230 174.388 2.842 1 1 2167 . 18 2 2 B 25 25 SER CA C 1112 58.570 58.991 -0.421 1 1 2168 . 18 2 2 B 25 25 SER CB C 1112 63.800 60.785 3.015 1 1 2169 . 18 2 2 B 25 25 SER N N 1112 116.970 114.131 2.839 1 1 9 . 19 1 1 A 2 2 ASP H H 2 8.220 8.848 -0.628 1 1 10 . 19 1 1 A 2 2 ASP HA H 2 4.500 4.942 -0.442 1 1 13 . 19 1 1 A 2 2 ASP CA C 2 54.750 52.895 1.855 1 1 14 . 19 1 1 A 2 2 ASP CB C 2 41.350 40.656 0.694 1 1 15 . 19 1 1 A 2 2 ASP N N 2 121.760 125.102 -3.342 1 1 16 . 19 1 1 A 3 3 GLN H H 3 8.320 7.938 0.382 1 1 17 . 19 1 1 A 3 3 GLN HA H 3 4.240 4.024 0.216 1 1 24 . 19 1 1 A 3 3 GLN CA C 3 55.750 56.456 -0.706 1 1 25 . 19 1 1 A 3 3 GLN CB C 3 29.700 27.297 2.403 1 1 27 . 19 1 1 A 3 3 GLN N N 3 119.800 116.202 3.598 1 1 29 . 19 1 1 A 4 4 LEU H H 4 8.250 8.300 -0.050 1 1 30 . 19 1 1 A 4 4 LEU HA H 4 4.540 4.503 0.037 1 1 40 . 19 1 1 A 4 4 LEU C C 4 175.740 176.942 -1.202 1 1 41 . 19 1 1 A 4 4 LEU CA C 4 54.600 54.769 -0.169 1 1 42 . 19 1 1 A 4 4 LEU CB C 4 43.600 43.114 0.486 1 1 46 . 19 1 1 A 4 4 LEU N N 4 123.100 125.609 -2.509 1 1 47 . 19 1 1 A 5 5 THR H H 5 8.680 7.559 1.121 1 1 48 . 19 1 1 A 5 5 THR HA H 5 4.350 4.287 0.063 1 1 53 . 19 1 1 A 5 5 THR C C 5 175.750 175.527 0.223 1 1 54 . 19 1 1 A 5 5 THR CA C 5 60.500 63.902 -3.402 1 1 55 . 19 1 1 A 5 5 THR CB C 5 71.100 69.046 2.054 1 1 57 . 19 1 1 A 5 5 THR N N 5 112.700 113.477 -0.777 1 1 58 . 19 1 1 A 6 6 GLU H H 6 8.950 8.973 -0.023 1 1 59 . 19 1 1 A 6 6 GLU HA H 6 3.880 3.882 -0.002 1 1 64 . 19 1 1 A 6 6 GLU C C 6 177.790 178.380 -0.590 1 1 65 . 19 1 1 A 6 6 GLU CA C 6 60.200 59.912 0.288 1 1 66 . 19 1 1 A 6 6 GLU CB C 6 29.300 29.561 -0.261 1 1 68 . 19 1 1 A 6 6 GLU N N 6 119.950 126.786 -6.836 1 1 69 . 19 1 1 A 7 7 GLU H H 7 8.660 8.053 0.607 1 1 70 . 19 1 1 A 7 7 GLU HA H 7 3.940 3.981 -0.041 1 1 75 . 19 1 1 A 7 7 GLU C C 7 175.460 179.048 -3.588 1 1 76 . 19 1 1 A 7 7 GLU CA C 7 60.200 59.635 0.565 1 1 77 . 19 1 1 A 7 7 GLU CB C 7 29.100 29.343 -0.243 1 1 79 . 19 1 1 A 7 7 GLU N N 7 119.250 119.142 0.108 1 1 80 . 19 1 1 A 8 8 GLN H H 8 7.670 7.534 0.136 1 1 81 . 19 1 1 A 8 8 GLN HA H 8 3.760 4.190 -0.430 1 1 88 . 19 1 1 A 8 8 GLN C C 8 179.600 178.673 0.927 1 1 89 . 19 1 1 A 8 8 GLN CA C 8 58.800 58.539 0.261 1 1 90 . 19 1 1 A 8 8 GLN CB C 8 29.300 28.114 1.186 1 1 92 . 19 1 1 A 8 8 GLN N N 8 120.000 119.151 0.849 1 1 94 . 19 1 1 A 9 9 ILE H H 9 8.280 8.758 -0.478 1 1 95 . 19 1 1 A 9 9 ILE HA H 9 3.580 3.702 -0.122 1 1 105 . 19 1 1 A 9 9 ILE C C 9 179.270 177.865 1.405 1 1 106 . 19 1 1 A 9 9 ILE CA C 9 66.400 65.642 0.758 1 1 107 . 19 1 1 A 9 9 ILE CB C 9 38.100 37.968 0.132 1 1 111 . 19 1 1 A 9 9 ILE N N 9 119.400 119.971 -0.571 1 1 112 . 19 1 1 A 10 10 ALA H H 10 7.950 8.098 -0.148 1 1 113 . 19 1 1 A 10 10 ALA HA H 10 4.020 4.014 0.006 1 1 117 . 19 1 1 A 10 10 ALA C C 10 178.490 179.405 -0.915 1 1 118 . 19 1 1 A 10 10 ALA CA C 10 55.400 55.843 -0.443 1 1 119 . 19 1 1 A 10 10 ALA CB C 10 17.950 18.313 -0.363 1 1 120 . 19 1 1 A 10 10 ALA N N 10 121.000 122.285 -1.285 1 1 121 . 19 1 1 A 11 11 GLU H H 11 7.730 7.861 -0.131 1 1 122 . 19 1 1 A 11 11 GLU HA H 11 4.030 4.110 -0.080 1 1 127 . 19 1 1 A 11 11 GLU C C 11 177.860 179.380 -1.520 1 1 128 . 19 1 1 A 11 11 GLU CA C 11 59.500 59.491 0.009 1 1 129 . 19 1 1 A 11 11 GLU CB C 11 29.500 29.668 -0.168 1 1 131 . 19 1 1 A 11 11 GLU N N 11 119.700 118.804 0.896 1 1 132 . 19 1 1 A 12 12 PHE H H 12 8.470 8.442 0.028 1 1 133 . 19 1 1 A 12 12 PHE HA H 12 4.910 4.299 0.611 1 1 141 . 19 1 1 A 12 12 PHE C C 12 181.140 178.121 3.019 1 1 142 . 19 1 1 A 12 12 PHE CA C 12 59.200 61.373 -2.173 1 1 143 . 19 1 1 A 12 12 PHE CB C 12 37.700 38.606 -0.906 1 1 149 . 19 1 1 A 12 12 PHE N N 12 119.900 119.385 0.515 1 1 150 . 19 1 1 A 13 13 LYS H H 13 9.180 8.673 0.507 1 1 151 . 19 1 1 A 13 13 LYS HA H 13 3.860 3.852 0.008 1 1 160 . 19 1 1 A 13 13 LYS C C 13 180.730 178.639 2.091 1 1 161 . 19 1 1 A 13 13 LYS CA C 13 60.300 60.044 0.256 1 1 162 . 19 1 1 A 13 13 LYS CB C 13 31.900 32.661 -0.761 1 1 166 . 19 1 1 A 13 13 LYS N N 13 124.000 120.474 3.526 1 1 167 . 19 1 1 A 14 14 GLU H H 14 7.770 8.073 -0.303 1 1 168 . 19 1 1 A 14 14 GLU HA H 14 4.050 4.038 0.012 1 1 173 . 19 1 1 A 14 14 GLU C C 14 178.750 179.201 -0.451 1 1 174 . 19 1 1 A 14 14 GLU CA C 14 59.300 59.510 -0.210 1 1 175 . 19 1 1 A 14 14 GLU CB C 14 29.300 29.360 -0.060 1 1 177 . 19 1 1 A 14 14 GLU N N 14 120.060 118.662 1.398 1 1 178 . 19 1 1 A 15 15 ALA H H 15 8.020 7.489 0.531 1 1 179 . 19 1 1 A 15 15 ALA HA H 15 4.110 4.101 0.009 1 1 183 . 19 1 1 A 15 15 ALA C C 15 179.220 179.824 -0.604 1 1 184 . 19 1 1 A 15 15 ALA CA C 15 55.900 54.850 1.050 1 1 185 . 19 1 1 A 15 15 ALA CB C 15 18.430 17.852 0.578 1 1 186 . 19 1 1 A 15 15 ALA N N 15 121.660 122.741 -1.081 1 1 187 . 19 1 1 A 16 16 PHE H H 16 8.700 7.995 0.705 1 1 188 . 19 1 1 A 16 16 PHE HA H 16 3.190 3.584 -0.394 1 1 196 . 19 1 1 A 16 16 PHE C C 16 176.350 178.478 -2.128 1 1 197 . 19 1 1 A 16 16 PHE CA C 16 62.300 59.339 2.961 1 1 198 . 19 1 1 A 16 16 PHE CB C 16 39.800 37.863 1.937 1 1 204 . 19 1 1 A 16 16 PHE N N 16 118.400 116.329 2.071 1 1 205 . 19 1 1 A 17 17 SER H H 17 8.040 7.974 0.066 1 1 206 . 19 1 1 A 17 17 SER HA H 17 4.110 4.084 0.026 1 1 209 . 19 1 1 A 17 17 SER C C 17 178.820 175.785 3.035 1 1 210 . 19 1 1 A 17 17 SER CA C 17 61.600 61.689 -0.089 1 1 211 . 19 1 1 A 17 17 SER CB C 17 63.200 63.160 0.040 1 1 212 . 19 1 1 A 17 17 SER N N 17 114.290 115.328 -1.038 1 1 213 . 19 1 1 A 18 18 LEU H H 18 7.440 7.269 0.171 1 1 214 . 19 1 1 A 18 18 LEU HA H 18 3.970 3.949 0.021 1 1 224 . 19 1 1 A 18 18 LEU C C 18 178.630 178.029 0.601 1 1 225 . 19 1 1 A 18 18 LEU CA C 18 56.800 57.431 -0.631 1 1 226 . 19 1 1 A 18 18 LEU CB C 18 42.600 41.684 0.916 1 1 230 . 19 1 1 A 18 18 LEU N N 18 118.200 121.346 -3.146 1 1 231 . 19 1 1 A 19 19 PHE H H 19 7.330 6.307 1.023 1 1 232 . 19 1 1 A 19 19 PHE HA H 19 3.950 4.640 -0.690 1 1 240 . 19 1 1 A 19 19 PHE C C 19 174.460 175.378 -0.918 1 1 241 . 19 1 1 A 19 19 PHE CA C 19 59.300 57.089 2.211 1 1 242 . 19 1 1 A 19 19 PHE CB C 19 41.800 39.654 2.146 1 1 248 . 19 1 1 A 19 19 PHE N N 19 114.900 112.602 2.298 1 1 249 . 19 1 1 A 20 20 ASP H H 20 7.780 6.898 0.882 1 1 250 . 19 1 1 A 20 20 ASP HA H 20 4.480 5.080 -0.600 1 1 253 . 19 1 1 A 20 20 ASP C C 20 176.700 175.717 0.983 1 1 254 . 19 1 1 A 20 20 ASP CA C 20 52.400 53.403 -1.003 1 1 255 . 19 1 1 A 20 20 ASP CB C 20 39.400 39.272 0.128 1 1 256 . 19 1 1 A 20 20 ASP N N 20 117.700 122.267 -4.567 1 1 257 . 19 1 1 A 21 21 LYS H H 21 7.480 7.953 -0.473 1 1 258 . 19 1 1 A 21 21 LYS HA H 21 3.840 4.084 -0.244 1 1 267 . 19 1 1 A 21 21 LYS C C 21 175.550 177.592 -2.042 1 1 268 . 19 1 1 A 21 21 LYS CA C 21 58.300 59.345 -1.045 1 1 269 . 19 1 1 A 21 21 LYS CB C 21 32.600 32.797 -0.197 1 1 273 . 19 1 1 A 21 21 LYS N N 21 124.200 124.869 -0.669 1 1 274 . 19 1 1 A 22 22 ASP H H 22 7.910 7.986 -0.076 1 1 275 . 19 1 1 A 22 22 ASP HA H 22 4.460 4.641 -0.181 1 1 278 . 19 1 1 A 22 22 ASP C C 22 176.920 177.770 -0.850 1 1 279 . 19 1 1 A 22 22 ASP CA C 22 53.400 53.071 0.329 1 1 280 . 19 1 1 A 22 22 ASP CB C 22 39.800 39.846 -0.046 1 1 281 . 19 1 1 A 22 22 ASP N N 22 113.500 114.344 -0.844 1 1 282 . 19 1 1 A 23 23 GLY H H 23 7.540 7.998 -0.458 1 1 283 . 19 1 1 A 23 23 GLY HA2 H 23 3.730 3.866 -0.136 1 1 284 . 19 1 1 A 23 23 GLY HA3 H 23 3.730 3.868 -0.138 1 1 285 . 19 1 1 A 23 23 GLY C C 23 178.030 175.127 2.903 1 1 286 . 19 1 1 A 23 23 GLY CA C 23 47.400 47.249 0.151 1 1 287 . 19 1 1 A 23 23 GLY N N 23 109.200 108.899 0.301 1 1 288 . 19 1 1 A 24 24 ASP H H 24 8.430 7.787 0.643 1 1 289 . 19 1 1 A 24 24 ASP HA H 24 4.410 4.586 -0.176 1 1 292 . 19 1 1 A 24 24 ASP C C 24 177.580 177.569 0.011 1 1 293 . 19 1 1 A 24 24 ASP CA C 24 53.770 53.576 0.194 1 1 294 . 19 1 1 A 24 24 ASP CB C 24 40.200 40.320 -0.120 1 1 295 . 19 1 1 A 24 24 ASP N N 24 120.700 120.594 0.106 1 1 296 . 19 1 1 A 25 25 GLY H H 25 10.370 9.559 0.811 1 1 297 . 19 1 1 A 25 25 GLY HA2 H 25 4.240 3.970 0.270 1 1 298 . 19 1 1 A 25 25 GLY HA3 H 25 3.610 3.987 -0.377 1 1 299 . 19 1 1 A 25 25 GLY C C 25 175.160 173.585 1.575 1 1 300 . 19 1 1 A 25 25 GLY CA C 25 45.300 45.467 -0.167 1 1 301 . 19 1 1 A 25 25 GLY N N 25 112.100 112.027 0.073 1 1 302 . 19 1 1 A 26 26 THR H H 26 8.060 8.244 -0.184 1 1 303 . 19 1 1 A 26 26 THR HA H 26 5.430 5.030 0.400 1 1 308 . 19 1 1 A 26 26 THR C C 26 177.260 173.384 3.876 1 1 309 . 19 1 1 A 26 26 THR CA C 26 59.500 58.878 0.622 1 1 310 . 19 1 1 A 26 26 THR CB C 26 72.800 73.204 -0.404 1 1 312 . 19 1 1 A 26 26 THR N N 26 110.950 109.646 1.304 1 1 313 . 19 1 1 A 27 27 ILE H H 27 9.890 8.590 1.300 1 1 314 . 19 1 1 A 27 27 ILE HA H 27 4.680 4.851 -0.171 1 1 324 . 19 1 1 A 27 27 ILE C C 27 173.810 175.660 -1.850 1 1 325 . 19 1 1 A 27 27 ILE CA C 27 61.250 60.531 0.719 1 1 326 . 19 1 1 A 27 27 ILE CB C 27 40.700 38.632 2.068 1 1 330 . 19 1 1 A 27 27 ILE N N 27 125.400 124.625 0.775 1 1 331 . 19 1 1 A 28 28 THR H H 28 8.290 9.010 -0.720 1 1 332 . 19 1 1 A 28 28 THR HA H 28 4.680 4.923 -0.243 1 1 337 . 19 1 1 A 28 28 THR C C 28 173.550 176.071 -2.521 1 1 338 . 19 1 1 A 28 28 THR CA C 28 59.200 59.536 -0.336 1 1 339 . 19 1 1 A 28 28 THR CB C 28 72.600 72.112 0.488 1 1 341 . 19 1 1 A 28 28 THR N N 28 116.000 117.829 -1.829 1 1 342 . 19 1 1 A 29 29 THR H H 29 9.180 8.856 0.324 1 1 343 . 19 1 1 A 29 29 THR HA H 29 3.570 3.867 -0.297 1 1 348 . 19 1 1 A 29 29 THR C C 29 176.080 176.880 -0.800 1 1 349 . 19 1 1 A 29 29 THR CA C 29 66.100 66.651 -0.551 1 1 350 . 19 1 1 A 29 29 THR CB C 29 67.650 68.310 -0.660 1 1 352 . 19 1 1 A 29 29 THR N N 29 111.440 114.922 -3.482 1 1 353 . 19 1 1 A 30 30 LYS H H 30 7.340 8.169 -0.829 1 1 354 . 19 1 1 A 30 30 LYS HA H 30 3.960 3.970 -0.010 1 1 363 . 19 1 1 A 30 30 LYS C C 30 176.660 179.016 -2.356 1 1 364 . 19 1 1 A 30 30 LYS CA C 30 59.100 59.698 -0.598 1 1 365 . 19 1 1 A 30 30 LYS CB C 30 32.700 32.188 0.512 1 1 369 . 19 1 1 A 30 30 LYS N N 30 120.350 121.693 -1.343 1 1 370 . 19 1 1 A 31 31 GLU H H 31 7.760 8.336 -0.576 1 1 371 . 19 1 1 A 31 31 GLU HA H 31 4.000 4.110 -0.110 1 1 376 . 19 1 1 A 31 31 GLU C C 31 177.230 179.034 -1.804 1 1 377 . 19 1 1 A 31 31 GLU CA C 31 59.600 58.967 0.633 1 1 378 . 19 1 1 A 31 31 GLU CB C 31 29.600 28.356 1.244 1 1 380 . 19 1 1 A 31 31 GLU N N 31 122.300 117.639 4.661 1 1 381 . 19 1 1 A 32 32 LEU H H 32 8.370 8.192 0.178 1 1 382 . 19 1 1 A 32 32 LEU HA H 32 4.060 3.844 0.216 1 1 392 . 19 1 1 A 32 32 LEU C C 32 179.400 178.693 0.707 1 1 393 . 19 1 1 A 32 32 LEU CA C 32 57.550 57.837 -0.287 1 1 394 . 19 1 1 A 32 32 LEU CB C 32 41.700 41.989 -0.289 1 1 398 . 19 1 1 A 32 32 LEU N N 32 120.100 123.146 -3.046 1 1 399 . 19 1 1 A 33 33 GLY H H 33 8.650 8.032 0.618 1 1 400 . 19 1 1 A 33 33 GLY HA2 H 33 3.450 3.796 -0.346 1 1 401 . 19 1 1 A 33 33 GLY HA3 H 33 3.800 3.799 0.001 1 1 402 . 19 1 1 A 33 33 GLY C C 33 179.640 176.149 3.491 1 1 403 . 19 1 1 A 33 33 GLY CA C 33 48.300 47.717 0.583 1 1 404 . 19 1 1 A 33 33 GLY N N 33 105.700 106.141 -0.441 1 1 405 . 19 1 1 A 34 34 THR H H 34 8.070 7.684 0.386 1 1 406 . 19 1 1 A 34 34 THR HA H 34 3.790 4.017 -0.227 1 1 411 . 19 1 1 A 34 34 THR C C 34 178.670 176.093 2.577 1 1 412 . 19 1 1 A 34 34 THR CA C 34 67.300 66.980 0.320 1 1 413 . 19 1 1 A 34 34 THR CB C 34 68.700 68.638 0.062 1 1 415 . 19 1 1 A 34 34 THR N N 34 118.140 118.432 -0.292 1 1 416 . 19 1 1 A 35 35 VAL H H 35 7.510 7.666 -0.156 1 1 417 . 19 1 1 A 35 35 VAL HA H 35 3.480 3.559 -0.079 1 1 425 . 19 1 1 A 35 35 VAL C C 35 175.050 177.654 -2.604 1 1 426 . 19 1 1 A 35 35 VAL CA C 35 66.500 66.714 -0.214 1 1 427 . 19 1 1 A 35 35 VAL CB C 35 31.400 31.296 0.104 1 1 430 . 19 1 1 A 35 35 VAL N N 35 121.400 121.974 -0.574 1 1 431 . 19 1 1 A 36 36 MET H H 36 8.530 7.890 0.640 1 1 432 . 19 1 1 A 36 36 MET HA H 36 3.590 4.102 -0.512 1 1 440 . 19 1 1 A 36 36 MET C C 36 177.410 177.894 -0.484 1 1 441 . 19 1 1 A 36 36 MET CA C 36 61.900 58.537 3.363 1 1 442 . 19 1 1 A 36 36 MET CB C 36 32.600 31.032 1.568 1 1 445 . 19 1 1 A 36 36 MET N N 36 118.970 118.163 0.807 1 1 446 . 19 1 1 A 37 37 ARG H H 37 8.600 8.292 0.308 1 1 447 . 19 1 1 A 37 37 ARG HA H 37 4.720 4.044 0.676 1 1 454 . 19 1 1 A 37 37 ARG C C 37 179.250 178.675 0.575 1 1 455 . 19 1 1 A 37 37 ARG CA C 37 59.450 59.580 -0.130 1 1 456 . 19 1 1 A 37 37 ARG CB C 37 30.200 30.185 0.015 1 1 459 . 19 1 1 A 37 37 ARG N N 37 118.400 120.328 -1.928 1 1 460 . 19 1 1 A 38 38 SER H H 38 7.830 7.706 0.124 1 1 461 . 19 1 1 A 38 38 SER HA H 38 4.240 4.341 -0.101 1 1 464 . 19 1 1 A 38 38 SER C C 38 178.480 176.112 2.368 1 1 465 . 19 1 1 A 38 38 SER CA C 38 62.100 60.770 1.330 1 1 466 . 19 1 1 A 38 38 SER CB C 38 63.400 62.986 0.414 1 1 467 . 19 1 1 A 38 38 SER N N 38 119.400 114.249 5.151 1 1 468 . 19 1 1 A 39 39 LEU H H 39 7.280 8.134 -0.854 1 1 469 . 19 1 1 A 39 39 LEU HA H 39 4.360 4.286 0.074 1 1 479 . 19 1 1 A 39 39 LEU C C 39 178.240 177.072 1.168 1 1 480 . 19 1 1 A 39 39 LEU CA C 39 54.300 55.031 -0.731 1 1 481 . 19 1 1 A 39 39 LEU CB C 39 42.100 42.334 -0.234 1 1 485 . 19 1 1 A 39 39 LEU N N 39 119.950 119.356 0.594 1 1 486 . 19 1 1 A 40 40 GLY H H 40 7.740 8.177 -0.437 1 1 487 . 19 1 1 A 40 40 GLY HA2 H 40 4.140 3.941 0.199 1 1 488 . 19 1 1 A 40 40 GLY HA3 H 40 3.650 3.943 -0.293 1 1 489 . 19 1 1 A 40 40 GLY C C 40 176.140 173.928 2.212 1 1 490 . 19 1 1 A 40 40 GLY CA C 40 45.300 45.685 -0.385 1 1 491 . 19 1 1 A 40 40 GLY N N 40 105.750 107.008 -1.258 1 1 492 . 19 1 1 A 41 41 GLN H H 41 7.710 7.681 0.029 1 1 493 . 19 1 1 A 41 41 GLN HA H 41 4.360 4.699 -0.339 1 1 500 . 19 1 1 A 41 41 GLN C C 41 176.700 174.739 1.961 1 1 501 . 19 1 1 A 41 41 GLN CA C 41 54.900 54.181 0.719 1 1 502 . 19 1 1 A 41 41 GLN CB C 41 29.600 31.689 -2.089 1 1 504 . 19 1 1 A 41 41 GLN N N 41 118.400 120.090 -1.690 1 1 506 . 19 1 1 A 42 42 ASN H H 42 8.640 8.753 -0.113 1 1 507 . 19 1 1 A 42 42 ASN HA H 42 5.150 5.501 -0.351 1 1 512 . 19 1 1 A 42 42 ASN CA C 42 51.200 50.727 0.473 1 1 513 . 19 1 1 A 42 42 ASN CB C 42 39.500 39.514 -0.014 1 1 514 . 19 1 1 A 42 42 ASN N N 42 115.610 122.788 -7.178 1 1 516 . 19 1 1 A 43 43 PRO HA H 43 4.540 4.535 0.005 1 1 523 . 19 1 1 A 43 43 PRO C C 43 179.440 177.365 2.075 1 1 524 . 19 1 1 A 43 43 PRO CA C 43 62.450 62.908 -0.458 1 1 525 . 19 1 1 A 43 43 PRO CB C 43 31.500 32.105 -0.605 1 1 528 . 19 1 1 A 44 44 THR H H 44 8.660 8.648 0.012 1 1 529 . 19 1 1 A 44 44 THR HA H 44 4.340 4.589 -0.249 1 1 534 . 19 1 1 A 44 44 THR CA C 44 60.450 62.459 -2.009 1 1 535 . 19 1 1 A 44 44 THR CB C 44 71.400 69.705 1.695 1 1 537 . 19 1 1 A 44 44 THR N N 44 112.600 117.092 -4.492 1 1 538 . 19 1 1 A 45 45 GLU H H 45 8.720 8.983 -0.263 1 1 539 . 19 1 1 A 45 45 GLU HA H 45 3.870 4.011 -0.141 1 1 544 . 19 1 1 A 45 45 GLU C C 45 174.270 178.517 -4.247 1 1 545 . 19 1 1 A 45 45 GLU CA C 45 59.900 59.373 0.527 1 1 546 . 19 1 1 A 45 45 GLU CB C 45 29.200 29.089 0.111 1 1 548 . 19 1 1 A 45 45 GLU N N 45 120.150 123.431 -3.281 1 1 549 . 19 1 1 A 46 46 ALA H H 46 8.200 8.278 -0.078 1 1 550 . 19 1 1 A 46 46 ALA HA H 46 3.980 4.045 -0.065 1 1 554 . 19 1 1 A 46 46 ALA C C 46 175.180 179.967 -4.787 1 1 555 . 19 1 1 A 46 46 ALA CA C 46 55.100 54.904 0.196 1 1 556 . 19 1 1 A 46 46 ALA CB C 46 18.300 18.378 -0.078 1 1 557 . 19 1 1 A 46 46 ALA N N 46 120.450 121.899 -1.449 1 1 558 . 19 1 1 A 47 47 GLU H H 47 7.630 8.070 -0.440 1 1 559 . 19 1 1 A 47 47 GLU HA H 47 3.890 4.127 -0.237 1 1 564 . 19 1 1 A 47 47 GLU C C 47 179.020 179.023 -0.003 1 1 565 . 19 1 1 A 47 47 GLU CA C 47 59.500 58.790 0.710 1 1 566 . 19 1 1 A 47 47 GLU CB C 47 29.600 29.326 0.274 1 1 568 . 19 1 1 A 47 47 GLU N N 47 118.320 118.514 -0.194 1 1 569 . 19 1 1 A 48 48 LEU H H 48 7.880 8.180 -0.300 1 1 570 . 19 1 1 A 48 48 LEU HA H 48 3.790 3.970 -0.180 1 1 580 . 19 1 1 A 48 48 LEU C C 48 180.200 179.629 0.571 1 1 581 . 19 1 1 A 48 48 LEU CA C 48 58.150 57.867 0.283 1 1 582 . 19 1 1 A 48 48 LEU CB C 48 42.800 41.773 1.027 1 1 586 . 19 1 1 A 48 48 LEU N N 48 119.000 120.087 -1.087 1 1 587 . 19 1 1 A 49 49 GLN H H 49 8.080 7.789 0.291 1 1 588 . 19 1 1 A 49 49 GLN HA H 49 3.630 4.017 -0.387 1 1 595 . 19 1 1 A 49 49 GLN C C 49 177.680 178.239 -0.559 1 1 596 . 19 1 1 A 49 49 GLN CA C 49 58.600 58.929 -0.329 1 1 597 . 19 1 1 A 49 49 GLN CB C 49 28.500 28.659 -0.159 1 1 599 . 19 1 1 A 49 49 GLN N N 49 117.400 118.724 -1.324 1 1 601 . 19 1 1 A 50 50 ASP H H 50 7.960 8.143 -0.183 1 1 602 . 19 1 1 A 50 50 ASP HA H 50 4.300 4.313 -0.013 1 1 605 . 19 1 1 A 50 50 ASP C C 50 178.470 179.099 -0.629 1 1 606 . 19 1 1 A 50 50 ASP CA C 50 57.700 57.562 0.138 1 1 607 . 19 1 1 A 50 50 ASP CB C 50 40.600 40.296 0.304 1 1 608 . 19 1 1 A 50 50 ASP N N 50 119.050 119.796 -0.746 1 1 609 . 19 1 1 A 51 51 MET H H 51 7.750 8.181 -0.431 1 1 610 . 19 1 1 A 51 51 MET HA H 51 4.000 4.233 -0.233 1 1 618 . 19 1 1 A 51 51 MET C C 51 178.170 178.796 -0.626 1 1 619 . 19 1 1 A 51 51 MET CA C 51 59.500 58.366 1.134 1 1 620 . 19 1 1 A 51 51 MET CB C 51 34.700 33.281 1.419 1 1 623 . 19 1 1 A 51 51 MET N N 51 117.900 118.198 -0.298 1 1 624 . 19 1 1 A 52 52 ILE H H 52 7.580 7.940 -0.360 1 1 625 . 19 1 1 A 52 52 ILE HA H 52 3.620 3.498 0.122 1 1 635 . 19 1 1 A 52 52 ILE C C 52 178.690 177.810 0.880 1 1 636 . 19 1 1 A 52 52 ILE CA C 52 63.600 65.225 -1.625 1 1 637 . 19 1 1 A 52 52 ILE CB C 52 36.700 37.844 -1.144 1 1 641 . 19 1 1 A 52 52 ILE N N 52 116.850 119.334 -2.484 1 1 642 . 19 1 1 A 53 53 ASN H H 53 8.570 8.426 0.144 1 1 643 . 19 1 1 A 53 53 ASN HA H 53 4.310 4.428 -0.118 1 1 648 . 19 1 1 A 53 53 ASN CA C 53 56.400 56.466 -0.066 1 1 649 . 19 1 1 A 53 53 ASN CB C 53 38.300 37.950 0.350 1 1 650 . 19 1 1 A 53 53 ASN N N 53 116.900 118.125 -1.225 1 1 652 . 19 1 1 A 54 54 GLU H H 54 7.520 7.604 -0.084 1 1 653 . 19 1 1 A 54 54 GLU HA H 54 3.950 4.070 -0.120 1 1 658 . 19 1 1 A 54 54 GLU C C 54 178.070 178.697 -0.627 1 1 659 . 19 1 1 A 54 54 GLU CA C 54 59.000 59.193 -0.193 1 1 660 . 19 1 1 A 54 54 GLU CB C 54 29.800 29.276 0.524 1 1 662 . 19 1 1 A 54 54 GLU N N 54 115.650 120.471 -4.821 1 1 663 . 19 1 1 A 55 55 VAL H H 55 7.020 7.202 -0.182 1 1 664 . 19 1 1 A 55 55 VAL HA H 55 4.110 4.009 0.101 1 1 672 . 19 1 1 A 55 55 VAL C C 55 177.890 176.432 1.458 1 1 673 . 19 1 1 A 55 55 VAL CA C 55 61.210 64.828 -3.618 1 1 674 . 19 1 1 A 55 55 VAL CB C 55 33.100 32.047 1.053 1 1 677 . 19 1 1 A 55 55 VAL N N 55 111.500 118.049 -6.549 1 1 678 . 19 1 1 A 56 56 ASP H H 56 7.460 7.908 -0.448 1 1 679 . 19 1 1 A 56 56 ASP HA H 56 4.360 4.635 -0.275 1 1 682 . 19 1 1 A 56 56 ASP C C 56 177.620 176.638 0.982 1 1 683 . 19 1 1 A 56 56 ASP CA C 56 53.550 53.602 -0.052 1 1 684 . 19 1 1 A 56 56 ASP CB C 56 40.600 40.425 0.175 1 1 685 . 19 1 1 A 56 56 ASP N N 56 121.330 121.695 -0.365 1 1 686 . 19 1 1 A 57 57 ALA H H 57 7.780 8.280 -0.500 1 1 687 . 19 1 1 A 57 57 ALA HA H 57 4.080 4.080 0.000 1 1 691 . 19 1 1 A 57 57 ALA C C 57 175.320 178.398 -3.078 1 1 692 . 19 1 1 A 57 57 ALA CA C 57 55.000 55.065 -0.065 1 1 693 . 19 1 1 A 57 57 ALA CB C 57 19.800 18.536 1.264 1 1 694 . 19 1 1 A 57 57 ALA N N 57 130.400 128.102 2.298 1 1 695 . 19 1 1 A 58 58 ASP H H 58 8.140 8.178 -0.038 1 1 696 . 19 1 1 A 58 58 ASP HA H 58 4.540 4.565 -0.025 1 1 699 . 19 1 1 A 58 58 ASP C C 58 176.130 177.500 -1.370 1 1 700 . 19 1 1 A 58 58 ASP CA C 58 52.950 53.249 -0.299 1 1 701 . 19 1 1 A 58 58 ASP CB C 58 40.100 40.009 0.091 1 1 702 . 19 1 1 A 58 58 ASP N N 58 113.200 113.168 0.032 1 1 703 . 19 1 1 A 59 59 GLY H H 59 7.530 7.668 -0.138 1 1 704 . 19 1 1 A 59 59 GLY HA2 H 59 3.700 3.913 -0.213 1 1 705 . 19 1 1 A 59 59 GLY HA3 H 59 3.820 3.915 -0.095 1 1 706 . 19 1 1 A 59 59 GLY C C 59 178.830 175.287 3.543 1 1 707 . 19 1 1 A 59 59 GLY CA C 59 47.450 46.987 0.463 1 1 708 . 19 1 1 A 59 59 GLY N N 59 108.180 109.279 -1.099 1 1 709 . 19 1 1 A 60 60 ASN H H 60 8.080 8.715 -0.635 1 1 710 . 19 1 1 A 60 60 ASN HA H 60 4.500 4.687 -0.187 1 1 715 . 19 1 1 A 60 60 ASN CA C 60 52.900 52.564 0.336 1 1 716 . 19 1 1 A 60 60 ASN CB C 60 37.900 37.896 0.004 1 1 717 . 19 1 1 A 60 60 ASN N N 60 118.700 118.534 0.166 1 1 719 . 19 1 1 A 61 61 GLY H H 61 10.640 10.094 0.546 1 1 720 . 19 1 1 A 61 61 GLY HA2 H 61 3.370 3.882 -0.512 1 1 721 . 19 1 1 A 61 61 GLY HA3 H 61 4.190 3.886 0.304 1 1 722 . 19 1 1 A 61 61 GLY C C 61 174.970 173.438 1.532 1 1 723 . 19 1 1 A 61 61 GLY CA C 61 45.300 45.436 -0.136 1 1 724 . 19 1 1 A 61 61 GLY N N 61 113.400 111.900 1.500 1 1 725 . 19 1 1 A 62 62 THR H H 62 7.550 7.808 -0.258 1 1 726 . 19 1 1 A 62 62 THR HA H 62 4.620 4.942 -0.322 1 1 731 . 19 1 1 A 62 62 THR C C 62 176.870 172.710 4.160 1 1 732 . 19 1 1 A 62 62 THR CA C 62 59.550 59.660 -0.110 1 1 733 . 19 1 1 A 62 62 THR CB C 62 72.500 72.654 -0.154 1 1 735 . 19 1 1 A 62 62 THR N N 62 107.860 109.824 -1.964 1 1 736 . 19 1 1 A 63 63 ILE H H 63 8.790 8.519 0.271 1 1 737 . 19 1 1 A 63 63 ILE HA H 63 5.280 5.009 0.271 1 1 747 . 19 1 1 A 63 63 ILE C C 63 173.250 175.375 -2.125 1 1 748 . 19 1 1 A 63 63 ILE CA C 63 57.600 59.834 -2.234 1 1 749 . 19 1 1 A 63 63 ILE CB C 63 39.400 39.811 -0.411 1 1 753 . 19 1 1 A 63 63 ILE N N 63 123.900 121.589 2.311 1 1 754 . 19 1 1 A 64 64 ASP H H 64 8.720 8.698 0.022 1 1 755 . 19 1 1 A 64 64 ASP HA H 64 5.350 5.124 0.226 1 1 758 . 19 1 1 A 64 64 ASP C C 64 172.850 176.371 -3.521 1 1 759 . 19 1 1 A 64 64 ASP CA C 64 52.100 52.218 -0.118 1 1 760 . 19 1 1 A 64 64 ASP CB C 64 42.150 42.284 -0.134 1 1 761 . 19 1 1 A 64 64 ASP N N 64 127.860 128.010 -0.150 1 1 762 . 19 1 1 A 65 65 PHE H H 65 8.840 9.224 -0.384 1 1 763 . 19 1 1 A 65 65 PHE HA H 65 3.890 4.906 -1.016 1 1 771 . 19 1 1 A 65 65 PHE C C 65 175.750 174.662 1.088 1 1 772 . 19 1 1 A 65 65 PHE CA C 65 63.300 63.964 -0.664 1 1 773 . 19 1 1 A 65 65 PHE CB C 65 36.100 37.376 -1.276 1 1 779 . 19 1 1 A 65 65 PHE N N 65 117.500 119.435 -1.935 1 1 780 . 19 1 1 A 66 66 PRO HA H 66 3.770 4.381 -0.611 1 1 787 . 19 1 1 A 66 66 PRO C C 66 175.840 179.506 -3.666 1 1 788 . 19 1 1 A 66 66 PRO CA C 66 67.100 66.430 0.670 1 1 789 . 19 1 1 A 66 66 PRO CB C 66 30.700 30.978 -0.278 1 1 792 . 19 1 1 A 67 67 GLU H H 67 8.340 8.455 -0.115 1 1 793 . 19 1 1 A 67 67 GLU HA H 67 3.920 4.150 -0.230 1 1 798 . 19 1 1 A 67 67 GLU CA C 67 59.400 59.175 0.225 1 1 799 . 19 1 1 A 67 67 GLU CB C 67 29.650 29.243 0.407 1 1 801 . 19 1 1 A 67 67 GLU N N 67 117.850 117.981 -0.131 1 1 802 . 19 1 1 A 68 68 PHE H H 68 8.630 8.220 0.410 1 1 803 . 19 1 1 A 68 68 PHE HA H 68 3.670 4.174 -0.504 1 1 811 . 19 1 1 A 68 68 PHE C C 68 174.810 177.653 -2.843 1 1 812 . 19 1 1 A 68 68 PHE CA C 68 61.400 61.274 0.126 1 1 813 . 19 1 1 A 68 68 PHE CB C 68 40.700 39.273 1.427 1 1 819 . 19 1 1 A 68 68 PHE N N 68 123.200 123.329 -0.129 1 1 820 . 19 1 1 A 69 69 LEU H H 69 8.800 8.776 0.024 1 1 821 . 19 1 1 A 69 69 LEU HA H 69 3.130 4.131 -1.001 1 1 831 . 19 1 1 A 69 69 LEU C C 69 179.310 179.064 0.246 1 1 832 . 19 1 1 A 69 69 LEU CA C 69 58.000 58.327 -0.327 1 1 833 . 19 1 1 A 69 69 LEU CB C 69 41.550 41.838 -0.288 1 1 837 . 19 1 1 A 69 69 LEU N N 69 119.930 119.918 0.012 1 1 838 . 19 1 1 A 70 70 THR H H 70 7.550 7.657 -0.107 1 1 839 . 19 1 1 A 70 70 THR HA H 70 3.530 3.818 -0.288 1 1 844 . 19 1 1 A 70 70 THR C C 70 180.360 177.086 3.274 1 1 845 . 19 1 1 A 70 70 THR CA C 70 66.700 66.854 -0.154 1 1 846 . 19 1 1 A 70 70 THR CB C 70 68.500 68.398 0.102 1 1 848 . 19 1 1 A 70 70 THR N N 70 114.730 114.338 0.392 1 1 849 . 19 1 1 A 71 71 MET H H 71 7.000 8.497 -1.497 1 1 850 . 19 1 1 A 71 71 MET HA H 71 3.640 4.128 -0.488 1 1 858 . 19 1 1 A 71 71 MET C C 71 176.750 178.925 -2.175 1 1 859 . 19 1 1 A 71 71 MET CA C 71 58.800 58.448 0.352 1 1 860 . 19 1 1 A 71 71 MET CB C 71 32.000 32.192 -0.192 1 1 863 . 19 1 1 A 71 71 MET N N 71 119.750 118.949 0.801 1 1 864 . 19 1 1 A 72 72 MET H H 72 7.810 7.984 -0.174 1 1 865 . 19 1 1 A 72 72 MET HA H 72 3.880 4.160 -0.280 1 1 873 . 19 1 1 A 72 72 MET C C 72 174.850 178.310 -3.460 1 1 874 . 19 1 1 A 72 72 MET CA C 72 55.100 59.031 -3.931 1 1 875 . 19 1 1 A 72 72 MET CB C 72 28.900 32.986 -4.086 1 1 878 . 19 1 1 A 72 72 MET N N 72 115.300 118.293 -2.993 1 1 879 . 19 1 1 A 73 73 ALA H H 73 7.880 8.293 -0.413 1 1 880 . 19 1 1 A 73 73 ALA HA H 73 3.990 4.016 -0.026 1 1 884 . 19 1 1 A 73 73 ALA C C 73 177.940 178.953 -1.013 1 1 885 . 19 1 1 A 73 73 ALA CA C 73 53.900 55.294 -1.394 1 1 886 . 19 1 1 A 73 73 ALA CB C 73 18.600 18.381 0.219 1 1 887 . 19 1 1 A 73 73 ALA N N 73 120.000 121.046 -1.046 1 1 888 . 19 1 1 A 74 74 ARG H H 74 7.050 7.624 -0.574 1 1 889 . 19 1 1 A 74 74 ARG HA H 74 4.040 4.360 -0.320 1 1 896 . 19 1 1 A 74 74 ARG C C 74 178.910 176.221 2.689 1 1 897 . 19 1 1 A 74 74 ARG CA C 74 57.400 57.426 -0.026 1 1 898 . 19 1 1 A 74 74 ARG CB C 74 30.900 30.581 0.319 1 1 901 . 19 1 1 A 74 74 ARG N N 74 115.850 114.828 1.022 1 1 902 . 19 1 1 A 75 75 LYS H H 75 7.820 7.637 0.183 1 1 903 . 19 1 1 A 75 75 LYS HA H 75 4.200 4.316 -0.116 1 1 912 . 19 1 1 A 75 75 LYS C C 75 178.770 176.567 2.203 1 1 913 . 19 1 1 A 75 75 LYS CA C 75 55.900 55.026 0.874 1 1 914 . 19 1 1 A 75 75 LYS CB C 75 32.600 30.926 1.674 1 1 918 . 19 1 1 A 75 75 LYS N N 75 119.600 121.512 -1.912 1 1 919 . 19 1 1 A 76 76 MET H H 76 8.100 8.261 -0.161 1 1 920 . 19 1 1 A 76 76 MET HA H 76 4.300 4.843 -0.543 1 1 928 . 19 1 1 A 76 76 MET C C 76 176.990 175.916 1.074 1 1 929 . 19 1 1 A 76 76 MET CA C 76 55.800 53.965 1.835 1 1 930 . 19 1 1 A 76 76 MET CB C 76 33.800 32.939 0.861 1 1 933 . 19 1 1 A 76 76 MET N N 76 122.300 124.380 -2.080 1 1 934 . 19 1 1 A 77 77 LYS H H 77 8.150 7.520 0.630 1 1 935 . 19 1 1 A 77 77 LYS HA H 77 4.210 4.113 0.097 1 1 944 . 19 1 1 A 77 77 LYS C C 77 176.890 175.330 1.560 1 1 945 . 19 1 1 A 77 77 LYS CA C 77 56.100 56.868 -0.768 1 1 946 . 19 1 1 A 77 77 LYS CB C 77 33.000 32.788 0.212 1 1 950 . 19 1 1 A 77 77 LYS N N 77 121.300 122.520 -1.220 1 1 951 . 19 1 1 A 78 78 ASP H H 78 8.240 8.769 -0.529 1 1 952 . 19 1 1 A 78 78 ASP HA H 78 4.500 5.514 -1.014 1 1 955 . 19 1 1 A 78 78 ASP C C 78 176.090 175.326 0.764 1 1 956 . 19 1 1 A 78 78 ASP CA C 78 54.700 52.837 1.863 1 1 957 . 19 1 1 A 78 78 ASP CB C 78 41.300 43.230 -1.930 1 1 958 . 19 1 1 A 78 78 ASP N N 78 122.200 124.091 -1.891 1 1 959 . 19 1 1 A 79 79 THR H H 79 8.150 8.872 -0.722 1 1 960 . 19 1 1 A 79 79 THR HA H 79 4.220 5.022 -0.802 1 1 965 . 19 1 1 A 79 79 THR C C 79 176.240 172.565 3.675 1 1 966 . 19 1 1 A 79 79 THR CA C 79 61.500 60.037 1.463 1 1 967 . 19 1 1 A 79 79 THR CB C 79 70.300 71.905 -1.605 1 1 969 . 19 1 1 A 79 79 THR N N 79 114.940 112.500 2.440 1 1 970 . 19 1 1 A 80 80 ASP H H 80 8.480 8.512 -0.032 1 1 971 . 19 1 1 A 80 80 ASP HA H 80 4.600 4.613 -0.013 1 1 974 . 19 1 1 A 80 80 ASP C C 80 176.230 177.347 -1.117 1 1 975 . 19 1 1 A 80 80 ASP CA C 80 54.100 54.744 -0.644 1 1 976 . 19 1 1 A 80 80 ASP CB C 80 41.600 42.273 -0.673 1 1 977 . 19 1 1 A 80 80 ASP N N 80 123.800 126.003 -2.203 1 1 978 . 19 1 1 A 81 81 SER H H 81 8.500 9.016 -0.516 1 1 979 . 19 1 1 A 81 81 SER HA H 81 4.220 4.095 0.125 1 1 982 . 19 1 1 A 81 81 SER C C 81 173.900 176.640 -2.740 1 1 983 . 19 1 1 A 81 81 SER CA C 81 60.400 61.776 -1.376 1 1 984 . 19 1 1 A 81 81 SER CB C 81 63.700 62.700 1.000 1 1 985 . 19 1 1 A 81 81 SER N N 81 118.450 122.667 -4.217 1 1 986 . 19 1 1 A 82 82 GLU H H 82 8.430 8.058 0.372 1 1 987 . 19 1 1 A 82 82 GLU HA H 82 4.010 4.165 -0.155 1 1 992 . 19 1 1 A 82 82 GLU C C 82 176.370 179.244 -2.874 1 1 993 . 19 1 1 A 82 82 GLU CA C 82 59.100 59.290 -0.190 1 1 994 . 19 1 1 A 82 82 GLU CB C 82 29.600 29.126 0.474 1 1 996 . 19 1 1 A 82 82 GLU N N 82 121.850 120.903 0.947 1 1 997 . 19 1 1 A 83 83 GLU H H 83 8.020 9.080 -1.060 1 1 998 . 19 1 1 A 83 83 GLU HA H 83 4.040 4.034 0.006 1 1 1003 . 19 1 1 A 83 83 GLU C C 83 175.890 178.892 -3.002 1 1 1004 . 19 1 1 A 83 83 GLU CA C 83 58.800 59.511 -0.711 1 1 1005 . 19 1 1 A 83 83 GLU CB C 83 29.400 29.163 0.237 1 1 1007 . 19 1 1 A 83 83 GLU N N 83 119.470 119.731 -0.261 1 1 1008 . 19 1 1 A 84 84 GLU H H 84 7.930 7.849 0.081 1 1 1009 . 19 1 1 A 84 84 GLU HA H 84 4.150 4.154 -0.004 1 1 1014 . 19 1 1 A 84 84 GLU C C 84 176.160 179.443 -3.283 1 1 1015 . 19 1 1 A 84 84 GLU CA C 84 59.400 58.808 0.592 1 1 1016 . 19 1 1 A 84 84 GLU CB C 84 29.600 29.459 0.141 1 1 1018 . 19 1 1 A 84 84 GLU N N 84 118.310 119.322 -1.012 1 1 1019 . 19 1 1 A 85 85 ILE H H 85 7.880 8.010 -0.130 1 1 1020 . 19 1 1 A 85 85 ILE HA H 85 3.880 3.716 0.164 1 1 1030 . 19 1 1 A 85 85 ILE C C 85 179.870 177.596 2.274 1 1 1031 . 19 1 1 A 85 85 ILE CA C 85 65.400 65.004 0.396 1 1 1032 . 19 1 1 A 85 85 ILE CB C 85 37.400 37.680 -0.280 1 1 1036 . 19 1 1 A 85 85 ILE N N 85 120.900 121.068 -0.168 1 1 1037 . 19 1 1 A 86 86 ARG H H 86 7.990 7.841 0.149 1 1 1038 . 19 1 1 A 86 86 ARG HA H 86 4.030 4.031 -0.001 1 1 1045 . 19 1 1 A 86 86 ARG C C 86 180.520 179.179 1.341 1 1 1046 . 19 1 1 A 86 86 ARG CA C 86 60.200 60.054 0.146 1 1 1047 . 19 1 1 A 86 86 ARG CB C 86 29.800 29.828 -0.028 1 1 1050 . 19 1 1 A 86 86 ARG N N 86 121.000 119.534 1.466 1 1 1051 . 19 1 1 A 87 87 GLU H H 87 8.350 8.529 -0.179 1 1 1052 . 19 1 1 A 87 87 GLU HA H 87 3.900 4.076 -0.176 1 1 1057 . 19 1 1 A 87 87 GLU C C 87 177.380 179.503 -2.123 1 1 1058 . 19 1 1 A 87 87 GLU CA C 87 59.600 59.441 0.159 1 1 1059 . 19 1 1 A 87 87 GLU CB C 87 29.500 29.717 -0.217 1 1 1061 . 19 1 1 A 87 87 GLU N N 87 117.860 119.721 -1.861 1 1 1062 . 19 1 1 A 88 88 ALA H H 88 7.880 7.831 0.049 1 1 1063 . 19 1 1 A 88 88 ALA HA H 88 4.060 4.216 -0.156 1 1 1067 . 19 1 1 A 88 88 ALA C C 88 178.580 179.662 -1.082 1 1 1068 . 19 1 1 A 88 88 ALA CA C 88 55.200 54.885 0.315 1 1 1069 . 19 1 1 A 88 88 ALA CB C 88 17.900 18.214 -0.314 1 1 1070 . 19 1 1 A 88 88 ALA N N 88 120.100 122.704 -2.604 1 1 1071 . 19 1 1 A 89 89 PHE H H 89 8.550 7.818 0.732 1 1 1072 . 19 1 1 A 89 89 PHE HA H 89 4.000 3.732 0.268 1 1 1080 . 19 1 1 A 89 89 PHE C C 89 179.770 177.287 2.483 1 1 1081 . 19 1 1 A 89 89 PHE CA C 89 61.800 61.259 0.541 1 1 1082 . 19 1 1 A 89 89 PHE CB C 89 39.130 39.031 0.099 1 1 1088 . 19 1 1 A 89 89 PHE N N 89 118.760 119.417 -0.657 1 1 1089 . 19 1 1 A 90 90 ARG H H 90 7.750 7.854 -0.104 1 1 1090 . 19 1 1 A 90 90 ARG HA H 90 3.760 4.061 -0.301 1 1 1097 . 19 1 1 A 90 90 ARG C C 90 179.090 178.823 0.267 1 1 1098 . 19 1 1 A 90 90 ARG CA C 90 58.800 59.237 -0.437 1 1 1099 . 19 1 1 A 90 90 ARG CB C 90 30.500 29.808 0.692 1 1 1102 . 19 1 1 A 90 90 ARG N N 90 115.100 118.495 -3.395 1 1 1103 . 19 1 1 A 91 91 VAL H H 91 7.270 7.559 -0.289 1 1 1104 . 19 1 1 A 91 91 VAL HA H 91 3.360 3.578 -0.218 1 1 1112 . 19 1 1 A 91 91 VAL C C 91 179.060 178.047 1.013 1 1 1113 . 19 1 1 A 91 91 VAL CA C 91 66.050 66.374 -0.324 1 1 1114 . 19 1 1 A 91 91 VAL CB C 91 31.200 31.756 -0.556 1 1 1117 . 19 1 1 A 91 91 VAL N N 91 117.450 119.568 -2.118 1 1 1118 . 19 1 1 A 92 92 PHE H H 92 7.000 7.794 -0.794 1 1 1119 . 19 1 1 A 92 92 PHE HA H 92 4.070 4.163 -0.093 1 1 1127 . 19 1 1 A 92 92 PHE C C 92 177.490 176.380 1.110 1 1 1128 . 19 1 1 A 92 92 PHE CA C 92 60.700 59.946 0.754 1 1 1129 . 19 1 1 A 92 92 PHE CB C 92 38.000 39.389 -1.389 1 1 1135 . 19 1 1 A 92 92 PHE N N 92 114.400 118.517 -4.117 1 1 1136 . 19 1 1 A 93 93 ASP H H 93 7.870 8.150 -0.280 1 1 1137 . 19 1 1 A 93 93 ASP HA H 93 4.450 4.437 0.013 1 1 1140 . 19 1 1 A 93 93 ASP C C 93 176.830 176.272 0.558 1 1 1141 . 19 1 1 A 93 93 ASP CA C 93 52.300 52.280 0.020 1 1 1142 . 19 1 1 A 93 93 ASP CB C 93 38.800 39.059 -0.259 1 1 1143 . 19 1 1 A 93 93 ASP N N 93 115.100 116.994 -1.894 1 1 1144 . 19 1 1 A 94 94 LYS H H 94 7.510 7.846 -0.336 1 1 1145 . 19 1 1 A 94 94 LYS HA H 94 3.770 3.794 -0.024 1 1 1154 . 19 1 1 A 94 94 LYS C C 94 176.650 177.667 -1.017 1 1 1155 . 19 1 1 A 94 94 LYS CA C 94 59.400 59.902 -0.502 1 1 1156 . 19 1 1 A 94 94 LYS CB C 94 32.800 32.140 0.660 1 1 1160 . 19 1 1 A 94 94 LYS N N 94 124.250 126.597 -2.347 1 1 1161 . 19 1 1 A 95 95 ASP H H 95 8.190 7.653 0.537 1 1 1162 . 19 1 1 A 95 95 ASP HA H 95 4.430 4.598 -0.168 1 1 1165 . 19 1 1 A 95 95 ASP C C 95 177.580 177.602 -0.022 1 1 1166 . 19 1 1 A 95 95 ASP CA C 95 53.600 53.188 0.412 1 1 1167 . 19 1 1 A 95 95 ASP CB C 95 39.900 39.939 -0.039 1 1 1168 . 19 1 1 A 95 95 ASP N N 95 113.600 114.883 -1.283 1 1 1169 . 19 1 1 A 96 96 GLY H H 96 7.770 7.969 -0.199 1 1 1170 . 19 1 1 A 96 96 GLY HA2 H 96 3.750 3.919 -0.169 1 1 1171 . 19 1 1 A 96 96 GLY HA3 H 96 3.750 3.920 -0.170 1 1 1172 . 19 1 1 A 96 96 GLY C C 96 178.400 175.480 2.920 1 1 1173 . 19 1 1 A 96 96 GLY CA C 96 47.100 47.021 0.079 1 1 1174 . 19 1 1 A 96 96 GLY N N 96 108.900 109.106 -0.206 1 1 1175 . 19 1 1 A 97 97 ASN H H 97 8.270 8.038 0.232 1 1 1176 . 19 1 1 A 97 97 ASN HA H 97 4.520 4.772 -0.252 1 1 1181 . 19 1 1 A 97 97 ASN CA C 97 52.900 52.482 0.418 1 1 1182 . 19 1 1 A 97 97 ASN CB C 97 38.100 38.046 0.054 1 1 1183 . 19 1 1 A 97 97 ASN N N 97 119.460 118.861 0.599 1 1 1185 . 19 1 1 A 98 98 GLY H H 98 10.660 9.479 1.181 1 1 1186 . 19 1 1 A 98 98 GLY HA2 H 98 3.330 3.939 -0.609 1 1 1187 . 19 1 1 A 98 98 GLY HA3 H 98 3.960 3.962 -0.002 1 1 1188 . 19 1 1 A 98 98 GLY C C 98 178.360 172.982 5.378 1 1 1189 . 19 1 1 A 98 98 GLY CA C 98 45.800 45.533 0.267 1 1 1190 . 19 1 1 A 98 98 GLY N N 98 112.700 111.448 1.252 1 1 1191 . 19 1 1 A 99 99 TYR H H 99 7.570 8.901 -1.331 1 1 1192 . 19 1 1 A 99 99 TYR HA H 99 4.850 5.354 -0.504 1 1 1199 . 19 1 1 A 99 99 TYR C C 99 176.090 175.034 1.056 1 1 1200 . 19 1 1 A 99 99 TYR CA C 99 56.250 55.955 0.295 1 1 1201 . 19 1 1 A 99 99 TYR CB C 99 42.700 43.195 -0.495 1 1 1206 . 19 1 1 A 99 99 TYR N N 99 115.850 117.345 -1.495 1 1 1207 . 19 1 1 A 100 100 ILE H H 100 10.120 9.184 0.936 1 1 1208 . 19 1 1 A 100 100 ILE HA H 100 4.600 4.786 -0.186 1 1 1218 . 19 1 1 A 100 100 ILE C C 100 172.730 175.644 -2.914 1 1 1219 . 19 1 1 A 100 100 ILE CA C 100 61.500 60.537 0.963 1 1 1220 . 19 1 1 A 100 100 ILE CB C 100 39.300 38.984 0.316 1 1 1224 . 19 1 1 A 100 100 ILE N N 100 127.260 124.990 2.270 1 1 1225 . 19 1 1 A 101 101 SER H H 101 9.010 9.043 -0.033 1 1 1226 . 19 1 1 A 101 101 SER HA H 101 4.820 4.598 0.222 1 1 1229 . 19 1 1 A 101 101 SER C C 101 174.660 175.760 -1.100 1 1 1230 . 19 1 1 A 101 101 SER CA C 101 55.900 58.226 -2.326 1 1 1231 . 19 1 1 A 101 101 SER CB C 101 67.000 64.190 2.810 1 1 1232 . 19 1 1 A 101 101 SER N N 101 123.850 123.910 -0.060 1 1 1233 . 19 1 1 A 102 102 ALA H H 102 9.240 9.051 0.189 1 1 1234 . 19 1 1 A 102 102 ALA HA H 102 3.830 4.049 -0.219 1 1 1238 . 19 1 1 A 102 102 ALA C C 102 175.840 179.829 -3.989 1 1 1239 . 19 1 1 A 102 102 ALA CA C 102 56.170 55.845 0.325 1 1 1240 . 19 1 1 A 102 102 ALA CB C 102 18.200 17.926 0.274 1 1 1241 . 19 1 1 A 102 102 ALA N N 102 122.650 126.805 -4.155 1 1 1242 . 19 1 1 A 103 103 ALA H H 103 8.180 8.194 -0.014 1 1 1243 . 19 1 1 A 103 103 ALA HA H 103 3.980 3.975 0.005 1 1 1247 . 19 1 1 A 103 103 ALA C C 103 175.260 180.287 -5.027 1 1 1248 . 19 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 19 1 1 A 103 103 ALA CB C 103 18.500 18.773 -0.273 1 1 1250 . 19 1 1 A 103 103 ALA N N 103 118.250 119.600 -1.350 1 1 1251 . 19 1 1 A 104 104 GLU H H 104 7.860 7.907 -0.047 1 1 1252 . 19 1 1 A 104 104 GLU HA H 104 3.890 3.916 -0.026 1 1 1257 . 19 1 1 A 104 104 GLU C C 104 179.350 179.074 0.276 1 1 1258 . 19 1 1 A 104 104 GLU CA C 104 59.800 59.514 0.286 1 1 1259 . 19 1 1 A 104 104 GLU CB C 104 29.500 29.590 -0.090 1 1 1261 . 19 1 1 A 104 104 GLU N N 104 120.200 118.055 2.145 1 1 1262 . 19 1 1 A 105 105 LEU H H 105 8.500 8.026 0.474 1 1 1263 . 19 1 1 A 105 105 LEU HA H 105 3.960 3.890 0.070 1 1 1273 . 19 1 1 A 105 105 LEU C C 105 179.190 178.474 0.716 1 1 1274 . 19 1 1 A 105 105 LEU CA C 105 58.400 57.823 0.577 1 1 1275 . 19 1 1 A 105 105 LEU CB C 105 42.600 41.524 1.076 1 1 1279 . 19 1 1 A 105 105 LEU N N 105 120.100 121.149 -1.049 1 1 1280 . 19 1 1 A 106 106 ARG H H 106 8.490 8.314 0.176 1 1 1281 . 19 1 1 A 106 106 ARG HA H 106 3.550 3.938 -0.388 1 1 1288 . 19 1 1 A 106 106 ARG C C 106 175.240 178.537 -3.297 1 1 1289 . 19 1 1 A 106 106 ARG CA C 106 60.300 59.214 1.086 1 1 1290 . 19 1 1 A 106 106 ARG CB C 106 30.400 29.858 0.542 1 1 1293 . 19 1 1 A 106 106 ARG N N 106 117.300 119.966 -2.666 1 1 1294 . 19 1 1 A 107 107 HIS H H 107 7.870 7.947 -0.077 1 1 1295 . 19 1 1 A 107 107 HIS HA H 107 4.120 4.134 -0.014 1 1 1300 . 19 1 1 A 107 107 HIS C C 107 176.690 177.192 -0.502 1 1 1301 . 19 1 1 A 107 107 HIS CA C 107 60.300 58.878 1.422 1 1 1302 . 19 1 1 A 107 107 HIS CB C 107 31.100 29.668 1.432 1 1 1304 . 19 1 1 A 107 107 HIS N N 107 120.000 119.694 0.306 1 1 1306 . 19 1 1 A 108 108 VAL H H 108 8.190 8.892 -0.702 1 1 1307 . 19 1 1 A 108 108 VAL HA H 108 3.400 3.317 0.083 1 1 1315 . 19 1 1 A 108 108 VAL C C 108 178.430 177.788 0.642 1 1 1316 . 19 1 1 A 108 108 VAL CA C 108 66.500 66.388 0.112 1 1 1317 . 19 1 1 A 108 108 VAL CB C 108 31.800 31.103 0.697 1 1 1320 . 19 1 1 A 108 108 VAL N N 108 118.980 119.476 -0.496 1 1 1321 . 19 1 1 A 109 109 MET H H 109 8.180 7.813 0.367 1 1 1322 . 19 1 1 A 109 109 MET HA H 109 4.220 4.044 0.176 1 1 1330 . 19 1 1 A 109 109 MET C C 109 179.690 178.055 1.635 1 1 1331 . 19 1 1 A 109 109 MET CA C 109 57.300 58.827 -1.527 1 1 1332 . 19 1 1 A 109 109 MET CB C 109 29.700 32.324 -2.624 1 1 1335 . 19 1 1 A 109 109 MET N N 109 114.980 117.500 -2.520 1 1 1336 . 19 1 1 A 110 110 THR H H 110 8.220 8.142 0.078 1 1 1337 . 19 1 1 A 110 110 THR HA H 110 4.000 3.953 0.047 1 1 1342 . 19 1 1 A 110 110 THR C C 110 176.410 176.556 -0.146 1 1 1343 . 19 1 1 A 110 110 THR CA C 110 67.100 65.865 1.235 1 1 1344 . 19 1 1 A 110 110 THR CB C 110 68.500 68.165 0.335 1 1 1346 . 19 1 1 A 110 110 THR N N 110 116.970 112.348 4.622 1 1 1347 . 19 1 1 A 111 111 ASN H H 111 7.780 7.534 0.246 1 1 1348 . 19 1 1 A 111 111 ASN HA H 111 4.320 4.386 -0.066 1 1 1353 . 19 1 1 A 111 111 ASN CA C 111 55.800 56.411 -0.611 1 1 1354 . 19 1 1 A 111 111 ASN CB C 111 38.200 38.333 -0.133 1 1 1355 . 19 1 1 A 111 111 ASN N N 111 122.350 119.785 2.565 1 1 1357 . 19 1 1 A 112 112 LEU H H 112 7.480 7.430 0.050 1 1 1358 . 19 1 1 A 112 112 LEU HA H 112 4.210 4.311 -0.101 1 1 1368 . 19 1 1 A 112 112 LEU C C 112 178.710 177.638 1.072 1 1 1369 . 19 1 1 A 112 112 LEU CA C 112 55.100 54.529 0.571 1 1 1370 . 19 1 1 A 112 112 LEU CB C 112 42.500 42.260 0.240 1 1 1374 . 19 1 1 A 112 112 LEU N N 112 118.300 113.151 5.149 1 1 1375 . 19 1 1 A 113 113 GLY H H 113 7.740 7.722 0.018 1 1 1376 . 19 1 1 A 113 113 GLY HA2 H 113 3.580 3.919 -0.339 1 1 1377 . 19 1 1 A 113 113 GLY HA3 H 113 4.140 3.929 0.211 1 1 1378 . 19 1 1 A 113 113 GLY C C 113 176.830 174.752 2.078 1 1 1379 . 19 1 1 A 113 113 GLY CA C 113 45.370 46.407 -1.037 1 1 1380 . 19 1 1 A 113 113 GLY N N 113 106.500 109.053 -2.553 1 1 1381 . 19 1 1 A 114 114 GLU H H 114 7.780 8.247 -0.467 1 1 1382 . 19 1 1 A 114 114 GLU HA H 114 4.240 4.212 0.028 1 1 1387 . 19 1 1 A 114 114 GLU C C 114 176.790 176.047 0.743 1 1 1388 . 19 1 1 A 114 114 GLU CA C 114 54.800 57.934 -3.134 1 1 1389 . 19 1 1 A 114 114 GLU CB C 114 29.900 30.236 -0.336 1 1 1391 . 19 1 1 A 114 114 GLU N N 114 119.300 121.284 -1.984 1 1 1392 . 19 1 1 A 115 115 LYS H H 115 8.540 7.833 0.707 1 1 1393 . 19 1 1 A 115 115 LYS HA H 115 4.270 3.778 0.492 1 1 1402 . 19 1 1 A 115 115 LYS C C 115 174.300 175.675 -1.375 1 1 1403 . 19 1 1 A 115 115 LYS CA C 115 55.500 57.075 -1.575 1 1 1404 . 19 1 1 A 115 115 LYS CB C 115 31.900 30.404 1.496 1 1 1408 . 19 1 1 A 115 115 LYS N N 115 125.000 118.318 6.682 1 1 1409 . 19 1 1 A 116 116 LEU H H 116 8.000 7.945 0.055 1 1 1410 . 19 1 1 A 116 116 LEU HA H 116 4.630 4.339 0.291 1 1 1420 . 19 1 1 A 116 116 LEU C C 116 175.060 177.891 -2.831 1 1 1421 . 19 1 1 A 116 116 LEU CA C 116 54.100 54.729 -0.629 1 1 1422 . 19 1 1 A 116 116 LEU CB C 116 44.100 42.671 1.429 1 1 1426 . 19 1 1 A 116 116 LEU N N 116 123.620 120.483 3.137 1 1 1427 . 19 1 1 A 117 117 THR H H 117 9.140 8.746 0.394 1 1 1428 . 19 1 1 A 117 117 THR HA H 117 4.340 4.636 -0.296 1 1 1433 . 19 1 1 A 117 117 THR C C 117 175.610 175.275 0.335 1 1 1434 . 19 1 1 A 117 117 THR CA C 117 60.500 60.592 -0.092 1 1 1435 . 19 1 1 A 117 117 THR CB C 117 71.100 71.426 -0.326 1 1 1437 . 19 1 1 A 117 117 THR N N 117 114.240 115.003 -0.763 1 1 1438 . 19 1 1 A 118 118 ASP H H 118 8.820 8.917 -0.097 1 1 1439 . 19 1 1 A 118 118 ASP HA H 118 4.100 4.224 -0.124 1 1 1442 . 19 1 1 A 118 118 ASP C C 118 178.610 177.908 0.702 1 1 1443 . 19 1 1 A 118 118 ASP CA C 118 58.000 58.099 -0.099 1 1 1444 . 19 1 1 A 118 118 ASP CB C 118 39.700 41.159 -1.459 1 1 1445 . 19 1 1 A 118 118 ASP N N 118 120.660 121.826 -1.166 1 1 1446 . 19 1 1 A 119 119 GLU H H 119 8.450 8.224 0.226 1 1 1447 . 19 1 1 A 119 119 GLU HA H 119 3.960 3.992 -0.032 1 1 1452 . 19 1 1 A 119 119 GLU C C 119 175.620 179.327 -3.707 1 1 1453 . 19 1 1 A 119 119 GLU CA C 119 59.800 59.736 0.064 1 1 1454 . 19 1 1 A 119 119 GLU CB C 119 29.400 29.197 0.203 1 1 1456 . 19 1 1 A 119 119 GLU N N 119 118.790 118.678 0.112 1 1 1457 . 19 1 1 A 120 120 GLU H H 120 7.570 7.641 -0.071 1 1 1458 . 19 1 1 A 120 120 GLU HA H 120 3.950 4.146 -0.196 1 1 1463 . 19 1 1 A 120 120 GLU C C 120 178.630 179.129 -0.499 1 1 1464 . 19 1 1 A 120 120 GLU CA C 120 59.600 58.622 0.978 1 1 1465 . 19 1 1 A 120 120 GLU CB C 120 29.400 29.210 0.190 1 1 1467 . 19 1 1 A 120 120 GLU N N 120 120.120 119.398 0.722 1 1 1468 . 19 1 1 A 121 121 VAL H H 121 7.750 8.085 -0.335 1 1 1469 . 19 1 1 A 121 121 VAL HA H 121 3.240 3.572 -0.332 1 1 1477 . 19 1 1 A 121 121 VAL C C 121 179.110 177.809 1.301 1 1 1478 . 19 1 1 A 121 121 VAL CA C 121 67.300 66.294 1.006 1 1 1479 . 19 1 1 A 121 121 VAL CB C 121 31.550 31.588 -0.038 1 1 1482 . 19 1 1 A 121 121 VAL N N 121 119.400 121.362 -1.962 1 1 1483 . 19 1 1 A 122 122 ASP H H 122 7.840 8.072 -0.232 1 1 1484 . 19 1 1 A 122 122 ASP HA H 122 4.260 4.318 -0.058 1 1 1487 . 19 1 1 A 122 122 ASP C C 122 178.890 178.459 0.431 1 1 1488 . 19 1 1 A 122 122 ASP CA C 122 57.700 57.747 -0.047 1 1 1489 . 19 1 1 A 122 122 ASP CB C 122 40.200 41.092 -0.892 1 1 1490 . 19 1 1 A 122 122 ASP N N 122 118.550 120.354 -1.804 1 1 1491 . 19 1 1 A 123 123 GLU H H 123 8.110 7.905 0.205 1 1 1492 . 19 1 1 A 123 123 GLU HA H 123 3.880 4.084 -0.204 1 1 1497 . 19 1 1 A 123 123 GLU C C 123 177.710 179.297 -1.587 1 1 1498 . 19 1 1 A 123 123 GLU CA C 123 59.600 59.294 0.306 1 1 1499 . 19 1 1 A 123 123 GLU CB C 123 29.400 29.393 0.007 1 1 1501 . 19 1 1 A 123 123 GLU N N 123 119.670 118.981 0.689 1 1 1502 . 19 1 1 A 124 124 MET H H 124 8.000 8.078 -0.078 1 1 1503 . 19 1 1 A 124 124 MET HA H 124 3.700 4.210 -0.510 1 1 1511 . 19 1 1 A 124 124 MET C C 124 179.020 178.910 0.110 1 1 1512 . 19 1 1 A 124 124 MET CA C 124 60.700 59.061 1.639 1 1 1513 . 19 1 1 A 124 124 MET CB C 124 33.200 32.924 0.276 1 1 1516 . 19 1 1 A 124 124 MET N N 124 118.100 119.314 -1.214 1 1 1517 . 19 1 1 A 125 125 ILE H H 125 8.220 7.857 0.363 1 1 1518 . 19 1 1 A 125 125 ILE HA H 125 3.610 3.628 -0.018 1 1 1528 . 19 1 1 A 125 125 ILE C C 125 179.410 177.813 1.597 1 1 1529 . 19 1 1 A 125 125 ILE CA C 125 64.200 64.933 -0.733 1 1 1530 . 19 1 1 A 125 125 ILE CB C 125 36.000 37.793 -1.793 1 1 1534 . 19 1 1 A 125 125 ILE N N 125 121.400 119.561 1.839 1 1 1535 . 19 1 1 A 126 126 ARG H H 126 8.510 8.108 0.402 1 1 1536 . 19 1 1 A 126 126 ARG HA H 126 3.930 3.912 0.018 1 1 1543 . 19 1 1 A 126 126 ARG C C 126 178.070 179.038 -0.968 1 1 1544 . 19 1 1 A 126 126 ARG CA C 126 59.500 59.963 -0.463 1 1 1545 . 19 1 1 A 126 126 ARG CB C 126 30.300 29.827 0.473 1 1 1548 . 19 1 1 A 126 126 ARG N N 126 117.650 119.979 -2.329 1 1 1549 . 19 1 1 A 127 127 GLU H H 127 7.820 8.233 -0.413 1 1 1550 . 19 1 1 A 127 127 GLU HA H 127 3.880 4.032 -0.152 1 1 1555 . 19 1 1 A 127 127 GLU C C 127 180.080 178.256 1.824 1 1 1556 . 19 1 1 A 127 127 GLU CA C 127 58.300 59.318 -1.018 1 1 1557 . 19 1 1 A 127 127 GLU CB C 127 29.800 29.294 0.506 1 1 1559 . 19 1 1 A 127 127 GLU N N 127 115.300 119.879 -4.579 1 1 1560 . 19 1 1 A 128 128 ALA H H 128 6.960 7.235 -0.275 1 1 1561 . 19 1 1 A 128 128 ALA HA H 128 4.340 4.359 -0.019 1 1 1565 . 19 1 1 A 128 128 ALA C C 128 181.640 177.181 4.459 1 1 1566 . 19 1 1 A 128 128 ALA CA C 128 51.700 52.244 -0.544 1 1 1567 . 19 1 1 A 128 128 ALA CB C 128 22.400 20.156 2.244 1 1 1568 . 19 1 1 A 128 128 ALA N N 128 115.890 121.139 -5.249 1 1 1569 . 19 1 1 A 129 129 ASP H H 129 8.210 7.783 0.427 1 1 1570 . 19 1 1 A 129 129 ASP HA H 129 4.360 4.583 -0.223 1 1 1573 . 19 1 1 A 129 129 ASP C C 129 176.420 177.031 -0.611 1 1 1574 . 19 1 1 A 129 129 ASP CA C 129 54.300 53.880 0.420 1 1 1575 . 19 1 1 A 129 129 ASP CB C 129 40.400 40.160 0.240 1 1 1576 . 19 1 1 A 129 129 ASP N N 129 117.100 118.674 -1.574 1 1 1577 . 19 1 1 A 130 130 ILE H H 130 8.250 8.183 0.067 1 1 1578 . 19 1 1 A 130 130 ILE HA H 130 3.800 4.049 -0.249 1 1 1588 . 19 1 1 A 130 130 ILE C C 130 177.960 175.228 2.732 1 1 1589 . 19 1 1 A 130 130 ILE CA C 130 63.500 62.765 0.735 1 1 1590 . 19 1 1 A 130 130 ILE CB C 130 38.500 38.027 0.473 1 1 1594 . 19 1 1 A 130 130 ILE N N 130 127.900 122.333 5.567 1 1 1595 . 19 1 1 A 131 131 ASP H H 131 8.220 7.621 0.599 1 1 1596 . 19 1 1 A 131 131 ASP HA H 131 4.400 4.966 -0.566 1 1 1599 . 19 1 1 A 131 131 ASP C C 131 175.850 175.948 -0.098 1 1 1600 . 19 1 1 A 131 131 ASP CA C 131 53.800 52.569 1.231 1 1 1601 . 19 1 1 A 131 131 ASP CB C 131 39.900 44.270 -4.370 1 1 1602 . 19 1 1 A 131 131 ASP N N 131 116.250 119.587 -3.337 1 1 1603 . 19 1 1 A 132 132 GLY H H 132 7.520 9.040 -1.520 1 1 1604 . 19 1 1 A 132 132 GLY HA2 H 132 3.700 3.914 -0.214 1 1 1605 . 19 1 1 A 132 132 GLY HA3 H 132 3.900 3.919 -0.019 1 1 1606 . 19 1 1 A 132 132 GLY C C 132 177.820 175.099 2.721 1 1 1607 . 19 1 1 A 132 132 GLY CA C 132 47.400 47.175 0.225 1 1 1608 . 19 1 1 A 132 132 GLY N N 132 108.170 107.933 0.237 1 1 1609 . 19 1 1 A 133 133 ASP H H 133 8.240 8.224 0.016 1 1 1610 . 19 1 1 A 133 133 ASP HA H 133 4.360 4.563 -0.203 1 1 1613 . 19 1 1 A 133 133 ASP C C 133 178.290 177.500 0.790 1 1 1614 . 19 1 1 A 133 133 ASP CA C 133 53.800 53.497 0.303 1 1 1615 . 19 1 1 A 133 133 ASP CB C 133 40.300 40.321 -0.021 1 1 1616 . 19 1 1 A 133 133 ASP N N 133 120.370 120.086 0.284 1 1 1617 . 19 1 1 A 134 134 GLY H H 134 10.140 9.542 0.598 1 1 1618 . 19 1 1 A 134 134 GLY HA2 H 134 3.300 3.839 -0.539 1 1 1619 . 19 1 1 A 134 134 GLY HA3 H 134 3.930 3.848 0.082 1 1 1620 . 19 1 1 A 134 134 GLY C C 134 175.350 173.245 2.105 1 1 1621 . 19 1 1 A 134 134 GLY CA C 134 45.900 45.641 0.259 1 1 1622 . 19 1 1 A 134 134 GLY N N 134 112.150 111.358 0.792 1 1 1623 . 19 1 1 A 135 135 GLN H H 135 7.910 8.169 -0.259 1 1 1624 . 19 1 1 A 135 135 GLN HA H 135 4.870 5.006 -0.136 1 1 1631 . 19 1 1 A 135 135 GLN C C 135 177.620 174.557 3.063 1 1 1632 . 19 1 1 A 135 135 GLN CA C 135 53.300 53.677 -0.377 1 1 1633 . 19 1 1 A 135 135 GLN CB C 135 33.000 32.650 0.350 1 1 1635 . 19 1 1 A 135 135 GLN N N 135 114.700 118.525 -3.825 1 1 1637 . 19 1 1 A 136 136 VAL H H 136 9.070 8.864 0.206 1 1 1638 . 19 1 1 A 136 136 VAL HA H 136 5.110 5.246 -0.136 1 1 1646 . 19 1 1 A 136 136 VAL C C 136 172.750 175.789 -3.039 1 1 1647 . 19 1 1 A 136 136 VAL CA C 136 61.800 61.690 0.110 1 1 1648 . 19 1 1 A 136 136 VAL CB C 136 34.100 33.098 1.002 1 1 1651 . 19 1 1 A 136 136 VAL N N 136 124.900 122.430 2.470 1 1 1652 . 19 1 1 A 137 137 ASN H H 137 9.450 9.051 0.399 1 1 1653 . 19 1 1 A 137 137 ASN HA H 137 5.240 5.034 0.206 1 1 1658 . 19 1 1 A 137 137 ASN CA C 137 51.400 52.697 -1.297 1 1 1659 . 19 1 1 A 137 137 ASN CB C 137 40.000 39.471 0.529 1 1 1660 . 19 1 1 A 137 137 ASN N N 137 128.840 126.017 2.823 1 1 1662 . 19 1 1 A 138 138 TYR H H 138 8.330 8.829 -0.499 1 1 1663 . 19 1 1 A 138 138 TYR HA H 138 3.240 4.308 -1.068 1 1 1670 . 19 1 1 A 138 138 TYR C C 138 180.030 177.490 2.540 1 1 1671 . 19 1 1 A 138 138 TYR CA C 138 62.400 62.298 0.102 1 1 1672 . 19 1 1 A 138 138 TYR CB C 138 38.000 38.468 -0.468 1 1 1677 . 19 1 1 A 138 138 TYR N N 138 118.150 123.578 -5.428 1 1 1678 . 19 1 1 A 139 139 GLU H H 139 7.990 8.484 -0.494 1 1 1679 . 19 1 1 A 139 139 GLU HA H 139 3.520 3.930 -0.410 1 1 1684 . 19 1 1 A 139 139 GLU C C 139 179.170 178.919 0.251 1 1 1685 . 19 1 1 A 139 139 GLU CA C 139 60.550 60.195 0.355 1 1 1686 . 19 1 1 A 139 139 GLU CB C 139 29.100 29.746 -0.646 1 1 1688 . 19 1 1 A 139 139 GLU N N 139 118.100 119.338 -1.238 1 1 1689 . 19 1 1 A 140 140 GLU H H 140 8.640 8.139 0.501 1 1 1690 . 19 1 1 A 140 140 GLU HA H 140 3.780 4.083 -0.303 1 1 1695 . 19 1 1 A 140 140 GLU C C 140 181.440 178.996 2.444 1 1 1696 . 19 1 1 A 140 140 GLU CA C 140 58.800 59.052 -0.252 1 1 1697 . 19 1 1 A 140 140 GLU CB C 140 29.200 29.660 -0.460 1 1 1699 . 19 1 1 A 140 140 GLU N N 140 119.300 119.453 -0.153 1 1 1700 . 19 1 1 A 141 141 PHE H H 141 8.470 8.039 0.431 1 1 1701 . 19 1 1 A 141 141 PHE HA H 141 3.380 3.913 -0.533 1 1 1709 . 19 1 1 A 141 141 PHE C C 141 178.980 176.763 2.217 1 1 1710 . 19 1 1 A 141 141 PHE CA C 141 61.900 61.338 0.562 1 1 1711 . 19 1 1 A 141 141 PHE CB C 141 40.200 39.265 0.935 1 1 1717 . 19 1 1 A 141 141 PHE N N 141 123.640 121.710 1.930 1 1 1718 . 19 1 1 A 142 142 VAL H H 142 8.510 8.062 0.448 1 1 1719 . 19 1 1 A 142 142 VAL HA H 142 3.000 3.309 -0.309 1 1 1727 . 19 1 1 A 142 142 VAL C C 142 176.540 177.610 -1.070 1 1 1728 . 19 1 1 A 142 142 VAL CA C 142 66.900 66.366 0.534 1 1 1729 . 19 1 1 A 142 142 VAL CB C 142 31.450 31.313 0.137 1 1 1732 . 19 1 1 A 142 142 VAL N N 142 118.330 118.925 -0.595 1 1 1733 . 19 1 1 A 143 143 GLN H H 143 7.520 8.120 -0.600 1 1 1734 . 19 1 1 A 143 143 GLN HA H 143 3.750 3.922 -0.172 1 1 1741 . 19 1 1 A 143 143 GLN C C 143 176.630 178.234 -1.604 1 1 1742 . 19 1 1 A 143 143 GLN CA C 143 58.900 59.267 -0.367 1 1 1743 . 19 1 1 A 143 143 GLN CB C 143 28.200 28.260 -0.060 1 1 1745 . 19 1 1 A 143 143 GLN N N 143 118.100 119.374 -1.274 1 1 1747 . 19 1 1 A 144 144 MET H H 144 7.250 7.914 -0.664 1 1 1748 . 19 1 1 A 144 144 MET HA H 144 4.090 4.208 -0.118 1 1 1756 . 19 1 1 A 144 144 MET C C 144 179.340 178.783 0.557 1 1 1757 . 19 1 1 A 144 144 MET CA C 144 56.750 57.323 -0.573 1 1 1758 . 19 1 1 A 144 144 MET CB C 144 30.800 31.887 -1.087 1 1 1761 . 19 1 1 A 144 144 MET N N 144 117.300 117.838 -0.538 1 1 1762 . 19 1 1 A 145 145 MET H H 145 7.460 7.776 -0.316 1 1 1763 . 19 1 1 A 145 145 MET HA H 145 3.900 4.030 -0.130 1 1 1771 . 19 1 1 A 145 145 MET C C 145 178.110 178.493 -0.383 1 1 1772 . 19 1 1 A 145 145 MET CA C 145 56.800 57.811 -1.011 1 1 1773 . 19 1 1 A 145 145 MET CB C 145 31.800 33.618 -1.818 1 1 1776 . 19 1 1 A 145 145 MET N N 145 114.350 118.711 -4.361 1 1 1777 . 19 1 1 A 146 146 THR H H 146 7.560 7.982 -0.422 1 1 1778 . 19 1 1 A 146 146 THR HA H 146 4.220 4.226 -0.006 1 1 1783 . 19 1 1 A 146 146 THR C C 146 177.440 175.076 2.364 1 1 1784 . 19 1 1 A 146 146 THR CA C 146 62.650 64.503 -1.853 1 1 1785 . 19 1 1 A 146 146 THR CB C 146 69.700 69.093 0.607 1 1 1787 . 19 1 1 A 146 146 THR N N 146 109.350 112.778 -3.428 1 1 1788 . 19 1 1 A 147 147 ALA H H 147 7.420 7.718 -0.298 1 1 1789 . 19 1 1 A 147 147 ALA HA H 147 4.170 4.065 0.105 1 1 1793 . 19 1 1 A 147 147 ALA C C 147 177.480 177.328 0.152 1 1 1794 . 19 1 1 A 147 147 ALA CA C 147 52.900 53.138 -0.238 1 1 1795 . 19 1 1 A 147 147 ALA CB C 147 19.200 18.926 0.274 1 1 1796 . 19 1 1 A 147 147 ALA N N 147 125.650 123.255 2.395 1 1 1814 . 19 2 2 B 1 1 ARG H H 1088 8.270 7.966 0.304 1 1 1815 . 19 2 2 B 1 1 ARG HA H 1088 3.860 4.009 -0.149 1 1 1822 . 19 2 2 B 1 1 ARG CA C 1088 59.900 57.066 2.834 1 1 1823 . 19 2 2 B 1 1 ARG CB C 1088 29.900 28.936 0.964 1 1 1826 . 19 2 2 B 1 1 ARG N N 1088 117.300 118.430 -1.130 1 1 1827 . 19 2 2 B 2 2 GLY H H 1089 9.370 7.894 1.476 1 1 1828 . 19 2 2 B 2 2 GLY HA2 H 1089 3.520 3.969 -0.449 1 1 1829 . 19 2 2 B 2 2 GLY HA3 H 1089 3.730 3.979 -0.249 1 1 1830 . 19 2 2 B 2 2 GLY C C 1089 176.650 175.678 0.972 1 1 1831 . 19 2 2 B 2 2 GLY CA C 1089 47.200 46.469 0.731 1 1 1832 . 19 2 2 B 2 2 GLY N N 1089 105.000 108.830 -3.830 1 1 1833 . 19 2 2 B 3 3 GLN H H 1090 6.980 7.947 -0.967 1 1 1834 . 19 2 2 B 3 3 GLN HA H 1090 3.830 4.297 -0.467 1 1 1841 . 19 2 2 B 3 3 GLN C C 1090 177.680 178.664 -0.984 1 1 1842 . 19 2 2 B 3 3 GLN CA C 1090 59.100 58.754 0.346 1 1 1843 . 19 2 2 B 3 3 GLN CB C 1090 29.800 28.436 1.364 1 1 1845 . 19 2 2 B 3 3 GLN N N 1090 117.350 119.780 -2.430 1 1 1847 . 19 2 2 B 4 4 ILE H H 1091 7.760 7.673 0.087 1 1 1848 . 19 2 2 B 4 4 ILE HA H 1091 3.480 3.737 -0.257 1 1 1858 . 19 2 2 B 4 4 ILE C C 1091 175.070 178.242 -3.172 1 1 1859 . 19 2 2 B 4 4 ILE CA C 1091 65.600 65.543 0.057 1 1 1860 . 19 2 2 B 4 4 ILE CB C 1091 38.000 37.895 0.105 1 1 1864 . 19 2 2 B 4 4 ILE N N 1091 119.650 120.835 -1.185 1 1 1865 . 19 2 2 B 5 5 LEU H H 1092 7.830 8.340 -0.510 1 1 1866 . 19 2 2 B 5 5 LEU HA H 1092 3.820 3.915 -0.095 1 1 1876 . 19 2 2 B 5 5 LEU C C 1092 176.220 179.045 -2.825 1 1 1877 . 19 2 2 B 5 5 LEU CA C 1092 58.250 58.291 -0.041 1 1 1878 . 19 2 2 B 5 5 LEU CB C 1092 41.700 41.570 0.130 1 1 1882 . 19 2 2 B 5 5 LEU N N 1092 119.200 119.001 0.199 1 1 1883 . 19 2 2 B 6 6 TRP H H 1093 7.650 8.019 -0.369 1 1 1884 . 19 2 2 B 6 6 TRP HA H 1093 4.120 4.308 -0.188 1 1 1893 . 19 2 2 B 6 6 TRP C C 1093 178.490 178.956 -0.466 1 1 1894 . 19 2 2 B 6 6 TRP CA C 1093 61.100 60.316 0.784 1 1 1895 . 19 2 2 B 6 6 TRP CB C 1093 30.000 29.246 0.754 1 1 1901 . 19 2 2 B 6 6 TRP N N 1093 119.200 119.156 0.044 1 1 1903 . 19 2 2 B 7 7 PHE H H 1094 8.400 8.828 -0.428 1 1 1904 . 19 2 2 B 7 7 PHE HA H 1094 4.390 4.199 0.191 1 1 1912 . 19 2 2 B 7 7 PHE C C 1094 178.840 178.032 0.808 1 1 1913 . 19 2 2 B 7 7 PHE CA C 1094 59.700 62.371 -2.671 1 1 1914 . 19 2 2 B 7 7 PHE CB C 1094 37.000 38.891 -1.891 1 1 1919 . 19 2 2 B 7 7 PHE N N 1094 117.800 117.978 -0.178 1 1 1920 . 19 2 2 B 8 8 ARG H H 1095 8.360 8.258 0.102 1 1 1921 . 19 2 2 B 8 8 ARG HA H 1095 4.140 4.088 0.052 1 1 1928 . 19 2 2 B 8 8 ARG C C 1095 178.290 179.101 -0.811 1 1 1929 . 19 2 2 B 8 8 ARG CA C 1095 59.600 59.766 -0.166 1 1 1930 . 19 2 2 B 8 8 ARG CB C 1095 30.500 30.172 0.328 1 1 1933 . 19 2 2 B 8 8 ARG N N 1095 120.800 119.847 0.953 1 1 1934 . 19 2 2 B 9 9 GLY H H 1096 8.330 8.284 0.046 1 1 1935 . 19 2 2 B 9 9 GLY HA2 H 1096 3.560 3.638 -0.078 1 1 1936 . 19 2 2 B 9 9 GLY HA3 H 1096 3.720 3.668 0.052 1 1 1937 . 19 2 2 B 9 9 GLY C C 1096 178.010 175.597 2.413 1 1 1938 . 19 2 2 B 9 9 GLY CA C 1096 47.200 47.341 -0.141 1 1 1939 . 19 2 2 B 9 9 GLY N N 1096 106.400 107.231 -0.831 1 1 1940 . 19 2 2 B 10 10 LEU H H 1097 9.090 8.050 1.040 1 1 1941 . 19 2 2 B 10 10 LEU HA H 1097 4.150 4.020 0.130 1 1 1951 . 19 2 2 B 10 10 LEU C C 1097 178.820 178.509 0.311 1 1 1952 . 19 2 2 B 10 10 LEU CA C 1097 58.500 57.306 1.194 1 1 1953 . 19 2 2 B 10 10 LEU CB C 1097 41.600 41.200 0.400 1 1 1957 . 19 2 2 B 10 10 LEU N N 1097 120.900 122.717 -1.817 1 1 1958 . 19 2 2 B 11 11 ASN H H 1098 8.380 8.407 -0.027 1 1 1959 . 19 2 2 B 11 11 ASN HA H 1098 4.440 4.491 -0.051 1 1 1964 . 19 2 2 B 11 11 ASN CA C 1098 56.700 56.535 0.165 1 1 1965 . 19 2 2 B 11 11 ASN CB C 1098 38.700 38.020 0.680 1 1 1966 . 19 2 2 B 11 11 ASN N N 1098 116.900 116.212 0.688 1 1 1968 . 19 2 2 B 12 12 ARG H H 1099 7.900 7.723 0.177 1 1 1969 . 19 2 2 B 12 12 ARG HA H 1099 3.980 4.101 -0.121 1 1 1976 . 19 2 2 B 12 12 ARG C C 1099 178.360 178.337 0.023 1 1 1977 . 19 2 2 B 12 12 ARG CA C 1099 60.200 59.135 1.065 1 1 1978 . 19 2 2 B 12 12 ARG CB C 1099 32.600 30.027 2.573 1 1 1981 . 19 2 2 B 12 12 ARG N N 1099 120.100 118.936 1.164 1 1 1982 . 19 2 2 B 13 13 ILE H H 1100 8.230 8.167 0.063 1 1 1983 . 19 2 2 B 13 13 ILE HA H 1100 3.840 3.651 0.189 1 1 1993 . 19 2 2 B 13 13 ILE C C 1100 178.110 177.940 0.170 1 1 1994 . 19 2 2 B 13 13 ILE CA C 1100 63.800 65.449 -1.649 1 1 1995 . 19 2 2 B 13 13 ILE CB C 1100 37.300 37.486 -0.186 1 1 1999 . 19 2 2 B 13 13 ILE N N 1100 120.350 120.841 -0.491 1 1 2000 . 19 2 2 B 14 14 GLN H H 1101 8.830 7.807 1.023 1 1 2001 . 19 2 2 B 14 14 GLN HA H 1101 3.990 3.970 0.020 1 1 2008 . 19 2 2 B 14 14 GLN C C 1101 177.860 178.817 -0.957 1 1 2009 . 19 2 2 B 14 14 GLN CA C 1101 60.000 59.145 0.855 1 1 2010 . 19 2 2 B 14 14 GLN CB C 1101 28.800 28.343 0.457 1 1 2012 . 19 2 2 B 14 14 GLN N N 1101 118.700 118.017 0.683 1 1 2014 . 19 2 2 B 15 15 THR H H 1102 8.140 7.673 0.467 1 1 2015 . 19 2 2 B 15 15 THR HA H 1102 3.890 3.774 0.116 1 1 2020 . 19 2 2 B 15 15 THR C C 1102 177.470 176.572 0.898 1 1 2021 . 19 2 2 B 15 15 THR CA C 1102 67.400 67.579 -0.179 1 1 2022 . 19 2 2 B 15 15 THR CB C 1102 70.300 68.515 1.785 1 1 2024 . 19 2 2 B 15 15 THR N N 1102 117.500 117.646 -0.146 1 1 2025 . 19 2 2 B 16 16 GLN H H 1103 8.320 8.353 -0.033 1 1 2026 . 19 2 2 B 16 16 GLN HA H 1103 4.100 3.946 0.154 1 1 2033 . 19 2 2 B 16 16 GLN C C 1103 178.890 178.523 0.367 1 1 2034 . 19 2 2 B 16 16 GLN CA C 1103 60.600 59.281 1.319 1 1 2035 . 19 2 2 B 16 16 GLN CB C 1103 30.500 28.456 2.044 1 1 2037 . 19 2 2 B 16 16 GLN N N 1103 120.650 119.154 1.496 1 1 2039 . 19 2 2 B 17 17 ILE H H 1104 8.690 7.358 1.332 1 1 2040 . 19 2 2 B 17 17 ILE HA H 1104 3.470 3.985 -0.515 1 1 2050 . 19 2 2 B 17 17 ILE C C 1104 175.230 177.931 -2.701 1 1 2051 . 19 2 2 B 17 17 ILE CA C 1104 66.150 62.221 3.929 1 1 2052 . 19 2 2 B 17 17 ILE CB C 1104 38.300 37.979 0.321 1 1 2056 . 19 2 2 B 17 17 ILE N N 1104 119.400 120.190 -0.790 1 1 2057 . 19 2 2 B 18 18 LYS H H 1105 7.950 9.106 -1.156 1 1 2058 . 19 2 2 B 18 18 LYS HA H 1105 3.900 3.981 -0.081 1 1 2067 . 19 2 2 B 18 18 LYS C C 1105 177.660 178.615 -0.955 1 1 2068 . 19 2 2 B 18 18 LYS CA C 1105 60.050 59.807 0.243 1 1 2069 . 19 2 2 B 18 18 LYS CB C 1105 32.700 32.178 0.522 1 1 2073 . 19 2 2 B 18 18 LYS N N 1105 120.280 123.497 -3.217 1 1 2074 . 19 2 2 B 19 19 VAL H H 1106 8.280 7.561 0.719 1 1 2075 . 19 2 2 B 19 19 VAL HA H 1106 3.430 3.805 -0.375 1 1 2083 . 19 2 2 B 19 19 VAL C C 1106 177.660 178.382 -0.722 1 1 2084 . 19 2 2 B 19 19 VAL CA C 1106 65.900 66.620 -0.720 1 1 2085 . 19 2 2 B 19 19 VAL CB C 1106 31.400 31.718 -0.318 1 1 2088 . 19 2 2 B 19 19 VAL N N 1106 120.660 119.492 1.168 1 1 2089 . 19 2 2 B 20 20 VAL H H 1107 8.420 8.050 0.370 1 1 2090 . 19 2 2 B 20 20 VAL HA H 1107 3.580 3.975 -0.395 1 1 2098 . 19 2 2 B 20 20 VAL C C 1107 178.930 178.395 0.535 1 1 2099 . 19 2 2 B 20 20 VAL CA C 1107 68.390 66.045 2.345 1 1 2100 . 19 2 2 B 20 20 VAL CB C 1107 31.200 31.501 -0.301 1 1 2103 . 19 2 2 B 20 20 VAL N N 1107 119.990 116.542 3.448 1 1 2104 . 19 2 2 B 21 21 LYS H H 1108 8.300 8.135 0.165 1 1 2105 . 19 2 2 B 21 21 LYS HA H 1108 4.050 4.111 -0.061 1 1 2114 . 19 2 2 B 21 21 LYS C C 1108 177.230 179.029 -1.799 1 1 2115 . 19 2 2 B 21 21 LYS CA C 1108 59.980 59.739 0.241 1 1 2116 . 19 2 2 B 21 21 LYS CB C 1108 32.400 32.138 0.262 1 1 2120 . 19 2 2 B 21 21 LYS N N 1108 119.290 122.147 -2.857 1 1 2121 . 19 2 2 B 22 22 ALA H H 1109 7.690 8.070 -0.380 1 1 2122 . 19 2 2 B 22 22 ALA HA H 1109 3.900 4.186 -0.286 1 1 2126 . 19 2 2 B 22 22 ALA C C 1109 178.200 179.694 -1.494 1 1 2127 . 19 2 2 B 22 22 ALA CA C 1109 54.950 55.087 -0.137 1 1 2128 . 19 2 2 B 22 22 ALA CB C 1109 22.000 18.616 3.384 1 1 2129 . 19 2 2 B 22 22 ALA N N 1109 123.910 122.226 1.684 1 1 2130 . 19 2 2 B 23 23 PHE H H 1110 7.920 8.343 -0.423 1 1 2131 . 19 2 2 B 23 23 PHE HA H 1110 4.120 4.269 -0.149 1 1 2139 . 19 2 2 B 23 23 PHE C C 1110 178.840 177.849 0.991 1 1 2140 . 19 2 2 B 23 23 PHE CA C 1110 61.260 60.666 0.594 1 1 2141 . 19 2 2 B 23 23 PHE CB C 1110 40.200 38.837 1.363 1 1 2147 . 19 2 2 B 23 23 PHE N N 1110 118.200 115.606 2.594 1 1 2148 . 19 2 2 B 24 24 HIS H H 1111 7.960 7.598 0.362 1 1 2149 . 19 2 2 B 24 24 HIS HA H 1111 4.530 4.682 -0.152 1 1 2155 . 19 2 2 B 24 24 HIS C C 1111 178.710 174.497 4.213 1 1 2156 . 19 2 2 B 24 24 HIS CA C 1111 57.200 56.071 1.129 1 1 2157 . 19 2 2 B 24 24 HIS CB C 1111 30.200 29.897 0.303 1 1 2160 . 19 2 2 B 24 24 HIS N N 1111 117.760 116.625 1.135 1 1 2162 . 19 2 2 B 25 25 SER H H 1112 7.980 7.878 0.102 1 1 2163 . 19 2 2 B 25 25 SER HA H 1112 4.340 3.870 0.470 1 1 2166 . 19 2 2 B 25 25 SER C C 1112 177.230 173.520 3.710 1 1 2167 . 19 2 2 B 25 25 SER CA C 1112 58.570 59.239 -0.669 1 1 2168 . 19 2 2 B 25 25 SER CB C 1112 63.800 61.889 1.911 1 1 2169 . 19 2 2 B 25 25 SER N N 1112 116.970 113.810 3.160 1 1 9 . 20 1 1 A 2 2 ASP H H 2 8.220 7.974 0.246 1 1 10 . 20 1 1 A 2 2 ASP HA H 2 4.500 4.444 0.056 1 1 13 . 20 1 1 A 2 2 ASP CA C 2 54.750 57.444 -2.694 1 1 14 . 20 1 1 A 2 2 ASP CB C 2 41.350 41.140 0.210 1 1 15 . 20 1 1 A 2 2 ASP N N 2 121.760 118.773 2.987 1 1 16 . 20 1 1 A 3 3 GLN H H 3 8.320 7.641 0.679 1 1 17 . 20 1 1 A 3 3 GLN HA H 3 4.240 4.840 -0.600 1 1 24 . 20 1 1 A 3 3 GLN CA C 3 55.750 54.745 1.005 1 1 25 . 20 1 1 A 3 3 GLN CB C 3 29.700 29.925 -0.225 1 1 27 . 20 1 1 A 3 3 GLN N N 3 119.800 117.196 2.604 1 1 29 . 20 1 1 A 4 4 LEU H H 4 8.250 8.579 -0.329 1 1 30 . 20 1 1 A 4 4 LEU HA H 4 4.540 4.406 0.134 1 1 40 . 20 1 1 A 4 4 LEU C C 4 175.740 176.669 -0.929 1 1 41 . 20 1 1 A 4 4 LEU CA C 4 54.600 55.782 -1.182 1 1 42 . 20 1 1 A 4 4 LEU CB C 4 43.600 44.859 -1.259 1 1 46 . 20 1 1 A 4 4 LEU N N 4 123.100 124.431 -1.331 1 1 47 . 20 1 1 A 5 5 THR H H 5 8.680 7.907 0.773 1 1 48 . 20 1 1 A 5 5 THR HA H 5 4.350 4.256 0.094 1 1 53 . 20 1 1 A 5 5 THR C C 5 175.750 175.705 0.045 1 1 54 . 20 1 1 A 5 5 THR CA C 5 60.500 63.761 -3.261 1 1 55 . 20 1 1 A 5 5 THR CB C 5 71.100 69.057 2.043 1 1 57 . 20 1 1 A 5 5 THR N N 5 112.700 114.917 -2.217 1 1 58 . 20 1 1 A 6 6 GLU H H 6 8.950 9.049 -0.099 1 1 59 . 20 1 1 A 6 6 GLU HA H 6 3.880 3.904 -0.024 1 1 64 . 20 1 1 A 6 6 GLU C C 6 177.790 178.459 -0.669 1 1 65 . 20 1 1 A 6 6 GLU CA C 6 60.200 60.219 -0.019 1 1 66 . 20 1 1 A 6 6 GLU CB C 6 29.300 29.655 -0.355 1 1 68 . 20 1 1 A 6 6 GLU N N 6 119.950 126.464 -6.514 1 1 69 . 20 1 1 A 7 7 GLU H H 7 8.660 8.129 0.531 1 1 70 . 20 1 1 A 7 7 GLU HA H 7 3.940 4.000 -0.060 1 1 75 . 20 1 1 A 7 7 GLU C C 7 175.460 179.001 -3.541 1 1 76 . 20 1 1 A 7 7 GLU CA C 7 60.200 59.735 0.465 1 1 77 . 20 1 1 A 7 7 GLU CB C 7 29.100 29.312 -0.212 1 1 79 . 20 1 1 A 7 7 GLU N N 7 119.250 119.101 0.149 1 1 80 . 20 1 1 A 8 8 GLN H H 8 7.670 7.819 -0.149 1 1 81 . 20 1 1 A 8 8 GLN HA H 8 3.760 4.282 -0.522 1 1 88 . 20 1 1 A 8 8 GLN C C 8 179.600 178.712 0.888 1 1 89 . 20 1 1 A 8 8 GLN CA C 8 58.800 58.626 0.174 1 1 90 . 20 1 1 A 8 8 GLN CB C 8 29.300 28.282 1.018 1 1 92 . 20 1 1 A 8 8 GLN N N 8 120.000 118.988 1.012 1 1 94 . 20 1 1 A 9 9 ILE H H 9 8.280 8.737 -0.457 1 1 95 . 20 1 1 A 9 9 ILE HA H 9 3.580 3.732 -0.152 1 1 105 . 20 1 1 A 9 9 ILE C C 9 179.270 177.969 1.301 1 1 106 . 20 1 1 A 9 9 ILE CA C 9 66.400 65.621 0.779 1 1 107 . 20 1 1 A 9 9 ILE CB C 9 38.100 37.982 0.118 1 1 111 . 20 1 1 A 9 9 ILE N N 9 119.400 120.019 -0.619 1 1 112 . 20 1 1 A 10 10 ALA H H 10 7.950 8.232 -0.282 1 1 113 . 20 1 1 A 10 10 ALA HA H 10 4.020 4.025 -0.005 1 1 117 . 20 1 1 A 10 10 ALA C C 10 178.490 180.054 -1.564 1 1 118 . 20 1 1 A 10 10 ALA CA C 10 55.400 55.902 -0.502 1 1 119 . 20 1 1 A 10 10 ALA CB C 10 17.950 18.242 -0.292 1 1 120 . 20 1 1 A 10 10 ALA N N 10 121.000 122.437 -1.437 1 1 121 . 20 1 1 A 11 11 GLU H H 11 7.730 8.156 -0.426 1 1 122 . 20 1 1 A 11 11 GLU HA H 11 4.030 4.276 -0.246 1 1 127 . 20 1 1 A 11 11 GLU C C 11 177.860 179.546 -1.686 1 1 128 . 20 1 1 A 11 11 GLU CA C 11 59.500 59.341 0.159 1 1 129 . 20 1 1 A 11 11 GLU CB C 11 29.500 29.856 -0.356 1 1 131 . 20 1 1 A 11 11 GLU N N 11 119.700 118.118 1.582 1 1 132 . 20 1 1 A 12 12 PHE H H 12 8.470 8.446 0.024 1 1 133 . 20 1 1 A 12 12 PHE HA H 12 4.910 4.282 0.628 1 1 141 . 20 1 1 A 12 12 PHE C C 12 181.140 178.083 3.057 1 1 142 . 20 1 1 A 12 12 PHE CA C 12 59.200 61.290 -2.090 1 1 143 . 20 1 1 A 12 12 PHE CB C 12 37.700 38.562 -0.862 1 1 149 . 20 1 1 A 12 12 PHE N N 12 119.900 119.436 0.464 1 1 150 . 20 1 1 A 13 13 LYS H H 13 9.180 8.527 0.653 1 1 151 . 20 1 1 A 13 13 LYS HA H 13 3.860 3.829 0.031 1 1 160 . 20 1 1 A 13 13 LYS C C 13 180.730 178.538 2.192 1 1 161 . 20 1 1 A 13 13 LYS CA C 13 60.300 60.034 0.266 1 1 162 . 20 1 1 A 13 13 LYS CB C 13 31.900 32.672 -0.772 1 1 166 . 20 1 1 A 13 13 LYS N N 13 124.000 120.440 3.560 1 1 167 . 20 1 1 A 14 14 GLU H H 14 7.770 8.022 -0.252 1 1 168 . 20 1 1 A 14 14 GLU HA H 14 4.050 4.023 0.027 1 1 173 . 20 1 1 A 14 14 GLU C C 14 178.750 179.117 -0.367 1 1 174 . 20 1 1 A 14 14 GLU CA C 14 59.300 59.494 -0.194 1 1 175 . 20 1 1 A 14 14 GLU CB C 14 29.300 29.152 0.148 1 1 177 . 20 1 1 A 14 14 GLU N N 14 120.060 118.428 1.632 1 1 178 . 20 1 1 A 15 15 ALA H H 15 8.020 7.459 0.561 1 1 179 . 20 1 1 A 15 15 ALA HA H 15 4.110 4.085 0.025 1 1 183 . 20 1 1 A 15 15 ALA C C 15 179.220 179.835 -0.615 1 1 184 . 20 1 1 A 15 15 ALA CA C 15 55.900 54.847 1.053 1 1 185 . 20 1 1 A 15 15 ALA CB C 15 18.430 17.861 0.569 1 1 186 . 20 1 1 A 15 15 ALA N N 15 121.660 122.691 -1.031 1 1 187 . 20 1 1 A 16 16 PHE H H 16 8.700 8.099 0.601 1 1 188 . 20 1 1 A 16 16 PHE HA H 16 3.190 3.617 -0.427 1 1 196 . 20 1 1 A 16 16 PHE C C 16 176.350 178.509 -2.159 1 1 197 . 20 1 1 A 16 16 PHE CA C 16 62.300 59.631 2.669 1 1 198 . 20 1 1 A 16 16 PHE CB C 16 39.800 37.938 1.862 1 1 204 . 20 1 1 A 16 16 PHE N N 16 118.400 116.428 1.972 1 1 205 . 20 1 1 A 17 17 SER H H 17 8.040 7.473 0.567 1 1 206 . 20 1 1 A 17 17 SER HA H 17 4.110 4.109 0.001 1 1 209 . 20 1 1 A 17 17 SER C C 17 178.820 176.290 2.530 1 1 210 . 20 1 1 A 17 17 SER CA C 17 61.600 61.708 -0.108 1 1 211 . 20 1 1 A 17 17 SER CB C 17 63.200 63.172 0.028 1 1 212 . 20 1 1 A 17 17 SER N N 17 114.290 115.454 -1.164 1 1 213 . 20 1 1 A 18 18 LEU H H 18 7.440 7.730 -0.290 1 1 214 . 20 1 1 A 18 18 LEU HA H 18 3.970 3.957 0.013 1 1 224 . 20 1 1 A 18 18 LEU C C 18 178.630 178.260 0.370 1 1 225 . 20 1 1 A 18 18 LEU CA C 18 56.800 57.852 -1.052 1 1 226 . 20 1 1 A 18 18 LEU CB C 18 42.600 41.529 1.071 1 1 230 . 20 1 1 A 18 18 LEU N N 18 118.200 122.524 -4.324 1 1 231 . 20 1 1 A 19 19 PHE H H 19 7.330 6.258 1.072 1 1 232 . 20 1 1 A 19 19 PHE HA H 19 3.950 4.647 -0.697 1 1 240 . 20 1 1 A 19 19 PHE C C 19 174.460 175.312 -0.852 1 1 241 . 20 1 1 A 19 19 PHE CA C 19 59.300 57.078 2.222 1 1 242 . 20 1 1 A 19 19 PHE CB C 19 41.800 39.665 2.135 1 1 248 . 20 1 1 A 19 19 PHE N N 19 114.900 113.454 1.446 1 1 249 . 20 1 1 A 20 20 ASP H H 20 7.780 6.990 0.790 1 1 250 . 20 1 1 A 20 20 ASP HA H 20 4.480 5.149 -0.669 1 1 253 . 20 1 1 A 20 20 ASP C C 20 176.700 175.713 0.987 1 1 254 . 20 1 1 A 20 20 ASP CA C 20 52.400 53.444 -1.044 1 1 255 . 20 1 1 A 20 20 ASP CB C 20 39.400 39.330 0.070 1 1 256 . 20 1 1 A 20 20 ASP N N 20 117.700 122.335 -4.635 1 1 257 . 20 1 1 A 21 21 LYS H H 21 7.480 7.959 -0.479 1 1 258 . 20 1 1 A 21 21 LYS HA H 21 3.840 4.084 -0.244 1 1 267 . 20 1 1 A 21 21 LYS C C 21 175.550 177.603 -2.053 1 1 268 . 20 1 1 A 21 21 LYS CA C 21 58.300 59.389 -1.089 1 1 269 . 20 1 1 A 21 21 LYS CB C 21 32.600 32.806 -0.206 1 1 273 . 20 1 1 A 21 21 LYS N N 21 124.200 125.033 -0.833 1 1 274 . 20 1 1 A 22 22 ASP H H 22 7.910 7.989 -0.079 1 1 275 . 20 1 1 A 22 22 ASP HA H 22 4.460 4.644 -0.184 1 1 278 . 20 1 1 A 22 22 ASP C C 22 176.920 177.785 -0.865 1 1 279 . 20 1 1 A 22 22 ASP CA C 22 53.400 53.073 0.327 1 1 280 . 20 1 1 A 22 22 ASP CB C 22 39.800 39.805 -0.005 1 1 281 . 20 1 1 A 22 22 ASP N N 22 113.500 114.346 -0.846 1 1 282 . 20 1 1 A 23 23 GLY H H 23 7.540 8.002 -0.462 1 1 283 . 20 1 1 A 23 23 GLY HA2 H 23 3.730 3.874 -0.144 1 1 284 . 20 1 1 A 23 23 GLY HA3 H 23 3.730 3.880 -0.150 1 1 285 . 20 1 1 A 23 23 GLY C C 23 178.030 175.133 2.897 1 1 286 . 20 1 1 A 23 23 GLY CA C 23 47.400 47.258 0.142 1 1 287 . 20 1 1 A 23 23 GLY N N 23 109.200 108.907 0.293 1 1 288 . 20 1 1 A 24 24 ASP H H 24 8.430 8.239 0.191 1 1 289 . 20 1 1 A 24 24 ASP HA H 24 4.410 4.588 -0.178 1 1 292 . 20 1 1 A 24 24 ASP C C 24 177.580 177.576 0.004 1 1 293 . 20 1 1 A 24 24 ASP CA C 24 53.770 53.581 0.189 1 1 294 . 20 1 1 A 24 24 ASP CB C 24 40.200 40.313 -0.113 1 1 295 . 20 1 1 A 24 24 ASP N N 24 120.700 120.596 0.104 1 1 296 . 20 1 1 A 25 25 GLY H H 25 10.370 9.504 0.866 1 1 297 . 20 1 1 A 25 25 GLY HA2 H 25 4.240 3.973 0.267 1 1 298 . 20 1 1 A 25 25 GLY HA3 H 25 3.610 3.995 -0.385 1 1 299 . 20 1 1 A 25 25 GLY C C 25 175.160 173.591 1.569 1 1 300 . 20 1 1 A 25 25 GLY CA C 25 45.300 45.505 -0.205 1 1 301 . 20 1 1 A 25 25 GLY N N 25 112.100 112.064 0.036 1 1 302 . 20 1 1 A 26 26 THR H H 26 8.060 7.835 0.225 1 1 303 . 20 1 1 A 26 26 THR HA H 26 5.430 5.012 0.418 1 1 308 . 20 1 1 A 26 26 THR C C 26 177.260 173.310 3.950 1 1 309 . 20 1 1 A 26 26 THR CA C 26 59.500 58.827 0.673 1 1 310 . 20 1 1 A 26 26 THR CB C 26 72.800 73.212 -0.412 1 1 312 . 20 1 1 A 26 26 THR N N 26 110.950 109.629 1.321 1 1 313 . 20 1 1 A 27 27 ILE H H 27 9.890 8.487 1.403 1 1 314 . 20 1 1 A 27 27 ILE HA H 27 4.680 4.821 -0.141 1 1 324 . 20 1 1 A 27 27 ILE C C 27 173.810 175.649 -1.839 1 1 325 . 20 1 1 A 27 27 ILE CA C 27 61.250 60.571 0.679 1 1 326 . 20 1 1 A 27 27 ILE CB C 27 40.700 38.463 2.237 1 1 330 . 20 1 1 A 27 27 ILE N N 27 125.400 124.534 0.866 1 1 331 . 20 1 1 A 28 28 THR H H 28 8.290 9.024 -0.734 1 1 332 . 20 1 1 A 28 28 THR HA H 28 4.680 4.914 -0.234 1 1 337 . 20 1 1 A 28 28 THR C C 28 173.550 175.989 -2.439 1 1 338 . 20 1 1 A 28 28 THR CA C 28 59.200 59.426 -0.226 1 1 339 . 20 1 1 A 28 28 THR CB C 28 72.600 72.115 0.485 1 1 341 . 20 1 1 A 28 28 THR N N 28 116.000 117.868 -1.868 1 1 342 . 20 1 1 A 29 29 THR H H 29 9.180 8.853 0.327 1 1 343 . 20 1 1 A 29 29 THR HA H 29 3.570 3.880 -0.310 1 1 348 . 20 1 1 A 29 29 THR C C 29 176.080 176.314 -0.234 1 1 349 . 20 1 1 A 29 29 THR CA C 29 66.100 66.631 -0.531 1 1 350 . 20 1 1 A 29 29 THR CB C 29 67.650 68.289 -0.639 1 1 352 . 20 1 1 A 29 29 THR N N 29 111.440 114.859 -3.419 1 1 353 . 20 1 1 A 30 30 LYS H H 30 7.340 7.979 -0.639 1 1 354 . 20 1 1 A 30 30 LYS HA H 30 3.960 3.910 0.050 1 1 363 . 20 1 1 A 30 30 LYS C C 30 176.660 179.390 -2.730 1 1 364 . 20 1 1 A 30 30 LYS CA C 30 59.100 59.932 -0.832 1 1 365 . 20 1 1 A 30 30 LYS CB C 30 32.700 32.319 0.381 1 1 369 . 20 1 1 A 30 30 LYS N N 30 120.350 122.682 -2.332 1 1 370 . 20 1 1 A 31 31 GLU H H 31 7.760 8.288 -0.528 1 1 371 . 20 1 1 A 31 31 GLU HA H 31 4.000 4.122 -0.122 1 1 376 . 20 1 1 A 31 31 GLU C C 31 177.230 179.002 -1.772 1 1 377 . 20 1 1 A 31 31 GLU CA C 31 59.600 58.951 0.649 1 1 378 . 20 1 1 A 31 31 GLU CB C 31 29.600 28.584 1.016 1 1 380 . 20 1 1 A 31 31 GLU N N 31 122.300 118.130 4.170 1 1 381 . 20 1 1 A 32 32 LEU H H 32 8.370 8.211 0.159 1 1 382 . 20 1 1 A 32 32 LEU HA H 32 4.060 3.847 0.213 1 1 392 . 20 1 1 A 32 32 LEU C C 32 179.400 178.680 0.720 1 1 393 . 20 1 1 A 32 32 LEU CA C 32 57.550 57.859 -0.309 1 1 394 . 20 1 1 A 32 32 LEU CB C 32 41.700 41.956 -0.256 1 1 398 . 20 1 1 A 32 32 LEU N N 32 120.100 123.037 -2.937 1 1 399 . 20 1 1 A 33 33 GLY H H 33 8.650 8.048 0.602 1 1 400 . 20 1 1 A 33 33 GLY HA2 H 33 3.450 3.800 -0.350 1 1 401 . 20 1 1 A 33 33 GLY HA3 H 33 3.800 3.802 -0.002 1 1 402 . 20 1 1 A 33 33 GLY C C 33 179.640 176.175 3.465 1 1 403 . 20 1 1 A 33 33 GLY CA C 33 48.300 47.817 0.483 1 1 404 . 20 1 1 A 33 33 GLY N N 33 105.700 106.146 -0.446 1 1 405 . 20 1 1 A 34 34 THR H H 34 8.070 7.813 0.257 1 1 406 . 20 1 1 A 34 34 THR HA H 34 3.790 4.019 -0.229 1 1 411 . 20 1 1 A 34 34 THR C C 34 178.670 176.136 2.534 1 1 412 . 20 1 1 A 34 34 THR CA C 34 67.300 66.806 0.494 1 1 413 . 20 1 1 A 34 34 THR CB C 34 68.700 68.640 0.060 1 1 415 . 20 1 1 A 34 34 THR N N 34 118.140 118.602 -0.462 1 1 416 . 20 1 1 A 35 35 VAL H H 35 7.510 7.767 -0.257 1 1 417 . 20 1 1 A 35 35 VAL HA H 35 3.480 3.571 -0.091 1 1 425 . 20 1 1 A 35 35 VAL C C 35 175.050 177.646 -2.596 1 1 426 . 20 1 1 A 35 35 VAL CA C 35 66.500 66.696 -0.196 1 1 427 . 20 1 1 A 35 35 VAL CB C 35 31.400 31.288 0.112 1 1 430 . 20 1 1 A 35 35 VAL N N 35 121.400 121.958 -0.558 1 1 431 . 20 1 1 A 36 36 MET H H 36 8.530 7.916 0.614 1 1 432 . 20 1 1 A 36 36 MET HA H 36 3.590 4.111 -0.521 1 1 440 . 20 1 1 A 36 36 MET C C 36 177.410 177.909 -0.499 1 1 441 . 20 1 1 A 36 36 MET CA C 36 61.900 58.539 3.361 1 1 442 . 20 1 1 A 36 36 MET CB C 36 32.600 31.287 1.313 1 1 445 . 20 1 1 A 36 36 MET N N 36 118.970 118.229 0.741 1 1 446 . 20 1 1 A 37 37 ARG H H 37 8.600 8.221 0.379 1 1 447 . 20 1 1 A 37 37 ARG HA H 37 4.720 4.140 0.580 1 1 454 . 20 1 1 A 37 37 ARG C C 37 179.250 178.842 0.408 1 1 455 . 20 1 1 A 37 37 ARG CA C 37 59.450 59.345 0.105 1 1 456 . 20 1 1 A 37 37 ARG CB C 37 30.200 30.066 0.134 1 1 459 . 20 1 1 A 37 37 ARG N N 37 118.400 120.304 -1.904 1 1 460 . 20 1 1 A 38 38 SER H H 38 7.830 8.039 -0.209 1 1 461 . 20 1 1 A 38 38 SER HA H 38 4.240 4.321 -0.081 1 1 464 . 20 1 1 A 38 38 SER C C 38 178.480 176.457 2.023 1 1 465 . 20 1 1 A 38 38 SER CA C 38 62.100 61.342 0.758 1 1 466 . 20 1 1 A 38 38 SER CB C 38 63.400 62.881 0.519 1 1 467 . 20 1 1 A 38 38 SER N N 38 119.400 115.315 4.085 1 1 468 . 20 1 1 A 39 39 LEU H H 39 7.280 8.352 -1.072 1 1 469 . 20 1 1 A 39 39 LEU HA H 39 4.360 4.460 -0.100 1 1 479 . 20 1 1 A 39 39 LEU C C 39 178.240 176.833 1.407 1 1 480 . 20 1 1 A 39 39 LEU CA C 39 54.300 55.450 -1.150 1 1 481 . 20 1 1 A 39 39 LEU CB C 39 42.100 42.721 -0.621 1 1 485 . 20 1 1 A 39 39 LEU N N 39 119.950 123.308 -3.358 1 1 486 . 20 1 1 A 40 40 GLY H H 40 7.740 8.591 -0.851 1 1 487 . 20 1 1 A 40 40 GLY HA2 H 40 4.140 3.922 0.218 1 1 488 . 20 1 1 A 40 40 GLY HA3 H 40 3.650 3.932 -0.282 1 1 489 . 20 1 1 A 40 40 GLY C C 40 176.140 173.634 2.506 1 1 490 . 20 1 1 A 40 40 GLY CA C 40 45.300 45.803 -0.503 1 1 491 . 20 1 1 A 40 40 GLY N N 40 105.750 108.391 -2.641 1 1 492 . 20 1 1 A 41 41 GLN H H 41 7.710 7.920 -0.210 1 1 493 . 20 1 1 A 41 41 GLN HA H 41 4.360 4.876 -0.516 1 1 500 . 20 1 1 A 41 41 GLN C C 41 176.700 173.975 2.725 1 1 501 . 20 1 1 A 41 41 GLN CA C 41 54.900 53.796 1.104 1 1 502 . 20 1 1 A 41 41 GLN CB C 41 29.600 32.433 -2.833 1 1 504 . 20 1 1 A 41 41 GLN N N 41 118.400 119.097 -0.697 1 1 506 . 20 1 1 A 42 42 ASN H H 42 8.640 8.816 -0.176 1 1 507 . 20 1 1 A 42 42 ASN HA H 42 5.150 5.399 -0.249 1 1 512 . 20 1 1 A 42 42 ASN CA C 42 51.200 50.624 0.576 1 1 513 . 20 1 1 A 42 42 ASN CB C 42 39.500 38.596 0.904 1 1 514 . 20 1 1 A 42 42 ASN N N 42 115.610 116.775 -1.165 1 1 516 . 20 1 1 A 43 43 PRO HA H 43 4.540 4.659 -0.119 1 1 523 . 20 1 1 A 43 43 PRO C C 43 179.440 177.043 2.397 1 1 524 . 20 1 1 A 43 43 PRO CA C 43 62.450 62.620 -0.170 1 1 525 . 20 1 1 A 43 43 PRO CB C 43 31.500 31.985 -0.485 1 1 528 . 20 1 1 A 44 44 THR H H 44 8.660 7.981 0.679 1 1 529 . 20 1 1 A 44 44 THR HA H 44 4.340 4.500 -0.160 1 1 534 . 20 1 1 A 44 44 THR CA C 44 60.450 60.361 0.089 1 1 535 . 20 1 1 A 44 44 THR CB C 44 71.400 70.912 0.488 1 1 537 . 20 1 1 A 44 44 THR N N 44 112.600 112.880 -0.280 1 1 538 . 20 1 1 A 45 45 GLU H H 45 8.720 9.049 -0.329 1 1 539 . 20 1 1 A 45 45 GLU HA H 45 3.870 4.059 -0.189 1 1 544 . 20 1 1 A 45 45 GLU C C 45 174.270 178.576 -4.306 1 1 545 . 20 1 1 A 45 45 GLU CA C 45 59.900 59.354 0.546 1 1 546 . 20 1 1 A 45 45 GLU CB C 45 29.200 29.120 0.080 1 1 548 . 20 1 1 A 45 45 GLU N N 45 120.150 121.163 -1.013 1 1 549 . 20 1 1 A 46 46 ALA H H 46 8.200 8.307 -0.107 1 1 550 . 20 1 1 A 46 46 ALA HA H 46 3.980 4.034 -0.054 1 1 554 . 20 1 1 A 46 46 ALA C C 46 175.180 179.851 -4.671 1 1 555 . 20 1 1 A 46 46 ALA CA C 46 55.100 54.866 0.234 1 1 556 . 20 1 1 A 46 46 ALA CB C 46 18.300 18.279 0.021 1 1 557 . 20 1 1 A 46 46 ALA N N 46 120.450 121.912 -1.462 1 1 558 . 20 1 1 A 47 47 GLU H H 47 7.630 7.855 -0.225 1 1 559 . 20 1 1 A 47 47 GLU HA H 47 3.890 4.122 -0.232 1 1 564 . 20 1 1 A 47 47 GLU C C 47 179.020 178.840 0.180 1 1 565 . 20 1 1 A 47 47 GLU CA C 47 59.500 58.877 0.623 1 1 566 . 20 1 1 A 47 47 GLU CB C 47 29.600 29.290 0.310 1 1 568 . 20 1 1 A 47 47 GLU N N 47 118.320 118.525 -0.205 1 1 569 . 20 1 1 A 48 48 LEU H H 48 7.880 8.111 -0.231 1 1 570 . 20 1 1 A 48 48 LEU HA H 48 3.790 3.954 -0.164 1 1 580 . 20 1 1 A 48 48 LEU C C 48 180.200 179.850 0.350 1 1 581 . 20 1 1 A 48 48 LEU CA C 48 58.150 57.958 0.192 1 1 582 . 20 1 1 A 48 48 LEU CB C 48 42.800 41.699 1.101 1 1 586 . 20 1 1 A 48 48 LEU N N 48 119.000 120.059 -1.059 1 1 587 . 20 1 1 A 49 49 GLN H H 49 8.080 8.293 -0.213 1 1 588 . 20 1 1 A 49 49 GLN HA H 49 3.630 3.992 -0.362 1 1 595 . 20 1 1 A 49 49 GLN C C 49 177.680 177.543 0.137 1 1 596 . 20 1 1 A 49 49 GLN CA C 49 58.600 58.974 -0.374 1 1 597 . 20 1 1 A 49 49 GLN CB C 49 28.500 28.630 -0.130 1 1 599 . 20 1 1 A 49 49 GLN N N 49 117.400 119.216 -1.816 1 1 601 . 20 1 1 A 50 50 ASP H H 50 7.960 8.223 -0.263 1 1 602 . 20 1 1 A 50 50 ASP HA H 50 4.300 4.297 0.003 1 1 605 . 20 1 1 A 50 50 ASP C C 50 178.470 178.546 -0.076 1 1 606 . 20 1 1 A 50 50 ASP CA C 50 57.700 57.909 -0.209 1 1 607 . 20 1 1 A 50 50 ASP CB C 50 40.600 41.896 -1.296 1 1 608 . 20 1 1 A 50 50 ASP N N 50 119.050 119.710 -0.660 1 1 609 . 20 1 1 A 51 51 MET H H 51 7.750 8.273 -0.523 1 1 610 . 20 1 1 A 51 51 MET HA H 51 4.000 4.199 -0.199 1 1 618 . 20 1 1 A 51 51 MET C C 51 178.170 178.787 -0.617 1 1 619 . 20 1 1 A 51 51 MET CA C 51 59.500 58.467 1.033 1 1 620 . 20 1 1 A 51 51 MET CB C 51 34.700 33.010 1.690 1 1 623 . 20 1 1 A 51 51 MET N N 51 117.900 117.738 0.162 1 1 624 . 20 1 1 A 52 52 ILE H H 52 7.580 7.823 -0.243 1 1 625 . 20 1 1 A 52 52 ILE HA H 52 3.620 3.533 0.087 1 1 635 . 20 1 1 A 52 52 ILE C C 52 178.690 177.897 0.793 1 1 636 . 20 1 1 A 52 52 ILE CA C 52 63.600 65.401 -1.801 1 1 637 . 20 1 1 A 52 52 ILE CB C 52 36.700 37.788 -1.088 1 1 641 . 20 1 1 A 52 52 ILE N N 52 116.850 119.262 -2.412 1 1 642 . 20 1 1 A 53 53 ASN H H 53 8.570 8.398 0.172 1 1 643 . 20 1 1 A 53 53 ASN HA H 53 4.310 4.427 -0.117 1 1 648 . 20 1 1 A 53 53 ASN CA C 53 56.400 56.485 -0.085 1 1 649 . 20 1 1 A 53 53 ASN CB C 53 38.300 37.940 0.360 1 1 650 . 20 1 1 A 53 53 ASN N N 53 116.900 118.472 -1.572 1 1 652 . 20 1 1 A 54 54 GLU H H 54 7.520 7.623 -0.103 1 1 653 . 20 1 1 A 54 54 GLU HA H 54 3.950 4.071 -0.121 1 1 658 . 20 1 1 A 54 54 GLU C C 54 178.070 178.698 -0.628 1 1 659 . 20 1 1 A 54 54 GLU CA C 54 59.000 59.203 -0.203 1 1 660 . 20 1 1 A 54 54 GLU CB C 54 29.800 29.232 0.568 1 1 662 . 20 1 1 A 54 54 GLU N N 54 115.650 120.639 -4.989 1 1 663 . 20 1 1 A 55 55 VAL H H 55 7.020 7.197 -0.177 1 1 664 . 20 1 1 A 55 55 VAL HA H 55 4.110 4.014 0.096 1 1 672 . 20 1 1 A 55 55 VAL C C 55 177.890 176.433 1.457 1 1 673 . 20 1 1 A 55 55 VAL CA C 55 61.210 64.832 -3.622 1 1 674 . 20 1 1 A 55 55 VAL CB C 55 33.100 32.054 1.046 1 1 677 . 20 1 1 A 55 55 VAL N N 55 111.500 117.764 -6.264 1 1 678 . 20 1 1 A 56 56 ASP H H 56 7.460 7.941 -0.481 1 1 679 . 20 1 1 A 56 56 ASP HA H 56 4.360 4.640 -0.280 1 1 682 . 20 1 1 A 56 56 ASP C C 56 177.620 176.620 1.000 1 1 683 . 20 1 1 A 56 56 ASP CA C 56 53.550 53.653 -0.103 1 1 684 . 20 1 1 A 56 56 ASP CB C 56 40.600 40.556 0.044 1 1 685 . 20 1 1 A 56 56 ASP N N 56 121.330 121.683 -0.353 1 1 686 . 20 1 1 A 57 57 ALA H H 57 7.780 8.287 -0.507 1 1 687 . 20 1 1 A 57 57 ALA HA H 57 4.080 4.082 -0.002 1 1 691 . 20 1 1 A 57 57 ALA C C 57 175.320 178.387 -3.067 1 1 692 . 20 1 1 A 57 57 ALA CA C 57 55.000 55.038 -0.038 1 1 693 . 20 1 1 A 57 57 ALA CB C 57 19.800 18.567 1.233 1 1 694 . 20 1 1 A 57 57 ALA N N 57 130.400 128.118 2.282 1 1 695 . 20 1 1 A 58 58 ASP H H 58 8.140 8.171 -0.031 1 1 696 . 20 1 1 A 58 58 ASP HA H 58 4.540 4.573 -0.033 1 1 699 . 20 1 1 A 58 58 ASP C C 58 176.130 177.490 -1.360 1 1 700 . 20 1 1 A 58 58 ASP CA C 58 52.950 53.233 -0.283 1 1 701 . 20 1 1 A 58 58 ASP CB C 58 40.100 40.016 0.084 1 1 702 . 20 1 1 A 58 58 ASP N N 58 113.200 113.147 0.053 1 1 703 . 20 1 1 A 59 59 GLY H H 59 7.530 7.634 -0.104 1 1 704 . 20 1 1 A 59 59 GLY HA2 H 59 3.700 3.920 -0.220 1 1 705 . 20 1 1 A 59 59 GLY HA3 H 59 3.820 3.921 -0.101 1 1 706 . 20 1 1 A 59 59 GLY C C 59 178.830 175.286 3.544 1 1 707 . 20 1 1 A 59 59 GLY CA C 59 47.450 46.932 0.518 1 1 708 . 20 1 1 A 59 59 GLY N N 59 108.180 109.283 -1.103 1 1 709 . 20 1 1 A 60 60 ASN H H 60 8.080 8.625 -0.545 1 1 710 . 20 1 1 A 60 60 ASN HA H 60 4.500 4.683 -0.183 1 1 715 . 20 1 1 A 60 60 ASN CA C 60 52.900 52.620 0.280 1 1 716 . 20 1 1 A 60 60 ASN CB C 60 37.900 37.873 0.027 1 1 717 . 20 1 1 A 60 60 ASN N N 60 118.700 118.566 0.134 1 1 719 . 20 1 1 A 61 61 GLY H H 61 10.640 10.273 0.367 1 1 720 . 20 1 1 A 61 61 GLY HA2 H 61 3.370 3.883 -0.513 1 1 721 . 20 1 1 A 61 61 GLY HA3 H 61 4.190 3.886 0.304 1 1 722 . 20 1 1 A 61 61 GLY C C 61 174.970 173.443 1.527 1 1 723 . 20 1 1 A 61 61 GLY CA C 61 45.300 45.393 -0.093 1 1 724 . 20 1 1 A 61 61 GLY N N 61 113.400 112.043 1.357 1 1 725 . 20 1 1 A 62 62 THR H H 62 7.550 7.858 -0.308 1 1 726 . 20 1 1 A 62 62 THR HA H 62 4.620 4.921 -0.301 1 1 731 . 20 1 1 A 62 62 THR C C 62 176.870 172.796 4.074 1 1 732 . 20 1 1 A 62 62 THR CA C 62 59.550 59.572 -0.022 1 1 733 . 20 1 1 A 62 62 THR CB C 62 72.500 72.645 -0.145 1 1 735 . 20 1 1 A 62 62 THR N N 62 107.860 109.811 -1.951 1 1 736 . 20 1 1 A 63 63 ILE H H 63 8.790 8.558 0.232 1 1 737 . 20 1 1 A 63 63 ILE HA H 63 5.280 4.965 0.315 1 1 747 . 20 1 1 A 63 63 ILE C C 63 173.250 175.256 -2.006 1 1 748 . 20 1 1 A 63 63 ILE CA C 63 57.600 59.980 -2.380 1 1 749 . 20 1 1 A 63 63 ILE CB C 63 39.400 39.247 0.153 1 1 753 . 20 1 1 A 63 63 ILE N N 63 123.900 121.901 1.999 1 1 754 . 20 1 1 A 64 64 ASP H H 64 8.720 8.910 -0.190 1 1 755 . 20 1 1 A 64 64 ASP HA H 64 5.350 5.048 0.302 1 1 758 . 20 1 1 A 64 64 ASP C C 64 172.850 177.921 -5.071 1 1 759 . 20 1 1 A 64 64 ASP CA C 64 52.100 52.787 -0.687 1 1 760 . 20 1 1 A 64 64 ASP CB C 64 42.150 42.956 -0.806 1 1 761 . 20 1 1 A 64 64 ASP N N 64 127.860 127.363 0.497 1 1 762 . 20 1 1 A 65 65 PHE H H 65 8.840 9.220 -0.380 1 1 763 . 20 1 1 A 65 65 PHE HA H 65 3.890 4.884 -0.994 1 1 771 . 20 1 1 A 65 65 PHE C C 65 175.750 174.679 1.071 1 1 772 . 20 1 1 A 65 65 PHE CA C 65 63.300 64.001 -0.701 1 1 773 . 20 1 1 A 65 65 PHE CB C 65 36.100 37.363 -1.263 1 1 779 . 20 1 1 A 65 65 PHE N N 65 117.500 123.189 -5.689 1 1 780 . 20 1 1 A 66 66 PRO HA H 66 3.770 4.365 -0.595 1 1 787 . 20 1 1 A 66 66 PRO C C 66 175.840 179.476 -3.636 1 1 788 . 20 1 1 A 66 66 PRO CA C 66 67.100 66.485 0.615 1 1 789 . 20 1 1 A 66 66 PRO CB C 66 30.700 30.904 -0.204 1 1 792 . 20 1 1 A 67 67 GLU H H 67 8.340 8.789 -0.449 1 1 793 . 20 1 1 A 67 67 GLU HA H 67 3.920 4.149 -0.229 1 1 798 . 20 1 1 A 67 67 GLU CA C 67 59.400 59.187 0.213 1 1 799 . 20 1 1 A 67 67 GLU CB C 67 29.650 29.156 0.494 1 1 801 . 20 1 1 A 67 67 GLU N N 67 117.850 117.912 -0.062 1 1 802 . 20 1 1 A 68 68 PHE H H 68 8.630 8.369 0.261 1 1 803 . 20 1 1 A 68 68 PHE HA H 68 3.670 4.209 -0.539 1 1 811 . 20 1 1 A 68 68 PHE C C 68 174.810 177.381 -2.571 1 1 812 . 20 1 1 A 68 68 PHE CA C 68 61.400 61.386 0.014 1 1 813 . 20 1 1 A 68 68 PHE CB C 68 40.700 39.341 1.359 1 1 819 . 20 1 1 A 68 68 PHE N N 68 123.200 123.373 -0.173 1 1 820 . 20 1 1 A 69 69 LEU H H 69 8.800 8.737 0.063 1 1 821 . 20 1 1 A 69 69 LEU HA H 69 3.130 4.029 -0.899 1 1 831 . 20 1 1 A 69 69 LEU C C 69 179.310 179.091 0.219 1 1 832 . 20 1 1 A 69 69 LEU CA C 69 58.000 58.325 -0.325 1 1 833 . 20 1 1 A 69 69 LEU CB C 69 41.550 42.045 -0.495 1 1 837 . 20 1 1 A 69 69 LEU N N 69 119.930 120.135 -0.205 1 1 838 . 20 1 1 A 70 70 THR H H 70 7.550 8.065 -0.515 1 1 839 . 20 1 1 A 70 70 THR HA H 70 3.530 4.070 -0.540 1 1 844 . 20 1 1 A 70 70 THR C C 70 180.360 177.372 2.988 1 1 845 . 20 1 1 A 70 70 THR CA C 70 66.700 65.540 1.160 1 1 846 . 20 1 1 A 70 70 THR CB C 70 68.500 68.140 0.360 1 1 848 . 20 1 1 A 70 70 THR N N 70 114.730 111.144 3.586 1 1 849 . 20 1 1 A 71 71 MET H H 71 7.000 8.025 -1.025 1 1 850 . 20 1 1 A 71 71 MET HA H 71 3.640 4.138 -0.498 1 1 858 . 20 1 1 A 71 71 MET C C 71 176.750 178.379 -1.629 1 1 859 . 20 1 1 A 71 71 MET CA C 71 58.800 58.078 0.722 1 1 860 . 20 1 1 A 71 71 MET CB C 71 32.000 32.368 -0.368 1 1 863 . 20 1 1 A 71 71 MET N N 71 119.750 120.625 -0.875 1 1 864 . 20 1 1 A 72 72 MET H H 72 7.810 8.186 -0.376 1 1 865 . 20 1 1 A 72 72 MET HA H 72 3.880 4.206 -0.326 1 1 873 . 20 1 1 A 72 72 MET C C 72 174.850 178.314 -3.464 1 1 874 . 20 1 1 A 72 72 MET CA C 72 55.100 59.075 -3.975 1 1 875 . 20 1 1 A 72 72 MET CB C 72 28.900 33.092 -4.192 1 1 878 . 20 1 1 A 72 72 MET N N 72 115.300 118.634 -3.334 1 1 879 . 20 1 1 A 73 73 ALA H H 73 7.880 8.198 -0.318 1 1 880 . 20 1 1 A 73 73 ALA HA H 73 3.990 3.994 -0.004 1 1 884 . 20 1 1 A 73 73 ALA C C 73 177.940 178.806 -0.866 1 1 885 . 20 1 1 A 73 73 ALA CA C 73 53.900 55.203 -1.303 1 1 886 . 20 1 1 A 73 73 ALA CB C 73 18.600 18.343 0.257 1 1 887 . 20 1 1 A 73 73 ALA N N 73 120.000 121.028 -1.028 1 1 888 . 20 1 1 A 74 74 ARG H H 74 7.050 7.212 -0.162 1 1 889 . 20 1 1 A 74 74 ARG HA H 74 4.040 4.371 -0.331 1 1 896 . 20 1 1 A 74 74 ARG C C 74 178.910 176.753 2.157 1 1 897 . 20 1 1 A 74 74 ARG CA C 74 57.400 56.387 1.013 1 1 898 . 20 1 1 A 74 74 ARG CB C 74 30.900 30.535 0.365 1 1 901 . 20 1 1 A 74 74 ARG N N 74 115.850 115.572 0.278 1 1 902 . 20 1 1 A 75 75 LYS H H 75 7.820 7.600 0.220 1 1 903 . 20 1 1 A 75 75 LYS HA H 75 4.200 4.320 -0.120 1 1 912 . 20 1 1 A 75 75 LYS C C 75 178.770 176.568 2.202 1 1 913 . 20 1 1 A 75 75 LYS CA C 75 55.900 55.190 0.710 1 1 914 . 20 1 1 A 75 75 LYS CB C 75 32.600 30.871 1.729 1 1 918 . 20 1 1 A 75 75 LYS N N 75 119.600 121.150 -1.550 1 1 919 . 20 1 1 A 76 76 MET H H 76 8.100 8.233 -0.133 1 1 920 . 20 1 1 A 76 76 MET HA H 76 4.300 4.843 -0.543 1 1 928 . 20 1 1 A 76 76 MET C C 76 176.990 175.914 1.076 1 1 929 . 20 1 1 A 76 76 MET CA C 76 55.800 54.105 1.695 1 1 930 . 20 1 1 A 76 76 MET CB C 76 33.800 32.880 0.920 1 1 933 . 20 1 1 A 76 76 MET N N 76 122.300 124.380 -2.080 1 1 934 . 20 1 1 A 77 77 LYS H H 77 8.150 7.604 0.546 1 1 935 . 20 1 1 A 77 77 LYS HA H 77 4.210 4.110 0.100 1 1 944 . 20 1 1 A 77 77 LYS C C 77 176.890 175.364 1.526 1 1 945 . 20 1 1 A 77 77 LYS CA C 77 56.100 56.897 -0.797 1 1 946 . 20 1 1 A 77 77 LYS CB C 77 33.000 32.912 0.088 1 1 950 . 20 1 1 A 77 77 LYS N N 77 121.300 122.328 -1.028 1 1 951 . 20 1 1 A 78 78 ASP H H 78 8.240 8.744 -0.504 1 1 952 . 20 1 1 A 78 78 ASP HA H 78 4.500 4.864 -0.364 1 1 955 . 20 1 1 A 78 78 ASP C C 78 176.090 174.650 1.440 1 1 956 . 20 1 1 A 78 78 ASP CA C 78 54.700 53.126 1.574 1 1 957 . 20 1 1 A 78 78 ASP CB C 78 41.300 41.472 -0.172 1 1 958 . 20 1 1 A 78 78 ASP N N 78 122.200 126.703 -4.503 1 1 959 . 20 1 1 A 79 79 THR H H 79 8.150 8.769 -0.619 1 1 960 . 20 1 1 A 79 79 THR HA H 79 4.220 4.588 -0.368 1 1 965 . 20 1 1 A 79 79 THR C C 79 176.240 173.948 2.292 1 1 966 . 20 1 1 A 79 79 THR CA C 79 61.500 62.604 -1.104 1 1 967 . 20 1 1 A 79 79 THR CB C 79 70.300 69.619 0.681 1 1 969 . 20 1 1 A 79 79 THR N N 79 114.940 121.655 -6.715 1 1 970 . 20 1 1 A 80 80 ASP H H 80 8.480 8.899 -0.419 1 1 971 . 20 1 1 A 80 80 ASP HA H 80 4.600 4.637 -0.037 1 1 974 . 20 1 1 A 80 80 ASP C C 80 176.230 176.670 -0.440 1 1 975 . 20 1 1 A 80 80 ASP CA C 80 54.100 54.656 -0.556 1 1 976 . 20 1 1 A 80 80 ASP CB C 80 41.600 40.665 0.935 1 1 977 . 20 1 1 A 80 80 ASP N N 80 123.800 127.452 -3.652 1 1 978 . 20 1 1 A 81 81 SER H H 81 8.500 8.947 -0.447 1 1 979 . 20 1 1 A 81 81 SER HA H 81 4.220 4.094 0.126 1 1 982 . 20 1 1 A 81 81 SER C C 81 173.900 176.688 -2.788 1 1 983 . 20 1 1 A 81 81 SER CA C 81 60.400 61.824 -1.424 1 1 984 . 20 1 1 A 81 81 SER CB C 81 63.700 62.709 0.991 1 1 985 . 20 1 1 A 81 81 SER N N 81 118.450 120.577 -2.127 1 1 986 . 20 1 1 A 82 82 GLU H H 82 8.430 8.031 0.399 1 1 987 . 20 1 1 A 82 82 GLU HA H 82 4.010 4.179 -0.169 1 1 992 . 20 1 1 A 82 82 GLU C C 82 176.370 179.432 -3.062 1 1 993 . 20 1 1 A 82 82 GLU CA C 82 59.100 59.298 -0.198 1 1 994 . 20 1 1 A 82 82 GLU CB C 82 29.600 29.172 0.428 1 1 996 . 20 1 1 A 82 82 GLU N N 82 121.850 121.144 0.706 1 1 997 . 20 1 1 A 83 83 GLU H H 83 8.020 8.863 -0.843 1 1 998 . 20 1 1 A 83 83 GLU HA H 83 4.040 4.034 0.006 1 1 1003 . 20 1 1 A 83 83 GLU C C 83 175.890 178.805 -2.915 1 1 1004 . 20 1 1 A 83 83 GLU CA C 83 58.800 59.385 -0.585 1 1 1005 . 20 1 1 A 83 83 GLU CB C 83 29.400 29.282 0.118 1 1 1007 . 20 1 1 A 83 83 GLU N N 83 119.470 119.369 0.101 1 1 1008 . 20 1 1 A 84 84 GLU H H 84 7.930 7.865 0.065 1 1 1009 . 20 1 1 A 84 84 GLU HA H 84 4.150 4.173 -0.023 1 1 1014 . 20 1 1 A 84 84 GLU C C 84 176.160 179.443 -3.283 1 1 1015 . 20 1 1 A 84 84 GLU CA C 84 59.400 58.803 0.597 1 1 1016 . 20 1 1 A 84 84 GLU CB C 84 29.600 29.499 0.101 1 1 1018 . 20 1 1 A 84 84 GLU N N 84 118.310 119.288 -0.978 1 1 1019 . 20 1 1 A 85 85 ILE H H 85 7.880 8.051 -0.171 1 1 1020 . 20 1 1 A 85 85 ILE HA H 85 3.880 3.717 0.163 1 1 1030 . 20 1 1 A 85 85 ILE C C 85 179.870 177.686 2.184 1 1 1031 . 20 1 1 A 85 85 ILE CA C 85 65.400 64.989 0.411 1 1 1032 . 20 1 1 A 85 85 ILE CB C 85 37.400 37.634 -0.234 1 1 1036 . 20 1 1 A 85 85 ILE N N 85 120.900 120.843 0.057 1 1 1037 . 20 1 1 A 86 86 ARG H H 86 7.990 8.325 -0.335 1 1 1038 . 20 1 1 A 86 86 ARG HA H 86 4.030 4.005 0.025 1 1 1045 . 20 1 1 A 86 86 ARG C C 86 180.520 179.132 1.388 1 1 1046 . 20 1 1 A 86 86 ARG CA C 86 60.200 59.999 0.201 1 1 1047 . 20 1 1 A 86 86 ARG CB C 86 29.800 29.762 0.038 1 1 1050 . 20 1 1 A 86 86 ARG N N 86 121.000 119.539 1.461 1 1 1051 . 20 1 1 A 87 87 GLU H H 87 8.350 8.521 -0.171 1 1 1052 . 20 1 1 A 87 87 GLU HA H 87 3.900 4.077 -0.177 1 1 1057 . 20 1 1 A 87 87 GLU C C 87 177.380 179.522 -2.142 1 1 1058 . 20 1 1 A 87 87 GLU CA C 87 59.600 59.456 0.144 1 1 1059 . 20 1 1 A 87 87 GLU CB C 87 29.500 29.746 -0.246 1 1 1061 . 20 1 1 A 87 87 GLU N N 87 117.860 119.815 -1.955 1 1 1062 . 20 1 1 A 88 88 ALA H H 88 7.880 7.883 -0.003 1 1 1063 . 20 1 1 A 88 88 ALA HA H 88 4.060 4.232 -0.172 1 1 1067 . 20 1 1 A 88 88 ALA C C 88 178.580 179.701 -1.121 1 1 1068 . 20 1 1 A 88 88 ALA CA C 88 55.200 54.763 0.437 1 1 1069 . 20 1 1 A 88 88 ALA CB C 88 17.900 18.250 -0.350 1 1 1070 . 20 1 1 A 88 88 ALA N N 88 120.100 122.467 -2.367 1 1 1071 . 20 1 1 A 89 89 PHE H H 89 8.550 7.809 0.741 1 1 1072 . 20 1 1 A 89 89 PHE HA H 89 4.000 3.777 0.223 1 1 1080 . 20 1 1 A 89 89 PHE C C 89 179.770 177.309 2.461 1 1 1081 . 20 1 1 A 89 89 PHE CA C 89 61.800 61.324 0.476 1 1 1082 . 20 1 1 A 89 89 PHE CB C 89 39.130 39.060 0.070 1 1 1088 . 20 1 1 A 89 89 PHE N N 89 118.760 119.439 -0.679 1 1 1089 . 20 1 1 A 90 90 ARG H H 90 7.750 7.859 -0.109 1 1 1090 . 20 1 1 A 90 90 ARG HA H 90 3.760 4.025 -0.265 1 1 1097 . 20 1 1 A 90 90 ARG C C 90 179.090 178.816 0.274 1 1 1098 . 20 1 1 A 90 90 ARG CA C 90 58.800 59.168 -0.368 1 1 1099 . 20 1 1 A 90 90 ARG CB C 90 30.500 29.793 0.707 1 1 1102 . 20 1 1 A 90 90 ARG N N 90 115.100 118.496 -3.396 1 1 1103 . 20 1 1 A 91 91 VAL H H 91 7.270 7.552 -0.282 1 1 1104 . 20 1 1 A 91 91 VAL HA H 91 3.360 3.566 -0.206 1 1 1112 . 20 1 1 A 91 91 VAL C C 91 179.060 178.042 1.018 1 1 1113 . 20 1 1 A 91 91 VAL CA C 91 66.050 66.368 -0.318 1 1 1114 . 20 1 1 A 91 91 VAL CB C 91 31.200 31.743 -0.543 1 1 1117 . 20 1 1 A 91 91 VAL N N 91 117.450 119.507 -2.057 1 1 1118 . 20 1 1 A 92 92 PHE H H 92 7.000 7.758 -0.758 1 1 1119 . 20 1 1 A 92 92 PHE HA H 92 4.070 4.178 -0.108 1 1 1127 . 20 1 1 A 92 92 PHE C C 92 177.490 176.351 1.139 1 1 1128 . 20 1 1 A 92 92 PHE CA C 92 60.700 59.678 1.022 1 1 1129 . 20 1 1 A 92 92 PHE CB C 92 38.000 39.434 -1.434 1 1 1135 . 20 1 1 A 92 92 PHE N N 92 114.400 118.506 -4.106 1 1 1136 . 20 1 1 A 93 93 ASP H H 93 7.870 8.140 -0.270 1 1 1137 . 20 1 1 A 93 93 ASP HA H 93 4.450 4.457 -0.007 1 1 1140 . 20 1 1 A 93 93 ASP C C 93 176.830 176.745 0.085 1 1 1141 . 20 1 1 A 93 93 ASP CA C 93 52.300 52.481 -0.181 1 1 1142 . 20 1 1 A 93 93 ASP CB C 93 38.800 39.431 -0.631 1 1 1143 . 20 1 1 A 93 93 ASP N N 93 115.100 117.116 -2.016 1 1 1144 . 20 1 1 A 94 94 LYS H H 94 7.510 7.906 -0.396 1 1 1145 . 20 1 1 A 94 94 LYS HA H 94 3.770 4.094 -0.324 1 1 1154 . 20 1 1 A 94 94 LYS C C 94 176.650 177.924 -1.274 1 1 1155 . 20 1 1 A 94 94 LYS CA C 94 59.400 58.877 0.523 1 1 1156 . 20 1 1 A 94 94 LYS CB C 94 32.800 32.743 0.057 1 1 1160 . 20 1 1 A 94 94 LYS N N 94 124.250 125.548 -1.298 1 1 1161 . 20 1 1 A 95 95 ASP H H 95 8.190 7.489 0.701 1 1 1162 . 20 1 1 A 95 95 ASP HA H 95 4.430 4.602 -0.172 1 1 1165 . 20 1 1 A 95 95 ASP C C 95 177.580 177.595 -0.015 1 1 1166 . 20 1 1 A 95 95 ASP CA C 95 53.600 53.170 0.430 1 1 1167 . 20 1 1 A 95 95 ASP CB C 95 39.900 39.958 -0.058 1 1 1168 . 20 1 1 A 95 95 ASP N N 95 113.600 114.477 -0.877 1 1 1169 . 20 1 1 A 96 96 GLY H H 96 7.770 7.944 -0.174 1 1 1170 . 20 1 1 A 96 96 GLY HA2 H 96 3.750 3.884 -0.134 1 1 1171 . 20 1 1 A 96 96 GLY HA3 H 96 3.750 3.897 -0.147 1 1 1172 . 20 1 1 A 96 96 GLY C C 96 178.400 175.482 2.918 1 1 1173 . 20 1 1 A 96 96 GLY CA C 96 47.100 46.996 0.104 1 1 1174 . 20 1 1 A 96 96 GLY N N 96 108.900 109.117 -0.217 1 1 1175 . 20 1 1 A 97 97 ASN H H 97 8.270 8.147 0.123 1 1 1176 . 20 1 1 A 97 97 ASN HA H 97 4.520 4.760 -0.240 1 1 1181 . 20 1 1 A 97 97 ASN CA C 97 52.900 52.362 0.538 1 1 1182 . 20 1 1 A 97 97 ASN CB C 97 38.100 38.152 -0.052 1 1 1183 . 20 1 1 A 97 97 ASN N N 97 119.460 118.878 0.582 1 1 1185 . 20 1 1 A 98 98 GLY H H 98 10.660 9.380 1.280 1 1 1186 . 20 1 1 A 98 98 GLY HA2 H 98 3.330 3.618 -0.288 1 1 1187 . 20 1 1 A 98 98 GLY HA3 H 98 3.960 3.840 0.120 1 1 1188 . 20 1 1 A 98 98 GLY C C 98 178.360 172.666 5.694 1 1 1189 . 20 1 1 A 98 98 GLY CA C 98 45.800 45.286 0.514 1 1 1190 . 20 1 1 A 98 98 GLY N N 98 112.700 111.493 1.207 1 1 1191 . 20 1 1 A 99 99 TYR H H 99 7.570 8.697 -1.127 1 1 1192 . 20 1 1 A 99 99 TYR HA H 99 4.850 5.349 -0.499 1 1 1199 . 20 1 1 A 99 99 TYR C C 99 176.090 175.054 1.036 1 1 1200 . 20 1 1 A 99 99 TYR CA C 99 56.250 55.988 0.262 1 1 1201 . 20 1 1 A 99 99 TYR CB C 99 42.700 43.202 -0.502 1 1 1206 . 20 1 1 A 99 99 TYR N N 99 115.850 117.435 -1.585 1 1 1207 . 20 1 1 A 100 100 ILE H H 100 10.120 9.176 0.944 1 1 1208 . 20 1 1 A 100 100 ILE HA H 100 4.600 4.828 -0.228 1 1 1218 . 20 1 1 A 100 100 ILE C C 100 172.730 175.498 -2.768 1 1 1219 . 20 1 1 A 100 100 ILE CA C 100 61.500 60.568 0.932 1 1 1220 . 20 1 1 A 100 100 ILE CB C 100 39.300 39.112 0.188 1 1 1224 . 20 1 1 A 100 100 ILE N N 100 127.260 124.859 2.401 1 1 1225 . 20 1 1 A 101 101 SER H H 101 9.010 9.513 -0.503 1 1 1226 . 20 1 1 A 101 101 SER HA H 101 4.820 4.612 0.208 1 1 1229 . 20 1 1 A 101 101 SER C C 101 174.660 175.772 -1.112 1 1 1230 . 20 1 1 A 101 101 SER CA C 101 55.900 58.052 -2.152 1 1 1231 . 20 1 1 A 101 101 SER CB C 101 67.000 64.439 2.561 1 1 1232 . 20 1 1 A 101 101 SER N N 101 123.850 123.917 -0.067 1 1 1233 . 20 1 1 A 102 102 ALA H H 102 9.240 9.041 0.199 1 1 1234 . 20 1 1 A 102 102 ALA HA H 102 3.830 4.069 -0.239 1 1 1238 . 20 1 1 A 102 102 ALA C C 102 175.840 179.843 -4.003 1 1 1239 . 20 1 1 A 102 102 ALA CA C 102 56.170 55.827 0.343 1 1 1240 . 20 1 1 A 102 102 ALA CB C 102 18.200 17.971 0.229 1 1 1241 . 20 1 1 A 102 102 ALA N N 102 122.650 126.734 -4.084 1 1 1242 . 20 1 1 A 103 103 ALA H H 103 8.180 8.140 0.040 1 1 1243 . 20 1 1 A 103 103 ALA HA H 103 3.980 3.985 -0.005 1 1 1247 . 20 1 1 A 103 103 ALA C C 103 175.260 180.236 -4.976 1 1 1248 . 20 1 1 A 103 103 ALA CA C 103 55.200 55.211 -0.011 1 1 1249 . 20 1 1 A 103 103 ALA CB C 103 18.500 18.700 -0.200 1 1 1250 . 20 1 1 A 103 103 ALA N N 103 118.250 119.504 -1.254 1 1 1251 . 20 1 1 A 104 104 GLU H H 104 7.860 7.889 -0.029 1 1 1252 . 20 1 1 A 104 104 GLU HA H 104 3.890 3.902 -0.012 1 1 1257 . 20 1 1 A 104 104 GLU C C 104 179.350 179.044 0.306 1 1 1258 . 20 1 1 A 104 104 GLU CA C 104 59.800 59.411 0.389 1 1 1259 . 20 1 1 A 104 104 GLU CB C 104 29.500 29.721 -0.221 1 1 1261 . 20 1 1 A 104 104 GLU N N 104 120.200 118.069 2.131 1 1 1262 . 20 1 1 A 105 105 LEU H H 105 8.500 7.911 0.589 1 1 1263 . 20 1 1 A 105 105 LEU HA H 105 3.960 3.941 0.019 1 1 1273 . 20 1 1 A 105 105 LEU C C 105 179.190 178.792 0.398 1 1 1274 . 20 1 1 A 105 105 LEU CA C 105 58.400 57.849 0.551 1 1 1275 . 20 1 1 A 105 105 LEU CB C 105 42.600 41.701 0.899 1 1 1279 . 20 1 1 A 105 105 LEU N N 105 120.100 121.112 -1.012 1 1 1280 . 20 1 1 A 106 106 ARG H H 106 8.490 8.489 0.001 1 1 1281 . 20 1 1 A 106 106 ARG HA H 106 3.550 3.960 -0.410 1 1 1288 . 20 1 1 A 106 106 ARG C C 106 175.240 178.912 -3.672 1 1 1289 . 20 1 1 A 106 106 ARG CA C 106 60.300 59.753 0.547 1 1 1290 . 20 1 1 A 106 106 ARG CB C 106 30.400 29.829 0.571 1 1 1293 . 20 1 1 A 106 106 ARG N N 106 117.300 118.511 -1.211 1 1 1294 . 20 1 1 A 107 107 HIS H H 107 7.870 8.055 -0.185 1 1 1295 . 20 1 1 A 107 107 HIS HA H 107 4.120 4.194 -0.074 1 1 1300 . 20 1 1 A 107 107 HIS C C 107 176.690 177.150 -0.460 1 1 1301 . 20 1 1 A 107 107 HIS CA C 107 60.300 59.006 1.294 1 1 1302 . 20 1 1 A 107 107 HIS CB C 107 31.100 29.697 1.403 1 1 1304 . 20 1 1 A 107 107 HIS N N 107 120.000 120.403 -0.403 1 1 1306 . 20 1 1 A 108 108 VAL H H 108 8.190 8.625 -0.435 1 1 1307 . 20 1 1 A 108 108 VAL HA H 108 3.400 3.342 0.058 1 1 1315 . 20 1 1 A 108 108 VAL C C 108 178.430 177.828 0.602 1 1 1316 . 20 1 1 A 108 108 VAL CA C 108 66.500 66.397 0.103 1 1 1317 . 20 1 1 A 108 108 VAL CB C 108 31.800 31.058 0.742 1 1 1320 . 20 1 1 A 108 108 VAL N N 108 118.980 119.500 -0.520 1 1 1321 . 20 1 1 A 109 109 MET H H 109 8.180 7.680 0.500 1 1 1322 . 20 1 1 A 109 109 MET HA H 109 4.220 4.053 0.167 1 1 1330 . 20 1 1 A 109 109 MET C C 109 179.690 178.217 1.473 1 1 1331 . 20 1 1 A 109 109 MET CA C 109 57.300 58.591 -1.291 1 1 1332 . 20 1 1 A 109 109 MET CB C 109 29.700 32.307 -2.607 1 1 1335 . 20 1 1 A 109 109 MET N N 109 114.980 117.522 -2.542 1 1 1336 . 20 1 1 A 110 110 THR H H 110 8.220 8.165 0.055 1 1 1337 . 20 1 1 A 110 110 THR HA H 110 4.000 4.015 -0.015 1 1 1342 . 20 1 1 A 110 110 THR C C 110 176.410 177.141 -0.731 1 1 1343 . 20 1 1 A 110 110 THR CA C 110 67.100 65.929 1.171 1 1 1344 . 20 1 1 A 110 110 THR CB C 110 68.500 68.081 0.419 1 1 1346 . 20 1 1 A 110 110 THR N N 110 116.970 112.969 4.001 1 1 1347 . 20 1 1 A 111 111 ASN H H 111 7.780 7.535 0.245 1 1 1348 . 20 1 1 A 111 111 ASN HA H 111 4.320 4.465 -0.145 1 1 1353 . 20 1 1 A 111 111 ASN CA C 111 55.800 56.111 -0.311 1 1 1354 . 20 1 1 A 111 111 ASN CB C 111 38.200 37.845 0.355 1 1 1355 . 20 1 1 A 111 111 ASN N N 111 122.350 121.190 1.160 1 1 1357 . 20 1 1 A 112 112 LEU H H 112 7.480 7.471 0.009 1 1 1358 . 20 1 1 A 112 112 LEU HA H 112 4.210 4.269 -0.059 1 1 1368 . 20 1 1 A 112 112 LEU C C 112 178.710 177.081 1.629 1 1 1369 . 20 1 1 A 112 112 LEU CA C 112 55.100 55.218 -0.118 1 1 1370 . 20 1 1 A 112 112 LEU CB C 112 42.500 42.520 -0.020 1 1 1374 . 20 1 1 A 112 112 LEU N N 112 118.300 117.231 1.069 1 1 1375 . 20 1 1 A 113 113 GLY H H 113 7.740 7.747 -0.007 1 1 1376 . 20 1 1 A 113 113 GLY HA2 H 113 3.580 3.910 -0.330 1 1 1377 . 20 1 1 A 113 113 GLY HA3 H 113 4.140 3.919 0.221 1 1 1378 . 20 1 1 A 113 113 GLY C C 113 176.830 174.808 2.022 1 1 1379 . 20 1 1 A 113 113 GLY CA C 113 45.370 46.437 -1.067 1 1 1380 . 20 1 1 A 113 113 GLY N N 113 106.500 108.312 -1.812 1 1 1381 . 20 1 1 A 114 114 GLU H H 114 7.780 7.738 0.042 1 1 1382 . 20 1 1 A 114 114 GLU HA H 114 4.240 4.228 0.012 1 1 1387 . 20 1 1 A 114 114 GLU C C 114 176.790 176.120 0.670 1 1 1388 . 20 1 1 A 114 114 GLU CA C 114 54.800 58.049 -3.249 1 1 1389 . 20 1 1 A 114 114 GLU CB C 114 29.900 30.171 -0.271 1 1 1391 . 20 1 1 A 114 114 GLU N N 114 119.300 121.286 -1.986 1 1 1392 . 20 1 1 A 115 115 LYS H H 115 8.540 7.844 0.696 1 1 1393 . 20 1 1 A 115 115 LYS HA H 115 4.270 3.775 0.495 1 1 1402 . 20 1 1 A 115 115 LYS C C 115 174.300 175.011 -0.711 1 1 1403 . 20 1 1 A 115 115 LYS CA C 115 55.500 57.176 -1.676 1 1 1404 . 20 1 1 A 115 115 LYS CB C 115 31.900 29.757 2.143 1 1 1408 . 20 1 1 A 115 115 LYS N N 115 125.000 118.222 6.778 1 1 1409 . 20 1 1 A 116 116 LEU H H 116 8.000 7.602 0.398 1 1 1410 . 20 1 1 A 116 116 LEU HA H 116 4.630 4.626 0.004 1 1 1420 . 20 1 1 A 116 116 LEU C C 116 175.060 176.774 -1.714 1 1 1421 . 20 1 1 A 116 116 LEU CA C 116 54.100 53.812 0.288 1 1 1422 . 20 1 1 A 116 116 LEU CB C 116 44.100 43.158 0.942 1 1 1426 . 20 1 1 A 116 116 LEU N N 116 123.620 116.386 7.234 1 1 1427 . 20 1 1 A 117 117 THR H H 117 9.140 8.567 0.573 1 1 1428 . 20 1 1 A 117 117 THR HA H 117 4.340 4.642 -0.302 1 1 1433 . 20 1 1 A 117 117 THR C C 117 175.610 175.572 0.038 1 1 1434 . 20 1 1 A 117 117 THR CA C 117 60.500 60.503 -0.003 1 1 1435 . 20 1 1 A 117 117 THR CB C 117 71.100 71.459 -0.359 1 1 1437 . 20 1 1 A 117 117 THR N N 117 114.240 111.734 2.506 1 1 1438 . 20 1 1 A 118 118 ASP H H 118 8.820 8.930 -0.110 1 1 1439 . 20 1 1 A 118 118 ASP HA H 118 4.100 4.273 -0.173 1 1 1442 . 20 1 1 A 118 118 ASP C C 118 178.610 178.247 0.363 1 1 1443 . 20 1 1 A 118 118 ASP CA C 118 58.000 58.136 -0.136 1 1 1444 . 20 1 1 A 118 118 ASP CB C 118 39.700 40.202 -0.502 1 1 1445 . 20 1 1 A 118 118 ASP N N 118 120.660 122.001 -1.341 1 1 1446 . 20 1 1 A 119 119 GLU H H 119 8.450 8.317 0.133 1 1 1447 . 20 1 1 A 119 119 GLU HA H 119 3.960 3.963 -0.003 1 1 1452 . 20 1 1 A 119 119 GLU C C 119 175.620 179.431 -3.811 1 1 1453 . 20 1 1 A 119 119 GLU CA C 119 59.800 59.756 0.044 1 1 1454 . 20 1 1 A 119 119 GLU CB C 119 29.400 29.316 0.084 1 1 1456 . 20 1 1 A 119 119 GLU N N 119 118.790 119.911 -1.121 1 1 1457 . 20 1 1 A 120 120 GLU H H 120 7.570 7.308 0.262 1 1 1458 . 20 1 1 A 120 120 GLU HA H 120 3.950 4.142 -0.192 1 1 1463 . 20 1 1 A 120 120 GLU C C 120 178.630 179.103 -0.473 1 1 1464 . 20 1 1 A 120 120 GLU CA C 120 59.600 58.763 0.837 1 1 1465 . 20 1 1 A 120 120 GLU CB C 120 29.400 29.137 0.263 1 1 1467 . 20 1 1 A 120 120 GLU N N 120 120.120 118.839 1.281 1 1 1468 . 20 1 1 A 121 121 VAL H H 121 7.750 7.938 -0.188 1 1 1469 . 20 1 1 A 121 121 VAL HA H 121 3.240 3.544 -0.304 1 1 1477 . 20 1 1 A 121 121 VAL C C 121 179.110 177.841 1.269 1 1 1478 . 20 1 1 A 121 121 VAL CA C 121 67.300 66.439 0.861 1 1 1479 . 20 1 1 A 121 121 VAL CB C 121 31.550 31.437 0.113 1 1 1482 . 20 1 1 A 121 121 VAL N N 121 119.400 121.372 -1.972 1 1 1483 . 20 1 1 A 122 122 ASP H H 122 7.840 7.936 -0.096 1 1 1484 . 20 1 1 A 122 122 ASP HA H 122 4.260 4.317 -0.057 1 1 1487 . 20 1 1 A 122 122 ASP C C 122 178.890 178.284 0.606 1 1 1488 . 20 1 1 A 122 122 ASP CA C 122 57.700 57.467 0.233 1 1 1489 . 20 1 1 A 122 122 ASP CB C 122 40.200 40.880 -0.680 1 1 1490 . 20 1 1 A 122 122 ASP N N 122 118.550 120.246 -1.696 1 1 1491 . 20 1 1 A 123 123 GLU H H 123 8.110 8.296 -0.186 1 1 1492 . 20 1 1 A 123 123 GLU HA H 123 3.880 4.078 -0.198 1 1 1497 . 20 1 1 A 123 123 GLU C C 123 177.710 178.882 -1.172 1 1 1498 . 20 1 1 A 123 123 GLU CA C 123 59.600 59.357 0.243 1 1 1499 . 20 1 1 A 123 123 GLU CB C 123 29.400 28.979 0.421 1 1 1501 . 20 1 1 A 123 123 GLU N N 123 119.670 119.370 0.300 1 1 1502 . 20 1 1 A 124 124 MET H H 124 8.000 8.168 -0.168 1 1 1503 . 20 1 1 A 124 124 MET HA H 124 3.700 4.191 -0.491 1 1 1511 . 20 1 1 A 124 124 MET C C 124 179.020 178.884 0.136 1 1 1512 . 20 1 1 A 124 124 MET CA C 124 60.700 59.044 1.656 1 1 1513 . 20 1 1 A 124 124 MET CB C 124 33.200 32.943 0.257 1 1 1516 . 20 1 1 A 124 124 MET N N 124 118.100 118.738 -0.638 1 1 1517 . 20 1 1 A 125 125 ILE H H 125 8.220 7.791 0.429 1 1 1518 . 20 1 1 A 125 125 ILE HA H 125 3.610 3.619 -0.009 1 1 1528 . 20 1 1 A 125 125 ILE C C 125 179.410 177.940 1.470 1 1 1529 . 20 1 1 A 125 125 ILE CA C 125 64.200 65.017 -0.817 1 1 1530 . 20 1 1 A 125 125 ILE CB C 125 36.000 37.797 -1.797 1 1 1534 . 20 1 1 A 125 125 ILE N N 125 121.400 119.569 1.831 1 1 1535 . 20 1 1 A 126 126 ARG H H 126 8.510 7.985 0.525 1 1 1536 . 20 1 1 A 126 126 ARG HA H 126 3.930 3.894 0.036 1 1 1543 . 20 1 1 A 126 126 ARG C C 126 178.070 178.739 -0.669 1 1 1544 . 20 1 1 A 126 126 ARG CA C 126 59.500 59.742 -0.242 1 1 1545 . 20 1 1 A 126 126 ARG CB C 126 30.300 29.621 0.679 1 1 1548 . 20 1 1 A 126 126 ARG N N 126 117.650 120.256 -2.606 1 1 1549 . 20 1 1 A 127 127 GLU H H 127 7.820 8.206 -0.386 1 1 1550 . 20 1 1 A 127 127 GLU HA H 127 3.880 4.033 -0.153 1 1 1555 . 20 1 1 A 127 127 GLU C C 127 180.080 178.222 1.858 1 1 1556 . 20 1 1 A 127 127 GLU CA C 127 58.300 59.319 -1.019 1 1 1557 . 20 1 1 A 127 127 GLU CB C 127 29.800 29.279 0.521 1 1 1559 . 20 1 1 A 127 127 GLU N N 127 115.300 118.674 -3.374 1 1 1560 . 20 1 1 A 128 128 ALA H H 128 6.960 7.275 -0.315 1 1 1561 . 20 1 1 A 128 128 ALA HA H 128 4.340 4.347 -0.007 1 1 1565 . 20 1 1 A 128 128 ALA C C 128 181.640 177.291 4.349 1 1 1566 . 20 1 1 A 128 128 ALA CA C 128 51.700 52.479 -0.779 1 1 1567 . 20 1 1 A 128 128 ALA CB C 128 22.400 20.057 2.343 1 1 1568 . 20 1 1 A 128 128 ALA N N 128 115.890 121.128 -5.238 1 1 1569 . 20 1 1 A 129 129 ASP H H 129 8.210 7.886 0.324 1 1 1570 . 20 1 1 A 129 129 ASP HA H 129 4.360 4.594 -0.234 1 1 1573 . 20 1 1 A 129 129 ASP C C 129 176.420 176.663 -0.243 1 1 1574 . 20 1 1 A 129 129 ASP CA C 129 54.300 54.028 0.272 1 1 1575 . 20 1 1 A 129 129 ASP CB C 129 40.400 40.641 -0.241 1 1 1576 . 20 1 1 A 129 129 ASP N N 129 117.100 117.925 -0.825 1 1 1577 . 20 1 1 A 130 130 ILE H H 130 8.250 9.308 -1.058 1 1 1578 . 20 1 1 A 130 130 ILE HA H 130 3.800 3.988 -0.188 1 1 1588 . 20 1 1 A 130 130 ILE C C 130 177.960 175.483 2.477 1 1 1589 . 20 1 1 A 130 130 ILE CA C 130 63.500 62.971 0.529 1 1 1590 . 20 1 1 A 130 130 ILE CB C 130 38.500 38.311 0.189 1 1 1594 . 20 1 1 A 130 130 ILE N N 130 127.900 127.691 0.209 1 1 1595 . 20 1 1 A 131 131 ASP H H 131 8.220 7.648 0.572 1 1 1596 . 20 1 1 A 131 131 ASP HA H 131 4.400 4.939 -0.539 1 1 1599 . 20 1 1 A 131 131 ASP C C 131 175.850 175.907 -0.057 1 1 1600 . 20 1 1 A 131 131 ASP CA C 131 53.800 52.404 1.396 1 1 1601 . 20 1 1 A 131 131 ASP CB C 131 39.900 44.031 -4.131 1 1 1602 . 20 1 1 A 131 131 ASP N N 131 116.250 117.271 -1.021 1 1 1603 . 20 1 1 A 132 132 GLY H H 132 7.520 9.064 -1.544 1 1 1604 . 20 1 1 A 132 132 GLY HA2 H 132 3.700 3.890 -0.190 1 1 1605 . 20 1 1 A 132 132 GLY HA3 H 132 3.900 3.894 0.006 1 1 1606 . 20 1 1 A 132 132 GLY C C 132 177.820 175.055 2.765 1 1 1607 . 20 1 1 A 132 132 GLY CA C 132 47.400 47.224 0.176 1 1 1608 . 20 1 1 A 132 132 GLY N N 132 108.170 107.914 0.256 1 1 1609 . 20 1 1 A 133 133 ASP H H 133 8.240 8.404 -0.164 1 1 1610 . 20 1 1 A 133 133 ASP HA H 133 4.360 4.545 -0.185 1 1 1613 . 20 1 1 A 133 133 ASP C C 133 178.290 177.558 0.732 1 1 1614 . 20 1 1 A 133 133 ASP CA C 133 53.800 53.471 0.329 1 1 1615 . 20 1 1 A 133 133 ASP CB C 133 40.300 40.291 0.009 1 1 1616 . 20 1 1 A 133 133 ASP N N 133 120.370 120.085 0.285 1 1 1617 . 20 1 1 A 134 134 GLY H H 134 10.140 9.541 0.599 1 1 1618 . 20 1 1 A 134 134 GLY HA2 H 134 3.300 3.833 -0.533 1 1 1619 . 20 1 1 A 134 134 GLY HA3 H 134 3.930 3.843 0.087 1 1 1620 . 20 1 1 A 134 134 GLY C C 134 175.350 173.233 2.117 1 1 1621 . 20 1 1 A 134 134 GLY CA C 134 45.900 45.626 0.274 1 1 1622 . 20 1 1 A 134 134 GLY N N 134 112.150 111.321 0.829 1 1 1623 . 20 1 1 A 135 135 GLN H H 135 7.910 7.874 0.036 1 1 1624 . 20 1 1 A 135 135 GLN HA H 135 4.870 4.983 -0.113 1 1 1631 . 20 1 1 A 135 135 GLN C C 135 177.620 174.489 3.131 1 1 1632 . 20 1 1 A 135 135 GLN CA C 135 53.300 53.633 -0.333 1 1 1633 . 20 1 1 A 135 135 GLN CB C 135 33.000 32.605 0.395 1 1 1635 . 20 1 1 A 135 135 GLN N N 135 114.700 118.501 -3.801 1 1 1637 . 20 1 1 A 136 136 VAL H H 136 9.070 8.879 0.191 1 1 1638 . 20 1 1 A 136 136 VAL HA H 136 5.110 5.151 -0.041 1 1 1646 . 20 1 1 A 136 136 VAL C C 136 172.750 175.791 -3.041 1 1 1647 . 20 1 1 A 136 136 VAL CA C 136 61.800 61.721 0.079 1 1 1648 . 20 1 1 A 136 136 VAL CB C 136 34.100 33.015 1.085 1 1 1651 . 20 1 1 A 136 136 VAL N N 136 124.900 122.223 2.677 1 1 1652 . 20 1 1 A 137 137 ASN H H 137 9.450 9.057 0.393 1 1 1653 . 20 1 1 A 137 137 ASN HA H 137 5.240 5.311 -0.071 1 1 1658 . 20 1 1 A 137 137 ASN CA C 137 51.400 52.772 -1.372 1 1 1659 . 20 1 1 A 137 137 ASN CB C 137 40.000 39.679 0.321 1 1 1660 . 20 1 1 A 137 137 ASN N N 137 128.840 126.034 2.806 1 1 1662 . 20 1 1 A 138 138 TYR H H 138 8.330 8.992 -0.662 1 1 1663 . 20 1 1 A 138 138 TYR HA H 138 3.240 4.333 -1.093 1 1 1670 . 20 1 1 A 138 138 TYR C C 138 180.030 177.199 2.831 1 1 1671 . 20 1 1 A 138 138 TYR CA C 138 62.400 62.368 0.032 1 1 1672 . 20 1 1 A 138 138 TYR CB C 138 38.000 38.520 -0.520 1 1 1677 . 20 1 1 A 138 138 TYR N N 138 118.150 123.682 -5.532 1 1 1678 . 20 1 1 A 139 139 GLU H H 139 7.990 8.244 -0.254 1 1 1679 . 20 1 1 A 139 139 GLU HA H 139 3.520 3.813 -0.293 1 1 1684 . 20 1 1 A 139 139 GLU C C 139 179.170 179.340 -0.170 1 1 1685 . 20 1 1 A 139 139 GLU CA C 139 60.550 60.260 0.290 1 1 1686 . 20 1 1 A 139 139 GLU CB C 139 29.100 29.607 -0.507 1 1 1688 . 20 1 1 A 139 139 GLU N N 139 118.100 117.901 0.199 1 1 1689 . 20 1 1 A 140 140 GLU H H 140 8.640 8.178 0.462 1 1 1690 . 20 1 1 A 140 140 GLU HA H 140 3.780 4.073 -0.293 1 1 1695 . 20 1 1 A 140 140 GLU C C 140 181.440 178.986 2.454 1 1 1696 . 20 1 1 A 140 140 GLU CA C 140 58.800 59.152 -0.352 1 1 1697 . 20 1 1 A 140 140 GLU CB C 140 29.200 29.622 -0.422 1 1 1699 . 20 1 1 A 140 140 GLU N N 140 119.300 120.361 -1.061 1 1 1700 . 20 1 1 A 141 141 PHE H H 141 8.470 8.133 0.337 1 1 1701 . 20 1 1 A 141 141 PHE HA H 141 3.380 3.906 -0.526 1 1 1709 . 20 1 1 A 141 141 PHE C C 141 178.980 176.799 2.181 1 1 1710 . 20 1 1 A 141 141 PHE CA C 141 61.900 61.346 0.554 1 1 1711 . 20 1 1 A 141 141 PHE CB C 141 40.200 39.270 0.930 1 1 1717 . 20 1 1 A 141 141 PHE N N 141 123.640 121.765 1.875 1 1 1718 . 20 1 1 A 142 142 VAL H H 142 8.510 8.108 0.402 1 1 1719 . 20 1 1 A 142 142 VAL HA H 142 3.000 3.320 -0.320 1 1 1727 . 20 1 1 A 142 142 VAL C C 142 176.540 177.626 -1.086 1 1 1728 . 20 1 1 A 142 142 VAL CA C 142 66.900 66.356 0.544 1 1 1729 . 20 1 1 A 142 142 VAL CB C 142 31.450 31.356 0.094 1 1 1732 . 20 1 1 A 142 142 VAL N N 142 118.330 118.927 -0.597 1 1 1733 . 20 1 1 A 143 143 GLN H H 143 7.520 8.135 -0.615 1 1 1734 . 20 1 1 A 143 143 GLN HA H 143 3.750 3.907 -0.157 1 1 1741 . 20 1 1 A 143 143 GLN C C 143 176.630 178.219 -1.589 1 1 1742 . 20 1 1 A 143 143 GLN CA C 143 58.900 59.265 -0.365 1 1 1743 . 20 1 1 A 143 143 GLN CB C 143 28.200 28.079 0.121 1 1 1745 . 20 1 1 A 143 143 GLN N N 143 118.100 119.430 -1.330 1 1 1747 . 20 1 1 A 144 144 MET H H 144 7.250 7.835 -0.585 1 1 1748 . 20 1 1 A 144 144 MET HA H 144 4.090 4.235 -0.145 1 1 1756 . 20 1 1 A 144 144 MET C C 144 179.340 178.825 0.515 1 1 1757 . 20 1 1 A 144 144 MET CA C 144 56.750 57.284 -0.534 1 1 1758 . 20 1 1 A 144 144 MET CB C 144 30.800 32.435 -1.635 1 1 1761 . 20 1 1 A 144 144 MET N N 144 117.300 117.913 -0.613 1 1 1762 . 20 1 1 A 145 145 MET H H 145 7.460 7.841 -0.381 1 1 1763 . 20 1 1 A 145 145 MET HA H 145 3.900 4.028 -0.128 1 1 1771 . 20 1 1 A 145 145 MET C C 145 178.110 178.696 -0.586 1 1 1772 . 20 1 1 A 145 145 MET CA C 145 56.800 57.895 -1.095 1 1 1773 . 20 1 1 A 145 145 MET CB C 145 31.800 33.704 -1.904 1 1 1776 . 20 1 1 A 145 145 MET N N 145 114.350 118.716 -4.366 1 1 1777 . 20 1 1 A 146 146 THR H H 146 7.560 8.012 -0.452 1 1 1778 . 20 1 1 A 146 146 THR HA H 146 4.220 4.161 0.059 1 1 1783 . 20 1 1 A 146 146 THR C C 146 177.440 175.073 2.367 1 1 1784 . 20 1 1 A 146 146 THR CA C 146 62.650 64.671 -2.021 1 1 1785 . 20 1 1 A 146 146 THR CB C 146 69.700 69.212 0.488 1 1 1787 . 20 1 1 A 146 146 THR N N 146 109.350 112.627 -3.277 1 1 1788 . 20 1 1 A 147 147 ALA H H 147 7.420 7.726 -0.306 1 1 1789 . 20 1 1 A 147 147 ALA HA H 147 4.170 3.992 0.178 1 1 1793 . 20 1 1 A 147 147 ALA C C 147 177.480 178.177 -0.697 1 1 1794 . 20 1 1 A 147 147 ALA CA C 147 52.900 53.676 -0.776 1 1 1795 . 20 1 1 A 147 147 ALA CB C 147 19.200 18.770 0.430 1 1 1796 . 20 1 1 A 147 147 ALA N N 147 125.650 123.563 2.087 1 1 1814 . 20 2 2 B 1 1 ARG H H 1088 8.270 8.856 -0.586 1 1 1815 . 20 2 2 B 1 1 ARG HA H 1088 3.860 4.901 -1.041 1 1 1822 . 20 2 2 B 1 1 ARG CA C 1088 59.900 54.579 5.321 1 1 1823 . 20 2 2 B 1 1 ARG CB C 1088 29.900 32.088 -2.188 1 1 1826 . 20 2 2 B 1 1 ARG N N 1088 117.300 119.033 -1.733 1 1 1827 . 20 2 2 B 2 2 GLY H H 1089 9.370 8.893 0.477 1 1 1828 . 20 2 2 B 2 2 GLY HA2 H 1089 3.520 3.949 -0.429 1 1 1829 . 20 2 2 B 2 2 GLY HA3 H 1089 3.730 3.970 -0.240 1 1 1830 . 20 2 2 B 2 2 GLY C C 1089 176.650 175.541 1.109 1 1 1831 . 20 2 2 B 2 2 GLY CA C 1089 47.200 46.611 0.589 1 1 1832 . 20 2 2 B 2 2 GLY N N 1089 105.000 109.681 -4.681 1 1 1833 . 20 2 2 B 3 3 GLN H H 1090 6.980 7.862 -0.882 1 1 1834 . 20 2 2 B 3 3 GLN HA H 1090 3.830 4.160 -0.330 1 1 1841 . 20 2 2 B 3 3 GLN C C 1090 177.680 178.699 -1.019 1 1 1842 . 20 2 2 B 3 3 GLN CA C 1090 59.100 58.737 0.363 1 1 1843 . 20 2 2 B 3 3 GLN CB C 1090 29.800 28.465 1.335 1 1 1845 . 20 2 2 B 3 3 GLN N N 1090 117.350 119.916 -2.566 1 1 1847 . 20 2 2 B 4 4 ILE H H 1091 7.760 7.835 -0.075 1 1 1848 . 20 2 2 B 4 4 ILE HA H 1091 3.480 3.640 -0.160 1 1 1858 . 20 2 2 B 4 4 ILE C C 1091 175.070 178.251 -3.181 1 1 1859 . 20 2 2 B 4 4 ILE CA C 1091 65.600 65.969 -0.369 1 1 1860 . 20 2 2 B 4 4 ILE CB C 1091 38.000 38.185 -0.185 1 1 1864 . 20 2 2 B 4 4 ILE N N 1091 119.650 121.176 -1.526 1 1 1865 . 20 2 2 B 5 5 LEU H H 1092 7.830 8.335 -0.505 1 1 1866 . 20 2 2 B 5 5 LEU HA H 1092 3.820 3.906 -0.086 1 1 1876 . 20 2 2 B 5 5 LEU C C 1092 176.220 179.097 -2.877 1 1 1877 . 20 2 2 B 5 5 LEU CA C 1092 58.250 58.385 -0.135 1 1 1878 . 20 2 2 B 5 5 LEU CB C 1092 41.700 42.189 -0.489 1 1 1882 . 20 2 2 B 5 5 LEU N N 1092 119.200 118.702 0.498 1 1 1883 . 20 2 2 B 6 6 TRP H H 1093 7.650 8.275 -0.625 1 1 1884 . 20 2 2 B 6 6 TRP HA H 1093 4.120 4.344 -0.224 1 1 1893 . 20 2 2 B 6 6 TRP C C 1093 178.490 179.270 -0.780 1 1 1894 . 20 2 2 B 6 6 TRP CA C 1093 61.100 60.404 0.696 1 1 1895 . 20 2 2 B 6 6 TRP CB C 1093 30.000 29.342 0.658 1 1 1901 . 20 2 2 B 6 6 TRP N N 1093 119.200 118.599 0.601 1 1 1903 . 20 2 2 B 7 7 PHE H H 1094 8.400 8.434 -0.034 1 1 1904 . 20 2 2 B 7 7 PHE HA H 1094 4.390 4.230 0.160 1 1 1912 . 20 2 2 B 7 7 PHE C C 1094 178.840 177.293 1.547 1 1 1913 . 20 2 2 B 7 7 PHE CA C 1094 59.700 61.432 -1.732 1 1 1914 . 20 2 2 B 7 7 PHE CB C 1094 37.000 39.165 -2.165 1 1 1919 . 20 2 2 B 7 7 PHE N N 1094 117.800 119.923 -2.123 1 1 1920 . 20 2 2 B 8 8 ARG H H 1095 8.360 8.364 -0.004 1 1 1921 . 20 2 2 B 8 8 ARG HA H 1095 4.140 4.168 -0.028 1 1 1928 . 20 2 2 B 8 8 ARG C C 1095 178.290 179.945 -1.655 1 1 1929 . 20 2 2 B 8 8 ARG CA C 1095 59.600 59.363 0.237 1 1 1930 . 20 2 2 B 8 8 ARG CB C 1095 30.500 30.122 0.378 1 1 1933 . 20 2 2 B 8 8 ARG N N 1095 120.800 117.465 3.335 1 1 1934 . 20 2 2 B 9 9 GLY H H 1096 8.330 8.285 0.045 1 1 1935 . 20 2 2 B 9 9 GLY HA2 H 1096 3.560 3.622 -0.062 1 1 1936 . 20 2 2 B 9 9 GLY HA3 H 1096 3.720 3.654 0.066 1 1 1937 . 20 2 2 B 9 9 GLY C C 1096 178.010 175.559 2.451 1 1 1938 . 20 2 2 B 9 9 GLY CA C 1096 47.200 47.334 -0.134 1 1 1939 . 20 2 2 B 9 9 GLY N N 1096 106.400 108.663 -2.263 1 1 1940 . 20 2 2 B 10 10 LEU H H 1097 9.090 8.086 1.004 1 1 1941 . 20 2 2 B 10 10 LEU HA H 1097 4.150 3.926 0.224 1 1 1951 . 20 2 2 B 10 10 LEU C C 1097 178.820 178.414 0.406 1 1 1952 . 20 2 2 B 10 10 LEU CA C 1097 58.500 57.180 1.320 1 1 1953 . 20 2 2 B 10 10 LEU CB C 1097 41.600 40.936 0.664 1 1 1957 . 20 2 2 B 10 10 LEU N N 1097 120.900 122.656 -1.756 1 1 1958 . 20 2 2 B 11 11 ASN H H 1098 8.380 8.035 0.345 1 1 1959 . 20 2 2 B 11 11 ASN HA H 1098 4.440 4.313 0.127 1 1 1964 . 20 2 2 B 11 11 ASN CA C 1098 56.700 56.941 -0.241 1 1 1965 . 20 2 2 B 11 11 ASN CB C 1098 38.700 39.725 -1.025 1 1 1966 . 20 2 2 B 11 11 ASN N N 1098 116.900 117.274 -0.374 1 1 1968 . 20 2 2 B 12 12 ARG H H 1099 7.900 7.613 0.287 1 1 1969 . 20 2 2 B 12 12 ARG HA H 1099 3.980 4.095 -0.115 1 1 1976 . 20 2 2 B 12 12 ARG C C 1099 178.360 178.419 -0.059 1 1 1977 . 20 2 2 B 12 12 ARG CA C 1099 60.200 59.169 1.031 1 1 1978 . 20 2 2 B 12 12 ARG CB C 1099 32.600 30.061 2.539 1 1 1981 . 20 2 2 B 12 12 ARG N N 1099 120.100 118.363 1.737 1 1 1982 . 20 2 2 B 13 13 ILE H H 1100 8.230 8.034 0.196 1 1 1983 . 20 2 2 B 13 13 ILE HA H 1100 3.840 3.646 0.194 1 1 1993 . 20 2 2 B 13 13 ILE C C 1100 178.110 177.934 0.176 1 1 1994 . 20 2 2 B 13 13 ILE CA C 1100 63.800 65.511 -1.711 1 1 1995 . 20 2 2 B 13 13 ILE CB C 1100 37.300 37.561 -0.261 1 1 1999 . 20 2 2 B 13 13 ILE N N 1100 120.350 120.938 -0.588 1 1 2000 . 20 2 2 B 14 14 GLN H H 1101 8.830 7.787 1.043 1 1 2001 . 20 2 2 B 14 14 GLN HA H 1101 3.990 3.932 0.058 1 1 2008 . 20 2 2 B 14 14 GLN C C 1101 177.860 178.823 -0.963 1 1 2009 . 20 2 2 B 14 14 GLN CA C 1101 60.000 59.088 0.912 1 1 2010 . 20 2 2 B 14 14 GLN CB C 1101 28.800 28.433 0.367 1 1 2012 . 20 2 2 B 14 14 GLN N N 1101 118.700 118.037 0.663 1 1 2014 . 20 2 2 B 15 15 THR H H 1102 8.140 8.157 -0.017 1 1 2015 . 20 2 2 B 15 15 THR HA H 1102 3.890 3.799 0.091 1 1 2020 . 20 2 2 B 15 15 THR C C 1102 177.470 176.483 0.987 1 1 2021 . 20 2 2 B 15 15 THR CA C 1102 67.400 67.404 -0.004 1 1 2022 . 20 2 2 B 15 15 THR CB C 1102 70.300 68.419 1.881 1 1 2024 . 20 2 2 B 15 15 THR N N 1102 117.500 117.522 -0.022 1 1 2025 . 20 2 2 B 16 16 GLN H H 1103 8.320 8.341 -0.021 1 1 2026 . 20 2 2 B 16 16 GLN HA H 1103 4.100 3.949 0.151 1 1 2033 . 20 2 2 B 16 16 GLN C C 1103 178.890 178.432 0.458 1 1 2034 . 20 2 2 B 16 16 GLN CA C 1103 60.600 59.337 1.263 1 1 2035 . 20 2 2 B 16 16 GLN CB C 1103 30.500 28.445 2.055 1 1 2037 . 20 2 2 B 16 16 GLN N N 1103 120.650 119.149 1.501 1 1 2039 . 20 2 2 B 17 17 ILE H H 1104 8.690 7.330 1.360 1 1 2040 . 20 2 2 B 17 17 ILE HA H 1104 3.470 4.046 -0.576 1 1 2050 . 20 2 2 B 17 17 ILE C C 1104 175.230 177.926 -2.696 1 1 2051 . 20 2 2 B 17 17 ILE CA C 1104 66.150 61.846 4.304 1 1 2052 . 20 2 2 B 17 17 ILE CB C 1104 38.300 38.076 0.224 1 1 2056 . 20 2 2 B 17 17 ILE N N 1104 119.400 119.717 -0.317 1 1 2057 . 20 2 2 B 18 18 LYS H H 1105 7.950 8.924 -0.974 1 1 2058 . 20 2 2 B 18 18 LYS HA H 1105 3.900 3.988 -0.088 1 1 2067 . 20 2 2 B 18 18 LYS C C 1105 177.660 178.640 -0.980 1 1 2068 . 20 2 2 B 18 18 LYS CA C 1105 60.050 59.818 0.232 1 1 2069 . 20 2 2 B 18 18 LYS CB C 1105 32.700 32.203 0.497 1 1 2073 . 20 2 2 B 18 18 LYS N N 1105 120.280 123.428 -3.148 1 1 2074 . 20 2 2 B 19 19 VAL H H 1106 8.280 7.662 0.618 1 1 2075 . 20 2 2 B 19 19 VAL HA H 1106 3.430 3.786 -0.356 1 1 2083 . 20 2 2 B 19 19 VAL C C 1106 177.660 178.380 -0.720 1 1 2084 . 20 2 2 B 19 19 VAL CA C 1106 65.900 66.621 -0.721 1 1 2085 . 20 2 2 B 19 19 VAL CB C 1106 31.400 31.739 -0.339 1 1 2088 . 20 2 2 B 19 19 VAL N N 1106 120.660 119.329 1.331 1 1 2089 . 20 2 2 B 20 20 VAL H H 1107 8.420 8.046 0.374 1 1 2090 . 20 2 2 B 20 20 VAL HA H 1107 3.580 3.950 -0.370 1 1 2098 . 20 2 2 B 20 20 VAL C C 1107 178.930 178.354 0.576 1 1 2099 . 20 2 2 B 20 20 VAL CA C 1107 68.390 66.023 2.367 1 1 2100 . 20 2 2 B 20 20 VAL CB C 1107 31.200 31.494 -0.294 1 1 2103 . 20 2 2 B 20 20 VAL N N 1107 119.990 116.498 3.492 1 1 2104 . 20 2 2 B 21 21 LYS H H 1108 8.300 8.159 0.141 1 1 2105 . 20 2 2 B 21 21 LYS HA H 1108 4.050 4.099 -0.049 1 1 2114 . 20 2 2 B 21 21 LYS C C 1108 177.230 178.884 -1.654 1 1 2115 . 20 2 2 B 21 21 LYS CA C 1108 59.980 59.827 0.153 1 1 2116 . 20 2 2 B 21 21 LYS CB C 1108 32.400 32.218 0.182 1 1 2120 . 20 2 2 B 21 21 LYS N N 1108 119.290 122.150 -2.860 1 1 2121 . 20 2 2 B 22 22 ALA H H 1109 7.690 8.087 -0.397 1 1 2122 . 20 2 2 B 22 22 ALA HA H 1109 3.900 4.184 -0.284 1 1 2126 . 20 2 2 B 22 22 ALA C C 1109 178.200 179.680 -1.480 1 1 2127 . 20 2 2 B 22 22 ALA CA C 1109 54.950 55.151 -0.201 1 1 2128 . 20 2 2 B 22 22 ALA CB C 1109 22.000 18.698 3.302 1 1 2129 . 20 2 2 B 22 22 ALA N N 1109 123.910 122.305 1.605 1 1 2130 . 20 2 2 B 23 23 PHE H H 1110 7.920 8.298 -0.378 1 1 2131 . 20 2 2 B 23 23 PHE HA H 1110 4.120 4.259 -0.139 1 1 2139 . 20 2 2 B 23 23 PHE C C 1110 178.840 177.518 1.322 1 1 2140 . 20 2 2 B 23 23 PHE CA C 1110 61.260 60.476 0.784 1 1 2141 . 20 2 2 B 23 23 PHE CB C 1110 40.200 38.772 1.428 1 1 2147 . 20 2 2 B 23 23 PHE N N 1110 118.200 115.702 2.498 1 1 2148 . 20 2 2 B 24 24 HIS H H 1111 7.960 7.600 0.360 1 1 2149 . 20 2 2 B 24 24 HIS HA H 1111 4.530 4.669 -0.139 1 1 2155 . 20 2 2 B 24 24 HIS C C 1111 178.710 174.428 4.282 1 1 2156 . 20 2 2 B 24 24 HIS CA C 1111 57.200 56.094 1.106 1 1 2157 . 20 2 2 B 24 24 HIS CB C 1111 30.200 29.835 0.365 1 1 2160 . 20 2 2 B 24 24 HIS N N 1111 117.760 116.620 1.140 1 1 2162 . 20 2 2 B 25 25 SER H H 1112 7.980 7.896 0.084 1 1 2163 . 20 2 2 B 25 25 SER HA H 1112 4.340 4.091 0.249 1 1 2166 . 20 2 2 B 25 25 SER C C 1112 177.230 174.198 3.032 1 1 2167 . 20 2 2 B 25 25 SER CA C 1112 58.570 58.968 -0.398 1 1 2168 . 20 2 2 B 25 25 SER CB C 1112 63.800 60.810 2.990 1 1 2169 . 20 2 2 B 25 25 SER N N 1112 116.970 113.847 3.123 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 136 2.107 1 2 1 1 1 "RMS(OBS, PRED)" CA 146 0.978 1 3 1 1 1 "RMS(OBS, PRED)" CB 135 0.954 1 4 1 1 1 "RMS(OBS, PRED)" H 144 0.481 1 5 1 1 1 "RMS(OBS, PRED)" HA 157 0.294 1 6 1 1 1 "RMS(OBS, PRED)" N 144 2.500 1 7 1 1 2 "RMS(OBS, PRED)" C 23 1.777 1 8 1 1 2 "RMS(OBS, PRED)" CA 25 1.500 1 9 1 1 2 "RMS(OBS, PRED)" CB 23 1.379 1 10 1 1 2 "RMS(OBS, PRED)" H 25 0.684 1 11 1 1 2 "RMS(OBS, PRED)" HA 27 0.246 1 12 1 1 2 "RMS(OBS, PRED)" N 25 2.414 1 13 1 2 1 "RMS(OBS, PRED)" C 136 2.176 1 14 1 2 1 "RMS(OBS, PRED)" CA 146 1.084 1 15 1 2 1 "RMS(OBS, PRED)" CB 135 1.042 1 16 1 2 1 "RMS(OBS, PRED)" H 144 0.484 1 17 1 2 1 "RMS(OBS, PRED)" HA 157 0.290 1 18 1 2 1 "RMS(OBS, PRED)" N 144 2.395 1 19 1 2 2 "RMS(OBS, PRED)" C 23 1.819 1 20 1 2 2 "RMS(OBS, PRED)" CA 25 1.613 1 21 1 2 2 "RMS(OBS, PRED)" CB 23 1.363 1 22 1 2 2 "RMS(OBS, PRED)" H 25 0.677 1 23 1 2 2 "RMS(OBS, PRED)" HA 27 0.249 1 24 1 2 2 "RMS(OBS, PRED)" N 25 2.779 1 25 1 3 1 "RMS(OBS, PRED)" C 136 2.174 1 26 1 3 1 "RMS(OBS, PRED)" CA 146 0.972 1 27 1 3 1 "RMS(OBS, PRED)" CB 135 0.987 1 28 1 3 1 "RMS(OBS, PRED)" H 144 0.496 1 29 1 3 1 "RMS(OBS, PRED)" HA 157 0.299 1 30 1 3 1 "RMS(OBS, PRED)" N 144 2.429 1 31 1 3 2 "RMS(OBS, PRED)" C 23 1.818 1 32 1 3 2 "RMS(OBS, PRED)" CA 25 1.481 1 33 1 3 2 "RMS(OBS, PRED)" CB 23 1.378 1 34 1 3 2 "RMS(OBS, PRED)" H 25 0.662 1 35 1 3 2 "RMS(OBS, PRED)" HA 27 0.242 1 36 1 3 2 "RMS(OBS, PRED)" N 25 2.281 1 37 1 4 1 "RMS(OBS, PRED)" C 136 2.151 1 38 1 4 1 "RMS(OBS, PRED)" CA 146 0.977 1 39 1 4 1 "RMS(OBS, PRED)" CB 135 1.001 1 40 1 4 1 "RMS(OBS, PRED)" H 144 0.504 1 41 1 4 1 "RMS(OBS, PRED)" HA 157 0.303 1 42 1 4 1 "RMS(OBS, PRED)" N 144 2.392 1 43 1 4 2 "RMS(OBS, PRED)" C 23 1.716 1 44 1 4 2 "RMS(OBS, PRED)" CA 25 1.566 1 45 1 4 2 "RMS(OBS, PRED)" CB 23 1.359 1 46 1 4 2 "RMS(OBS, PRED)" H 25 0.673 1 47 1 4 2 "RMS(OBS, PRED)" HA 27 0.247 1 48 1 4 2 "RMS(OBS, PRED)" N 25 2.336 1 49 1 5 1 "RMS(OBS, PRED)" C 136 2.112 1 50 1 5 1 "RMS(OBS, PRED)" CA 146 1.009 1 51 1 5 1 "RMS(OBS, PRED)" CB 135 1.046 1 52 1 5 1 "RMS(OBS, PRED)" H 144 0.476 1 53 1 5 1 "RMS(OBS, PRED)" HA 157 0.298 1 54 1 5 1 "RMS(OBS, PRED)" N 144 2.485 1 55 1 5 2 "RMS(OBS, PRED)" C 23 1.699 1 56 1 5 2 "RMS(OBS, PRED)" CA 25 1.547 1 57 1 5 2 "RMS(OBS, PRED)" CB 23 1.465 1 58 1 5 2 "RMS(OBS, PRED)" H 25 0.655 1 59 1 5 2 "RMS(OBS, PRED)" HA 27 0.293 1 60 1 5 2 "RMS(OBS, PRED)" N 25 2.066 1 61 1 6 1 "RMS(OBS, PRED)" C 136 2.149 1 62 1 6 1 "RMS(OBS, PRED)" CA 146 0.970 1 63 1 6 1 "RMS(OBS, PRED)" CB 135 1.029 1 64 1 6 1 "RMS(OBS, PRED)" H 144 0.498 1 65 1 6 1 "RMS(OBS, PRED)" HA 157 0.291 1 66 1 6 1 "RMS(OBS, PRED)" N 144 2.479 1 67 1 6 2 "RMS(OBS, PRED)" C 23 1.793 1 68 1 6 2 "RMS(OBS, PRED)" CA 25 1.507 1 69 1 6 2 "RMS(OBS, PRED)" CB 23 1.323 1 70 1 6 2 "RMS(OBS, PRED)" H 25 0.680 1 71 1 6 2 "RMS(OBS, PRED)" HA 27 0.239 1 72 1 6 2 "RMS(OBS, PRED)" N 25 1.597 1 73 1 7 1 "RMS(OBS, PRED)" C 136 2.177 1 74 1 7 1 "RMS(OBS, PRED)" CA 146 0.987 1 75 1 7 1 "RMS(OBS, PRED)" CB 135 1.019 1 76 1 7 1 "RMS(OBS, PRED)" H 144 0.484 1 77 1 7 1 "RMS(OBS, PRED)" HA 157 0.305 1 78 1 7 1 "RMS(OBS, PRED)" N 144 2.423 1 79 1 7 2 "RMS(OBS, PRED)" C 23 1.899 1 80 1 7 2 "RMS(OBS, PRED)" CA 25 1.374 1 81 1 7 2 "RMS(OBS, PRED)" CB 23 1.442 1 82 1 7 2 "RMS(OBS, PRED)" H 25 0.665 1 83 1 7 2 "RMS(OBS, PRED)" HA 27 0.235 1 84 1 7 2 "RMS(OBS, PRED)" N 25 1.937 1 85 1 8 1 "RMS(OBS, PRED)" C 136 2.106 1 86 1 8 1 "RMS(OBS, PRED)" CA 146 1.018 1 87 1 8 1 "RMS(OBS, PRED)" CB 135 1.007 1 88 1 8 1 "RMS(OBS, PRED)" H 144 0.484 1 89 1 8 1 "RMS(OBS, PRED)" HA 157 0.329 1 90 1 8 1 "RMS(OBS, PRED)" N 144 2.477 1 91 1 8 2 "RMS(OBS, PRED)" C 23 1.816 1 92 1 8 2 "RMS(OBS, PRED)" CA 25 1.694 1 93 1 8 2 "RMS(OBS, PRED)" CB 23 1.351 1 94 1 8 2 "RMS(OBS, PRED)" H 25 0.623 1 95 1 8 2 "RMS(OBS, PRED)" HA 27 0.261 1 96 1 8 2 "RMS(OBS, PRED)" N 25 2.996 1 97 1 9 1 "RMS(OBS, PRED)" C 136 2.133 1 98 1 9 1 "RMS(OBS, PRED)" CA 146 0.978 1 99 1 9 1 "RMS(OBS, PRED)" CB 135 1.044 1 100 1 9 1 "RMS(OBS, PRED)" H 144 0.476 1 101 1 9 1 "RMS(OBS, PRED)" HA 157 0.302 1 102 1 9 1 "RMS(OBS, PRED)" N 144 2.435 1 103 1 9 2 "RMS(OBS, PRED)" C 23 1.759 1 104 1 9 2 "RMS(OBS, PRED)" CA 25 1.735 1 105 1 9 2 "RMS(OBS, PRED)" CB 23 1.386 1 106 1 9 2 "RMS(OBS, PRED)" H 25 0.610 1 107 1 9 2 "RMS(OBS, PRED)" HA 27 0.281 1 108 1 9 2 "RMS(OBS, PRED)" N 25 2.798 1 109 1 10 1 "RMS(OBS, PRED)" C 136 2.142 1 110 1 10 1 "RMS(OBS, PRED)" CA 146 1.034 1 111 1 10 1 "RMS(OBS, PRED)" CB 135 1.025 1 112 1 10 1 "RMS(OBS, PRED)" H 144 0.495 1 113 1 10 1 "RMS(OBS, PRED)" HA 157 0.301 1 114 1 10 1 "RMS(OBS, PRED)" N 144 2.464 1 115 1 10 2 "RMS(OBS, PRED)" C 23 1.763 1 116 1 10 2 "RMS(OBS, PRED)" CA 25 1.483 1 117 1 10 2 "RMS(OBS, PRED)" CB 23 1.436 1 118 1 10 2 "RMS(OBS, PRED)" H 25 0.688 1 119 1 10 2 "RMS(OBS, PRED)" HA 27 0.235 1 120 1 10 2 "RMS(OBS, PRED)" N 25 2.760 1 121 1 11 1 "RMS(OBS, PRED)" C 136 2.151 1 122 1 11 1 "RMS(OBS, PRED)" CA 146 1.031 1 123 1 11 1 "RMS(OBS, PRED)" CB 135 0.995 1 124 1 11 1 "RMS(OBS, PRED)" H 144 0.495 1 125 1 11 1 "RMS(OBS, PRED)" HA 157 0.297 1 126 1 11 1 "RMS(OBS, PRED)" N 144 2.567 1 127 1 11 2 "RMS(OBS, PRED)" C 23 1.744 1 128 1 11 2 "RMS(OBS, PRED)" CA 25 1.467 1 129 1 11 2 "RMS(OBS, PRED)" CB 23 1.335 1 130 1 11 2 "RMS(OBS, PRED)" H 25 0.619 1 131 1 11 2 "RMS(OBS, PRED)" HA 27 0.254 1 132 1 11 2 "RMS(OBS, PRED)" N 25 1.988 1 133 1 12 1 "RMS(OBS, PRED)" C 136 2.127 1 134 1 12 1 "RMS(OBS, PRED)" CA 146 1.018 1 135 1 12 1 "RMS(OBS, PRED)" CB 135 1.000 1 136 1 12 1 "RMS(OBS, PRED)" H 144 0.487 1 137 1 12 1 "RMS(OBS, PRED)" HA 157 0.301 1 138 1 12 1 "RMS(OBS, PRED)" N 144 2.480 1 139 1 12 2 "RMS(OBS, PRED)" C 23 1.804 1 140 1 12 2 "RMS(OBS, PRED)" CA 25 1.428 1 141 1 12 2 "RMS(OBS, PRED)" CB 23 1.352 1 142 1 12 2 "RMS(OBS, PRED)" H 25 0.642 1 143 1 12 2 "RMS(OBS, PRED)" HA 27 0.256 1 144 1 12 2 "RMS(OBS, PRED)" N 25 1.904 1 145 1 13 1 "RMS(OBS, PRED)" C 136 2.154 1 146 1 13 1 "RMS(OBS, PRED)" CA 146 1.000 1 147 1 13 1 "RMS(OBS, PRED)" CB 135 1.031 1 148 1 13 1 "RMS(OBS, PRED)" H 144 0.473 1 149 1 13 1 "RMS(OBS, PRED)" HA 157 0.304 1 150 1 13 1 "RMS(OBS, PRED)" N 144 2.428 1 151 1 13 2 "RMS(OBS, PRED)" C 23 1.652 1 152 1 13 2 "RMS(OBS, PRED)" CA 25 1.292 1 153 1 13 2 "RMS(OBS, PRED)" CB 23 1.342 1 154 1 13 2 "RMS(OBS, PRED)" H 25 0.494 1 155 1 13 2 "RMS(OBS, PRED)" HA 27 0.249 1 156 1 13 2 "RMS(OBS, PRED)" N 25 2.020 1 157 1 14 1 "RMS(OBS, PRED)" C 136 2.108 1 158 1 14 1 "RMS(OBS, PRED)" CA 146 0.971 1 159 1 14 1 "RMS(OBS, PRED)" CB 135 1.037 1 160 1 14 1 "RMS(OBS, PRED)" H 144 0.490 1 161 1 14 1 "RMS(OBS, PRED)" HA 157 0.310 1 162 1 14 1 "RMS(OBS, PRED)" N 144 2.580 1 163 1 14 2 "RMS(OBS, PRED)" C 23 1.804 1 164 1 14 2 "RMS(OBS, PRED)" CA 25 1.402 1 165 1 14 2 "RMS(OBS, PRED)" CB 23 1.339 1 166 1 14 2 "RMS(OBS, PRED)" H 25 0.688 1 167 1 14 2 "RMS(OBS, PRED)" HA 27 0.254 1 168 1 14 2 "RMS(OBS, PRED)" N 25 2.017 1 169 1 15 1 "RMS(OBS, PRED)" C 136 2.096 1 170 1 15 1 "RMS(OBS, PRED)" CA 146 0.997 1 171 1 15 1 "RMS(OBS, PRED)" CB 135 1.012 1 172 1 15 1 "RMS(OBS, PRED)" H 144 0.499 1 173 1 15 1 "RMS(OBS, PRED)" HA 157 0.306 1 174 1 15 1 "RMS(OBS, PRED)" N 144 2.556 1 175 1 15 2 "RMS(OBS, PRED)" C 23 1.812 1 176 1 15 2 "RMS(OBS, PRED)" CA 25 1.624 1 177 1 15 2 "RMS(OBS, PRED)" CB 23 1.370 1 178 1 15 2 "RMS(OBS, PRED)" H 25 0.654 1 179 1 15 2 "RMS(OBS, PRED)" HA 27 0.306 1 180 1 15 2 "RMS(OBS, PRED)" N 25 2.290 1 181 1 16 1 "RMS(OBS, PRED)" C 136 2.149 1 182 1 16 1 "RMS(OBS, PRED)" CA 146 0.963 1 183 1 16 1 "RMS(OBS, PRED)" CB 135 0.975 1 184 1 16 1 "RMS(OBS, PRED)" H 144 0.480 1 185 1 16 1 "RMS(OBS, PRED)" HA 157 0.318 1 186 1 16 1 "RMS(OBS, PRED)" N 144 2.512 1 187 1 16 2 "RMS(OBS, PRED)" C 23 1.807 1 188 1 16 2 "RMS(OBS, PRED)" CA 25 1.475 1 189 1 16 2 "RMS(OBS, PRED)" CB 23 1.302 1 190 1 16 2 "RMS(OBS, PRED)" H 25 0.617 1 191 1 16 2 "RMS(OBS, PRED)" HA 27 0.256 1 192 1 16 2 "RMS(OBS, PRED)" N 25 1.825 1 193 1 17 1 "RMS(OBS, PRED)" C 136 2.140 1 194 1 17 1 "RMS(OBS, PRED)" CA 146 1.005 1 195 1 17 1 "RMS(OBS, PRED)" CB 135 1.063 1 196 1 17 1 "RMS(OBS, PRED)" H 144 0.485 1 197 1 17 1 "RMS(OBS, PRED)" HA 157 0.291 1 198 1 17 1 "RMS(OBS, PRED)" N 144 2.547 1 199 1 17 2 "RMS(OBS, PRED)" C 23 1.809 1 200 1 17 2 "RMS(OBS, PRED)" CA 25 1.485 1 201 1 17 2 "RMS(OBS, PRED)" CB 23 1.320 1 202 1 17 2 "RMS(OBS, PRED)" H 25 0.671 1 203 1 17 2 "RMS(OBS, PRED)" HA 27 0.248 1 204 1 17 2 "RMS(OBS, PRED)" N 25 2.518 1 205 1 18 1 "RMS(OBS, PRED)" C 136 2.182 1 206 1 18 1 "RMS(OBS, PRED)" CA 146 1.007 1 207 1 18 1 "RMS(OBS, PRED)" CB 135 1.061 1 208 1 18 1 "RMS(OBS, PRED)" H 144 0.481 1 209 1 18 1 "RMS(OBS, PRED)" HA 157 0.309 1 210 1 18 1 "RMS(OBS, PRED)" N 144 2.564 1 211 1 18 2 "RMS(OBS, PRED)" C 23 1.693 1 212 1 18 2 "RMS(OBS, PRED)" CA 25 1.508 1 213 1 18 2 "RMS(OBS, PRED)" CB 23 1.444 1 214 1 18 2 "RMS(OBS, PRED)" H 25 0.663 1 215 1 18 2 "RMS(OBS, PRED)" HA 27 0.245 1 216 1 18 2 "RMS(OBS, PRED)" N 25 2.107 1 217 1 19 1 "RMS(OBS, PRED)" C 136 2.155 1 218 1 19 1 "RMS(OBS, PRED)" CA 146 1.063 1 219 1 19 1 "RMS(OBS, PRED)" CB 135 1.051 1 220 1 19 1 "RMS(OBS, PRED)" H 144 0.494 1 221 1 19 1 "RMS(OBS, PRED)" HA 157 0.315 1 222 1 19 1 "RMS(OBS, PRED)" N 144 2.518 1 223 1 19 2 "RMS(OBS, PRED)" C 23 1.862 1 224 1 19 2 "RMS(OBS, PRED)" CA 25 1.414 1 225 1 19 2 "RMS(OBS, PRED)" CB 23 1.342 1 226 1 19 2 "RMS(OBS, PRED)" H 25 0.660 1 227 1 19 2 "RMS(OBS, PRED)" HA 27 0.255 1 228 1 19 2 "RMS(OBS, PRED)" N 25 1.896 1 229 1 20 1 "RMS(OBS, PRED)" C 136 2.151 1 230 1 20 1 "RMS(OBS, PRED)" CA 146 1.067 1 231 1 20 1 "RMS(OBS, PRED)" CB 135 1.024 1 232 1 20 1 "RMS(OBS, PRED)" H 144 0.496 1 233 1 20 1 "RMS(OBS, PRED)" HA 157 0.301 1 234 1 20 1 "RMS(OBS, PRED)" N 144 2.458 1 235 1 20 2 "RMS(OBS, PRED)" C 23 1.883 1 236 1 20 2 "RMS(OBS, PRED)" CA 25 1.677 1 237 1 20 2 "RMS(OBS, PRED)" CB 23 1.516 1 238 1 20 2 "RMS(OBS, PRED)" H 25 0.582 1 239 1 20 2 "RMS(OBS, PRED)" HA 27 0.310 1 240 1 20 2 "RMS(OBS, PRED)" N 25 2.203 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 10 . 1 1 A 2 2 ASP HA H 2 4.500 4.472 0.028 2 1 14 . 1 1 A 2 2 ASP CB C 2 41.350 40.680 0.670 2 1 95 . 1 1 A 9 9 ILE HA H 9 3.580 3.774 -0.194 2 1 107 . 1 1 A 9 9 ILE CB C 9 38.100 37.931 0.169 2 1 127 . 1 1 A 11 11 GLU C C 11 177.860 179.414 -1.554 2 1 283 . 1 1 A 23 23 GLY HA2 H 23 3.730 3.873 -0.143 2 1 284 . 1 1 A 23 23 GLY HA3 H 23 3.730 3.877 -0.147 2 1 297 . 1 1 A 25 25 GLY HA2 H 25 4.240 3.979 0.261 2 1 298 . 1 1 A 25 25 GLY HA3 H 25 3.610 3.997 -0.387 2 1 302 . 1 1 A 26 26 THR H H 26 8.060 7.980 0.080 2 1 303 . 1 1 A 26 26 THR HA H 26 5.430 4.996 0.434 2 1 308 . 1 1 A 26 26 THR C C 26 177.260 173.211 4.049 2 1 309 . 1 1 A 26 26 THR CA C 26 59.500 58.973 0.527 2 1 310 . 1 1 A 26 26 THR CB C 26 72.800 72.972 -0.172 2 1 312 . 1 1 A 26 26 THR N N 26 110.950 110.304 0.646 2 1 313 . 1 1 A 27 27 ILE H H 27 9.890 8.605 1.285 2 1 314 . 1 1 A 27 27 ILE HA H 27 4.680 4.982 -0.302 2 1 324 . 1 1 A 27 27 ILE C C 27 173.810 175.618 -1.808 2 1 325 . 1 1 A 27 27 ILE CA C 27 61.250 60.599 0.651 2 1 326 . 1 1 A 27 27 ILE CB C 27 40.700 38.494 2.206 2 1 330 . 1 1 A 27 27 ILE N N 27 125.400 124.499 0.901 2 1 331 . 1 1 A 28 28 THR H H 28 8.290 8.741 -0.451 2 1 332 . 1 1 A 28 28 THR HA H 28 4.680 4.920 -0.240 2 1 337 . 1 1 A 28 28 THR C C 28 173.550 176.166 -2.616 2 1 338 . 1 1 A 28 28 THR CA C 28 59.200 59.463 -0.263 2 1 339 . 1 1 A 28 28 THR CB C 28 72.600 71.969 0.631 2 1 341 . 1 1 A 28 28 THR N N 28 116.000 118.080 -2.080 2 1 342 . 1 1 A 29 29 THR H H 29 9.180 8.864 0.316 2 1 343 . 1 1 A 29 29 THR HA H 29 3.570 3.887 -0.317 2 1 348 . 1 1 A 29 29 THR C C 29 176.080 176.650 -0.570 2 1 349 . 1 1 A 29 29 THR CA C 29 66.100 66.605 -0.505 2 1 350 . 1 1 A 29 29 THR CB C 29 67.650 68.296 -0.646 2 1 352 . 1 1 A 29 29 THR N N 29 111.440 114.990 -3.550 2 1 353 . 1 1 A 30 30 LYS H H 30 7.340 8.099 -0.759 2 1 354 . 1 1 A 30 30 LYS HA H 30 3.960 3.941 0.019 2 1 363 . 1 1 A 30 30 LYS C C 30 176.660 179.186 -2.526 2 1 364 . 1 1 A 30 30 LYS CA C 30 59.100 59.775 -0.675 2 1 365 . 1 1 A 30 30 LYS CB C 30 32.700 32.257 0.443 2 1 369 . 1 1 A 30 30 LYS N N 30 120.350 122.035 -1.685 2 1 370 . 1 1 A 31 31 GLU H H 31 7.760 8.323 -0.563 2 1 371 . 1 1 A 31 31 GLU HA H 31 4.000 4.116 -0.116 2 1 376 . 1 1 A 31 31 GLU C C 31 177.230 179.014 -1.784 2 1 377 . 1 1 A 31 31 GLU CA C 31 59.600 58.964 0.636 2 1 378 . 1 1 A 31 31 GLU CB C 31 29.600 28.434 1.166 2 1 380 . 1 1 A 31 31 GLU N N 31 122.300 117.821 4.479 2 1 381 . 1 1 A 32 32 LEU H H 32 8.370 8.172 0.198 2 1 382 . 1 1 A 32 32 LEU HA H 32 4.060 3.871 0.189 2 1 392 . 1 1 A 32 32 LEU C C 32 179.400 178.661 0.739 2 1 393 . 1 1 A 32 32 LEU CA C 32 57.550 57.897 -0.346 2 1 394 . 1 1 A 32 32 LEU CB C 32 41.700 41.967 -0.267 2 1 398 . 1 1 A 32 32 LEU N N 32 120.100 123.070 -2.970 2 1 399 . 1 1 A 33 33 GLY H H 33 8.650 8.017 0.633 2 1 400 . 1 1 A 33 33 GLY HA2 H 33 3.450 3.820 -0.370 2 1 401 . 1 1 A 33 33 GLY HA3 H 33 3.800 3.821 -0.021 2 1 402 . 1 1 A 33 33 GLY C C 33 179.640 176.202 3.438 2 1 403 . 1 1 A 33 33 GLY CA C 33 48.300 47.717 0.583 2 1 404 . 1 1 A 33 33 GLY N N 33 105.700 106.149 -0.449 2 1 405 . 1 1 A 34 34 THR H H 34 8.070 7.848 0.222 2 1 406 . 1 1 A 34 34 THR HA H 34 3.790 4.017 -0.227 2 1 411 . 1 1 A 34 34 THR C C 34 178.670 176.051 2.619 2 1 412 . 1 1 A 34 34 THR CA C 34 67.300 67.007 0.293 2 1 413 . 1 1 A 34 34 THR CB C 34 68.700 68.630 0.070 2 1 415 . 1 1 A 34 34 THR N N 34 118.140 118.696 -0.556 2 1 416 . 1 1 A 35 35 VAL H H 35 7.510 7.755 -0.245 2 1 417 . 1 1 A 35 35 VAL HA H 35 3.480 3.569 -0.089 2 1 425 . 1 1 A 35 35 VAL C C 35 175.050 177.658 -2.608 2 1 426 . 1 1 A 35 35 VAL CA C 35 66.500 66.760 -0.260 2 1 427 . 1 1 A 35 35 VAL CB C 35 31.400 31.335 0.065 2 1 430 . 1 1 A 35 35 VAL N N 35 121.400 121.906 -0.506 2 1 431 . 1 1 A 36 36 MET H H 36 8.530 7.958 0.572 2 1 432 . 1 1 A 36 36 MET HA H 36 3.590 4.104 -0.514 2 1 440 . 1 1 A 36 36 MET C C 36 177.410 177.930 -0.520 2 1 441 . 1 1 A 36 36 MET CA C 36 61.900 58.567 3.333 2 1 442 . 1 1 A 36 36 MET CB C 36 32.600 31.229 1.371 2 1 445 . 1 1 A 36 36 MET N N 36 118.970 118.104 0.866 2 1 446 . 1 1 A 37 37 ARG H H 37 8.600 8.297 0.303 2 1 447 . 1 1 A 37 37 ARG HA H 37 4.720 4.128 0.592 2 1 454 . 1 1 A 37 37 ARG C C 37 179.250 178.804 0.446 2 1 455 . 1 1 A 37 37 ARG CA C 37 59.450 59.423 0.027 2 1 456 . 1 1 A 37 37 ARG CB C 37 30.200 30.108 0.092 2 1 459 . 1 1 A 37 37 ARG N N 37 118.400 120.295 -1.895 2 1 460 . 1 1 A 38 38 SER H H 38 7.830 7.911 -0.081 2 1 461 . 1 1 A 38 38 SER HA H 38 4.240 4.336 -0.096 2 1 464 . 1 1 A 38 38 SER C C 38 178.480 176.415 2.065 2 1 465 . 1 1 A 38 38 SER CA C 38 62.100 61.115 0.985 2 1 466 . 1 1 A 38 38 SER CB C 38 63.400 62.964 0.436 2 1 467 . 1 1 A 38 38 SER N N 38 119.400 114.999 4.401 2 1 468 . 1 1 A 39 39 LEU H H 39 7.280 8.260 -0.980 2 1 469 . 1 1 A 39 39 LEU HA H 39 4.360 4.401 -0.041 2 1 479 . 1 1 A 39 39 LEU C C 39 178.240 176.872 1.368 2 1 480 . 1 1 A 39 39 LEU CA C 39 54.300 55.386 -1.087 2 1 481 . 1 1 A 39 39 LEU CB C 39 42.100 42.571 -0.471 2 1 485 . 1 1 A 39 39 LEU N N 39 119.950 121.767 -1.817 2 1 486 . 1 1 A 40 40 GLY H H 40 7.740 8.413 -0.673 2 1 487 . 1 1 A 40 40 GLY HA2 H 40 4.140 3.914 0.226 2 1 488 . 1 1 A 40 40 GLY HA3 H 40 3.650 3.922 -0.272 2 1 489 . 1 1 A 40 40 GLY C C 40 176.140 173.765 2.375 2 1 490 . 1 1 A 40 40 GLY CA C 40 45.300 45.748 -0.448 2 1 491 . 1 1 A 40 40 GLY N N 40 105.750 107.835 -2.085 2 1 492 . 1 1 A 41 41 GLN H H 41 7.710 7.815 -0.105 2 1 493 . 1 1 A 41 41 GLN HA H 41 4.360 4.773 -0.413 2 1 500 . 1 1 A 41 41 GLN C C 41 176.700 174.492 2.208 2 1 501 . 1 1 A 41 41 GLN CA C 41 54.900 54.022 0.878 2 1 502 . 1 1 A 41 41 GLN CB C 41 29.600 31.626 -2.026 2 1 504 . 1 1 A 41 41 GLN N N 41 118.400 119.181 -0.781 2 1 506 . 1 1 A 42 42 ASN H H 42 8.640 8.808 -0.168 2 1 507 . 1 1 A 42 42 ASN HA H 42 5.150 5.389 -0.239 2 1 512 . 1 1 A 42 42 ASN CA C 42 51.200 50.583 0.617 2 1 513 . 1 1 A 42 42 ASN CB C 42 39.500 38.990 0.510 2 1 514 . 1 1 A 42 42 ASN N N 42 115.610 119.581 -3.971 2 1 516 . 1 1 A 43 43 PRO HA H 43 4.540 4.574 -0.034 2 1 523 . 1 1 A 43 43 PRO C C 43 179.440 176.762 2.678 2 1 524 . 1 1 A 43 43 PRO CA C 43 62.450 62.879 -0.429 2 1 525 . 1 1 A 43 43 PRO CB C 43 31.500 31.907 -0.407 2 1 528 . 1 1 A 44 44 THR H H 44 8.660 8.264 0.396 2 1 529 . 1 1 A 44 44 THR HA H 44 4.340 4.525 -0.185 2 1 534 . 1 1 A 44 44 THR CA C 44 60.450 60.985 -0.535 2 1 535 . 1 1 A 44 44 THR CB C 44 71.400 70.455 0.945 2 1 537 . 1 1 A 44 44 THR N N 44 112.600 114.740 -2.140 2 1 538 . 1 1 A 45 45 GLU H H 45 8.720 9.056 -0.336 2 1 539 . 1 1 A 45 45 GLU HA H 45 3.870 3.981 -0.111 2 1 544 . 1 1 A 45 45 GLU C C 45 174.270 178.396 -4.126 2 1 545 . 1 1 A 45 45 GLU CA C 45 59.900 59.554 0.346 2 1 546 . 1 1 A 45 45 GLU CB C 45 29.200 29.220 -0.020 2 1 548 . 1 1 A 45 45 GLU N N 45 120.150 123.231 -3.081 2 1 549 . 1 1 A 46 46 ALA H H 46 8.200 8.310 -0.110 2 1 550 . 1 1 A 46 46 ALA HA H 46 3.980 4.037 -0.057 2 1 554 . 1 1 A 46 46 ALA C C 46 175.180 179.981 -4.801 2 1 555 . 1 1 A 46 46 ALA CA C 46 55.100 54.876 0.224 2 1 556 . 1 1 A 46 46 ALA CB C 46 18.300 18.252 0.048 2 1 557 . 1 1 A 46 46 ALA N N 46 120.450 121.745 -1.295 2 1 558 . 1 1 A 47 47 GLU H H 47 7.630 7.835 -0.205 2 1 559 . 1 1 A 47 47 GLU HA H 47 3.890 4.125 -0.234 2 1 564 . 1 1 A 47 47 GLU C C 47 179.020 179.006 0.014 2 1 565 . 1 1 A 47 47 GLU CA C 47 59.500 58.801 0.699 2 1 566 . 1 1 A 47 47 GLU CB C 47 29.600 29.373 0.227 2 1 568 . 1 1 A 47 47 GLU N N 47 118.320 118.493 -0.173 2 1 569 . 1 1 A 48 48 LEU H H 48 7.880 8.207 -0.327 2 1 570 . 1 1 A 48 48 LEU HA H 48 3.790 3.966 -0.176 2 1 580 . 1 1 A 48 48 LEU C C 48 180.200 179.749 0.451 2 1 581 . 1 1 A 48 48 LEU CA C 48 58.150 57.912 0.238 2 1 582 . 1 1 A 48 48 LEU CB C 48 42.800 41.702 1.098 2 1 586 . 1 1 A 48 48 LEU N N 48 119.000 120.126 -1.126 2 1 587 . 1 1 A 49 49 GLN H H 49 8.080 8.079 0.001 2 1 588 . 1 1 A 49 49 GLN HA H 49 3.630 4.010 -0.380 2 1 595 . 1 1 A 49 49 GLN C C 49 177.680 177.865 -0.185 2 1 596 . 1 1 A 49 49 GLN CA C 49 58.600 58.936 -0.336 2 1 597 . 1 1 A 49 49 GLN CB C 49 28.500 28.562 -0.062 2 1 599 . 1 1 A 49 49 GLN N N 49 117.400 118.806 -1.406 2 1 601 . 1 1 A 50 50 ASP H H 50 7.960 8.201 -0.241 2 1 602 . 1 1 A 50 50 ASP HA H 50 4.300 4.320 -0.020 2 1 605 . 1 1 A 50 50 ASP C C 50 178.470 178.785 -0.315 2 1 606 . 1 1 A 50 50 ASP CA C 50 57.700 57.733 -0.033 2 1 607 . 1 1 A 50 50 ASP CB C 50 40.600 41.250 -0.650 2 1 608 . 1 1 A 50 50 ASP N N 50 119.050 119.804 -0.754 2 1 609 . 1 1 A 51 51 MET H H 51 7.750 8.275 -0.525 2 1 610 . 1 1 A 51 51 MET HA H 51 4.000 4.185 -0.185 2 1 618 . 1 1 A 51 51 MET C C 51 178.170 178.746 -0.576 2 1 619 . 1 1 A 51 51 MET CA C 51 59.500 58.520 0.980 2 1 620 . 1 1 A 51 51 MET CB C 51 34.700 32.981 1.719 2 1 623 . 1 1 A 51 51 MET N N 51 117.900 118.026 -0.126 2 1 624 . 1 1 A 52 52 ILE H H 52 7.580 7.905 -0.325 2 1 625 . 1 1 A 52 52 ILE HA H 52 3.620 3.517 0.103 2 1 635 . 1 1 A 52 52 ILE C C 52 178.690 177.835 0.855 2 1 636 . 1 1 A 52 52 ILE CA C 52 63.600 65.322 -1.722 2 1 637 . 1 1 A 52 52 ILE CB C 52 36.700 37.836 -1.136 2 1 641 . 1 1 A 52 52 ILE N N 52 116.850 119.192 -2.342 2 1 642 . 1 1 A 53 53 ASN H H 53 8.570 8.431 0.139 2 1 643 . 1 1 A 53 53 ASN HA H 53 4.310 4.428 -0.118 2 1 648 . 1 1 A 53 53 ASN CA C 53 56.400 56.475 -0.075 2 1 649 . 1 1 A 53 53 ASN CB C 53 38.300 37.949 0.351 2 1 650 . 1 1 A 53 53 ASN N N 53 116.900 118.195 -1.295 2 1 652 . 1 1 A 54 54 GLU H H 54 7.520 7.777 -0.257 2 1 653 . 1 1 A 54 54 GLU HA H 54 3.950 4.099 -0.149 2 1 658 . 1 1 A 54 54 GLU C C 54 178.070 178.587 -0.517 2 1 659 . 1 1 A 54 54 GLU CA C 54 59.000 59.014 -0.014 2 1 660 . 1 1 A 54 54 GLU CB C 54 29.800 29.464 0.336 2 1 662 . 1 1 A 54 54 GLU N N 54 115.650 119.875 -4.225 2 1 663 . 1 1 A 55 55 VAL H H 55 7.020 7.190 -0.170 2 1 664 . 1 1 A 55 55 VAL HA H 55 4.110 4.014 0.096 2 1 672 . 1 1 A 55 55 VAL C C 55 177.890 176.352 1.538 2 1 673 . 1 1 A 55 55 VAL CA C 55 61.210 64.601 -3.391 2 1 674 . 1 1 A 55 55 VAL CB C 55 33.100 32.072 1.028 2 1 677 . 1 1 A 55 55 VAL N N 55 111.500 118.826 -7.326 2 1 678 . 1 1 A 56 56 ASP H H 56 7.460 7.894 -0.434 2 1 679 . 1 1 A 56 56 ASP HA H 56 4.360 4.645 -0.285 2 1 682 . 1 1 A 56 56 ASP C C 56 177.620 176.663 0.957 2 1 683 . 1 1 A 56 56 ASP CA C 56 53.550 53.564 -0.014 2 1 684 . 1 1 A 56 56 ASP CB C 56 40.600 40.354 0.246 2 1 685 . 1 1 A 56 56 ASP N N 56 121.330 121.758 -0.428 2 1 686 . 1 1 A 57 57 ALA H H 57 7.780 8.249 -0.469 2 1 687 . 1 1 A 57 57 ALA HA H 57 4.080 4.065 0.015 2 1 691 . 1 1 A 57 57 ALA C C 57 175.320 178.343 -3.023 2 1 692 . 1 1 A 57 57 ALA CA C 57 55.000 55.091 -0.091 2 1 693 . 1 1 A 57 57 ALA CB C 57 19.800 18.541 1.259 2 1 694 . 1 1 A 57 57 ALA N N 57 130.400 128.144 2.256 2 1 695 . 1 1 A 58 58 ASP H H 58 8.140 8.084 0.056 2 1 696 . 1 1 A 58 58 ASP HA H 58 4.540 4.576 -0.036 2 1 699 . 1 1 A 58 58 ASP C C 58 176.130 177.512 -1.382 2 1 700 . 1 1 A 58 58 ASP CA C 58 52.950 53.216 -0.266 2 1 701 . 1 1 A 58 58 ASP CB C 58 40.100 40.016 0.084 2 1 702 . 1 1 A 58 58 ASP N N 58 113.200 113.163 0.037 2 1 703 . 1 1 A 59 59 GLY H H 59 7.530 7.678 -0.148 2 1 704 . 1 1 A 59 59 GLY HA2 H 59 3.700 3.917 -0.217 2 1 705 . 1 1 A 59 59 GLY HA3 H 59 3.820 3.918 -0.098 2 1 706 . 1 1 A 59 59 GLY C C 59 178.830 175.283 3.547 2 1 707 . 1 1 A 59 59 GLY CA C 59 47.450 46.967 0.483 2 1 708 . 1 1 A 59 59 GLY N N 59 108.180 109.275 -1.095 2 1 709 . 1 1 A 60 60 ASN H H 60 8.080 8.611 -0.531 2 1 710 . 1 1 A 60 60 ASN HA H 60 4.500 4.683 -0.183 2 1 715 . 1 1 A 60 60 ASN CA C 60 52.900 52.607 0.293 2 1 716 . 1 1 A 60 60 ASN CB C 60 37.900 37.865 0.035 2 1 717 . 1 1 A 60 60 ASN N N 60 118.700 118.560 0.140 2 1 719 . 1 1 A 61 61 GLY H H 61 10.640 10.201 0.439 2 1 720 . 1 1 A 61 61 GLY HA2 H 61 3.370 3.885 -0.515 2 1 721 . 1 1 A 61 61 GLY HA3 H 61 4.190 3.888 0.302 2 1 722 . 1 1 A 61 61 GLY C C 61 174.970 173.444 1.526 2 1 723 . 1 1 A 61 61 GLY CA C 61 45.300 45.388 -0.088 2 1 724 . 1 1 A 61 61 GLY N N 61 113.400 111.955 1.445 2 1 725 . 1 1 A 62 62 THR H H 62 7.550 7.771 -0.221 2 1 726 . 1 1 A 62 62 THR HA H 62 4.620 4.943 -0.323 2 1 731 . 1 1 A 62 62 THR C C 62 176.870 172.672 4.198 2 1 732 . 1 1 A 62 62 THR CA C 62 59.550 59.685 -0.135 2 1 733 . 1 1 A 62 62 THR CB C 62 72.500 72.633 -0.133 2 1 735 . 1 1 A 62 62 THR N N 62 107.860 109.823 -1.963 2 1 736 . 1 1 A 63 63 ILE H H 63 8.790 8.497 0.293 2 1 737 . 1 1 A 63 63 ILE HA H 63 5.280 5.012 0.268 2 1 747 . 1 1 A 63 63 ILE C C 63 173.250 175.116 -1.866 2 1 748 . 1 1 A 63 63 ILE CA C 63 57.600 59.887 -2.287 2 1 749 . 1 1 A 63 63 ILE CB C 63 39.400 39.726 -0.326 2 1 753 . 1 1 A 63 63 ILE N N 63 123.900 121.473 2.427 2 1 754 . 1 1 A 64 64 ASP H H 64 8.720 8.847 -0.127 2 1 755 . 1 1 A 64 64 ASP HA H 64 5.350 5.050 0.300 2 1 758 . 1 1 A 64 64 ASP C C 64 172.850 177.253 -4.403 2 1 759 . 1 1 A 64 64 ASP CA C 64 52.100 52.434 -0.334 2 1 760 . 1 1 A 64 64 ASP CB C 64 42.150 42.851 -0.701 2 1 761 . 1 1 A 64 64 ASP N N 64 127.860 127.677 0.183 2 1 762 . 1 1 A 65 65 PHE H H 65 8.840 9.198 -0.358 2 1 763 . 1 1 A 65 65 PHE HA H 65 3.890 4.849 -0.959 2 1 771 . 1 1 A 65 65 PHE C C 65 175.750 174.684 1.066 2 1 772 . 1 1 A 65 65 PHE CA C 65 63.300 63.712 -0.412 2 1 773 . 1 1 A 65 65 PHE CB C 65 36.100 37.441 -1.341 2 1 779 . 1 1 A 65 65 PHE N N 65 117.500 122.346 -4.846 2 1 780 . 1 1 A 66 66 PRO HA H 66 3.770 4.364 -0.594 2 1 787 . 1 1 A 66 66 PRO C C 66 175.840 179.457 -3.617 2 1 788 . 1 1 A 66 66 PRO CA C 66 67.100 66.463 0.637 2 1 789 . 1 1 A 66 66 PRO CB C 66 30.700 30.866 -0.166 2 1 792 . 1 1 A 67 67 GLU H H 67 8.340 8.712 -0.372 2 1 793 . 1 1 A 67 67 GLU HA H 67 3.920 4.135 -0.215 2 1 798 . 1 1 A 67 67 GLU CA C 67 59.400 59.179 0.221 2 1 799 . 1 1 A 67 67 GLU CB C 67 29.650 29.181 0.469 2 1 801 . 1 1 A 67 67 GLU N N 67 117.850 117.911 -0.061 2 1 802 . 1 1 A 68 68 PHE H H 68 8.630 8.387 0.243 2 1 803 . 1 1 A 68 68 PHE HA H 68 3.670 4.172 -0.502 2 1 811 . 1 1 A 68 68 PHE C C 68 174.810 177.494 -2.684 2 1 812 . 1 1 A 68 68 PHE CA C 68 61.400 61.324 0.076 2 1 813 . 1 1 A 68 68 PHE CB C 68 40.700 39.294 1.406 2 1 819 . 1 1 A 68 68 PHE N N 68 123.200 123.368 -0.168 2 1 820 . 1 1 A 69 69 LEU H H 69 8.800 8.737 0.063 2 1 821 . 1 1 A 69 69 LEU HA H 69 3.130 4.011 -0.881 2 1 831 . 1 1 A 69 69 LEU C C 69 179.310 179.029 0.281 2 1 832 . 1 1 A 69 69 LEU CA C 69 58.000 58.283 -0.283 2 1 833 . 1 1 A 69 69 LEU CB C 69 41.550 41.800 -0.250 2 1 837 . 1 1 A 69 69 LEU N N 69 119.930 120.116 -0.186 2 1 838 . 1 1 A 70 70 THR H H 70 7.550 7.817 -0.267 2 1 839 . 1 1 A 70 70 THR HA H 70 3.530 3.887 -0.357 2 1 844 . 1 1 A 70 70 THR C C 70 180.360 177.011 3.349 2 1 845 . 1 1 A 70 70 THR CA C 70 66.700 66.396 0.304 2 1 846 . 1 1 A 70 70 THR CB C 70 68.500 68.267 0.233 2 1 848 . 1 1 A 70 70 THR N N 70 114.730 113.503 1.227 2 1 849 . 1 1 A 71 71 MET H H 71 7.000 8.084 -1.084 2 1 850 . 1 1 A 71 71 MET HA H 71 3.640 4.124 -0.484 2 1 858 . 1 1 A 71 71 MET C C 71 176.750 178.499 -1.749 2 1 859 . 1 1 A 71 71 MET CA C 71 58.800 58.179 0.621 2 1 860 . 1 1 A 71 71 MET CB C 71 32.000 32.370 -0.370 2 1 863 . 1 1 A 71 71 MET N N 71 119.750 119.144 0.606 2 1 864 . 1 1 A 72 72 MET H H 72 7.810 8.050 -0.240 2 1 865 . 1 1 A 72 72 MET HA H 72 3.880 4.178 -0.298 2 1 873 . 1 1 A 72 72 MET C C 72 174.850 178.288 -3.438 2 1 874 . 1 1 A 72 72 MET CA C 72 55.100 59.030 -3.930 2 1 875 . 1 1 A 72 72 MET CB C 72 28.900 32.976 -4.076 2 1 878 . 1 1 A 72 72 MET N N 72 115.300 118.496 -3.196 2 1 879 . 1 1 A 73 73 ALA H H 73 7.880 8.196 -0.316 2 1 880 . 1 1 A 73 73 ALA HA H 73 3.990 4.022 -0.032 2 1 884 . 1 1 A 73 73 ALA C C 73 177.940 179.154 -1.214 2 1 885 . 1 1 A 73 73 ALA CA C 73 53.900 55.229 -1.329 2 1 886 . 1 1 A 73 73 ALA CB C 73 18.600 18.307 0.293 2 1 887 . 1 1 A 73 73 ALA N N 73 120.000 121.032 -1.032 2 1 888 . 1 1 A 74 74 ARG H H 74 7.050 7.339 -0.289 2 1 889 . 1 1 A 74 74 ARG HA H 74 4.040 4.301 -0.261 2 1 896 . 1 1 A 74 74 ARG C C 74 178.910 176.743 2.167 2 1 897 . 1 1 A 74 74 ARG CA C 74 57.400 57.004 0.396 2 1 898 . 1 1 A 74 74 ARG CB C 74 30.900 30.500 0.400 2 1 901 . 1 1 A 74 74 ARG N N 74 115.850 116.215 -0.365 2 1 902 . 1 1 A 75 75 LYS H H 75 7.820 7.642 0.178 2 1 903 . 1 1 A 75 75 LYS HA H 75 4.200 4.351 -0.151 2 1 912 . 1 1 A 75 75 LYS C C 75 178.770 176.577 2.193 2 1 913 . 1 1 A 75 75 LYS CA C 75 55.900 55.087 0.813 2 1 914 . 1 1 A 75 75 LYS CB C 75 32.600 30.822 1.778 2 1 918 . 1 1 A 75 75 LYS N N 75 119.600 120.355 -0.755 2 1 919 . 1 1 A 76 76 MET H H 76 8.100 8.249 -0.149 2 1 920 . 1 1 A 76 76 MET HA H 76 4.300 4.844 -0.544 2 1 928 . 1 1 A 76 76 MET C C 76 176.990 175.895 1.095 2 1 929 . 1 1 A 76 76 MET CA C 76 55.800 53.990 1.810 2 1 930 . 1 1 A 76 76 MET CB C 76 33.800 32.846 0.954 2 1 933 . 1 1 A 76 76 MET N N 76 122.300 124.379 -2.079 2 1 934 . 1 1 A 77 77 LYS H H 77 8.150 7.575 0.575 2 1 935 . 1 1 A 77 77 LYS HA H 77 4.210 4.103 0.107 2 1 944 . 1 1 A 77 77 LYS C C 77 176.890 175.623 1.267 2 1 945 . 1 1 A 77 77 LYS CA C 77 56.100 56.869 -0.769 2 1 946 . 1 1 A 77 77 LYS CB C 77 33.000 32.870 0.130 2 1 950 . 1 1 A 77 77 LYS N N 77 121.300 122.393 -1.093 2 1 951 . 1 1 A 78 78 ASP H H 78 8.240 8.666 -0.426 2 1 952 . 1 1 A 78 78 ASP HA H 78 4.500 5.017 -0.517 2 1 955 . 1 1 A 78 78 ASP C C 78 176.090 175.106 0.984 2 1 956 . 1 1 A 78 78 ASP CA C 78 54.700 53.449 1.251 2 1 957 . 1 1 A 78 78 ASP CB C 78 41.300 42.054 -0.754 2 1 958 . 1 1 A 78 78 ASP N N 78 122.200 125.830 -3.630 2 1 959 . 1 1 A 79 79 THR H H 79 8.150 8.696 -0.546 2 1 960 . 1 1 A 79 79 THR HA H 79 4.220 4.735 -0.515 2 1 965 . 1 1 A 79 79 THR C C 79 176.240 173.557 2.683 2 1 966 . 1 1 A 79 79 THR CA C 79 61.500 61.732 -0.232 2 1 967 . 1 1 A 79 79 THR CB C 79 70.300 70.089 0.211 2 1 969 . 1 1 A 79 79 THR N N 79 114.940 118.132 -3.192 2 1 970 . 1 1 A 80 80 ASP H H 80 8.480 8.704 -0.224 2 1 971 . 1 1 A 80 80 ASP HA H 80 4.600 4.661 -0.061 2 1 974 . 1 1 A 80 80 ASP C C 80 176.230 176.912 -0.682 2 1 975 . 1 1 A 80 80 ASP CA C 80 54.100 54.691 -0.591 2 1 976 . 1 1 A 80 80 ASP CB C 80 41.600 41.148 0.452 2 1 977 . 1 1 A 80 80 ASP N N 80 123.800 126.260 -2.460 2 1 978 . 1 1 A 81 81 SER H H 81 8.500 8.967 -0.467 2 1 979 . 1 1 A 81 81 SER HA H 81 4.220 4.110 0.110 2 1 982 . 1 1 A 81 81 SER C C 81 173.900 176.545 -2.645 2 1 983 . 1 1 A 81 81 SER CA C 81 60.400 61.762 -1.362 2 1 984 . 1 1 A 81 81 SER CB C 81 63.700 62.702 0.998 2 1 985 . 1 1 A 81 81 SER N N 81 118.450 120.643 -2.193 2 1 986 . 1 1 A 82 82 GLU H H 82 8.430 8.000 0.430 2 1 987 . 1 1 A 82 82 GLU HA H 82 4.010 4.160 -0.150 2 1 992 . 1 1 A 82 82 GLU C C 82 176.370 179.183 -2.813 2 1 993 . 1 1 A 82 82 GLU CA C 82 59.100 59.202 -0.102 2 1 994 . 1 1 A 82 82 GLU CB C 82 29.600 29.200 0.400 2 1 996 . 1 1 A 82 82 GLU N N 82 121.850 121.179 0.671 2 1 997 . 1 1 A 83 83 GLU H H 83 8.020 8.894 -0.874 2 1 998 . 1 1 A 83 83 GLU HA H 83 4.040 4.035 0.004 2 1 1003 . 1 1 A 83 83 GLU C C 83 175.890 178.648 -2.758 2 1 1004 . 1 1 A 83 83 GLU CA C 83 58.800 59.501 -0.701 2 1 1005 . 1 1 A 83 83 GLU CB C 83 29.400 29.196 0.204 2 1 1007 . 1 1 A 83 83 GLU N N 83 119.470 119.631 -0.161 2 1 1008 . 1 1 A 84 84 GLU H H 84 7.930 7.985 -0.055 2 1 1009 . 1 1 A 84 84 GLU HA H 84 4.150 4.198 -0.048 2 1 1014 . 1 1 A 84 84 GLU C C 84 176.160 179.073 -2.914 2 1 1015 . 1 1 A 84 84 GLU CA C 84 59.400 58.422 0.978 2 1 1016 . 1 1 A 84 84 GLU CB C 84 29.600 29.725 -0.125 2 1 1018 . 1 1 A 84 84 GLU N N 84 118.310 118.559 -0.249 2 1 1019 . 1 1 A 85 85 ILE H H 85 7.880 8.004 -0.124 2 1 1020 . 1 1 A 85 85 ILE HA H 85 3.880 3.726 0.154 2 1 1030 . 1 1 A 85 85 ILE C C 85 179.870 177.679 2.191 2 1 1031 . 1 1 A 85 85 ILE CA C 85 65.400 65.008 0.392 2 1 1032 . 1 1 A 85 85 ILE CB C 85 37.400 37.647 -0.247 2 1 1036 . 1 1 A 85 85 ILE N N 85 120.900 121.068 -0.168 2 1 1037 . 1 1 A 86 86 ARG H H 86 7.990 8.172 -0.182 2 1 1038 . 1 1 A 86 86 ARG HA H 86 4.030 4.054 -0.024 2 1 1045 . 1 1 A 86 86 ARG C C 86 180.520 178.996 1.524 2 1 1046 . 1 1 A 86 86 ARG CA C 86 60.200 59.811 0.389 2 1 1047 . 1 1 A 86 86 ARG CB C 86 29.800 30.006 -0.206 2 1 1050 . 1 1 A 86 86 ARG N N 86 121.000 119.879 1.121 2 1 1051 . 1 1 A 87 87 GLU H H 87 8.350 8.518 -0.168 2 1 1052 . 1 1 A 87 87 GLU HA H 87 3.900 4.087 -0.187 2 1 1057 . 1 1 A 87 87 GLU C C 87 177.380 179.404 -2.024 2 1 1058 . 1 1 A 87 87 GLU CA C 87 59.600 59.418 0.182 2 1 1059 . 1 1 A 87 87 GLU CB C 87 29.500 29.673 -0.173 2 1 1061 . 1 1 A 87 87 GLU N N 87 117.860 119.388 -1.528 2 1 1062 . 1 1 A 88 88 ALA H H 88 7.880 7.837 0.043 2 1 1063 . 1 1 A 88 88 ALA HA H 88 4.060 4.240 -0.180 2 1 1067 . 1 1 A 88 88 ALA C C 88 178.580 179.694 -1.114 2 1 1068 . 1 1 A 88 88 ALA CA C 88 55.200 54.812 0.389 2 1 1069 . 1 1 A 88 88 ALA CB C 88 17.900 18.270 -0.370 2 1 1070 . 1 1 A 88 88 ALA N N 88 120.100 122.490 -2.390 2 1 1071 . 1 1 A 89 89 PHE H H 89 8.550 7.922 0.628 2 1 1072 . 1 1 A 89 89 PHE HA H 89 4.000 3.735 0.265 2 1 1080 . 1 1 A 89 89 PHE C C 89 179.770 177.467 2.303 2 1 1081 . 1 1 A 89 89 PHE CA C 89 61.800 61.310 0.490 2 1 1082 . 1 1 A 89 89 PHE CB C 89 39.130 39.050 0.080 2 1 1088 . 1 1 A 89 89 PHE N N 89 118.760 119.434 -0.674 2 1 1089 . 1 1 A 90 90 ARG H H 90 7.750 7.829 -0.079 2 1 1090 . 1 1 A 90 90 ARG HA H 90 3.760 3.990 -0.230 2 1 1097 . 1 1 A 90 90 ARG C C 90 179.090 178.934 0.156 2 1 1098 . 1 1 A 90 90 ARG CA C 90 58.800 59.285 -0.485 2 1 1099 . 1 1 A 90 90 ARG CB C 90 30.500 29.909 0.591 2 1 1102 . 1 1 A 90 90 ARG N N 90 115.100 118.166 -3.066 2 1 1103 . 1 1 A 91 91 VAL H H 91 7.270 7.540 -0.270 2 1 1104 . 1 1 A 91 91 VAL HA H 91 3.360 3.565 -0.205 2 1 1112 . 1 1 A 91 91 VAL C C 91 179.060 177.981 1.079 2 1 1113 . 1 1 A 91 91 VAL CA C 91 66.050 66.381 -0.331 2 1 1114 . 1 1 A 91 91 VAL CB C 91 31.200 31.733 -0.534 2 1 1117 . 1 1 A 91 91 VAL N N 91 117.450 119.982 -2.532 2 1 1118 . 1 1 A 92 92 PHE H H 92 7.000 7.749 -0.749 2 1 1119 . 1 1 A 92 92 PHE HA H 92 4.070 4.144 -0.074 2 1 1127 . 1 1 A 92 92 PHE C C 92 177.490 176.356 1.134 2 1 1128 . 1 1 A 92 92 PHE CA C 92 60.700 59.817 0.883 2 1 1129 . 1 1 A 92 92 PHE CB C 92 38.000 39.423 -1.423 2 1 1135 . 1 1 A 92 92 PHE N N 92 114.400 118.432 -4.032 2 1 1136 . 1 1 A 93 93 ASP H H 93 7.870 8.135 -0.265 2 1 1137 . 1 1 A 93 93 ASP HA H 93 4.450 4.458 -0.008 2 1 1140 . 1 1 A 93 93 ASP C C 93 176.830 176.344 0.486 2 1 1141 . 1 1 A 93 93 ASP CA C 93 52.300 52.379 -0.079 2 1 1142 . 1 1 A 93 93 ASP CB C 93 38.800 39.226 -0.426 2 1 1143 . 1 1 A 93 93 ASP N N 93 115.100 117.059 -1.959 2 1 1144 . 1 1 A 94 94 LYS H H 94 7.510 7.960 -0.450 2 1 1145 . 1 1 A 94 94 LYS HA H 94 3.770 3.839 -0.069 2 1 1154 . 1 1 A 94 94 LYS C C 94 176.650 177.726 -1.076 2 1 1155 . 1 1 A 94 94 LYS CA C 94 59.400 59.741 -0.341 2 1 1156 . 1 1 A 94 94 LYS CB C 94 32.800 32.229 0.571 2 1 1160 . 1 1 A 94 94 LYS N N 94 124.250 126.351 -2.101 2 1 1161 . 1 1 A 95 95 ASP H H 95 8.190 7.575 0.615 2 1 1162 . 1 1 A 95 95 ASP HA H 95 4.430 4.598 -0.168 2 1 1165 . 1 1 A 95 95 ASP C C 95 177.580 177.605 -0.025 2 1 1166 . 1 1 A 95 95 ASP CA C 95 53.600 53.182 0.418 2 1 1167 . 1 1 A 95 95 ASP CB C 95 39.900 39.937 -0.037 2 1 1168 . 1 1 A 95 95 ASP N N 95 113.600 114.856 -1.256 2 1 1169 . 1 1 A 96 96 GLY H H 96 7.770 7.931 -0.161 2 1 1170 . 1 1 A 96 96 GLY HA2 H 96 3.750 3.902 -0.152 2 1 1171 . 1 1 A 96 96 GLY HA3 H 96 3.750 3.910 -0.160 2 1 1172 . 1 1 A 96 96 GLY C C 96 178.400 175.479 2.921 2 1 1173 . 1 1 A 96 96 GLY CA C 96 47.100 47.016 0.084 2 1 1174 . 1 1 A 96 96 GLY N N 96 108.900 109.108 -0.208 2 1 1175 . 1 1 A 97 97 ASN H H 97 8.270 8.045 0.225 2 1 1176 . 1 1 A 97 97 ASN HA H 97 4.520 4.764 -0.245 2 1 1181 . 1 1 A 97 97 ASN CA C 97 52.900 52.437 0.463 2 1 1182 . 1 1 A 97 97 ASN CB C 97 38.100 38.094 0.006 2 1 1183 . 1 1 A 97 97 ASN N N 97 119.460 118.883 0.577 2 1 1185 . 1 1 A 98 98 GLY H H 98 10.660 9.469 1.191 2 1 1186 . 1 1 A 98 98 GLY HA2 H 98 3.330 3.773 -0.443 2 1 1187 . 1 1 A 98 98 GLY HA3 H 98 3.960 3.895 0.065 2 1 1188 . 1 1 A 98 98 GLY C C 98 178.360 172.822 5.538 2 1 1189 . 1 1 A 98 98 GLY CA C 98 45.800 45.394 0.406 2 1 1190 . 1 1 A 98 98 GLY N N 98 112.700 111.576 1.124 2 1 1191 . 1 1 A 99 99 TYR H H 99 7.570 8.562 -0.992 2 1 1192 . 1 1 A 99 99 TYR HA H 99 4.850 5.367 -0.517 2 1 1199 . 1 1 A 99 99 TYR C C 99 176.090 175.040 1.050 2 1 1200 . 1 1 A 99 99 TYR CA C 99 56.250 56.004 0.246 2 1 1201 . 1 1 A 99 99 TYR CB C 99 42.700 43.177 -0.477 2 1 1206 . 1 1 A 99 99 TYR N N 99 115.850 117.407 -1.557 2 1 1207 . 1 1 A 100 100 ILE H H 100 10.120 9.197 0.923 2 1 1208 . 1 1 A 100 100 ILE HA H 100 4.600 4.817 -0.217 2 1 1218 . 1 1 A 100 100 ILE C C 100 172.730 175.604 -2.874 2 1 1219 . 1 1 A 100 100 ILE CA C 100 61.500 60.530 0.970 2 1 1220 . 1 1 A 100 100 ILE CB C 100 39.300 39.085 0.215 2 1 1224 . 1 1 A 100 100 ILE N N 100 127.260 124.811 2.449 2 1 1225 . 1 1 A 101 101 SER H H 101 9.010 9.178 -0.168 2 1 1226 . 1 1 A 101 101 SER HA H 101 4.820 4.755 0.065 2 1 1229 . 1 1 A 101 101 SER C C 101 174.660 175.691 -1.031 2 1 1230 . 1 1 A 101 101 SER CA C 101 55.900 57.580 -1.680 2 1 1231 . 1 1 A 101 101 SER CB C 101 67.000 64.792 2.208 2 1 1232 . 1 1 A 101 101 SER N N 101 123.850 123.168 0.682 2 1 1233 . 1 1 A 102 102 ALA H H 102 9.240 9.036 0.204 2 1 1234 . 1 1 A 102 102 ALA HA H 102 3.830 4.059 -0.229 2 1 1238 . 1 1 A 102 102 ALA C C 102 175.840 179.856 -4.016 2 1 1239 . 1 1 A 102 102 ALA CA C 102 56.170 55.819 0.351 2 1 1240 . 1 1 A 102 102 ALA CB C 102 18.200 17.965 0.235 2 1 1241 . 1 1 A 102 102 ALA N N 102 122.650 127.759 -5.109 2 1 1242 . 1 1 A 103 103 ALA H H 103 8.180 8.176 0.004 2 1 1243 . 1 1 A 103 103 ALA HA H 103 3.980 3.981 -0.001 2 1 1247 . 1 1 A 103 103 ALA C C 103 175.260 180.256 -4.996 2 1 1248 . 1 1 A 103 103 ALA CA C 103 55.200 55.219 -0.019 2 1 1249 . 1 1 A 103 103 ALA CB C 103 18.500 18.703 -0.203 2 1 1250 . 1 1 A 103 103 ALA N N 103 118.250 119.560 -1.310 2 1 1251 . 1 1 A 104 104 GLU H H 104 7.860 7.897 -0.037 2 1 1252 . 1 1 A 104 104 GLU HA H 104 3.890 3.919 -0.029 2 1 1257 . 1 1 A 104 104 GLU C C 104 179.350 179.097 0.253 2 1 1258 . 1 1 A 104 104 GLU CA C 104 59.800 59.444 0.356 2 1 1259 . 1 1 A 104 104 GLU CB C 104 29.500 29.658 -0.158 2 1 1261 . 1 1 A 104 104 GLU N N 104 120.200 118.072 2.128 2 1 1262 . 1 1 A 105 105 LEU H H 105 8.500 7.989 0.511 2 1 1263 . 1 1 A 105 105 LEU HA H 105 3.960 3.939 0.021 2 1 1273 . 1 1 A 105 105 LEU C C 105 179.190 178.564 0.626 2 1 1274 . 1 1 A 105 105 LEU CA C 105 58.400 57.872 0.528 2 1 1275 . 1 1 A 105 105 LEU CB C 105 42.600 41.574 1.026 2 1 1279 . 1 1 A 105 105 LEU N N 105 120.100 121.072 -0.972 2 1 1280 . 1 1 A 106 106 ARG H H 106 8.490 8.332 0.158 2 1 1281 . 1 1 A 106 106 ARG HA H 106 3.550 3.945 -0.395 2 1 1288 . 1 1 A 106 106 ARG C C 106 175.240 178.513 -3.273 2 1 1289 . 1 1 A 106 106 ARG CA C 106 60.300 59.329 0.971 2 1 1290 . 1 1 A 106 106 ARG CB C 106 30.400 29.829 0.571 2 1 1293 . 1 1 A 106 106 ARG N N 106 117.300 119.652 -2.352 2 1 1294 . 1 1 A 107 107 HIS H H 107 7.870 7.942 -0.072 2 1 1295 . 1 1 A 107 107 HIS HA H 107 4.120 4.151 -0.030 2 1 1300 . 1 1 A 107 107 HIS C C 107 176.690 177.230 -0.540 2 1 1301 . 1 1 A 107 107 HIS CA C 107 60.300 59.153 1.147 2 1 1302 . 1 1 A 107 107 HIS CB C 107 31.100 29.668 1.432 2 1 1304 . 1 1 A 107 107 HIS N N 107 120.000 119.714 0.286 2 1 1306 . 1 1 A 108 108 VAL H H 108 8.190 8.700 -0.510 2 1 1307 . 1 1 A 108 108 VAL HA H 108 3.400 3.382 0.018 2 1 1315 . 1 1 A 108 108 VAL C C 108 178.430 177.805 0.625 2 1 1316 . 1 1 A 108 108 VAL CA C 108 66.500 66.342 0.158 2 1 1317 . 1 1 A 108 108 VAL CB C 108 31.800 31.053 0.747 2 1 1320 . 1 1 A 108 108 VAL N N 108 118.980 119.463 -0.483 2 1 1321 . 1 1 A 109 109 MET H H 109 8.180 7.807 0.373 2 1 1322 . 1 1 A 109 109 MET HA H 109 4.220 4.047 0.173 2 1 1330 . 1 1 A 109 109 MET C C 109 179.690 178.598 1.092 2 1 1331 . 1 1 A 109 109 MET CA C 109 57.300 58.770 -1.470 2 1 1332 . 1 1 A 109 109 MET CB C 109 29.700 32.425 -2.724 2 1 1335 . 1 1 A 109 109 MET N N 109 114.980 117.675 -2.695 2 1 1336 . 1 1 A 110 110 THR H H 110 8.220 8.017 0.203 2 1 1337 . 1 1 A 110 110 THR HA H 110 4.000 3.842 0.158 2 1 1342 . 1 1 A 110 110 THR C C 110 176.410 176.536 -0.126 2 1 1343 . 1 1 A 110 110 THR CA C 110 67.100 66.562 0.538 2 1 1344 . 1 1 A 110 110 THR CB C 110 68.500 68.151 0.349 2 1 1346 . 1 1 A 110 110 THR N N 110 116.970 114.158 2.812 2 1 1347 . 1 1 A 111 111 ASN H H 111 7.780 7.665 0.115 2 1 1348 . 1 1 A 111 111 ASN HA H 111 4.320 4.467 -0.147 2 1 1353 . 1 1 A 111 111 ASN CA C 111 55.800 56.115 -0.315 2 1 1354 . 1 1 A 111 111 ASN CB C 111 38.200 37.932 0.268 2 1 1355 . 1 1 A 111 111 ASN N N 111 122.350 119.795 2.555 2 1 1357 . 1 1 A 112 112 LEU H H 112 7.480 7.456 0.024 2 1 1358 . 1 1 A 112 112 LEU HA H 112 4.210 4.269 -0.059 2 1 1368 . 1 1 A 112 112 LEU C C 112 178.710 177.050 1.660 2 1 1369 . 1 1 A 112 112 LEU CA C 112 55.100 55.220 -0.120 2 1 1370 . 1 1 A 112 112 LEU CB C 112 42.500 42.517 -0.017 2 1 1374 . 1 1 A 112 112 LEU N N 112 118.300 117.025 1.275 2 1 1375 . 1 1 A 113 113 GLY H H 113 7.740 7.859 -0.119 2 1 1376 . 1 1 A 113 113 GLY HA2 H 113 3.580 3.926 -0.346 2 1 1377 . 1 1 A 113 113 GLY HA3 H 113 4.140 3.937 0.203 2 1 1378 . 1 1 A 113 113 GLY C C 113 176.830 174.795 2.035 2 1 1379 . 1 1 A 113 113 GLY CA C 113 45.370 46.409 -1.039 2 1 1380 . 1 1 A 113 113 GLY N N 113 106.500 108.280 -1.780 2 1 1381 . 1 1 A 114 114 GLU H H 114 7.780 8.071 -0.291 2 1 1382 . 1 1 A 114 114 GLU HA H 114 4.240 4.303 -0.063 2 1 1387 . 1 1 A 114 114 GLU C C 114 176.790 176.025 0.765 2 1 1388 . 1 1 A 114 114 GLU CA C 114 54.800 57.145 -2.345 2 1 1389 . 1 1 A 114 114 GLU CB C 114 29.900 30.296 -0.396 2 1 1391 . 1 1 A 114 114 GLU N N 114 119.300 119.961 -0.661 2 1 1392 . 1 1 A 115 115 LYS H H 115 8.540 7.861 0.679 2 1 1393 . 1 1 A 115 115 LYS HA H 115 4.270 3.799 0.471 2 1 1402 . 1 1 A 115 115 LYS C C 115 174.300 175.634 -1.334 2 1 1403 . 1 1 A 115 115 LYS CA C 115 55.500 57.096 -1.596 2 1 1404 . 1 1 A 115 115 LYS CB C 115 31.900 30.364 1.536 2 1 1408 . 1 1 A 115 115 LYS N N 115 125.000 117.675 7.325 2 1 1409 . 1 1 A 116 116 LEU H H 116 8.000 7.887 0.113 2 1 1410 . 1 1 A 116 116 LEU HA H 116 4.630 4.384 0.246 2 1 1420 . 1 1 A 116 116 LEU C C 116 175.060 177.589 -2.529 2 1 1421 . 1 1 A 116 116 LEU CA C 116 54.100 54.588 -0.488 2 1 1422 . 1 1 A 116 116 LEU CB C 116 44.100 42.685 1.415 2 1 1426 . 1 1 A 116 116 LEU N N 116 123.620 119.461 4.159 2 1 1427 . 1 1 A 117 117 THR H H 117 9.140 8.628 0.512 2 1 1428 . 1 1 A 117 117 THR HA H 117 4.340 4.633 -0.293 2 1 1433 . 1 1 A 117 117 THR C C 117 175.610 175.350 0.260 2 1 1434 . 1 1 A 117 117 THR CA C 117 60.500 60.615 -0.115 2 1 1435 . 1 1 A 117 117 THR CB C 117 71.100 71.367 -0.267 2 1 1437 . 1 1 A 117 117 THR N N 117 114.240 114.405 -0.165 2 1 1438 . 1 1 A 118 118 ASP H H 118 8.820 8.939 -0.119 2 1 1439 . 1 1 A 118 118 ASP HA H 118 4.100 4.252 -0.151 2 1 1442 . 1 1 A 118 118 ASP C C 118 178.610 178.060 0.550 2 1 1443 . 1 1 A 118 118 ASP CA C 118 58.000 58.055 -0.055 2 1 1444 . 1 1 A 118 118 ASP CB C 118 39.700 40.866 -1.166 2 1 1445 . 1 1 A 118 118 ASP N N 118 120.660 122.048 -1.388 2 1 1446 . 1 1 A 119 119 GLU H H 119 8.450 8.197 0.253 2 1 1447 . 1 1 A 119 119 GLU HA H 119 3.960 4.001 -0.041 2 1 1452 . 1 1 A 119 119 GLU C C 119 175.620 179.329 -3.709 2 1 1453 . 1 1 A 119 119 GLU CA C 119 59.800 59.688 0.112 2 1 1454 . 1 1 A 119 119 GLU CB C 119 29.400 29.215 0.185 2 1 1456 . 1 1 A 119 119 GLU N N 119 118.790 118.915 -0.125 2 1 1457 . 1 1 A 120 120 GLU H H 120 7.570 7.582 -0.012 2 1 1458 . 1 1 A 120 120 GLU HA H 120 3.950 4.158 -0.208 2 1 1463 . 1 1 A 120 120 GLU C C 120 178.630 179.036 -0.406 2 1 1464 . 1 1 A 120 120 GLU CA C 120 59.600 58.623 0.977 2 1 1465 . 1 1 A 120 120 GLU CB C 120 29.400 29.101 0.299 2 1 1467 . 1 1 A 120 120 GLU N N 120 120.120 119.157 0.963 2 1 1468 . 1 1 A 121 121 VAL H H 121 7.750 8.098 -0.348 2 1 1469 . 1 1 A 121 121 VAL HA H 121 3.240 3.555 -0.315 2 1 1477 . 1 1 A 121 121 VAL C C 121 179.110 177.640 1.470 2 1 1478 . 1 1 A 121 121 VAL CA C 121 67.300 66.329 0.971 2 1 1479 . 1 1 A 121 121 VAL CB C 121 31.550 31.600 -0.050 2 1 1482 . 1 1 A 121 121 VAL N N 121 119.400 121.470 -2.070 2 1 1483 . 1 1 A 122 122 ASP H H 122 7.840 8.062 -0.222 2 1 1484 . 1 1 A 122 122 ASP HA H 122 4.260 4.354 -0.094 2 1 1487 . 1 1 A 122 122 ASP C C 122 178.890 178.680 0.210 2 1 1488 . 1 1 A 122 122 ASP CA C 122 57.700 57.370 0.330 2 1 1489 . 1 1 A 122 122 ASP CB C 122 40.200 40.481 -0.281 2 1 1490 . 1 1 A 122 122 ASP N N 122 118.550 119.872 -1.322 2 1 1491 . 1 1 A 123 123 GLU H H 123 8.110 8.170 -0.060 2 1 1492 . 1 1 A 123 123 GLU HA H 123 3.880 4.062 -0.183 2 1 1497 . 1 1 A 123 123 GLU C C 123 177.710 179.007 -1.297 2 1 1498 . 1 1 A 123 123 GLU CA C 123 59.600 59.349 0.251 2 1 1499 . 1 1 A 123 123 GLU CB C 123 29.400 29.232 0.168 2 1 1501 . 1 1 A 123 123 GLU N N 123 119.670 119.746 -0.076 2 1 1502 . 1 1 A 124 124 MET H H 124 8.000 8.089 -0.089 2 1 1503 . 1 1 A 124 124 MET HA H 124 3.700 4.166 -0.466 2 1 1511 . 1 1 A 124 124 MET C C 124 179.020 178.826 0.195 2 1 1512 . 1 1 A 124 124 MET CA C 124 60.700 58.835 1.865 2 1 1513 . 1 1 A 124 124 MET CB C 124 33.200 32.920 0.280 2 1 1516 . 1 1 A 124 124 MET N N 124 118.100 118.911 -0.811 2 1 1517 . 1 1 A 125 125 ILE H H 125 8.220 7.854 0.366 2 1 1518 . 1 1 A 125 125 ILE HA H 125 3.610 3.635 -0.025 2 1 1528 . 1 1 A 125 125 ILE C C 125 179.410 177.903 1.507 2 1 1529 . 1 1 A 125 125 ILE CA C 125 64.200 65.003 -0.803 2 1 1530 . 1 1 A 125 125 ILE CB C 125 36.000 37.787 -1.787 2 1 1534 . 1 1 A 125 125 ILE N N 125 121.400 119.361 2.039 2 1 1535 . 1 1 A 126 126 ARG H H 126 8.510 8.012 0.498 2 1 1536 . 1 1 A 126 126 ARG HA H 126 3.930 3.906 0.024 2 1 1543 . 1 1 A 126 126 ARG C C 126 178.070 178.861 -0.791 2 1 1544 . 1 1 A 126 126 ARG CA C 126 59.500 59.877 -0.377 2 1 1545 . 1 1 A 126 126 ARG CB C 126 30.300 29.749 0.551 2 1 1548 . 1 1 A 126 126 ARG N N 126 117.650 120.160 -2.510 2 1 1549 . 1 1 A 127 127 GLU H H 127 7.820 8.222 -0.402 2 1 1550 . 1 1 A 127 127 GLU HA H 127 3.880 4.034 -0.154 2 1 1555 . 1 1 A 127 127 GLU C C 127 180.080 178.205 1.875 2 1 1556 . 1 1 A 127 127 GLU CA C 127 58.300 59.331 -1.031 2 1 1557 . 1 1 A 127 127 GLU CB C 127 29.800 29.325 0.475 2 1 1559 . 1 1 A 127 127 GLU N N 127 115.300 119.197 -3.897 2 1 1560 . 1 1 A 128 128 ALA H H 128 6.960 7.233 -0.273 2 1 1561 . 1 1 A 128 128 ALA HA H 128 4.340 4.359 -0.019 2 1 1565 . 1 1 A 128 128 ALA C C 128 181.640 177.208 4.432 2 1 1566 . 1 1 A 128 128 ALA CA C 128 51.700 52.175 -0.475 2 1 1567 . 1 1 A 128 128 ALA CB C 128 22.400 20.100 2.300 2 1 1568 . 1 1 A 128 128 ALA N N 128 115.890 120.841 -4.951 2 1 1569 . 1 1 A 129 129 ASP H H 129 8.210 7.799 0.411 2 1 1570 . 1 1 A 129 129 ASP HA H 129 4.360 4.595 -0.234 2 1 1573 . 1 1 A 129 129 ASP C C 129 176.420 176.728 -0.308 2 1 1574 . 1 1 A 129 129 ASP CA C 129 54.300 54.058 0.242 2 1 1575 . 1 1 A 129 129 ASP CB C 129 40.400 40.621 -0.221 2 1 1576 . 1 1 A 129 129 ASP N N 129 117.100 118.450 -1.350 2 1 1577 . 1 1 A 130 130 ILE H H 130 8.250 8.789 -0.539 2 1 1578 . 1 1 A 130 130 ILE HA H 130 3.800 4.063 -0.263 2 1 1588 . 1 1 A 130 130 ILE C C 130 177.960 175.385 2.575 2 1 1589 . 1 1 A 130 130 ILE CA C 130 63.500 62.784 0.716 2 1 1590 . 1 1 A 130 130 ILE CB C 130 38.500 38.284 0.216 2 1 1594 . 1 1 A 130 130 ILE N N 130 127.900 126.121 1.779 2 1 1595 . 1 1 A 131 131 ASP H H 131 8.220 7.631 0.589 2 1 1596 . 1 1 A 131 131 ASP HA H 131 4.400 4.962 -0.562 2 1 1599 . 1 1 A 131 131 ASP C C 131 175.850 175.913 -0.063 2 1 1600 . 1 1 A 131 131 ASP CA C 131 53.800 52.442 1.358 2 1 1601 . 1 1 A 131 131 ASP CB C 131 39.900 44.065 -4.165 2 1 1602 . 1 1 A 131 131 ASP N N 131 116.250 118.029 -1.779 2 1 1603 . 1 1 A 132 132 GLY H H 132 7.520 9.071 -1.551 2 1 1604 . 1 1 A 132 132 GLY HA2 H 132 3.700 3.898 -0.198 2 1 1605 . 1 1 A 132 132 GLY HA3 H 132 3.900 3.903 -0.003 2 1 1606 . 1 1 A 132 132 GLY C C 132 177.820 175.072 2.748 2 1 1607 . 1 1 A 132 132 GLY CA C 132 47.400 47.234 0.166 2 1 1608 . 1 1 A 132 132 GLY N N 132 108.170 107.942 0.228 2 1 1609 . 1 1 A 133 133 ASP H H 133 8.240 8.335 -0.095 2 1 1610 . 1 1 A 133 133 ASP HA H 133 4.360 4.551 -0.191 2 1 1613 . 1 1 A 133 133 ASP C C 133 178.290 177.554 0.736 2 1 1614 . 1 1 A 133 133 ASP CA C 133 53.800 53.493 0.307 2 1 1615 . 1 1 A 133 133 ASP CB C 133 40.300 40.316 -0.016 2 1 1616 . 1 1 A 133 133 ASP N N 133 120.370 120.168 0.202 2 1 1617 . 1 1 A 134 134 GLY H H 134 10.140 9.498 0.642 2 1 1618 . 1 1 A 134 134 GLY HA2 H 134 3.300 3.838 -0.538 2 1 1619 . 1 1 A 134 134 GLY HA3 H 134 3.930 3.848 0.082 2 1 1620 . 1 1 A 134 134 GLY C C 134 175.350 173.269 2.081 2 1 1621 . 1 1 A 134 134 GLY CA C 134 45.900 45.634 0.266 2 1 1622 . 1 1 A 134 134 GLY N N 134 112.150 111.305 0.845 2 1 1623 . 1 1 A 135 135 GLN H H 135 7.910 8.039 -0.129 2 1 1624 . 1 1 A 135 135 GLN HA H 135 4.870 4.996 -0.126 2 1 1631 . 1 1 A 135 135 GLN C C 135 177.620 174.488 3.132 2 1 1632 . 1 1 A 135 135 GLN CA C 135 53.300 53.693 -0.393 2 1 1633 . 1 1 A 135 135 GLN CB C 135 33.000 32.611 0.389 2 1 1635 . 1 1 A 135 135 GLN N N 135 114.700 118.590 -3.890 2 1 1637 . 1 1 A 136 136 VAL H H 136 9.070 8.842 0.228 2 1 1638 . 1 1 A 136 136 VAL HA H 136 5.110 5.151 -0.041 2 1 1646 . 1 1 A 136 136 VAL C C 136 172.750 175.571 -2.821 2 1 1647 . 1 1 A 136 136 VAL CA C 136 61.800 61.654 0.146 2 1 1648 . 1 1 A 136 136 VAL CB C 136 34.100 33.077 1.023 2 1 1651 . 1 1 A 136 136 VAL N N 136 124.900 122.591 2.309 2 1 1652 . 1 1 A 137 137 ASN H H 137 9.450 8.938 0.512 2 1 1653 . 1 1 A 137 137 ASN HA H 137 5.240 5.044 0.196 2 1 1658 . 1 1 A 137 137 ASN CA C 137 51.400 52.449 -1.049 2 1 1659 . 1 1 A 137 137 ASN CB C 137 40.000 39.935 0.065 2 1 1660 . 1 1 A 137 137 ASN N N 137 128.840 126.335 2.505 2 1 1662 . 1 1 A 138 138 TYR H H 138 8.330 8.884 -0.554 2 1 1663 . 1 1 A 138 138 TYR HA H 138 3.240 4.283 -1.043 2 1 1670 . 1 1 A 138 138 TYR C C 138 180.030 177.309 2.721 2 1 1671 . 1 1 A 138 138 TYR CA C 138 62.400 62.343 0.057 2 1 1672 . 1 1 A 138 138 TYR CB C 138 38.000 38.466 -0.466 2 1 1677 . 1 1 A 138 138 TYR N N 138 118.150 124.927 -6.777 2 1 1678 . 1 1 A 139 139 GLU H H 139 7.990 8.347 -0.357 2 1 1679 . 1 1 A 139 139 GLU HA H 139 3.520 3.869 -0.349 2 1 1684 . 1 1 A 139 139 GLU C C 139 179.170 179.167 0.003 2 1 1685 . 1 1 A 139 139 GLU CA C 139 60.550 60.148 0.402 2 1 1686 . 1 1 A 139 139 GLU CB C 139 29.100 29.638 -0.538 2 1 1688 . 1 1 A 139 139 GLU N N 139 118.100 118.469 -0.369 2 1 1689 . 1 1 A 140 140 GLU H H 140 8.640 8.141 0.499 2 1 1690 . 1 1 A 140 140 GLU HA H 140 3.780 4.073 -0.293 2 1 1695 . 1 1 A 140 140 GLU C C 140 181.440 178.996 2.444 2 1 1696 . 1 1 A 140 140 GLU CA C 140 58.800 59.101 -0.301 2 1 1697 . 1 1 A 140 140 GLU CB C 140 29.200 29.647 -0.447 2 1 1699 . 1 1 A 140 140 GLU N N 140 119.300 119.985 -0.685 2 1 1700 . 1 1 A 141 141 PHE H H 141 8.470 8.097 0.373 2 1 1701 . 1 1 A 141 141 PHE HA H 141 3.380 3.896 -0.516 2 1 1709 . 1 1 A 141 141 PHE C C 141 178.980 176.760 2.220 2 1 1710 . 1 1 A 141 141 PHE CA C 141 61.900 61.334 0.566 2 1 1711 . 1 1 A 141 141 PHE CB C 141 40.200 39.266 0.934 2 1 1717 . 1 1 A 141 141 PHE N N 141 123.640 121.733 1.907 2 1 1718 . 1 1 A 142 142 VAL H H 142 8.510 8.089 0.421 2 1 1719 . 1 1 A 142 142 VAL HA H 142 3.000 3.327 -0.327 2 1 1727 . 1 1 A 142 142 VAL C C 142 176.540 177.644 -1.104 2 1 1728 . 1 1 A 142 142 VAL CA C 142 66.900 66.357 0.543 2 1 1729 . 1 1 A 142 142 VAL CB C 142 31.450 31.329 0.121 2 1 1732 . 1 1 A 142 142 VAL N N 142 118.330 118.916 -0.586 2 1 1733 . 1 1 A 143 143 GLN H H 143 7.520 8.136 -0.616 2 1 1734 . 1 1 A 143 143 GLN HA H 143 3.750 3.906 -0.156 2 1 1741 . 1 1 A 143 143 GLN C C 143 176.630 178.227 -1.597 2 1 1742 . 1 1 A 143 143 GLN CA C 143 58.900 59.222 -0.322 2 1 1743 . 1 1 A 143 143 GLN CB C 143 28.200 28.141 0.059 2 1 1745 . 1 1 A 143 143 GLN N N 143 118.100 119.350 -1.250 2 1 1747 . 1 1 A 144 144 MET H H 144 7.250 7.829 -0.579 2 1 1748 . 1 1 A 144 144 MET HA H 144 4.090 4.206 -0.116 2 1 1756 . 1 1 A 144 144 MET C C 144 179.340 178.636 0.704 2 1 1757 . 1 1 A 144 144 MET CA C 144 56.750 57.630 -0.880 2 1 1758 . 1 1 A 144 144 MET CB C 144 30.800 32.316 -1.516 2 1 1761 . 1 1 A 144 144 MET N N 144 117.300 117.903 -0.603 2 1 1762 . 1 1 A 145 145 MET H H 145 7.460 7.774 -0.314 2 1 1763 . 1 1 A 145 145 MET HA H 145 3.900 4.033 -0.133 2 1 1771 . 1 1 A 145 145 MET C C 145 178.110 177.722 0.388 2 1 1772 . 1 1 A 145 145 MET CA C 145 56.800 57.779 -0.979 2 1 1773 . 1 1 A 145 145 MET CB C 145 31.800 33.459 -1.659 2 1 1776 . 1 1 A 145 145 MET N N 145 114.350 118.582 -4.232 2 1 1777 . 1 1 A 146 146 THR H H 146 7.560 8.014 -0.454 2 1 1778 . 1 1 A 146 146 THR HA H 146 4.220 4.354 -0.134 2 1 1783 . 1 1 A 146 146 THR C C 146 177.440 174.672 2.768 2 1 1784 . 1 1 A 146 146 THR CA C 146 62.650 62.237 0.413 2 1 1785 . 1 1 A 146 146 THR CB C 146 69.700 68.851 0.849 2 1 1787 . 1 1 A 146 146 THR N N 146 109.350 110.592 -1.242 2 1 1788 . 1 1 A 147 147 ALA H H 147 7.420 7.625 -0.205 2 1 1789 . 1 1 A 147 147 ALA HA H 147 4.170 4.185 -0.015 2 1 1793 . 1 1 A 147 147 ALA C C 147 177.480 177.344 0.136 2 1 1794 . 1 1 A 147 147 ALA CA C 147 52.900 53.099 -0.199 2 1 1795 . 1 1 A 147 147 ALA CB C 147 19.200 18.647 0.553 2 1 1796 . 1 1 A 147 147 ALA N N 147 125.650 124.985 0.665 2 1 1814 . 2 2 B 1 1 ARG H H 1088 8.270 8.474 -0.204 2 1 1815 . 2 2 B 1 1 ARG HA H 1088 3.860 4.256 -0.396 2 1 1822 . 2 2 B 1 1 ARG CA C 1088 59.900 56.622 3.278 2 1 1823 . 2 2 B 1 1 ARG CB C 1088 29.900 29.695 0.205 2 1 1826 . 2 2 B 1 1 ARG N N 1088 117.300 121.370 -4.070 2 1 1827 . 2 2 B 2 2 GLY H H 1089 9.370 8.325 1.045 2 1 1828 . 2 2 B 2 2 GLY HA2 H 1089 3.520 3.974 -0.454 2 1 1829 . 2 2 B 2 2 GLY HA3 H 1089 3.730 3.999 -0.269 2 1 1830 . 2 2 B 2 2 GLY C C 1089 176.650 175.689 0.961 2 1 1831 . 2 2 B 2 2 GLY CA C 1089 47.200 51.216 -4.016 2 1 1832 . 2 2 B 2 2 GLY N N 1089 105.000 114.201 -9.201 2 1 1833 . 2 2 B 3 3 GLN H H 1090 6.980 7.859 -0.880 2 1 1834 . 2 2 B 3 3 GLN HA H 1090 3.830 4.393 -0.563 2 1 1841 . 2 2 B 3 3 GLN C C 1090 177.680 178.668 -0.988 2 1 1842 . 2 2 B 3 3 GLN CA C 1090 59.100 57.051 2.049 2 1 1843 . 2 2 B 3 3 GLN CB C 1090 29.800 28.792 1.008 2 1 1845 . 2 2 B 3 3 GLN N N 1090 117.350 118.453 -1.103 2 1 1847 . 2 2 B 4 4 ILE H H 1091 7.760 8.140 -0.380 2 1 1848 . 2 2 B 4 4 ILE HA H 1091 3.480 4.099 -0.619 2 1 1858 . 2 2 B 4 4 ILE C C 1091 175.070 177.433 -2.363 2 1 1859 . 2 2 B 4 4 ILE CA C 1091 65.600 60.354 5.246 2 1 1860 . 2 2 B 4 4 ILE CB C 1091 38.000 40.996 -2.996 2 1 1864 . 2 2 B 4 4 ILE N N 1091 119.650 122.684 -3.034 2 1 1865 . 2 2 B 5 5 LEU H H 1092 7.830 7.956 -0.126 2 1 1866 . 2 2 B 5 5 LEU HA H 1092 3.820 4.117 -0.297 2 1 1876 . 2 2 B 5 5 LEU C C 1092 176.220 177.239 -1.019 2 1 1877 . 2 2 B 5 5 LEU CA C 1092 58.250 60.068 -1.818 2 1 1878 . 2 2 B 5 5 LEU CB C 1092 41.700 55.955 -14.255 2 1 1882 . 2 2 B 5 5 LEU N N 1092 119.200 115.836 3.364 2 1 1883 . 2 2 B 6 6 TRP H H 1093 7.650 8.617 -0.967 2 1 1884 . 2 2 B 6 6 TRP HA H 1093 4.120 4.133 -0.013 2 1 1893 . 2 2 B 6 6 TRP C C 1093 178.490 178.789 -0.299 2 1 1894 . 2 2 B 6 6 TRP CA C 1093 61.100 60.193 0.907 2 1 1895 . 2 2 B 6 6 TRP CB C 1093 30.000 29.444 0.556 2 1 1901 . 2 2 B 6 6 TRP N N 1093 119.200 121.437 -2.237 2 1 1903 . 2 2 B 7 7 PHE H H 1094 8.400 8.304 0.096 2 1 1904 . 2 2 B 7 7 PHE HA H 1094 4.390 4.110 0.280 2 1 1912 . 2 2 B 7 7 PHE C C 1094 178.840 178.285 0.555 2 1 1913 . 2 2 B 7 7 PHE CA C 1094 59.700 60.740 -1.040 2 1 1914 . 2 2 B 7 7 PHE CB C 1094 37.000 34.198 2.802 2 1 1919 . 2 2 B 7 7 PHE N N 1094 117.800 119.277 -1.477 2 1 1920 . 2 2 B 8 8 ARG H H 1095 8.360 7.932 0.428 2 1 1921 . 2 2 B 8 8 ARG HA H 1095 4.140 4.139 0.001 2 1 1928 . 2 2 B 8 8 ARG C C 1095 178.290 178.966 -0.676 2 1 1929 . 2 2 B 8 8 ARG CA C 1095 59.600 59.164 0.436 2 1 1930 . 2 2 B 8 8 ARG CB C 1095 30.500 29.296 1.204 2 1 1933 . 2 2 B 8 8 ARG N N 1095 120.800 118.670 2.130 2 1 1934 . 2 2 B 9 9 GLY H H 1096 8.330 8.499 -0.169 2 1 1935 . 2 2 B 9 9 GLY HA2 H 1096 3.560 3.614 -0.054 2 1 1936 . 2 2 B 9 9 GLY HA3 H 1096 3.720 3.642 0.078 2 1 1937 . 2 2 B 9 9 GLY C C 1096 178.010 176.749 1.261 2 1 1938 . 2 2 B 9 9 GLY CA C 1096 47.200 56.487 -9.287 2 1 1939 . 2 2 B 9 9 GLY N N 1096 106.400 113.940 -7.540 2 1 1940 . 2 2 B 10 10 LEU H H 1097 9.090 8.092 0.998 2 1 1941 . 2 2 B 10 10 LEU HA H 1097 4.150 3.983 0.167 2 1 1951 . 2 2 B 10 10 LEU C C 1097 178.820 179.047 -0.227 2 1 1952 . 2 2 B 10 10 LEU CA C 1097 58.500 56.544 1.956 2 1 1953 . 2 2 B 10 10 LEU CB C 1097 41.600 29.679 11.921 2 1 1957 . 2 2 B 10 10 LEU N N 1097 120.900 122.490 -1.590 2 1 1958 . 2 2 B 11 11 ASN H H 1098 8.380 8.049 0.331 2 1 1959 . 2 2 B 11 11 ASN HA H 1098 4.440 4.186 0.255 2 1 1964 . 2 2 B 11 11 ASN CA C 1098 56.700 58.066 -1.366 2 1 1965 . 2 2 B 11 11 ASN CB C 1098 38.700 34.290 4.410 2 1 1966 . 2 2 B 11 11 ASN N N 1098 116.900 117.527 -0.627 2 1 1968 . 2 2 B 12 12 ARG H H 1099 7.900 7.994 -0.094 2 1 1969 . 2 2 B 12 12 ARG HA H 1099 3.980 4.198 -0.218 2 1 1976 . 2 2 B 12 12 ARG C C 1099 178.360 178.212 0.148 2 1 1977 . 2 2 B 12 12 ARG CA C 1099 60.200 60.306 -0.105 2 1 1978 . 2 2 B 12 12 ARG CB C 1099 32.600 34.312 -1.712 2 1 1981 . 2 2 B 12 12 ARG N N 1099 120.100 119.100 1.000 2 1 1982 . 2 2 B 13 13 ILE H H 1100 8.230 8.292 -0.062 2 1 1983 . 2 2 B 13 13 ILE HA H 1100 3.840 3.731 0.109 2 1 1993 . 2 2 B 13 13 ILE C C 1100 178.110 178.257 -0.147 2 1 1994 . 2 2 B 13 13 ILE CA C 1100 63.800 62.709 1.091 2 1 1995 . 2 2 B 13 13 ILE CB C 1100 37.300 35.102 2.198 2 1 1999 . 2 2 B 13 13 ILE N N 1100 120.350 120.641 -0.291 2 1 2000 . 2 2 B 14 14 GLN H H 1101 8.830 7.904 0.926 2 1 2001 . 2 2 B 14 14 GLN HA H 1101 3.990 3.989 0.001 2 1 2008 . 2 2 B 14 14 GLN C C 1101 177.860 178.926 -1.066 2 1 2009 . 2 2 B 14 14 GLN CA C 1101 60.000 59.302 0.698 2 1 2010 . 2 2 B 14 14 GLN CB C 1101 28.800 28.814 -0.014 2 1 2012 . 2 2 B 14 14 GLN N N 1101 118.700 118.268 0.432 2 1 2014 . 2 2 B 15 15 THR H H 1102 8.140 7.646 0.494 2 1 2015 . 2 2 B 15 15 THR HA H 1102 3.890 3.952 -0.062 2 1 2020 . 2 2 B 15 15 THR C C 1102 177.470 178.195 -0.725 2 1 2021 . 2 2 B 15 15 THR CA C 1102 67.400 61.203 6.197 2 1 2022 . 2 2 B 15 15 THR CB C 1102 70.300 43.232 27.068 2 1 2024 . 2 2 B 15 15 THR N N 1102 117.500 120.091 -2.591 2 1 2025 . 2 2 B 16 16 GLN H H 1103 8.320 8.224 0.096 2 1 2026 . 2 2 B 16 16 GLN HA H 1103 4.100 3.813 0.287 2 1 2033 . 2 2 B 16 16 GLN C C 1103 178.890 178.385 0.505 2 1 2034 . 2 2 B 16 16 GLN CA C 1103 60.600 59.451 1.149 2 1 2035 . 2 2 B 16 16 GLN CB C 1103 30.500 33.186 -2.686 2 1 2037 . 2 2 B 16 16 GLN N N 1103 120.650 117.769 2.881 2 1 2039 . 2 2 B 17 17 ILE H H 1104 8.690 7.607 1.083 2 1 2040 . 2 2 B 17 17 ILE HA H 1104 3.470 4.063 -0.593 2 1 2050 . 2 2 B 17 17 ILE C C 1104 175.230 177.157 -1.927 2 1 2051 . 2 2 B 17 17 ILE CA C 1104 66.150 61.722 4.428 2 1 2052 . 2 2 B 17 17 ILE CB C 1104 38.300 50.532 -12.232 2 1 2056 . 2 2 B 17 17 ILE N N 1104 119.400 117.719 1.681 2 1 2057 . 2 2 B 18 18 LYS H H 1105 7.950 8.217 -0.267 2 1 2058 . 2 2 B 18 18 LYS HA H 1105 3.900 3.974 -0.074 2 1 2067 . 2 2 B 18 18 LYS C C 1105 177.660 178.428 -0.768 2 1 2068 . 2 2 B 18 18 LYS CA C 1105 60.050 58.729 1.321 2 1 2069 . 2 2 B 18 18 LYS CB C 1105 32.700 36.911 -4.211 2 1 2073 . 2 2 B 18 18 LYS N N 1105 120.280 122.920 -2.640 2 1 2074 . 2 2 B 19 19 VAL H H 1106 8.280 6.992 1.288 2 1 2075 . 2 2 B 19 19 VAL HA H 1106 3.430 4.218 -0.788 2 1 2083 . 2 2 B 19 19 VAL C C 1106 177.660 176.873 0.787 2 1 2084 . 2 2 B 19 19 VAL CA C 1106 65.900 61.860 4.040 2 1 2085 . 2 2 B 19 19 VAL CB C 1106 31.400 35.724 -4.324 2 1 2088 . 2 2 B 19 19 VAL N N 1106 120.660 116.400 4.260 2 1 2089 . 2 2 B 20 20 VAL H H 1107 8.420 7.530 0.890 2 1 2090 . 2 2 B 20 20 VAL HA H 1107 3.580 4.463 -0.883 2 1 2098 . 2 2 B 20 20 VAL C C 1107 178.930 177.072 1.858 2 1 2099 . 2 2 B 20 20 VAL CA C 1107 68.390 59.807 8.583 2 1 2100 . 2 2 B 20 20 VAL CB C 1107 31.200 35.394 -4.194 2 1 2103 . 2 2 B 20 20 VAL N N 1107 119.990 119.723 0.267 2 1 2104 . 2 2 B 21 21 LYS H H 1108 8.300 8.145 0.155 2 1 2105 . 2 2 B 21 21 LYS HA H 1108 4.050 4.038 0.012 2 1 2114 . 2 2 B 21 21 LYS C C 1108 177.230 178.200 -0.970 2 1 2115 . 2 2 B 21 21 LYS CA C 1108 59.980 59.569 0.411 2 1 2116 . 2 2 B 21 21 LYS CB C 1108 32.400 32.391 0.009 2 1 2120 . 2 2 B 21 21 LYS N N 1108 119.290 123.557 -4.267 2 1 2121 . 2 2 B 22 22 ALA H H 1109 7.690 8.013 -0.323 2 1 2122 . 2 2 B 22 22 ALA HA H 1109 3.900 4.411 -0.511 2 1 2126 . 2 2 B 22 22 ALA C C 1109 178.200 178.736 -0.536 2 1 2127 . 2 2 B 22 22 ALA CA C 1109 54.950 54.128 0.822 2 1 2128 . 2 2 B 22 22 ALA CB C 1109 22.000 29.251 -7.251 2 1 2129 . 2 2 B 22 22 ALA N N 1109 123.910 118.545 5.365 2 1 2130 . 2 2 B 23 23 PHE H H 1110 7.920 8.149 -0.229 2 1 2131 . 2 2 B 23 23 PHE HA H 1110 4.120 4.258 -0.138 2 1 2139 . 2 2 B 23 23 PHE C C 1110 178.840 176.676 2.164 2 1 2140 . 2 2 B 23 23 PHE CA C 1110 61.260 53.933 7.327 2 1 2141 . 2 2 B 23 23 PHE CB C 1110 40.200 38.906 1.294 2 1 2147 . 2 2 B 23 23 PHE N N 1110 118.200 112.287 5.913 2 1 2148 . 2 2 B 24 24 HIS H H 1111 7.960 7.775 0.185 2 1 2149 . 2 2 B 24 24 HIS HA H 1111 4.530 4.508 0.022 2 1 2155 . 2 2 B 24 24 HIS C C 1111 178.710 176.287 2.423 2 1 2156 . 2 2 B 24 24 HIS CA C 1111 57.200 56.437 0.763 2 1 2157 . 2 2 B 24 24 HIS CB C 1111 30.200 35.170 -4.970 2 1 2160 . 2 2 B 24 24 HIS N N 1111 117.760 119.037 -1.277 2 1 2162 . 2 2 B 25 25 SER H H 1112 7.980 8.964 -0.984 2 1 2163 . 2 2 B 25 25 SER HA H 1112 4.340 4.014 0.326 2 1 2166 . 2 2 B 25 25 SER C C 1112 177.230 173.760 3.470 2 1 2167 . 2 2 B 25 25 SER CA C 1112 58.570 52.343 6.227 2 1 2168 . 2 2 B 25 25 SER CB C 1112 63.800 61.593 2.207 2 1 2169 . 2 2 B 25 25 SER N N 1112 116.970 112.904 4.066 2 stop_ save_