data_10284_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10284
_Entry.PDB_ID 2DA2
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 10 10 SER HA H 10 4.461 4.494 -0.033 1
1 4 . 1 1 1 A 10 10 SER C C 10 174.492 174.250 0.242 1
1 5 . 1 1 1 A 10 10 SER CA C 10 58.479 59.723 -1.244 1
1 6 . 1 1 1 A 10 10 SER CB C 10 63.932 64.351 -0.419 1
1 7 . 1 1 1 A 11 11 ARG H H 11 8.318 7.848 0.470 1
1 8 . 1 1 1 A 11 11 ARG HA H 11 4.391 3.852 0.539 1
1 15 . 1 1 1 A 11 11 ARG C C 11 176.264 174.447 1.817 1
1 16 . 1 1 1 A 11 11 ARG CA C 11 56.118 57.010 -0.892 1
1 17 . 1 1 1 A 11 11 ARG CB C 11 30.849 26.942 3.907 1
1 20 . 1 1 1 A 11 11 ARG N N 11 122.795 118.717 4.078 1
1 21 . 1 1 1 A 12 12 THR H H 12 8.159 7.598 0.561 1
1 22 . 1 1 1 A 12 12 THR HA H 12 4.150 4.599 -0.449 1
1 27 . 1 1 1 A 12 12 THR C C 12 173.740 172.483 1.257 1
1 28 . 1 1 1 A 12 12 THR CA C 12 62.463 61.689 0.774 1
1 29 . 1 1 1 A 12 12 THR CB C 12 69.770 70.061 -0.291 1
1 31 . 1 1 1 A 12 12 THR N N 12 117.261 113.126 4.135 1
1 32 . 1 1 1 A 13 13 ARG H H 13 8.319 8.905 -0.586 1
1 33 . 1 1 1 A 13 13 ARG HA H 13 4.332 5.064 -0.732 1
1 40 . 1 1 1 A 13 13 ARG C C 13 175.560 174.909 0.651 1
1 41 . 1 1 1 A 13 13 ARG CA C 13 55.518 54.209 1.309 1
1 42 . 1 1 1 A 13 13 ARG CB C 13 30.763 33.427 -2.664 1
1 45 . 1 1 1 A 13 13 ARG N N 13 125.163 128.361 -3.198 1
1 46 . 1 1 1 A 14 14 PHE H H 14 8.195 9.027 -0.832 1
1 47 . 1 1 1 A 14 14 PHE HA H 14 4.952 4.812 0.140 1
1 55 . 1 1 1 A 14 14 PHE C C 14 176.993 175.165 1.828 1
1 56 . 1 1 1 A 14 14 PHE CA C 14 56.859 57.567 -0.708 1
1 57 . 1 1 1 A 14 14 PHE CB C 14 41.107 40.853 0.254 1
1 63 . 1 1 1 A 14 14 PHE N N 14 121.558 126.470 -4.912 1
1 64 . 1 1 1 A 15 15 THR H H 15 8.999 8.395 0.604 1
1 65 . 1 1 1 A 15 15 THR HA H 15 4.491 4.882 -0.391 1
1 70 . 1 1 1 A 15 15 THR C C 15 174.856 175.158 -0.302 1
1 71 . 1 1 1 A 15 15 THR CA C 15 60.559 59.701 0.858 1
1 72 . 1 1 1 A 15 15 THR CB C 15 70.890 70.930 -0.040 1
1 74 . 1 1 1 A 15 15 THR N N 15 113.369 115.218 -1.849 1
1 75 . 1 1 1 A 16 16 ASP H H 16 8.906 9.267 -0.361 1
1 76 . 1 1 1 A 16 16 ASP HA H 16 4.333 4.266 0.067 1
1 79 . 1 1 1 A 16 16 ASP C C 16 178.764 177.942 0.822 1
1 80 . 1 1 1 A 16 16 ASP CA C 16 57.911 58.224 -0.313 1
1 81 . 1 1 1 A 16 16 ASP CB C 16 39.994 40.401 -0.407 1
1 82 . 1 1 1 A 16 16 ASP N N 16 120.884 127.094 -6.210 1
1 83 . 1 1 1 A 17 17 TYR H H 17 8.356 8.226 0.130 1
1 84 . 1 1 1 A 17 17 TYR HA H 17 4.211 4.104 0.107 1
1 91 . 1 1 1 A 17 17 TYR C C 17 176.264 177.953 -1.689 1
1 92 . 1 1 1 A 17 17 TYR CA C 17 61.045 61.758 -0.713 1
1 93 . 1 1 1 A 17 17 TYR CB C 17 38.666 38.754 -0.088 1
1 98 . 1 1 1 A 17 17 TYR N N 17 119.909 122.090 -2.181 1
1 99 . 1 1 1 A 18 18 GLN H H 18 7.582 8.248 -0.666 1
1 100 . 1 1 1 A 18 18 GLN HA H 18 3.482 3.601 -0.119 1
1 107 . 1 1 1 A 18 18 GLN C C 18 177.502 178.282 -0.780 1
1 108 . 1 1 1 A 18 18 GLN CA C 18 58.726 58.537 0.189 1
1 109 . 1 1 1 A 18 18 GLN CB C 18 27.717 28.384 -0.667 1
1 111 . 1 1 1 A 18 18 GLN N N 18 116.647 118.791 -2.144 1
1 113 . 1 1 1 A 19 19 LEU H H 19 8.170 8.681 -0.511 1
1 114 . 1 1 1 A 19 19 LEU HA H 19 3.508 3.668 -0.160 1
1 124 . 1 1 1 A 19 19 LEU C C 19 178.546 179.241 -0.695 1
1 125 . 1 1 1 A 19 19 LEU CA C 19 57.625 57.779 -0.154 1
1 126 . 1 1 1 A 19 19 LEU CB C 19 41.812 41.272 0.540 1
1 130 . 1 1 1 A 19 19 LEU N N 19 115.406 119.872 -4.466 1
1 131 . 1 1 1 A 20 20 ARG H H 20 7.792 8.108 -0.316 1
1 132 . 1 1 1 A 20 20 ARG HA H 20 3.917 3.958 -0.041 1
1 138 . 1 1 1 A 20 20 ARG C C 20 178.036 178.746 -0.710 1
1 139 . 1 1 1 A 20 20 ARG CA C 20 59.026 59.203 -0.177 1
1 140 . 1 1 1 A 20 20 ARG CB C 20 29.861 29.876 -0.015 1
1 143 . 1 1 1 A 20 20 ARG N N 20 120.360 120.226 0.134 1
1 144 . 1 1 1 A 21 21 VAL H H 21 7.601 7.244 0.357 1
1 145 . 1 1 1 A 21 21 VAL HA H 21 3.533 3.578 -0.045 1
1 153 . 1 1 1 A 21 21 VAL C C 21 179.541 178.104 1.437 1
1 154 . 1 1 1 A 21 21 VAL CA C 21 66.327 66.143 0.184 1
1 155 . 1 1 1 A 21 21 VAL CB C 21 31.509 31.438 0.071 1
1 158 . 1 1 1 A 21 21 VAL N N 21 119.151 118.863 0.288 1
1 159 . 1 1 1 A 22 22 LEU H H 22 7.898 8.282 -0.384 1
1 160 . 1 1 1 A 22 22 LEU HA H 22 3.513 3.806 -0.293 1
1 170 . 1 1 1 A 22 22 LEU C C 22 177.527 179.052 -1.525 1
1 171 . 1 1 1 A 22 22 LEU CA C 22 58.181 58.106 0.075 1
1 172 . 1 1 1 A 22 22 LEU CB C 22 38.573 40.725 -2.152 1
1 176 . 1 1 1 A 22 22 LEU N N 22 119.825 119.867 -0.042 1
1 177 . 1 1 1 A 23 23 GLN H H 23 8.171 8.305 -0.134 1
1 178 . 1 1 1 A 23 23 GLN HA H 23 3.925 3.925 0.000 1
1 185 . 1 1 1 A 23 23 GLN C C 23 178.061 177.321 0.740 1
1 186 . 1 1 1 A 23 23 GLN CA C 23 58.832 58.901 -0.069 1
1 187 . 1 1 1 A 23 23 GLN CB C 23 28.769 28.548 0.221 1
1 189 . 1 1 1 A 23 23 GLN N N 23 118.186 118.148 0.038 1
1 191 . 1 1 1 A 24 24 ASP H H 24 8.446 8.079 0.367 1
1 192 . 1 1 1 A 24 24 ASP HA H 24 4.373 4.423 -0.050 1
1 195 . 1 1 1 A 24 24 ASP C C 24 179.347 178.676 0.671 1
1 196 . 1 1 1 A 24 24 ASP CA C 24 57.294 57.248 0.046 1
1 197 . 1 1 1 A 24 24 ASP CB C 24 40.035 40.910 -0.875 1
1 198 . 1 1 1 A 24 24 ASP N N 24 118.634 119.442 -0.808 1
1 199 . 1 1 1 A 25 25 PHE H H 25 8.224 8.293 -0.069 1
1 200 . 1 1 1 A 25 25 PHE HA H 25 4.062 4.269 -0.207 1
1 208 . 1 1 1 A 25 25 PHE C C 25 177.891 177.594 0.297 1
1 209 . 1 1 1 A 25 25 PHE CA C 25 61.546 60.851 0.695 1
1 210 . 1 1 1 A 25 25 PHE CB C 25 39.246 39.205 0.041 1
1 216 . 1 1 1 A 25 25 PHE N N 25 121.633 119.807 1.826 1
1 217 . 1 1 1 A 26 26 PHE H H 26 9.167 8.115 1.052 1
1 218 . 1 1 1 A 26 26 PHE HA H 26 4.302 4.582 -0.280 1
1 226 . 1 1 1 A 26 26 PHE C C 26 176.531 176.937 -0.406 1
1 227 . 1 1 1 A 26 26 PHE CA C 26 61.476 61.413 0.063 1
1 228 . 1 1 1 A 26 26 PHE CB C 26 39.471 38.886 0.585 1
1 234 . 1 1 1 A 26 26 PHE N N 26 121.265 119.986 1.279 1
1 235 . 1 1 1 A 27 27 ASP H H 27 8.654 8.282 0.372 1
1 236 . 1 1 1 A 27 27 ASP HA H 27 4.238 4.490 -0.252 1
1 239 . 1 1 1 A 27 27 ASP C C 27 177.429 177.428 0.001 1
1 240 . 1 1 1 A 27 27 ASP CA C 27 56.717 57.496 -0.779 1
1 241 . 1 1 1 A 27 27 ASP CB C 27 40.406 41.977 -1.571 1
1 242 . 1 1 1 A 27 27 ASP N N 27 116.555 119.381 -2.826 1
1 243 . 1 1 1 A 28 28 ALA H H 28 7.262 7.214 0.048 1
1 244 . 1 1 1 A 28 28 ALA HA H 28 4.316 4.275 0.041 1
1 248 . 1 1 1 A 28 28 ALA C C 28 177.891 177.346 0.545 1
1 249 . 1 1 1 A 28 28 ALA CA C 28 52.839 53.313 -0.474 1
1 250 . 1 1 1 A 28 28 ALA CB C 28 19.698 19.906 -0.208 1
1 251 . 1 1 1 A 28 28 ALA N N 28 120.441 119.067 1.374 1
1 252 . 1 1 1 A 29 29 ASN H H 29 8.346 8.298 0.048 1
1 253 . 1 1 1 A 29 29 ASN HA H 29 4.432 4.856 -0.424 1
1 258 . 1 1 1 A 29 29 ASN C C 29 172.259 174.304 -2.045 1
1 259 . 1 1 1 A 29 29 ASN CA C 29 52.943 52.387 0.556 1
1 260 . 1 1 1 A 29 29 ASN CB C 29 38.435 41.252 -2.817 1
1 261 . 1 1 1 A 29 29 ASN N N 29 118.701 114.682 4.019 1
1 263 . 1 1 1 A 30 30 ALA H H 30 8.177 8.114 0.063 1
1 264 . 1 1 1 A 30 30 ALA HA H 30 4.010 4.585 -0.575 1
1 268 . 1 1 1 A 30 30 ALA C C 30 176.798 176.674 0.124 1
1 269 . 1 1 1 A 30 30 ALA CA C 30 52.980 50.852 2.128 1
1 270 . 1 1 1 A 30 30 ALA CB C 30 19.233 19.214 0.019 1
1 271 . 1 1 1 A 30 30 ALA N N 30 124.112 128.004 -3.892 1
1 272 . 1 1 1 A 31 31 TYR H H 31 7.984 7.540 0.444 1
1 273 . 1 1 1 A 31 31 TYR HA H 31 4.672 5.141 -0.469 1
1 280 . 1 1 1 A 31 31 TYR C C 31 172.283 173.122 -0.839 1
1 281 . 1 1 1 A 31 31 TYR CA C 31 55.483 55.543 -0.060 1
1 282 . 1 1 1 A 31 31 TYR CB C 31 39.058 38.317 0.741 1
1 287 . 1 1 1 A 31 31 TYR N N 31 115.568 117.700 -2.132 1
1 288 . 1 1 1 A 32 32 PRO HA H 32 4.249 4.697 -0.448 1
1 295 . 1 1 1 A 32 32 PRO C C 32 176.871 176.335 0.536 1
1 296 . 1 1 1 A 32 32 PRO CA C 32 62.710 62.828 -0.118 1
1 297 . 1 1 1 A 32 32 PRO CB C 32 29.959 32.601 -2.642 1
1 300 . 1 1 1 A 33 33 LYS H H 33 9.168 8.628 0.540 1
1 301 . 1 1 1 A 33 33 LYS HA H 33 4.426 4.812 -0.386 1
1 310 . 1 1 1 A 33 33 LYS C C 33 178.061 177.868 0.193 1
1 311 . 1 1 1 A 33 33 LYS CA C 33 55.236 55.013 0.223 1
1 312 . 1 1 1 A 33 33 LYS CB C 33 33.980 34.177 -0.197 1
1 316 . 1 1 1 A 33 33 LYS N N 33 121.451 120.895 0.556 1
1 317 . 1 1 1 A 34 34 ASP H H 34 9.017 9.143 -0.126 1
1 318 . 1 1 1 A 34 34 ASP HA H 34 4.566 4.225 0.341 1
1 321 . 1 1 1 A 34 34 ASP C C 34 179.007 177.785 1.222 1
1 322 . 1 1 1 A 34 34 ASP CA C 34 58.973 58.137 0.836 1
1 323 . 1 1 1 A 34 34 ASP CB C 34 39.834 41.118 -1.284 1
1 324 . 1 1 1 A 34 34 ASP N N 34 122.268 123.797 -1.529 1
1 325 . 1 1 1 A 35 35 ASP H H 35 8.955 8.308 0.647 1
1 326 . 1 1 1 A 35 35 ASP HA H 35 4.408 4.318 0.090 1
1 329 . 1 1 1 A 35 35 ASP C C 35 178.837 178.747 0.090 1
1 330 . 1 1 1 A 35 35 ASP CA C 35 56.611 57.969 -1.358 1
1 331 . 1 1 1 A 35 35 ASP CB C 35 39.609 41.451 -1.842 1
1 332 . 1 1 1 A 35 35 ASP N N 35 116.861 118.891 -2.030 1
1 333 . 1 1 1 A 36 36 GLU H H 36 7.208 7.914 -0.706 1
1 334 . 1 1 1 A 36 36 GLU HA H 36 4.051 4.025 0.026 1
1 339 . 1 1 1 A 36 36 GLU C C 36 179.226 179.126 0.100 1
1 340 . 1 1 1 A 36 36 GLU CA C 36 58.761 59.139 -0.378 1
1 341 . 1 1 1 A 36 36 GLU CB C 36 29.689 29.324 0.365 1
1 343 . 1 1 1 A 36 36 GLU N N 36 121.585 118.725 2.860 1
1 344 . 1 1 1 A 37 37 PHE H H 37 7.997 8.564 -0.567 1
1 345 . 1 1 1 A 37 37 PHE HA H 37 4.164 3.977 0.187 1
1 353 . 1 1 1 A 37 37 PHE C C 37 178.400 178.151 0.249 1
1 354 . 1 1 1 A 37 37 PHE CA C 37 61.915 61.276 0.639 1
1 355 . 1 1 1 A 37 37 PHE CB C 37 38.320 38.147 0.173 1
1 361 . 1 1 1 A 37 37 PHE N N 37 118.258 119.110 -0.852 1
1 362 . 1 1 1 A 38 38 GLU H H 38 7.806 8.353 -0.547 1
1 363 . 1 1 1 A 38 38 GLU HA H 38 4.027 3.860 0.167 1
1 368 . 1 1 1 A 38 38 GLU C C 38 178.764 179.333 -0.569 1
1 369 . 1 1 1 A 38 38 GLU CA C 38 59.325 60.044 -0.719 1
1 370 . 1 1 1 A 38 38 GLU CB C 38 29.083 29.307 -0.224 1
1 372 . 1 1 1 A 38 38 GLU N N 38 118.433 119.149 -0.716 1
1 373 . 1 1 1 A 39 39 GLN H H 39 7.845 8.299 -0.454 1
1 374 . 1 1 1 A 39 39 GLN HA H 39 4.149 3.916 0.233 1
1 381 . 1 1 1 A 39 39 GLN C C 39 179.541 178.839 0.702 1
1 382 . 1 1 1 A 39 39 GLN CA C 39 59.184 59.016 0.168 1
1 383 . 1 1 1 A 39 39 GLN CB C 39 28.097 28.110 -0.013 1
1 385 . 1 1 1 A 39 39 GLN N N 39 119.859 118.899 0.960 1
1 387 . 1 1 1 A 40 40 LEU H H 40 8.130 7.491 0.639 1
1 388 . 1 1 1 A 40 40 LEU HA H 40 3.938 4.048 -0.110 1
1 398 . 1 1 1 A 40 40 LEU C C 40 178.158 179.203 -1.045 1
1 399 . 1 1 1 A 40 40 LEU CA C 40 58.092 57.582 0.510 1
1 400 . 1 1 1 A 40 40 LEU CB C 40 43.194 40.974 2.220 1
1 404 . 1 1 1 A 40 40 LEU N N 40 120.785 120.118 0.667 1
1 405 . 1 1 1 A 41 41 SER H H 41 8.241 7.990 0.251 1
1 406 . 1 1 1 A 41 41 SER HA H 41 4.251 4.352 -0.101 1
1 409 . 1 1 1 A 41 41 SER C C 41 177.891 177.005 0.886 1
1 410 . 1 1 1 A 41 41 SER CA C 41 61.194 61.199 -0.005 1
1 411 . 1 1 1 A 41 41 SER CB C 41 63.501 63.145 0.356 1
1 412 . 1 1 1 A 41 41 SER N N 41 114.804 114.228 0.576 1
1 413 . 1 1 1 A 42 42 ASN H H 42 7.969 8.198 -0.229 1
1 414 . 1 1 1 A 42 42 ASN HA H 42 4.515 4.631 -0.116 1
1 419 . 1 1 1 A 42 42 ASN C C 42 177.381 178.051 -0.670 1
1 420 . 1 1 1 A 42 42 ASN CA C 42 55.871 56.331 -0.460 1
1 421 . 1 1 1 A 42 42 ASN CB C 42 38.920 38.823 0.097 1
1 422 . 1 1 1 A 42 42 ASN N N 42 118.051 119.473 -1.422 1
1 424 . 1 1 1 A 43 43 LEU H H 43 8.169 7.541 0.628 1
1 425 . 1 1 1 A 43 43 LEU HA H 43 4.189 4.145 0.044 1
1 435 . 1 1 1 A 43 43 LEU C C 43 178.837 178.707 0.130 1
1 436 . 1 1 1 A 43 43 LEU CA C 43 57.845 58.069 -0.224 1
1 437 . 1 1 1 A 43 43 LEU CB C 43 43.382 42.034 1.348 1
1 441 . 1 1 1 A 43 43 LEU N N 43 120.419 121.148 -0.729 1
1 442 . 1 1 1 A 44 44 LEU H H 44 8.185 8.060 0.125 1
1 443 . 1 1 1 A 44 44 LEU HA H 44 4.445 4.191 0.254 1
1 453 . 1 1 1 A 44 44 LEU C C 44 176.677 176.035 0.642 1
1 454 . 1 1 1 A 44 44 LEU CA C 44 54.397 55.085 -0.688 1
1 455 . 1 1 1 A 44 44 LEU CB C 44 43.111 42.088 1.023 1
1 459 . 1 1 1 A 44 44 LEU N N 44 113.030 118.231 -5.201 1
1 460 . 1 1 1 A 45 45 ASN H H 45 8.100 8.027 0.073 1
1 461 . 1 1 1 A 45 45 ASN HA H 45 4.440 4.678 -0.238 1
1 466 . 1 1 1 A 45 45 ASN C C 45 174.395 173.643 0.752 1
1 467 . 1 1 1 A 45 45 ASN CA C 45 54.073 54.495 -0.422 1
1 468 . 1 1 1 A 45 45 ASN CB C 45 36.970 36.753 0.217 1
1 469 . 1 1 1 A 45 45 ASN N N 45 117.438 115.446 1.992 1
1 471 . 1 1 1 A 46 46 LEU H H 46 7.476 7.693 -0.217 1
1 472 . 1 1 1 A 46 46 LEU HA H 46 4.980 4.834 0.146 1
1 482 . 1 1 1 A 46 46 LEU C C 46 173.691 174.611 -0.920 1
1 483 . 1 1 1 A 46 46 LEU CA C 46 51.032 51.677 -0.645 1
1 484 . 1 1 1 A 46 46 LEU CB C 46 46.668 44.102 2.566 1
1 488 . 1 1 1 A 46 46 LEU N N 46 117.604 119.247 -1.643 1
1 489 . 1 1 1 A 47 47 PRO HA H 47 4.515 4.675 -0.160 1
1 496 . 1 1 1 A 47 47 PRO C C 47 177.915 177.647 0.268 1
1 497 . 1 1 1 A 47 47 PRO CA C 47 62.392 62.859 -0.467 1
1 498 . 1 1 1 A 47 47 PRO CB C 47 32.592 31.786 0.806 1
1 501 . 1 1 1 A 48 48 THR H H 48 8.818 8.686 0.132 1
1 502 . 1 1 1 A 48 48 THR HA H 48 3.590 4.001 -0.411 1
1 507 . 1 1 1 A 48 48 THR C C 48 176.628 176.021 0.607 1
1 508 . 1 1 1 A 48 48 THR CA C 48 67.384 65.575 1.809 1
1 509 . 1 1 1 A 48 48 THR CB C 48 67.996 68.480 -0.484 1
1 511 . 1 1 1 A 48 48 THR N N 48 120.240 118.818 1.422 1
1 512 . 1 1 1 A 49 49 ARG H H 49 8.750 8.269 0.481 1
1 513 . 1 1 1 A 49 49 ARG HA H 49 3.899 4.075 -0.176 1
1 520 . 1 1 1 A 49 49 ARG C C 49 178.012 178.375 -0.363 1
1 521 . 1 1 1 A 49 49 ARG CA C 49 59.079 58.718 0.361 1
1 522 . 1 1 1 A 49 49 ARG CB C 49 29.474 30.085 -0.611 1
1 525 . 1 1 1 A 49 49 ARG N N 49 117.541 120.972 -3.431 1
1 526 . 1 1 1 A 50 50 VAL H H 50 6.994 8.135 -1.141 1
1 527 . 1 1 1 A 50 50 VAL HA H 50 3.885 3.743 0.142 1
1 535 . 1 1 1 A 50 50 VAL C C 50 178.400 178.299 0.101 1
1 536 . 1 1 1 A 50 50 VAL CA C 50 65.099 66.327 -1.228 1
1 537 . 1 1 1 A 50 50 VAL CB C 50 31.909 31.695 0.214 1
1 540 . 1 1 1 A 50 50 VAL N N 50 115.765 120.393 -4.628 1
1 541 . 1 1 1 A 51 51 ILE H H 51 7.358 8.078 -0.720 1
1 542 . 1 1 1 A 51 51 ILE HA H 51 3.814 3.894 -0.080 1
1 552 . 1 1 1 A 51 51 ILE C C 51 177.648 178.749 -1.101 1
1 553 . 1 1 1 A 51 51 ILE CA C 51 65.318 64.397 0.921 1
1 554 . 1 1 1 A 51 51 ILE CB C 51 38.017 36.623 1.394 1
1 558 . 1 1 1 A 51 51 ILE N N 51 122.170 120.165 2.005 1
1 559 . 1 1 1 A 52 52 VAL H H 52 8.401 8.581 -0.180 1
1 560 . 1 1 1 A 52 52 VAL HA H 52 3.290 3.715 -0.425 1
1 568 . 1 1 1 A 52 52 VAL C C 52 179.177 178.158 1.019 1
1 569 . 1 1 1 A 52 52 VAL CA C 52 67.021 66.958 0.063 1
1 570 . 1 1 1 A 52 52 VAL CB C 52 31.583 31.653 -0.070 1
1 573 . 1 1 1 A 52 52 VAL N N 52 121.321 121.562 -0.241 1
1 574 . 1 1 1 A 53 53 VAL H H 53 7.691 7.718 -0.027 1
1 575 . 1 1 1 A 53 53 VAL HA H 53 3.711 3.746 -0.035 1
1 583 . 1 1 1 A 53 53 VAL C C 53 177.648 178.271 -0.623 1
1 584 . 1 1 1 A 53 53 VAL CA C 53 66.531 66.456 0.075 1
1 585 . 1 1 1 A 53 53 VAL CB C 53 31.936 31.615 0.321 1
1 588 . 1 1 1 A 53 53 VAL N N 53 119.305 119.493 -0.188 1
1 589 . 1 1 1 A 54 54 TRP H H 54 8.127 7.996 0.131 1
1 590 . 1 1 1 A 54 54 TRP HA H 54 4.016 4.306 -0.290 1
1 599 . 1 1 1 A 54 54 TRP C C 54 180.100 178.422 1.678 1
1 600 . 1 1 1 A 54 54 TRP CA C 54 63.534 61.322 2.212 1
1 601 . 1 1 1 A 54 54 TRP CB C 54 28.747 29.513 -0.766 1
1 607 . 1 1 1 A 54 54 TRP N N 54 122.197 121.684 0.513 1
1 609 . 1 1 1 A 55 55 PHE H H 55 8.964 8.720 0.244 1
1 610 . 1 1 1 A 55 55 PHE HA H 55 3.843 4.503 -0.660 1
1 618 . 1 1 1 A 55 55 PHE C C 55 178.158 178.495 -0.337 1
1 619 . 1 1 1 A 55 55 PHE CA C 55 63.309 62.547 0.762 1
1 620 . 1 1 1 A 55 55 PHE CB C 55 39.818 38.967 0.851 1
1 626 . 1 1 1 A 55 55 PHE N N 55 119.663 118.762 0.901 1
1 627 . 1 1 1 A 56 56 GLN H H 56 8.412 8.836 -0.424 1
1 628 . 1 1 1 A 56 56 GLN HA H 56 3.984 4.020 -0.036 1
1 635 . 1 1 1 A 56 56 GLN C C 56 179.420 179.052 0.368 1
1 636 . 1 1 1 A 56 56 GLN CA C 56 59.678 59.263 0.415 1
1 637 . 1 1 1 A 56 56 GLN CB C 56 27.981 28.277 -0.296 1
1 639 . 1 1 1 A 56 56 GLN N N 56 118.932 117.799 1.133 1
1 641 . 1 1 1 A 57 57 ASN H H 57 8.358 7.783 0.575 1
1 642 . 1 1 1 A 57 57 ASN HA H 57 4.302 4.487 -0.185 1
1 647 . 1 1 1 A 57 57 ASN C C 57 177.308 177.601 -0.293 1
1 648 . 1 1 1 A 57 57 ASN CA C 57 55.836 56.085 -0.249 1
1 649 . 1 1 1 A 57 57 ASN CB C 57 38.123 38.457 -0.334 1
1 650 . 1 1 1 A 57 57 ASN N N 57 118.552 118.443 0.109 1
1 652 . 1 1 1 A 58 58 ALA H H 58 8.097 7.810 0.287 1
1 653 . 1 1 1 A 58 58 ALA HA H 58 3.280 3.492 -0.212 1
1 657 . 1 1 1 A 58 58 ALA C C 58 180.512 179.856 0.656 1
1 658 . 1 1 1 A 58 58 ALA CA C 58 54.711 54.626 0.085 1
1 659 . 1 1 1 A 58 58 ALA CB C 58 16.685 17.548 -0.863 1
1 660 . 1 1 1 A 58 58 ALA N N 58 125.426 121.755 3.671 1
1 661 . 1 1 1 A 59 59 ARG H H 59 8.104 7.551 0.553 1
1 662 . 1 1 1 A 59 59 ARG HA H 59 4.159 4.376 -0.217 1
1 669 . 1 1 1 A 59 59 ARG C C 59 178.570 179.080 -0.510 1
1 670 . 1 1 1 A 59 59 ARG CA C 59 59.916 59.785 0.131 1
1 671 . 1 1 1 A 59 59 ARG CB C 59 31.344 30.189 1.155 1
1 674 . 1 1 1 A 59 59 ARG N N 59 117.308 117.436 -0.128 1
1 675 . 1 1 1 A 60 60 GLN H H 60 7.532 8.041 -0.509 1
1 676 . 1 1 1 A 60 60 GLN HA H 60 4.118 4.051 0.067 1
1 683 . 1 1 1 A 60 60 GLN C C 60 178.036 179.086 -1.050 1
1 684 . 1 1 1 A 60 60 GLN CA C 60 58.021 58.763 -0.742 1
1 685 . 1 1 1 A 60 60 GLN CB C 60 28.460 28.447 0.013 1
1 687 . 1 1 1 A 60 60 GLN N N 60 118.195 118.570 -0.375 1
1 689 . 1 1 1 A 61 61 LYS H H 61 7.738 8.103 -0.365 1
1 690 . 1 1 1 A 61 61 LYS HA H 61 4.038 4.029 0.009 1
1 699 . 1 1 1 A 61 61 LYS C C 61 177.454 178.757 -1.303 1
1 700 . 1 1 1 A 61 61 LYS CA C 61 57.938 59.107 -1.169 1
1 701 . 1 1 1 A 61 61 LYS CB C 61 32.497 31.680 0.817 1
1 705 . 1 1 1 A 61 61 LYS N N 61 119.476 118.807 0.669 1
1 706 . 1 1 1 A 62 62 ALA H H 62 7.699 7.495 0.204 1
1 707 . 1 1 1 A 62 62 ALA HA H 62 4.265 4.186 0.079 1
1 711 . 1 1 1 A 62 62 ALA C C 62 177.818 178.435 -0.617 1
1 712 . 1 1 1 A 62 62 ALA CA C 62 52.945 54.971 -2.026 1
1 713 . 1 1 1 A 62 62 ALA CB C 62 18.904 18.268 0.636 1
1 714 . 1 1 1 A 62 62 ALA N N 62 121.322 121.645 -0.323 1
1 715 . 1 1 1 A 63 63 ARG H H 63 7.831 7.813 0.018 1
1 716 . 1 1 1 A 63 63 ARG HA H 63 4.237 4.349 -0.112 1
1 722 . 1 1 1 A 63 63 ARG C C 63 176.580 176.167 0.413 1
1 723 . 1 1 1 A 63 63 ARG CA C 63 56.717 56.686 0.031 1
1 724 . 1 1 1 A 63 63 ARG CB C 63 30.124 31.190 -1.066 1
1 727 . 1 1 1 A 63 63 ARG N N 63 118.592 117.713 0.879 1
1 728 . 1 1 1 A 64 64 LYS H H 64 8.213 8.863 -0.650 1
1 729 . 1 1 1 A 64 64 LYS HA H 64 4.365 5.197 -0.832 1
1 738 . 1 1 1 A 64 64 LYS C C 64 176.677 174.599 2.078 1
1 739 . 1 1 1 A 64 64 LYS CA C 64 56.329 54.599 1.730 1
1 740 . 1 1 1 A 64 64 LYS CB C 64 32.906 36.354 -3.448 1
1 744 . 1 1 1 A 64 64 LYS N N 64 121.456 121.666 -0.210 1
1 745 . 1 1 1 A 65 65 SER H H 65 8.289 8.826 -0.537 1
1 746 . 1 1 1 A 65 65 SER HA H 65 4.510 5.354 -0.844 1
1 749 . 1 1 1 A 65 65 SER C C 65 174.492 172.950 1.542 1
1 750 . 1 1 1 A 65 65 SER CA C 65 58.303 56.487 1.816 1
1 751 . 1 1 1 A 65 65 SER CB C 65 64.052 66.529 -2.477 1
1 752 . 1 1 1 A 65 65 SER N N 65 116.719 114.294 2.425 1
1 753 . 1 1 1 A 66 66 GLY H H 66 8.242 8.341 -0.099 1
1 754 . 1 1 1 A 66 66 GLY HA2 H 66 4.120 4.182 -0.062 1
1 755 . 1 1 1 A 66 66 GLY HA3 H 66 4.148 4.183 -0.035 1
1 756 . 1 1 1 A 66 66 GLY C C 66 171.798 174.083 -2.285 1
1 757 . 1 1 1 A 66 66 GLY CA C 66 44.687 44.388 0.299 1
1 758 . 1 1 1 A 66 66 GLY N N 66 110.632 111.546 -0.914 1
1 759 . 1 1 1 A 67 67 PRO HA H 67 4.458 4.555 -0.097 1
1 766 . 1 1 1 A 67 67 PRO C C 67 177.429 176.433 0.996 1
1 767 . 1 1 1 A 67 67 PRO CA C 67 63.309 63.573 -0.264 1
1 768 . 1 1 1 A 67 67 PRO CB C 67 32.200 31.851 0.349 1
1 771 . 1 1 1 A 68 68 SER H H 68 8.535 7.694 0.841 1
1 772 . 1 1 1 A 68 68 SER HA H 68 4.482 4.405 0.077 1
1 775 . 1 1 1 A 68 68 SER C C 68 174.638 173.863 0.775 1
1 776 . 1 1 1 A 68 68 SER CA C 68 58.444 58.216 0.228 1
1 777 . 1 1 1 A 68 68 SER CB C 68 63.838 63.786 0.052 1
1 778 . 1 1 1 A 68 68 SER N N 68 116.359 113.601 2.758 1
1 779 . 1 1 1 A 69 69 SER H H 69 8.300 8.703 -0.403 1
1 780 . 1 1 1 A 69 69 SER HA H 69 4.477 5.012 -0.535 1
1 783 . 1 1 1 A 69 69 SER C C 69 173.934 172.827 1.107 1
1 784 . 1 1 1 A 69 69 SER CA C 69 58.374 56.646 1.728 1
1 785 . 1 1 1 A 69 69 SER CB C 69 64.134 65.396 -1.262 1
1 786 . 1 1 1 A 69 69 SER N N 69 117.715 117.652 0.063 1
1 1 . 2 1 1 A 10 10 SER HA H 10 4.461 4.899 -0.438 1
1 4 . 2 1 1 A 10 10 SER C C 10 174.492 173.041 1.451 1
1 5 . 2 1 1 A 10 10 SER CA C 10 58.479 56.606 1.873 1
1 6 . 2 1 1 A 10 10 SER CB C 10 63.932 64.870 -0.938 1
1 7 . 2 1 1 A 11 11 ARG H H 11 8.318 8.962 -0.644 1
1 8 . 2 1 1 A 11 11 ARG HA H 11 4.391 4.693 -0.302 1
1 15 . 2 1 1 A 11 11 ARG C C 11 176.264 175.181 1.083 1
1 16 . 2 1 1 A 11 11 ARG CA C 11 56.118 54.639 1.479 1
1 17 . 2 1 1 A 11 11 ARG CB C 11 30.849 30.333 0.516 1
1 20 . 2 1 1 A 11 11 ARG N N 11 122.795 126.297 -3.502 1
1 21 . 2 1 1 A 12 12 THR H H 12 8.159 8.701 -0.542 1
1 22 . 2 1 1 A 12 12 THR HA H 12 4.150 4.656 -0.506 1
1 27 . 2 1 1 A 12 12 THR C C 12 173.740 172.868 0.872 1
1 28 . 2 1 1 A 12 12 THR CA C 12 62.463 61.638 0.825 1
1 29 . 2 1 1 A 12 12 THR CB C 12 69.770 67.960 1.810 1
1 31 . 2 1 1 A 12 12 THR N N 12 117.261 121.875 -4.614 1
1 32 . 2 1 1 A 13 13 ARG H H 13 8.319 8.694 -0.375 1
1 33 . 2 1 1 A 13 13 ARG HA H 13 4.332 4.545 -0.213 1
1 40 . 2 1 1 A 13 13 ARG C C 13 175.560 175.868 -0.308 1
1 41 . 2 1 1 A 13 13 ARG CA C 13 55.518 55.726 -0.208 1
1 42 . 2 1 1 A 13 13 ARG CB C 13 30.763 30.649 0.114 1
1 45 . 2 1 1 A 13 13 ARG N N 13 125.163 127.909 -2.746 1
1 46 . 2 1 1 A 14 14 PHE H H 14 8.195 8.894 -0.699 1
1 47 . 2 1 1 A 14 14 PHE HA H 14 4.952 4.753 0.199 1
1 55 . 2 1 1 A 14 14 PHE C C 14 176.993 174.964 2.029 1
1 56 . 2 1 1 A 14 14 PHE CA C 14 56.859 57.906 -1.047 1
1 57 . 2 1 1 A 14 14 PHE CB C 14 41.107 40.588 0.519 1
1 63 . 2 1 1 A 14 14 PHE N N 14 121.558 126.637 -5.079 1
1 64 . 2 1 1 A 15 15 THR H H 15 8.999 8.266 0.733 1
1 65 . 2 1 1 A 15 15 THR HA H 15 4.491 4.899 -0.408 1
1 70 . 2 1 1 A 15 15 THR C C 15 174.856 175.332 -0.476 1
1 71 . 2 1 1 A 15 15 THR CA C 15 60.559 59.605 0.954 1
1 72 . 2 1 1 A 15 15 THR CB C 15 70.890 70.944 -0.054 1
1 74 . 2 1 1 A 15 15 THR N N 15 113.369 114.472 -1.103 1
1 75 . 2 1 1 A 16 16 ASP H H 16 8.906 9.260 -0.354 1
1 76 . 2 1 1 A 16 16 ASP HA H 16 4.333 4.271 0.062 1
1 79 . 2 1 1 A 16 16 ASP C C 16 178.764 177.907 0.857 1
1 80 . 2 1 1 A 16 16 ASP CA C 16 57.911 58.223 -0.312 1
1 81 . 2 1 1 A 16 16 ASP CB C 16 39.994 40.461 -0.467 1
1 82 . 2 1 1 A 16 16 ASP N N 16 120.884 127.449 -6.565 1
1 83 . 2 1 1 A 17 17 TYR H H 17 8.356 7.728 0.628 1
1 84 . 2 1 1 A 17 17 TYR HA H 17 4.211 4.091 0.120 1
1 91 . 2 1 1 A 17 17 TYR C C 17 176.264 178.033 -1.769 1
1 92 . 2 1 1 A 17 17 TYR CA C 17 61.045 61.801 -0.756 1
1 93 . 2 1 1 A 17 17 TYR CB C 17 38.666 38.847 -0.181 1
1 98 . 2 1 1 A 17 17 TYR N N 17 119.909 122.113 -2.204 1
1 99 . 2 1 1 A 18 18 GLN H H 18 7.582 8.368 -0.786 1
1 100 . 2 1 1 A 18 18 GLN HA H 18 3.482 3.622 -0.140 1
1 107 . 2 1 1 A 18 18 GLN C C 18 177.502 178.319 -0.817 1
1 108 . 2 1 1 A 18 18 GLN CA C 18 58.726 58.605 0.121 1
1 109 . 2 1 1 A 18 18 GLN CB C 18 27.717 28.365 -0.648 1
1 111 . 2 1 1 A 18 18 GLN N N 18 116.647 118.671 -2.024 1
1 113 . 2 1 1 A 19 19 LEU H H 19 8.170 8.638 -0.468 1
1 114 . 2 1 1 A 19 19 LEU HA H 19 3.508 3.650 -0.142 1
1 124 . 2 1 1 A 19 19 LEU C C 19 178.546 179.245 -0.699 1
1 125 . 2 1 1 A 19 19 LEU CA C 19 57.625 57.764 -0.139 1
1 126 . 2 1 1 A 19 19 LEU CB C 19 41.812 41.263 0.549 1
1 130 . 2 1 1 A 19 19 LEU N N 19 115.406 119.864 -4.458 1
1 131 . 2 1 1 A 20 20 ARG H H 20 7.792 8.124 -0.332 1
1 132 . 2 1 1 A 20 20 ARG HA H 20 3.917 3.961 -0.044 1
1 138 . 2 1 1 A 20 20 ARG C C 20 178.036 178.775 -0.739 1
1 139 . 2 1 1 A 20 20 ARG CA C 20 59.026 59.221 -0.195 1
1 140 . 2 1 1 A 20 20 ARG CB C 20 29.861 29.829 0.032 1
1 143 . 2 1 1 A 20 20 ARG N N 20 120.360 120.222 0.138 1
1 144 . 2 1 1 A 21 21 VAL H H 21 7.601 7.312 0.289 1
1 145 . 2 1 1 A 21 21 VAL HA H 21 3.533 3.598 -0.065 1
1 153 . 2 1 1 A 21 21 VAL C C 21 179.541 178.321 1.220 1
1 154 . 2 1 1 A 21 21 VAL CA C 21 66.327 66.201 0.126 1
1 155 . 2 1 1 A 21 21 VAL CB C 21 31.509 31.400 0.109 1
1 158 . 2 1 1 A 21 21 VAL N N 21 119.151 118.796 0.355 1
1 159 . 2 1 1 A 22 22 LEU H H 22 7.898 8.154 -0.256 1
1 160 . 2 1 1 A 22 22 LEU HA H 22 3.513 3.794 -0.281 1
1 170 . 2 1 1 A 22 22 LEU C C 22 177.527 179.089 -1.562 1
1 171 . 2 1 1 A 22 22 LEU CA C 22 58.181 58.077 0.104 1
1 172 . 2 1 1 A 22 22 LEU CB C 22 38.573 40.570 -1.997 1
1 176 . 2 1 1 A 22 22 LEU N N 22 119.825 119.863 -0.038 1
1 177 . 2 1 1 A 23 23 GLN H H 23 8.171 8.276 -0.105 1
1 178 . 2 1 1 A 23 23 GLN HA H 23 3.925 3.956 -0.031 1
1 185 . 2 1 1 A 23 23 GLN C C 23 178.061 177.521 0.540 1
1 186 . 2 1 1 A 23 23 GLN CA C 23 58.832 58.925 -0.093 1
1 187 . 2 1 1 A 23 23 GLN CB C 23 28.769 28.539 0.230 1
1 189 . 2 1 1 A 23 23 GLN N N 23 118.186 118.066 0.120 1
1 191 . 2 1 1 A 24 24 ASP H H 24 8.446 8.160 0.286 1
1 192 . 2 1 1 A 24 24 ASP HA H 24 4.373 4.438 -0.065 1
1 195 . 2 1 1 A 24 24 ASP C C 24 179.347 178.616 0.731 1
1 196 . 2 1 1 A 24 24 ASP CA C 24 57.294 57.253 0.041 1
1 197 . 2 1 1 A 24 24 ASP CB C 24 40.035 41.002 -0.967 1
1 198 . 2 1 1 A 24 24 ASP N N 24 118.634 119.574 -0.940 1
1 199 . 2 1 1 A 25 25 PHE H H 25 8.224 8.170 0.054 1
1 200 . 2 1 1 A 25 25 PHE HA H 25 4.062 4.297 -0.235 1
1 208 . 2 1 1 A 25 25 PHE C C 25 177.891 177.639 0.252 1
1 209 . 2 1 1 A 25 25 PHE CA C 25 61.546 60.897 0.649 1
1 210 . 2 1 1 A 25 25 PHE CB C 25 39.246 39.055 0.191 1
1 216 . 2 1 1 A 25 25 PHE N N 25 121.633 119.859 1.774 1
1 217 . 2 1 1 A 26 26 PHE H H 26 9.167 8.253 0.914 1
1 218 . 2 1 1 A 26 26 PHE HA H 26 4.302 4.579 -0.277 1
1 226 . 2 1 1 A 26 26 PHE C C 26 176.531 176.978 -0.447 1
1 227 . 2 1 1 A 26 26 PHE CA C 26 61.476 61.437 0.039 1
1 228 . 2 1 1 A 26 26 PHE CB C 26 39.471 38.904 0.567 1
1 234 . 2 1 1 A 26 26 PHE N N 26 121.265 120.010 1.255 1
1 235 . 2 1 1 A 27 27 ASP H H 27 8.654 8.448 0.206 1
1 236 . 2 1 1 A 27 27 ASP HA H 27 4.238 4.473 -0.235 1
1 239 . 2 1 1 A 27 27 ASP C C 27 177.429 177.357 0.072 1
1 240 . 2 1 1 A 27 27 ASP CA C 27 56.717 57.479 -0.762 1
1 241 . 2 1 1 A 27 27 ASP CB C 27 40.406 41.984 -1.578 1
1 242 . 2 1 1 A 27 27 ASP N N 27 116.555 119.380 -2.825 1
1 243 . 2 1 1 A 28 28 ALA H H 28 7.262 7.718 -0.456 1
1 244 . 2 1 1 A 28 28 ALA HA H 28 4.316 4.307 0.009 1
1 248 . 2 1 1 A 28 28 ALA C C 28 177.891 177.403 0.488 1
1 249 . 2 1 1 A 28 28 ALA CA C 28 52.839 53.447 -0.608 1
1 250 . 2 1 1 A 28 28 ALA CB C 28 19.698 19.939 -0.241 1
1 251 . 2 1 1 A 28 28 ALA N N 28 120.441 119.281 1.160 1
1 252 . 2 1 1 A 29 29 ASN H H 29 8.346 8.351 -0.005 1
1 253 . 2 1 1 A 29 29 ASN HA H 29 4.432 5.049 -0.617 1
1 258 . 2 1 1 A 29 29 ASN C C 29 172.259 174.446 -2.187 1
1 259 . 2 1 1 A 29 29 ASN CA C 29 52.943 52.594 0.349 1
1 260 . 2 1 1 A 29 29 ASN CB C 29 38.435 41.499 -3.064 1
1 261 . 2 1 1 A 29 29 ASN N N 29 118.701 114.745 3.956 1
1 263 . 2 1 1 A 30 30 ALA H H 30 8.177 8.614 -0.437 1
1 264 . 2 1 1 A 30 30 ALA HA H 30 4.010 4.751 -0.741 1
1 268 . 2 1 1 A 30 30 ALA C C 30 176.798 176.686 0.112 1
1 269 . 2 1 1 A 30 30 ALA CA C 30 52.980 50.896 2.084 1
1 270 . 2 1 1 A 30 30 ALA CB C 30 19.233 19.401 -0.168 1
1 271 . 2 1 1 A 30 30 ALA N N 30 124.112 127.447 -3.335 1
1 272 . 2 1 1 A 31 31 TYR H H 31 7.984 7.818 0.166 1
1 273 . 2 1 1 A 31 31 TYR HA H 31 4.672 5.164 -0.492 1
1 280 . 2 1 1 A 31 31 TYR C C 31 172.283 173.142 -0.859 1
1 281 . 2 1 1 A 31 31 TYR CA C 31 55.483 55.536 -0.053 1
1 282 . 2 1 1 A 31 31 TYR CB C 31 39.058 38.333 0.725 1
1 287 . 2 1 1 A 31 31 TYR N N 31 115.568 117.734 -2.166 1
1 288 . 2 1 1 A 32 32 PRO HA H 32 4.249 4.705 -0.456 1
1 295 . 2 1 1 A 32 32 PRO C C 32 176.871 176.604 0.267 1
1 296 . 2 1 1 A 32 32 PRO CA C 32 62.710 62.862 -0.152 1
1 297 . 2 1 1 A 32 32 PRO CB C 32 29.959 32.576 -2.617 1
1 300 . 2 1 1 A 33 33 LYS H H 33 9.168 8.710 0.458 1
1 301 . 2 1 1 A 33 33 LYS HA H 33 4.426 4.813 -0.387 1
1 310 . 2 1 1 A 33 33 LYS C C 33 178.061 177.710 0.351 1
1 311 . 2 1 1 A 33 33 LYS CA C 33 55.236 55.059 0.177 1
1 312 . 2 1 1 A 33 33 LYS CB C 33 33.980 33.882 0.098 1
1 316 . 2 1 1 A 33 33 LYS N N 33 121.451 121.214 0.237 1
1 317 . 2 1 1 A 34 34 ASP H H 34 9.017 9.177 -0.160 1
1 318 . 2 1 1 A 34 34 ASP HA H 34 4.566 4.379 0.187 1
1 321 . 2 1 1 A 34 34 ASP C C 34 179.007 177.918 1.089 1
1 322 . 2 1 1 A 34 34 ASP CA C 34 58.973 57.133 1.840 1
1 323 . 2 1 1 A 34 34 ASP CB C 34 39.834 40.112 -0.278 1
1 324 . 2 1 1 A 34 34 ASP N N 34 122.268 121.748 0.520 1
1 325 . 2 1 1 A 35 35 ASP H H 35 8.955 8.343 0.612 1
1 326 . 2 1 1 A 35 35 ASP HA H 35 4.408 4.317 0.091 1
1 329 . 2 1 1 A 35 35 ASP C C 35 178.837 178.718 0.119 1
1 330 . 2 1 1 A 35 35 ASP CA C 35 56.611 57.970 -1.359 1
1 331 . 2 1 1 A 35 35 ASP CB C 35 39.609 41.589 -1.980 1
1 332 . 2 1 1 A 35 35 ASP N N 35 116.861 119.896 -3.035 1
1 333 . 2 1 1 A 36 36 GLU H H 36 7.208 7.913 -0.705 1
1 334 . 2 1 1 A 36 36 GLU HA H 36 4.051 4.023 0.028 1
1 339 . 2 1 1 A 36 36 GLU C C 36 179.226 179.127 0.099 1
1 340 . 2 1 1 A 36 36 GLU CA C 36 58.761 59.153 -0.392 1
1 341 . 2 1 1 A 36 36 GLU CB C 36 29.689 29.313 0.376 1
1 343 . 2 1 1 A 36 36 GLU N N 36 121.585 118.700 2.885 1
1 344 . 2 1 1 A 37 37 PHE H H 37 7.997 8.498 -0.501 1
1 345 . 2 1 1 A 37 37 PHE HA H 37 4.164 3.970 0.194 1
1 353 . 2 1 1 A 37 37 PHE C C 37 178.400 178.148 0.252 1
1 354 . 2 1 1 A 37 37 PHE CA C 37 61.915 61.263 0.652 1
1 355 . 2 1 1 A 37 37 PHE CB C 37 38.320 38.139 0.181 1
1 361 . 2 1 1 A 37 37 PHE N N 37 118.258 119.108 -0.850 1
1 362 . 2 1 1 A 38 38 GLU H H 38 7.806 8.306 -0.500 1
1 363 . 2 1 1 A 38 38 GLU HA H 38 4.027 3.875 0.152 1
1 368 . 2 1 1 A 38 38 GLU C C 38 178.764 179.291 -0.527 1
1 369 . 2 1 1 A 38 38 GLU CA C 38 59.325 60.025 -0.700 1
1 370 . 2 1 1 A 38 38 GLU CB C 38 29.083 29.164 -0.081 1
1 372 . 2 1 1 A 38 38 GLU N N 38 118.433 119.146 -0.713 1
1 373 . 2 1 1 A 39 39 GLN H H 39 7.845 8.308 -0.463 1
1 374 . 2 1 1 A 39 39 GLN HA H 39 4.149 3.935 0.214 1
1 381 . 2 1 1 A 39 39 GLN C C 39 179.541 178.715 0.826 1
1 382 . 2 1 1 A 39 39 GLN CA C 39 59.184 58.954 0.230 1
1 383 . 2 1 1 A 39 39 GLN CB C 39 28.097 28.024 0.073 1
1 385 . 2 1 1 A 39 39 GLN N N 39 119.859 119.029 0.830 1
1 387 . 2 1 1 A 40 40 LEU H H 40 8.130 7.422 0.708 1
1 388 . 2 1 1 A 40 40 LEU HA H 40 3.938 4.055 -0.117 1
1 398 . 2 1 1 A 40 40 LEU C C 40 178.158 178.730 -0.572 1
1 399 . 2 1 1 A 40 40 LEU CA C 40 58.092 57.471 0.621 1
1 400 . 2 1 1 A 40 40 LEU CB C 40 43.194 41.328 1.866 1
1 404 . 2 1 1 A 40 40 LEU N N 40 120.785 120.058 0.727 1
1 405 . 2 1 1 A 41 41 SER H H 41 8.241 8.048 0.193 1
1 406 . 2 1 1 A 41 41 SER HA H 41 4.251 4.417 -0.166 1
1 409 . 2 1 1 A 41 41 SER C C 41 177.891 176.910 0.981 1
1 410 . 2 1 1 A 41 41 SER CA C 41 61.194 61.277 -0.083 1
1 411 . 2 1 1 A 41 41 SER CB C 41 63.501 63.115 0.386 1
1 412 . 2 1 1 A 41 41 SER N N 41 114.804 114.042 0.762 1
1 413 . 2 1 1 A 42 42 ASN H H 42 7.969 8.064 -0.095 1
1 414 . 2 1 1 A 42 42 ASN HA H 42 4.515 4.640 -0.125 1
1 419 . 2 1 1 A 42 42 ASN C C 42 177.381 178.045 -0.664 1
1 420 . 2 1 1 A 42 42 ASN CA C 42 55.871 56.288 -0.417 1
1 421 . 2 1 1 A 42 42 ASN CB C 42 38.920 38.722 0.198 1
1 422 . 2 1 1 A 42 42 ASN N N 42 118.051 119.328 -1.277 1
1 424 . 2 1 1 A 43 43 LEU H H 43 8.169 7.563 0.606 1
1 425 . 2 1 1 A 43 43 LEU HA H 43 4.189 4.107 0.082 1
1 435 . 2 1 1 A 43 43 LEU C C 43 178.837 178.765 0.072 1
1 436 . 2 1 1 A 43 43 LEU CA C 43 57.845 58.146 -0.301 1
1 437 . 2 1 1 A 43 43 LEU CB C 43 43.382 42.078 1.304 1
1 441 . 2 1 1 A 43 43 LEU N N 43 120.419 121.191 -0.772 1
1 442 . 2 1 1 A 44 44 LEU H H 44 8.185 8.072 0.113 1
1 443 . 2 1 1 A 44 44 LEU HA H 44 4.445 4.169 0.276 1
1 453 . 2 1 1 A 44 44 LEU C C 44 176.677 176.458 0.219 1
1 454 . 2 1 1 A 44 44 LEU CA C 44 54.397 54.975 -0.578 1
1 455 . 2 1 1 A 44 44 LEU CB C 44 43.111 42.159 0.952 1
1 459 . 2 1 1 A 44 44 LEU N N 44 113.030 118.198 -5.168 1
1 460 . 2 1 1 A 45 45 ASN H H 45 8.100 8.230 -0.130 1
1 461 . 2 1 1 A 45 45 ASN HA H 45 4.440 4.610 -0.170 1
1 466 . 2 1 1 A 45 45 ASN C C 45 174.395 173.828 0.567 1
1 467 . 2 1 1 A 45 45 ASN CA C 45 54.073 54.465 -0.392 1
1 468 . 2 1 1 A 45 45 ASN CB C 45 36.970 37.667 -0.697 1
1 469 . 2 1 1 A 45 45 ASN N N 45 117.438 117.811 -0.373 1
1 471 . 2 1 1 A 46 46 LEU H H 46 7.476 7.433 0.043 1
1 472 . 2 1 1 A 46 46 LEU HA H 46 4.980 4.826 0.154 1
1 482 . 2 1 1 A 46 46 LEU C C 46 173.691 174.691 -1.000 1
1 483 . 2 1 1 A 46 46 LEU CA C 46 51.032 51.713 -0.681 1
1 484 . 2 1 1 A 46 46 LEU CB C 46 46.668 43.880 2.788 1
1 488 . 2 1 1 A 46 46 LEU N N 46 117.604 119.658 -2.054 1
1 489 . 2 1 1 A 47 47 PRO HA H 47 4.515 4.662 -0.147 1
1 496 . 2 1 1 A 47 47 PRO C C 47 177.915 177.662 0.253 1
1 497 . 2 1 1 A 47 47 PRO CA C 47 62.392 62.971 -0.579 1
1 498 . 2 1 1 A 47 47 PRO CB C 47 32.592 31.988 0.604 1
1 501 . 2 1 1 A 48 48 THR H H 48 8.818 8.675 0.143 1
1 502 . 2 1 1 A 48 48 THR HA H 48 3.590 3.986 -0.396 1
1 507 . 2 1 1 A 48 48 THR C C 48 176.628 175.951 0.677 1
1 508 . 2 1 1 A 48 48 THR CA C 48 67.384 65.495 1.889 1
1 509 . 2 1 1 A 48 48 THR CB C 48 67.996 68.341 -0.345 1
1 511 . 2 1 1 A 48 48 THR N N 48 120.240 118.347 1.893 1
1 512 . 2 1 1 A 49 49 ARG H H 49 8.750 8.290 0.460 1
1 513 . 2 1 1 A 49 49 ARG HA H 49 3.899 4.043 -0.144 1
1 520 . 2 1 1 A 49 49 ARG C C 49 178.012 177.990 0.022 1
1 521 . 2 1 1 A 49 49 ARG CA C 49 59.079 58.459 0.620 1
1 522 . 2 1 1 A 49 49 ARG CB C 49 29.474 29.998 -0.524 1
1 525 . 2 1 1 A 49 49 ARG N N 49 117.541 120.928 -3.387 1
1 526 . 2 1 1 A 50 50 VAL H H 50 6.994 8.021 -1.027 1
1 527 . 2 1 1 A 50 50 VAL HA H 50 3.885 3.806 0.079 1
1 535 . 2 1 1 A 50 50 VAL C C 50 178.400 178.517 -0.117 1
1 536 . 2 1 1 A 50 50 VAL CA C 50 65.099 66.040 -0.941 1
1 537 . 2 1 1 A 50 50 VAL CB C 50 31.909 31.706 0.203 1
1 540 . 2 1 1 A 50 50 VAL N N 50 115.765 120.124 -4.359 1
1 541 . 2 1 1 A 51 51 ILE H H 51 7.358 7.899 -0.541 1
1 542 . 2 1 1 A 51 51 ILE HA H 51 3.814 3.901 -0.087 1
1 552 . 2 1 1 A 51 51 ILE C C 51 177.648 178.903 -1.255 1
1 553 . 2 1 1 A 51 51 ILE CA C 51 65.318 63.974 1.344 1
1 554 . 2 1 1 A 51 51 ILE CB C 51 38.017 36.871 1.146 1
1 558 . 2 1 1 A 51 51 ILE N N 51 122.170 120.130 2.040 1
1 559 . 2 1 1 A 52 52 VAL H H 52 8.401 8.571 -0.170 1
1 560 . 2 1 1 A 52 52 VAL HA H 52 3.290 3.624 -0.334 1
1 568 . 2 1 1 A 52 52 VAL C C 52 179.177 178.157 1.020 1
1 569 . 2 1 1 A 52 52 VAL CA C 52 67.021 66.867 0.154 1
1 570 . 2 1 1 A 52 52 VAL CB C 52 31.583 31.637 -0.054 1
1 573 . 2 1 1 A 52 52 VAL N N 52 121.321 122.163 -0.842 1
1 574 . 2 1 1 A 53 53 VAL H H 53 7.691 7.540 0.151 1
1 575 . 2 1 1 A 53 53 VAL HA H 53 3.711 3.724 -0.013 1
1 583 . 2 1 1 A 53 53 VAL C C 53 177.648 178.240 -0.592 1
1 584 . 2 1 1 A 53 53 VAL CA C 53 66.531 66.444 0.087 1
1 585 . 2 1 1 A 53 53 VAL CB C 53 31.936 31.609 0.327 1
1 588 . 2 1 1 A 53 53 VAL N N 53 119.305 119.644 -0.339 1
1 589 . 2 1 1 A 54 54 TRP H H 54 8.127 7.843 0.284 1
1 590 . 2 1 1 A 54 54 TRP HA H 54 4.016 4.276 -0.260 1
1 599 . 2 1 1 A 54 54 TRP C C 54 180.100 178.536 1.564 1
1 600 . 2 1 1 A 54 54 TRP CA C 54 63.534 61.360 2.174 1
1 601 . 2 1 1 A 54 54 TRP CB C 54 28.747 29.560 -0.813 1
1 607 . 2 1 1 A 54 54 TRP N N 54 122.197 121.597 0.600 1
1 609 . 2 1 1 A 55 55 PHE H H 55 8.964 8.656 0.308 1
1 610 . 2 1 1 A 55 55 PHE HA H 55 3.843 4.562 -0.719 1
1 618 . 2 1 1 A 55 55 PHE C C 55 178.158 178.441 -0.283 1
1 619 . 2 1 1 A 55 55 PHE CA C 55 63.309 62.137 1.172 1
1 620 . 2 1 1 A 55 55 PHE CB C 55 39.818 38.995 0.823 1
1 626 . 2 1 1 A 55 55 PHE N N 55 119.663 118.350 1.313 1
1 627 . 2 1 1 A 56 56 GLN H H 56 8.412 8.784 -0.372 1
1 628 . 2 1 1 A 56 56 GLN HA H 56 3.984 3.959 0.025 1
1 635 . 2 1 1 A 56 56 GLN C C 56 179.420 179.203 0.217 1
1 636 . 2 1 1 A 56 56 GLN CA C 56 59.678 59.264 0.414 1
1 637 . 2 1 1 A 56 56 GLN CB C 56 27.981 28.366 -0.385 1
1 639 . 2 1 1 A 56 56 GLN N N 56 118.932 117.976 0.956 1
1 641 . 2 1 1 A 57 57 ASN H H 57 8.358 7.875 0.483 1
1 642 . 2 1 1 A 57 57 ASN HA H 57 4.302 4.468 -0.166 1
1 647 . 2 1 1 A 57 57 ASN C C 57 177.308 177.557 -0.249 1
1 648 . 2 1 1 A 57 57 ASN CA C 57 55.836 56.076 -0.240 1
1 649 . 2 1 1 A 57 57 ASN CB C 57 38.123 38.461 -0.338 1
1 650 . 2 1 1 A 57 57 ASN N N 57 118.552 118.605 -0.053 1
1 652 . 2 1 1 A 58 58 ALA H H 58 8.097 7.751 0.346 1
1 653 . 2 1 1 A 58 58 ALA HA H 58 3.280 3.496 -0.216 1
1 657 . 2 1 1 A 58 58 ALA C C 58 180.512 179.965 0.547 1
1 658 . 2 1 1 A 58 58 ALA CA C 58 54.711 54.669 0.042 1
1 659 . 2 1 1 A 58 58 ALA CB C 58 16.685 17.364 -0.679 1
1 660 . 2 1 1 A 58 58 ALA N N 58 125.426 122.119 3.307 1
1 661 . 2 1 1 A 59 59 ARG H H 59 8.104 7.662 0.442 1
1 662 . 2 1 1 A 59 59 ARG HA H 59 4.159 4.267 -0.108 1
1 669 . 2 1 1 A 59 59 ARG C C 59 178.570 179.025 -0.455 1
1 670 . 2 1 1 A 59 59 ARG CA C 59 59.916 59.805 0.111 1
1 671 . 2 1 1 A 59 59 ARG CB C 59 31.344 29.960 1.384 1
1 674 . 2 1 1 A 59 59 ARG N N 59 117.308 117.374 -0.066 1
1 675 . 2 1 1 A 60 60 GLN H H 60 7.532 7.852 -0.320 1
1 676 . 2 1 1 A 60 60 GLN HA H 60 4.118 4.085 0.033 1
1 683 . 2 1 1 A 60 60 GLN C C 60 178.036 178.957 -0.921 1
1 684 . 2 1 1 A 60 60 GLN CA C 60 58.021 58.674 -0.653 1
1 685 . 2 1 1 A 60 60 GLN CB C 60 28.460 28.139 0.321 1
1 687 . 2 1 1 A 60 60 GLN N N 60 118.195 118.773 -0.578 1
1 689 . 2 1 1 A 61 61 LYS H H 61 7.738 8.109 -0.371 1
1 690 . 2 1 1 A 61 61 LYS HA H 61 4.038 3.971 0.067 1
1 699 . 2 1 1 A 61 61 LYS C C 61 177.454 179.026 -1.572 1
1 700 . 2 1 1 A 61 61 LYS CA C 61 57.938 59.294 -1.356 1
1 701 . 2 1 1 A 61 61 LYS CB C 61 32.497 32.297 0.200 1
1 705 . 2 1 1 A 61 61 LYS N N 61 119.476 119.081 0.395 1
1 706 . 2 1 1 A 62 62 ALA H H 62 7.699 7.861 -0.162 1
1 707 . 2 1 1 A 62 62 ALA HA H 62 4.265 4.051 0.214 1
1 711 . 2 1 1 A 62 62 ALA C C 62 177.818 177.671 0.147 1
1 712 . 2 1 1 A 62 62 ALA CA C 62 52.945 55.281 -2.336 1
1 713 . 2 1 1 A 62 62 ALA CB C 62 18.904 18.130 0.774 1
1 714 . 2 1 1 A 62 62 ALA N N 62 121.322 122.104 -0.782 1
1 715 . 2 1 1 A 63 63 ARG H H 63 7.831 7.864 -0.033 1
1 716 . 2 1 1 A 63 63 ARG HA H 63 4.237 4.483 -0.246 1
1 722 . 2 1 1 A 63 63 ARG C C 63 176.580 175.543 1.037 1
1 723 . 2 1 1 A 63 63 ARG CA C 63 56.717 55.593 1.124 1
1 724 . 2 1 1 A 63 63 ARG CB C 63 30.124 30.880 -0.756 1
1 727 . 2 1 1 A 63 63 ARG N N 63 118.592 116.807 1.785 1
1 728 . 2 1 1 A 64 64 LYS H H 64 8.213 8.524 -0.311 1
1 729 . 2 1 1 A 64 64 LYS HA H 64 4.365 4.881 -0.516 1
1 738 . 2 1 1 A 64 64 LYS C C 64 176.677 175.013 1.664 1
1 739 . 2 1 1 A 64 64 LYS CA C 64 56.329 55.626 0.703 1
1 740 . 2 1 1 A 64 64 LYS CB C 64 32.906 33.731 -0.825 1
1 744 . 2 1 1 A 64 64 LYS N N 64 121.456 121.924 -0.468 1
1 745 . 2 1 1 A 65 65 SER H H 65 8.289 8.774 -0.485 1
1 746 . 2 1 1 A 65 65 SER HA H 65 4.510 4.972 -0.462 1
1 749 . 2 1 1 A 65 65 SER C C 65 174.492 172.823 1.669 1
1 750 . 2 1 1 A 65 65 SER CA C 65 58.303 57.743 0.560 1
1 751 . 2 1 1 A 65 65 SER CB C 65 64.052 65.624 -1.572 1
1 752 . 2 1 1 A 65 65 SER N N 65 116.719 118.743 -2.024 1
1 753 . 2 1 1 A 66 66 GLY H H 66 8.242 8.289 -0.047 1
1 754 . 2 1 1 A 66 66 GLY HA2 H 66 4.120 4.189 -0.069 1
1 755 . 2 1 1 A 66 66 GLY HA3 H 66 4.148 4.190 -0.042 1
1 756 . 2 1 1 A 66 66 GLY C C 66 171.798 171.891 -0.093 1
1 757 . 2 1 1 A 66 66 GLY CA C 66 44.687 45.653 -0.966 1
1 758 . 2 1 1 A 66 66 GLY N N 66 110.632 111.269 -0.637 1
1 759 . 2 1 1 A 67 67 PRO HA H 67 4.458 4.498 -0.040 1
1 766 . 2 1 1 A 67 67 PRO C C 67 177.429 177.314 0.115 1
1 767 . 2 1 1 A 67 67 PRO CA C 67 63.309 63.022 0.287 1
1 768 . 2 1 1 A 67 67 PRO CB C 67 32.200 30.631 1.569 1
1 771 . 2 1 1 A 68 68 SER H H 68 8.535 8.197 0.338 1
1 772 . 2 1 1 A 68 68 SER HA H 68 4.482 4.173 0.309 1
1 775 . 2 1 1 A 68 68 SER C C 68 174.638 174.270 0.368 1
1 776 . 2 1 1 A 68 68 SER CA C 68 58.444 58.986 -0.542 1
1 777 . 2 1 1 A 68 68 SER CB C 68 63.838 61.037 2.801 1
1 778 . 2 1 1 A 68 68 SER N N 68 116.359 119.828 -3.469 1
1 779 . 2 1 1 A 69 69 SER H H 69 8.300 7.857 0.443 1
1 780 . 2 1 1 A 69 69 SER HA H 69 4.477 4.299 0.178 1
1 783 . 2 1 1 A 69 69 SER C C 69 173.934 174.821 -0.887 1
1 784 . 2 1 1 A 69 69 SER CA C 69 58.374 58.599 -0.225 1
1 785 . 2 1 1 A 69 69 SER CB C 69 64.134 63.490 0.644 1
1 786 . 2 1 1 A 69 69 SER N N 69 117.715 117.597 0.118 1
1 1 . 3 1 1 A 10 10 SER HA H 10 4.461 4.999 -0.538 1
1 4 . 3 1 1 A 10 10 SER C C 10 174.492 172.863 1.629 1
1 5 . 3 1 1 A 10 10 SER CA C 10 58.479 57.396 1.083 1
1 6 . 3 1 1 A 10 10 SER CB C 10 63.932 65.325 -1.393 1
1 7 . 3 1 1 A 11 11 ARG H H 11 8.318 9.142 -0.824 1
1 8 . 3 1 1 A 11 11 ARG HA H 11 4.391 4.732 -0.341 1
1 15 . 3 1 1 A 11 11 ARG C C 11 176.264 175.204 1.060 1
1 16 . 3 1 1 A 11 11 ARG CA C 11 56.118 54.568 1.550 1
1 17 . 3 1 1 A 11 11 ARG CB C 11 30.849 30.678 0.171 1
1 20 . 3 1 1 A 11 11 ARG N N 11 122.795 128.084 -5.289 1
1 21 . 3 1 1 A 12 12 THR H H 12 8.159 8.813 -0.654 1
1 22 . 3 1 1 A 12 12 THR HA H 12 4.150 4.552 -0.402 1
1 27 . 3 1 1 A 12 12 THR C C 12 173.740 173.104 0.636 1
1 28 . 3 1 1 A 12 12 THR CA C 12 62.463 61.955 0.508 1
1 29 . 3 1 1 A 12 12 THR CB C 12 69.770 67.633 2.137 1
1 31 . 3 1 1 A 12 12 THR N N 12 117.261 121.168 -3.907 1
1 32 . 3 1 1 A 13 13 ARG H H 13 8.319 8.157 0.162 1
1 33 . 3 1 1 A 13 13 ARG HA H 13 4.332 4.827 -0.495 1
1 40 . 3 1 1 A 13 13 ARG C C 13 175.560 174.412 1.148 1
1 41 . 3 1 1 A 13 13 ARG CA C 13 55.518 54.060 1.458 1
1 42 . 3 1 1 A 13 13 ARG CB C 13 30.763 32.788 -2.025 1
1 45 . 3 1 1 A 13 13 ARG N N 13 125.163 128.199 -3.036 1
1 46 . 3 1 1 A 14 14 PHE H H 14 8.195 9.045 -0.850 1
1 47 . 3 1 1 A 14 14 PHE HA H 14 4.952 5.136 -0.184 1
1 55 . 3 1 1 A 14 14 PHE C C 14 176.993 174.340 2.653 1
1 56 . 3 1 1 A 14 14 PHE CA C 14 56.859 56.458 0.401 1
1 57 . 3 1 1 A 14 14 PHE CB C 14 41.107 43.023 -1.916 1
1 63 . 3 1 1 A 14 14 PHE N N 14 121.558 123.364 -1.806 1
1 64 . 3 1 1 A 15 15 THR H H 15 8.999 8.512 0.487 1
1 65 . 3 1 1 A 15 15 THR HA H 15 4.491 4.890 -0.399 1
1 70 . 3 1 1 A 15 15 THR C C 15 174.856 175.284 -0.428 1
1 71 . 3 1 1 A 15 15 THR CA C 15 60.559 59.790 0.769 1
1 72 . 3 1 1 A 15 15 THR CB C 15 70.890 71.117 -0.227 1
1 74 . 3 1 1 A 15 15 THR N N 15 113.369 115.439 -2.070 1
1 75 . 3 1 1 A 16 16 ASP H H 16 8.906 9.257 -0.351 1
1 76 . 3 1 1 A 16 16 ASP HA H 16 4.333 4.274 0.059 1
1 79 . 3 1 1 A 16 16 ASP C C 16 178.764 177.932 0.832 1
1 80 . 3 1 1 A 16 16 ASP CA C 16 57.911 58.230 -0.319 1
1 81 . 3 1 1 A 16 16 ASP CB C 16 39.994 40.409 -0.415 1
1 82 . 3 1 1 A 16 16 ASP N N 16 120.884 126.991 -6.107 1
1 83 . 3 1 1 A 17 17 TYR H H 17 8.356 8.186 0.170 1
1 84 . 3 1 1 A 17 17 TYR HA H 17 4.211 4.120 0.091 1
1 91 . 3 1 1 A 17 17 TYR C C 17 176.264 177.834 -1.570 1
1 92 . 3 1 1 A 17 17 TYR CA C 17 61.045 61.759 -0.714 1
1 93 . 3 1 1 A 17 17 TYR CB C 17 38.666 38.627 0.039 1
1 98 . 3 1 1 A 17 17 TYR N N 17 119.909 122.221 -2.312 1
1 99 . 3 1 1 A 18 18 GLN H H 18 7.582 8.071 -0.489 1
1 100 . 3 1 1 A 18 18 GLN HA H 18 3.482 3.496 -0.014 1
1 107 . 3 1 1 A 18 18 GLN C C 18 177.502 178.634 -1.132 1
1 108 . 3 1 1 A 18 18 GLN CA C 18 58.726 58.703 0.023 1
1 109 . 3 1 1 A 18 18 GLN CB C 18 27.717 28.381 -0.664 1
1 111 . 3 1 1 A 18 18 GLN N N 18 116.647 118.645 -1.998 1
1 113 . 3 1 1 A 19 19 LEU H H 19 8.170 8.641 -0.471 1
1 114 . 3 1 1 A 19 19 LEU HA H 19 3.508 3.678 -0.170 1
1 124 . 3 1 1 A 19 19 LEU C C 19 178.546 179.203 -0.657 1
1 125 . 3 1 1 A 19 19 LEU CA C 19 57.625 57.831 -0.206 1
1 126 . 3 1 1 A 19 19 LEU CB C 19 41.812 41.233 0.579 1
1 130 . 3 1 1 A 19 19 LEU N N 19 115.406 119.907 -4.501 1
1 131 . 3 1 1 A 20 20 ARG H H 20 7.792 8.036 -0.244 1
1 132 . 3 1 1 A 20 20 ARG HA H 20 3.917 3.939 -0.022 1
1 138 . 3 1 1 A 20 20 ARG C C 20 178.036 178.759 -0.723 1
1 139 . 3 1 1 A 20 20 ARG CA C 20 59.026 59.112 -0.086 1
1 140 . 3 1 1 A 20 20 ARG CB C 20 29.861 29.954 -0.093 1
1 143 . 3 1 1 A 20 20 ARG N N 20 120.360 120.640 -0.280 1
1 144 . 3 1 1 A 21 21 VAL H H 21 7.601 7.417 0.184 1
1 145 . 3 1 1 A 21 21 VAL HA H 21 3.533 3.579 -0.046 1
1 153 . 3 1 1 A 21 21 VAL C C 21 179.541 177.960 1.581 1
1 154 . 3 1 1 A 21 21 VAL CA C 21 66.327 66.134 0.193 1
1 155 . 3 1 1 A 21 21 VAL CB C 21 31.509 31.419 0.090 1
1 158 . 3 1 1 A 21 21 VAL N N 21 119.151 119.071 0.080 1
1 159 . 3 1 1 A 22 22 LEU H H 22 7.898 8.241 -0.343 1
1 160 . 3 1 1 A 22 22 LEU HA H 22 3.513 3.787 -0.274 1
1 170 . 3 1 1 A 22 22 LEU C C 22 177.527 178.959 -1.432 1
1 171 . 3 1 1 A 22 22 LEU CA C 22 58.181 58.028 0.153 1
1 172 . 3 1 1 A 22 22 LEU CB C 22 38.573 40.477 -1.904 1
1 176 . 3 1 1 A 22 22 LEU N N 22 119.825 119.597 0.228 1
1 177 . 3 1 1 A 23 23 GLN H H 23 8.171 8.299 -0.128 1
1 178 . 3 1 1 A 23 23 GLN HA H 23 3.925 3.973 -0.048 1
1 185 . 3 1 1 A 23 23 GLN C C 23 178.061 177.497 0.564 1
1 186 . 3 1 1 A 23 23 GLN CA C 23 58.832 58.929 -0.097 1
1 187 . 3 1 1 A 23 23 GLN CB C 23 28.769 28.699 0.070 1
1 189 . 3 1 1 A 23 23 GLN N N 23 118.186 118.118 0.068 1
1 191 . 3 1 1 A 24 24 ASP H H 24 8.446 8.014 0.432 1
1 192 . 3 1 1 A 24 24 ASP HA H 24 4.373 4.431 -0.058 1
1 195 . 3 1 1 A 24 24 ASP C C 24 179.347 178.684 0.663 1
1 196 . 3 1 1 A 24 24 ASP CA C 24 57.294 57.258 0.036 1
1 197 . 3 1 1 A 24 24 ASP CB C 24 40.035 40.974 -0.939 1
1 198 . 3 1 1 A 24 24 ASP N N 24 118.634 119.514 -0.880 1
1 199 . 3 1 1 A 25 25 PHE H H 25 8.224 8.318 -0.094 1
1 200 . 3 1 1 A 25 25 PHE HA H 25 4.062 4.285 -0.223 1
1 208 . 3 1 1 A 25 25 PHE C C 25 177.891 177.620 0.271 1
1 209 . 3 1 1 A 25 25 PHE CA C 25 61.546 60.898 0.648 1
1 210 . 3 1 1 A 25 25 PHE CB C 25 39.246 39.165 0.081 1
1 216 . 3 1 1 A 25 25 PHE N N 25 121.633 119.914 1.719 1
1 217 . 3 1 1 A 26 26 PHE H H 26 9.167 8.147 1.020 1
1 218 . 3 1 1 A 26 26 PHE HA H 26 4.302 4.554 -0.252 1
1 226 . 3 1 1 A 26 26 PHE C C 26 176.531 176.974 -0.443 1
1 227 . 3 1 1 A 26 26 PHE CA C 26 61.476 61.212 0.264 1
1 228 . 3 1 1 A 26 26 PHE CB C 26 39.471 38.964 0.507 1
1 234 . 3 1 1 A 26 26 PHE N N 26 121.265 120.005 1.260 1
1 235 . 3 1 1 A 27 27 ASP H H 27 8.654 8.475 0.179 1
1 236 . 3 1 1 A 27 27 ASP HA H 27 4.238 4.458 -0.220 1
1 239 . 3 1 1 A 27 27 ASP C C 27 177.429 177.542 -0.113 1
1 240 . 3 1 1 A 27 27 ASP CA C 27 56.717 57.563 -0.846 1
1 241 . 3 1 1 A 27 27 ASP CB C 27 40.406 41.812 -1.406 1
1 242 . 3 1 1 A 27 27 ASP N N 27 116.555 119.486 -2.931 1
1 243 . 3 1 1 A 28 28 ALA H H 28 7.262 7.672 -0.410 1
1 244 . 3 1 1 A 28 28 ALA HA H 28 4.316 4.300 0.016 1
1 248 . 3 1 1 A 28 28 ALA C C 28 177.891 177.475 0.416 1
1 249 . 3 1 1 A 28 28 ALA CA C 28 52.839 53.565 -0.726 1
1 250 . 3 1 1 A 28 28 ALA CB C 28 19.698 19.817 -0.119 1
1 251 . 3 1 1 A 28 28 ALA N N 28 120.441 119.124 1.317 1
1 252 . 3 1 1 A 29 29 ASN H H 29 8.346 8.365 -0.019 1
1 253 . 3 1 1 A 29 29 ASN HA H 29 4.432 5.022 -0.590 1
1 258 . 3 1 1 A 29 29 ASN C C 29 172.259 174.468 -2.209 1
1 259 . 3 1 1 A 29 29 ASN CA C 29 52.943 52.431 0.512 1
1 260 . 3 1 1 A 29 29 ASN CB C 29 38.435 41.253 -2.818 1
1 261 . 3 1 1 A 29 29 ASN N N 29 118.701 114.789 3.912 1
1 263 . 3 1 1 A 30 30 ALA H H 30 8.177 8.647 -0.470 1
1 264 . 3 1 1 A 30 30 ALA HA H 30 4.010 4.718 -0.708 1
1 268 . 3 1 1 A 30 30 ALA C C 30 176.798 176.729 0.069 1
1 269 . 3 1 1 A 30 30 ALA CA C 30 52.980 50.988 1.992 1
1 270 . 3 1 1 A 30 30 ALA CB C 30 19.233 19.461 -0.228 1
1 271 . 3 1 1 A 30 30 ALA N N 30 124.112 128.361 -4.249 1
1 272 . 3 1 1 A 31 31 TYR H H 31 7.984 7.841 0.143 1
1 273 . 3 1 1 A 31 31 TYR HA H 31 4.672 5.164 -0.492 1
1 280 . 3 1 1 A 31 31 TYR C C 31 172.283 173.116 -0.833 1
1 281 . 3 1 1 A 31 31 TYR CA C 31 55.483 55.547 -0.064 1
1 282 . 3 1 1 A 31 31 TYR CB C 31 39.058 38.324 0.734 1
1 287 . 3 1 1 A 31 31 TYR N N 31 115.568 117.707 -2.139 1
1 288 . 3 1 1 A 32 32 PRO HA H 32 4.249 4.755 -0.506 1
1 295 . 3 1 1 A 32 32 PRO C C 32 176.871 175.728 1.143 1
1 296 . 3 1 1 A 32 32 PRO CA C 32 62.710 62.528 0.182 1
1 297 . 3 1 1 A 32 32 PRO CB C 32 29.959 32.982 -3.023 1
1 300 . 3 1 1 A 33 33 LYS H H 33 9.168 8.540 0.628 1
1 301 . 3 1 1 A 33 33 LYS HA H 33 4.426 4.867 -0.441 1
1 310 . 3 1 1 A 33 33 LYS C C 33 178.061 177.510 0.551 1
1 311 . 3 1 1 A 33 33 LYS CA C 33 55.236 54.893 0.343 1
1 312 . 3 1 1 A 33 33 LYS CB C 33 33.980 34.559 -0.579 1
1 316 . 3 1 1 A 33 33 LYS N N 33 121.451 120.252 1.199 1
1 317 . 3 1 1 A 34 34 ASP H H 34 9.017 9.112 -0.095 1
1 318 . 3 1 1 A 34 34 ASP HA H 34 4.566 4.209 0.357 1
1 321 . 3 1 1 A 34 34 ASP C C 34 179.007 177.772 1.235 1
1 322 . 3 1 1 A 34 34 ASP CA C 34 58.973 58.131 0.842 1
1 323 . 3 1 1 A 34 34 ASP CB C 34 39.834 41.117 -1.283 1
1 324 . 3 1 1 A 34 34 ASP N N 34 122.268 123.527 -1.259 1
1 325 . 3 1 1 A 35 35 ASP H H 35 8.955 8.304 0.651 1
1 326 . 3 1 1 A 35 35 ASP HA H 35 4.408 4.585 -0.177 1
1 329 . 3 1 1 A 35 35 ASP C C 35 178.837 178.717 0.120 1
1 330 . 3 1 1 A 35 35 ASP CA C 35 56.611 57.975 -1.364 1
1 331 . 3 1 1 A 35 35 ASP CB C 35 39.609 41.415 -1.806 1
1 332 . 3 1 1 A 35 35 ASP N N 35 116.861 118.826 -1.965 1
1 333 . 3 1 1 A 36 36 GLU H H 36 7.208 8.010 -0.802 1
1 334 . 3 1 1 A 36 36 GLU HA H 36 4.051 4.027 0.024 1
1 339 . 3 1 1 A 36 36 GLU C C 36 179.226 179.160 0.066 1
1 340 . 3 1 1 A 36 36 GLU CA C 36 58.761 59.157 -0.396 1
1 341 . 3 1 1 A 36 36 GLU CB C 36 29.689 29.368 0.321 1
1 343 . 3 1 1 A 36 36 GLU N N 36 121.585 118.577 3.008 1
1 344 . 3 1 1 A 37 37 PHE H H 37 7.997 8.551 -0.554 1
1 345 . 3 1 1 A 37 37 PHE HA H 37 4.164 3.979 0.185 1
1 353 . 3 1 1 A 37 37 PHE C C 37 178.400 178.150 0.250 1
1 354 . 3 1 1 A 37 37 PHE CA C 37 61.915 61.294 0.621 1
1 355 . 3 1 1 A 37 37 PHE CB C 37 38.320 38.178 0.142 1
1 361 . 3 1 1 A 37 37 PHE N N 37 118.258 119.084 -0.826 1
1 362 . 3 1 1 A 38 38 GLU H H 38 7.806 8.337 -0.531 1
1 363 . 3 1 1 A 38 38 GLU HA H 38 4.027 3.948 0.079 1
1 368 . 3 1 1 A 38 38 GLU C C 38 178.764 179.232 -0.468 1
1 369 . 3 1 1 A 38 38 GLU CA C 38 59.325 60.054 -0.729 1
1 370 . 3 1 1 A 38 38 GLU CB C 38 29.083 29.295 -0.212 1
1 372 . 3 1 1 A 38 38 GLU N N 38 118.433 119.059 -0.626 1
1 373 . 3 1 1 A 39 39 GLN H H 39 7.845 8.130 -0.285 1
1 374 . 3 1 1 A 39 39 GLN HA H 39 4.149 3.805 0.344 1
1 381 . 3 1 1 A 39 39 GLN C C 39 179.541 178.998 0.543 1
1 382 . 3 1 1 A 39 39 GLN CA C 39 59.184 59.213 -0.029 1
1 383 . 3 1 1 A 39 39 GLN CB C 39 28.097 28.151 -0.054 1
1 385 . 3 1 1 A 39 39 GLN N N 39 119.859 118.869 0.990 1
1 387 . 3 1 1 A 40 40 LEU H H 40 8.130 7.483 0.647 1
1 388 . 3 1 1 A 40 40 LEU HA H 40 3.938 3.977 -0.039 1
1 398 . 3 1 1 A 40 40 LEU C C 40 178.158 178.964 -0.806 1
1 399 . 3 1 1 A 40 40 LEU CA C 40 58.092 57.619 0.473 1
1 400 . 3 1 1 A 40 40 LEU CB C 40 43.194 41.349 1.845 1
1 404 . 3 1 1 A 40 40 LEU N N 40 120.785 119.803 0.982 1
1 405 . 3 1 1 A 41 41 SER H H 41 8.241 8.452 -0.211 1
1 406 . 3 1 1 A 41 41 SER HA H 41 4.251 4.284 -0.033 1
1 409 . 3 1 1 A 41 41 SER C C 41 177.891 176.881 1.010 1
1 410 . 3 1 1 A 41 41 SER CA C 41 61.194 61.550 -0.356 1
1 411 . 3 1 1 A 41 41 SER CB C 41 63.501 62.467 1.034 1
1 412 . 3 1 1 A 41 41 SER N N 41 114.804 113.456 1.348 1
1 413 . 3 1 1 A 42 42 ASN H H 42 7.969 7.834 0.135 1
1 414 . 3 1 1 A 42 42 ASN HA H 42 4.515 4.625 -0.110 1
1 419 . 3 1 1 A 42 42 ASN C C 42 177.381 177.778 -0.397 1
1 420 . 3 1 1 A 42 42 ASN CA C 42 55.871 56.115 -0.244 1
1 421 . 3 1 1 A 42 42 ASN CB C 42 38.920 38.573 0.347 1
1 422 . 3 1 1 A 42 42 ASN N N 42 118.051 120.822 -2.771 1
1 424 . 3 1 1 A 43 43 LEU H H 43 8.169 7.687 0.482 1
1 425 . 3 1 1 A 43 43 LEU HA H 43 4.189 4.092 0.097 1
1 435 . 3 1 1 A 43 43 LEU C C 43 178.837 178.873 -0.036 1
1 436 . 3 1 1 A 43 43 LEU CA C 43 57.845 58.168 -0.323 1
1 437 . 3 1 1 A 43 43 LEU CB C 43 43.382 42.067 1.315 1
1 441 . 3 1 1 A 43 43 LEU N N 43 120.419 121.619 -1.200 1
1 442 . 3 1 1 A 44 44 LEU H H 44 8.185 8.012 0.173 1
1 443 . 3 1 1 A 44 44 LEU HA H 44 4.445 4.170 0.275 1
1 453 . 3 1 1 A 44 44 LEU C C 44 176.677 176.004 0.673 1
1 454 . 3 1 1 A 44 44 LEU CA C 44 54.397 54.971 -0.574 1
1 455 . 3 1 1 A 44 44 LEU CB C 44 43.111 42.100 1.011 1
1 459 . 3 1 1 A 44 44 LEU N N 44 113.030 118.204 -5.174 1
1 460 . 3 1 1 A 45 45 ASN H H 45 8.100 8.019 0.081 1
1 461 . 3 1 1 A 45 45 ASN HA H 45 4.440 4.492 -0.052 1
1 466 . 3 1 1 A 45 45 ASN C C 45 174.395 173.716 0.679 1
1 467 . 3 1 1 A 45 45 ASN CA C 45 54.073 54.430 -0.357 1
1 468 . 3 1 1 A 45 45 ASN CB C 45 36.970 36.857 0.113 1
1 469 . 3 1 1 A 45 45 ASN N N 45 117.438 115.516 1.922 1
1 471 . 3 1 1 A 46 46 LEU H H 46 7.476 7.702 -0.226 1
1 472 . 3 1 1 A 46 46 LEU HA H 46 4.980 4.788 0.192 1
1 482 . 3 1 1 A 46 46 LEU C C 46 173.691 174.690 -0.999 1
1 483 . 3 1 1 A 46 46 LEU CA C 46 51.032 51.748 -0.716 1
1 484 . 3 1 1 A 46 46 LEU CB C 46 46.668 43.426 3.242 1
1 488 . 3 1 1 A 46 46 LEU N N 46 117.604 119.164 -1.560 1
1 489 . 3 1 1 A 47 47 PRO HA H 47 4.515 4.684 -0.169 1
1 496 . 3 1 1 A 47 47 PRO C C 47 177.915 177.642 0.273 1
1 497 . 3 1 1 A 47 47 PRO CA C 47 62.392 62.861 -0.469 1
1 498 . 3 1 1 A 47 47 PRO CB C 47 32.592 31.800 0.792 1
1 501 . 3 1 1 A 48 48 THR H H 48 8.818 8.680 0.138 1
1 502 . 3 1 1 A 48 48 THR HA H 48 3.590 3.993 -0.403 1
1 507 . 3 1 1 A 48 48 THR C C 48 176.628 176.013 0.615 1
1 508 . 3 1 1 A 48 48 THR CA C 48 67.384 65.567 1.817 1
1 509 . 3 1 1 A 48 48 THR CB C 48 67.996 68.475 -0.479 1
1 511 . 3 1 1 A 48 48 THR N N 48 120.240 118.752 1.488 1
1 512 . 3 1 1 A 49 49 ARG H H 49 8.750 8.248 0.502 1
1 513 . 3 1 1 A 49 49 ARG HA H 49 3.899 4.071 -0.172 1
1 520 . 3 1 1 A 49 49 ARG C C 49 178.012 178.390 -0.378 1
1 521 . 3 1 1 A 49 49 ARG CA C 49 59.079 58.587 0.492 1
1 522 . 3 1 1 A 49 49 ARG CB C 49 29.474 30.167 -0.693 1
1 525 . 3 1 1 A 49 49 ARG N N 49 117.541 120.959 -3.418 1
1 526 . 3 1 1 A 50 50 VAL H H 50 6.994 8.156 -1.162 1
1 527 . 3 1 1 A 50 50 VAL HA H 50 3.885 3.751 0.134 1
1 535 . 3 1 1 A 50 50 VAL C C 50 178.400 178.636 -0.236 1
1 536 . 3 1 1 A 50 50 VAL CA C 50 65.099 66.207 -1.108 1
1 537 . 3 1 1 A 50 50 VAL CB C 50 31.909 31.618 0.291 1
1 540 . 3 1 1 A 50 50 VAL N N 50 115.765 120.370 -4.605 1
1 541 . 3 1 1 A 51 51 ILE H H 51 7.358 7.909 -0.551 1
1 542 . 3 1 1 A 51 51 ILE HA H 51 3.814 3.917 -0.103 1
1 552 . 3 1 1 A 51 51 ILE C C 51 177.648 178.975 -1.327 1
1 553 . 3 1 1 A 51 51 ILE CA C 51 65.318 64.105 1.213 1
1 554 . 3 1 1 A 51 51 ILE CB C 51 38.017 36.327 1.690 1
1 558 . 3 1 1 A 51 51 ILE N N 51 122.170 120.185 1.985 1
1 559 . 3 1 1 A 52 52 VAL H H 52 8.401 8.548 -0.147 1
1 560 . 3 1 1 A 52 52 VAL HA H 52 3.290 3.690 -0.400 1
1 568 . 3 1 1 A 52 52 VAL C C 52 179.177 178.150 1.027 1
1 569 . 3 1 1 A 52 52 VAL CA C 52 67.021 66.823 0.198 1
1 570 . 3 1 1 A 52 52 VAL CB C 52 31.583 31.578 0.005 1
1 573 . 3 1 1 A 52 52 VAL N N 52 121.321 121.611 -0.290 1
1 574 . 3 1 1 A 53 53 VAL H H 53 7.691 7.735 -0.044 1
1 575 . 3 1 1 A 53 53 VAL HA H 53 3.711 3.783 -0.072 1
1 583 . 3 1 1 A 53 53 VAL C C 53 177.648 178.237 -0.589 1
1 584 . 3 1 1 A 53 53 VAL CA C 53 66.531 66.315 0.216 1
1 585 . 3 1 1 A 53 53 VAL CB C 53 31.936 31.620 0.316 1
1 588 . 3 1 1 A 53 53 VAL N N 53 119.305 119.180 0.125 1
1 589 . 3 1 1 A 54 54 TRP H H 54 8.127 7.906 0.221 1
1 590 . 3 1 1 A 54 54 TRP HA H 54 4.016 4.292 -0.276 1
1 599 . 3 1 1 A 54 54 TRP C C 54 180.100 178.260 1.840 1
1 600 . 3 1 1 A 54 54 TRP CA C 54 63.534 61.347 2.187 1
1 601 . 3 1 1 A 54 54 TRP CB C 54 28.747 29.639 -0.892 1
1 607 . 3 1 1 A 54 54 TRP N N 54 122.197 121.665 0.532 1
1 609 . 3 1 1 A 55 55 PHE H H 55 8.964 8.696 0.268 1
1 610 . 3 1 1 A 55 55 PHE HA H 55 3.843 4.454 -0.611 1
1 618 . 3 1 1 A 55 55 PHE C C 55 178.158 178.459 -0.301 1
1 619 . 3 1 1 A 55 55 PHE CA C 55 63.309 62.588 0.721 1
1 620 . 3 1 1 A 55 55 PHE CB C 55 39.818 38.935 0.883 1
1 626 . 3 1 1 A 55 55 PHE N N 55 119.663 118.672 0.991 1
1 627 . 3 1 1 A 56 56 GLN H H 56 8.412 8.796 -0.384 1
1 628 . 3 1 1 A 56 56 GLN HA H 56 3.984 3.905 0.079 1
1 635 . 3 1 1 A 56 56 GLN C C 56 179.420 178.935 0.485 1
1 636 . 3 1 1 A 56 56 GLN CA C 56 59.678 59.198 0.480 1
1 637 . 3 1 1 A 56 56 GLN CB C 56 27.981 28.121 -0.140 1
1 639 . 3 1 1 A 56 56 GLN N N 56 118.932 117.758 1.174 1
1 641 . 3 1 1 A 57 57 ASN H H 57 8.358 7.775 0.583 1
1 642 . 3 1 1 A 57 57 ASN HA H 57 4.302 4.463 -0.161 1
1 647 . 3 1 1 A 57 57 ASN C C 57 177.308 177.796 -0.488 1
1 648 . 3 1 1 A 57 57 ASN CA C 57 55.836 56.036 -0.200 1
1 649 . 3 1 1 A 57 57 ASN CB C 57 38.123 38.364 -0.241 1
1 650 . 3 1 1 A 57 57 ASN N N 57 118.552 118.390 0.162 1
1 652 . 3 1 1 A 58 58 ALA H H 58 8.097 7.678 0.419 1
1 653 . 3 1 1 A 58 58 ALA HA H 58 3.280 3.480 -0.200 1
1 657 . 3 1 1 A 58 58 ALA C C 58 180.512 179.262 1.250 1
1 658 . 3 1 1 A 58 58 ALA CA C 58 54.711 54.331 0.380 1
1 659 . 3 1 1 A 58 58 ALA CB C 58 16.685 17.342 -0.657 1
1 660 . 3 1 1 A 58 58 ALA N N 58 125.426 121.663 3.763 1
1 661 . 3 1 1 A 59 59 ARG H H 59 8.104 7.367 0.737 1
1 662 . 3 1 1 A 59 59 ARG HA H 59 4.159 4.381 -0.222 1
1 669 . 3 1 1 A 59 59 ARG C C 59 178.570 178.927 -0.357 1
1 670 . 3 1 1 A 59 59 ARG CA C 59 59.916 58.072 1.844 1
1 671 . 3 1 1 A 59 59 ARG CB C 59 31.344 30.975 0.369 1
1 674 . 3 1 1 A 59 59 ARG N N 59 117.308 116.584 0.724 1
1 675 . 3 1 1 A 60 60 GLN H H 60 7.532 8.324 -0.792 1
1 676 . 3 1 1 A 60 60 GLN HA H 60 4.118 4.045 0.073 1
1 683 . 3 1 1 A 60 60 GLN C C 60 178.036 177.795 0.241 1
1 684 . 3 1 1 A 60 60 GLN CA C 60 58.021 58.727 -0.706 1
1 685 . 3 1 1 A 60 60 GLN CB C 60 28.460 27.762 0.698 1
1 687 . 3 1 1 A 60 60 GLN N N 60 118.195 118.387 -0.192 1
1 689 . 3 1 1 A 61 61 LYS H H 61 7.738 8.200 -0.462 1
1 690 . 3 1 1 A 61 61 LYS HA H 61 4.038 4.022 0.016 1
1 699 . 3 1 1 A 61 61 LYS C C 61 177.454 178.954 -1.500 1
1 700 . 3 1 1 A 61 61 LYS CA C 61 57.938 59.165 -1.227 1
1 701 . 3 1 1 A 61 61 LYS CB C 61 32.497 31.848 0.649 1
1 705 . 3 1 1 A 61 61 LYS N N 61 119.476 118.447 1.029 1
1 706 . 3 1 1 A 62 62 ALA H H 62 7.699 7.952 -0.253 1
1 707 . 3 1 1 A 62 62 ALA HA H 62 4.265 4.135 0.130 1
1 711 . 3 1 1 A 62 62 ALA C C 62 177.818 178.379 -0.561 1
1 712 . 3 1 1 A 62 62 ALA CA C 62 52.945 55.121 -2.176 1
1 713 . 3 1 1 A 62 62 ALA CB C 62 18.904 18.506 0.398 1
1 714 . 3 1 1 A 62 62 ALA N N 62 121.322 121.768 -0.446 1
1 715 . 3 1 1 A 63 63 ARG H H 63 7.831 7.571 0.260 1
1 716 . 3 1 1 A 63 63 ARG HA H 63 4.237 4.259 -0.022 1
1 722 . 3 1 1 A 63 63 ARG C C 63 176.580 175.920 0.660 1
1 723 . 3 1 1 A 63 63 ARG CA C 63 56.717 57.130 -0.413 1
1 724 . 3 1 1 A 63 63 ARG CB C 63 30.124 30.635 -0.511 1
1 727 . 3 1 1 A 63 63 ARG N N 63 118.592 118.049 0.543 1
1 728 . 3 1 1 A 64 64 LYS H H 64 8.213 8.459 -0.246 1
1 729 . 3 1 1 A 64 64 LYS HA H 64 4.365 4.740 -0.375 1
1 738 . 3 1 1 A 64 64 LYS C C 64 176.677 175.725 0.952 1
1 739 . 3 1 1 A 64 64 LYS CA C 64 56.329 55.699 0.630 1
1 740 . 3 1 1 A 64 64 LYS CB C 64 32.906 33.367 -0.461 1
1 744 . 3 1 1 A 64 64 LYS N N 64 121.456 122.654 -1.198 1
1 745 . 3 1 1 A 65 65 SER H H 65 8.289 8.810 -0.521 1
1 746 . 3 1 1 A 65 65 SER HA H 65 4.510 5.171 -0.661 1
1 749 . 3 1 1 A 65 65 SER C C 65 174.492 174.052 0.440 1
1 750 . 3 1 1 A 65 65 SER CA C 65 58.303 56.606 1.697 1
1 751 . 3 1 1 A 65 65 SER CB C 65 64.052 64.325 -0.273 1
1 752 . 3 1 1 A 65 65 SER N N 65 116.719 115.729 0.990 1
1 753 . 3 1 1 A 66 66 GLY H H 66 8.242 8.685 -0.443 1
1 754 . 3 1 1 A 66 66 GLY HA2 H 66 4.120 3.987 0.133 1
1 755 . 3 1 1 A 66 66 GLY HA3 H 66 4.148 3.988 0.160 1
1 756 . 3 1 1 A 66 66 GLY C C 66 171.798 174.822 -3.024 1
1 757 . 3 1 1 A 66 66 GLY CA C 66 44.687 46.520 -1.833 1
1 758 . 3 1 1 A 66 66 GLY N N 66 110.632 111.378 -0.746 1
1 759 . 3 1 1 A 67 67 PRO HA H 67 4.458 4.472 -0.014 1
1 766 . 3 1 1 A 67 67 PRO C C 67 177.429 176.423 1.006 1
1 767 . 3 1 1 A 67 67 PRO CA C 67 63.309 63.984 -0.675 1
1 768 . 3 1 1 A 67 67 PRO CB C 67 32.200 31.653 0.547 1
1 771 . 3 1 1 A 68 68 SER H H 68 8.535 7.867 0.668 1
1 772 . 3 1 1 A 68 68 SER HA H 68 4.482 4.508 -0.026 1
1 775 . 3 1 1 A 68 68 SER C C 68 174.638 174.331 0.307 1
1 776 . 3 1 1 A 68 68 SER CA C 68 58.444 58.475 -0.031 1
1 777 . 3 1 1 A 68 68 SER CB C 68 63.838 63.346 0.492 1
1 778 . 3 1 1 A 68 68 SER N N 68 116.359 112.542 3.817 1
1 779 . 3 1 1 A 69 69 SER H H 69 8.300 8.530 -0.230 1
1 780 . 3 1 1 A 69 69 SER HA H 69 4.477 4.192 0.285 1
1 783 . 3 1 1 A 69 69 SER C C 69 173.934 174.823 -0.889 1
1 784 . 3 1 1 A 69 69 SER CA C 69 58.374 60.405 -2.031 1
1 785 . 3 1 1 A 69 69 SER CB C 69 64.134 63.073 1.061 1
1 786 . 3 1 1 A 69 69 SER N N 69 117.715 120.715 -3.000 1
1 1 . 4 1 1 A 10 10 SER HA H 10 4.461 5.072 -0.611 1
1 4 . 4 1 1 A 10 10 SER C C 10 174.492 172.539 1.953 1
1 5 . 4 1 1 A 10 10 SER CA C 10 58.479 56.736 1.743 1
1 6 . 4 1 1 A 10 10 SER CB C 10 63.932 65.799 -1.867 1
1 7 . 4 1 1 A 11 11 ARG H H 11 8.318 8.728 -0.410 1
1 8 . 4 1 1 A 11 11 ARG HA H 11 4.391 4.933 -0.542 1
1 15 . 4 1 1 A 11 11 ARG C C 11 176.264 174.340 1.924 1
1 16 . 4 1 1 A 11 11 ARG CA C 11 56.118 54.767 1.351 1
1 17 . 4 1 1 A 11 11 ARG CB C 11 30.849 32.969 -2.120 1
1 20 . 4 1 1 A 11 11 ARG N N 11 122.795 122.485 0.310 1
1 21 . 4 1 1 A 12 12 THR H H 12 8.159 8.566 -0.407 1
1 22 . 4 1 1 A 12 12 THR HA H 12 4.150 4.099 0.051 1
1 27 . 4 1 1 A 12 12 THR C C 12 173.740 172.890 0.850 1
1 28 . 4 1 1 A 12 12 THR CA C 12 62.463 62.572 -0.109 1
1 29 . 4 1 1 A 12 12 THR CB C 12 69.770 67.513 2.257 1
1 31 . 4 1 1 A 12 12 THR N N 12 117.261 115.973 1.288 1
1 32 . 4 1 1 A 13 13 ARG H H 13 8.319 8.440 -0.121 1
1 33 . 4 1 1 A 13 13 ARG HA H 13 4.332 4.706 -0.374 1
1 40 . 4 1 1 A 13 13 ARG C C 13 175.560 175.302 0.258 1
1 41 . 4 1 1 A 13 13 ARG CA C 13 55.518 54.531 0.987 1
1 42 . 4 1 1 A 13 13 ARG CB C 13 30.763 31.492 -0.729 1
1 45 . 4 1 1 A 13 13 ARG N N 13 125.163 127.797 -2.634 1
1 46 . 4 1 1 A 14 14 PHE H H 14 8.195 8.748 -0.553 1
1 47 . 4 1 1 A 14 14 PHE HA H 14 4.952 4.698 0.254 1
1 55 . 4 1 1 A 14 14 PHE C C 14 176.993 175.549 1.444 1
1 56 . 4 1 1 A 14 14 PHE CA C 14 56.859 58.709 -1.850 1
1 57 . 4 1 1 A 14 14 PHE CB C 14 41.107 39.796 1.311 1
1 63 . 4 1 1 A 14 14 PHE N N 14 121.558 126.492 -4.934 1
1 64 . 4 1 1 A 15 15 THR H H 15 8.999 8.374 0.625 1
1 65 . 4 1 1 A 15 15 THR HA H 15 4.491 4.864 -0.373 1
1 70 . 4 1 1 A 15 15 THR C C 15 174.856 175.102 -0.246 1
1 71 . 4 1 1 A 15 15 THR CA C 15 60.559 59.676 0.883 1
1 72 . 4 1 1 A 15 15 THR CB C 15 70.890 70.948 -0.058 1
1 74 . 4 1 1 A 15 15 THR N N 15 113.369 115.036 -1.667 1
1 75 . 4 1 1 A 16 16 ASP H H 16 8.906 9.255 -0.349 1
1 76 . 4 1 1 A 16 16 ASP HA H 16 4.333 4.282 0.051 1
1 79 . 4 1 1 A 16 16 ASP C C 16 178.764 177.923 0.841 1
1 80 . 4 1 1 A 16 16 ASP CA C 16 57.911 58.224 -0.313 1
1 81 . 4 1 1 A 16 16 ASP CB C 16 39.994 40.460 -0.466 1
1 82 . 4 1 1 A 16 16 ASP N N 16 120.884 127.095 -6.211 1
1 83 . 4 1 1 A 17 17 TYR H H 17 8.356 8.223 0.133 1
1 84 . 4 1 1 A 17 17 TYR HA H 17 4.211 4.106 0.105 1
1 91 . 4 1 1 A 17 17 TYR C C 17 176.264 178.001 -1.737 1
1 92 . 4 1 1 A 17 17 TYR CA C 17 61.045 61.882 -0.837 1
1 93 . 4 1 1 A 17 17 TYR CB C 17 38.666 38.702 -0.036 1
1 98 . 4 1 1 A 17 17 TYR N N 17 119.909 121.990 -2.081 1
1 99 . 4 1 1 A 18 18 GLN H H 18 7.582 8.164 -0.582 1
1 100 . 4 1 1 A 18 18 GLN HA H 18 3.482 3.636 -0.154 1
1 107 . 4 1 1 A 18 18 GLN C C 18 177.502 178.556 -1.054 1
1 108 . 4 1 1 A 18 18 GLN CA C 18 58.726 58.706 0.020 1
1 109 . 4 1 1 A 18 18 GLN CB C 18 27.717 28.539 -0.822 1
1 111 . 4 1 1 A 18 18 GLN N N 18 116.647 118.345 -1.698 1
1 113 . 4 1 1 A 19 19 LEU H H 19 8.170 8.732 -0.562 1
1 114 . 4 1 1 A 19 19 LEU HA H 19 3.508 3.664 -0.156 1
1 124 . 4 1 1 A 19 19 LEU C C 19 178.546 179.261 -0.715 1
1 125 . 4 1 1 A 19 19 LEU CA C 19 57.625 57.762 -0.137 1
1 126 . 4 1 1 A 19 19 LEU CB C 19 41.812 41.106 0.706 1
1 130 . 4 1 1 A 19 19 LEU N N 19 115.406 119.737 -4.331 1
1 131 . 4 1 1 A 20 20 ARG H H 20 7.792 8.314 -0.522 1
1 132 . 4 1 1 A 20 20 ARG HA H 20 3.917 3.949 -0.032 1
1 138 . 4 1 1 A 20 20 ARG C C 20 178.036 178.767 -0.731 1
1 139 . 4 1 1 A 20 20 ARG CA C 20 59.026 59.107 -0.081 1
1 140 . 4 1 1 A 20 20 ARG CB C 20 29.861 29.983 -0.122 1
1 143 . 4 1 1 A 20 20 ARG N N 20 120.360 120.325 0.035 1
1 144 . 4 1 1 A 21 21 VAL H H 21 7.601 7.266 0.335 1
1 145 . 4 1 1 A 21 21 VAL HA H 21 3.533 3.588 -0.055 1
1 153 . 4 1 1 A 21 21 VAL C C 21 179.541 178.290 1.251 1
1 154 . 4 1 1 A 21 21 VAL CA C 21 66.327 66.152 0.175 1
1 155 . 4 1 1 A 21 21 VAL CB C 21 31.509 31.432 0.077 1
1 158 . 4 1 1 A 21 21 VAL N N 21 119.151 119.154 -0.003 1
1 159 . 4 1 1 A 22 22 LEU H H 22 7.898 8.312 -0.414 1
1 160 . 4 1 1 A 22 22 LEU HA H 22 3.513 3.803 -0.290 1
1 170 . 4 1 1 A 22 22 LEU C C 22 177.527 179.003 -1.476 1
1 171 . 4 1 1 A 22 22 LEU CA C 22 58.181 58.078 0.103 1
1 172 . 4 1 1 A 22 22 LEU CB C 22 38.573 40.572 -1.999 1
1 176 . 4 1 1 A 22 22 LEU N N 22 119.825 119.995 -0.170 1
1 177 . 4 1 1 A 23 23 GLN H H 23 8.171 8.225 -0.054 1
1 178 . 4 1 1 A 23 23 GLN HA H 23 3.925 3.937 -0.012 1
1 185 . 4 1 1 A 23 23 GLN C C 23 178.061 177.637 0.424 1
1 186 . 4 1 1 A 23 23 GLN CA C 23 58.832 58.925 -0.093 1
1 187 . 4 1 1 A 23 23 GLN CB C 23 28.769 28.546 0.223 1
1 189 . 4 1 1 A 23 23 GLN N N 23 118.186 118.070 0.116 1
1 191 . 4 1 1 A 24 24 ASP H H 24 8.446 7.944 0.502 1
1 192 . 4 1 1 A 24 24 ASP HA H 24 4.373 4.426 -0.053 1
1 195 . 4 1 1 A 24 24 ASP C C 24 179.347 178.602 0.745 1
1 196 . 4 1 1 A 24 24 ASP CA C 24 57.294 57.261 0.033 1
1 197 . 4 1 1 A 24 24 ASP CB C 24 40.035 41.130 -1.095 1
1 198 . 4 1 1 A 24 24 ASP N N 24 118.634 119.552 -0.918 1
1 199 . 4 1 1 A 25 25 PHE H H 25 8.224 8.170 0.054 1
1 200 . 4 1 1 A 25 25 PHE HA H 25 4.062 4.294 -0.232 1
1 208 . 4 1 1 A 25 25 PHE C C 25 177.891 177.638 0.253 1
1 209 . 4 1 1 A 25 25 PHE CA C 25 61.546 60.869 0.677 1
1 210 . 4 1 1 A 25 25 PHE CB C 25 39.246 39.099 0.147 1
1 216 . 4 1 1 A 25 25 PHE N N 25 121.633 119.839 1.794 1
1 217 . 4 1 1 A 26 26 PHE H H 26 9.167 8.201 0.966 1
1 218 . 4 1 1 A 26 26 PHE HA H 26 4.302 4.606 -0.304 1
1 226 . 4 1 1 A 26 26 PHE C C 26 176.531 176.985 -0.454 1
1 227 . 4 1 1 A 26 26 PHE CA C 26 61.476 61.443 0.033 1
1 228 . 4 1 1 A 26 26 PHE CB C 26 39.471 38.884 0.587 1
1 234 . 4 1 1 A 26 26 PHE N N 26 121.265 120.011 1.254 1
1 235 . 4 1 1 A 27 27 ASP H H 27 8.654 8.425 0.229 1
1 236 . 4 1 1 A 27 27 ASP HA H 27 4.238 4.487 -0.249 1
1 239 . 4 1 1 A 27 27 ASP C C 27 177.429 177.355 0.074 1
1 240 . 4 1 1 A 27 27 ASP CA C 27 56.717 57.376 -0.659 1
1 241 . 4 1 1 A 27 27 ASP CB C 27 40.406 41.914 -1.508 1
1 242 . 4 1 1 A 27 27 ASP N N 27 116.555 119.376 -2.821 1
1 243 . 4 1 1 A 28 28 ALA H H 28 7.262 7.774 -0.512 1
1 244 . 4 1 1 A 28 28 ALA HA H 28 4.316 4.308 0.008 1
1 248 . 4 1 1 A 28 28 ALA C C 28 177.891 177.389 0.502 1
1 249 . 4 1 1 A 28 28 ALA CA C 28 52.839 53.475 -0.636 1
1 250 . 4 1 1 A 28 28 ALA CB C 28 19.698 20.027 -0.329 1
1 251 . 4 1 1 A 28 28 ALA N N 28 120.441 119.434 1.007 1
1 252 . 4 1 1 A 29 29 ASN H H 29 8.346 8.351 -0.005 1
1 253 . 4 1 1 A 29 29 ASN HA H 29 4.432 5.035 -0.603 1
1 258 . 4 1 1 A 29 29 ASN C C 29 172.259 174.459 -2.200 1
1 259 . 4 1 1 A 29 29 ASN CA C 29 52.943 52.474 0.469 1
1 260 . 4 1 1 A 29 29 ASN CB C 29 38.435 41.487 -3.052 1
1 261 . 4 1 1 A 29 29 ASN N N 29 118.701 114.861 3.840 1
1 263 . 4 1 1 A 30 30 ALA H H 30 8.177 8.675 -0.498 1
1 264 . 4 1 1 A 30 30 ALA HA H 30 4.010 4.819 -0.809 1
1 268 . 4 1 1 A 30 30 ALA C C 30 176.798 176.743 0.055 1
1 269 . 4 1 1 A 30 30 ALA CA C 30 52.980 50.966 2.014 1
1 270 . 4 1 1 A 30 30 ALA CB C 30 19.233 19.542 -0.309 1
1 271 . 4 1 1 A 30 30 ALA N N 30 124.112 127.825 -3.713 1
1 272 . 4 1 1 A 31 31 TYR H H 31 7.984 7.836 0.148 1
1 273 . 4 1 1 A 31 31 TYR HA H 31 4.672 5.161 -0.489 1
1 280 . 4 1 1 A 31 31 TYR C C 31 172.283 173.127 -0.844 1
1 281 . 4 1 1 A 31 31 TYR CA C 31 55.483 55.561 -0.078 1
1 282 . 4 1 1 A 31 31 TYR CB C 31 39.058 38.328 0.730 1
1 287 . 4 1 1 A 31 31 TYR N N 31 115.568 117.724 -2.156 1
1 288 . 4 1 1 A 32 32 PRO HA H 32 4.249 4.705 -0.456 1
1 295 . 4 1 1 A 32 32 PRO C C 32 176.871 176.529 0.342 1
1 296 . 4 1 1 A 32 32 PRO CA C 32 62.710 62.802 -0.092 1
1 297 . 4 1 1 A 32 32 PRO CB C 32 29.959 32.602 -2.643 1
1 300 . 4 1 1 A 33 33 LYS H H 33 9.168 8.715 0.453 1
1 301 . 4 1 1 A 33 33 LYS HA H 33 4.426 4.803 -0.377 1
1 310 . 4 1 1 A 33 33 LYS C C 33 178.061 177.705 0.356 1
1 311 . 4 1 1 A 33 33 LYS CA C 33 55.236 55.056 0.180 1
1 312 . 4 1 1 A 33 33 LYS CB C 33 33.980 33.916 0.064 1
1 316 . 4 1 1 A 33 33 LYS N N 33 121.451 120.944 0.507 1
1 317 . 4 1 1 A 34 34 ASP H H 34 9.017 9.175 -0.158 1
1 318 . 4 1 1 A 34 34 ASP HA H 34 4.566 4.379 0.187 1
1 321 . 4 1 1 A 34 34 ASP C C 34 179.007 177.916 1.091 1
1 322 . 4 1 1 A 34 34 ASP CA C 34 58.973 57.127 1.846 1
1 323 . 4 1 1 A 34 34 ASP CB C 34 39.834 40.027 -0.193 1
1 324 . 4 1 1 A 34 34 ASP N N 34 122.268 121.748 0.520 1
1 325 . 4 1 1 A 35 35 ASP H H 35 8.955 8.334 0.621 1
1 326 . 4 1 1 A 35 35 ASP HA H 35 4.408 4.316 0.092 1
1 329 . 4 1 1 A 35 35 ASP C C 35 178.837 178.760 0.077 1
1 330 . 4 1 1 A 35 35 ASP CA C 35 56.611 57.969 -1.358 1
1 331 . 4 1 1 A 35 35 ASP CB C 35 39.609 41.574 -1.965 1
1 332 . 4 1 1 A 35 35 ASP N N 35 116.861 119.901 -3.040 1
1 333 . 4 1 1 A 36 36 GLU H H 36 7.208 7.940 -0.732 1
1 334 . 4 1 1 A 36 36 GLU HA H 36 4.051 4.022 0.029 1
1 339 . 4 1 1 A 36 36 GLU C C 36 179.226 179.130 0.096 1
1 340 . 4 1 1 A 36 36 GLU CA C 36 58.761 59.150 -0.389 1
1 341 . 4 1 1 A 36 36 GLU CB C 36 29.689 29.332 0.357 1
1 343 . 4 1 1 A 36 36 GLU N N 36 121.585 118.704 2.881 1
1 344 . 4 1 1 A 37 37 PHE H H 37 7.997 8.507 -0.510 1
1 345 . 4 1 1 A 37 37 PHE HA H 37 4.164 3.975 0.189 1
1 353 . 4 1 1 A 37 37 PHE C C 37 178.400 178.201 0.199 1
1 354 . 4 1 1 A 37 37 PHE CA C 37 61.915 61.273 0.642 1
1 355 . 4 1 1 A 37 37 PHE CB C 37 38.320 38.132 0.188 1
1 361 . 4 1 1 A 37 37 PHE N N 37 118.258 119.097 -0.839 1
1 362 . 4 1 1 A 38 38 GLU H H 38 7.806 8.324 -0.518 1
1 363 . 4 1 1 A 38 38 GLU HA H 38 4.027 3.859 0.168 1
1 368 . 4 1 1 A 38 38 GLU C C 38 178.764 179.265 -0.501 1
1 369 . 4 1 1 A 38 38 GLU CA C 38 59.325 60.024 -0.699 1
1 370 . 4 1 1 A 38 38 GLU CB C 38 29.083 29.181 -0.098 1
1 372 . 4 1 1 A 38 38 GLU N N 38 118.433 119.064 -0.631 1
1 373 . 4 1 1 A 39 39 GLN H H 39 7.845 8.215 -0.370 1
1 374 . 4 1 1 A 39 39 GLN HA H 39 4.149 3.913 0.236 1
1 381 . 4 1 1 A 39 39 GLN C C 39 179.541 178.879 0.662 1
1 382 . 4 1 1 A 39 39 GLN CA C 39 59.184 58.937 0.247 1
1 383 . 4 1 1 A 39 39 GLN CB C 39 28.097 27.989 0.108 1
1 385 . 4 1 1 A 39 39 GLN N N 39 119.859 118.964 0.895 1
1 387 . 4 1 1 A 40 40 LEU H H 40 8.130 7.467 0.663 1
1 388 . 4 1 1 A 40 40 LEU HA H 40 3.938 4.032 -0.094 1
1 398 . 4 1 1 A 40 40 LEU C C 40 178.158 178.774 -0.616 1
1 399 . 4 1 1 A 40 40 LEU CA C 40 58.092 57.549 0.543 1
1 400 . 4 1 1 A 40 40 LEU CB C 40 43.194 41.108 2.086 1
1 404 . 4 1 1 A 40 40 LEU N N 40 120.785 120.102 0.683 1
1 405 . 4 1 1 A 41 41 SER H H 41 8.241 8.010 0.231 1
1 406 . 4 1 1 A 41 41 SER HA H 41 4.251 4.341 -0.090 1
1 409 . 4 1 1 A 41 41 SER C C 41 177.891 177.018 0.873 1
1 410 . 4 1 1 A 41 41 SER CA C 41 61.194 61.298 -0.104 1
1 411 . 4 1 1 A 41 41 SER CB C 41 63.501 63.044 0.457 1
1 412 . 4 1 1 A 41 41 SER N N 41 114.804 114.129 0.675 1
1 413 . 4 1 1 A 42 42 ASN H H 42 7.969 8.225 -0.256 1
1 414 . 4 1 1 A 42 42 ASN HA H 42 4.515 4.609 -0.094 1
1 419 . 4 1 1 A 42 42 ASN C C 42 177.381 178.069 -0.688 1
1 420 . 4 1 1 A 42 42 ASN CA C 42 55.871 56.373 -0.502 1
1 421 . 4 1 1 A 42 42 ASN CB C 42 38.920 38.835 0.085 1
1 422 . 4 1 1 A 42 42 ASN N N 42 118.051 119.515 -1.464 1
1 424 . 4 1 1 A 43 43 LEU H H 43 8.169 7.541 0.628 1
1 425 . 4 1 1 A 43 43 LEU HA H 43 4.189 4.107 0.082 1
1 435 . 4 1 1 A 43 43 LEU C C 43 178.837 178.789 0.048 1
1 436 . 4 1 1 A 43 43 LEU CA C 43 57.845 58.123 -0.278 1
1 437 . 4 1 1 A 43 43 LEU CB C 43 43.382 41.987 1.395 1
1 441 . 4 1 1 A 43 43 LEU N N 43 120.419 121.087 -0.668 1
1 442 . 4 1 1 A 44 44 LEU H H 44 8.185 8.069 0.116 1
1 443 . 4 1 1 A 44 44 LEU HA H 44 4.445 4.172 0.273 1
1 453 . 4 1 1 A 44 44 LEU C C 44 176.677 175.969 0.708 1
1 454 . 4 1 1 A 44 44 LEU CA C 44 54.397 54.880 -0.483 1
1 455 . 4 1 1 A 44 44 LEU CB C 44 43.111 42.007 1.104 1
1 459 . 4 1 1 A 44 44 LEU N N 44 113.030 118.197 -5.167 1
1 460 . 4 1 1 A 45 45 ASN H H 45 8.100 8.011 0.089 1
1 461 . 4 1 1 A 45 45 ASN HA H 45 4.440 4.676 -0.236 1
1 466 . 4 1 1 A 45 45 ASN C C 45 174.395 173.695 0.700 1
1 467 . 4 1 1 A 45 45 ASN CA C 45 54.073 54.542 -0.469 1
1 468 . 4 1 1 A 45 45 ASN CB C 45 36.970 36.733 0.237 1
1 469 . 4 1 1 A 45 45 ASN N N 45 117.438 115.573 1.865 1
1 471 . 4 1 1 A 46 46 LEU H H 46 7.476 7.454 0.022 1
1 472 . 4 1 1 A 46 46 LEU HA H 46 4.980 4.833 0.147 1
1 482 . 4 1 1 A 46 46 LEU C C 46 173.691 174.596 -0.905 1
1 483 . 4 1 1 A 46 46 LEU CA C 46 51.032 51.611 -0.579 1
1 484 . 4 1 1 A 46 46 LEU CB C 46 46.668 44.139 2.529 1
1 488 . 4 1 1 A 46 46 LEU N N 46 117.604 119.232 -1.628 1
1 489 . 4 1 1 A 47 47 PRO HA H 47 4.515 4.661 -0.146 1
1 496 . 4 1 1 A 47 47 PRO C C 47 177.915 177.664 0.251 1
1 497 . 4 1 1 A 47 47 PRO CA C 47 62.392 62.981 -0.589 1
1 498 . 4 1 1 A 47 47 PRO CB C 47 32.592 31.981 0.611 1
1 501 . 4 1 1 A 48 48 THR H H 48 8.818 8.680 0.138 1
1 502 . 4 1 1 A 48 48 THR HA H 48 3.590 3.999 -0.409 1
1 507 . 4 1 1 A 48 48 THR C C 48 176.628 175.917 0.711 1
1 508 . 4 1 1 A 48 48 THR CA C 48 67.384 65.560 1.824 1
1 509 . 4 1 1 A 48 48 THR CB C 48 67.996 68.453 -0.457 1
1 511 . 4 1 1 A 48 48 THR N N 48 120.240 118.443 1.797 1
1 512 . 4 1 1 A 49 49 ARG H H 49 8.750 8.253 0.497 1
1 513 . 4 1 1 A 49 49 ARG HA H 49 3.899 4.058 -0.159 1
1 520 . 4 1 1 A 49 49 ARG C C 49 178.012 178.219 -0.207 1
1 521 . 4 1 1 A 49 49 ARG CA C 49 59.079 58.579 0.500 1
1 522 . 4 1 1 A 49 49 ARG CB C 49 29.474 29.922 -0.448 1
1 525 . 4 1 1 A 49 49 ARG N N 49 117.541 120.942 -3.401 1
1 526 . 4 1 1 A 50 50 VAL H H 50 6.994 8.110 -1.116 1
1 527 . 4 1 1 A 50 50 VAL HA H 50 3.885 3.784 0.101 1
1 535 . 4 1 1 A 50 50 VAL C C 50 178.400 178.638 -0.238 1
1 536 . 4 1 1 A 50 50 VAL CA C 50 65.099 66.121 -1.022 1
1 537 . 4 1 1 A 50 50 VAL CB C 50 31.909 31.640 0.269 1
1 540 . 4 1 1 A 50 50 VAL N N 50 115.765 120.228 -4.463 1
1 541 . 4 1 1 A 51 51 ILE H H 51 7.358 7.896 -0.538 1
1 542 . 4 1 1 A 51 51 ILE HA H 51 3.814 3.889 -0.075 1
1 552 . 4 1 1 A 51 51 ILE C C 51 177.648 179.088 -1.440 1
1 553 . 4 1 1 A 51 51 ILE CA C 51 65.318 63.980 1.338 1
1 554 . 4 1 1 A 51 51 ILE CB C 51 38.017 36.941 1.076 1
1 558 . 4 1 1 A 51 51 ILE N N 51 122.170 120.085 2.085 1
1 559 . 4 1 1 A 52 52 VAL H H 52 8.401 8.570 -0.169 1
1 560 . 4 1 1 A 52 52 VAL HA H 52 3.290 3.663 -0.373 1
1 568 . 4 1 1 A 52 52 VAL C C 52 179.177 178.054 1.123 1
1 569 . 4 1 1 A 52 52 VAL CA C 52 67.021 66.803 0.218 1
1 570 . 4 1 1 A 52 52 VAL CB C 52 31.583 31.706 -0.123 1
1 573 . 4 1 1 A 52 52 VAL N N 52 121.321 122.157 -0.836 1
1 574 . 4 1 1 A 53 53 VAL H H 53 7.691 7.641 0.050 1
1 575 . 4 1 1 A 53 53 VAL HA H 53 3.711 3.757 -0.046 1
1 583 . 4 1 1 A 53 53 VAL C C 53 177.648 178.292 -0.644 1
1 584 . 4 1 1 A 53 53 VAL CA C 53 66.531 66.415 0.116 1
1 585 . 4 1 1 A 53 53 VAL CB C 53 31.936 31.635 0.301 1
1 588 . 4 1 1 A 53 53 VAL N N 53 119.305 119.189 0.116 1
1 589 . 4 1 1 A 54 54 TRP H H 54 8.127 7.918 0.209 1
1 590 . 4 1 1 A 54 54 TRP HA H 54 4.016 4.300 -0.284 1
1 599 . 4 1 1 A 54 54 TRP C C 54 180.100 178.322 1.778 1
1 600 . 4 1 1 A 54 54 TRP CA C 54 63.534 61.432 2.102 1
1 601 . 4 1 1 A 54 54 TRP CB C 54 28.747 29.508 -0.761 1
1 607 . 4 1 1 A 54 54 TRP N N 54 122.197 121.663 0.534 1
1 609 . 4 1 1 A 55 55 PHE H H 55 8.964 8.653 0.311 1
1 610 . 4 1 1 A 55 55 PHE HA H 55 3.843 4.416 -0.573 1
1 618 . 4 1 1 A 55 55 PHE C C 55 178.158 178.396 -0.238 1
1 619 . 4 1 1 A 55 55 PHE CA C 55 63.309 62.732 0.577 1
1 620 . 4 1 1 A 55 55 PHE CB C 55 39.818 39.106 0.712 1
1 626 . 4 1 1 A 55 55 PHE N N 55 119.663 118.544 1.119 1
1 627 . 4 1 1 A 56 56 GLN H H 56 8.412 8.757 -0.345 1
1 628 . 4 1 1 A 56 56 GLN HA H 56 3.984 3.939 0.045 1
1 635 . 4 1 1 A 56 56 GLN C C 56 179.420 179.227 0.193 1
1 636 . 4 1 1 A 56 56 GLN CA C 56 59.678 59.199 0.479 1
1 637 . 4 1 1 A 56 56 GLN CB C 56 27.981 28.236 -0.255 1
1 639 . 4 1 1 A 56 56 GLN N N 56 118.932 117.637 1.295 1
1 641 . 4 1 1 A 57 57 ASN H H 57 8.358 7.777 0.581 1
1 642 . 4 1 1 A 57 57 ASN HA H 57 4.302 4.455 -0.153 1
1 647 . 4 1 1 A 57 57 ASN C C 57 177.308 177.705 -0.397 1
1 648 . 4 1 1 A 57 57 ASN CA C 57 55.836 56.040 -0.204 1
1 649 . 4 1 1 A 57 57 ASN CB C 57 38.123 38.429 -0.306 1
1 650 . 4 1 1 A 57 57 ASN N N 57 118.552 118.395 0.157 1
1 652 . 4 1 1 A 58 58 ALA H H 58 8.097 7.852 0.245 1
1 653 . 4 1 1 A 58 58 ALA HA H 58 3.280 3.426 -0.146 1
1 657 . 4 1 1 A 58 58 ALA C C 58 180.512 179.618 0.894 1
1 658 . 4 1 1 A 58 58 ALA CA C 58 54.711 54.479 0.232 1
1 659 . 4 1 1 A 58 58 ALA CB C 58 16.685 17.252 -0.567 1
1 660 . 4 1 1 A 58 58 ALA N N 58 125.426 121.805 3.621 1
1 661 . 4 1 1 A 59 59 ARG H H 59 8.104 7.477 0.627 1
1 662 . 4 1 1 A 59 59 ARG HA H 59 4.159 4.392 -0.233 1
1 669 . 4 1 1 A 59 59 ARG C C 59 178.570 178.819 -0.249 1
1 670 . 4 1 1 A 59 59 ARG CA C 59 59.916 59.579 0.337 1
1 671 . 4 1 1 A 59 59 ARG CB C 59 31.344 30.325 1.019 1
1 674 . 4 1 1 A 59 59 ARG N N 59 117.308 117.870 -0.562 1
1 675 . 4 1 1 A 60 60 GLN H H 60 7.532 8.156 -0.624 1
1 676 . 4 1 1 A 60 60 GLN HA H 60 4.118 4.095 0.023 1
1 683 . 4 1 1 A 60 60 GLN C C 60 178.036 177.554 0.482 1
1 684 . 4 1 1 A 60 60 GLN CA C 60 58.021 58.518 -0.497 1
1 685 . 4 1 1 A 60 60 GLN CB C 60 28.460 27.738 0.722 1
1 687 . 4 1 1 A 60 60 GLN N N 60 118.195 118.182 0.013 1
1 689 . 4 1 1 A 61 61 LYS H H 61 7.738 8.287 -0.549 1
1 690 . 4 1 1 A 61 61 LYS HA H 61 4.038 3.981 0.057 1
1 699 . 4 1 1 A 61 61 LYS C C 61 177.454 179.213 -1.759 1
1 700 . 4 1 1 A 61 61 LYS CA C 61 57.938 59.058 -1.120 1
1 701 . 4 1 1 A 61 61 LYS CB C 61 32.497 31.981 0.516 1
1 705 . 4 1 1 A 61 61 LYS N N 61 119.476 118.688 0.788 1
1 706 . 4 1 1 A 62 62 ALA H H 62 7.699 7.843 -0.144 1
1 707 . 4 1 1 A 62 62 ALA HA H 62 4.265 4.035 0.230 1
1 711 . 4 1 1 A 62 62 ALA C C 62 177.818 179.795 -1.977 1
1 712 . 4 1 1 A 62 62 ALA CA C 62 52.945 55.024 -2.079 1
1 713 . 4 1 1 A 62 62 ALA CB C 62 18.904 18.235 0.669 1
1 714 . 4 1 1 A 62 62 ALA N N 62 121.322 122.332 -1.010 1
1 715 . 4 1 1 A 63 63 ARG H H 63 7.831 7.644 0.187 1
1 716 . 4 1 1 A 63 63 ARG HA H 63 4.237 4.099 0.138 1
1 722 . 4 1 1 A 63 63 ARG C C 63 176.580 178.489 -1.909 1
1 723 . 4 1 1 A 63 63 ARG CA C 63 56.717 59.096 -2.379 1
1 724 . 4 1 1 A 63 63 ARG CB C 63 30.124 29.929 0.195 1
1 727 . 4 1 1 A 63 63 ARG N N 63 118.592 117.200 1.392 1
1 728 . 4 1 1 A 64 64 LYS H H 64 8.213 7.866 0.347 1
1 729 . 4 1 1 A 64 64 LYS HA H 64 4.365 4.044 0.321 1
1 738 . 4 1 1 A 64 64 LYS C C 64 176.677 177.724 -1.047 1
1 739 . 4 1 1 A 64 64 LYS CA C 64 56.329 59.468 -3.139 1
1 740 . 4 1 1 A 64 64 LYS CB C 64 32.906 32.325 0.581 1
1 744 . 4 1 1 A 64 64 LYS N N 64 121.456 120.214 1.242 1
1 745 . 4 1 1 A 65 65 SER H H 65 8.289 7.233 1.056 1
1 746 . 4 1 1 A 65 65 SER HA H 65 4.510 4.268 0.242 1
1 749 . 4 1 1 A 65 65 SER C C 65 174.492 174.030 0.462 1
1 750 . 4 1 1 A 65 65 SER CA C 65 58.303 59.675 -1.372 1
1 751 . 4 1 1 A 65 65 SER CB C 65 64.052 63.540 0.512 1
1 752 . 4 1 1 A 65 65 SER N N 65 116.719 115.244 1.475 1
1 753 . 4 1 1 A 66 66 GLY H H 66 8.242 8.162 0.080 1
1 754 . 4 1 1 A 66 66 GLY HA2 H 66 4.120 4.223 -0.103 1
1 755 . 4 1 1 A 66 66 GLY HA3 H 66 4.148 4.223 -0.075 1
1 756 . 4 1 1 A 66 66 GLY C C 66 171.798 172.448 -0.650 1
1 757 . 4 1 1 A 66 66 GLY CA C 66 44.687 46.146 -1.459 1
1 758 . 4 1 1 A 66 66 GLY N N 66 110.632 113.290 -2.658 1
1 759 . 4 1 1 A 67 67 PRO HA H 67 4.458 4.711 -0.253 1
1 766 . 4 1 1 A 67 67 PRO C C 67 177.429 177.108 0.321 1
1 767 . 4 1 1 A 67 67 PRO CA C 67 63.309 62.310 0.999 1
1 768 . 4 1 1 A 67 67 PRO CB C 67 32.200 30.006 2.194 1
1 771 . 4 1 1 A 68 68 SER H H 68 8.535 8.490 0.045 1
1 772 . 4 1 1 A 68 68 SER HA H 68 4.482 4.564 -0.082 1
1 775 . 4 1 1 A 68 68 SER C C 68 174.638 174.686 -0.048 1
1 776 . 4 1 1 A 68 68 SER CA C 68 58.444 58.708 -0.264 1
1 777 . 4 1 1 A 68 68 SER CB C 68 63.838 63.937 -0.099 1
1 778 . 4 1 1 A 68 68 SER N N 68 116.359 118.188 -1.829 1
1 779 . 4 1 1 A 69 69 SER H H 69 8.300 7.685 0.615 1
1 780 . 4 1 1 A 69 69 SER HA H 69 4.477 4.744 -0.267 1
1 783 . 4 1 1 A 69 69 SER C C 69 173.934 174.175 -0.241 1
1 784 . 4 1 1 A 69 69 SER CA C 69 58.374 57.555 0.819 1
1 785 . 4 1 1 A 69 69 SER CB C 69 64.134 65.878 -1.744 1
1 786 . 4 1 1 A 69 69 SER N N 69 117.715 112.831 4.884 1
1 1 . 5 1 1 A 10 10 SER HA H 10 4.461 5.011 -0.550 1
1 4 . 5 1 1 A 10 10 SER C C 10 174.492 172.967 1.525 1
1 5 . 5 1 1 A 10 10 SER CA C 10 58.479 57.435 1.044 1
1 6 . 5 1 1 A 10 10 SER CB C 10 63.932 64.192 -0.260 1
1 7 . 5 1 1 A 11 11 ARG H H 11 8.318 8.530 -0.212 1
1 8 . 5 1 1 A 11 11 ARG HA H 11 4.391 5.164 -0.773 1
1 15 . 5 1 1 A 11 11 ARG C C 11 176.264 174.793 1.471 1
1 16 . 5 1 1 A 11 11 ARG CA C 11 56.118 54.709 1.409 1
1 17 . 5 1 1 A 11 11 ARG CB C 11 30.849 32.485 -1.636 1
1 20 . 5 1 1 A 11 11 ARG N N 11 122.795 122.667 0.128 1
1 21 . 5 1 1 A 12 12 THR H H 12 8.159 8.736 -0.577 1
1 22 . 5 1 1 A 12 12 THR HA H 12 4.150 4.687 -0.537 1
1 27 . 5 1 1 A 12 12 THR C C 12 173.740 172.262 1.478 1
1 28 . 5 1 1 A 12 12 THR CA C 12 62.463 60.017 2.446 1
1 29 . 5 1 1 A 12 12 THR CB C 12 69.770 71.203 -1.433 1
1 31 . 5 1 1 A 12 12 THR N N 12 117.261 119.159 -1.898 1
1 32 . 5 1 1 A 13 13 ARG H H 13 8.319 8.811 -0.492 1
1 33 . 5 1 1 A 13 13 ARG HA H 13 4.332 4.558 -0.226 1
1 40 . 5 1 1 A 13 13 ARG C C 13 175.560 174.800 0.760 1
1 41 . 5 1 1 A 13 13 ARG CA C 13 55.518 54.995 0.523 1
1 42 . 5 1 1 A 13 13 ARG CB C 13 30.763 30.825 -0.062 1
1 45 . 5 1 1 A 13 13 ARG N N 13 125.163 127.341 -2.178 1
1 46 . 5 1 1 A 14 14 PHE H H 14 8.195 8.733 -0.538 1
1 47 . 5 1 1 A 14 14 PHE HA H 14 4.952 4.743 0.209 1
1 55 . 5 1 1 A 14 14 PHE C C 14 176.993 175.425 1.568 1
1 56 . 5 1 1 A 14 14 PHE CA C 14 56.859 58.054 -1.195 1
1 57 . 5 1 1 A 14 14 PHE CB C 14 41.107 40.217 0.890 1
1 63 . 5 1 1 A 14 14 PHE N N 14 121.558 124.280 -2.722 1
1 64 . 5 1 1 A 15 15 THR H H 15 8.999 8.390 0.609 1
1 65 . 5 1 1 A 15 15 THR HA H 15 4.491 4.897 -0.406 1
1 70 . 5 1 1 A 15 15 THR C C 15 174.856 175.123 -0.267 1
1 71 . 5 1 1 A 15 15 THR CA C 15 60.559 59.603 0.956 1
1 72 . 5 1 1 A 15 15 THR CB C 15 70.890 70.814 0.076 1
1 74 . 5 1 1 A 15 15 THR N N 15 113.369 115.604 -2.235 1
1 75 . 5 1 1 A 16 16 ASP H H 16 8.906 9.223 -0.317 1
1 76 . 5 1 1 A 16 16 ASP HA H 16 4.333 4.267 0.066 1
1 79 . 5 1 1 A 16 16 ASP C C 16 178.764 177.940 0.824 1
1 80 . 5 1 1 A 16 16 ASP CA C 16 57.911 58.215 -0.304 1
1 81 . 5 1 1 A 16 16 ASP CB C 16 39.994 40.407 -0.413 1
1 82 . 5 1 1 A 16 16 ASP N N 16 120.884 127.287 -6.403 1
1 83 . 5 1 1 A 17 17 TYR H H 17 8.356 8.170 0.186 1
1 84 . 5 1 1 A 17 17 TYR HA H 17 4.211 4.101 0.110 1
1 91 . 5 1 1 A 17 17 TYR C C 17 176.264 178.012 -1.748 1
1 92 . 5 1 1 A 17 17 TYR CA C 17 61.045 61.774 -0.729 1
1 93 . 5 1 1 A 17 17 TYR CB C 17 38.666 38.648 0.018 1
1 98 . 5 1 1 A 17 17 TYR N N 17 119.909 122.229 -2.320 1
1 99 . 5 1 1 A 18 18 GLN H H 18 7.582 8.245 -0.663 1
1 100 . 5 1 1 A 18 18 GLN HA H 18 3.482 3.564 -0.082 1
1 107 . 5 1 1 A 18 18 GLN C C 18 177.502 178.479 -0.977 1
1 108 . 5 1 1 A 18 18 GLN CA C 18 58.726 58.564 0.162 1
1 109 . 5 1 1 A 18 18 GLN CB C 18 27.717 28.395 -0.678 1
1 111 . 5 1 1 A 18 18 GLN N N 18 116.647 118.887 -2.240 1
1 113 . 5 1 1 A 19 19 LEU H H 19 8.170 8.774 -0.604 1
1 114 . 5 1 1 A 19 19 LEU HA H 19 3.508 3.679 -0.171 1
1 124 . 5 1 1 A 19 19 LEU C C 19 178.546 179.388 -0.842 1
1 125 . 5 1 1 A 19 19 LEU CA C 19 57.625 57.774 -0.149 1
1 126 . 5 1 1 A 19 19 LEU CB C 19 41.812 41.005 0.807 1
1 130 . 5 1 1 A 19 19 LEU N N 19 115.406 119.550 -4.144 1
1 131 . 5 1 1 A 20 20 ARG H H 20 7.792 8.154 -0.362 1
1 132 . 5 1 1 A 20 20 ARG HA H 20 3.917 3.941 -0.024 1
1 138 . 5 1 1 A 20 20 ARG C C 20 178.036 178.785 -0.749 1
1 139 . 5 1 1 A 20 20 ARG CA C 20 59.026 59.204 -0.178 1
1 140 . 5 1 1 A 20 20 ARG CB C 20 29.861 29.919 -0.058 1
1 143 . 5 1 1 A 20 20 ARG N N 20 120.360 120.314 0.046 1
1 144 . 5 1 1 A 21 21 VAL H H 21 7.601 7.264 0.337 1
1 145 . 5 1 1 A 21 21 VAL HA H 21 3.533 3.576 -0.043 1
1 153 . 5 1 1 A 21 21 VAL C C 21 179.541 178.346 1.195 1
1 154 . 5 1 1 A 21 21 VAL CA C 21 66.327 66.334 -0.007 1
1 155 . 5 1 1 A 21 21 VAL CB C 21 31.509 31.420 0.089 1
1 158 . 5 1 1 A 21 21 VAL N N 21 119.151 118.988 0.163 1
1 159 . 5 1 1 A 22 22 LEU H H 22 7.898 8.246 -0.348 1
1 160 . 5 1 1 A 22 22 LEU HA H 22 3.513 3.810 -0.297 1
1 170 . 5 1 1 A 22 22 LEU C C 22 177.527 178.963 -1.436 1
1 171 . 5 1 1 A 22 22 LEU CA C 22 58.181 57.821 0.360 1
1 172 . 5 1 1 A 22 22 LEU CB C 22 38.573 40.344 -1.771 1
1 176 . 5 1 1 A 22 22 LEU N N 22 119.825 119.789 0.036 1
1 177 . 5 1 1 A 23 23 GLN H H 23 8.171 8.192 -0.021 1
1 178 . 5 1 1 A 23 23 GLN HA H 23 3.925 3.986 -0.061 1
1 185 . 5 1 1 A 23 23 GLN C C 23 178.061 177.651 0.410 1
1 186 . 5 1 1 A 23 23 GLN CA C 23 58.832 58.972 -0.140 1
1 187 . 5 1 1 A 23 23 GLN CB C 23 28.769 28.590 0.179 1
1 189 . 5 1 1 A 23 23 GLN N N 23 118.186 118.555 -0.369 1
1 191 . 5 1 1 A 24 24 ASP H H 24 8.446 8.154 0.292 1
1 192 . 5 1 1 A 24 24 ASP HA H 24 4.373 4.427 -0.054 1
1 195 . 5 1 1 A 24 24 ASP C C 24 179.347 178.713 0.634 1
1 196 . 5 1 1 A 24 24 ASP CA C 24 57.294 57.267 0.027 1
1 197 . 5 1 1 A 24 24 ASP CB C 24 40.035 41.090 -1.055 1
1 198 . 5 1 1 A 24 24 ASP N N 24 118.634 119.645 -1.011 1
1 199 . 5 1 1 A 25 25 PHE H H 25 8.224 8.225 -0.001 1
1 200 . 5 1 1 A 25 25 PHE HA H 25 4.062 4.311 -0.249 1
1 208 . 5 1 1 A 25 25 PHE C C 25 177.891 177.642 0.249 1
1 209 . 5 1 1 A 25 25 PHE CA C 25 61.546 60.893 0.653 1
1 210 . 5 1 1 A 25 25 PHE CB C 25 39.246 39.086 0.160 1
1 216 . 5 1 1 A 25 25 PHE N N 25 121.633 119.848 1.785 1
1 217 . 5 1 1 A 26 26 PHE H H 26 9.167 8.107 1.060 1
1 218 . 5 1 1 A 26 26 PHE HA H 26 4.302 4.639 -0.337 1
1 226 . 5 1 1 A 26 26 PHE C C 26 176.531 177.133 -0.602 1
1 227 . 5 1 1 A 26 26 PHE CA C 26 61.476 61.359 0.117 1
1 228 . 5 1 1 A 26 26 PHE CB C 26 39.471 38.883 0.588 1
1 234 . 5 1 1 A 26 26 PHE N N 26 121.265 120.046 1.219 1
1 235 . 5 1 1 A 27 27 ASP H H 27 8.654 8.465 0.189 1
1 236 . 5 1 1 A 27 27 ASP HA H 27 4.238 4.489 -0.251 1
1 239 . 5 1 1 A 27 27 ASP C C 27 177.429 177.384 0.045 1
1 240 . 5 1 1 A 27 27 ASP CA C 27 56.717 57.475 -0.758 1
1 241 . 5 1 1 A 27 27 ASP CB C 27 40.406 41.856 -1.450 1
1 242 . 5 1 1 A 27 27 ASP N N 27 116.555 119.485 -2.930 1
1 243 . 5 1 1 A 28 28 ALA H H 28 7.262 7.682 -0.420 1
1 244 . 5 1 1 A 28 28 ALA HA H 28 4.316 4.314 0.002 1
1 248 . 5 1 1 A 28 28 ALA C C 28 177.891 177.453 0.438 1
1 249 . 5 1 1 A 28 28 ALA CA C 28 52.839 53.522 -0.683 1
1 250 . 5 1 1 A 28 28 ALA CB C 28 19.698 19.975 -0.277 1
1 251 . 5 1 1 A 28 28 ALA N N 28 120.441 119.045 1.396 1
1 252 . 5 1 1 A 29 29 ASN H H 29 8.346 8.367 -0.021 1
1 253 . 5 1 1 A 29 29 ASN HA H 29 4.432 5.022 -0.590 1
1 258 . 5 1 1 A 29 29 ASN C C 29 172.259 174.468 -2.209 1
1 259 . 5 1 1 A 29 29 ASN CA C 29 52.943 52.306 0.637 1
1 260 . 5 1 1 A 29 29 ASN CB C 29 38.435 41.399 -2.964 1
1 261 . 5 1 1 A 29 29 ASN N N 29 118.701 114.624 4.077 1
1 263 . 5 1 1 A 30 30 ALA H H 30 8.177 8.609 -0.432 1
1 264 . 5 1 1 A 30 30 ALA HA H 30 4.010 4.762 -0.752 1
1 268 . 5 1 1 A 30 30 ALA C C 30 176.798 176.733 0.065 1
1 269 . 5 1 1 A 30 30 ALA CA C 30 52.980 50.963 2.017 1
1 270 . 5 1 1 A 30 30 ALA CB C 30 19.233 19.437 -0.204 1
1 271 . 5 1 1 A 30 30 ALA N N 30 124.112 128.259 -4.147 1
1 272 . 5 1 1 A 31 31 TYR H H 31 7.984 7.809 0.175 1
1 273 . 5 1 1 A 31 31 TYR HA H 31 4.672 5.161 -0.489 1
1 280 . 5 1 1 A 31 31 TYR C C 31 172.283 173.142 -0.859 1
1 281 . 5 1 1 A 31 31 TYR CA C 31 55.483 55.530 -0.047 1
1 282 . 5 1 1 A 31 31 TYR CB C 31 39.058 38.331 0.727 1
1 287 . 5 1 1 A 31 31 TYR N N 31 115.568 117.731 -2.163 1
1 288 . 5 1 1 A 32 32 PRO HA H 32 4.249 4.715 -0.466 1
1 295 . 5 1 1 A 32 32 PRO C C 32 176.871 176.258 0.613 1
1 296 . 5 1 1 A 32 32 PRO CA C 32 62.710 62.738 -0.028 1
1 297 . 5 1 1 A 32 32 PRO CB C 32 29.959 32.569 -2.610 1
1 300 . 5 1 1 A 33 33 LYS H H 33 9.168 8.552 0.616 1
1 301 . 5 1 1 A 33 33 LYS HA H 33 4.426 4.847 -0.421 1
1 310 . 5 1 1 A 33 33 LYS C C 33 178.061 177.946 0.115 1
1 311 . 5 1 1 A 33 33 LYS CA C 33 55.236 54.867 0.369 1
1 312 . 5 1 1 A 33 33 LYS CB C 33 33.980 34.350 -0.370 1
1 316 . 5 1 1 A 33 33 LYS N N 33 121.451 120.601 0.850 1
1 317 . 5 1 1 A 34 34 ASP H H 34 9.017 8.981 0.036 1
1 318 . 5 1 1 A 34 34 ASP HA H 34 4.566 4.285 0.281 1
1 321 . 5 1 1 A 34 34 ASP C C 34 179.007 178.085 0.922 1
1 322 . 5 1 1 A 34 34 ASP CA C 34 58.973 57.866 1.107 1
1 323 . 5 1 1 A 34 34 ASP CB C 34 39.834 40.412 -0.578 1
1 324 . 5 1 1 A 34 34 ASP N N 34 122.268 121.959 0.309 1
1 325 . 5 1 1 A 35 35 ASP H H 35 8.955 8.295 0.660 1
1 326 . 5 1 1 A 35 35 ASP HA H 35 4.408 4.708 -0.300 1
1 329 . 5 1 1 A 35 35 ASP C C 35 178.837 178.643 0.194 1
1 330 . 5 1 1 A 35 35 ASP CA C 35 56.611 57.811 -1.200 1
1 331 . 5 1 1 A 35 35 ASP CB C 35 39.609 40.831 -1.222 1
1 332 . 5 1 1 A 35 35 ASP N N 35 116.861 119.340 -2.479 1
1 333 . 5 1 1 A 36 36 GLU H H 36 7.208 7.982 -0.774 1
1 334 . 5 1 1 A 36 36 GLU HA H 36 4.051 4.008 0.043 1
1 339 . 5 1 1 A 36 36 GLU C C 36 179.226 179.103 0.123 1
1 340 . 5 1 1 A 36 36 GLU CA C 36 58.761 59.095 -0.334 1
1 341 . 5 1 1 A 36 36 GLU CB C 36 29.689 29.301 0.388 1
1 343 . 5 1 1 A 36 36 GLU N N 36 121.585 118.215 3.370 1
1 344 . 5 1 1 A 37 37 PHE H H 37 7.997 8.574 -0.577 1
1 345 . 5 1 1 A 37 37 PHE HA H 37 4.164 3.979 0.185 1
1 353 . 5 1 1 A 37 37 PHE C C 37 178.400 178.168 0.232 1
1 354 . 5 1 1 A 37 37 PHE CA C 37 61.915 61.340 0.575 1
1 355 . 5 1 1 A 37 37 PHE CB C 37 38.320 38.207 0.113 1
1 361 . 5 1 1 A 37 37 PHE N N 37 118.258 119.108 -0.850 1
1 362 . 5 1 1 A 38 38 GLU H H 38 7.806 8.472 -0.666 1
1 363 . 5 1 1 A 38 38 GLU HA H 38 4.027 3.845 0.182 1
1 368 . 5 1 1 A 38 38 GLU C C 38 178.764 179.214 -0.450 1
1 369 . 5 1 1 A 38 38 GLU CA C 38 59.325 60.026 -0.701 1
1 370 . 5 1 1 A 38 38 GLU CB C 38 29.083 29.343 -0.260 1
1 372 . 5 1 1 A 38 38 GLU N N 38 118.433 119.035 -0.602 1
1 373 . 5 1 1 A 39 39 GLN H H 39 7.845 8.135 -0.290 1
1 374 . 5 1 1 A 39 39 GLN HA H 39 4.149 3.859 0.290 1
1 381 . 5 1 1 A 39 39 GLN C C 39 179.541 178.944 0.597 1
1 382 . 5 1 1 A 39 39 GLN CA C 39 59.184 59.187 -0.003 1
1 383 . 5 1 1 A 39 39 GLN CB C 39 28.097 28.084 0.013 1
1 385 . 5 1 1 A 39 39 GLN N N 39 119.859 118.756 1.103 1
1 387 . 5 1 1 A 40 40 LEU H H 40 8.130 7.477 0.653 1
1 388 . 5 1 1 A 40 40 LEU HA H 40 3.938 3.966 -0.028 1
1 398 . 5 1 1 A 40 40 LEU C C 40 178.158 178.981 -0.823 1
1 399 . 5 1 1 A 40 40 LEU CA C 40 58.092 57.630 0.462 1
1 400 . 5 1 1 A 40 40 LEU CB C 40 43.194 41.329 1.865 1
1 404 . 5 1 1 A 40 40 LEU N N 40 120.785 119.821 0.964 1
1 405 . 5 1 1 A 41 41 SER H H 41 8.241 8.340 -0.099 1
1 406 . 5 1 1 A 41 41 SER HA H 41 4.251 4.309 -0.058 1
1 409 . 5 1 1 A 41 41 SER C C 41 177.891 177.112 0.779 1
1 410 . 5 1 1 A 41 41 SER CA C 41 61.194 61.498 -0.304 1
1 411 . 5 1 1 A 41 41 SER CB C 41 63.501 62.461 1.040 1
1 412 . 5 1 1 A 41 41 SER N N 41 114.804 113.522 1.282 1
1 413 . 5 1 1 A 42 42 ASN H H 42 7.969 7.835 0.134 1
1 414 . 5 1 1 A 42 42 ASN HA H 42 4.515 4.630 -0.115 1
1 419 . 5 1 1 A 42 42 ASN C C 42 177.381 177.834 -0.453 1
1 420 . 5 1 1 A 42 42 ASN CA C 42 55.871 56.159 -0.288 1
1 421 . 5 1 1 A 42 42 ASN CB C 42 38.920 38.728 0.192 1
1 422 . 5 1 1 A 42 42 ASN N N 42 118.051 120.869 -2.818 1
1 424 . 5 1 1 A 43 43 LEU H H 43 8.169 7.644 0.525 1
1 425 . 5 1 1 A 43 43 LEU HA H 43 4.189 4.099 0.090 1
1 435 . 5 1 1 A 43 43 LEU C C 43 178.837 178.700 0.137 1
1 436 . 5 1 1 A 43 43 LEU CA C 43 57.845 58.160 -0.315 1
1 437 . 5 1 1 A 43 43 LEU CB C 43 43.382 42.091 1.291 1
1 441 . 5 1 1 A 43 43 LEU N N 43 120.419 121.406 -0.987 1
1 442 . 5 1 1 A 44 44 LEU H H 44 8.185 8.041 0.144 1
1 443 . 5 1 1 A 44 44 LEU HA H 44 4.445 4.160 0.285 1
1 453 . 5 1 1 A 44 44 LEU C C 44 176.677 176.025 0.652 1
1 454 . 5 1 1 A 44 44 LEU CA C 44 54.397 55.047 -0.650 1
1 455 . 5 1 1 A 44 44 LEU CB C 44 43.111 42.069 1.042 1
1 459 . 5 1 1 A 44 44 LEU N N 44 113.030 118.351 -5.321 1
1 460 . 5 1 1 A 45 45 ASN H H 45 8.100 8.017 0.083 1
1 461 . 5 1 1 A 45 45 ASN HA H 45 4.440 4.556 -0.116 1
1 466 . 5 1 1 A 45 45 ASN C C 45 174.395 173.795 0.600 1
1 467 . 5 1 1 A 45 45 ASN CA C 45 54.073 54.456 -0.383 1
1 468 . 5 1 1 A 45 45 ASN CB C 45 36.970 36.940 0.030 1
1 469 . 5 1 1 A 45 45 ASN N N 45 117.438 115.443 1.995 1
1 471 . 5 1 1 A 46 46 LEU H H 46 7.476 7.766 -0.290 1
1 472 . 5 1 1 A 46 46 LEU HA H 46 4.980 4.787 0.193 1
1 482 . 5 1 1 A 46 46 LEU C C 46 173.691 174.671 -0.980 1
1 483 . 5 1 1 A 46 46 LEU CA C 46 51.032 51.780 -0.748 1
1 484 . 5 1 1 A 46 46 LEU CB C 46 46.668 43.218 3.450 1
1 488 . 5 1 1 A 46 46 LEU N N 46 117.604 119.932 -2.328 1
1 489 . 5 1 1 A 47 47 PRO HA H 47 4.515 4.680 -0.165 1
1 496 . 5 1 1 A 47 47 PRO C C 47 177.915 177.639 0.276 1
1 497 . 5 1 1 A 47 47 PRO CA C 47 62.392 62.869 -0.477 1
1 498 . 5 1 1 A 47 47 PRO CB C 47 32.592 31.838 0.754 1
1 501 . 5 1 1 A 48 48 THR H H 48 8.818 8.675 0.143 1
1 502 . 5 1 1 A 48 48 THR HA H 48 3.590 3.993 -0.403 1
1 507 . 5 1 1 A 48 48 THR C C 48 176.628 175.911 0.717 1
1 508 . 5 1 1 A 48 48 THR CA C 48 67.384 65.555 1.829 1
1 509 . 5 1 1 A 48 48 THR CB C 48 67.996 68.464 -0.468 1
1 511 . 5 1 1 A 48 48 THR N N 48 120.240 118.647 1.593 1
1 512 . 5 1 1 A 49 49 ARG H H 49 8.750 8.242 0.508 1
1 513 . 5 1 1 A 49 49 ARG HA H 49 3.899 4.064 -0.165 1
1 520 . 5 1 1 A 49 49 ARG C C 49 178.012 178.350 -0.338 1
1 521 . 5 1 1 A 49 49 ARG CA C 49 59.079 58.618 0.461 1
1 522 . 5 1 1 A 49 49 ARG CB C 49 29.474 30.142 -0.668 1
1 525 . 5 1 1 A 49 49 ARG N N 49 117.541 120.951 -3.410 1
1 526 . 5 1 1 A 50 50 VAL H H 50 6.994 8.117 -1.123 1
1 527 . 5 1 1 A 50 50 VAL HA H 50 3.885 3.772 0.113 1
1 535 . 5 1 1 A 50 50 VAL C C 50 178.400 178.498 -0.098 1
1 536 . 5 1 1 A 50 50 VAL CA C 50 65.099 66.128 -1.029 1
1 537 . 5 1 1 A 50 50 VAL CB C 50 31.909 31.762 0.147 1
1 540 . 5 1 1 A 50 50 VAL N N 50 115.765 120.300 -4.535 1
1 541 . 5 1 1 A 51 51 ILE H H 51 7.358 8.046 -0.688 1
1 542 . 5 1 1 A 51 51 ILE HA H 51 3.814 3.851 -0.037 1
1 552 . 5 1 1 A 51 51 ILE C C 51 177.648 179.008 -1.360 1
1 553 . 5 1 1 A 51 51 ILE CA C 51 65.318 64.211 1.107 1
1 554 . 5 1 1 A 51 51 ILE CB C 51 38.017 36.283 1.734 1
1 558 . 5 1 1 A 51 51 ILE N N 51 122.170 120.082 2.088 1
1 559 . 5 1 1 A 52 52 VAL H H 52 8.401 8.547 -0.146 1
1 560 . 5 1 1 A 52 52 VAL HA H 52 3.290 3.687 -0.397 1
1 568 . 5 1 1 A 52 52 VAL C C 52 179.177 178.082 1.095 1
1 569 . 5 1 1 A 52 52 VAL CA C 52 67.021 66.859 0.162 1
1 570 . 5 1 1 A 52 52 VAL CB C 52 31.583 31.615 -0.032 1
1 573 . 5 1 1 A 52 52 VAL N N 52 121.321 121.817 -0.496 1
1 574 . 5 1 1 A 53 53 VAL H H 53 7.691 7.690 0.001 1
1 575 . 5 1 1 A 53 53 VAL HA H 53 3.711 3.787 -0.076 1
1 583 . 5 1 1 A 53 53 VAL C C 53 177.648 178.320 -0.672 1
1 584 . 5 1 1 A 53 53 VAL CA C 53 66.531 66.292 0.239 1
1 585 . 5 1 1 A 53 53 VAL CB C 53 31.936 31.623 0.313 1
1 588 . 5 1 1 A 53 53 VAL N N 53 119.305 119.129 0.176 1
1 589 . 5 1 1 A 54 54 TRP H H 54 8.127 7.891 0.236 1
1 590 . 5 1 1 A 54 54 TRP HA H 54 4.016 4.358 -0.342 1
1 599 . 5 1 1 A 54 54 TRP C C 54 180.100 178.336 1.764 1
1 600 . 5 1 1 A 54 54 TRP CA C 54 63.534 61.459 2.075 1
1 601 . 5 1 1 A 54 54 TRP CB C 54 28.747 29.616 -0.869 1
1 607 . 5 1 1 A 54 54 TRP N N 54 122.197 121.682 0.515 1
1 609 . 5 1 1 A 55 55 PHE H H 55 8.964 8.706 0.258 1
1 610 . 5 1 1 A 55 55 PHE HA H 55 3.843 4.405 -0.562 1
1 618 . 5 1 1 A 55 55 PHE C C 55 178.158 178.397 -0.239 1
1 619 . 5 1 1 A 55 55 PHE CA C 55 63.309 62.733 0.576 1
1 620 . 5 1 1 A 55 55 PHE CB C 55 39.818 39.097 0.721 1
1 626 . 5 1 1 A 55 55 PHE N N 55 119.663 118.503 1.160 1
1 627 . 5 1 1 A 56 56 GLN H H 56 8.412 8.767 -0.355 1
1 628 . 5 1 1 A 56 56 GLN HA H 56 3.984 3.905 0.079 1
1 635 . 5 1 1 A 56 56 GLN C C 56 179.420 179.068 0.352 1
1 636 . 5 1 1 A 56 56 GLN CA C 56 59.678 59.172 0.506 1
1 637 . 5 1 1 A 56 56 GLN CB C 56 27.981 28.311 -0.330 1
1 639 . 5 1 1 A 56 56 GLN N N 56 118.932 117.699 1.233 1
1 641 . 5 1 1 A 57 57 ASN H H 57 8.358 7.940 0.418 1
1 642 . 5 1 1 A 57 57 ASN HA H 57 4.302 4.465 -0.163 1
1 647 . 5 1 1 A 57 57 ASN C C 57 177.308 177.552 -0.244 1
1 648 . 5 1 1 A 57 57 ASN CA C 57 55.836 56.136 -0.300 1
1 649 . 5 1 1 A 57 57 ASN CB C 57 38.123 38.481 -0.358 1
1 650 . 5 1 1 A 57 57 ASN N N 57 118.552 118.452 0.100 1
1 652 . 5 1 1 A 58 58 ALA H H 58 8.097 7.814 0.283 1
1 653 . 5 1 1 A 58 58 ALA HA H 58 3.280 3.493 -0.213 1
1 657 . 5 1 1 A 58 58 ALA C C 58 180.512 179.983 0.529 1
1 658 . 5 1 1 A 58 58 ALA CA C 58 54.711 54.633 0.078 1
1 659 . 5 1 1 A 58 58 ALA CB C 58 16.685 17.434 -0.749 1
1 660 . 5 1 1 A 58 58 ALA N N 58 125.426 121.784 3.642 1
1 661 . 5 1 1 A 59 59 ARG H H 59 8.104 7.638 0.466 1
1 662 . 5 1 1 A 59 59 ARG HA H 59 4.159 4.279 -0.120 1
1 669 . 5 1 1 A 59 59 ARG C C 59 178.570 179.018 -0.448 1
1 670 . 5 1 1 A 59 59 ARG CA C 59 59.916 59.636 0.280 1
1 671 . 5 1 1 A 59 59 ARG CB C 59 31.344 29.989 1.355 1
1 674 . 5 1 1 A 59 59 ARG N N 59 117.308 117.343 -0.035 1
1 675 . 5 1 1 A 60 60 GLN H H 60 7.532 7.849 -0.317 1
1 676 . 5 1 1 A 60 60 GLN HA H 60 4.118 4.098 0.020 1
1 683 . 5 1 1 A 60 60 GLN C C 60 178.036 178.895 -0.859 1
1 684 . 5 1 1 A 60 60 GLN CA C 60 58.021 58.750 -0.729 1
1 685 . 5 1 1 A 60 60 GLN CB C 60 28.460 28.176 0.284 1
1 687 . 5 1 1 A 60 60 GLN N N 60 118.195 118.705 -0.510 1
1 689 . 5 1 1 A 61 61 LYS H H 61 7.738 7.846 -0.108 1
1 690 . 5 1 1 A 61 61 LYS HA H 61 4.038 3.988 0.050 1
1 699 . 5 1 1 A 61 61 LYS C C 61 177.454 179.037 -1.583 1
1 700 . 5 1 1 A 61 61 LYS CA C 61 57.938 59.241 -1.303 1
1 701 . 5 1 1 A 61 61 LYS CB C 61 32.497 32.097 0.400 1
1 705 . 5 1 1 A 61 61 LYS N N 61 119.476 119.594 -0.118 1
1 706 . 5 1 1 A 62 62 ALA H H 62 7.699 7.633 0.066 1
1 707 . 5 1 1 A 62 62 ALA HA H 62 4.265 4.114 0.151 1
1 711 . 5 1 1 A 62 62 ALA C C 62 177.818 178.596 -0.778 1
1 712 . 5 1 1 A 62 62 ALA CA C 62 52.945 54.915 -1.970 1
1 713 . 5 1 1 A 62 62 ALA CB C 62 18.904 18.530 0.374 1
1 714 . 5 1 1 A 62 62 ALA N N 62 121.322 120.770 0.552 1
1 715 . 5 1 1 A 63 63 ARG H H 63 7.831 7.320 0.511 1
1 716 . 5 1 1 A 63 63 ARG HA H 63 4.237 4.325 -0.088 1
1 722 . 5 1 1 A 63 63 ARG C C 63 176.580 176.170 0.410 1
1 723 . 5 1 1 A 63 63 ARG CA C 63 56.717 55.826 0.891 1
1 724 . 5 1 1 A 63 63 ARG CB C 63 30.124 30.896 -0.772 1
1 727 . 5 1 1 A 63 63 ARG N N 63 118.592 117.385 1.207 1
1 728 . 5 1 1 A 64 64 LYS H H 64 8.213 8.517 -0.304 1
1 729 . 5 1 1 A 64 64 LYS HA H 64 4.365 4.172 0.193 1
1 738 . 5 1 1 A 64 64 LYS C C 64 176.677 177.588 -0.911 1
1 739 . 5 1 1 A 64 64 LYS CA C 64 56.329 56.637 -0.308 1
1 740 . 5 1 1 A 64 64 LYS CB C 64 32.906 32.819 0.087 1
1 744 . 5 1 1 A 64 64 LYS N N 64 121.456 125.705 -4.249 1
1 745 . 5 1 1 A 65 65 SER H H 65 8.289 8.715 -0.426 1
1 746 . 5 1 1 A 65 65 SER HA H 65 4.510 4.655 -0.145 1
1 749 . 5 1 1 A 65 65 SER C C 65 174.492 174.569 -0.077 1
1 750 . 5 1 1 A 65 65 SER CA C 65 58.303 57.639 0.664 1
1 751 . 5 1 1 A 65 65 SER CB C 65 64.052 62.716 1.336 1
1 752 . 5 1 1 A 65 65 SER N N 65 116.719 113.989 2.730 1
1 753 . 5 1 1 A 66 66 GLY H H 66 8.242 8.519 -0.277 1
1 754 . 5 1 1 A 66 66 GLY HA2 H 66 4.120 3.955 0.165 1
1 755 . 5 1 1 A 66 66 GLY HA3 H 66 4.148 3.956 0.192 1
1 756 . 5 1 1 A 66 66 GLY C C 66 171.798 174.341 -2.543 1
1 757 . 5 1 1 A 66 66 GLY CA C 66 44.687 44.890 -0.203 1
1 758 . 5 1 1 A 66 66 GLY N N 66 110.632 112.270 -1.638 1
1 759 . 5 1 1 A 67 67 PRO HA H 67 4.458 4.507 -0.049 1
1 766 . 5 1 1 A 67 67 PRO C C 67 177.429 176.003 1.426 1
1 767 . 5 1 1 A 67 67 PRO CA C 67 63.309 64.076 -0.767 1
1 768 . 5 1 1 A 67 67 PRO CB C 67 32.200 31.513 0.687 1
1 771 . 5 1 1 A 68 68 SER H H 68 8.535 7.818 0.717 1
1 772 . 5 1 1 A 68 68 SER HA H 68 4.482 4.690 -0.208 1
1 775 . 5 1 1 A 68 68 SER C C 68 174.638 174.434 0.204 1
1 776 . 5 1 1 A 68 68 SER CA C 68 58.444 56.756 1.688 1
1 777 . 5 1 1 A 68 68 SER CB C 68 63.838 63.670 0.168 1
1 778 . 5 1 1 A 68 68 SER N N 68 116.359 114.917 1.442 1
1 779 . 5 1 1 A 69 69 SER H H 69 8.300 8.661 -0.361 1
1 780 . 5 1 1 A 69 69 SER HA H 69 4.477 4.187 0.290 1
1 783 . 5 1 1 A 69 69 SER C C 69 173.934 177.167 -3.233 1
1 784 . 5 1 1 A 69 69 SER CA C 69 58.374 61.736 -3.362 1
1 785 . 5 1 1 A 69 69 SER CB C 69 64.134 62.845 1.289 1
1 786 . 5 1 1 A 69 69 SER N N 69 117.715 123.399 -5.684 1
1 1 . 6 1 1 A 10 10 SER HA H 10 4.461 4.453 0.008 1
1 4 . 6 1 1 A 10 10 SER C C 10 174.492 174.271 0.221 1
1 5 . 6 1 1 A 10 10 SER CA C 10 58.479 57.737 0.742 1
1 6 . 6 1 1 A 10 10 SER CB C 10 63.932 62.629 1.303 1
1 7 . 6 1 1 A 11 11 ARG H H 11 8.318 8.520 -0.202 1
1 8 . 6 1 1 A 11 11 ARG HA H 11 4.391 4.297 0.094 1
1 15 . 6 1 1 A 11 11 ARG C C 11 176.264 175.813 0.451 1
1 16 . 6 1 1 A 11 11 ARG CA C 11 56.118 57.914 -1.796 1
1 17 . 6 1 1 A 11 11 ARG CB C 11 30.849 31.282 -0.433 1
1 20 . 6 1 1 A 11 11 ARG N N 11 122.795 128.225 -5.430 1
1 21 . 6 1 1 A 12 12 THR H H 12 8.159 8.066 0.093 1
1 22 . 6 1 1 A 12 12 THR HA H 12 4.150 4.533 -0.383 1
1 27 . 6 1 1 A 12 12 THR C C 12 173.740 173.662 0.078 1
1 28 . 6 1 1 A 12 12 THR CA C 12 62.463 61.803 0.660 1
1 29 . 6 1 1 A 12 12 THR CB C 12 69.770 69.257 0.513 1
1 31 . 6 1 1 A 12 12 THR N N 12 117.261 113.062 4.199 1
1 32 . 6 1 1 A 13 13 ARG H H 13 8.319 8.580 -0.261 1
1 33 . 6 1 1 A 13 13 ARG HA H 13 4.332 4.680 -0.348 1
1 40 . 6 1 1 A 13 13 ARG C C 13 175.560 175.474 0.086 1
1 41 . 6 1 1 A 13 13 ARG CA C 13 55.518 55.282 0.236 1
1 42 . 6 1 1 A 13 13 ARG CB C 13 30.763 31.604 -0.841 1
1 45 . 6 1 1 A 13 13 ARG N N 13 125.163 126.127 -0.964 1
1 46 . 6 1 1 A 14 14 PHE H H 14 8.195 9.084 -0.889 1
1 47 . 6 1 1 A 14 14 PHE HA H 14 4.952 5.145 -0.193 1
1 55 . 6 1 1 A 14 14 PHE C C 14 176.993 174.247 2.746 1
1 56 . 6 1 1 A 14 14 PHE CA C 14 56.859 56.839 0.020 1
1 57 . 6 1 1 A 14 14 PHE CB C 14 41.107 42.038 -0.931 1
1 63 . 6 1 1 A 14 14 PHE N N 14 121.558 120.515 1.043 1
1 64 . 6 1 1 A 15 15 THR H H 15 8.999 8.535 0.464 1
1 65 . 6 1 1 A 15 15 THR HA H 15 4.491 4.881 -0.390 1
1 70 . 6 1 1 A 15 15 THR C C 15 174.856 175.259 -0.403 1
1 71 . 6 1 1 A 15 15 THR CA C 15 60.559 59.633 0.926 1
1 72 . 6 1 1 A 15 15 THR CB C 15 70.890 70.928 -0.038 1
1 74 . 6 1 1 A 15 15 THR N N 15 113.369 114.435 -1.066 1
1 75 . 6 1 1 A 16 16 ASP H H 16 8.906 9.223 -0.317 1
1 76 . 6 1 1 A 16 16 ASP HA H 16 4.333 4.267 0.066 1
1 79 . 6 1 1 A 16 16 ASP C C 16 178.764 177.909 0.855 1
1 80 . 6 1 1 A 16 16 ASP CA C 16 57.911 58.218 -0.307 1
1 81 . 6 1 1 A 16 16 ASP CB C 16 39.994 40.406 -0.412 1
1 82 . 6 1 1 A 16 16 ASP N N 16 120.884 127.362 -6.478 1
1 83 . 6 1 1 A 17 17 TYR H H 17 8.356 8.221 0.135 1
1 84 . 6 1 1 A 17 17 TYR HA H 17 4.211 4.099 0.112 1
1 91 . 6 1 1 A 17 17 TYR C C 17 176.264 178.025 -1.761 1
1 92 . 6 1 1 A 17 17 TYR CA C 17 61.045 61.754 -0.709 1
1 93 . 6 1 1 A 17 17 TYR CB C 17 38.666 38.735 -0.069 1
1 98 . 6 1 1 A 17 17 TYR N N 17 119.909 122.081 -2.172 1
1 99 . 6 1 1 A 18 18 GLN H H 18 7.582 8.338 -0.756 1
1 100 . 6 1 1 A 18 18 GLN HA H 18 3.482 3.646 -0.164 1
1 107 . 6 1 1 A 18 18 GLN C C 18 177.502 178.391 -0.889 1
1 108 . 6 1 1 A 18 18 GLN CA C 18 58.726 58.568 0.158 1
1 109 . 6 1 1 A 18 18 GLN CB C 18 27.717 28.310 -0.593 1
1 111 . 6 1 1 A 18 18 GLN N N 18 116.647 118.881 -2.234 1
1 113 . 6 1 1 A 19 19 LEU H H 19 8.170 8.730 -0.560 1
1 114 . 6 1 1 A 19 19 LEU HA H 19 3.508 3.653 -0.145 1
1 124 . 6 1 1 A 19 19 LEU C C 19 178.546 179.077 -0.531 1
1 125 . 6 1 1 A 19 19 LEU CA C 19 57.625 57.775 -0.150 1
1 126 . 6 1 1 A 19 19 LEU CB C 19 41.812 41.225 0.587 1
1 130 . 6 1 1 A 19 19 LEU N N 19 115.406 119.646 -4.240 1
1 131 . 6 1 1 A 20 20 ARG H H 20 7.792 8.257 -0.465 1
1 132 . 6 1 1 A 20 20 ARG HA H 20 3.917 3.939 -0.022 1
1 138 . 6 1 1 A 20 20 ARG C C 20 178.036 178.794 -0.758 1
1 139 . 6 1 1 A 20 20 ARG CA C 20 59.026 59.133 -0.107 1
1 140 . 6 1 1 A 20 20 ARG CB C 20 29.861 29.955 -0.094 1
1 143 . 6 1 1 A 20 20 ARG N N 20 120.360 120.618 -0.258 1
1 144 . 6 1 1 A 21 21 VAL H H 21 7.601 7.280 0.321 1
1 145 . 6 1 1 A 21 21 VAL HA H 21 3.533 3.592 -0.059 1
1 153 . 6 1 1 A 21 21 VAL C C 21 179.541 178.300 1.241 1
1 154 . 6 1 1 A 21 21 VAL CA C 21 66.327 66.218 0.109 1
1 155 . 6 1 1 A 21 21 VAL CB C 21 31.509 31.459 0.050 1
1 158 . 6 1 1 A 21 21 VAL N N 21 119.151 119.068 0.083 1
1 159 . 6 1 1 A 22 22 LEU H H 22 7.898 8.255 -0.357 1
1 160 . 6 1 1 A 22 22 LEU HA H 22 3.513 3.842 -0.329 1
1 170 . 6 1 1 A 22 22 LEU C C 22 177.527 178.945 -1.418 1
1 171 . 6 1 1 A 22 22 LEU CA C 22 58.181 57.899 0.282 1
1 172 . 6 1 1 A 22 22 LEU CB C 22 38.573 40.319 -1.746 1
1 176 . 6 1 1 A 22 22 LEU N N 22 119.825 119.766 0.059 1
1 177 . 6 1 1 A 23 23 GLN H H 23 8.171 8.353 -0.182 1
1 178 . 6 1 1 A 23 23 GLN HA H 23 3.925 3.989 -0.064 1
1 185 . 6 1 1 A 23 23 GLN C C 23 178.061 177.628 0.433 1
1 186 . 6 1 1 A 23 23 GLN CA C 23 58.832 58.941 -0.109 1
1 187 . 6 1 1 A 23 23 GLN CB C 23 28.769 28.547 0.222 1
1 189 . 6 1 1 A 23 23 GLN N N 23 118.186 118.617 -0.431 1
1 191 . 6 1 1 A 24 24 ASP H H 24 8.446 8.205 0.241 1
1 192 . 6 1 1 A 24 24 ASP HA H 24 4.373 4.425 -0.052 1
1 195 . 6 1 1 A 24 24 ASP C C 24 179.347 178.595 0.752 1
1 196 . 6 1 1 A 24 24 ASP CA C 24 57.294 57.241 0.053 1
1 197 . 6 1 1 A 24 24 ASP CB C 24 40.035 41.200 -1.165 1
1 198 . 6 1 1 A 24 24 ASP N N 24 118.634 119.604 -0.970 1
1 199 . 6 1 1 A 25 25 PHE H H 25 8.224 8.259 -0.035 1
1 200 . 6 1 1 A 25 25 PHE HA H 25 4.062 4.279 -0.217 1
1 208 . 6 1 1 A 25 25 PHE C C 25 177.891 177.608 0.283 1
1 209 . 6 1 1 A 25 25 PHE CA C 25 61.546 60.858 0.688 1
1 210 . 6 1 1 A 25 25 PHE CB C 25 39.246 39.252 -0.006 1
1 216 . 6 1 1 A 25 25 PHE N N 25 121.633 120.103 1.530 1
1 217 . 6 1 1 A 26 26 PHE H H 26 9.167 8.153 1.014 1
1 218 . 6 1 1 A 26 26 PHE HA H 26 4.302 4.610 -0.308 1
1 226 . 6 1 1 A 26 26 PHE C C 26 176.531 177.117 -0.586 1
1 227 . 6 1 1 A 26 26 PHE CA C 26 61.476 61.332 0.144 1
1 228 . 6 1 1 A 26 26 PHE CB C 26 39.471 38.846 0.625 1
1 234 . 6 1 1 A 26 26 PHE N N 26 121.265 120.021 1.244 1
1 235 . 6 1 1 A 27 27 ASP H H 27 8.654 8.506 0.148 1
1 236 . 6 1 1 A 27 27 ASP HA H 27 4.238 4.517 -0.279 1
1 239 . 6 1 1 A 27 27 ASP C C 27 177.429 177.440 -0.011 1
1 240 . 6 1 1 A 27 27 ASP CA C 27 56.717 57.597 -0.880 1
1 241 . 6 1 1 A 27 27 ASP CB C 27 40.406 41.708 -1.302 1
1 242 . 6 1 1 A 27 27 ASP N N 27 116.555 119.501 -2.946 1
1 243 . 6 1 1 A 28 28 ALA H H 28 7.262 7.682 -0.420 1
1 244 . 6 1 1 A 28 28 ALA HA H 28 4.316 4.317 -0.001 1
1 248 . 6 1 1 A 28 28 ALA C C 28 177.891 177.517 0.374 1
1 249 . 6 1 1 A 28 28 ALA CA C 28 52.839 53.534 -0.695 1
1 250 . 6 1 1 A 28 28 ALA CB C 28 19.698 19.962 -0.264 1
1 251 . 6 1 1 A 28 28 ALA N N 28 120.441 119.108 1.333 1
1 252 . 6 1 1 A 29 29 ASN H H 29 8.346 8.367 -0.021 1
1 253 . 6 1 1 A 29 29 ASN HA H 29 4.432 5.040 -0.608 1
1 258 . 6 1 1 A 29 29 ASN C C 29 172.259 174.489 -2.230 1
1 259 . 6 1 1 A 29 29 ASN CA C 29 52.943 52.379 0.564 1
1 260 . 6 1 1 A 29 29 ASN CB C 29 38.435 41.238 -2.803 1
1 261 . 6 1 1 A 29 29 ASN N N 29 118.701 114.873 3.828 1
1 263 . 6 1 1 A 30 30 ALA H H 30 8.177 8.606 -0.429 1
1 264 . 6 1 1 A 30 30 ALA HA H 30 4.010 4.649 -0.639 1
1 268 . 6 1 1 A 30 30 ALA C C 30 176.798 176.710 0.088 1
1 269 . 6 1 1 A 30 30 ALA CA C 30 52.980 50.929 2.051 1
1 270 . 6 1 1 A 30 30 ALA CB C 30 19.233 19.458 -0.225 1
1 271 . 6 1 1 A 30 30 ALA N N 30 124.112 128.327 -4.215 1
1 272 . 6 1 1 A 31 31 TYR H H 31 7.984 7.827 0.157 1
1 273 . 6 1 1 A 31 31 TYR HA H 31 4.672 5.153 -0.481 1
1 280 . 6 1 1 A 31 31 TYR C C 31 172.283 173.153 -0.870 1
1 281 . 6 1 1 A 31 31 TYR CA C 31 55.483 55.620 -0.137 1
1 282 . 6 1 1 A 31 31 TYR CB C 31 39.058 38.327 0.731 1
1 287 . 6 1 1 A 31 31 TYR N N 31 115.568 117.725 -2.157 1
1 288 . 6 1 1 A 32 32 PRO HA H 32 4.249 4.705 -0.456 1
1 295 . 6 1 1 A 32 32 PRO C C 32 176.871 176.664 0.207 1
1 296 . 6 1 1 A 32 32 PRO CA C 32 62.710 62.906 -0.196 1
1 297 . 6 1 1 A 32 32 PRO CB C 32 29.959 32.600 -2.641 1
1 300 . 6 1 1 A 33 33 LYS H H 33 9.168 8.733 0.435 1
1 301 . 6 1 1 A 33 33 LYS HA H 33 4.426 4.806 -0.380 1
1 310 . 6 1 1 A 33 33 LYS C C 33 178.061 177.993 0.068 1
1 311 . 6 1 1 A 33 33 LYS CA C 33 55.236 55.031 0.205 1
1 312 . 6 1 1 A 33 33 LYS CB C 33 33.980 34.087 -0.107 1
1 316 . 6 1 1 A 33 33 LYS N N 33 121.451 121.422 0.029 1
1 317 . 6 1 1 A 34 34 ASP H H 34 9.017 9.005 0.012 1
1 318 . 6 1 1 A 34 34 ASP HA H 34 4.566 4.210 0.356 1
1 321 . 6 1 1 A 34 34 ASP C C 34 179.007 177.823 1.184 1
1 322 . 6 1 1 A 34 34 ASP CA C 34 58.973 58.268 0.705 1
1 323 . 6 1 1 A 34 34 ASP CB C 34 39.834 41.096 -1.262 1
1 324 . 6 1 1 A 34 34 ASP N N 34 122.268 123.724 -1.456 1
1 325 . 6 1 1 A 35 35 ASP H H 35 8.955 8.332 0.623 1
1 326 . 6 1 1 A 35 35 ASP HA H 35 4.408 4.323 0.085 1
1 329 . 6 1 1 A 35 35 ASP C C 35 178.837 178.668 0.169 1
1 330 . 6 1 1 A 35 35 ASP CA C 35 56.611 58.038 -1.427 1
1 331 . 6 1 1 A 35 35 ASP CB C 35 39.609 41.967 -2.358 1
1 332 . 6 1 1 A 35 35 ASP N N 35 116.861 119.011 -2.150 1
1 333 . 6 1 1 A 36 36 GLU H H 36 7.208 7.891 -0.683 1
1 334 . 6 1 1 A 36 36 GLU HA H 36 4.051 4.034 0.017 1
1 339 . 6 1 1 A 36 36 GLU C C 36 179.226 178.981 0.245 1
1 340 . 6 1 1 A 36 36 GLU CA C 36 58.761 59.151 -0.390 1
1 341 . 6 1 1 A 36 36 GLU CB C 36 29.689 29.400 0.289 1
1 343 . 6 1 1 A 36 36 GLU N N 36 121.585 118.682 2.903 1
1 344 . 6 1 1 A 37 37 PHE H H 37 7.997 8.549 -0.552 1
1 345 . 6 1 1 A 37 37 PHE HA H 37 4.164 3.964 0.200 1
1 353 . 6 1 1 A 37 37 PHE C C 37 178.400 178.149 0.251 1
1 354 . 6 1 1 A 37 37 PHE CA C 37 61.915 61.293 0.622 1
1 355 . 6 1 1 A 37 37 PHE CB C 37 38.320 38.183 0.137 1
1 361 . 6 1 1 A 37 37 PHE N N 37 118.258 119.080 -0.822 1
1 362 . 6 1 1 A 38 38 GLU H H 38 7.806 8.269 -0.463 1
1 363 . 6 1 1 A 38 38 GLU HA H 38 4.027 4.001 0.026 1
1 368 . 6 1 1 A 38 38 GLU C C 38 178.764 179.196 -0.432 1
1 369 . 6 1 1 A 38 38 GLU CA C 38 59.325 60.052 -0.727 1
1 370 . 6 1 1 A 38 38 GLU CB C 38 29.083 29.343 -0.260 1
1 372 . 6 1 1 A 38 38 GLU N N 38 118.433 119.075 -0.642 1
1 373 . 6 1 1 A 39 39 GLN H H 39 7.845 8.176 -0.331 1
1 374 . 6 1 1 A 39 39 GLN HA H 39 4.149 3.817 0.332 1
1 381 . 6 1 1 A 39 39 GLN C C 39 179.541 178.918 0.623 1
1 382 . 6 1 1 A 39 39 GLN CA C 39 59.184 59.221 -0.037 1
1 383 . 6 1 1 A 39 39 GLN CB C 39 28.097 28.197 -0.100 1
1 385 . 6 1 1 A 39 39 GLN N N 39 119.859 118.872 0.987 1
1 387 . 6 1 1 A 40 40 LEU H H 40 8.130 7.489 0.641 1
1 388 . 6 1 1 A 40 40 LEU HA H 40 3.938 4.058 -0.120 1
1 398 . 6 1 1 A 40 40 LEU C C 40 178.158 179.265 -1.107 1
1 399 . 6 1 1 A 40 40 LEU CA C 40 58.092 57.578 0.514 1
1 400 . 6 1 1 A 40 40 LEU CB C 40 43.194 41.159 2.035 1
1 404 . 6 1 1 A 40 40 LEU N N 40 120.785 119.632 1.153 1
1 405 . 6 1 1 A 41 41 SER H H 41 8.241 8.499 -0.258 1
1 406 . 6 1 1 A 41 41 SER HA H 41 4.251 4.166 0.085 1
1 409 . 6 1 1 A 41 41 SER C C 41 177.891 177.138 0.753 1
1 410 . 6 1 1 A 41 41 SER CA C 41 61.194 61.453 -0.259 1
1 411 . 6 1 1 A 41 41 SER CB C 41 63.501 62.420 1.081 1
1 412 . 6 1 1 A 41 41 SER N N 41 114.804 113.880 0.924 1
1 413 . 6 1 1 A 42 42 ASN H H 42 7.969 7.945 0.024 1
1 414 . 6 1 1 A 42 42 ASN HA H 42 4.515 4.612 -0.097 1
1 419 . 6 1 1 A 42 42 ASN C C 42 177.381 177.920 -0.539 1
1 420 . 6 1 1 A 42 42 ASN CA C 42 55.871 56.223 -0.352 1
1 421 . 6 1 1 A 42 42 ASN CB C 42 38.920 38.775 0.145 1
1 422 . 6 1 1 A 42 42 ASN N N 42 118.051 120.962 -2.911 1
1 424 . 6 1 1 A 43 43 LEU H H 43 8.169 7.577 0.592 1
1 425 . 6 1 1 A 43 43 LEU HA H 43 4.189 4.095 0.094 1
1 435 . 6 1 1 A 43 43 LEU C C 43 178.837 178.799 0.038 1
1 436 . 6 1 1 A 43 43 LEU CA C 43 57.845 58.207 -0.362 1
1 437 . 6 1 1 A 43 43 LEU CB C 43 43.382 42.131 1.251 1
1 441 . 6 1 1 A 43 43 LEU N N 43 120.419 121.327 -0.908 1
1 442 . 6 1 1 A 44 44 LEU H H 44 8.185 7.988 0.197 1
1 443 . 6 1 1 A 44 44 LEU HA H 44 4.445 4.140 0.305 1
1 453 . 6 1 1 A 44 44 LEU C C 44 176.677 175.992 0.685 1
1 454 . 6 1 1 A 44 44 LEU CA C 44 54.397 55.098 -0.701 1
1 455 . 6 1 1 A 44 44 LEU CB C 44 43.111 42.096 1.015 1
1 459 . 6 1 1 A 44 44 LEU N N 44 113.030 118.338 -5.308 1
1 460 . 6 1 1 A 45 45 ASN H H 45 8.100 8.011 0.089 1
1 461 . 6 1 1 A 45 45 ASN HA H 45 4.440 4.477 -0.037 1
1 466 . 6 1 1 A 45 45 ASN C C 45 174.395 173.716 0.679 1
1 467 . 6 1 1 A 45 45 ASN CA C 45 54.073 54.499 -0.426 1
1 468 . 6 1 1 A 45 45 ASN CB C 45 36.970 36.724 0.246 1
1 469 . 6 1 1 A 45 45 ASN N N 45 117.438 115.525 1.913 1
1 471 . 6 1 1 A 46 46 LEU H H 46 7.476 7.341 0.135 1
1 472 . 6 1 1 A 46 46 LEU HA H 46 4.980 4.794 0.186 1
1 482 . 6 1 1 A 46 46 LEU C C 46 173.691 174.568 -0.877 1
1 483 . 6 1 1 A 46 46 LEU CA C 46 51.032 51.747 -0.715 1
1 484 . 6 1 1 A 46 46 LEU CB C 46 46.668 43.438 3.230 1
1 488 . 6 1 1 A 46 46 LEU N N 46 117.604 119.157 -1.553 1
1 489 . 6 1 1 A 47 47 PRO HA H 47 4.515 4.682 -0.167 1
1 496 . 6 1 1 A 47 47 PRO C C 47 177.915 177.642 0.273 1
1 497 . 6 1 1 A 47 47 PRO CA C 47 62.392 62.868 -0.476 1
1 498 . 6 1 1 A 47 47 PRO CB C 47 32.592 31.835 0.757 1
1 501 . 6 1 1 A 48 48 THR H H 48 8.818 8.677 0.141 1
1 502 . 6 1 1 A 48 48 THR HA H 48 3.590 4.003 -0.413 1
1 507 . 6 1 1 A 48 48 THR C C 48 176.628 175.902 0.726 1
1 508 . 6 1 1 A 48 48 THR CA C 48 67.384 65.499 1.885 1
1 509 . 6 1 1 A 48 48 THR CB C 48 67.996 68.470 -0.474 1
1 511 . 6 1 1 A 48 48 THR N N 48 120.240 118.636 1.604 1
1 512 . 6 1 1 A 49 49 ARG H H 49 8.750 8.260 0.490 1
1 513 . 6 1 1 A 49 49 ARG HA H 49 3.899 4.057 -0.158 1
1 520 . 6 1 1 A 49 49 ARG C C 49 178.012 178.398 -0.386 1
1 521 . 6 1 1 A 49 49 ARG CA C 49 59.079 58.595 0.484 1
1 522 . 6 1 1 A 49 49 ARG CB C 49 29.474 30.198 -0.724 1
1 525 . 6 1 1 A 49 49 ARG N N 49 117.541 120.972 -3.431 1
1 526 . 6 1 1 A 50 50 VAL H H 50 6.994 8.095 -1.101 1
1 527 . 6 1 1 A 50 50 VAL HA H 50 3.885 3.761 0.124 1
1 535 . 6 1 1 A 50 50 VAL C C 50 178.400 178.271 0.129 1
1 536 . 6 1 1 A 50 50 VAL CA C 50 65.099 66.308 -1.209 1
1 537 . 6 1 1 A 50 50 VAL CB C 50 31.909 31.710 0.199 1
1 540 . 6 1 1 A 50 50 VAL N N 50 115.765 120.357 -4.592 1
1 541 . 6 1 1 A 51 51 ILE H H 51 7.358 8.089 -0.731 1
1 542 . 6 1 1 A 51 51 ILE HA H 51 3.814 3.860 -0.046 1
1 552 . 6 1 1 A 51 51 ILE C C 51 177.648 178.904 -1.256 1
1 553 . 6 1 1 A 51 51 ILE CA C 51 65.318 64.284 1.034 1
1 554 . 6 1 1 A 51 51 ILE CB C 51 38.017 36.629 1.388 1
1 558 . 6 1 1 A 51 51 ILE N N 51 122.170 120.049 2.121 1
1 559 . 6 1 1 A 52 52 VAL H H 52 8.401 8.536 -0.135 1
1 560 . 6 1 1 A 52 52 VAL HA H 52 3.290 3.687 -0.397 1
1 568 . 6 1 1 A 52 52 VAL C C 52 179.177 178.105 1.072 1
1 569 . 6 1 1 A 52 52 VAL CA C 52 67.021 66.891 0.130 1
1 570 . 6 1 1 A 52 52 VAL CB C 52 31.583 31.610 -0.027 1
1 573 . 6 1 1 A 52 52 VAL N N 52 121.321 121.502 -0.181 1
1 574 . 6 1 1 A 53 53 VAL H H 53 7.691 7.693 -0.002 1
1 575 . 6 1 1 A 53 53 VAL HA H 53 3.711 3.740 -0.029 1
1 583 . 6 1 1 A 53 53 VAL C C 53 177.648 178.260 -0.612 1
1 584 . 6 1 1 A 53 53 VAL CA C 53 66.531 66.434 0.097 1
1 585 . 6 1 1 A 53 53 VAL CB C 53 31.936 31.625 0.311 1
1 588 . 6 1 1 A 53 53 VAL N N 53 119.305 119.375 -0.070 1
1 589 . 6 1 1 A 54 54 TRP H H 54 8.127 7.973 0.154 1
1 590 . 6 1 1 A 54 54 TRP HA H 54 4.016 4.282 -0.266 1
1 599 . 6 1 1 A 54 54 TRP C C 54 180.100 178.431 1.669 1
1 600 . 6 1 1 A 54 54 TRP CA C 54 63.534 61.347 2.187 1
1 601 . 6 1 1 A 54 54 TRP CB C 54 28.747 29.483 -0.736 1
1 607 . 6 1 1 A 54 54 TRP N N 54 122.197 121.655 0.542 1
1 609 . 6 1 1 A 55 55 PHE H H 55 8.964 8.704 0.260 1
1 610 . 6 1 1 A 55 55 PHE HA H 55 3.843 4.461 -0.618 1
1 618 . 6 1 1 A 55 55 PHE C C 55 178.158 178.425 -0.267 1
1 619 . 6 1 1 A 55 55 PHE CA C 55 63.309 62.569 0.740 1
1 620 . 6 1 1 A 55 55 PHE CB C 55 39.818 38.907 0.911 1
1 626 . 6 1 1 A 55 55 PHE N N 55 119.663 118.684 0.979 1
1 627 . 6 1 1 A 56 56 GLN H H 56 8.412 8.804 -0.392 1
1 628 . 6 1 1 A 56 56 GLN HA H 56 3.984 3.906 0.078 1
1 635 . 6 1 1 A 56 56 GLN C C 56 179.420 179.029 0.391 1
1 636 . 6 1 1 A 56 56 GLN CA C 56 59.678 59.180 0.498 1
1 637 . 6 1 1 A 56 56 GLN CB C 56 27.981 28.403 -0.422 1
1 639 . 6 1 1 A 56 56 GLN N N 56 118.932 117.720 1.212 1
1 641 . 6 1 1 A 57 57 ASN H H 57 8.358 7.896 0.462 1
1 642 . 6 1 1 A 57 57 ASN HA H 57 4.302 4.786 -0.484 1
1 647 . 6 1 1 A 57 57 ASN C C 57 177.308 177.498 -0.190 1
1 648 . 6 1 1 A 57 57 ASN CA C 57 55.836 56.141 -0.305 1
1 649 . 6 1 1 A 57 57 ASN CB C 57 38.123 38.409 -0.286 1
1 650 . 6 1 1 A 57 57 ASN N N 57 118.552 118.463 0.089 1
1 652 . 6 1 1 A 58 58 ALA H H 58 8.097 7.749 0.348 1
1 653 . 6 1 1 A 58 58 ALA HA H 58 3.280 3.510 -0.230 1
1 657 . 6 1 1 A 58 58 ALA C C 58 180.512 180.024 0.488 1
1 658 . 6 1 1 A 58 58 ALA CA C 58 54.711 54.690 0.021 1
1 659 . 6 1 1 A 58 58 ALA CB C 58 16.685 17.508 -0.823 1
1 660 . 6 1 1 A 58 58 ALA N N 58 125.426 121.896 3.530 1
1 661 . 6 1 1 A 59 59 ARG H H 59 8.104 7.814 0.290 1
1 662 . 6 1 1 A 59 59 ARG HA H 59 4.159 4.284 -0.125 1
1 669 . 6 1 1 A 59 59 ARG C C 59 178.570 179.118 -0.548 1
1 670 . 6 1 1 A 59 59 ARG CA C 59 59.916 59.813 0.103 1
1 671 . 6 1 1 A 59 59 ARG CB C 59 31.344 29.939 1.405 1
1 674 . 6 1 1 A 59 59 ARG N N 59 117.308 117.439 -0.131 1
1 675 . 6 1 1 A 60 60 GLN H H 60 7.532 7.903 -0.371 1
1 676 . 6 1 1 A 60 60 GLN HA H 60 4.118 4.014 0.104 1
1 683 . 6 1 1 A 60 60 GLN C C 60 178.036 178.966 -0.930 1
1 684 . 6 1 1 A 60 60 GLN CA C 60 58.021 58.881 -0.860 1
1 685 . 6 1 1 A 60 60 GLN CB C 60 28.460 28.419 0.041 1
1 687 . 6 1 1 A 60 60 GLN N N 60 118.195 118.461 -0.266 1
1 689 . 6 1 1 A 61 61 LYS H H 61 7.738 7.893 -0.155 1
1 690 . 6 1 1 A 61 61 LYS HA H 61 4.038 3.983 0.055 1
1 699 . 6 1 1 A 61 61 LYS C C 61 177.454 179.062 -1.608 1
1 700 . 6 1 1 A 61 61 LYS CA C 61 57.938 59.294 -1.356 1
1 701 . 6 1 1 A 61 61 LYS CB C 61 32.497 32.128 0.369 1
1 705 . 6 1 1 A 61 61 LYS N N 61 119.476 119.412 0.064 1
1 706 . 6 1 1 A 62 62 ALA H H 62 7.699 7.788 -0.089 1
1 707 . 6 1 1 A 62 62 ALA HA H 62 4.265 4.157 0.108 1
1 711 . 6 1 1 A 62 62 ALA C C 62 177.818 178.337 -0.519 1
1 712 . 6 1 1 A 62 62 ALA CA C 62 52.945 55.170 -2.225 1
1 713 . 6 1 1 A 62 62 ALA CB C 62 18.904 18.250 0.654 1
1 714 . 6 1 1 A 62 62 ALA N N 62 121.322 121.301 0.021 1
1 715 . 6 1 1 A 63 63 ARG H H 63 7.831 7.720 0.111 1
1 716 . 6 1 1 A 63 63 ARG HA H 63 4.237 4.232 0.005 1
1 722 . 6 1 1 A 63 63 ARG C C 63 176.580 176.406 0.174 1
1 723 . 6 1 1 A 63 63 ARG CA C 63 56.717 57.302 -0.585 1
1 724 . 6 1 1 A 63 63 ARG CB C 63 30.124 30.831 -0.707 1
1 727 . 6 1 1 A 63 63 ARG N N 63 118.592 118.109 0.483 1
1 728 . 6 1 1 A 64 64 LYS H H 64 8.213 8.393 -0.180 1
1 729 . 6 1 1 A 64 64 LYS HA H 64 4.365 4.746 -0.381 1
1 738 . 6 1 1 A 64 64 LYS C C 64 176.677 175.711 0.966 1
1 739 . 6 1 1 A 64 64 LYS CA C 64 56.329 55.805 0.524 1
1 740 . 6 1 1 A 64 64 LYS CB C 64 32.906 36.493 -3.587 1
1 744 . 6 1 1 A 64 64 LYS N N 64 121.456 123.440 -1.984 1
1 745 . 6 1 1 A 65 65 SER H H 65 8.289 9.082 -0.793 1
1 746 . 6 1 1 A 65 65 SER HA H 65 4.510 4.534 -0.024 1
1 749 . 6 1 1 A 65 65 SER C C 65 174.492 174.633 -0.141 1
1 750 . 6 1 1 A 65 65 SER CA C 65 58.303 59.993 -1.690 1
1 751 . 6 1 1 A 65 65 SER CB C 65 64.052 64.536 -0.484 1
1 752 . 6 1 1 A 65 65 SER N N 65 116.719 119.211 -2.492 1
1 753 . 6 1 1 A 66 66 GLY H H 66 8.242 7.913 0.329 1
1 754 . 6 1 1 A 66 66 GLY HA2 H 66 4.120 4.086 0.034 1
1 755 . 6 1 1 A 66 66 GLY HA3 H 66 4.148 4.087 0.061 1
1 756 . 6 1 1 A 66 66 GLY C C 66 171.798 173.145 -1.347 1
1 757 . 6 1 1 A 66 66 GLY CA C 66 44.687 44.785 -0.098 1
1 758 . 6 1 1 A 66 66 GLY N N 66 110.632 107.364 3.268 1
1 759 . 6 1 1 A 67 67 PRO HA H 67 4.458 4.543 -0.085 1
1 766 . 6 1 1 A 67 67 PRO C C 67 177.429 176.987 0.442 1
1 767 . 6 1 1 A 67 67 PRO CA C 67 63.309 62.866 0.443 1
1 768 . 6 1 1 A 67 67 PRO CB C 67 32.200 32.025 0.175 1
1 771 . 6 1 1 A 68 68 SER H H 68 8.535 8.510 0.025 1
1 772 . 6 1 1 A 68 68 SER HA H 68 4.482 4.440 0.042 1
1 775 . 6 1 1 A 68 68 SER C C 68 174.638 174.625 0.013 1
1 776 . 6 1 1 A 68 68 SER CA C 68 58.444 58.410 0.034 1
1 777 . 6 1 1 A 68 68 SER CB C 68 63.838 63.459 0.379 1
1 778 . 6 1 1 A 68 68 SER N N 68 116.359 115.469 0.890 1
1 779 . 6 1 1 A 69 69 SER H H 69 8.300 8.401 -0.101 1
1 780 . 6 1 1 A 69 69 SER HA H 69 4.477 4.923 -0.446 1
1 783 . 6 1 1 A 69 69 SER C C 69 173.934 175.816 -1.882 1
1 784 . 6 1 1 A 69 69 SER CA C 69 58.374 56.736 1.638 1
1 785 . 6 1 1 A 69 69 SER CB C 69 64.134 65.328 -1.194 1
1 786 . 6 1 1 A 69 69 SER N N 69 117.715 116.903 0.812 1
1 1 . 7 1 1 A 10 10 SER HA H 10 4.461 4.632 -0.171 1
1 4 . 7 1 1 A 10 10 SER C C 10 174.492 173.367 1.125 1
1 5 . 7 1 1 A 10 10 SER CA C 10 58.479 57.627 0.852 1
1 6 . 7 1 1 A 10 10 SER CB C 10 63.932 62.483 1.449 1
1 7 . 7 1 1 A 11 11 ARG H H 11 8.318 7.863 0.455 1
1 8 . 7 1 1 A 11 11 ARG HA H 11 4.391 4.977 -0.586 1
1 15 . 7 1 1 A 11 11 ARG C C 11 176.264 175.169 1.095 1
1 16 . 7 1 1 A 11 11 ARG CA C 11 56.118 54.672 1.446 1
1 17 . 7 1 1 A 11 11 ARG CB C 11 30.849 34.835 -3.986 1
1 20 . 7 1 1 A 11 11 ARG N N 11 122.795 127.070 -4.275 1
1 21 . 7 1 1 A 12 12 THR H H 12 8.159 8.646 -0.487 1
1 22 . 7 1 1 A 12 12 THR HA H 12 4.150 4.798 -0.648 1
1 27 . 7 1 1 A 12 12 THR C C 12 173.740 172.301 1.439 1
1 28 . 7 1 1 A 12 12 THR CA C 12 62.463 61.101 1.362 1
1 29 . 7 1 1 A 12 12 THR CB C 12 69.770 71.889 -2.119 1
1 31 . 7 1 1 A 12 12 THR N N 12 117.261 115.850 1.411 1
1 32 . 7 1 1 A 13 13 ARG H H 13 8.319 8.837 -0.518 1
1 33 . 7 1 1 A 13 13 ARG HA H 13 4.332 5.065 -0.733 1
1 40 . 7 1 1 A 13 13 ARG C C 13 175.560 174.834 0.726 1
1 41 . 7 1 1 A 13 13 ARG CA C 13 55.518 54.170 1.348 1
1 42 . 7 1 1 A 13 13 ARG CB C 13 30.763 33.688 -2.925 1
1 45 . 7 1 1 A 13 13 ARG N N 13 125.163 128.296 -3.133 1
1 46 . 7 1 1 A 14 14 PHE H H 14 8.195 9.193 -0.998 1
1 47 . 7 1 1 A 14 14 PHE HA H 14 4.952 5.235 -0.283 1
1 55 . 7 1 1 A 14 14 PHE C C 14 176.993 174.286 2.707 1
1 56 . 7 1 1 A 14 14 PHE CA C 14 56.859 56.821 0.038 1
1 57 . 7 1 1 A 14 14 PHE CB C 14 41.107 42.551 -1.444 1
1 63 . 7 1 1 A 14 14 PHE N N 14 121.558 124.930 -3.372 1
1 64 . 7 1 1 A 15 15 THR H H 15 8.999 8.458 0.541 1
1 65 . 7 1 1 A 15 15 THR HA H 15 4.491 4.900 -0.409 1
1 70 . 7 1 1 A 15 15 THR C C 15 174.856 175.216 -0.360 1
1 71 . 7 1 1 A 15 15 THR CA C 15 60.559 59.706 0.853 1
1 72 . 7 1 1 A 15 15 THR CB C 15 70.890 70.888 0.002 1
1 74 . 7 1 1 A 15 15 THR N N 15 113.369 114.391 -1.022 1
1 75 . 7 1 1 A 16 16 ASP H H 16 8.906 9.217 -0.311 1
1 76 . 7 1 1 A 16 16 ASP HA H 16 4.333 4.272 0.061 1
1 79 . 7 1 1 A 16 16 ASP C C 16 178.764 177.887 0.877 1
1 80 . 7 1 1 A 16 16 ASP CA C 16 57.911 58.168 -0.257 1
1 81 . 7 1 1 A 16 16 ASP CB C 16 39.994 40.336 -0.342 1
1 82 . 7 1 1 A 16 16 ASP N N 16 120.884 127.146 -6.262 1
1 83 . 7 1 1 A 17 17 TYR H H 17 8.356 7.839 0.517 1
1 84 . 7 1 1 A 17 17 TYR HA H 17 4.211 4.091 0.120 1
1 91 . 7 1 1 A 17 17 TYR C C 17 176.264 178.009 -1.745 1
1 92 . 7 1 1 A 17 17 TYR CA C 17 61.045 61.482 -0.437 1
1 93 . 7 1 1 A 17 17 TYR CB C 17 38.666 38.928 -0.262 1
1 98 . 7 1 1 A 17 17 TYR N N 17 119.909 122.574 -2.665 1
1 99 . 7 1 1 A 18 18 GLN H H 18 7.582 8.244 -0.662 1
1 100 . 7 1 1 A 18 18 GLN HA H 18 3.482 3.663 -0.181 1
1 107 . 7 1 1 A 18 18 GLN C C 18 177.502 178.218 -0.716 1
1 108 . 7 1 1 A 18 18 GLN CA C 18 58.726 58.454 0.272 1
1 109 . 7 1 1 A 18 18 GLN CB C 18 27.717 28.160 -0.443 1
1 111 . 7 1 1 A 18 18 GLN N N 18 116.647 118.684 -2.037 1
1 113 . 7 1 1 A 19 19 LEU H H 19 8.170 8.731 -0.561 1
1 114 . 7 1 1 A 19 19 LEU HA H 19 3.508 3.660 -0.152 1
1 124 . 7 1 1 A 19 19 LEU C C 19 178.546 179.024 -0.478 1
1 125 . 7 1 1 A 19 19 LEU CA C 19 57.625 57.896 -0.271 1
1 126 . 7 1 1 A 19 19 LEU CB C 19 41.812 41.331 0.481 1
1 130 . 7 1 1 A 19 19 LEU N N 19 115.406 119.659 -4.253 1
1 131 . 7 1 1 A 20 20 ARG H H 20 7.792 8.091 -0.299 1
1 132 . 7 1 1 A 20 20 ARG HA H 20 3.917 3.930 -0.013 1
1 138 . 7 1 1 A 20 20 ARG C C 20 178.036 178.693 -0.657 1
1 139 . 7 1 1 A 20 20 ARG CA C 20 59.026 59.085 -0.059 1
1 140 . 7 1 1 A 20 20 ARG CB C 20 29.861 29.967 -0.106 1
1 143 . 7 1 1 A 20 20 ARG N N 20 120.360 120.608 -0.248 1
1 144 . 7 1 1 A 21 21 VAL H H 21 7.601 7.700 -0.099 1
1 145 . 7 1 1 A 21 21 VAL HA H 21 3.533 3.605 -0.072 1
1 153 . 7 1 1 A 21 21 VAL C C 21 179.541 178.215 1.326 1
1 154 . 7 1 1 A 21 21 VAL CA C 21 66.327 66.156 0.171 1
1 155 . 7 1 1 A 21 21 VAL CB C 21 31.509 31.453 0.056 1
1 158 . 7 1 1 A 21 21 VAL N N 21 119.151 119.129 0.022 1
1 159 . 7 1 1 A 22 22 LEU H H 22 7.898 8.364 -0.466 1
1 160 . 7 1 1 A 22 22 LEU HA H 22 3.513 3.843 -0.330 1
1 170 . 7 1 1 A 22 22 LEU C C 22 177.527 178.949 -1.422 1
1 171 . 7 1 1 A 22 22 LEU CA C 22 58.181 57.913 0.268 1
1 172 . 7 1 1 A 22 22 LEU CB C 22 38.573 40.367 -1.794 1
1 176 . 7 1 1 A 22 22 LEU N N 22 119.825 119.756 0.069 1
1 177 . 7 1 1 A 23 23 GLN H H 23 8.171 8.338 -0.167 1
1 178 . 7 1 1 A 23 23 GLN HA H 23 3.925 3.971 -0.046 1
1 185 . 7 1 1 A 23 23 GLN C C 23 178.061 177.484 0.577 1
1 186 . 7 1 1 A 23 23 GLN CA C 23 58.832 58.944 -0.112 1
1 187 . 7 1 1 A 23 23 GLN CB C 23 28.769 28.701 0.068 1
1 189 . 7 1 1 A 23 23 GLN N N 23 118.186 118.462 -0.276 1
1 191 . 7 1 1 A 24 24 ASP H H 24 8.446 7.982 0.464 1
1 192 . 7 1 1 A 24 24 ASP HA H 24 4.373 4.450 -0.077 1
1 195 . 7 1 1 A 24 24 ASP C C 24 179.347 178.703 0.644 1
1 196 . 7 1 1 A 24 24 ASP CA C 24 57.294 57.279 0.015 1
1 197 . 7 1 1 A 24 24 ASP CB C 24 40.035 41.022 -0.987 1
1 198 . 7 1 1 A 24 24 ASP N N 24 118.634 119.549 -0.915 1
1 199 . 7 1 1 A 25 25 PHE H H 25 8.224 8.280 -0.056 1
1 200 . 7 1 1 A 25 25 PHE HA H 25 4.062 4.276 -0.214 1
1 208 . 7 1 1 A 25 25 PHE C C 25 177.891 177.703 0.188 1
1 209 . 7 1 1 A 25 25 PHE CA C 25 61.546 61.047 0.499 1
1 210 . 7 1 1 A 25 25 PHE CB C 25 39.246 39.024 0.222 1
1 216 . 7 1 1 A 25 25 PHE N N 25 121.633 120.346 1.287 1
1 217 . 7 1 1 A 26 26 PHE H H 26 9.167 8.155 1.012 1
1 218 . 7 1 1 A 26 26 PHE HA H 26 4.302 4.666 -0.364 1
1 226 . 7 1 1 A 26 26 PHE C C 26 176.531 176.925 -0.394 1
1 227 . 7 1 1 A 26 26 PHE CA C 26 61.476 61.379 0.097 1
1 228 . 7 1 1 A 26 26 PHE CB C 26 39.471 38.991 0.480 1
1 234 . 7 1 1 A 26 26 PHE N N 26 121.265 120.085 1.180 1
1 235 . 7 1 1 A 27 27 ASP H H 27 8.654 8.434 0.220 1
1 236 . 7 1 1 A 27 27 ASP HA H 27 4.238 4.488 -0.250 1
1 239 . 7 1 1 A 27 27 ASP C C 27 177.429 177.490 -0.061 1
1 240 . 7 1 1 A 27 27 ASP CA C 27 56.717 57.758 -1.041 1
1 241 . 7 1 1 A 27 27 ASP CB C 27 40.406 41.990 -1.584 1
1 242 . 7 1 1 A 27 27 ASP N N 27 116.555 119.520 -2.965 1
1 243 . 7 1 1 A 28 28 ALA H H 28 7.262 7.283 -0.021 1
1 244 . 7 1 1 A 28 28 ALA HA H 28 4.316 4.288 0.028 1
1 248 . 7 1 1 A 28 28 ALA C C 28 177.891 177.435 0.456 1
1 249 . 7 1 1 A 28 28 ALA CA C 28 52.839 53.638 -0.799 1
1 250 . 7 1 1 A 28 28 ALA CB C 28 19.698 19.593 0.105 1
1 251 . 7 1 1 A 28 28 ALA N N 28 120.441 119.158 1.283 1
1 252 . 7 1 1 A 29 29 ASN H H 29 8.346 8.440 -0.094 1
1 253 . 7 1 1 A 29 29 ASN HA H 29 4.432 5.019 -0.587 1
1 258 . 7 1 1 A 29 29 ASN C C 29 172.259 174.504 -2.245 1
1 259 . 7 1 1 A 29 29 ASN CA C 29 52.943 52.565 0.378 1
1 260 . 7 1 1 A 29 29 ASN CB C 29 38.435 41.351 -2.916 1
1 261 . 7 1 1 A 29 29 ASN N N 29 118.701 114.757 3.944 1
1 263 . 7 1 1 A 30 30 ALA H H 30 8.177 8.713 -0.536 1
1 264 . 7 1 1 A 30 30 ALA HA H 30 4.010 4.801 -0.791 1
1 268 . 7 1 1 A 30 30 ALA C C 30 176.798 177.077 -0.279 1
1 269 . 7 1 1 A 30 30 ALA CA C 30 52.980 51.153 1.827 1
1 270 . 7 1 1 A 30 30 ALA CB C 30 19.233 19.664 -0.431 1
1 271 . 7 1 1 A 30 30 ALA N N 30 124.112 128.440 -4.328 1
1 272 . 7 1 1 A 31 31 TYR H H 31 7.984 7.917 0.067 1
1 273 . 7 1 1 A 31 31 TYR HA H 31 4.672 5.145 -0.473 1
1 280 . 7 1 1 A 31 31 TYR C C 31 172.283 173.133 -0.850 1
1 281 . 7 1 1 A 31 31 TYR CA C 31 55.483 55.597 -0.114 1
1 282 . 7 1 1 A 31 31 TYR CB C 31 39.058 38.317 0.741 1
1 287 . 7 1 1 A 31 31 TYR N N 31 115.568 117.696 -2.128 1
1 288 . 7 1 1 A 32 32 PRO HA H 32 4.249 4.737 -0.488 1
1 295 . 7 1 1 A 32 32 PRO C C 32 176.871 176.075 0.796 1
1 296 . 7 1 1 A 32 32 PRO CA C 32 62.710 62.640 0.070 1
1 297 . 7 1 1 A 32 32 PRO CB C 32 29.959 32.867 -2.908 1
1 300 . 7 1 1 A 33 33 LYS H H 33 9.168 8.540 0.628 1
1 301 . 7 1 1 A 33 33 LYS HA H 33 4.426 4.824 -0.398 1
1 310 . 7 1 1 A 33 33 LYS C C 33 178.061 177.742 0.319 1
1 311 . 7 1 1 A 33 33 LYS CA C 33 55.236 54.788 0.448 1
1 312 . 7 1 1 A 33 33 LYS CB C 33 33.980 34.552 -0.572 1
1 316 . 7 1 1 A 33 33 LYS N N 33 121.451 120.348 1.103 1
1 317 . 7 1 1 A 34 34 ASP H H 34 9.017 8.961 0.056 1
1 318 . 7 1 1 A 34 34 ASP HA H 34 4.566 4.286 0.280 1
1 321 . 7 1 1 A 34 34 ASP C C 34 179.007 177.961 1.046 1
1 322 . 7 1 1 A 34 34 ASP CA C 34 58.973 57.894 1.079 1
1 323 . 7 1 1 A 34 34 ASP CB C 34 39.834 40.185 -0.351 1
1 324 . 7 1 1 A 34 34 ASP N N 34 122.268 121.788 0.480 1
1 325 . 7 1 1 A 35 35 ASP H H 35 8.955 8.316 0.639 1
1 326 . 7 1 1 A 35 35 ASP HA H 35 4.408 4.342 0.066 1
1 329 . 7 1 1 A 35 35 ASP C C 35 178.837 178.661 0.176 1
1 330 . 7 1 1 A 35 35 ASP CA C 35 56.611 58.004 -1.393 1
1 331 . 7 1 1 A 35 35 ASP CB C 35 39.609 41.964 -2.355 1
1 332 . 7 1 1 A 35 35 ASP N N 35 116.861 119.264 -2.403 1
1 333 . 7 1 1 A 36 36 GLU H H 36 7.208 7.894 -0.686 1
1 334 . 7 1 1 A 36 36 GLU HA H 36 4.051 4.028 0.023 1
1 339 . 7 1 1 A 36 36 GLU C C 36 179.226 179.132 0.094 1
1 340 . 7 1 1 A 36 36 GLU CA C 36 58.761 59.148 -0.387 1
1 341 . 7 1 1 A 36 36 GLU CB C 36 29.689 29.352 0.337 1
1 343 . 7 1 1 A 36 36 GLU N N 36 121.585 118.713 2.872 1
1 344 . 7 1 1 A 37 37 PHE H H 37 7.997 8.556 -0.559 1
1 345 . 7 1 1 A 37 37 PHE HA H 37 4.164 3.954 0.210 1
1 353 . 7 1 1 A 37 37 PHE C C 37 178.400 178.163 0.237 1
1 354 . 7 1 1 A 37 37 PHE CA C 37 61.915 61.274 0.641 1
1 355 . 7 1 1 A 37 37 PHE CB C 37 38.320 38.280 0.040 1
1 361 . 7 1 1 A 37 37 PHE N N 37 118.258 119.091 -0.833 1
1 362 . 7 1 1 A 38 38 GLU H H 38 7.806 8.299 -0.493 1
1 363 . 7 1 1 A 38 38 GLU HA H 38 4.027 3.957 0.070 1
1 368 . 7 1 1 A 38 38 GLU C C 38 178.764 179.256 -0.492 1
1 369 . 7 1 1 A 38 38 GLU CA C 38 59.325 60.020 -0.695 1
1 370 . 7 1 1 A 38 38 GLU CB C 38 29.083 29.329 -0.246 1
1 372 . 7 1 1 A 38 38 GLU N N 38 118.433 118.919 -0.486 1
1 373 . 7 1 1 A 39 39 GLN H H 39 7.845 8.138 -0.293 1
1 374 . 7 1 1 A 39 39 GLN HA H 39 4.149 3.892 0.257 1
1 381 . 7 1 1 A 39 39 GLN C C 39 179.541 178.900 0.641 1
1 382 . 7 1 1 A 39 39 GLN CA C 39 59.184 59.181 0.003 1
1 383 . 7 1 1 A 39 39 GLN CB C 39 28.097 28.142 -0.045 1
1 385 . 7 1 1 A 39 39 GLN N N 39 119.859 118.762 1.097 1
1 387 . 7 1 1 A 40 40 LEU H H 40 8.130 7.490 0.640 1
1 388 . 7 1 1 A 40 40 LEU HA H 40 3.938 4.041 -0.103 1
1 398 . 7 1 1 A 40 40 LEU C C 40 178.158 179.182 -1.024 1
1 399 . 7 1 1 A 40 40 LEU CA C 40 58.092 57.566 0.526 1
1 400 . 7 1 1 A 40 40 LEU CB C 40 43.194 41.209 1.985 1
1 404 . 7 1 1 A 40 40 LEU N N 40 120.785 119.781 1.004 1
1 405 . 7 1 1 A 41 41 SER H H 41 8.241 8.355 -0.114 1
1 406 . 7 1 1 A 41 41 SER HA H 41 4.251 4.303 -0.052 1
1 409 . 7 1 1 A 41 41 SER C C 41 177.891 177.056 0.835 1
1 410 . 7 1 1 A 41 41 SER CA C 41 61.194 61.472 -0.278 1
1 411 . 7 1 1 A 41 41 SER CB C 41 63.501 62.472 1.029 1
1 412 . 7 1 1 A 41 41 SER N N 41 114.804 113.825 0.979 1
1 413 . 7 1 1 A 42 42 ASN H H 42 7.969 7.906 0.063 1
1 414 . 7 1 1 A 42 42 ASN HA H 42 4.515 4.632 -0.117 1
1 419 . 7 1 1 A 42 42 ASN C C 42 177.381 177.838 -0.457 1
1 420 . 7 1 1 A 42 42 ASN CA C 42 55.871 56.162 -0.291 1
1 421 . 7 1 1 A 42 42 ASN CB C 42 38.920 38.730 0.190 1
1 422 . 7 1 1 A 42 42 ASN N N 42 118.051 120.866 -2.815 1
1 424 . 7 1 1 A 43 43 LEU H H 43 8.169 7.592 0.577 1
1 425 . 7 1 1 A 43 43 LEU HA H 43 4.189 4.108 0.081 1
1 435 . 7 1 1 A 43 43 LEU C C 43 178.837 178.724 0.113 1
1 436 . 7 1 1 A 43 43 LEU CA C 43 57.845 58.170 -0.325 1
1 437 . 7 1 1 A 43 43 LEU CB C 43 43.382 42.051 1.331 1
1 441 . 7 1 1 A 43 43 LEU N N 43 120.419 121.435 -1.016 1
1 442 . 7 1 1 A 44 44 LEU H H 44 8.185 7.998 0.187 1
1 443 . 7 1 1 A 44 44 LEU HA H 44 4.445 4.162 0.283 1
1 453 . 7 1 1 A 44 44 LEU C C 44 176.677 176.510 0.167 1
1 454 . 7 1 1 A 44 44 LEU CA C 44 54.397 55.138 -0.741 1
1 455 . 7 1 1 A 44 44 LEU CB C 44 43.111 42.036 1.075 1
1 459 . 7 1 1 A 44 44 LEU N N 44 113.030 118.430 -5.400 1
1 460 . 7 1 1 A 45 45 ASN H H 45 8.100 8.237 -0.137 1
1 461 . 7 1 1 A 45 45 ASN HA H 45 4.440 4.504 -0.064 1
1 466 . 7 1 1 A 45 45 ASN C C 45 174.395 173.848 0.547 1
1 467 . 7 1 1 A 45 45 ASN CA C 45 54.073 54.532 -0.459 1
1 468 . 7 1 1 A 45 45 ASN CB C 45 36.970 37.664 -0.694 1
1 469 . 7 1 1 A 45 45 ASN N N 45 117.438 117.797 -0.359 1
1 471 . 7 1 1 A 46 46 LEU H H 46 7.476 7.775 -0.299 1
1 472 . 7 1 1 A 46 46 LEU HA H 46 4.980 4.760 0.220 1
1 482 . 7 1 1 A 46 46 LEU C C 46 173.691 174.671 -0.980 1
1 483 . 7 1 1 A 46 46 LEU CA C 46 51.032 51.769 -0.737 1
1 484 . 7 1 1 A 46 46 LEU CB C 46 46.668 43.443 3.225 1
1 488 . 7 1 1 A 46 46 LEU N N 46 117.604 119.713 -2.109 1
1 489 . 7 1 1 A 47 47 PRO HA H 47 4.515 4.666 -0.151 1
1 496 . 7 1 1 A 47 47 PRO C C 47 177.915 177.627 0.288 1
1 497 . 7 1 1 A 47 47 PRO CA C 47 62.392 62.950 -0.558 1
1 498 . 7 1 1 A 47 47 PRO CB C 47 32.592 31.886 0.706 1
1 501 . 7 1 1 A 48 48 THR H H 48 8.818 8.671 0.147 1
1 502 . 7 1 1 A 48 48 THR HA H 48 3.590 3.997 -0.407 1
1 507 . 7 1 1 A 48 48 THR C C 48 176.628 175.913 0.715 1
1 508 . 7 1 1 A 48 48 THR CA C 48 67.384 65.386 1.998 1
1 509 . 7 1 1 A 48 48 THR CB C 48 67.996 68.444 -0.448 1
1 511 . 7 1 1 A 48 48 THR N N 48 120.240 118.402 1.838 1
1 512 . 7 1 1 A 49 49 ARG H H 49 8.750 8.309 0.441 1
1 513 . 7 1 1 A 49 49 ARG HA H 49 3.899 4.052 -0.153 1
1 520 . 7 1 1 A 49 49 ARG C C 49 178.012 178.427 -0.415 1
1 521 . 7 1 1 A 49 49 ARG CA C 49 59.079 58.705 0.374 1
1 522 . 7 1 1 A 49 49 ARG CB C 49 29.474 30.186 -0.712 1
1 525 . 7 1 1 A 49 49 ARG N N 49 117.541 121.065 -3.524 1
1 526 . 7 1 1 A 50 50 VAL H H 50 6.994 8.093 -1.099 1
1 527 . 7 1 1 A 50 50 VAL HA H 50 3.885 3.773 0.112 1
1 535 . 7 1 1 A 50 50 VAL C C 50 178.400 178.559 -0.159 1
1 536 . 7 1 1 A 50 50 VAL CA C 50 65.099 66.136 -1.037 1
1 537 . 7 1 1 A 50 50 VAL CB C 50 31.909 31.634 0.275 1
1 540 . 7 1 1 A 50 50 VAL N N 50 115.765 120.300 -4.535 1
1 541 . 7 1 1 A 51 51 ILE H H 51 7.358 7.976 -0.618 1
1 542 . 7 1 1 A 51 51 ILE HA H 51 3.814 3.896 -0.082 1
1 552 . 7 1 1 A 51 51 ILE C C 51 177.648 178.946 -1.298 1
1 553 . 7 1 1 A 51 51 ILE CA C 51 65.318 64.078 1.240 1
1 554 . 7 1 1 A 51 51 ILE CB C 51 38.017 36.343 1.674 1
1 558 . 7 1 1 A 51 51 ILE N N 51 122.170 120.154 2.016 1
1 559 . 7 1 1 A 52 52 VAL H H 52 8.401 8.548 -0.147 1
1 560 . 7 1 1 A 52 52 VAL HA H 52 3.290 3.711 -0.421 1
1 568 . 7 1 1 A 52 52 VAL C C 52 179.177 178.086 1.091 1
1 569 . 7 1 1 A 52 52 VAL CA C 52 67.021 66.893 0.128 1
1 570 . 7 1 1 A 52 52 VAL CB C 52 31.583 31.513 0.070 1
1 573 . 7 1 1 A 52 52 VAL N N 52 121.321 121.492 -0.171 1
1 574 . 7 1 1 A 53 53 VAL H H 53 7.691 7.747 -0.056 1
1 575 . 7 1 1 A 53 53 VAL HA H 53 3.711 3.778 -0.067 1
1 583 . 7 1 1 A 53 53 VAL C C 53 177.648 178.263 -0.615 1
1 584 . 7 1 1 A 53 53 VAL CA C 53 66.531 66.409 0.122 1
1 585 . 7 1 1 A 53 53 VAL CB C 53 31.936 31.643 0.293 1
1 588 . 7 1 1 A 53 53 VAL N N 53 119.305 119.123 0.182 1
1 589 . 7 1 1 A 54 54 TRP H H 54 8.127 7.912 0.215 1
1 590 . 7 1 1 A 54 54 TRP HA H 54 4.016 4.291 -0.275 1
1 599 . 7 1 1 A 54 54 TRP C C 54 180.100 178.454 1.646 1
1 600 . 7 1 1 A 54 54 TRP CA C 54 63.534 61.401 2.133 1
1 601 . 7 1 1 A 54 54 TRP CB C 54 28.747 29.501 -0.754 1
1 607 . 7 1 1 A 54 54 TRP N N 54 122.197 121.660 0.537 1
1 609 . 7 1 1 A 55 55 PHE H H 55 8.964 8.696 0.268 1
1 610 . 7 1 1 A 55 55 PHE HA H 55 3.843 4.526 -0.683 1
1 618 . 7 1 1 A 55 55 PHE C C 55 178.158 178.485 -0.327 1
1 619 . 7 1 1 A 55 55 PHE CA C 55 63.309 62.535 0.774 1
1 620 . 7 1 1 A 55 55 PHE CB C 55 39.818 39.082 0.736 1
1 626 . 7 1 1 A 55 55 PHE N N 55 119.663 118.703 0.960 1
1 627 . 7 1 1 A 56 56 GLN H H 56 8.412 8.794 -0.382 1
1 628 . 7 1 1 A 56 56 GLN HA H 56 3.984 3.915 0.069 1
1 635 . 7 1 1 A 56 56 GLN C C 56 179.420 179.109 0.311 1
1 636 . 7 1 1 A 56 56 GLN CA C 56 59.678 59.231 0.447 1
1 637 . 7 1 1 A 56 56 GLN CB C 56 27.981 28.201 -0.220 1
1 639 . 7 1 1 A 56 56 GLN N N 56 118.932 117.765 1.167 1
1 641 . 7 1 1 A 57 57 ASN H H 57 8.358 7.834 0.524 1
1 642 . 7 1 1 A 57 57 ASN HA H 57 4.302 4.458 -0.156 1
1 647 . 7 1 1 A 57 57 ASN C C 57 177.308 177.630 -0.322 1
1 648 . 7 1 1 A 57 57 ASN CA C 57 55.836 56.036 -0.200 1
1 649 . 7 1 1 A 57 57 ASN CB C 57 38.123 38.394 -0.271 1
1 650 . 7 1 1 A 57 57 ASN N N 57 118.552 118.488 0.064 1
1 652 . 7 1 1 A 58 58 ALA H H 58 8.097 7.718 0.379 1
1 653 . 7 1 1 A 58 58 ALA HA H 58 3.280 3.516 -0.236 1
1 657 . 7 1 1 A 58 58 ALA C C 58 180.512 180.034 0.478 1
1 658 . 7 1 1 A 58 58 ALA CA C 58 54.711 54.790 -0.079 1
1 659 . 7 1 1 A 58 58 ALA CB C 58 16.685 17.557 -0.872 1
1 660 . 7 1 1 A 58 58 ALA N N 58 125.426 121.728 3.698 1
1 661 . 7 1 1 A 59 59 ARG H H 59 8.104 7.666 0.438 1
1 662 . 7 1 1 A 59 59 ARG HA H 59 4.159 4.315 -0.156 1
1 669 . 7 1 1 A 59 59 ARG C C 59 178.570 179.164 -0.594 1
1 670 . 7 1 1 A 59 59 ARG CA C 59 59.916 59.848 0.068 1
1 671 . 7 1 1 A 59 59 ARG CB C 59 31.344 29.979 1.365 1
1 674 . 7 1 1 A 59 59 ARG N N 59 117.308 117.434 -0.126 1
1 675 . 7 1 1 A 60 60 GLN H H 60 7.532 8.005 -0.473 1
1 676 . 7 1 1 A 60 60 GLN HA H 60 4.118 4.046 0.072 1
1 683 . 7 1 1 A 60 60 GLN C C 60 178.036 178.836 -0.800 1
1 684 . 7 1 1 A 60 60 GLN CA C 60 58.021 58.759 -0.738 1
1 685 . 7 1 1 A 60 60 GLN CB C 60 28.460 28.327 0.133 1
1 687 . 7 1 1 A 60 60 GLN N N 60 118.195 118.501 -0.306 1
1 689 . 7 1 1 A 61 61 LYS H H 61 7.738 7.983 -0.245 1
1 690 . 7 1 1 A 61 61 LYS HA H 61 4.038 4.044 -0.006 1
1 699 . 7 1 1 A 61 61 LYS C C 61 177.454 178.978 -1.524 1
1 700 . 7 1 1 A 61 61 LYS CA C 61 57.938 59.243 -1.305 1
1 701 . 7 1 1 A 61 61 LYS CB C 61 32.497 31.971 0.526 1
1 705 . 7 1 1 A 61 61 LYS N N 61 119.476 118.956 0.520 1
1 706 . 7 1 1 A 62 62 ALA H H 62 7.699 8.176 -0.477 1
1 707 . 7 1 1 A 62 62 ALA HA H 62 4.265 4.156 0.109 1
1 711 . 7 1 1 A 62 62 ALA C C 62 177.818 178.444 -0.626 1
1 712 . 7 1 1 A 62 62 ALA CA C 62 52.945 55.050 -2.105 1
1 713 . 7 1 1 A 62 62 ALA CB C 62 18.904 18.285 0.619 1
1 714 . 7 1 1 A 62 62 ALA N N 62 121.322 122.039 -0.717 1
1 715 . 7 1 1 A 63 63 ARG H H 63 7.831 7.754 0.077 1
1 716 . 7 1 1 A 63 63 ARG HA H 63 4.237 4.263 -0.026 1
1 722 . 7 1 1 A 63 63 ARG C C 63 176.580 175.889 0.691 1
1 723 . 7 1 1 A 63 63 ARG CA C 63 56.717 56.983 -0.266 1
1 724 . 7 1 1 A 63 63 ARG CB C 63 30.124 30.877 -0.753 1
1 727 . 7 1 1 A 63 63 ARG N N 63 118.592 117.854 0.738 1
1 728 . 7 1 1 A 64 64 LYS H H 64 8.213 8.841 -0.628 1
1 729 . 7 1 1 A 64 64 LYS HA H 64 4.365 5.381 -1.016 1
1 738 . 7 1 1 A 64 64 LYS C C 64 176.677 174.752 1.925 1
1 739 . 7 1 1 A 64 64 LYS CA C 64 56.329 54.380 1.949 1
1 740 . 7 1 1 A 64 64 LYS CB C 64 32.906 36.757 -3.851 1
1 744 . 7 1 1 A 64 64 LYS N N 64 121.456 121.105 0.351 1
1 745 . 7 1 1 A 65 65 SER H H 65 8.289 8.688 -0.399 1
1 746 . 7 1 1 A 65 65 SER HA H 65 4.510 4.976 -0.466 1
1 749 . 7 1 1 A 65 65 SER C C 65 174.492 172.808 1.684 1
1 750 . 7 1 1 A 65 65 SER CA C 65 58.303 57.432 0.871 1
1 751 . 7 1 1 A 65 65 SER CB C 65 64.052 66.200 -2.148 1
1 752 . 7 1 1 A 65 65 SER N N 65 116.719 114.043 2.676 1
1 753 . 7 1 1 A 66 66 GLY H H 66 8.242 8.361 -0.119 1
1 754 . 7 1 1 A 66 66 GLY HA2 H 66 4.120 4.208 -0.088 1
1 755 . 7 1 1 A 66 66 GLY HA3 H 66 4.148 4.208 -0.060 1
1 756 . 7 1 1 A 66 66 GLY C C 66 171.798 174.102 -2.304 1
1 757 . 7 1 1 A 66 66 GLY CA C 66 44.687 45.231 -0.544 1
1 758 . 7 1 1 A 66 66 GLY N N 66 110.632 107.510 3.122 1
1 759 . 7 1 1 A 67 67 PRO HA H 67 4.458 4.456 0.002 1
1 766 . 7 1 1 A 67 67 PRO C C 67 177.429 177.635 -0.206 1
1 767 . 7 1 1 A 67 67 PRO CA C 67 63.309 64.022 -0.713 1
1 768 . 7 1 1 A 67 67 PRO CB C 67 32.200 31.793 0.407 1
1 771 . 7 1 1 A 68 68 SER H H 68 8.535 8.114 0.421 1
1 772 . 7 1 1 A 68 68 SER HA H 68 4.482 4.444 0.038 1
1 775 . 7 1 1 A 68 68 SER C C 68 174.638 174.210 0.428 1
1 776 . 7 1 1 A 68 68 SER CA C 68 58.444 60.356 -1.912 1
1 777 . 7 1 1 A 68 68 SER CB C 68 63.838 64.353 -0.515 1
1 778 . 7 1 1 A 68 68 SER N N 68 116.359 113.110 3.249 1
1 779 . 7 1 1 A 69 69 SER H H 69 8.300 7.769 0.531 1
1 780 . 7 1 1 A 69 69 SER HA H 69 4.477 4.803 -0.326 1
1 783 . 7 1 1 A 69 69 SER C C 69 173.934 172.831 1.103 1
1 784 . 7 1 1 A 69 69 SER CA C 69 58.374 57.633 0.741 1
1 785 . 7 1 1 A 69 69 SER CB C 69 64.134 65.668 -1.534 1
1 786 . 7 1 1 A 69 69 SER N N 69 117.715 110.438 7.277 1
1 1 . 8 1 1 A 10 10 SER HA H 10 4.461 4.338 0.123 1
1 4 . 8 1 1 A 10 10 SER C C 10 174.492 173.980 0.512 1
1 5 . 8 1 1 A 10 10 SER CA C 10 58.479 59.090 -0.611 1
1 6 . 8 1 1 A 10 10 SER CB C 10 63.932 63.408 0.524 1
1 7 . 8 1 1 A 11 11 ARG H H 11 8.318 8.712 -0.394 1
1 8 . 8 1 1 A 11 11 ARG HA H 11 4.391 4.554 -0.163 1
1 15 . 8 1 1 A 11 11 ARG C C 11 176.264 174.620 1.644 1
1 16 . 8 1 1 A 11 11 ARG CA C 11 56.118 55.388 0.730 1
1 17 . 8 1 1 A 11 11 ARG CB C 11 30.849 30.668 0.181 1
1 20 . 8 1 1 A 11 11 ARG N N 11 122.795 125.393 -2.598 1
1 21 . 8 1 1 A 12 12 THR H H 12 8.159 8.872 -0.713 1
1 22 . 8 1 1 A 12 12 THR HA H 12 4.150 4.611 -0.461 1
1 27 . 8 1 1 A 12 12 THR C C 12 173.740 172.855 0.885 1
1 28 . 8 1 1 A 12 12 THR CA C 12 62.463 62.068 0.395 1
1 29 . 8 1 1 A 12 12 THR CB C 12 69.770 69.040 0.730 1
1 31 . 8 1 1 A 12 12 THR N N 12 117.261 121.308 -4.047 1
1 32 . 8 1 1 A 13 13 ARG H H 13 8.319 8.742 -0.423 1
1 33 . 8 1 1 A 13 13 ARG HA H 13 4.332 4.863 -0.531 1
1 40 . 8 1 1 A 13 13 ARG C C 13 175.560 175.133 0.427 1
1 41 . 8 1 1 A 13 13 ARG CA C 13 55.518 54.291 1.227 1
1 42 . 8 1 1 A 13 13 ARG CB C 13 30.763 33.643 -2.880 1
1 45 . 8 1 1 A 13 13 ARG N N 13 125.163 127.676 -2.513 1
1 46 . 8 1 1 A 14 14 PHE H H 14 8.195 8.938 -0.743 1
1 47 . 8 1 1 A 14 14 PHE HA H 14 4.952 4.982 -0.030 1
1 55 . 8 1 1 A 14 14 PHE C C 14 176.993 174.507 2.486 1
1 56 . 8 1 1 A 14 14 PHE CA C 14 56.859 57.264 -0.405 1
1 57 . 8 1 1 A 14 14 PHE CB C 14 41.107 41.359 -0.252 1
1 63 . 8 1 1 A 14 14 PHE N N 14 121.558 125.318 -3.760 1
1 64 . 8 1 1 A 15 15 THR H H 15 8.999 8.424 0.575 1
1 65 . 8 1 1 A 15 15 THR HA H 15 4.491 4.896 -0.405 1
1 70 . 8 1 1 A 15 15 THR C C 15 174.856 175.216 -0.360 1
1 71 . 8 1 1 A 15 15 THR CA C 15 60.559 59.685 0.874 1
1 72 . 8 1 1 A 15 15 THR CB C 15 70.890 70.873 0.017 1
1 74 . 8 1 1 A 15 15 THR N N 15 113.369 115.217 -1.848 1
1 75 . 8 1 1 A 16 16 ASP H H 16 8.906 9.270 -0.364 1
1 76 . 8 1 1 A 16 16 ASP HA H 16 4.333 4.273 0.060 1
1 79 . 8 1 1 A 16 16 ASP C C 16 178.764 177.909 0.855 1
1 80 . 8 1 1 A 16 16 ASP CA C 16 57.911 58.217 -0.306 1
1 81 . 8 1 1 A 16 16 ASP CB C 16 39.994 40.408 -0.414 1
1 82 . 8 1 1 A 16 16 ASP N N 16 120.884 127.399 -6.515 1
1 83 . 8 1 1 A 17 17 TYR H H 17 8.356 8.158 0.198 1
1 84 . 8 1 1 A 17 17 TYR HA H 17 4.211 4.121 0.090 1
1 91 . 8 1 1 A 17 17 TYR C C 17 176.264 177.906 -1.642 1
1 92 . 8 1 1 A 17 17 TYR CA C 17 61.045 61.865 -0.820 1
1 93 . 8 1 1 A 17 17 TYR CB C 17 38.666 38.695 -0.029 1
1 98 . 8 1 1 A 17 17 TYR N N 17 119.909 122.152 -2.243 1
1 99 . 8 1 1 A 18 18 GLN H H 18 7.582 8.224 -0.642 1
1 100 . 8 1 1 A 18 18 GLN HA H 18 3.482 3.480 0.002 1
1 107 . 8 1 1 A 18 18 GLN C C 18 177.502 178.607 -1.105 1
1 108 . 8 1 1 A 18 18 GLN CA C 18 58.726 58.708 0.018 1
1 109 . 8 1 1 A 18 18 GLN CB C 18 27.717 28.345 -0.628 1
1 111 . 8 1 1 A 18 18 GLN N N 18 116.647 118.275 -1.628 1
1 113 . 8 1 1 A 19 19 LEU H H 19 8.170 8.702 -0.532 1
1 114 . 8 1 1 A 19 19 LEU HA H 19 3.508 3.667 -0.159 1
1 124 . 8 1 1 A 19 19 LEU C C 19 178.546 179.132 -0.586 1
1 125 . 8 1 1 A 19 19 LEU CA C 19 57.625 57.780 -0.155 1
1 126 . 8 1 1 A 19 19 LEU CB C 19 41.812 41.207 0.605 1
1 130 . 8 1 1 A 19 19 LEU N N 19 115.406 119.589 -4.183 1
1 131 . 8 1 1 A 20 20 ARG H H 20 7.792 8.146 -0.354 1
1 132 . 8 1 1 A 20 20 ARG HA H 20 3.917 3.925 -0.008 1
1 138 . 8 1 1 A 20 20 ARG C C 20 178.036 178.782 -0.746 1
1 139 . 8 1 1 A 20 20 ARG CA C 20 59.026 59.108 -0.082 1
1 140 . 8 1 1 A 20 20 ARG CB C 20 29.861 29.950 -0.089 1
1 143 . 8 1 1 A 20 20 ARG N N 20 120.360 120.599 -0.239 1
1 144 . 8 1 1 A 21 21 VAL H H 21 7.601 7.274 0.327 1
1 145 . 8 1 1 A 21 21 VAL HA H 21 3.533 3.572 -0.039 1
1 153 . 8 1 1 A 21 21 VAL C C 21 179.541 178.038 1.503 1
1 154 . 8 1 1 A 21 21 VAL CA C 21 66.327 66.150 0.177 1
1 155 . 8 1 1 A 21 21 VAL CB C 21 31.509 31.442 0.067 1
1 158 . 8 1 1 A 21 21 VAL N N 21 119.151 119.039 0.112 1
1 159 . 8 1 1 A 22 22 LEU H H 22 7.898 8.255 -0.357 1
1 160 . 8 1 1 A 22 22 LEU HA H 22 3.513 3.793 -0.280 1
1 170 . 8 1 1 A 22 22 LEU C C 22 177.527 178.961 -1.434 1
1 171 . 8 1 1 A 22 22 LEU CA C 22 58.181 58.044 0.137 1
1 172 . 8 1 1 A 22 22 LEU CB C 22 38.573 40.526 -1.953 1
1 176 . 8 1 1 A 22 22 LEU N N 22 119.825 119.516 0.309 1
1 177 . 8 1 1 A 23 23 GLN H H 23 8.171 8.257 -0.086 1
1 178 . 8 1 1 A 23 23 GLN HA H 23 3.925 3.928 -0.003 1
1 185 . 8 1 1 A 23 23 GLN C C 23 178.061 177.490 0.571 1
1 186 . 8 1 1 A 23 23 GLN CA C 23 58.832 58.910 -0.078 1
1 187 . 8 1 1 A 23 23 GLN CB C 23 28.769 28.605 0.164 1
1 189 . 8 1 1 A 23 23 GLN N N 23 118.186 118.066 0.120 1
1 191 . 8 1 1 A 24 24 ASP H H 24 8.446 8.084 0.362 1
1 192 . 8 1 1 A 24 24 ASP HA H 24 4.373 4.419 -0.046 1
1 195 . 8 1 1 A 24 24 ASP C C 24 179.347 178.582 0.765 1
1 196 . 8 1 1 A 24 24 ASP CA C 24 57.294 57.233 0.061 1
1 197 . 8 1 1 A 24 24 ASP CB C 24 40.035 41.164 -1.129 1
1 198 . 8 1 1 A 24 24 ASP N N 24 118.634 119.450 -0.816 1
1 199 . 8 1 1 A 25 25 PHE H H 25 8.224 8.322 -0.098 1
1 200 . 8 1 1 A 25 25 PHE HA H 25 4.062 4.229 -0.167 1
1 208 . 8 1 1 A 25 25 PHE C C 25 177.891 177.650 0.241 1
1 209 . 8 1 1 A 25 25 PHE CA C 25 61.546 60.998 0.548 1
1 210 . 8 1 1 A 25 25 PHE CB C 25 39.246 39.108 0.138 1
1 216 . 8 1 1 A 25 25 PHE N N 25 121.633 120.006 1.627 1
1 217 . 8 1 1 A 26 26 PHE H H 26 9.167 8.122 1.045 1
1 218 . 8 1 1 A 26 26 PHE HA H 26 4.302 4.592 -0.290 1
1 226 . 8 1 1 A 26 26 PHE C C 26 176.531 176.922 -0.391 1
1 227 . 8 1 1 A 26 26 PHE CA C 26 61.476 61.270 0.206 1
1 228 . 8 1 1 A 26 26 PHE CB C 26 39.471 38.790 0.681 1
1 234 . 8 1 1 A 26 26 PHE N N 26 121.265 120.034 1.231 1
1 235 . 8 1 1 A 27 27 ASP H H 27 8.654 8.367 0.287 1
1 236 . 8 1 1 A 27 27 ASP HA H 27 4.238 4.423 -0.185 1
1 239 . 8 1 1 A 27 27 ASP C C 27 177.429 177.501 -0.072 1
1 240 . 8 1 1 A 27 27 ASP CA C 27 56.717 57.533 -0.816 1
1 241 . 8 1 1 A 27 27 ASP CB C 27 40.406 41.985 -1.579 1
1 242 . 8 1 1 A 27 27 ASP N N 27 116.555 119.401 -2.846 1
1 243 . 8 1 1 A 28 28 ALA H H 28 7.262 7.175 0.087 1
1 244 . 8 1 1 A 28 28 ALA HA H 28 4.316 4.232 0.084 1
1 248 . 8 1 1 A 28 28 ALA C C 28 177.891 177.437 0.454 1
1 249 . 8 1 1 A 28 28 ALA CA C 28 52.839 53.370 -0.531 1
1 250 . 8 1 1 A 28 28 ALA CB C 28 19.698 19.656 0.042 1
1 251 . 8 1 1 A 28 28 ALA N N 28 120.441 119.059 1.382 1
1 252 . 8 1 1 A 29 29 ASN H H 29 8.346 8.252 0.094 1
1 253 . 8 1 1 A 29 29 ASN HA H 29 4.432 4.897 -0.465 1
1 258 . 8 1 1 A 29 29 ASN C C 29 172.259 174.207 -1.948 1
1 259 . 8 1 1 A 29 29 ASN CA C 29 52.943 52.551 0.392 1
1 260 . 8 1 1 A 29 29 ASN CB C 29 38.435 41.256 -2.821 1
1 261 . 8 1 1 A 29 29 ASN N N 29 118.701 114.867 3.834 1
1 263 . 8 1 1 A 30 30 ALA H H 30 8.177 8.090 0.087 1
1 264 . 8 1 1 A 30 30 ALA HA H 30 4.010 4.641 -0.631 1
1 268 . 8 1 1 A 30 30 ALA C C 30 176.798 176.708 0.090 1
1 269 . 8 1 1 A 30 30 ALA CA C 30 52.980 50.730 2.250 1
1 270 . 8 1 1 A 30 30 ALA CB C 30 19.233 19.247 -0.014 1
1 271 . 8 1 1 A 30 30 ALA N N 30 124.112 127.962 -3.850 1
1 272 . 8 1 1 A 31 31 TYR H H 31 7.984 7.532 0.452 1
1 273 . 8 1 1 A 31 31 TYR HA H 31 4.672 5.155 -0.483 1
1 280 . 8 1 1 A 31 31 TYR C C 31 172.283 173.153 -0.870 1
1 281 . 8 1 1 A 31 31 TYR CA C 31 55.483 55.619 -0.136 1
1 282 . 8 1 1 A 31 31 TYR CB C 31 39.058 38.331 0.727 1
1 287 . 8 1 1 A 31 31 TYR N N 31 115.568 117.726 -2.158 1
1 288 . 8 1 1 A 32 32 PRO HA H 32 4.249 4.669 -0.420 1
1 295 . 8 1 1 A 32 32 PRO C C 32 176.871 176.673 0.198 1
1 296 . 8 1 1 A 32 32 PRO CA C 32 62.710 62.925 -0.215 1
1 297 . 8 1 1 A 32 32 PRO CB C 32 29.959 32.464 -2.505 1
1 300 . 8 1 1 A 33 33 LYS H H 33 9.168 8.731 0.437 1
1 301 . 8 1 1 A 33 33 LYS HA H 33 4.426 4.812 -0.386 1
1 310 . 8 1 1 A 33 33 LYS C C 33 178.061 178.232 -0.171 1
1 311 . 8 1 1 A 33 33 LYS CA C 33 55.236 55.068 0.168 1
1 312 . 8 1 1 A 33 33 LYS CB C 33 33.980 33.787 0.193 1
1 316 . 8 1 1 A 33 33 LYS N N 33 121.451 121.370 0.081 1
1 317 . 8 1 1 A 34 34 ASP H H 34 9.017 8.879 0.138 1
1 318 . 8 1 1 A 34 34 ASP HA H 34 4.566 4.287 0.279 1
1 321 . 8 1 1 A 34 34 ASP C C 34 179.007 177.882 1.125 1
1 322 . 8 1 1 A 34 34 ASP CA C 34 58.973 57.781 1.192 1
1 323 . 8 1 1 A 34 34 ASP CB C 34 39.834 40.360 -0.526 1
1 324 . 8 1 1 A 34 34 ASP N N 34 122.268 121.846 0.422 1
1 325 . 8 1 1 A 35 35 ASP H H 35 8.955 8.387 0.568 1
1 326 . 8 1 1 A 35 35 ASP HA H 35 4.408 4.324 0.084 1
1 329 . 8 1 1 A 35 35 ASP C C 35 178.837 178.669 0.168 1
1 330 . 8 1 1 A 35 35 ASP CA C 35 56.611 58.043 -1.432 1
1 331 . 8 1 1 A 35 35 ASP CB C 35 39.609 42.175 -2.566 1
1 332 . 8 1 1 A 35 35 ASP N N 35 116.861 119.153 -2.292 1
1 333 . 8 1 1 A 36 36 GLU H H 36 7.208 8.076 -0.868 1
1 334 . 8 1 1 A 36 36 GLU HA H 36 4.051 4.031 0.020 1
1 339 . 8 1 1 A 36 36 GLU C C 36 179.226 178.992 0.234 1
1 340 . 8 1 1 A 36 36 GLU CA C 36 58.761 59.097 -0.336 1
1 341 . 8 1 1 A 36 36 GLU CB C 36 29.689 29.645 0.044 1
1 343 . 8 1 1 A 36 36 GLU N N 36 121.585 118.712 2.873 1
1 344 . 8 1 1 A 37 37 PHE H H 37 7.997 8.396 -0.399 1
1 345 . 8 1 1 A 37 37 PHE HA H 37 4.164 3.983 0.181 1
1 353 . 8 1 1 A 37 37 PHE C C 37 178.400 178.156 0.244 1
1 354 . 8 1 1 A 37 37 PHE CA C 37 61.915 61.394 0.521 1
1 355 . 8 1 1 A 37 37 PHE CB C 37 38.320 38.127 0.193 1
1 361 . 8 1 1 A 37 37 PHE N N 37 118.258 119.085 -0.827 1
1 362 . 8 1 1 A 38 38 GLU H H 38 7.806 8.215 -0.409 1
1 363 . 8 1 1 A 38 38 GLU HA H 38 4.027 3.966 0.061 1
1 368 . 8 1 1 A 38 38 GLU C C 38 178.764 179.218 -0.454 1
1 369 . 8 1 1 A 38 38 GLU CA C 38 59.325 60.075 -0.750 1
1 370 . 8 1 1 A 38 38 GLU CB C 38 29.083 29.344 -0.261 1
1 372 . 8 1 1 A 38 38 GLU N N 38 118.433 119.528 -1.095 1
1 373 . 8 1 1 A 39 39 GLN H H 39 7.845 8.239 -0.394 1
1 374 . 8 1 1 A 39 39 GLN HA H 39 4.149 3.816 0.333 1
1 381 . 8 1 1 A 39 39 GLN C C 39 179.541 178.971 0.570 1
1 382 . 8 1 1 A 39 39 GLN CA C 39 59.184 59.226 -0.042 1
1 383 . 8 1 1 A 39 39 GLN CB C 39 28.097 28.168 -0.071 1
1 385 . 8 1 1 A 39 39 GLN N N 39 119.859 118.841 1.018 1
1 387 . 8 1 1 A 40 40 LEU H H 40 8.130 7.497 0.633 1
1 388 . 8 1 1 A 40 40 LEU HA H 40 3.938 4.022 -0.084 1
1 398 . 8 1 1 A 40 40 LEU C C 40 178.158 178.944 -0.786 1
1 399 . 8 1 1 A 40 40 LEU CA C 40 58.092 57.582 0.510 1
1 400 . 8 1 1 A 40 40 LEU CB C 40 43.194 41.296 1.898 1
1 404 . 8 1 1 A 40 40 LEU N N 40 120.785 119.636 1.149 1
1 405 . 8 1 1 A 41 41 SER H H 41 8.241 8.423 -0.182 1
1 406 . 8 1 1 A 41 41 SER HA H 41 4.251 4.141 0.110 1
1 409 . 8 1 1 A 41 41 SER C C 41 177.891 177.260 0.631 1
1 410 . 8 1 1 A 41 41 SER CA C 41 61.194 61.481 -0.287 1
1 411 . 8 1 1 A 41 41 SER CB C 41 63.501 62.375 1.126 1
1 412 . 8 1 1 A 41 41 SER N N 41 114.804 113.499 1.305 1
1 413 . 8 1 1 A 42 42 ASN H H 42 7.969 8.065 -0.096 1
1 414 . 8 1 1 A 42 42 ASN HA H 42 4.515 4.620 -0.105 1
1 419 . 8 1 1 A 42 42 ASN C C 42 177.381 177.924 -0.543 1
1 420 . 8 1 1 A 42 42 ASN CA C 42 55.871 56.234 -0.363 1
1 421 . 8 1 1 A 42 42 ASN CB C 42 38.920 38.738 0.182 1
1 422 . 8 1 1 A 42 42 ASN N N 42 118.051 121.043 -2.992 1
1 424 . 8 1 1 A 43 43 LEU H H 43 8.169 7.704 0.465 1
1 425 . 8 1 1 A 43 43 LEU HA H 43 4.189 4.094 0.095 1
1 435 . 8 1 1 A 43 43 LEU C C 43 178.837 178.726 0.111 1
1 436 . 8 1 1 A 43 43 LEU CA C 43 57.845 58.249 -0.404 1
1 437 . 8 1 1 A 43 43 LEU CB C 43 43.382 42.171 1.211 1
1 441 . 8 1 1 A 43 43 LEU N N 43 120.419 121.363 -0.944 1
1 442 . 8 1 1 A 44 44 LEU H H 44 8.185 7.986 0.199 1
1 443 . 8 1 1 A 44 44 LEU HA H 44 4.445 4.224 0.221 1
1 453 . 8 1 1 A 44 44 LEU C C 44 176.677 176.527 0.150 1
1 454 . 8 1 1 A 44 44 LEU CA C 44 54.397 55.119 -0.722 1
1 455 . 8 1 1 A 44 44 LEU CB C 44 43.111 42.043 1.068 1
1 459 . 8 1 1 A 44 44 LEU N N 44 113.030 118.235 -5.205 1
1 460 . 8 1 1 A 45 45 ASN H H 45 8.100 8.256 -0.156 1
1 461 . 8 1 1 A 45 45 ASN HA H 45 4.440 4.462 -0.022 1
1 466 . 8 1 1 A 45 45 ASN C C 45 174.395 173.845 0.550 1
1 467 . 8 1 1 A 45 45 ASN CA C 45 54.073 54.465 -0.392 1
1 468 . 8 1 1 A 45 45 ASN CB C 45 36.970 37.658 -0.688 1
1 469 . 8 1 1 A 45 45 ASN N N 45 117.438 117.841 -0.403 1
1 471 . 8 1 1 A 46 46 LEU H H 46 7.476 7.382 0.094 1
1 472 . 8 1 1 A 46 46 LEU HA H 46 4.980 4.801 0.179 1
1 482 . 8 1 1 A 46 46 LEU C C 46 173.691 174.645 -0.954 1
1 483 . 8 1 1 A 46 46 LEU CA C 46 51.032 51.764 -0.732 1
1 484 . 8 1 1 A 46 46 LEU CB C 46 46.668 43.420 3.248 1
1 488 . 8 1 1 A 46 46 LEU N N 46 117.604 119.666 -2.062 1
1 489 . 8 1 1 A 47 47 PRO HA H 47 4.515 4.689 -0.174 1
1 496 . 8 1 1 A 47 47 PRO C C 47 177.915 177.614 0.301 1
1 497 . 8 1 1 A 47 47 PRO CA C 47 62.392 62.865 -0.473 1
1 498 . 8 1 1 A 47 47 PRO CB C 47 32.592 31.803 0.789 1
1 501 . 8 1 1 A 48 48 THR H H 48 8.818 8.681 0.137 1
1 502 . 8 1 1 A 48 48 THR HA H 48 3.590 3.979 -0.389 1
1 507 . 8 1 1 A 48 48 THR C C 48 176.628 176.009 0.619 1
1 508 . 8 1 1 A 48 48 THR CA C 48 67.384 65.561 1.823 1
1 509 . 8 1 1 A 48 48 THR CB C 48 67.996 68.471 -0.475 1
1 511 . 8 1 1 A 48 48 THR N N 48 120.240 118.773 1.467 1
1 512 . 8 1 1 A 49 49 ARG H H 49 8.750 8.267 0.483 1
1 513 . 8 1 1 A 49 49 ARG HA H 49 3.899 4.067 -0.168 1
1 520 . 8 1 1 A 49 49 ARG C C 49 178.012 178.364 -0.352 1
1 521 . 8 1 1 A 49 49 ARG CA C 49 59.079 58.680 0.399 1
1 522 . 8 1 1 A 49 49 ARG CB C 49 29.474 30.105 -0.631 1
1 525 . 8 1 1 A 49 49 ARG N N 49 117.541 120.970 -3.429 1
1 526 . 8 1 1 A 50 50 VAL H H 50 6.994 8.114 -1.120 1
1 527 . 8 1 1 A 50 50 VAL HA H 50 3.885 3.758 0.127 1
1 535 . 8 1 1 A 50 50 VAL C C 50 178.400 178.249 0.151 1
1 536 . 8 1 1 A 50 50 VAL CA C 50 65.099 66.236 -1.137 1
1 537 . 8 1 1 A 50 50 VAL CB C 50 31.909 31.688 0.221 1
1 540 . 8 1 1 A 50 50 VAL N N 50 115.765 120.355 -4.590 1
1 541 . 8 1 1 A 51 51 ILE H H 51 7.358 8.052 -0.694 1
1 542 . 8 1 1 A 51 51 ILE HA H 51 3.814 3.836 -0.022 1
1 552 . 8 1 1 A 51 51 ILE C C 51 177.648 178.976 -1.328 1
1 553 . 8 1 1 A 51 51 ILE CA C 51 65.318 64.480 0.838 1
1 554 . 8 1 1 A 51 51 ILE CB C 51 38.017 36.942 1.075 1
1 558 . 8 1 1 A 51 51 ILE N N 51 122.170 120.235 1.935 1
1 559 . 8 1 1 A 52 52 VAL H H 52 8.401 8.567 -0.166 1
1 560 . 8 1 1 A 52 52 VAL HA H 52 3.290 3.653 -0.363 1
1 568 . 8 1 1 A 52 52 VAL C C 52 179.177 178.083 1.094 1
1 569 . 8 1 1 A 52 52 VAL CA C 52 67.021 66.858 0.163 1
1 570 . 8 1 1 A 52 52 VAL CB C 52 31.583 31.681 -0.098 1
1 573 . 8 1 1 A 52 52 VAL N N 52 121.321 121.855 -0.534 1
1 574 . 8 1 1 A 53 53 VAL H H 53 7.691 7.712 -0.021 1
1 575 . 8 1 1 A 53 53 VAL HA H 53 3.711 3.775 -0.064 1
1 583 . 8 1 1 A 53 53 VAL C C 53 177.648 178.296 -0.648 1
1 584 . 8 1 1 A 53 53 VAL CA C 53 66.531 66.450 0.081 1
1 585 . 8 1 1 A 53 53 VAL CB C 53 31.936 31.606 0.330 1
1 588 . 8 1 1 A 53 53 VAL N N 53 119.305 119.386 -0.081 1
1 589 . 8 1 1 A 54 54 TRP H H 54 8.127 7.932 0.195 1
1 590 . 8 1 1 A 54 54 TRP HA H 54 4.016 4.340 -0.324 1
1 599 . 8 1 1 A 54 54 TRP C C 54 180.100 178.314 1.786 1
1 600 . 8 1 1 A 54 54 TRP CA C 54 63.534 61.390 2.144 1
1 601 . 8 1 1 A 54 54 TRP CB C 54 28.747 29.587 -0.840 1
1 607 . 8 1 1 A 54 54 TRP N N 54 122.197 121.678 0.519 1
1 609 . 8 1 1 A 55 55 PHE H H 55 8.964 8.705 0.259 1
1 610 . 8 1 1 A 55 55 PHE HA H 55 3.843 4.505 -0.662 1
1 618 . 8 1 1 A 55 55 PHE C C 55 178.158 178.440 -0.282 1
1 619 . 8 1 1 A 55 55 PHE CA C 55 63.309 62.632 0.677 1
1 620 . 8 1 1 A 55 55 PHE CB C 55 39.818 39.086 0.732 1
1 626 . 8 1 1 A 55 55 PHE N N 55 119.663 118.669 0.994 1
1 627 . 8 1 1 A 56 56 GLN H H 56 8.412 8.826 -0.414 1
1 628 . 8 1 1 A 56 56 GLN HA H 56 3.984 4.035 -0.051 1
1 635 . 8 1 1 A 56 56 GLN C C 56 179.420 179.218 0.202 1
1 636 . 8 1 1 A 56 56 GLN CA C 56 59.678 59.257 0.421 1
1 637 . 8 1 1 A 56 56 GLN CB C 56 27.981 28.386 -0.405 1
1 639 . 8 1 1 A 56 56 GLN N N 56 118.932 118.035 0.897 1
1 641 . 8 1 1 A 57 57 ASN H H 57 8.358 7.932 0.426 1
1 642 . 8 1 1 A 57 57 ASN HA H 57 4.302 4.489 -0.187 1
1 647 . 8 1 1 A 57 57 ASN C C 57 177.308 177.567 -0.259 1
1 648 . 8 1 1 A 57 57 ASN CA C 57 55.836 56.142 -0.306 1
1 649 . 8 1 1 A 57 57 ASN CB C 57 38.123 38.477 -0.354 1
1 650 . 8 1 1 A 57 57 ASN N N 57 118.552 118.468 0.084 1
1 652 . 8 1 1 A 58 58 ALA H H 58 8.097 7.703 0.394 1
1 653 . 8 1 1 A 58 58 ALA HA H 58 3.280 3.517 -0.237 1
1 657 . 8 1 1 A 58 58 ALA C C 58 180.512 180.070 0.442 1
1 658 . 8 1 1 A 58 58 ALA CA C 58 54.711 54.648 0.063 1
1 659 . 8 1 1 A 58 58 ALA CB C 58 16.685 17.444 -0.759 1
1 660 . 8 1 1 A 58 58 ALA N N 58 125.426 122.104 3.322 1
1 661 . 8 1 1 A 59 59 ARG H H 59 8.104 7.606 0.498 1
1 662 . 8 1 1 A 59 59 ARG HA H 59 4.159 4.345 -0.186 1
1 669 . 8 1 1 A 59 59 ARG C C 59 178.570 179.065 -0.495 1
1 670 . 8 1 1 A 59 59 ARG CA C 59 59.916 59.882 0.034 1
1 671 . 8 1 1 A 59 59 ARG CB C 59 31.344 30.141 1.203 1
1 674 . 8 1 1 A 59 59 ARG N N 59 117.308 117.525 -0.217 1
1 675 . 8 1 1 A 60 60 GLN H H 60 7.532 7.906 -0.374 1
1 676 . 8 1 1 A 60 60 GLN HA H 60 4.118 4.096 0.022 1
1 683 . 8 1 1 A 60 60 GLN C C 60 178.036 178.858 -0.822 1
1 684 . 8 1 1 A 60 60 GLN CA C 60 58.021 58.694 -0.673 1
1 685 . 8 1 1 A 60 60 GLN CB C 60 28.460 28.064 0.396 1
1 687 . 8 1 1 A 60 60 GLN N N 60 118.195 118.656 -0.461 1
1 689 . 8 1 1 A 61 61 LYS H H 61 7.738 7.860 -0.122 1
1 690 . 8 1 1 A 61 61 LYS HA H 61 4.038 3.995 0.043 1
1 699 . 8 1 1 A 61 61 LYS C C 61 177.454 179.172 -1.718 1
1 700 . 8 1 1 A 61 61 LYS CA C 61 57.938 59.301 -1.363 1
1 701 . 8 1 1 A 61 61 LYS CB C 61 32.497 32.169 0.328 1
1 705 . 8 1 1 A 61 61 LYS N N 61 119.476 119.390 0.086 1
1 706 . 8 1 1 A 62 62 ALA H H 62 7.699 7.902 -0.203 1
1 707 . 8 1 1 A 62 62 ALA HA H 62 4.265 4.155 0.110 1
1 711 . 8 1 1 A 62 62 ALA C C 62 177.818 178.489 -0.671 1
1 712 . 8 1 1 A 62 62 ALA CA C 62 52.945 54.953 -2.008 1
1 713 . 8 1 1 A 62 62 ALA CB C 62 18.904 18.362 0.542 1
1 714 . 8 1 1 A 62 62 ALA N N 62 121.322 120.748 0.574 1
1 715 . 8 1 1 A 63 63 ARG H H 63 7.831 7.346 0.485 1
1 716 . 8 1 1 A 63 63 ARG HA H 63 4.237 4.286 -0.049 1
1 722 . 8 1 1 A 63 63 ARG C C 63 176.580 175.854 0.726 1
1 723 . 8 1 1 A 63 63 ARG CA C 63 56.717 56.607 0.110 1
1 724 . 8 1 1 A 63 63 ARG CB C 63 30.124 30.961 -0.837 1
1 727 . 8 1 1 A 63 63 ARG N N 63 118.592 117.749 0.843 1
1 728 . 8 1 1 A 64 64 LYS H H 64 8.213 8.744 -0.531 1
1 729 . 8 1 1 A 64 64 LYS HA H 64 4.365 4.672 -0.307 1
1 738 . 8 1 1 A 64 64 LYS C C 64 176.677 175.387 1.290 1
1 739 . 8 1 1 A 64 64 LYS CA C 64 56.329 56.326 0.003 1
1 740 . 8 1 1 A 64 64 LYS CB C 64 32.906 33.342 -0.436 1
1 744 . 8 1 1 A 64 64 LYS N N 64 121.456 126.201 -4.745 1
1 745 . 8 1 1 A 65 65 SER H H 65 8.289 8.561 -0.272 1
1 746 . 8 1 1 A 65 65 SER HA H 65 4.510 5.095 -0.585 1
1 749 . 8 1 1 A 65 65 SER C C 65 174.492 172.967 1.525 1
1 750 . 8 1 1 A 65 65 SER CA C 65 58.303 57.680 0.623 1
1 751 . 8 1 1 A 65 65 SER CB C 65 64.052 67.551 -3.499 1
1 752 . 8 1 1 A 65 65 SER N N 65 116.719 120.126 -3.407 1
1 753 . 8 1 1 A 66 66 GLY H H 66 8.242 8.524 -0.282 1
1 754 . 8 1 1 A 66 66 GLY HA2 H 66 4.120 4.199 -0.079 1
1 755 . 8 1 1 A 66 66 GLY HA3 H 66 4.148 4.199 -0.051 1
1 756 . 8 1 1 A 66 66 GLY C C 66 171.798 173.958 -2.160 1
1 757 . 8 1 1 A 66 66 GLY CA C 66 44.687 44.483 0.204 1
1 758 . 8 1 1 A 66 66 GLY N N 66 110.632 110.224 0.408 1
1 759 . 8 1 1 A 67 67 PRO HA H 67 4.458 4.556 -0.098 1
1 766 . 8 1 1 A 67 67 PRO C C 67 177.429 176.647 0.782 1
1 767 . 8 1 1 A 67 67 PRO CA C 67 63.309 63.503 -0.194 1
1 768 . 8 1 1 A 67 67 PRO CB C 67 32.200 31.962 0.238 1
1 771 . 8 1 1 A 68 68 SER H H 68 8.535 7.793 0.742 1
1 772 . 8 1 1 A 68 68 SER HA H 68 4.482 4.284 0.198 1
1 775 . 8 1 1 A 68 68 SER C C 68 174.638 173.554 1.084 1
1 776 . 8 1 1 A 68 68 SER CA C 68 58.444 58.583 -0.139 1
1 777 . 8 1 1 A 68 68 SER CB C 68 63.838 63.120 0.718 1
1 778 . 8 1 1 A 68 68 SER N N 68 116.359 115.809 0.550 1
1 779 . 8 1 1 A 69 69 SER H H 69 8.300 8.613 -0.313 1
1 780 . 8 1 1 A 69 69 SER HA H 69 4.477 4.991 -0.514 1
1 783 . 8 1 1 A 69 69 SER C C 69 173.934 174.931 -0.997 1
1 784 . 8 1 1 A 69 69 SER CA C 69 58.374 57.520 0.854 1
1 785 . 8 1 1 A 69 69 SER CB C 69 64.134 64.333 -0.199 1
1 786 . 8 1 1 A 69 69 SER N N 69 117.715 124.642 -6.927 1
1 1 . 9 1 1 A 10 10 SER HA H 10 4.461 4.896 -0.435 1
1 4 . 9 1 1 A 10 10 SER C C 10 174.492 173.419 1.073 1
1 5 . 9 1 1 A 10 10 SER CA C 10 58.479 57.534 0.945 1
1 6 . 9 1 1 A 10 10 SER CB C 10 63.932 64.674 -0.742 1
1 7 . 9 1 1 A 11 11 ARG H H 11 8.318 9.010 -0.692 1
1 8 . 9 1 1 A 11 11 ARG HA H 11 4.391 4.461 -0.070 1
1 15 . 9 1 1 A 11 11 ARG C C 11 176.264 175.588 0.676 1
1 16 . 9 1 1 A 11 11 ARG CA C 11 56.118 57.388 -1.270 1
1 17 . 9 1 1 A 11 11 ARG CB C 11 30.849 32.539 -1.690 1
1 20 . 9 1 1 A 11 11 ARG N N 11 122.795 126.923 -4.128 1
1 21 . 9 1 1 A 12 12 THR H H 12 8.159 8.019 0.140 1
1 22 . 9 1 1 A 12 12 THR HA H 12 4.150 4.436 -0.286 1
1 27 . 9 1 1 A 12 12 THR C C 12 173.740 172.879 0.861 1
1 28 . 9 1 1 A 12 12 THR CA C 12 62.463 61.031 1.432 1
1 29 . 9 1 1 A 12 12 THR CB C 12 69.770 69.083 0.687 1
1 31 . 9 1 1 A 12 12 THR N N 12 117.261 113.163 4.098 1
1 32 . 9 1 1 A 13 13 ARG H H 13 8.319 8.650 -0.331 1
1 33 . 9 1 1 A 13 13 ARG HA H 13 4.332 4.428 -0.096 1
1 40 . 9 1 1 A 13 13 ARG C C 13 175.560 175.527 0.033 1
1 41 . 9 1 1 A 13 13 ARG CA C 13 55.518 55.882 -0.364 1
1 42 . 9 1 1 A 13 13 ARG CB C 13 30.763 30.622 0.141 1
1 45 . 9 1 1 A 13 13 ARG N N 13 125.163 127.929 -2.766 1
1 46 . 9 1 1 A 14 14 PHE H H 14 8.195 8.831 -0.636 1
1 47 . 9 1 1 A 14 14 PHE HA H 14 4.952 4.789 0.163 1
1 55 . 9 1 1 A 14 14 PHE C C 14 176.993 175.063 1.930 1
1 56 . 9 1 1 A 14 14 PHE CA C 14 56.859 57.509 -0.650 1
1 57 . 9 1 1 A 14 14 PHE CB C 14 41.107 40.747 0.360 1
1 63 . 9 1 1 A 14 14 PHE N N 14 121.558 126.758 -5.200 1
1 64 . 9 1 1 A 15 15 THR H H 15 8.999 8.490 0.509 1
1 65 . 9 1 1 A 15 15 THR HA H 15 4.491 4.867 -0.376 1
1 70 . 9 1 1 A 15 15 THR C C 15 174.856 175.264 -0.408 1
1 71 . 9 1 1 A 15 15 THR CA C 15 60.559 59.782 0.777 1
1 72 . 9 1 1 A 15 15 THR CB C 15 70.890 71.084 -0.194 1
1 74 . 9 1 1 A 15 15 THR N N 15 113.369 115.394 -2.025 1
1 75 . 9 1 1 A 16 16 ASP H H 16 8.906 9.318 -0.412 1
1 76 . 9 1 1 A 16 16 ASP HA H 16 4.333 4.282 0.051 1
1 79 . 9 1 1 A 16 16 ASP C C 16 178.764 177.917 0.847 1
1 80 . 9 1 1 A 16 16 ASP CA C 16 57.911 58.222 -0.311 1
1 81 . 9 1 1 A 16 16 ASP CB C 16 39.994 40.464 -0.470 1
1 82 . 9 1 1 A 16 16 ASP N N 16 120.884 127.173 -6.289 1
1 83 . 9 1 1 A 17 17 TYR H H 17 8.356 8.154 0.202 1
1 84 . 9 1 1 A 17 17 TYR HA H 17 4.211 4.105 0.106 1
1 91 . 9 1 1 A 17 17 TYR C C 17 176.264 177.951 -1.687 1
1 92 . 9 1 1 A 17 17 TYR CA C 17 61.045 61.751 -0.706 1
1 93 . 9 1 1 A 17 17 TYR CB C 17 38.666 38.682 -0.016 1
1 98 . 9 1 1 A 17 17 TYR N N 17 119.909 122.113 -2.204 1
1 99 . 9 1 1 A 18 18 GLN H H 18 7.582 8.311 -0.729 1
1 100 . 9 1 1 A 18 18 GLN HA H 18 3.482 3.599 -0.117 1
1 107 . 9 1 1 A 18 18 GLN C C 18 177.502 178.550 -1.048 1
1 108 . 9 1 1 A 18 18 GLN CA C 18 58.726 58.685 0.041 1
1 109 . 9 1 1 A 18 18 GLN CB C 18 27.717 28.495 -0.778 1
1 111 . 9 1 1 A 18 18 GLN N N 18 116.647 118.514 -1.867 1
1 113 . 9 1 1 A 19 19 LEU H H 19 8.170 8.566 -0.396 1
1 114 . 9 1 1 A 19 19 LEU HA H 19 3.508 3.653 -0.145 1
1 124 . 9 1 1 A 19 19 LEU C C 19 178.546 179.184 -0.638 1
1 125 . 9 1 1 A 19 19 LEU CA C 19 57.625 57.787 -0.162 1
1 126 . 9 1 1 A 19 19 LEU CB C 19 41.812 41.072 0.740 1
1 130 . 9 1 1 A 19 19 LEU N N 19 115.406 119.883 -4.477 1
1 131 . 9 1 1 A 20 20 ARG H H 20 7.792 8.200 -0.408 1
1 132 . 9 1 1 A 20 20 ARG HA H 20 3.917 3.937 -0.020 1
1 138 . 9 1 1 A 20 20 ARG C C 20 178.036 178.767 -0.731 1
1 139 . 9 1 1 A 20 20 ARG CA C 20 59.026 59.126 -0.100 1
1 140 . 9 1 1 A 20 20 ARG CB C 20 29.861 29.976 -0.115 1
1 143 . 9 1 1 A 20 20 ARG N N 20 120.360 120.434 -0.074 1
1 144 . 9 1 1 A 21 21 VAL H H 21 7.601 7.389 0.212 1
1 145 . 9 1 1 A 21 21 VAL HA H 21 3.533 3.588 -0.055 1
1 153 . 9 1 1 A 21 21 VAL C C 21 179.541 178.310 1.231 1
1 154 . 9 1 1 A 21 21 VAL CA C 21 66.327 66.172 0.155 1
1 155 . 9 1 1 A 21 21 VAL CB C 21 31.509 31.411 0.098 1
1 158 . 9 1 1 A 21 21 VAL N N 21 119.151 118.973 0.178 1
1 159 . 9 1 1 A 22 22 LEU H H 22 7.898 8.208 -0.310 1
1 160 . 9 1 1 A 22 22 LEU HA H 22 3.513 3.839 -0.326 1
1 170 . 9 1 1 A 22 22 LEU C C 22 177.527 178.979 -1.452 1
1 171 . 9 1 1 A 22 22 LEU CA C 22 58.181 58.010 0.171 1
1 172 . 9 1 1 A 22 22 LEU CB C 22 38.573 40.487 -1.914 1
1 176 . 9 1 1 A 22 22 LEU N N 22 119.825 119.917 -0.092 1
1 177 . 9 1 1 A 23 23 GLN H H 23 8.171 8.310 -0.139 1
1 178 . 9 1 1 A 23 23 GLN HA H 23 3.925 3.973 -0.048 1
1 185 . 9 1 1 A 23 23 GLN C C 23 178.061 177.501 0.560 1
1 186 . 9 1 1 A 23 23 GLN CA C 23 58.832 59.034 -0.202 1
1 187 . 9 1 1 A 23 23 GLN CB C 23 28.769 28.517 0.252 1
1 189 . 9 1 1 A 23 23 GLN N N 23 118.186 118.069 0.117 1
1 191 . 9 1 1 A 24 24 ASP H H 24 8.446 8.069 0.377 1
1 192 . 9 1 1 A 24 24 ASP HA H 24 4.373 4.420 -0.047 1
1 195 . 9 1 1 A 24 24 ASP C C 24 179.347 178.602 0.745 1
1 196 . 9 1 1 A 24 24 ASP CA C 24 57.294 57.240 0.054 1
1 197 . 9 1 1 A 24 24 ASP CB C 24 40.035 41.001 -0.966 1
1 198 . 9 1 1 A 24 24 ASP N N 24 118.634 119.521 -0.887 1
1 199 . 9 1 1 A 25 25 PHE H H 25 8.224 8.256 -0.032 1
1 200 . 9 1 1 A 25 25 PHE HA H 25 4.062 4.256 -0.194 1
1 208 . 9 1 1 A 25 25 PHE C C 25 177.891 177.592 0.299 1
1 209 . 9 1 1 A 25 25 PHE CA C 25 61.546 60.828 0.718 1
1 210 . 9 1 1 A 25 25 PHE CB C 25 39.246 39.189 0.057 1
1 216 . 9 1 1 A 25 25 PHE N N 25 121.633 119.855 1.778 1
1 217 . 9 1 1 A 26 26 PHE H H 26 9.167 8.131 1.036 1
1 218 . 9 1 1 A 26 26 PHE HA H 26 4.302 4.563 -0.261 1
1 226 . 9 1 1 A 26 26 PHE C C 26 176.531 176.934 -0.403 1
1 227 . 9 1 1 A 26 26 PHE CA C 26 61.476 61.361 0.115 1
1 228 . 9 1 1 A 26 26 PHE CB C 26 39.471 38.853 0.618 1
1 234 . 9 1 1 A 26 26 PHE N N 26 121.265 119.991 1.274 1
1 235 . 9 1 1 A 27 27 ASP H H 27 8.654 8.415 0.239 1
1 236 . 9 1 1 A 27 27 ASP HA H 27 4.238 4.511 -0.273 1
1 239 . 9 1 1 A 27 27 ASP C C 27 177.429 177.405 0.024 1
1 240 . 9 1 1 A 27 27 ASP CA C 27 56.717 57.336 -0.619 1
1 241 . 9 1 1 A 27 27 ASP CB C 27 40.406 41.715 -1.309 1
1 242 . 9 1 1 A 27 27 ASP N N 27 116.555 119.442 -2.887 1
1 243 . 9 1 1 A 28 28 ALA H H 28 7.262 7.750 -0.488 1
1 244 . 9 1 1 A 28 28 ALA HA H 28 4.316 4.285 0.031 1
1 248 . 9 1 1 A 28 28 ALA C C 28 177.891 177.392 0.499 1
1 249 . 9 1 1 A 28 28 ALA CA C 28 52.839 53.383 -0.544 1
1 250 . 9 1 1 A 28 28 ALA CB C 28 19.698 20.024 -0.326 1
1 251 . 9 1 1 A 28 28 ALA N N 28 120.441 119.406 1.035 1
1 252 . 9 1 1 A 29 29 ASN H H 29 8.346 8.288 0.058 1
1 253 . 9 1 1 A 29 29 ASN HA H 29 4.432 4.850 -0.418 1
1 258 . 9 1 1 A 29 29 ASN C C 29 172.259 174.316 -2.057 1
1 259 . 9 1 1 A 29 29 ASN CA C 29 52.943 52.375 0.568 1
1 260 . 9 1 1 A 29 29 ASN CB C 29 38.435 41.228 -2.793 1
1 261 . 9 1 1 A 29 29 ASN N N 29 118.701 114.660 4.041 1
1 263 . 9 1 1 A 30 30 ALA H H 30 8.177 8.132 0.045 1
1 264 . 9 1 1 A 30 30 ALA HA H 30 4.010 4.667 -0.657 1
1 268 . 9 1 1 A 30 30 ALA C C 30 176.798 176.658 0.140 1
1 269 . 9 1 1 A 30 30 ALA CA C 30 52.980 50.803 2.177 1
1 270 . 9 1 1 A 30 30 ALA CB C 30 19.233 19.286 -0.053 1
1 271 . 9 1 1 A 30 30 ALA N N 30 124.112 128.045 -3.933 1
1 272 . 9 1 1 A 31 31 TYR H H 31 7.984 7.545 0.439 1
1 273 . 9 1 1 A 31 31 TYR HA H 31 4.672 5.150 -0.478 1
1 280 . 9 1 1 A 31 31 TYR C C 31 172.283 173.137 -0.854 1
1 281 . 9 1 1 A 31 31 TYR CA C 31 55.483 55.527 -0.044 1
1 282 . 9 1 1 A 31 31 TYR CB C 31 39.058 38.325 0.733 1
1 287 . 9 1 1 A 31 31 TYR N N 31 115.568 117.719 -2.151 1
1 288 . 9 1 1 A 32 32 PRO HA H 32 4.249 4.744 -0.495 1
1 295 . 9 1 1 A 32 32 PRO C C 32 176.871 176.637 0.234 1
1 296 . 9 1 1 A 32 32 PRO CA C 32 62.710 62.872 -0.162 1
1 297 . 9 1 1 A 32 32 PRO CB C 32 29.959 32.597 -2.638 1
1 300 . 9 1 1 A 33 33 LYS H H 33 9.168 8.743 0.425 1
1 301 . 9 1 1 A 33 33 LYS HA H 33 4.426 4.810 -0.384 1
1 310 . 9 1 1 A 33 33 LYS C C 33 178.061 177.662 0.399 1
1 311 . 9 1 1 A 33 33 LYS CA C 33 55.236 55.057 0.179 1
1 312 . 9 1 1 A 33 33 LYS CB C 33 33.980 33.953 0.027 1
1 316 . 9 1 1 A 33 33 LYS N N 33 121.451 121.416 0.035 1
1 317 . 9 1 1 A 34 34 ASP H H 34 9.017 9.100 -0.083 1
1 318 . 9 1 1 A 34 34 ASP HA H 34 4.566 4.380 0.186 1
1 321 . 9 1 1 A 34 34 ASP C C 34 179.007 177.944 1.063 1
1 322 . 9 1 1 A 34 34 ASP CA C 34 58.973 57.143 1.830 1
1 323 . 9 1 1 A 34 34 ASP CB C 34 39.834 40.108 -0.274 1
1 324 . 9 1 1 A 34 34 ASP N N 34 122.268 121.710 0.558 1
1 325 . 9 1 1 A 35 35 ASP H H 35 8.955 8.306 0.649 1
1 326 . 9 1 1 A 35 35 ASP HA H 35 4.408 4.344 0.064 1
1 329 . 9 1 1 A 35 35 ASP C C 35 178.837 178.670 0.167 1
1 330 . 9 1 1 A 35 35 ASP CA C 35 56.611 58.014 -1.403 1
1 331 . 9 1 1 A 35 35 ASP CB C 35 39.609 41.968 -2.359 1
1 332 . 9 1 1 A 35 35 ASP N N 35 116.861 119.616 -2.755 1
1 333 . 9 1 1 A 36 36 GLU H H 36 7.208 7.930 -0.722 1
1 334 . 9 1 1 A 36 36 GLU HA H 36 4.051 4.032 0.019 1
1 339 . 9 1 1 A 36 36 GLU C C 36 179.226 179.133 0.093 1
1 340 . 9 1 1 A 36 36 GLU CA C 36 58.761 59.083 -0.322 1
1 341 . 9 1 1 A 36 36 GLU CB C 36 29.689 29.419 0.270 1
1 343 . 9 1 1 A 36 36 GLU N N 36 121.585 118.811 2.774 1
1 344 . 9 1 1 A 37 37 PHE H H 37 7.997 8.496 -0.499 1
1 345 . 9 1 1 A 37 37 PHE HA H 37 4.164 3.986 0.178 1
1 353 . 9 1 1 A 37 37 PHE C C 37 178.400 178.171 0.229 1
1 354 . 9 1 1 A 37 37 PHE CA C 37 61.915 61.332 0.583 1
1 355 . 9 1 1 A 37 37 PHE CB C 37 38.320 38.178 0.142 1
1 361 . 9 1 1 A 37 37 PHE N N 37 118.258 119.117 -0.859 1
1 362 . 9 1 1 A 38 38 GLU H H 38 7.806 8.228 -0.422 1
1 363 . 9 1 1 A 38 38 GLU HA H 38 4.027 3.975 0.052 1
1 368 . 9 1 1 A 38 38 GLU C C 38 178.764 179.258 -0.494 1
1 369 . 9 1 1 A 38 38 GLU CA C 38 59.325 60.029 -0.704 1
1 370 . 9 1 1 A 38 38 GLU CB C 38 29.083 29.320 -0.237 1
1 372 . 9 1 1 A 38 38 GLU N N 38 118.433 119.048 -0.615 1
1 373 . 9 1 1 A 39 39 GLN H H 39 7.845 8.213 -0.368 1
1 374 . 9 1 1 A 39 39 GLN HA H 39 4.149 3.885 0.264 1
1 381 . 9 1 1 A 39 39 GLN C C 39 179.541 178.808 0.733 1
1 382 . 9 1 1 A 39 39 GLN CA C 39 59.184 59.175 0.009 1
1 383 . 9 1 1 A 39 39 GLN CB C 39 28.097 28.136 -0.039 1
1 385 . 9 1 1 A 39 39 GLN N N 39 119.859 118.744 1.115 1
1 387 . 9 1 1 A 40 40 LEU H H 40 8.130 7.462 0.668 1
1 388 . 9 1 1 A 40 40 LEU HA H 40 3.938 4.028 -0.090 1
1 398 . 9 1 1 A 40 40 LEU C C 40 178.158 179.163 -1.005 1
1 399 . 9 1 1 A 40 40 LEU CA C 40 58.092 57.592 0.500 1
1 400 . 9 1 1 A 40 40 LEU CB C 40 43.194 41.189 2.005 1
1 404 . 9 1 1 A 40 40 LEU N N 40 120.785 119.630 1.155 1
1 405 . 9 1 1 A 41 41 SER H H 41 8.241 8.418 -0.177 1
1 406 . 9 1 1 A 41 41 SER HA H 41 4.251 4.162 0.089 1
1 409 . 9 1 1 A 41 41 SER C C 41 177.891 177.109 0.782 1
1 410 . 9 1 1 A 41 41 SER CA C 41 61.194 61.504 -0.310 1
1 411 . 9 1 1 A 41 41 SER CB C 41 63.501 62.431 1.070 1
1 412 . 9 1 1 A 41 41 SER N N 41 114.804 113.559 1.245 1
1 413 . 9 1 1 A 42 42 ASN H H 42 7.969 7.977 -0.008 1
1 414 . 9 1 1 A 42 42 ASN HA H 42 4.515 4.605 -0.090 1
1 419 . 9 1 1 A 42 42 ASN C C 42 177.381 177.786 -0.405 1
1 420 . 9 1 1 A 42 42 ASN CA C 42 55.871 56.190 -0.319 1
1 421 . 9 1 1 A 42 42 ASN CB C 42 38.920 38.709 0.211 1
1 422 . 9 1 1 A 42 42 ASN N N 42 118.051 120.892 -2.841 1
1 424 . 9 1 1 A 43 43 LEU H H 43 8.169 7.611 0.558 1
1 425 . 9 1 1 A 43 43 LEU HA H 43 4.189 4.096 0.093 1
1 435 . 9 1 1 A 43 43 LEU C C 43 178.837 178.784 0.053 1
1 436 . 9 1 1 A 43 43 LEU CA C 43 57.845 58.170 -0.325 1
1 437 . 9 1 1 A 43 43 LEU CB C 43 43.382 42.124 1.258 1
1 441 . 9 1 1 A 43 43 LEU N N 43 120.419 121.617 -1.198 1
1 442 . 9 1 1 A 44 44 LEU H H 44 8.185 7.981 0.204 1
1 443 . 9 1 1 A 44 44 LEU HA H 44 4.445 4.141 0.304 1
1 453 . 9 1 1 A 44 44 LEU C C 44 176.677 176.422 0.255 1
1 454 . 9 1 1 A 44 44 LEU CA C 44 54.397 55.036 -0.639 1
1 455 . 9 1 1 A 44 44 LEU CB C 44 43.111 42.093 1.018 1
1 459 . 9 1 1 A 44 44 LEU N N 44 113.030 118.197 -5.167 1
1 460 . 9 1 1 A 45 45 ASN H H 45 8.100 8.228 -0.128 1
1 461 . 9 1 1 A 45 45 ASN HA H 45 4.440 4.469 -0.029 1
1 466 . 9 1 1 A 45 45 ASN C C 45 174.395 173.822 0.573 1
1 467 . 9 1 1 A 45 45 ASN CA C 45 54.073 54.433 -0.360 1
1 468 . 9 1 1 A 45 45 ASN CB C 45 36.970 37.611 -0.641 1
1 469 . 9 1 1 A 45 45 ASN N N 45 117.438 117.829 -0.391 1
1 471 . 9 1 1 A 46 46 LEU H H 46 7.476 7.352 0.124 1
1 472 . 9 1 1 A 46 46 LEU HA H 46 4.980 4.819 0.161 1
1 482 . 9 1 1 A 46 46 LEU C C 46 173.691 174.686 -0.995 1
1 483 . 9 1 1 A 46 46 LEU CA C 46 51.032 51.741 -0.709 1
1 484 . 9 1 1 A 46 46 LEU CB C 46 46.668 43.650 3.018 1
1 488 . 9 1 1 A 46 46 LEU N N 46 117.604 119.621 -2.017 1
1 489 . 9 1 1 A 47 47 PRO HA H 47 4.515 4.686 -0.171 1
1 496 . 9 1 1 A 47 47 PRO C C 47 177.915 177.610 0.305 1
1 497 . 9 1 1 A 47 47 PRO CA C 47 62.392 62.861 -0.469 1
1 498 . 9 1 1 A 47 47 PRO CB C 47 32.592 31.799 0.793 1
1 501 . 9 1 1 A 48 48 THR H H 48 8.818 8.677 0.141 1
1 502 . 9 1 1 A 48 48 THR HA H 48 3.590 3.996 -0.406 1
1 507 . 9 1 1 A 48 48 THR C C 48 176.628 175.916 0.712 1
1 508 . 9 1 1 A 48 48 THR CA C 48 67.384 65.499 1.885 1
1 509 . 9 1 1 A 48 48 THR CB C 48 67.996 68.471 -0.475 1
1 511 . 9 1 1 A 48 48 THR N N 48 120.240 118.756 1.484 1
1 512 . 9 1 1 A 49 49 ARG H H 49 8.750 8.258 0.492 1
1 513 . 9 1 1 A 49 49 ARG HA H 49 3.899 4.070 -0.171 1
1 520 . 9 1 1 A 49 49 ARG C C 49 178.012 178.396 -0.384 1
1 521 . 9 1 1 A 49 49 ARG CA C 49 59.079 58.592 0.487 1
1 522 . 9 1 1 A 49 49 ARG CB C 49 29.474 30.191 -0.717 1
1 525 . 9 1 1 A 49 49 ARG N N 49 117.541 120.968 -3.427 1
1 526 . 9 1 1 A 50 50 VAL H H 50 6.994 8.095 -1.101 1
1 527 . 9 1 1 A 50 50 VAL HA H 50 3.885 3.760 0.125 1
1 535 . 9 1 1 A 50 50 VAL C C 50 178.400 178.315 0.085 1
1 536 . 9 1 1 A 50 50 VAL CA C 50 65.099 66.306 -1.207 1
1 537 . 9 1 1 A 50 50 VAL CB C 50 31.909 31.712 0.197 1
1 540 . 9 1 1 A 50 50 VAL N N 50 115.765 120.356 -4.591 1
1 541 . 9 1 1 A 51 51 ILE H H 51 7.358 8.094 -0.736 1
1 542 . 9 1 1 A 51 51 ILE HA H 51 3.814 3.833 -0.019 1
1 552 . 9 1 1 A 51 51 ILE C C 51 177.648 178.985 -1.337 1
1 553 . 9 1 1 A 51 51 ILE CA C 51 65.318 64.236 1.082 1
1 554 . 9 1 1 A 51 51 ILE CB C 51 38.017 36.477 1.540 1
1 558 . 9 1 1 A 51 51 ILE N N 51 122.170 120.164 2.006 1
1 559 . 9 1 1 A 52 52 VAL H H 52 8.401 8.590 -0.189 1
1 560 . 9 1 1 A 52 52 VAL HA H 52 3.290 3.689 -0.399 1
1 568 . 9 1 1 A 52 52 VAL C C 52 179.177 178.117 1.060 1
1 569 . 9 1 1 A 52 52 VAL CA C 52 67.021 66.891 0.130 1
1 570 . 9 1 1 A 52 52 VAL CB C 52 31.583 31.665 -0.082 1
1 573 . 9 1 1 A 52 52 VAL N N 52 121.321 121.820 -0.499 1
1 574 . 9 1 1 A 53 53 VAL H H 53 7.691 7.683 0.008 1
1 575 . 9 1 1 A 53 53 VAL HA H 53 3.711 3.757 -0.046 1
1 583 . 9 1 1 A 53 53 VAL C C 53 177.648 178.263 -0.615 1
1 584 . 9 1 1 A 53 53 VAL CA C 53 66.531 66.450 0.081 1
1 585 . 9 1 1 A 53 53 VAL CB C 53 31.936 31.612 0.324 1
1 588 . 9 1 1 A 53 53 VAL N N 53 119.305 119.417 -0.112 1
1 589 . 9 1 1 A 54 54 TRP H H 54 8.127 7.970 0.157 1
1 590 . 9 1 1 A 54 54 TRP HA H 54 4.016 4.303 -0.287 1
1 599 . 9 1 1 A 54 54 TRP C C 54 180.100 178.408 1.692 1
1 600 . 9 1 1 A 54 54 TRP CA C 54 63.534 61.315 2.219 1
1 601 . 9 1 1 A 54 54 TRP CB C 54 28.747 29.510 -0.763 1
1 607 . 9 1 1 A 54 54 TRP N N 54 122.197 121.674 0.523 1
1 609 . 9 1 1 A 55 55 PHE H H 55 8.964 8.657 0.307 1
1 610 . 9 1 1 A 55 55 PHE HA H 55 3.843 4.465 -0.622 1
1 618 . 9 1 1 A 55 55 PHE C C 55 178.158 178.464 -0.306 1
1 619 . 9 1 1 A 55 55 PHE CA C 55 63.309 62.529 0.780 1
1 620 . 9 1 1 A 55 55 PHE CB C 55 39.818 38.958 0.860 1
1 626 . 9 1 1 A 55 55 PHE N N 55 119.663 118.730 0.933 1
1 627 . 9 1 1 A 56 56 GLN H H 56 8.412 8.835 -0.423 1
1 628 . 9 1 1 A 56 56 GLN HA H 56 3.984 4.022 -0.038 1
1 635 . 9 1 1 A 56 56 GLN C C 56 179.420 179.280 0.140 1
1 636 . 9 1 1 A 56 56 GLN CA C 56 59.678 59.266 0.412 1
1 637 . 9 1 1 A 56 56 GLN CB C 56 27.981 28.284 -0.303 1
1 639 . 9 1 1 A 56 56 GLN N N 56 118.932 117.702 1.230 1
1 641 . 9 1 1 A 57 57 ASN H H 57 8.358 7.820 0.538 1
1 642 . 9 1 1 A 57 57 ASN HA H 57 4.302 4.484 -0.182 1
1 647 . 9 1 1 A 57 57 ASN C C 57 177.308 177.579 -0.271 1
1 648 . 9 1 1 A 57 57 ASN CA C 57 55.836 56.098 -0.262 1
1 649 . 9 1 1 A 57 57 ASN CB C 57 38.123 38.437 -0.314 1
1 650 . 9 1 1 A 57 57 ASN N N 57 118.552 118.433 0.119 1
1 652 . 9 1 1 A 58 58 ALA H H 58 8.097 7.796 0.301 1
1 653 . 9 1 1 A 58 58 ALA HA H 58 3.280 3.446 -0.166 1
1 657 . 9 1 1 A 58 58 ALA C C 58 180.512 179.719 0.793 1
1 658 . 9 1 1 A 58 58 ALA CA C 58 54.711 54.484 0.227 1
1 659 . 9 1 1 A 58 58 ALA CB C 58 16.685 17.199 -0.514 1
1 660 . 9 1 1 A 58 58 ALA N N 58 125.426 121.839 3.587 1
1 661 . 9 1 1 A 59 59 ARG H H 59 8.104 7.544 0.560 1
1 662 . 9 1 1 A 59 59 ARG HA H 59 4.159 4.417 -0.258 1
1 669 . 9 1 1 A 59 59 ARG C C 59 178.570 179.060 -0.490 1
1 670 . 9 1 1 A 59 59 ARG CA C 59 59.916 59.639 0.277 1
1 671 . 9 1 1 A 59 59 ARG CB C 59 31.344 30.366 0.978 1
1 674 . 9 1 1 A 59 59 ARG N N 59 117.308 117.784 -0.476 1
1 675 . 9 1 1 A 60 60 GLN H H 60 7.532 8.193 -0.661 1
1 676 . 9 1 1 A 60 60 GLN HA H 60 4.118 4.071 0.047 1
1 683 . 9 1 1 A 60 60 GLN C C 60 178.036 177.436 0.600 1
1 684 . 9 1 1 A 60 60 GLN CA C 60 58.021 58.686 -0.665 1
1 685 . 9 1 1 A 60 60 GLN CB C 60 28.460 27.810 0.650 1
1 687 . 9 1 1 A 60 60 GLN N N 60 118.195 118.137 0.058 1
1 689 . 9 1 1 A 61 61 LYS H H 61 7.738 8.220 -0.482 1
1 690 . 9 1 1 A 61 61 LYS HA H 61 4.038 4.026 0.012 1
1 699 . 9 1 1 A 61 61 LYS C C 61 177.454 179.404 -1.950 1
1 700 . 9 1 1 A 61 61 LYS CA C 61 57.938 59.030 -1.092 1
1 701 . 9 1 1 A 61 61 LYS CB C 61 32.497 32.118 0.379 1
1 705 . 9 1 1 A 61 61 LYS N N 61 119.476 118.702 0.774 1
1 706 . 9 1 1 A 62 62 ALA H H 62 7.699 8.129 -0.430 1
1 707 . 9 1 1 A 62 62 ALA HA H 62 4.265 3.961 0.304 1
1 711 . 9 1 1 A 62 62 ALA C C 62 177.818 179.851 -2.033 1
1 712 . 9 1 1 A 62 62 ALA CA C 62 52.945 54.940 -1.995 1
1 713 . 9 1 1 A 62 62 ALA CB C 62 18.904 18.166 0.738 1
1 714 . 9 1 1 A 62 62 ALA N N 62 121.322 121.833 -0.511 1
1 715 . 9 1 1 A 63 63 ARG H H 63 7.831 7.687 0.144 1
1 716 . 9 1 1 A 63 63 ARG HA H 63 4.237 4.142 0.095 1
1 722 . 9 1 1 A 63 63 ARG C C 63 176.580 176.355 0.225 1
1 723 . 9 1 1 A 63 63 ARG CA C 63 56.717 58.955 -2.238 1
1 724 . 9 1 1 A 63 63 ARG CB C 63 30.124 30.211 -0.087 1
1 727 . 9 1 1 A 63 63 ARG N N 63 118.592 114.788 3.804 1
1 728 . 9 1 1 A 64 64 LYS H H 64 8.213 7.266 0.947 1
1 729 . 9 1 1 A 64 64 LYS HA H 64 4.365 4.104 0.261 1
1 738 . 9 1 1 A 64 64 LYS C C 64 176.677 175.609 1.068 1
1 739 . 9 1 1 A 64 64 LYS CA C 64 56.329 57.032 -0.703 1
1 740 . 9 1 1 A 64 64 LYS CB C 64 32.906 32.914 -0.008 1
1 744 . 9 1 1 A 64 64 LYS N N 64 121.456 122.353 -0.897 1
1 745 . 9 1 1 A 65 65 SER H H 65 8.289 8.329 -0.040 1
1 746 . 9 1 1 A 65 65 SER HA H 65 4.510 5.232 -0.722 1
1 749 . 9 1 1 A 65 65 SER C C 65 174.492 173.983 0.509 1
1 750 . 9 1 1 A 65 65 SER CA C 65 58.303 56.962 1.341 1
1 751 . 9 1 1 A 65 65 SER CB C 65 64.052 64.545 -0.493 1
1 752 . 9 1 1 A 65 65 SER N N 65 116.719 117.026 -0.307 1
1 753 . 9 1 1 A 66 66 GLY H H 66 8.242 8.350 -0.108 1
1 754 . 9 1 1 A 66 66 GLY HA2 H 66 4.120 4.077 0.043 1
1 755 . 9 1 1 A 66 66 GLY HA3 H 66 4.148 4.081 0.067 1
1 756 . 9 1 1 A 66 66 GLY C C 66 171.798 173.197 -1.399 1
1 757 . 9 1 1 A 66 66 GLY CA C 66 44.687 46.117 -1.430 1
1 758 . 9 1 1 A 66 66 GLY N N 66 110.632 108.466 2.166 1
1 759 . 9 1 1 A 67 67 PRO HA H 67 4.458 4.641 -0.183 1
1 766 . 9 1 1 A 67 67 PRO C C 67 177.429 176.127 1.302 1
1 767 . 9 1 1 A 67 67 PRO CA C 67 63.309 62.728 0.581 1
1 768 . 9 1 1 A 67 67 PRO CB C 67 32.200 32.111 0.089 1
1 771 . 9 1 1 A 68 68 SER H H 68 8.535 8.273 0.262 1
1 772 . 9 1 1 A 68 68 SER HA H 68 4.482 4.790 -0.308 1
1 775 . 9 1 1 A 68 68 SER C C 68 174.638 172.934 1.704 1
1 776 . 9 1 1 A 68 68 SER CA C 68 58.444 57.297 1.147 1
1 777 . 9 1 1 A 68 68 SER CB C 68 63.838 66.162 -2.324 1
1 778 . 9 1 1 A 68 68 SER N N 68 116.359 114.320 2.039 1
1 779 . 9 1 1 A 69 69 SER H H 69 8.300 8.569 -0.269 1
1 780 . 9 1 1 A 69 69 SER HA H 69 4.477 4.119 0.358 1
1 783 . 9 1 1 A 69 69 SER C C 69 173.934 175.007 -1.073 1
1 784 . 9 1 1 A 69 69 SER CA C 69 58.374 60.489 -2.115 1
1 785 . 9 1 1 A 69 69 SER CB C 69 64.134 62.850 1.284 1
1 786 . 9 1 1 A 69 69 SER N N 69 117.715 117.335 0.380 1
1 1 . 10 1 1 A 10 10 SER HA H 10 4.461 4.544 -0.083 1
1 4 . 10 1 1 A 10 10 SER C C 10 174.492 173.874 0.618 1
1 5 . 10 1 1 A 10 10 SER CA C 10 58.479 57.668 0.811 1
1 6 . 10 1 1 A 10 10 SER CB C 10 63.932 62.922 1.010 1
1 7 . 10 1 1 A 11 11 ARG H H 11 8.318 8.167 0.151 1
1 8 . 10 1 1 A 11 11 ARG HA H 11 4.391 4.548 -0.157 1
1 15 . 10 1 1 A 11 11 ARG C C 11 176.264 175.955 0.309 1
1 16 . 10 1 1 A 11 11 ARG CA C 11 56.118 56.310 -0.192 1
1 17 . 10 1 1 A 11 11 ARG CB C 11 30.849 31.082 -0.233 1
1 20 . 10 1 1 A 11 11 ARG N N 11 122.795 128.081 -5.286 1
1 21 . 10 1 1 A 12 12 THR H H 12 8.159 8.581 -0.422 1
1 22 . 10 1 1 A 12 12 THR HA H 12 4.150 4.695 -0.545 1
1 27 . 10 1 1 A 12 12 THR C C 12 173.740 173.460 0.280 1
1 28 . 10 1 1 A 12 12 THR CA C 12 62.463 61.485 0.978 1
1 29 . 10 1 1 A 12 12 THR CB C 12 69.770 70.310 -0.540 1
1 31 . 10 1 1 A 12 12 THR N N 12 117.261 117.453 -0.192 1
1 32 . 10 1 1 A 13 13 ARG H H 13 8.319 8.872 -0.553 1
1 33 . 10 1 1 A 13 13 ARG HA H 13 4.332 5.081 -0.749 1
1 40 . 10 1 1 A 13 13 ARG C C 13 175.560 175.314 0.246 1
1 41 . 10 1 1 A 13 13 ARG CA C 13 55.518 54.936 0.582 1
1 42 . 10 1 1 A 13 13 ARG CB C 13 30.763 31.593 -0.830 1
1 45 . 10 1 1 A 13 13 ARG N N 13 125.163 125.320 -0.157 1
1 46 . 10 1 1 A 14 14 PHE H H 14 8.195 8.992 -0.797 1
1 47 . 10 1 1 A 14 14 PHE HA H 14 4.952 4.748 0.204 1
1 55 . 10 1 1 A 14 14 PHE C C 14 176.993 175.024 1.969 1
1 56 . 10 1 1 A 14 14 PHE CA C 14 56.859 57.981 -1.122 1
1 57 . 10 1 1 A 14 14 PHE CB C 14 41.107 40.737 0.370 1
1 63 . 10 1 1 A 14 14 PHE N N 14 121.558 124.320 -2.762 1
1 64 . 10 1 1 A 15 15 THR H H 15 8.999 8.263 0.736 1
1 65 . 10 1 1 A 15 15 THR HA H 15 4.491 4.908 -0.417 1
1 70 . 10 1 1 A 15 15 THR C C 15 174.856 175.272 -0.416 1
1 71 . 10 1 1 A 15 15 THR CA C 15 60.559 59.613 0.946 1
1 72 . 10 1 1 A 15 15 THR CB C 15 70.890 70.882 0.008 1
1 74 . 10 1 1 A 15 15 THR N N 15 113.369 114.906 -1.537 1
1 75 . 10 1 1 A 16 16 ASP H H 16 8.906 9.266 -0.360 1
1 76 . 10 1 1 A 16 16 ASP HA H 16 4.333 4.281 0.052 1
1 79 . 10 1 1 A 16 16 ASP C C 16 178.764 177.887 0.877 1
1 80 . 10 1 1 A 16 16 ASP CA C 16 57.911 58.174 -0.263 1
1 81 . 10 1 1 A 16 16 ASP CB C 16 39.994 40.410 -0.416 1
1 82 . 10 1 1 A 16 16 ASP N N 16 120.884 127.457 -6.573 1
1 83 . 10 1 1 A 17 17 TYR H H 17 8.356 8.231 0.125 1
1 84 . 10 1 1 A 17 17 TYR HA H 17 4.211 4.111 0.100 1
1 91 . 10 1 1 A 17 17 TYR C C 17 176.264 178.027 -1.763 1
1 92 . 10 1 1 A 17 17 TYR CA C 17 61.045 61.730 -0.685 1
1 93 . 10 1 1 A 17 17 TYR CB C 17 38.666 38.691 -0.025 1
1 98 . 10 1 1 A 17 17 TYR N N 17 119.909 122.168 -2.259 1
1 99 . 10 1 1 A 18 18 GLN H H 18 7.582 8.309 -0.727 1
1 100 . 10 1 1 A 18 18 GLN HA H 18 3.482 3.614 -0.132 1
1 107 . 10 1 1 A 18 18 GLN C C 18 177.502 178.533 -1.031 1
1 108 . 10 1 1 A 18 18 GLN CA C 18 58.726 58.647 0.079 1
1 109 . 10 1 1 A 18 18 GLN CB C 18 27.717 28.353 -0.636 1
1 111 . 10 1 1 A 18 18 GLN N N 18 116.647 118.916 -2.269 1
1 113 . 10 1 1 A 19 19 LEU H H 19 8.170 8.663 -0.493 1
1 114 . 10 1 1 A 19 19 LEU HA H 19 3.508 3.673 -0.165 1
1 124 . 10 1 1 A 19 19 LEU C C 19 178.546 179.170 -0.624 1
1 125 . 10 1 1 A 19 19 LEU CA C 19 57.625 57.775 -0.150 1
1 126 . 10 1 1 A 19 19 LEU CB C 19 41.812 41.205 0.607 1
1 130 . 10 1 1 A 19 19 LEU N N 19 115.406 119.669 -4.263 1
1 131 . 10 1 1 A 20 20 ARG H H 20 7.792 8.174 -0.382 1
1 132 . 10 1 1 A 20 20 ARG HA H 20 3.917 3.966 -0.049 1
1 138 . 10 1 1 A 20 20 ARG C C 20 178.036 178.724 -0.688 1
1 139 . 10 1 1 A 20 20 ARG CA C 20 59.026 58.979 0.047 1
1 140 . 10 1 1 A 20 20 ARG CB C 20 29.861 29.939 -0.078 1
1 143 . 10 1 1 A 20 20 ARG N N 20 120.360 120.456 -0.096 1
1 144 . 10 1 1 A 21 21 VAL H H 21 7.601 7.402 0.199 1
1 145 . 10 1 1 A 21 21 VAL HA H 21 3.533 3.591 -0.058 1
1 153 . 10 1 1 A 21 21 VAL C C 21 179.541 178.182 1.359 1
1 154 . 10 1 1 A 21 21 VAL CA C 21 66.327 66.164 0.163 1
1 155 . 10 1 1 A 21 21 VAL CB C 21 31.509 31.476 0.033 1
1 158 . 10 1 1 A 21 21 VAL N N 21 119.151 119.124 0.027 1
1 159 . 10 1 1 A 22 22 LEU H H 22 7.898 8.226 -0.328 1
1 160 . 10 1 1 A 22 22 LEU HA H 22 3.513 3.850 -0.337 1
1 170 . 10 1 1 A 22 22 LEU C C 22 177.527 178.943 -1.416 1
1 171 . 10 1 1 A 22 22 LEU CA C 22 58.181 58.022 0.159 1
1 172 . 10 1 1 A 22 22 LEU CB C 22 38.573 40.459 -1.886 1
1 176 . 10 1 1 A 22 22 LEU N N 22 119.825 119.457 0.368 1
1 177 . 10 1 1 A 23 23 GLN H H 23 8.171 8.340 -0.169 1
1 178 . 10 1 1 A 23 23 GLN HA H 23 3.925 3.972 -0.047 1
1 185 . 10 1 1 A 23 23 GLN C C 23 178.061 177.327 0.734 1
1 186 . 10 1 1 A 23 23 GLN CA C 23 58.832 58.926 -0.094 1
1 187 . 10 1 1 A 23 23 GLN CB C 23 28.769 28.500 0.269 1
1 189 . 10 1 1 A 23 23 GLN N N 23 118.186 118.083 0.103 1
1 191 . 10 1 1 A 24 24 ASP H H 24 8.446 8.008 0.438 1
1 192 . 10 1 1 A 24 24 ASP HA H 24 4.373 4.446 -0.073 1
1 195 . 10 1 1 A 24 24 ASP C C 24 179.347 178.679 0.668 1
1 196 . 10 1 1 A 24 24 ASP CA C 24 57.294 57.268 0.026 1
1 197 . 10 1 1 A 24 24 ASP CB C 24 40.035 40.995 -0.960 1
1 198 . 10 1 1 A 24 24 ASP N N 24 118.634 119.597 -0.963 1
1 199 . 10 1 1 A 25 25 PHE H H 25 8.224 8.220 0.004 1
1 200 . 10 1 1 A 25 25 PHE HA H 25 4.062 4.321 -0.259 1
1 208 . 10 1 1 A 25 25 PHE C C 25 177.891 177.656 0.235 1
1 209 . 10 1 1 A 25 25 PHE CA C 25 61.546 60.854 0.692 1
1 210 . 10 1 1 A 25 25 PHE CB C 25 39.246 39.138 0.108 1
1 216 . 10 1 1 A 25 25 PHE N N 25 121.633 119.852 1.781 1
1 217 . 10 1 1 A 26 26 PHE H H 26 9.167 8.214 0.953 1
1 218 . 10 1 1 A 26 26 PHE HA H 26 4.302 4.654 -0.352 1
1 226 . 10 1 1 A 26 26 PHE C C 26 176.531 177.014 -0.483 1
1 227 . 10 1 1 A 26 26 PHE CA C 26 61.476 61.432 0.044 1
1 228 . 10 1 1 A 26 26 PHE CB C 26 39.471 38.908 0.563 1
1 234 . 10 1 1 A 26 26 PHE N N 26 121.265 119.996 1.269 1
1 235 . 10 1 1 A 27 27 ASP H H 27 8.654 8.458 0.196 1
1 236 . 10 1 1 A 27 27 ASP HA H 27 4.238 4.547 -0.309 1
1 239 . 10 1 1 A 27 27 ASP C C 27 177.429 177.386 0.043 1
1 240 . 10 1 1 A 27 27 ASP CA C 27 56.717 57.407 -0.690 1
1 241 . 10 1 1 A 27 27 ASP CB C 27 40.406 41.912 -1.506 1
1 242 . 10 1 1 A 27 27 ASP N N 27 116.555 119.519 -2.964 1
1 243 . 10 1 1 A 28 28 ALA H H 28 7.262 7.794 -0.532 1
1 244 . 10 1 1 A 28 28 ALA HA H 28 4.316 4.320 -0.004 1
1 248 . 10 1 1 A 28 28 ALA C C 28 177.891 177.507 0.384 1
1 249 . 10 1 1 A 28 28 ALA CA C 28 52.839 53.468 -0.629 1
1 250 . 10 1 1 A 28 28 ALA CB C 28 19.698 20.086 -0.388 1
1 251 . 10 1 1 A 28 28 ALA N N 28 120.441 119.472 0.969 1
1 252 . 10 1 1 A 29 29 ASN H H 29 8.346 8.390 -0.044 1
1 253 . 10 1 1 A 29 29 ASN HA H 29 4.432 5.038 -0.606 1
1 258 . 10 1 1 A 29 29 ASN C C 29 172.259 174.540 -2.281 1
1 259 . 10 1 1 A 29 29 ASN CA C 29 52.943 52.401 0.542 1
1 260 . 10 1 1 A 29 29 ASN CB C 29 38.435 41.204 -2.769 1
1 261 . 10 1 1 A 29 29 ASN N N 29 118.701 114.826 3.875 1
1 263 . 10 1 1 A 30 30 ALA H H 30 8.177 8.701 -0.524 1
1 264 . 10 1 1 A 30 30 ALA HA H 30 4.010 4.821 -0.811 1
1 268 . 10 1 1 A 30 30 ALA C C 30 176.798 177.095 -0.297 1
1 269 . 10 1 1 A 30 30 ALA CA C 30 52.980 51.280 1.700 1
1 270 . 10 1 1 A 30 30 ALA CB C 30 19.233 19.764 -0.531 1
1 271 . 10 1 1 A 30 30 ALA N N 30 124.112 128.462 -4.350 1
1 272 . 10 1 1 A 31 31 TYR H H 31 7.984 7.925 0.059 1
1 273 . 10 1 1 A 31 31 TYR HA H 31 4.672 5.146 -0.474 1
1 280 . 10 1 1 A 31 31 TYR C C 31 172.283 173.136 -0.853 1
1 281 . 10 1 1 A 31 31 TYR CA C 31 55.483 55.519 -0.036 1
1 282 . 10 1 1 A 31 31 TYR CB C 31 39.058 38.321 0.737 1
1 287 . 10 1 1 A 31 31 TYR N N 31 115.568 117.710 -2.142 1
1 288 . 10 1 1 A 32 32 PRO HA H 32 4.249 4.713 -0.464 1
1 295 . 10 1 1 A 32 32 PRO C C 32 176.871 176.532 0.339 1
1 296 . 10 1 1 A 32 32 PRO CA C 32 62.710 62.857 -0.147 1
1 297 . 10 1 1 A 32 32 PRO CB C 32 29.959 32.578 -2.619 1
1 300 . 10 1 1 A 33 33 LYS H H 33 9.168 8.634 0.534 1
1 301 . 10 1 1 A 33 33 LYS HA H 33 4.426 4.803 -0.377 1
1 310 . 10 1 1 A 33 33 LYS C C 33 178.061 177.967 0.094 1
1 311 . 10 1 1 A 33 33 LYS CA C 33 55.236 55.001 0.235 1
1 312 . 10 1 1 A 33 33 LYS CB C 33 33.980 34.229 -0.249 1
1 316 . 10 1 1 A 33 33 LYS N N 33 121.451 120.662 0.789 1
1 317 . 10 1 1 A 34 34 ASP H H 34 9.017 8.875 0.142 1
1 318 . 10 1 1 A 34 34 ASP HA H 34 4.566 4.296 0.270 1
1 321 . 10 1 1 A 34 34 ASP C C 34 179.007 178.012 0.995 1
1 322 . 10 1 1 A 34 34 ASP CA C 34 58.973 57.875 1.098 1
1 323 . 10 1 1 A 34 34 ASP CB C 34 39.834 40.249 -0.415 1
1 324 . 10 1 1 A 34 34 ASP N N 34 122.268 121.866 0.402 1
1 325 . 10 1 1 A 35 35 ASP H H 35 8.955 8.294 0.661 1
1 326 . 10 1 1 A 35 35 ASP HA H 35 4.408 4.329 0.079 1
1 329 . 10 1 1 A 35 35 ASP C C 35 178.837 178.757 0.080 1
1 330 . 10 1 1 A 35 35 ASP CA C 35 56.611 57.990 -1.379 1
1 331 . 10 1 1 A 35 35 ASP CB C 35 39.609 41.848 -2.239 1
1 332 . 10 1 1 A 35 35 ASP N N 35 116.861 119.366 -2.505 1
1 333 . 10 1 1 A 36 36 GLU H H 36 7.208 7.906 -0.698 1
1 334 . 10 1 1 A 36 36 GLU HA H 36 4.051 4.018 0.033 1
1 339 . 10 1 1 A 36 36 GLU C C 36 179.226 179.101 0.125 1
1 340 . 10 1 1 A 36 36 GLU CA C 36 58.761 59.141 -0.380 1
1 341 . 10 1 1 A 36 36 GLU CB C 36 29.689 29.310 0.379 1
1 343 . 10 1 1 A 36 36 GLU N N 36 121.585 118.560 3.025 1
1 344 . 10 1 1 A 37 37 PHE H H 37 7.997 8.528 -0.531 1
1 345 . 10 1 1 A 37 37 PHE HA H 37 4.164 3.948 0.216 1
1 353 . 10 1 1 A 37 37 PHE C C 37 178.400 178.160 0.240 1
1 354 . 10 1 1 A 37 37 PHE CA C 37 61.915 61.274 0.641 1
1 355 . 10 1 1 A 37 37 PHE CB C 37 38.320 38.187 0.133 1
1 361 . 10 1 1 A 37 37 PHE N N 37 118.258 119.086 -0.828 1
1 362 . 10 1 1 A 38 38 GLU H H 38 7.806 8.318 -0.512 1
1 363 . 10 1 1 A 38 38 GLU HA H 38 4.027 4.000 0.027 1
1 368 . 10 1 1 A 38 38 GLU C C 38 178.764 179.205 -0.441 1
1 369 . 10 1 1 A 38 38 GLU CA C 38 59.325 60.035 -0.710 1
1 370 . 10 1 1 A 38 38 GLU CB C 38 29.083 29.305 -0.222 1
1 372 . 10 1 1 A 38 38 GLU N N 38 118.433 118.890 -0.457 1
1 373 . 10 1 1 A 39 39 GLN H H 39 7.845 8.159 -0.314 1
1 374 . 10 1 1 A 39 39 GLN HA H 39 4.149 3.829 0.320 1
1 381 . 10 1 1 A 39 39 GLN C C 39 179.541 178.909 0.632 1
1 382 . 10 1 1 A 39 39 GLN CA C 39 59.184 59.205 -0.021 1
1 383 . 10 1 1 A 39 39 GLN CB C 39 28.097 28.201 -0.104 1
1 385 . 10 1 1 A 39 39 GLN N N 39 119.859 118.861 0.998 1
1 387 . 10 1 1 A 40 40 LEU H H 40 8.130 7.545 0.585 1
1 388 . 10 1 1 A 40 40 LEU HA H 40 3.938 4.061 -0.123 1
1 398 . 10 1 1 A 40 40 LEU C C 40 178.158 179.293 -1.135 1
1 399 . 10 1 1 A 40 40 LEU CA C 40 58.092 57.583 0.509 1
1 400 . 10 1 1 A 40 40 LEU CB C 40 43.194 40.969 2.225 1
1 404 . 10 1 1 A 40 40 LEU N N 40 120.785 119.635 1.150 1
1 405 . 10 1 1 A 41 41 SER H H 41 8.241 8.519 -0.278 1
1 406 . 10 1 1 A 41 41 SER HA H 41 4.251 4.166 0.085 1
1 409 . 10 1 1 A 41 41 SER C C 41 177.891 177.274 0.617 1
1 410 . 10 1 1 A 41 41 SER CA C 41 61.194 61.456 -0.262 1
1 411 . 10 1 1 A 41 41 SER CB C 41 63.501 62.338 1.163 1
1 412 . 10 1 1 A 41 41 SER N N 41 114.804 113.910 0.894 1
1 413 . 10 1 1 A 42 42 ASN H H 42 7.969 8.130 -0.161 1
1 414 . 10 1 1 A 42 42 ASN HA H 42 4.515 4.626 -0.111 1
1 419 . 10 1 1 A 42 42 ASN C C 42 177.381 178.026 -0.645 1
1 420 . 10 1 1 A 42 42 ASN CA C 42 55.871 56.255 -0.384 1
1 421 . 10 1 1 A 42 42 ASN CB C 42 38.920 38.710 0.210 1
1 422 . 10 1 1 A 42 42 ASN N N 42 118.051 121.044 -2.993 1
1 424 . 10 1 1 A 43 43 LEU H H 43 8.169 7.598 0.571 1
1 425 . 10 1 1 A 43 43 LEU HA H 43 4.189 4.062 0.127 1
1 435 . 10 1 1 A 43 43 LEU C C 43 178.837 178.847 -0.010 1
1 436 . 10 1 1 A 43 43 LEU CA C 43 57.845 58.321 -0.476 1
1 437 . 10 1 1 A 43 43 LEU CB C 43 43.382 42.145 1.237 1
1 441 . 10 1 1 A 43 43 LEU N N 43 120.419 121.319 -0.900 1
1 442 . 10 1 1 A 44 44 LEU H H 44 8.185 7.919 0.266 1
1 443 . 10 1 1 A 44 44 LEU HA H 44 4.445 4.170 0.275 1
1 453 . 10 1 1 A 44 44 LEU C C 44 176.677 175.920 0.757 1
1 454 . 10 1 1 A 44 44 LEU CA C 44 54.397 54.927 -0.530 1
1 455 . 10 1 1 A 44 44 LEU CB C 44 43.111 42.058 1.053 1
1 459 . 10 1 1 A 44 44 LEU N N 44 113.030 118.202 -5.172 1
1 460 . 10 1 1 A 45 45 ASN H H 45 8.100 8.017 0.083 1
1 461 . 10 1 1 A 45 45 ASN HA H 45 4.440 4.509 -0.069 1
1 466 . 10 1 1 A 45 45 ASN C C 45 174.395 173.786 0.609 1
1 467 . 10 1 1 A 45 45 ASN CA C 45 54.073 54.485 -0.412 1
1 468 . 10 1 1 A 45 45 ASN CB C 45 36.970 36.870 0.100 1
1 469 . 10 1 1 A 45 45 ASN N N 45 117.438 115.571 1.867 1
1 471 . 10 1 1 A 46 46 LEU H H 46 7.476 7.446 0.030 1
1 472 . 10 1 1 A 46 46 LEU HA H 46 4.980 4.758 0.222 1
1 482 . 10 1 1 A 46 46 LEU C C 46 173.691 174.676 -0.985 1
1 483 . 10 1 1 A 46 46 LEU CA C 46 51.032 51.880 -0.848 1
1 484 . 10 1 1 A 46 46 LEU CB C 46 46.668 43.025 3.643 1
1 488 . 10 1 1 A 46 46 LEU N N 46 117.604 119.164 -1.560 1
1 489 . 10 1 1 A 47 47 PRO HA H 47 4.515 4.669 -0.154 1
1 496 . 10 1 1 A 47 47 PRO C C 47 177.915 177.608 0.307 1
1 497 . 10 1 1 A 47 47 PRO CA C 47 62.392 62.849 -0.457 1
1 498 . 10 1 1 A 47 47 PRO CB C 47 32.592 31.738 0.854 1
1 501 . 10 1 1 A 48 48 THR H H 48 8.818 8.677 0.141 1
1 502 . 10 1 1 A 48 48 THR HA H 48 3.590 3.995 -0.405 1
1 507 . 10 1 1 A 48 48 THR C C 48 176.628 176.008 0.620 1
1 508 . 10 1 1 A 48 48 THR CA C 48 67.384 65.559 1.825 1
1 509 . 10 1 1 A 48 48 THR CB C 48 67.996 68.460 -0.464 1
1 511 . 10 1 1 A 48 48 THR N N 48 120.240 118.875 1.365 1
1 512 . 10 1 1 A 49 49 ARG H H 49 8.750 8.260 0.490 1
1 513 . 10 1 1 A 49 49 ARG HA H 49 3.899 4.063 -0.164 1
1 520 . 10 1 1 A 49 49 ARG C C 49 178.012 178.431 -0.419 1
1 521 . 10 1 1 A 49 49 ARG CA C 49 59.079 58.599 0.480 1
1 522 . 10 1 1 A 49 49 ARG CB C 49 29.474 30.213 -0.739 1
1 525 . 10 1 1 A 49 49 ARG N N 49 117.541 120.961 -3.420 1
1 526 . 10 1 1 A 50 50 VAL H H 50 6.994 8.123 -1.129 1
1 527 . 10 1 1 A 50 50 VAL HA H 50 3.885 3.738 0.147 1
1 535 . 10 1 1 A 50 50 VAL C C 50 178.400 178.312 0.088 1
1 536 . 10 1 1 A 50 50 VAL CA C 50 65.099 66.263 -1.164 1
1 537 . 10 1 1 A 50 50 VAL CB C 50 31.909 31.746 0.163 1
1 540 . 10 1 1 A 50 50 VAL N N 50 115.765 120.437 -4.672 1
1 541 . 10 1 1 A 51 51 ILE H H 51 7.358 8.052 -0.694 1
1 542 . 10 1 1 A 51 51 ILE HA H 51 3.814 3.893 -0.079 1
1 552 . 10 1 1 A 51 51 ILE C C 51 177.648 178.822 -1.174 1
1 553 . 10 1 1 A 51 51 ILE CA C 51 65.318 64.364 0.954 1
1 554 . 10 1 1 A 51 51 ILE CB C 51 38.017 36.571 1.446 1
1 558 . 10 1 1 A 51 51 ILE N N 51 122.170 120.262 1.908 1
1 559 . 10 1 1 A 52 52 VAL H H 52 8.401 8.523 -0.122 1
1 560 . 10 1 1 A 52 52 VAL HA H 52 3.290 3.682 -0.392 1
1 568 . 10 1 1 A 52 52 VAL C C 52 179.177 178.006 1.171 1
1 569 . 10 1 1 A 52 52 VAL CA C 52 67.021 66.838 0.183 1
1 570 . 10 1 1 A 52 52 VAL CB C 52 31.583 31.641 -0.058 1
1 573 . 10 1 1 A 52 52 VAL N N 52 121.321 121.340 -0.019 1
1 574 . 10 1 1 A 53 53 VAL H H 53 7.691 7.755 -0.064 1
1 575 . 10 1 1 A 53 53 VAL HA H 53 3.711 3.758 -0.047 1
1 583 . 10 1 1 A 53 53 VAL C C 53 177.648 178.219 -0.571 1
1 584 . 10 1 1 A 53 53 VAL CA C 53 66.531 66.309 0.222 1
1 585 . 10 1 1 A 53 53 VAL CB C 53 31.936 31.596 0.340 1
1 588 . 10 1 1 A 53 53 VAL N N 53 119.305 119.303 0.002 1
1 589 . 10 1 1 A 54 54 TRP H H 54 8.127 7.932 0.195 1
1 590 . 10 1 1 A 54 54 TRP HA H 54 4.016 4.299 -0.283 1
1 599 . 10 1 1 A 54 54 TRP C C 54 180.100 178.412 1.688 1
1 600 . 10 1 1 A 54 54 TRP CA C 54 63.534 61.259 2.275 1
1 601 . 10 1 1 A 54 54 TRP CB C 54 28.747 29.563 -0.816 1
1 607 . 10 1 1 A 54 54 TRP N N 54 122.197 121.665 0.532 1
1 609 . 10 1 1 A 55 55 PHE H H 55 8.964 8.732 0.232 1
1 610 . 10 1 1 A 55 55 PHE HA H 55 3.843 4.557 -0.714 1
1 618 . 10 1 1 A 55 55 PHE C C 55 178.158 178.525 -0.367 1
1 619 . 10 1 1 A 55 55 PHE CA C 55 63.309 62.494 0.815 1
1 620 . 10 1 1 A 55 55 PHE CB C 55 39.818 39.037 0.781 1
1 626 . 10 1 1 A 55 55 PHE N N 55 119.663 118.749 0.914 1
1 627 . 10 1 1 A 56 56 GLN H H 56 8.412 8.803 -0.391 1
1 628 . 10 1 1 A 56 56 GLN HA H 56 3.984 3.905 0.079 1
1 635 . 10 1 1 A 56 56 GLN C C 56 179.420 179.115 0.305 1
1 636 . 10 1 1 A 56 56 GLN CA C 56 59.678 59.374 0.304 1
1 637 . 10 1 1 A 56 56 GLN CB C 56 27.981 28.326 -0.345 1
1 639 . 10 1 1 A 56 56 GLN N N 56 118.932 117.928 1.004 1
1 641 . 10 1 1 A 57 57 ASN H H 57 8.358 7.741 0.617 1
1 642 . 10 1 1 A 57 57 ASN HA H 57 4.302 4.443 -0.141 1
1 647 . 10 1 1 A 57 57 ASN C C 57 177.308 177.721 -0.413 1
1 648 . 10 1 1 A 57 57 ASN CA C 57 55.836 56.055 -0.219 1
1 649 . 10 1 1 A 57 57 ASN CB C 57 38.123 38.305 -0.182 1
1 650 . 10 1 1 A 57 57 ASN N N 57 118.552 118.055 0.497 1
1 652 . 10 1 1 A 58 58 ALA H H 58 8.097 7.694 0.403 1
1 653 . 10 1 1 A 58 58 ALA HA H 58 3.280 3.496 -0.216 1
1 657 . 10 1 1 A 58 58 ALA C C 58 180.512 179.755 0.757 1
1 658 . 10 1 1 A 58 58 ALA CA C 58 54.711 54.511 0.200 1
1 659 . 10 1 1 A 58 58 ALA CB C 58 16.685 17.294 -0.609 1
1 660 . 10 1 1 A 58 58 ALA N N 58 125.426 121.681 3.745 1
1 661 . 10 1 1 A 59 59 ARG H H 59 8.104 7.385 0.719 1
1 662 . 10 1 1 A 59 59 ARG HA H 59 4.159 4.389 -0.230 1
1 669 . 10 1 1 A 59 59 ARG C C 59 178.570 178.963 -0.393 1
1 670 . 10 1 1 A 59 59 ARG CA C 59 59.916 59.193 0.723 1
1 671 . 10 1 1 A 59 59 ARG CB C 59 31.344 30.430 0.914 1
1 674 . 10 1 1 A 59 59 ARG N N 59 117.308 117.728 -0.420 1
1 675 . 10 1 1 A 60 60 GLN H H 60 7.532 8.331 -0.799 1
1 676 . 10 1 1 A 60 60 GLN HA H 60 4.118 4.057 0.061 1
1 683 . 10 1 1 A 60 60 GLN C C 60 178.036 177.386 0.650 1
1 684 . 10 1 1 A 60 60 GLN CA C 60 58.021 58.731 -0.710 1
1 685 . 10 1 1 A 60 60 GLN CB C 60 28.460 27.769 0.691 1
1 687 . 10 1 1 A 60 60 GLN N N 60 118.195 118.021 0.174 1
1 689 . 10 1 1 A 61 61 LYS H H 61 7.738 8.064 -0.326 1
1 690 . 10 1 1 A 61 61 LYS HA H 61 4.038 4.065 -0.027 1
1 699 . 10 1 1 A 61 61 LYS C C 61 177.454 178.928 -1.474 1
1 700 . 10 1 1 A 61 61 LYS CA C 61 57.938 58.252 -0.314 1
1 701 . 10 1 1 A 61 61 LYS CB C 61 32.497 32.083 0.414 1
1 705 . 10 1 1 A 61 61 LYS N N 61 119.476 118.725 0.751 1
1 706 . 10 1 1 A 62 62 ALA H H 62 7.699 7.849 -0.150 1
1 707 . 10 1 1 A 62 62 ALA HA H 62 4.265 4.119 0.146 1
1 711 . 10 1 1 A 62 62 ALA C C 62 177.818 178.442 -0.624 1
1 712 . 10 1 1 A 62 62 ALA CA C 62 52.945 54.990 -2.045 1
1 713 . 10 1 1 A 62 62 ALA CB C 62 18.904 18.423 0.481 1
1 714 . 10 1 1 A 62 62 ALA N N 62 121.322 120.898 0.424 1
1 715 . 10 1 1 A 63 63 ARG H H 63 7.831 7.216 0.615 1
1 716 . 10 1 1 A 63 63 ARG HA H 63 4.237 4.287 -0.050 1
1 722 . 10 1 1 A 63 63 ARG C C 63 176.580 176.026 0.554 1
1 723 . 10 1 1 A 63 63 ARG CA C 63 56.717 56.625 0.092 1
1 724 . 10 1 1 A 63 63 ARG CB C 63 30.124 30.841 -0.717 1
1 727 . 10 1 1 A 63 63 ARG N N 63 118.592 117.767 0.825 1
1 728 . 10 1 1 A 64 64 LYS H H 64 8.213 8.581 -0.368 1
1 729 . 10 1 1 A 64 64 LYS HA H 64 4.365 4.478 -0.113 1
1 738 . 10 1 1 A 64 64 LYS C C 64 176.677 176.151 0.526 1
1 739 . 10 1 1 A 64 64 LYS CA C 64 56.329 55.439 0.890 1
1 740 . 10 1 1 A 64 64 LYS CB C 64 32.906 31.685 1.221 1
1 744 . 10 1 1 A 64 64 LYS N N 64 121.456 125.608 -4.152 1
1 745 . 10 1 1 A 65 65 SER H H 65 8.289 8.461 -0.172 1
1 746 . 10 1 1 A 65 65 SER HA H 65 4.510 4.543 -0.033 1
1 749 . 10 1 1 A 65 65 SER C C 65 174.492 174.667 -0.175 1
1 750 . 10 1 1 A 65 65 SER CA C 65 58.303 59.334 -1.031 1
1 751 . 10 1 1 A 65 65 SER CB C 65 64.052 62.883 1.169 1
1 752 . 10 1 1 A 65 65 SER N N 65 116.719 119.522 -2.803 1
1 753 . 10 1 1 A 66 66 GLY H H 66 8.242 8.617 -0.375 1
1 754 . 10 1 1 A 66 66 GLY HA2 H 66 4.120 4.114 0.006 1
1 755 . 10 1 1 A 66 66 GLY HA3 H 66 4.148 4.115 0.033 1
1 756 . 10 1 1 A 66 66 GLY C C 66 171.798 173.325 -1.527 1
1 757 . 10 1 1 A 66 66 GLY CA C 66 44.687 44.503 0.184 1
1 758 . 10 1 1 A 66 66 GLY N N 66 110.632 112.190 -1.558 1
1 759 . 10 1 1 A 67 67 PRO HA H 67 4.458 4.767 -0.309 1
1 766 . 10 1 1 A 67 67 PRO C C 67 177.429 175.428 2.001 1
1 767 . 10 1 1 A 67 67 PRO CA C 67 63.309 62.851 0.458 1
1 768 . 10 1 1 A 67 67 PRO CB C 67 32.200 31.380 0.820 1
1 771 . 10 1 1 A 68 68 SER H H 68 8.535 8.843 -0.308 1
1 772 . 10 1 1 A 68 68 SER HA H 68 4.482 4.854 -0.372 1
1 775 . 10 1 1 A 68 68 SER C C 68 174.638 173.332 1.306 1
1 776 . 10 1 1 A 68 68 SER CA C 68 58.444 57.732 0.712 1
1 777 . 10 1 1 A 68 68 SER CB C 68 63.838 65.879 -2.041 1
1 778 . 10 1 1 A 68 68 SER N N 68 116.359 119.103 -2.744 1
1 779 . 10 1 1 A 69 69 SER H H 69 8.300 8.631 -0.331 1
1 780 . 10 1 1 A 69 69 SER HA H 69 4.477 4.566 -0.089 1
1 783 . 10 1 1 A 69 69 SER C C 69 173.934 175.581 -1.647 1
1 784 . 10 1 1 A 69 69 SER CA C 69 58.374 58.991 -0.617 1
1 785 . 10 1 1 A 69 69 SER CB C 69 64.134 64.294 -0.160 1
1 786 . 10 1 1 A 69 69 SER N N 69 117.715 123.198 -5.483 1
1 1 . 11 1 1 A 10 10 SER HA H 10 4.461 4.168 0.293 1
1 4 . 11 1 1 A 10 10 SER C C 10 174.492 173.580 0.912 1
1 5 . 11 1 1 A 10 10 SER CA C 10 58.479 58.928 -0.449 1
1 6 . 11 1 1 A 10 10 SER CB C 10 63.932 61.436 2.496 1
1 7 . 11 1 1 A 11 11 ARG H H 11 8.318 8.050 0.268 1
1 8 . 11 1 1 A 11 11 ARG HA H 11 4.391 4.282 0.109 1
1 15 . 11 1 1 A 11 11 ARG C C 11 176.264 175.783 0.481 1
1 16 . 11 1 1 A 11 11 ARG CA C 11 56.118 56.861 -0.743 1
1 17 . 11 1 1 A 11 11 ARG CB C 11 30.849 31.337 -0.488 1
1 20 . 11 1 1 A 11 11 ARG N N 11 122.795 120.563 2.232 1
1 21 . 11 1 1 A 12 12 THR H H 12 8.159 8.646 -0.487 1
1 22 . 11 1 1 A 12 12 THR HA H 12 4.150 4.767 -0.617 1
1 27 . 11 1 1 A 12 12 THR C C 12 173.740 173.419 0.321 1
1 28 . 11 1 1 A 12 12 THR CA C 12 62.463 61.567 0.896 1
1 29 . 11 1 1 A 12 12 THR CB C 12 69.770 70.139 -0.369 1
1 31 . 11 1 1 A 12 12 THR N N 12 117.261 117.329 -0.068 1
1 32 . 11 1 1 A 13 13 ARG H H 13 8.319 8.629 -0.310 1
1 33 . 11 1 1 A 13 13 ARG HA H 13 4.332 4.734 -0.402 1
1 40 . 11 1 1 A 13 13 ARG C C 13 175.560 174.715 0.845 1
1 41 . 11 1 1 A 13 13 ARG CA C 13 55.518 54.478 1.040 1
1 42 . 11 1 1 A 13 13 ARG CB C 13 30.763 33.044 -2.281 1
1 45 . 11 1 1 A 13 13 ARG N N 13 125.163 124.357 0.806 1
1 46 . 11 1 1 A 14 14 PHE H H 14 8.195 9.166 -0.971 1
1 47 . 11 1 1 A 14 14 PHE HA H 14 4.952 5.239 -0.287 1
1 55 . 11 1 1 A 14 14 PHE C C 14 176.993 174.637 2.356 1
1 56 . 11 1 1 A 14 14 PHE CA C 14 56.859 56.048 0.811 1
1 57 . 11 1 1 A 14 14 PHE CB C 14 41.107 41.821 -0.714 1
1 63 . 11 1 1 A 14 14 PHE N N 14 121.558 122.615 -1.057 1
1 64 . 11 1 1 A 15 15 THR H H 15 8.999 8.523 0.476 1
1 65 . 11 1 1 A 15 15 THR HA H 15 4.491 4.880 -0.389 1
1 70 . 11 1 1 A 15 15 THR C C 15 174.856 175.282 -0.426 1
1 71 . 11 1 1 A 15 15 THR CA C 15 60.559 59.786 0.773 1
1 72 . 11 1 1 A 15 15 THR CB C 15 70.890 71.047 -0.157 1
1 74 . 11 1 1 A 15 15 THR N N 15 113.369 115.446 -2.077 1
1 75 . 11 1 1 A 16 16 ASP H H 16 8.906 9.321 -0.415 1
1 76 . 11 1 1 A 16 16 ASP HA H 16 4.333 4.273 0.060 1
1 79 . 11 1 1 A 16 16 ASP C C 16 178.764 177.864 0.900 1
1 80 . 11 1 1 A 16 16 ASP CA C 16 57.911 58.224 -0.313 1
1 81 . 11 1 1 A 16 16 ASP CB C 16 39.994 40.482 -0.488 1
1 82 . 11 1 1 A 16 16 ASP N N 16 120.884 127.171 -6.287 1
1 83 . 11 1 1 A 17 17 TYR H H 17 8.356 8.185 0.171 1
1 84 . 11 1 1 A 17 17 TYR HA H 17 4.211 4.113 0.098 1
1 91 . 11 1 1 A 17 17 TYR C C 17 176.264 177.850 -1.586 1
1 92 . 11 1 1 A 17 17 TYR CA C 17 61.045 61.843 -0.798 1
1 93 . 11 1 1 A 17 17 TYR CB C 17 38.666 38.656 0.010 1
1 98 . 11 1 1 A 17 17 TYR N N 17 119.909 122.112 -2.203 1
1 99 . 11 1 1 A 18 18 GLN H H 18 7.582 8.304 -0.722 1
1 100 . 11 1 1 A 18 18 GLN HA H 18 3.482 3.603 -0.121 1
1 107 . 11 1 1 A 18 18 GLN C C 18 177.502 178.603 -1.101 1
1 108 . 11 1 1 A 18 18 GLN CA C 18 58.726 58.723 0.003 1
1 109 . 11 1 1 A 18 18 GLN CB C 18 27.717 28.547 -0.830 1
1 111 . 11 1 1 A 18 18 GLN N N 18 116.647 118.404 -1.757 1
1 113 . 11 1 1 A 19 19 LEU H H 19 8.170 8.675 -0.505 1
1 114 . 11 1 1 A 19 19 LEU HA H 19 3.508 3.682 -0.174 1
1 124 . 11 1 1 A 19 19 LEU C C 19 178.546 179.261 -0.715 1
1 125 . 11 1 1 A 19 19 LEU CA C 19 57.625 57.790 -0.165 1
1 126 . 11 1 1 A 19 19 LEU CB C 19 41.812 41.232 0.580 1
1 130 . 11 1 1 A 19 19 LEU N N 19 115.406 119.913 -4.507 1
1 131 . 11 1 1 A 20 20 ARG H H 20 7.792 8.191 -0.399 1
1 132 . 11 1 1 A 20 20 ARG HA H 20 3.917 3.975 -0.058 1
1 138 . 11 1 1 A 20 20 ARG C C 20 178.036 178.793 -0.757 1
1 139 . 11 1 1 A 20 20 ARG CA C 20 59.026 58.824 0.202 1
1 140 . 11 1 1 A 20 20 ARG CB C 20 29.861 29.991 -0.130 1
1 143 . 11 1 1 A 20 20 ARG N N 20 120.360 120.509 -0.149 1
1 144 . 11 1 1 A 21 21 VAL H H 21 7.601 7.392 0.209 1
1 145 . 11 1 1 A 21 21 VAL HA H 21 3.533 3.583 -0.050 1
1 153 . 11 1 1 A 21 21 VAL C C 21 179.541 178.071 1.470 1
1 154 . 11 1 1 A 21 21 VAL CA C 21 66.327 66.156 0.171 1
1 155 . 11 1 1 A 21 21 VAL CB C 21 31.509 31.392 0.117 1
1 158 . 11 1 1 A 21 21 VAL N N 21 119.151 119.120 0.031 1
1 159 . 11 1 1 A 22 22 LEU H H 22 7.898 8.307 -0.409 1
1 160 . 11 1 1 A 22 22 LEU HA H 22 3.513 3.827 -0.314 1
1 170 . 11 1 1 A 22 22 LEU C C 22 177.527 178.940 -1.413 1
1 171 . 11 1 1 A 22 22 LEU CA C 22 58.181 58.029 0.152 1
1 172 . 11 1 1 A 22 22 LEU CB C 22 38.573 40.565 -1.992 1
1 176 . 11 1 1 A 22 22 LEU N N 22 119.825 119.559 0.266 1
1 177 . 11 1 1 A 23 23 GLN H H 23 8.171 8.137 0.034 1
1 178 . 11 1 1 A 23 23 GLN HA H 23 3.925 3.964 -0.039 1
1 185 . 11 1 1 A 23 23 GLN C C 23 178.061 177.587 0.474 1
1 186 . 11 1 1 A 23 23 GLN CA C 23 58.832 58.922 -0.090 1
1 187 . 11 1 1 A 23 23 GLN CB C 23 28.769 28.685 0.084 1
1 189 . 11 1 1 A 23 23 GLN N N 23 118.186 118.091 0.095 1
1 191 . 11 1 1 A 24 24 ASP H H 24 8.446 8.061 0.385 1
1 192 . 11 1 1 A 24 24 ASP HA H 24 4.373 4.438 -0.065 1
1 195 . 11 1 1 A 24 24 ASP C C 24 179.347 178.688 0.659 1
1 196 . 11 1 1 A 24 24 ASP CA C 24 57.294 57.217 0.077 1
1 197 . 11 1 1 A 24 24 ASP CB C 24 40.035 41.035 -1.000 1
1 198 . 11 1 1 A 24 24 ASP N N 24 118.634 119.501 -0.867 1
1 199 . 11 1 1 A 25 25 PHE H H 25 8.224 8.282 -0.058 1
1 200 . 11 1 1 A 25 25 PHE HA H 25 4.062 4.296 -0.234 1
1 208 . 11 1 1 A 25 25 PHE C C 25 177.891 177.514 0.377 1
1 209 . 11 1 1 A 25 25 PHE CA C 25 61.546 60.872 0.674 1
1 210 . 11 1 1 A 25 25 PHE CB C 25 39.246 39.106 0.140 1
1 216 . 11 1 1 A 25 25 PHE N N 25 121.633 119.964 1.669 1
1 217 . 11 1 1 A 26 26 PHE H H 26 9.167 8.174 0.993 1
1 218 . 11 1 1 A 26 26 PHE HA H 26 4.302 4.601 -0.299 1
1 226 . 11 1 1 A 26 26 PHE C C 26 176.531 176.973 -0.442 1
1 227 . 11 1 1 A 26 26 PHE CA C 26 61.476 61.442 0.034 1
1 228 . 11 1 1 A 26 26 PHE CB C 26 39.471 38.785 0.686 1
1 234 . 11 1 1 A 26 26 PHE N N 26 121.265 120.019 1.246 1
1 235 . 11 1 1 A 27 27 ASP H H 27 8.654 8.419 0.235 1
1 236 . 11 1 1 A 27 27 ASP HA H 27 4.238 4.488 -0.250 1
1 239 . 11 1 1 A 27 27 ASP C C 27 177.429 177.518 -0.089 1
1 240 . 11 1 1 A 27 27 ASP CA C 27 56.717 57.574 -0.857 1
1 241 . 11 1 1 A 27 27 ASP CB C 27 40.406 41.970 -1.564 1
1 242 . 11 1 1 A 27 27 ASP N N 27 116.555 119.394 -2.839 1
1 243 . 11 1 1 A 28 28 ALA H H 28 7.262 7.660 -0.398 1
1 244 . 11 1 1 A 28 28 ALA HA H 28 4.316 4.297 0.019 1
1 248 . 11 1 1 A 28 28 ALA C C 28 177.891 177.407 0.484 1
1 249 . 11 1 1 A 28 28 ALA CA C 28 52.839 53.405 -0.566 1
1 250 . 11 1 1 A 28 28 ALA CB C 28 19.698 19.881 -0.183 1
1 251 . 11 1 1 A 28 28 ALA N N 28 120.441 119.135 1.306 1
1 252 . 11 1 1 A 29 29 ASN H H 29 8.346 8.370 -0.024 1
1 253 . 11 1 1 A 29 29 ASN HA H 29 4.432 5.037 -0.605 1
1 258 . 11 1 1 A 29 29 ASN C C 29 172.259 174.444 -2.185 1
1 259 . 11 1 1 A 29 29 ASN CA C 29 52.943 52.588 0.355 1
1 260 . 11 1 1 A 29 29 ASN CB C 29 38.435 41.498 -3.063 1
1 261 . 11 1 1 A 29 29 ASN N N 29 118.701 114.746 3.955 1
1 263 . 11 1 1 A 30 30 ALA H H 30 8.177 8.623 -0.446 1
1 264 . 11 1 1 A 30 30 ALA HA H 30 4.010 4.713 -0.703 1
1 268 . 11 1 1 A 30 30 ALA C C 30 176.798 176.690 0.108 1
1 269 . 11 1 1 A 30 30 ALA CA C 30 52.980 50.961 2.019 1
1 270 . 11 1 1 A 30 30 ALA CB C 30 19.233 19.397 -0.164 1
1 271 . 11 1 1 A 30 30 ALA N N 30 124.112 128.165 -4.053 1
1 272 . 11 1 1 A 31 31 TYR H H 31 7.984 7.816 0.168 1
1 273 . 11 1 1 A 31 31 TYR HA H 31 4.672 5.164 -0.492 1
1 280 . 11 1 1 A 31 31 TYR C C 31 172.283 173.140 -0.857 1
1 281 . 11 1 1 A 31 31 TYR CA C 31 55.483 55.562 -0.079 1
1 282 . 11 1 1 A 31 31 TYR CB C 31 39.058 38.330 0.728 1
1 287 . 11 1 1 A 31 31 TYR N N 31 115.568 117.725 -2.157 1
1 288 . 11 1 1 A 32 32 PRO HA H 32 4.249 4.717 -0.468 1
1 295 . 11 1 1 A 32 32 PRO C C 32 176.871 176.548 0.323 1
1 296 . 11 1 1 A 32 32 PRO CA C 32 62.710 62.817 -0.107 1
1 297 . 11 1 1 A 32 32 PRO CB C 32 29.959 32.586 -2.627 1
1 300 . 11 1 1 A 33 33 LYS H H 33 9.168 8.688 0.480 1
1 301 . 11 1 1 A 33 33 LYS HA H 33 4.426 4.808 -0.382 1
1 310 . 11 1 1 A 33 33 LYS C C 33 178.061 178.061 0.000 1
1 311 . 11 1 1 A 33 33 LYS CA C 33 55.236 55.044 0.192 1
1 312 . 11 1 1 A 33 33 LYS CB C 33 33.980 34.030 -0.050 1
1 316 . 11 1 1 A 33 33 LYS N N 33 121.451 120.831 0.620 1
1 317 . 11 1 1 A 34 34 ASP H H 34 9.017 8.866 0.151 1
1 318 . 11 1 1 A 34 34 ASP HA H 34 4.566 4.315 0.251 1
1 321 . 11 1 1 A 34 34 ASP C C 34 179.007 178.046 0.961 1
1 322 . 11 1 1 A 34 34 ASP CA C 34 58.973 57.963 1.010 1
1 323 . 11 1 1 A 34 34 ASP CB C 34 39.834 40.352 -0.518 1
1 324 . 11 1 1 A 34 34 ASP N N 34 122.268 121.856 0.412 1
1 325 . 11 1 1 A 35 35 ASP H H 35 8.955 8.247 0.708 1
1 326 . 11 1 1 A 35 35 ASP HA H 35 4.408 4.686 -0.278 1
1 329 . 11 1 1 A 35 35 ASP C C 35 178.837 178.656 0.181 1
1 330 . 11 1 1 A 35 35 ASP CA C 35 56.611 57.866 -1.255 1
1 331 . 11 1 1 A 35 35 ASP CB C 35 39.609 41.036 -1.427 1
1 332 . 11 1 1 A 35 35 ASP N N 35 116.861 119.120 -2.259 1
1 333 . 11 1 1 A 36 36 GLU H H 36 7.208 8.024 -0.816 1
1 334 . 11 1 1 A 36 36 GLU HA H 36 4.051 4.014 0.037 1
1 339 . 11 1 1 A 36 36 GLU C C 36 179.226 179.038 0.188 1
1 340 . 11 1 1 A 36 36 GLU CA C 36 58.761 59.131 -0.370 1
1 341 . 11 1 1 A 36 36 GLU CB C 36 29.689 29.371 0.318 1
1 343 . 11 1 1 A 36 36 GLU N N 36 121.585 118.527 3.058 1
1 344 . 11 1 1 A 37 37 PHE H H 37 7.997 8.520 -0.523 1
1 345 . 11 1 1 A 37 37 PHE HA H 37 4.164 4.040 0.124 1
1 353 . 11 1 1 A 37 37 PHE C C 37 178.400 178.028 0.372 1
1 354 . 11 1 1 A 37 37 PHE CA C 37 61.915 61.104 0.811 1
1 355 . 11 1 1 A 37 37 PHE CB C 37 38.320 38.156 0.164 1
1 361 . 11 1 1 A 37 37 PHE N N 37 118.258 119.070 -0.812 1
1 362 . 11 1 1 A 38 38 GLU H H 38 7.806 8.392 -0.586 1
1 363 . 11 1 1 A 38 38 GLU HA H 38 4.027 3.818 0.209 1
1 368 . 11 1 1 A 38 38 GLU C C 38 178.764 179.262 -0.498 1
1 369 . 11 1 1 A 38 38 GLU CA C 38 59.325 60.056 -0.731 1
1 370 . 11 1 1 A 38 38 GLU CB C 38 29.083 29.580 -0.497 1
1 372 . 11 1 1 A 38 38 GLU N N 38 118.433 120.106 -1.673 1
1 373 . 11 1 1 A 39 39 GLN H H 39 7.845 8.112 -0.267 1
1 374 . 11 1 1 A 39 39 GLN HA H 39 4.149 3.873 0.276 1
1 381 . 11 1 1 A 39 39 GLN C C 39 179.541 178.721 0.820 1
1 382 . 11 1 1 A 39 39 GLN CA C 39 59.184 59.014 0.170 1
1 383 . 11 1 1 A 39 39 GLN CB C 39 28.097 28.105 -0.008 1
1 385 . 11 1 1 A 39 39 GLN N N 39 119.859 118.716 1.143 1
1 387 . 11 1 1 A 40 40 LEU H H 40 8.130 7.470 0.660 1
1 388 . 11 1 1 A 40 40 LEU HA H 40 3.938 3.995 -0.057 1
1 398 . 11 1 1 A 40 40 LEU C C 40 178.158 178.919 -0.761 1
1 399 . 11 1 1 A 40 40 LEU CA C 40 58.092 57.549 0.543 1
1 400 . 11 1 1 A 40 40 LEU CB C 40 43.194 41.478 1.716 1
1 404 . 11 1 1 A 40 40 LEU N N 40 120.785 120.297 0.488 1
1 405 . 11 1 1 A 41 41 SER H H 41 8.241 8.156 0.085 1
1 406 . 11 1 1 A 41 41 SER HA H 41 4.251 4.399 -0.148 1
1 409 . 11 1 1 A 41 41 SER C C 41 177.891 176.953 0.938 1
1 410 . 11 1 1 A 41 41 SER CA C 41 61.194 61.483 -0.289 1
1 411 . 11 1 1 A 41 41 SER CB C 41 63.501 62.247 1.254 1
1 412 . 11 1 1 A 41 41 SER N N 41 114.804 113.374 1.430 1
1 413 . 11 1 1 A 42 42 ASN H H 42 7.969 8.019 -0.050 1
1 414 . 11 1 1 A 42 42 ASN HA H 42 4.515 4.633 -0.118 1
1 419 . 11 1 1 A 42 42 ASN C C 42 177.381 177.888 -0.507 1
1 420 . 11 1 1 A 42 42 ASN CA C 42 55.871 56.333 -0.462 1
1 421 . 11 1 1 A 42 42 ASN CB C 42 38.920 38.498 0.422 1
1 422 . 11 1 1 A 42 42 ASN N N 42 118.051 121.075 -3.024 1
1 424 . 11 1 1 A 43 43 LEU H H 43 8.169 7.723 0.446 1
1 425 . 11 1 1 A 43 43 LEU HA H 43 4.189 4.126 0.063 1
1 435 . 11 1 1 A 43 43 LEU C C 43 178.837 178.823 0.014 1
1 436 . 11 1 1 A 43 43 LEU CA C 43 57.845 58.058 -0.213 1
1 437 . 11 1 1 A 43 43 LEU CB C 43 43.382 42.014 1.368 1
1 441 . 11 1 1 A 43 43 LEU N N 43 120.419 121.760 -1.341 1
1 442 . 11 1 1 A 44 44 LEU H H 44 8.185 8.299 -0.114 1
1 443 . 11 1 1 A 44 44 LEU HA H 44 4.445 4.211 0.234 1
1 453 . 11 1 1 A 44 44 LEU C C 44 176.677 175.947 0.730 1
1 454 . 11 1 1 A 44 44 LEU CA C 44 54.397 54.847 -0.450 1
1 455 . 11 1 1 A 44 44 LEU CB C 44 43.111 41.977 1.134 1
1 459 . 11 1 1 A 44 44 LEU N N 44 113.030 118.262 -5.232 1
1 460 . 11 1 1 A 45 45 ASN H H 45 8.100 8.033 0.067 1
1 461 . 11 1 1 A 45 45 ASN HA H 45 4.440 4.705 -0.265 1
1 466 . 11 1 1 A 45 45 ASN C C 45 174.395 173.913 0.482 1
1 467 . 11 1 1 A 45 45 ASN CA C 45 54.073 54.425 -0.352 1
1 468 . 11 1 1 A 45 45 ASN CB C 45 36.970 37.030 -0.060 1
1 469 . 11 1 1 A 45 45 ASN N N 45 117.438 115.489 1.949 1
1 471 . 11 1 1 A 46 46 LEU H H 46 7.476 7.801 -0.325 1
1 472 . 11 1 1 A 46 46 LEU HA H 46 4.980 4.757 0.223 1
1 482 . 11 1 1 A 46 46 LEU C C 46 173.691 174.632 -0.941 1
1 483 . 11 1 1 A 46 46 LEU CA C 46 51.032 51.975 -0.943 1
1 484 . 11 1 1 A 46 46 LEU CB C 46 46.668 42.586 4.082 1
1 488 . 11 1 1 A 46 46 LEU N N 46 117.604 119.770 -2.166 1
1 489 . 11 1 1 A 47 47 PRO HA H 47 4.515 4.667 -0.152 1
1 496 . 11 1 1 A 47 47 PRO C C 47 177.915 177.612 0.303 1
1 497 . 11 1 1 A 47 47 PRO CA C 47 62.392 62.869 -0.477 1
1 498 . 11 1 1 A 47 47 PRO CB C 47 32.592 31.793 0.799 1
1 501 . 11 1 1 A 48 48 THR H H 48 8.818 8.681 0.137 1
1 502 . 11 1 1 A 48 48 THR HA H 48 3.590 3.991 -0.401 1
1 507 . 11 1 1 A 48 48 THR C C 48 176.628 176.020 0.608 1
1 508 . 11 1 1 A 48 48 THR CA C 48 67.384 65.570 1.814 1
1 509 . 11 1 1 A 48 48 THR CB C 48 67.996 68.485 -0.489 1
1 511 . 11 1 1 A 48 48 THR N N 48 120.240 118.793 1.447 1
1 512 . 11 1 1 A 49 49 ARG H H 49 8.750 8.256 0.494 1
1 513 . 11 1 1 A 49 49 ARG HA H 49 3.899 4.077 -0.178 1
1 520 . 11 1 1 A 49 49 ARG C C 49 178.012 178.398 -0.386 1
1 521 . 11 1 1 A 49 49 ARG CA C 49 59.079 58.596 0.483 1
1 522 . 11 1 1 A 49 49 ARG CB C 49 29.474 30.188 -0.714 1
1 525 . 11 1 1 A 49 49 ARG N N 49 117.541 120.968 -3.427 1
1 526 . 11 1 1 A 50 50 VAL H H 50 6.994 8.111 -1.117 1
1 527 . 11 1 1 A 50 50 VAL HA H 50 3.885 3.758 0.127 1
1 535 . 11 1 1 A 50 50 VAL C C 50 178.400 178.314 0.086 1
1 536 . 11 1 1 A 50 50 VAL CA C 50 65.099 66.208 -1.109 1
1 537 . 11 1 1 A 50 50 VAL CB C 50 31.909 31.745 0.164 1
1 540 . 11 1 1 A 50 50 VAL N N 50 115.765 120.365 -4.600 1
1 541 . 11 1 1 A 51 51 ILE H H 51 7.358 8.024 -0.666 1
1 542 . 11 1 1 A 51 51 ILE HA H 51 3.814 3.910 -0.096 1
1 552 . 11 1 1 A 51 51 ILE C C 51 177.648 178.748 -1.100 1
1 553 . 11 1 1 A 51 51 ILE CA C 51 65.318 64.316 1.002 1
1 554 . 11 1 1 A 51 51 ILE CB C 51 38.017 36.415 1.602 1
1 558 . 11 1 1 A 51 51 ILE N N 51 122.170 120.130 2.040 1
1 559 . 11 1 1 A 52 52 VAL H H 52 8.401 8.569 -0.168 1
1 560 . 11 1 1 A 52 52 VAL HA H 52 3.290 3.676 -0.386 1
1 568 . 11 1 1 A 52 52 VAL C C 52 179.177 178.157 1.020 1
1 569 . 11 1 1 A 52 52 VAL CA C 52 67.021 66.907 0.114 1
1 570 . 11 1 1 A 52 52 VAL CB C 52 31.583 31.651 -0.068 1
1 573 . 11 1 1 A 52 52 VAL N N 52 121.321 121.579 -0.258 1
1 574 . 11 1 1 A 53 53 VAL H H 53 7.691 7.703 -0.012 1
1 575 . 11 1 1 A 53 53 VAL HA H 53 3.711 3.724 -0.013 1
1 583 . 11 1 1 A 53 53 VAL C C 53 177.648 178.186 -0.538 1
1 584 . 11 1 1 A 53 53 VAL CA C 53 66.531 66.445 0.086 1
1 585 . 11 1 1 A 53 53 VAL CB C 53 31.936 31.606 0.330 1
1 588 . 11 1 1 A 53 53 VAL N N 53 119.305 119.612 -0.307 1
1 589 . 11 1 1 A 54 54 TRP H H 54 8.127 7.849 0.278 1
1 590 . 11 1 1 A 54 54 TRP HA H 54 4.016 4.315 -0.299 1
1 599 . 11 1 1 A 54 54 TRP C C 54 180.100 178.386 1.714 1
1 600 . 11 1 1 A 54 54 TRP CA C 54 63.534 61.119 2.415 1
1 601 . 11 1 1 A 54 54 TRP CB C 54 28.747 29.385 -0.638 1
1 607 . 11 1 1 A 54 54 TRP N N 54 122.197 121.649 0.548 1
1 609 . 11 1 1 A 55 55 PHE H H 55 8.964 8.716 0.248 1
1 610 . 11 1 1 A 55 55 PHE HA H 55 3.843 4.565 -0.722 1
1 618 . 11 1 1 A 55 55 PHE C C 55 178.158 178.489 -0.331 1
1 619 . 11 1 1 A 55 55 PHE CA C 55 63.309 62.352 0.957 1
1 620 . 11 1 1 A 55 55 PHE CB C 55 39.818 39.019 0.799 1
1 626 . 11 1 1 A 55 55 PHE N N 55 119.663 118.409 1.254 1
1 627 . 11 1 1 A 56 56 GLN H H 56 8.412 8.781 -0.369 1
1 628 . 11 1 1 A 56 56 GLN HA H 56 3.984 3.961 0.023 1
1 635 . 11 1 1 A 56 56 GLN C C 56 179.420 179.108 0.312 1
1 636 . 11 1 1 A 56 56 GLN CA C 56 59.678 59.163 0.515 1
1 637 . 11 1 1 A 56 56 GLN CB C 56 27.981 28.364 -0.383 1
1 639 . 11 1 1 A 56 56 GLN N N 56 118.932 117.979 0.953 1
1 641 . 11 1 1 A 57 57 ASN H H 57 8.358 7.883 0.475 1
1 642 . 11 1 1 A 57 57 ASN HA H 57 4.302 4.831 -0.529 1
1 647 . 11 1 1 A 57 57 ASN C C 57 177.308 177.531 -0.223 1
1 648 . 11 1 1 A 57 57 ASN CA C 57 55.836 56.128 -0.292 1
1 649 . 11 1 1 A 57 57 ASN CB C 57 38.123 38.499 -0.376 1
1 650 . 11 1 1 A 57 57 ASN N N 57 118.552 118.416 0.136 1
1 652 . 11 1 1 A 58 58 ALA H H 58 8.097 7.750 0.347 1
1 653 . 11 1 1 A 58 58 ALA HA H 58 3.280 3.478 -0.198 1
1 657 . 11 1 1 A 58 58 ALA C C 58 180.512 179.917 0.595 1
1 658 . 11 1 1 A 58 58 ALA CA C 58 54.711 54.644 0.067 1
1 659 . 11 1 1 A 58 58 ALA CB C 58 16.685 17.413 -0.728 1
1 660 . 11 1 1 A 58 58 ALA N N 58 125.426 121.789 3.637 1
1 661 . 11 1 1 A 59 59 ARG H H 59 8.104 7.690 0.414 1
1 662 . 11 1 1 A 59 59 ARG HA H 59 4.159 4.322 -0.163 1
1 669 . 11 1 1 A 59 59 ARG C C 59 178.570 179.000 -0.430 1
1 670 . 11 1 1 A 59 59 ARG CA C 59 59.916 59.802 0.114 1
1 671 . 11 1 1 A 59 59 ARG CB C 59 31.344 29.948 1.396 1
1 674 . 11 1 1 A 59 59 ARG N N 59 117.308 117.398 -0.090 1
1 675 . 11 1 1 A 60 60 GLN H H 60 7.532 7.846 -0.314 1
1 676 . 11 1 1 A 60 60 GLN HA H 60 4.118 4.095 0.023 1
1 683 . 11 1 1 A 60 60 GLN C C 60 178.036 179.028 -0.992 1
1 684 . 11 1 1 A 60 60 GLN CA C 60 58.021 58.585 -0.564 1
1 685 . 11 1 1 A 60 60 GLN CB C 60 28.460 28.234 0.226 1
1 687 . 11 1 1 A 60 60 GLN N N 60 118.195 118.592 -0.397 1
1 689 . 11 1 1 A 61 61 LYS H H 61 7.738 8.243 -0.505 1
1 690 . 11 1 1 A 61 61 LYS HA H 61 4.038 3.965 0.073 1
1 699 . 11 1 1 A 61 61 LYS C C 61 177.454 179.018 -1.564 1
1 700 . 11 1 1 A 61 61 LYS CA C 61 57.938 59.169 -1.231 1
1 701 . 11 1 1 A 61 61 LYS CB C 61 32.497 32.013 0.484 1
1 705 . 11 1 1 A 61 61 LYS N N 61 119.476 119.270 0.206 1
1 706 . 11 1 1 A 62 62 ALA H H 62 7.699 7.759 -0.060 1
1 707 . 11 1 1 A 62 62 ALA HA H 62 4.265 4.140 0.125 1
1 711 . 11 1 1 A 62 62 ALA C C 62 177.818 178.409 -0.591 1
1 712 . 11 1 1 A 62 62 ALA CA C 62 52.945 54.973 -2.028 1
1 713 . 11 1 1 A 62 62 ALA CB C 62 18.904 18.269 0.635 1
1 714 . 11 1 1 A 62 62 ALA N N 62 121.322 120.813 0.509 1
1 715 . 11 1 1 A 63 63 ARG H H 63 7.831 7.219 0.612 1
1 716 . 11 1 1 A 63 63 ARG HA H 63 4.237 4.277 -0.040 1
1 722 . 11 1 1 A 63 63 ARG C C 63 176.580 176.060 0.520 1
1 723 . 11 1 1 A 63 63 ARG CA C 63 56.717 56.858 -0.141 1
1 724 . 11 1 1 A 63 63 ARG CB C 63 30.124 30.712 -0.588 1
1 727 . 11 1 1 A 63 63 ARG N N 63 118.592 117.925 0.667 1
1 728 . 11 1 1 A 64 64 LYS H H 64 8.213 8.678 -0.465 1
1 729 . 11 1 1 A 64 64 LYS HA H 64 4.365 4.418 -0.053 1
1 738 . 11 1 1 A 64 64 LYS C C 64 176.677 176.149 0.528 1
1 739 . 11 1 1 A 64 64 LYS CA C 64 56.329 56.752 -0.423 1
1 740 . 11 1 1 A 64 64 LYS CB C 64 32.906 33.280 -0.374 1
1 744 . 11 1 1 A 64 64 LYS N N 64 121.456 124.873 -3.417 1
1 745 . 11 1 1 A 65 65 SER H H 65 8.289 8.609 -0.320 1
1 746 . 11 1 1 A 65 65 SER HA H 65 4.510 5.182 -0.672 1
1 749 . 11 1 1 A 65 65 SER C C 65 174.492 173.163 1.329 1
1 750 . 11 1 1 A 65 65 SER CA C 65 58.303 57.363 0.940 1
1 751 . 11 1 1 A 65 65 SER CB C 65 64.052 65.650 -1.598 1
1 752 . 11 1 1 A 65 65 SER N N 65 116.719 118.621 -1.902 1
1 753 . 11 1 1 A 66 66 GLY H H 66 8.242 8.389 -0.147 1
1 754 . 11 1 1 A 66 66 GLY HA2 H 66 4.120 4.151 -0.031 1
1 755 . 11 1 1 A 66 66 GLY HA3 H 66 4.148 4.151 -0.003 1
1 756 . 11 1 1 A 66 66 GLY C C 66 171.798 172.749 -0.951 1
1 757 . 11 1 1 A 66 66 GLY CA C 66 44.687 44.527 0.160 1
1 758 . 11 1 1 A 66 66 GLY N N 66 110.632 113.736 -3.104 1
1 759 . 11 1 1 A 67 67 PRO HA H 67 4.458 4.754 -0.296 1
1 766 . 11 1 1 A 67 67 PRO C C 67 177.429 174.989 2.440 1
1 767 . 11 1 1 A 67 67 PRO CA C 67 63.309 62.500 0.809 1
1 768 . 11 1 1 A 67 67 PRO CB C 67 32.200 29.939 2.261 1
1 771 . 11 1 1 A 68 68 SER H H 68 8.535 8.299 0.236 1
1 772 . 11 1 1 A 68 68 SER HA H 68 4.482 4.910 -0.428 1
1 775 . 11 1 1 A 68 68 SER C C 68 174.638 173.203 1.435 1
1 776 . 11 1 1 A 68 68 SER CA C 68 58.444 57.163 1.281 1
1 777 . 11 1 1 A 68 68 SER CB C 68 63.838 64.870 -1.032 1
1 778 . 11 1 1 A 68 68 SER N N 68 116.359 119.755 -3.396 1
1 779 . 11 1 1 A 69 69 SER H H 69 8.300 8.845 -0.545 1
1 780 . 11 1 1 A 69 69 SER HA H 69 4.477 4.510 -0.033 1
1 783 . 11 1 1 A 69 69 SER C C 69 173.934 174.545 -0.611 1
1 784 . 11 1 1 A 69 69 SER CA C 69 58.374 59.882 -1.508 1
1 785 . 11 1 1 A 69 69 SER CB C 69 64.134 64.135 -0.001 1
1 786 . 11 1 1 A 69 69 SER N N 69 117.715 120.537 -2.822 1
1 1 . 12 1 1 A 10 10 SER HA H 10 4.461 4.202 0.259 1
1 4 . 12 1 1 A 10 10 SER C C 10 174.492 174.650 -0.158 1
1 5 . 12 1 1 A 10 10 SER CA C 10 58.479 61.922 -3.443 1
1 6 . 12 1 1 A 10 10 SER CB C 10 63.932 62.972 0.960 1
1 7 . 12 1 1 A 11 11 ARG H H 11 8.318 7.493 0.825 1
1 8 . 12 1 1 A 11 11 ARG HA H 11 4.391 4.714 -0.323 1
1 15 . 12 1 1 A 11 11 ARG C C 11 176.264 174.815 1.449 1
1 16 . 12 1 1 A 11 11 ARG CA C 11 56.118 54.733 1.385 1
1 17 . 12 1 1 A 11 11 ARG CB C 11 30.849 33.147 -2.298 1
1 20 . 12 1 1 A 11 11 ARG N N 11 122.795 115.965 6.830 1
1 21 . 12 1 1 A 12 12 THR H H 12 8.159 8.349 -0.190 1
1 22 . 12 1 1 A 12 12 THR HA H 12 4.150 4.314 -0.164 1
1 27 . 12 1 1 A 12 12 THR C C 12 173.740 173.334 0.406 1
1 28 . 12 1 1 A 12 12 THR CA C 12 62.463 61.374 1.089 1
1 29 . 12 1 1 A 12 12 THR CB C 12 69.770 67.640 2.130 1
1 31 . 12 1 1 A 12 12 THR N N 12 117.261 117.095 0.166 1
1 32 . 12 1 1 A 13 13 ARG H H 13 8.319 7.197 1.122 1
1 33 . 12 1 1 A 13 13 ARG HA H 13 4.332 3.998 0.334 1
1 40 . 12 1 1 A 13 13 ARG C C 13 175.560 176.106 -0.546 1
1 41 . 12 1 1 A 13 13 ARG CA C 13 55.518 57.033 -1.515 1
1 42 . 12 1 1 A 13 13 ARG CB C 13 30.763 30.750 0.013 1
1 45 . 12 1 1 A 13 13 ARG N N 13 125.163 125.121 0.042 1
1 46 . 12 1 1 A 14 14 PHE H H 14 8.195 8.559 -0.364 1
1 47 . 12 1 1 A 14 14 PHE HA H 14 4.952 4.761 0.191 1
1 55 . 12 1 1 A 14 14 PHE C C 14 176.993 175.586 1.407 1
1 56 . 12 1 1 A 14 14 PHE CA C 14 56.859 58.182 -1.323 1
1 57 . 12 1 1 A 14 14 PHE CB C 14 41.107 40.136 0.971 1
1 63 . 12 1 1 A 14 14 PHE N N 14 121.558 126.689 -5.131 1
1 64 . 12 1 1 A 15 15 THR H H 15 8.999 8.487 0.512 1
1 65 . 12 1 1 A 15 15 THR HA H 15 4.491 4.871 -0.380 1
1 70 . 12 1 1 A 15 15 THR C C 15 174.856 175.134 -0.278 1
1 71 . 12 1 1 A 15 15 THR CA C 15 60.559 59.654 0.905 1
1 72 . 12 1 1 A 15 15 THR CB C 15 70.890 70.850 0.040 1
1 74 . 12 1 1 A 15 15 THR N N 15 113.369 115.299 -1.930 1
1 75 . 12 1 1 A 16 16 ASP H H 16 8.906 9.198 -0.292 1
1 76 . 12 1 1 A 16 16 ASP HA H 16 4.333 4.281 0.052 1
1 79 . 12 1 1 A 16 16 ASP C C 16 178.764 177.916 0.848 1
1 80 . 12 1 1 A 16 16 ASP CA C 16 57.911 58.221 -0.310 1
1 81 . 12 1 1 A 16 16 ASP CB C 16 39.994 40.460 -0.466 1
1 82 . 12 1 1 A 16 16 ASP N N 16 120.884 127.103 -6.219 1
1 83 . 12 1 1 A 17 17 TYR H H 17 8.356 8.173 0.183 1
1 84 . 12 1 1 A 17 17 TYR HA H 17 4.211 4.102 0.109 1
1 91 . 12 1 1 A 17 17 TYR C C 17 176.264 177.950 -1.686 1
1 92 . 12 1 1 A 17 17 TYR CA C 17 61.045 61.886 -0.841 1
1 93 . 12 1 1 A 17 17 TYR CB C 17 38.666 38.694 -0.028 1
1 98 . 12 1 1 A 17 17 TYR N N 17 119.909 121.987 -2.078 1
1 99 . 12 1 1 A 18 18 GLN H H 18 7.582 8.213 -0.631 1
1 100 . 12 1 1 A 18 18 GLN HA H 18 3.482 3.550 -0.068 1
1 107 . 12 1 1 A 18 18 GLN C C 18 177.502 178.561 -1.059 1
1 108 . 12 1 1 A 18 18 GLN CA C 18 58.726 58.664 0.062 1
1 109 . 12 1 1 A 18 18 GLN CB C 18 27.717 28.415 -0.698 1
1 111 . 12 1 1 A 18 18 GLN N N 18 116.647 118.322 -1.675 1
1 113 . 12 1 1 A 19 19 LEU H H 19 8.170 8.659 -0.489 1
1 114 . 12 1 1 A 19 19 LEU HA H 19 3.508 3.686 -0.178 1
1 124 . 12 1 1 A 19 19 LEU C C 19 178.546 179.026 -0.480 1
1 125 . 12 1 1 A 19 19 LEU CA C 19 57.625 57.861 -0.236 1
1 126 . 12 1 1 A 19 19 LEU CB C 19 41.812 41.362 0.450 1
1 130 . 12 1 1 A 19 19 LEU N N 19 115.406 119.865 -4.459 1
1 131 . 12 1 1 A 20 20 ARG H H 20 7.792 8.280 -0.488 1
1 132 . 12 1 1 A 20 20 ARG HA H 20 3.917 3.951 -0.034 1
1 138 . 12 1 1 A 20 20 ARG C C 20 178.036 178.691 -0.655 1
1 139 . 12 1 1 A 20 20 ARG CA C 20 59.026 59.134 -0.108 1
1 140 . 12 1 1 A 20 20 ARG CB C 20 29.861 29.903 -0.042 1
1 143 . 12 1 1 A 20 20 ARG N N 20 120.360 120.585 -0.225 1
1 144 . 12 1 1 A 21 21 VAL H H 21 7.601 7.352 0.249 1
1 145 . 12 1 1 A 21 21 VAL HA H 21 3.533 3.573 -0.040 1
1 153 . 12 1 1 A 21 21 VAL C C 21 179.541 178.170 1.371 1
1 154 . 12 1 1 A 21 21 VAL CA C 21 66.327 66.089 0.238 1
1 155 . 12 1 1 A 21 21 VAL CB C 21 31.509 31.567 -0.058 1
1 158 . 12 1 1 A 21 21 VAL N N 21 119.151 118.983 0.168 1
1 159 . 12 1 1 A 22 22 LEU H H 22 7.898 8.200 -0.302 1
1 160 . 12 1 1 A 22 22 LEU HA H 22 3.513 3.798 -0.285 1
1 170 . 12 1 1 A 22 22 LEU C C 22 177.527 178.945 -1.418 1
1 171 . 12 1 1 A 22 22 LEU CA C 22 58.181 58.075 0.106 1
1 172 . 12 1 1 A 22 22 LEU CB C 22 38.573 40.566 -1.993 1
1 176 . 12 1 1 A 22 22 LEU N N 22 119.825 119.380 0.445 1
1 177 . 12 1 1 A 23 23 GLN H H 23 8.171 8.386 -0.215 1
1 178 . 12 1 1 A 23 23 GLN HA H 23 3.925 3.967 -0.042 1
1 185 . 12 1 1 A 23 23 GLN C C 23 178.061 177.310 0.751 1
1 186 . 12 1 1 A 23 23 GLN CA C 23 58.832 58.931 -0.099 1
1 187 . 12 1 1 A 23 23 GLN CB C 23 28.769 28.503 0.266 1
1 189 . 12 1 1 A 23 23 GLN N N 23 118.186 118.192 -0.006 1
1 191 . 12 1 1 A 24 24 ASP H H 24 8.446 8.190 0.256 1
1 192 . 12 1 1 A 24 24 ASP HA H 24 4.373 4.434 -0.061 1
1 195 . 12 1 1 A 24 24 ASP C C 24 179.347 178.610 0.737 1
1 196 . 12 1 1 A 24 24 ASP CA C 24 57.294 57.223 0.071 1
1 197 . 12 1 1 A 24 24 ASP CB C 24 40.035 40.936 -0.901 1
1 198 . 12 1 1 A 24 24 ASP N N 24 118.634 119.632 -0.998 1
1 199 . 12 1 1 A 25 25 PHE H H 25 8.224 8.314 -0.090 1
1 200 . 12 1 1 A 25 25 PHE HA H 25 4.062 4.269 -0.207 1
1 208 . 12 1 1 A 25 25 PHE C C 25 177.891 177.608 0.283 1
1 209 . 12 1 1 A 25 25 PHE CA C 25 61.546 60.848 0.698 1
1 210 . 12 1 1 A 25 25 PHE CB C 25 39.246 39.147 0.099 1
1 216 . 12 1 1 A 25 25 PHE N N 25 121.633 119.827 1.806 1
1 217 . 12 1 1 A 26 26 PHE H H 26 9.167 8.154 1.013 1
1 218 . 12 1 1 A 26 26 PHE HA H 26 4.302 4.565 -0.263 1
1 226 . 12 1 1 A 26 26 PHE C C 26 176.531 176.965 -0.434 1
1 227 . 12 1 1 A 26 26 PHE CA C 26 61.476 61.375 0.101 1
1 228 . 12 1 1 A 26 26 PHE CB C 26 39.471 38.970 0.501 1
1 234 . 12 1 1 A 26 26 PHE N N 26 121.265 119.999 1.266 1
1 235 . 12 1 1 A 27 27 ASP H H 27 8.654 8.432 0.222 1
1 236 . 12 1 1 A 27 27 ASP HA H 27 4.238 4.518 -0.280 1
1 239 . 12 1 1 A 27 27 ASP C C 27 177.429 177.394 0.035 1
1 240 . 12 1 1 A 27 27 ASP CA C 27 56.717 57.329 -0.612 1
1 241 . 12 1 1 A 27 27 ASP CB C 27 40.406 41.854 -1.448 1
1 242 . 12 1 1 A 27 27 ASP N N 27 116.555 119.337 -2.782 1
1 243 . 12 1 1 A 28 28 ALA H H 28 7.262 7.750 -0.488 1
1 244 . 12 1 1 A 28 28 ALA HA H 28 4.316 4.287 0.029 1
1 248 . 12 1 1 A 28 28 ALA C C 28 177.891 177.403 0.488 1
1 249 . 12 1 1 A 28 28 ALA CA C 28 52.839 53.272 -0.433 1
1 250 . 12 1 1 A 28 28 ALA CB C 28 19.698 20.053 -0.355 1
1 251 . 12 1 1 A 28 28 ALA N N 28 120.441 119.417 1.024 1
1 252 . 12 1 1 A 29 29 ASN H H 29 8.346 8.285 0.061 1
1 253 . 12 1 1 A 29 29 ASN HA H 29 4.432 4.815 -0.383 1
1 258 . 12 1 1 A 29 29 ASN C C 29 172.259 174.310 -2.051 1
1 259 . 12 1 1 A 29 29 ASN CA C 29 52.943 52.272 0.671 1
1 260 . 12 1 1 A 29 29 ASN CB C 29 38.435 41.131 -2.696 1
1 261 . 12 1 1 A 29 29 ASN N N 29 118.701 114.659 4.042 1
1 263 . 12 1 1 A 30 30 ALA H H 30 8.177 8.053 0.124 1
1 264 . 12 1 1 A 30 30 ALA HA H 30 4.010 4.640 -0.630 1
1 268 . 12 1 1 A 30 30 ALA C C 30 176.798 176.728 0.070 1
1 269 . 12 1 1 A 30 30 ALA CA C 30 52.980 50.747 2.233 1
1 270 . 12 1 1 A 30 30 ALA CB C 30 19.233 19.325 -0.092 1
1 271 . 12 1 1 A 30 30 ALA N N 30 124.112 127.932 -3.820 1
1 272 . 12 1 1 A 31 31 TYR H H 31 7.984 7.512 0.472 1
1 273 . 12 1 1 A 31 31 TYR HA H 31 4.672 5.149 -0.477 1
1 280 . 12 1 1 A 31 31 TYR C C 31 172.283 173.154 -0.871 1
1 281 . 12 1 1 A 31 31 TYR CA C 31 55.483 55.617 -0.134 1
1 282 . 12 1 1 A 31 31 TYR CB C 31 39.058 38.328 0.730 1
1 287 . 12 1 1 A 31 31 TYR N N 31 115.568 117.724 -2.156 1
1 288 . 12 1 1 A 32 32 PRO HA H 32 4.249 4.685 -0.436 1
1 295 . 12 1 1 A 32 32 PRO C C 32 176.871 176.593 0.278 1
1 296 . 12 1 1 A 32 32 PRO CA C 32 62.710 62.943 -0.233 1
1 297 . 12 1 1 A 32 32 PRO CB C 32 29.959 32.641 -2.682 1
1 300 . 12 1 1 A 33 33 LYS H H 33 9.168 8.650 0.518 1
1 301 . 12 1 1 A 33 33 LYS HA H 33 4.426 4.819 -0.393 1
1 310 . 12 1 1 A 33 33 LYS C C 33 178.061 178.039 0.022 1
1 311 . 12 1 1 A 33 33 LYS CA C 33 55.236 55.018 0.218 1
1 312 . 12 1 1 A 33 33 LYS CB C 33 33.980 34.223 -0.243 1
1 316 . 12 1 1 A 33 33 LYS N N 33 121.451 121.210 0.241 1
1 317 . 12 1 1 A 34 34 ASP H H 34 9.017 8.884 0.133 1
1 318 . 12 1 1 A 34 34 ASP HA H 34 4.566 4.277 0.289 1
1 321 . 12 1 1 A 34 34 ASP C C 34 179.007 178.021 0.986 1
1 322 . 12 1 1 A 34 34 ASP CA C 34 58.973 57.914 1.059 1
1 323 . 12 1 1 A 34 34 ASP CB C 34 39.834 40.396 -0.562 1
1 324 . 12 1 1 A 34 34 ASP N N 34 122.268 121.788 0.480 1
1 325 . 12 1 1 A 35 35 ASP H H 35 8.955 8.252 0.703 1
1 326 . 12 1 1 A 35 35 ASP HA H 35 4.408 4.317 0.091 1
1 329 . 12 1 1 A 35 35 ASP C C 35 178.837 178.693 0.144 1
1 330 . 12 1 1 A 35 35 ASP CA C 35 56.611 57.986 -1.375 1
1 331 . 12 1 1 A 35 35 ASP CB C 35 39.609 41.616 -2.007 1
1 332 . 12 1 1 A 35 35 ASP N N 35 116.861 119.392 -2.531 1
1 333 . 12 1 1 A 36 36 GLU H H 36 7.208 8.047 -0.839 1
1 334 . 12 1 1 A 36 36 GLU HA H 36 4.051 4.020 0.031 1
1 339 . 12 1 1 A 36 36 GLU C C 36 179.226 179.063 0.163 1
1 340 . 12 1 1 A 36 36 GLU CA C 36 58.761 59.130 -0.369 1
1 341 . 12 1 1 A 36 36 GLU CB C 36 29.689 29.342 0.347 1
1 343 . 12 1 1 A 36 36 GLU N N 36 121.585 118.616 2.969 1
1 344 . 12 1 1 A 37 37 PHE H H 37 7.997 8.570 -0.573 1
1 345 . 12 1 1 A 37 37 PHE HA H 37 4.164 3.973 0.191 1
1 353 . 12 1 1 A 37 37 PHE C C 37 178.400 178.162 0.238 1
1 354 . 12 1 1 A 37 37 PHE CA C 37 61.915 61.291 0.624 1
1 355 . 12 1 1 A 37 37 PHE CB C 37 38.320 38.197 0.123 1
1 361 . 12 1 1 A 37 37 PHE N N 37 118.258 119.112 -0.854 1
1 362 . 12 1 1 A 38 38 GLU H H 38 7.806 8.313 -0.507 1
1 363 . 12 1 1 A 38 38 GLU HA H 38 4.027 3.982 0.045 1
1 368 . 12 1 1 A 38 38 GLU C C 38 178.764 179.193 -0.429 1
1 369 . 12 1 1 A 38 38 GLU CA C 38 59.325 60.032 -0.707 1
1 370 . 12 1 1 A 38 38 GLU CB C 38 29.083 29.297 -0.214 1
1 372 . 12 1 1 A 38 38 GLU N N 38 118.433 119.073 -0.640 1
1 373 . 12 1 1 A 39 39 GLN H H 39 7.845 8.126 -0.281 1
1 374 . 12 1 1 A 39 39 GLN HA H 39 4.149 3.834 0.315 1
1 381 . 12 1 1 A 39 39 GLN C C 39 179.541 178.962 0.579 1
1 382 . 12 1 1 A 39 39 GLN CA C 39 59.184 59.224 -0.040 1
1 383 . 12 1 1 A 39 39 GLN CB C 39 28.097 28.208 -0.111 1
1 385 . 12 1 1 A 39 39 GLN N N 39 119.859 118.767 1.092 1
1 387 . 12 1 1 A 40 40 LEU H H 40 8.130 7.469 0.661 1
1 388 . 12 1 1 A 40 40 LEU HA H 40 3.938 4.004 -0.066 1
1 398 . 12 1 1 A 40 40 LEU C C 40 178.158 179.263 -1.105 1
1 399 . 12 1 1 A 40 40 LEU CA C 40 58.092 57.587 0.505 1
1 400 . 12 1 1 A 40 40 LEU CB C 40 43.194 41.163 2.031 1
1 404 . 12 1 1 A 40 40 LEU N N 40 120.785 119.641 1.144 1
1 405 . 12 1 1 A 41 41 SER H H 41 8.241 8.431 -0.190 1
1 406 . 12 1 1 A 41 41 SER HA H 41 4.251 4.148 0.103 1
1 409 . 12 1 1 A 41 41 SER C C 41 177.891 177.244 0.647 1
1 410 . 12 1 1 A 41 41 SER CA C 41 61.194 61.408 -0.214 1
1 411 . 12 1 1 A 41 41 SER CB C 41 63.501 62.392 1.109 1
1 412 . 12 1 1 A 41 41 SER N N 41 114.804 113.873 0.931 1
1 413 . 12 1 1 A 42 42 ASN H H 42 7.969 7.991 -0.022 1
1 414 . 12 1 1 A 42 42 ASN HA H 42 4.515 4.612 -0.097 1
1 419 . 12 1 1 A 42 42 ASN C C 42 177.381 177.989 -0.608 1
1 420 . 12 1 1 A 42 42 ASN CA C 42 55.871 56.238 -0.367 1
1 421 . 12 1 1 A 42 42 ASN CB C 42 38.920 38.722 0.198 1
1 422 . 12 1 1 A 42 42 ASN N N 42 118.051 121.020 -2.969 1
1 424 . 12 1 1 A 43 43 LEU H H 43 8.169 7.524 0.645 1
1 425 . 12 1 1 A 43 43 LEU HA H 43 4.189 4.100 0.089 1
1 435 . 12 1 1 A 43 43 LEU C C 43 178.837 178.714 0.123 1
1 436 . 12 1 1 A 43 43 LEU CA C 43 57.845 58.173 -0.328 1
1 437 . 12 1 1 A 43 43 LEU CB C 43 43.382 42.120 1.262 1
1 441 . 12 1 1 A 43 43 LEU N N 43 120.419 121.251 -0.832 1
1 442 . 12 1 1 A 44 44 LEU H H 44 8.185 7.983 0.202 1
1 443 . 12 1 1 A 44 44 LEU HA H 44 4.445 4.146 0.299 1
1 453 . 12 1 1 A 44 44 LEU C C 44 176.677 176.036 0.641 1
1 454 . 12 1 1 A 44 44 LEU CA C 44 54.397 55.138 -0.741 1
1 455 . 12 1 1 A 44 44 LEU CB C 44 43.111 42.052 1.059 1
1 459 . 12 1 1 A 44 44 LEU N N 44 113.030 118.347 -5.317 1
1 460 . 12 1 1 A 45 45 ASN H H 45 8.100 8.011 0.089 1
1 461 . 12 1 1 A 45 45 ASN HA H 45 4.440 4.511 -0.071 1
1 466 . 12 1 1 A 45 45 ASN C C 45 174.395 173.727 0.668 1
1 467 . 12 1 1 A 45 45 ASN CA C 45 54.073 54.491 -0.418 1
1 468 . 12 1 1 A 45 45 ASN CB C 45 36.970 36.859 0.111 1
1 469 . 12 1 1 A 45 45 ASN N N 45 117.438 115.446 1.992 1
1 471 . 12 1 1 A 46 46 LEU H H 46 7.476 7.750 -0.274 1
1 472 . 12 1 1 A 46 46 LEU HA H 46 4.980 4.789 0.191 1
1 482 . 12 1 1 A 46 46 LEU C C 46 173.691 174.638 -0.947 1
1 483 . 12 1 1 A 46 46 LEU CA C 46 51.032 51.764 -0.732 1
1 484 . 12 1 1 A 46 46 LEU CB C 46 46.668 43.272 3.396 1
1 488 . 12 1 1 A 46 46 LEU N N 46 117.604 119.432 -1.828 1
1 489 . 12 1 1 A 47 47 PRO HA H 47 4.515 4.667 -0.152 1
1 496 . 12 1 1 A 47 47 PRO C C 47 177.915 177.629 0.286 1
1 497 . 12 1 1 A 47 47 PRO CA C 47 62.392 62.870 -0.478 1
1 498 . 12 1 1 A 47 47 PRO CB C 47 32.592 31.878 0.714 1
1 501 . 12 1 1 A 48 48 THR H H 48 8.818 8.673 0.145 1
1 502 . 12 1 1 A 48 48 THR HA H 48 3.590 3.993 -0.403 1
1 507 . 12 1 1 A 48 48 THR C C 48 176.628 175.907 0.721 1
1 508 . 12 1 1 A 48 48 THR CA C 48 67.384 65.440 1.944 1
1 509 . 12 1 1 A 48 48 THR CB C 48 67.996 68.434 -0.438 1
1 511 . 12 1 1 A 48 48 THR N N 48 120.240 118.494 1.746 1
1 512 . 12 1 1 A 49 49 ARG H H 49 8.750 8.302 0.448 1
1 513 . 12 1 1 A 49 49 ARG HA H 49 3.899 4.065 -0.166 1
1 520 . 12 1 1 A 49 49 ARG C C 49 178.012 178.385 -0.373 1
1 521 . 12 1 1 A 49 49 ARG CA C 49 59.079 58.646 0.433 1
1 522 . 12 1 1 A 49 49 ARG CB C 49 29.474 30.096 -0.622 1
1 525 . 12 1 1 A 49 49 ARG N N 49 117.541 120.808 -3.267 1
1 526 . 12 1 1 A 50 50 VAL H H 50 6.994 8.072 -1.078 1
1 527 . 12 1 1 A 50 50 VAL HA H 50 3.885 3.777 0.108 1
1 535 . 12 1 1 A 50 50 VAL C C 50 178.400 178.198 0.202 1
1 536 . 12 1 1 A 50 50 VAL CA C 50 65.099 66.233 -1.134 1
1 537 . 12 1 1 A 50 50 VAL CB C 50 31.909 31.741 0.168 1
1 540 . 12 1 1 A 50 50 VAL N N 50 115.765 120.269 -4.504 1
1 541 . 12 1 1 A 51 51 ILE H H 51 7.358 8.096 -0.738 1
1 542 . 12 1 1 A 51 51 ILE HA H 51 3.814 3.794 0.020 1
1 552 . 12 1 1 A 51 51 ILE C C 51 177.648 178.905 -1.257 1
1 553 . 12 1 1 A 51 51 ILE CA C 51 65.318 64.251 1.067 1
1 554 . 12 1 1 A 51 51 ILE CB C 51 38.017 36.585 1.432 1
1 558 . 12 1 1 A 51 51 ILE N N 51 122.170 120.106 2.064 1
1 559 . 12 1 1 A 52 52 VAL H H 52 8.401 8.547 -0.146 1
1 560 . 12 1 1 A 52 52 VAL HA H 52 3.290 3.766 -0.476 1
1 568 . 12 1 1 A 52 52 VAL C C 52 179.177 178.104 1.073 1
1 569 . 12 1 1 A 52 52 VAL CA C 52 67.021 66.931 0.090 1
1 570 . 12 1 1 A 52 52 VAL CB C 52 31.583 31.652 -0.069 1
1 573 . 12 1 1 A 52 52 VAL N N 52 121.321 121.523 -0.202 1
1 574 . 12 1 1 A 53 53 VAL H H 53 7.691 7.686 0.005 1
1 575 . 12 1 1 A 53 53 VAL HA H 53 3.711 3.801 -0.090 1
1 583 . 12 1 1 A 53 53 VAL C C 53 177.648 178.279 -0.631 1
1 584 . 12 1 1 A 53 53 VAL CA C 53 66.531 66.453 0.078 1
1 585 . 12 1 1 A 53 53 VAL CB C 53 31.936 31.687 0.249 1
1 588 . 12 1 1 A 53 53 VAL N N 53 119.305 119.279 0.026 1
1 589 . 12 1 1 A 54 54 TRP H H 54 8.127 7.977 0.150 1
1 590 . 12 1 1 A 54 54 TRP HA H 54 4.016 4.366 -0.350 1
1 599 . 12 1 1 A 54 54 TRP C C 54 180.100 178.391 1.709 1
1 600 . 12 1 1 A 54 54 TRP CA C 54 63.534 61.468 2.066 1
1 601 . 12 1 1 A 54 54 TRP CB C 54 28.747 29.834 -1.087 1
1 607 . 12 1 1 A 54 54 TRP N N 54 122.197 121.674 0.523 1
1 609 . 12 1 1 A 55 55 PHE H H 55 8.964 8.737 0.227 1
1 610 . 12 1 1 A 55 55 PHE HA H 55 3.843 4.481 -0.638 1
1 618 . 12 1 1 A 55 55 PHE C C 55 178.158 178.508 -0.350 1
1 619 . 12 1 1 A 55 55 PHE CA C 55 63.309 62.737 0.572 1
1 620 . 12 1 1 A 55 55 PHE CB C 55 39.818 39.167 0.651 1
1 626 . 12 1 1 A 55 55 PHE N N 55 119.663 118.645 1.018 1
1 627 . 12 1 1 A 56 56 GLN H H 56 8.412 8.828 -0.416 1
1 628 . 12 1 1 A 56 56 GLN HA H 56 3.984 4.028 -0.044 1
1 635 . 12 1 1 A 56 56 GLN C C 56 179.420 179.153 0.267 1
1 636 . 12 1 1 A 56 56 GLN CA C 56 59.678 59.307 0.371 1
1 637 . 12 1 1 A 56 56 GLN CB C 56 27.981 28.270 -0.289 1
1 639 . 12 1 1 A 56 56 GLN N N 56 118.932 118.034 0.898 1
1 641 . 12 1 1 A 57 57 ASN H H 57 8.358 7.947 0.411 1
1 642 . 12 1 1 A 57 57 ASN HA H 57 4.302 4.483 -0.181 1
1 647 . 12 1 1 A 57 57 ASN C C 57 177.308 177.595 -0.287 1
1 648 . 12 1 1 A 57 57 ASN CA C 57 55.836 56.120 -0.284 1
1 649 . 12 1 1 A 57 57 ASN CB C 57 38.123 38.455 -0.332 1
1 650 . 12 1 1 A 57 57 ASN N N 57 118.552 118.593 -0.041 1
1 652 . 12 1 1 A 58 58 ALA H H 58 8.097 7.804 0.293 1
1 653 . 12 1 1 A 58 58 ALA HA H 58 3.280 3.511 -0.231 1
1 657 . 12 1 1 A 58 58 ALA C C 58 180.512 180.002 0.510 1
1 658 . 12 1 1 A 58 58 ALA CA C 58 54.711 54.740 -0.029 1
1 659 . 12 1 1 A 58 58 ALA CB C 58 16.685 17.466 -0.781 1
1 660 . 12 1 1 A 58 58 ALA N N 58 125.426 121.745 3.681 1
1 661 . 12 1 1 A 59 59 ARG H H 59 8.104 7.673 0.431 1
1 662 . 12 1 1 A 59 59 ARG HA H 59 4.159 4.323 -0.164 1
1 669 . 12 1 1 A 59 59 ARG C C 59 178.570 179.294 -0.724 1
1 670 . 12 1 1 A 59 59 ARG CA C 59 59.916 59.909 0.007 1
1 671 . 12 1 1 A 59 59 ARG CB C 59 31.344 30.080 1.264 1
1 674 . 12 1 1 A 59 59 ARG N N 59 117.308 117.464 -0.156 1
1 675 . 12 1 1 A 60 60 GLN H H 60 7.532 8.037 -0.505 1
1 676 . 12 1 1 A 60 60 GLN HA H 60 4.118 4.009 0.109 1
1 683 . 12 1 1 A 60 60 GLN C C 60 178.036 178.909 -0.873 1
1 684 . 12 1 1 A 60 60 GLN CA C 60 58.021 58.833 -0.812 1
1 685 . 12 1 1 A 60 60 GLN CB C 60 28.460 28.409 0.051 1
1 687 . 12 1 1 A 60 60 GLN N N 60 118.195 118.412 -0.217 1
1 689 . 12 1 1 A 61 61 LYS H H 61 7.738 7.985 -0.247 1
1 690 . 12 1 1 A 61 61 LYS HA H 61 4.038 3.982 0.056 1
1 699 . 12 1 1 A 61 61 LYS C C 61 177.454 179.241 -1.787 1
1 700 . 12 1 1 A 61 61 LYS CA C 61 57.938 59.280 -1.342 1
1 701 . 12 1 1 A 61 61 LYS CB C 61 32.497 32.304 0.193 1
1 705 . 12 1 1 A 61 61 LYS N N 61 119.476 119.138 0.338 1
1 706 . 12 1 1 A 62 62 ALA H H 62 7.699 8.218 -0.519 1
1 707 . 12 1 1 A 62 62 ALA HA H 62 4.265 4.146 0.119 1
1 711 . 12 1 1 A 62 62 ALA C C 62 177.818 178.360 -0.542 1
1 712 . 12 1 1 A 62 62 ALA CA C 62 52.945 55.113 -2.168 1
1 713 . 12 1 1 A 62 62 ALA CB C 62 18.904 18.242 0.662 1
1 714 . 12 1 1 A 62 62 ALA N N 62 121.322 120.937 0.385 1
1 715 . 12 1 1 A 63 63 ARG H H 63 7.831 7.551 0.280 1
1 716 . 12 1 1 A 63 63 ARG HA H 63 4.237 4.306 -0.069 1
1 722 . 12 1 1 A 63 63 ARG C C 63 176.580 177.566 -0.986 1
1 723 . 12 1 1 A 63 63 ARG CA C 63 56.717 56.675 0.042 1
1 724 . 12 1 1 A 63 63 ARG CB C 63 30.124 30.454 -0.330 1
1 727 . 12 1 1 A 63 63 ARG N N 63 118.592 117.923 0.669 1
1 728 . 12 1 1 A 64 64 LYS H H 64 8.213 8.877 -0.664 1
1 729 . 12 1 1 A 64 64 LYS HA H 64 4.365 3.925 0.440 1
1 738 . 12 1 1 A 64 64 LYS C C 64 176.677 176.044 0.633 1
1 739 . 12 1 1 A 64 64 LYS CA C 64 56.329 59.762 -3.433 1
1 740 . 12 1 1 A 64 64 LYS CB C 64 32.906 32.328 0.578 1
1 744 . 12 1 1 A 64 64 LYS N N 64 121.456 126.884 -5.428 1
1 745 . 12 1 1 A 65 65 SER H H 65 8.289 7.899 0.390 1
1 746 . 12 1 1 A 65 65 SER HA H 65 4.510 4.950 -0.440 1
1 749 . 12 1 1 A 65 65 SER C C 65 174.492 173.562 0.930 1
1 750 . 12 1 1 A 65 65 SER CA C 65 58.303 56.688 1.615 1
1 751 . 12 1 1 A 65 65 SER CB C 65 64.052 66.208 -2.156 1
1 752 . 12 1 1 A 65 65 SER N N 65 116.719 110.239 6.480 1
1 753 . 12 1 1 A 66 66 GLY H H 66 8.242 8.150 0.092 1
1 754 . 12 1 1 A 66 66 GLY HA2 H 66 4.120 4.201 -0.081 1
1 755 . 12 1 1 A 66 66 GLY HA3 H 66 4.148 4.203 -0.055 1
1 756 . 12 1 1 A 66 66 GLY C C 66 171.798 174.251 -2.453 1
1 757 . 12 1 1 A 66 66 GLY CA C 66 44.687 45.289 -0.602 1
1 758 . 12 1 1 A 66 66 GLY N N 66 110.632 108.196 2.436 1
1 759 . 12 1 1 A 67 67 PRO HA H 67 4.458 4.485 -0.027 1
1 766 . 12 1 1 A 67 67 PRO C C 67 177.429 175.488 1.941 1
1 767 . 12 1 1 A 67 67 PRO CA C 67 63.309 64.096 -0.787 1
1 768 . 12 1 1 A 67 67 PRO CB C 67 32.200 31.875 0.325 1
1 771 . 12 1 1 A 68 68 SER H H 68 8.535 7.360 1.175 1
1 772 . 12 1 1 A 68 68 SER HA H 68 4.482 4.868 -0.386 1
1 775 . 12 1 1 A 68 68 SER C C 68 174.638 172.399 2.239 1
1 776 . 12 1 1 A 68 68 SER CA C 68 58.444 57.200 1.244 1
1 777 . 12 1 1 A 68 68 SER CB C 68 63.838 65.836 -1.998 1
1 778 . 12 1 1 A 68 68 SER N N 68 116.359 109.866 6.493 1
1 779 . 12 1 1 A 69 69 SER H H 69 8.300 8.748 -0.448 1
1 780 . 12 1 1 A 69 69 SER HA H 69 4.477 4.672 -0.195 1
1 783 . 12 1 1 A 69 69 SER C C 69 173.934 173.723 0.211 1
1 784 . 12 1 1 A 69 69 SER CA C 69 58.374 56.984 1.390 1
1 785 . 12 1 1 A 69 69 SER CB C 69 64.134 63.629 0.505 1
1 786 . 12 1 1 A 69 69 SER N N 69 117.715 119.290 -1.575 1
1 1 . 13 1 1 A 10 10 SER HA H 10 4.461 4.873 -0.412 1
1 4 . 13 1 1 A 10 10 SER C C 10 174.492 172.845 1.647 1
1 5 . 13 1 1 A 10 10 SER CA C 10 58.479 56.760 1.719 1
1 6 . 13 1 1 A 10 10 SER CB C 10 63.932 63.861 0.071 1
1 7 . 13 1 1 A 11 11 ARG H H 11 8.318 8.978 -0.660 1
1 8 . 13 1 1 A 11 11 ARG HA H 11 4.391 4.739 -0.348 1
1 15 . 13 1 1 A 11 11 ARG C C 11 176.264 174.786 1.478 1
1 16 . 13 1 1 A 11 11 ARG CA C 11 56.118 54.953 1.165 1
1 17 . 13 1 1 A 11 11 ARG CB C 11 30.849 30.659 0.190 1
1 20 . 13 1 1 A 11 11 ARG N N 11 122.795 130.058 -7.263 1
1 21 . 13 1 1 A 12 12 THR H H 12 8.159 8.575 -0.416 1
1 22 . 13 1 1 A 12 12 THR HA H 12 4.150 4.227 -0.077 1
1 27 . 13 1 1 A 12 12 THR C C 12 173.740 173.754 -0.014 1
1 28 . 13 1 1 A 12 12 THR CA C 12 62.463 63.892 -1.429 1
1 29 . 13 1 1 A 12 12 THR CB C 12 69.770 69.253 0.517 1
1 31 . 13 1 1 A 12 12 THR N N 12 117.261 120.502 -3.241 1
1 32 . 13 1 1 A 13 13 ARG H H 13 8.319 8.508 -0.189 1
1 33 . 13 1 1 A 13 13 ARG HA H 13 4.332 4.827 -0.495 1
1 40 . 13 1 1 A 13 13 ARG C C 13 175.560 174.883 0.677 1
1 41 . 13 1 1 A 13 13 ARG CA C 13 55.518 54.559 0.959 1
1 42 . 13 1 1 A 13 13 ARG CB C 13 30.763 31.579 -0.816 1
1 45 . 13 1 1 A 13 13 ARG N N 13 125.163 126.424 -1.261 1
1 46 . 13 1 1 A 14 14 PHE H H 14 8.195 9.262 -1.067 1
1 47 . 13 1 1 A 14 14 PHE HA H 14 4.952 4.925 0.027 1
1 55 . 13 1 1 A 14 14 PHE C C 14 176.993 175.591 1.402 1
1 56 . 13 1 1 A 14 14 PHE CA C 14 56.859 57.181 -0.322 1
1 57 . 13 1 1 A 14 14 PHE CB C 14 41.107 41.530 -0.423 1
1 63 . 13 1 1 A 14 14 PHE N N 14 121.558 126.543 -4.985 1
1 64 . 13 1 1 A 15 15 THR H H 15 8.999 9.015 -0.016 1
1 65 . 13 1 1 A 15 15 THR HA H 15 4.491 4.788 -0.297 1
1 70 . 13 1 1 A 15 15 THR C C 15 174.856 175.755 -0.899 1
1 71 . 13 1 1 A 15 15 THR CA C 15 60.559 60.270 0.289 1
1 72 . 13 1 1 A 15 15 THR CB C 15 70.890 71.435 -0.545 1
1 74 . 13 1 1 A 15 15 THR N N 15 113.369 113.618 -0.249 1
1 75 . 13 1 1 A 16 16 ASP H H 16 8.906 9.102 -0.196 1
1 76 . 13 1 1 A 16 16 ASP HA H 16 4.333 4.285 0.048 1
1 79 . 13 1 1 A 16 16 ASP C C 16 178.764 178.306 0.458 1
1 80 . 13 1 1 A 16 16 ASP CA C 16 57.911 58.020 -0.109 1
1 81 . 13 1 1 A 16 16 ASP CB C 16 39.994 40.208 -0.214 1
1 82 . 13 1 1 A 16 16 ASP N N 16 120.884 122.261 -1.377 1
1 83 . 13 1 1 A 17 17 TYR H H 17 8.356 8.373 -0.017 1
1 84 . 13 1 1 A 17 17 TYR HA H 17 4.211 4.126 0.085 1
1 91 . 13 1 1 A 17 17 TYR C C 17 176.264 177.965 -1.701 1
1 92 . 13 1 1 A 17 17 TYR CA C 17 61.045 61.238 -0.193 1
1 93 . 13 1 1 A 17 17 TYR CB C 17 38.666 38.577 0.089 1
1 98 . 13 1 1 A 17 17 TYR N N 17 119.909 123.430 -3.521 1
1 99 . 13 1 1 A 18 18 GLN H H 18 7.582 8.045 -0.463 1
1 100 . 13 1 1 A 18 18 GLN HA H 18 3.482 4.016 -0.534 1
1 107 . 13 1 1 A 18 18 GLN C C 18 177.502 178.842 -1.340 1
1 108 . 13 1 1 A 18 18 GLN CA C 18 58.726 59.046 -0.320 1
1 109 . 13 1 1 A 18 18 GLN CB C 18 27.717 28.716 -0.999 1
1 111 . 13 1 1 A 18 18 GLN N N 18 116.647 119.084 -2.437 1
1 113 . 13 1 1 A 19 19 LEU H H 19 8.170 8.730 -0.560 1
1 114 . 13 1 1 A 19 19 LEU HA H 19 3.508 3.656 -0.148 1
1 124 . 13 1 1 A 19 19 LEU C C 19 178.546 178.879 -0.333 1
1 125 . 13 1 1 A 19 19 LEU CA C 19 57.625 57.897 -0.272 1
1 126 . 13 1 1 A 19 19 LEU CB C 19 41.812 41.646 0.166 1
1 130 . 13 1 1 A 19 19 LEU N N 19 115.406 119.877 -4.471 1
1 131 . 13 1 1 A 20 20 ARG H H 20 7.792 7.501 0.291 1
1 132 . 13 1 1 A 20 20 ARG HA H 20 3.917 3.938 -0.021 1
1 138 . 13 1 1 A 20 20 ARG C C 20 178.036 178.692 -0.656 1
1 139 . 13 1 1 A 20 20 ARG CA C 20 59.026 59.087 -0.061 1
1 140 . 13 1 1 A 20 20 ARG CB C 20 29.861 29.619 0.242 1
1 143 . 13 1 1 A 20 20 ARG N N 20 120.360 120.007 0.353 1
1 144 . 13 1 1 A 21 21 VAL H H 21 7.601 7.372 0.229 1
1 145 . 13 1 1 A 21 21 VAL HA H 21 3.533 3.528 0.005 1
1 153 . 13 1 1 A 21 21 VAL C C 21 179.541 178.297 1.244 1
1 154 . 13 1 1 A 21 21 VAL CA C 21 66.327 66.063 0.264 1
1 155 . 13 1 1 A 21 21 VAL CB C 21 31.509 31.624 -0.115 1
1 158 . 13 1 1 A 21 21 VAL N N 21 119.151 118.759 0.392 1
1 159 . 13 1 1 A 22 22 LEU H H 22 7.898 8.209 -0.311 1
1 160 . 13 1 1 A 22 22 LEU HA H 22 3.513 3.833 -0.320 1
1 170 . 13 1 1 A 22 22 LEU C C 22 177.527 179.224 -1.697 1
1 171 . 13 1 1 A 22 22 LEU CA C 22 58.181 57.930 0.251 1
1 172 . 13 1 1 A 22 22 LEU CB C 22 38.573 40.561 -1.988 1
1 176 . 13 1 1 A 22 22 LEU N N 22 119.825 119.470 0.355 1
1 177 . 13 1 1 A 23 23 GLN H H 23 8.171 8.431 -0.260 1
1 178 . 13 1 1 A 23 23 GLN HA H 23 3.925 3.971 -0.046 1
1 185 . 13 1 1 A 23 23 GLN C C 23 178.061 177.552 0.509 1
1 186 . 13 1 1 A 23 23 GLN CA C 23 58.832 58.967 -0.135 1
1 187 . 13 1 1 A 23 23 GLN CB C 23 28.769 28.568 0.201 1
1 189 . 13 1 1 A 23 23 GLN N N 23 118.186 118.117 0.069 1
1 191 . 13 1 1 A 24 24 ASP H H 24 8.446 8.182 0.264 1
1 192 . 13 1 1 A 24 24 ASP HA H 24 4.373 4.380 -0.007 1
1 195 . 13 1 1 A 24 24 ASP C C 24 179.347 178.549 0.798 1
1 196 . 13 1 1 A 24 24 ASP CA C 24 57.294 57.177 0.117 1
1 197 . 13 1 1 A 24 24 ASP CB C 24 40.035 41.392 -1.357 1
1 198 . 13 1 1 A 24 24 ASP N N 24 118.634 119.423 -0.789 1
1 199 . 13 1 1 A 25 25 PHE H H 25 8.224 8.333 -0.109 1
1 200 . 13 1 1 A 25 25 PHE HA H 25 4.062 4.275 -0.213 1
1 208 . 13 1 1 A 25 25 PHE C C 25 177.891 177.681 0.210 1
1 209 . 13 1 1 A 25 25 PHE CA C 25 61.546 61.007 0.539 1
1 210 . 13 1 1 A 25 25 PHE CB C 25 39.246 39.163 0.083 1
1 216 . 13 1 1 A 25 25 PHE N N 25 121.633 120.043 1.590 1
1 217 . 13 1 1 A 26 26 PHE H H 26 9.167 8.223 0.944 1
1 218 . 13 1 1 A 26 26 PHE HA H 26 4.302 4.570 -0.268 1
1 226 . 13 1 1 A 26 26 PHE C C 26 176.531 176.967 -0.436 1
1 227 . 13 1 1 A 26 26 PHE CA C 26 61.476 61.428 0.048 1
1 228 . 13 1 1 A 26 26 PHE CB C 26 39.471 38.738 0.733 1
1 234 . 13 1 1 A 26 26 PHE N N 26 121.265 120.018 1.247 1
1 235 . 13 1 1 A 27 27 ASP H H 27 8.654 8.466 0.188 1
1 236 . 13 1 1 A 27 27 ASP HA H 27 4.238 4.444 -0.206 1
1 239 . 13 1 1 A 27 27 ASP C C 27 177.429 177.379 0.050 1
1 240 . 13 1 1 A 27 27 ASP CA C 27 56.717 57.484 -0.767 1
1 241 . 13 1 1 A 27 27 ASP CB C 27 40.406 42.056 -1.650 1
1 242 . 13 1 1 A 27 27 ASP N N 27 116.555 119.359 -2.804 1
1 243 . 13 1 1 A 28 28 ALA H H 28 7.262 7.171 0.091 1
1 244 . 13 1 1 A 28 28 ALA HA H 28 4.316 4.288 0.028 1
1 248 . 13 1 1 A 28 28 ALA C C 28 177.891 177.400 0.491 1
1 249 . 13 1 1 A 28 28 ALA CA C 28 52.839 53.386 -0.547 1
1 250 . 13 1 1 A 28 28 ALA CB C 28 19.698 19.881 -0.183 1
1 251 . 13 1 1 A 28 28 ALA N N 28 120.441 119.066 1.375 1
1 252 . 13 1 1 A 29 29 ASN H H 29 8.346 8.368 -0.022 1
1 253 . 13 1 1 A 29 29 ASN HA H 29 4.432 5.031 -0.599 1
1 258 . 13 1 1 A 29 29 ASN C C 29 172.259 174.382 -2.123 1
1 259 . 13 1 1 A 29 29 ASN CA C 29 52.943 52.576 0.367 1
1 260 . 13 1 1 A 29 29 ASN CB C 29 38.435 41.396 -2.961 1
1 261 . 13 1 1 A 29 29 ASN N N 29 118.701 114.944 3.757 1
1 263 . 13 1 1 A 30 30 ALA H H 30 8.177 8.617 -0.440 1
1 264 . 13 1 1 A 30 30 ALA HA H 30 4.010 4.730 -0.720 1
1 268 . 13 1 1 A 30 30 ALA C C 30 176.798 176.728 0.070 1
1 269 . 13 1 1 A 30 30 ALA CA C 30 52.980 51.091 1.889 1
1 270 . 13 1 1 A 30 30 ALA CB C 30 19.233 19.544 -0.311 1
1 271 . 13 1 1 A 30 30 ALA N N 30 124.112 127.960 -3.848 1
1 272 . 13 1 1 A 31 31 TYR H H 31 7.984 7.837 0.147 1
1 273 . 13 1 1 A 31 31 TYR HA H 31 4.672 5.174 -0.502 1
1 280 . 13 1 1 A 31 31 TYR C C 31 172.283 173.146 -0.863 1
1 281 . 13 1 1 A 31 31 TYR CA C 31 55.483 55.574 -0.091 1
1 282 . 13 1 1 A 31 31 TYR CB C 31 39.058 38.336 0.722 1
1 287 . 13 1 1 A 31 31 TYR N N 31 115.568 117.744 -2.176 1
1 288 . 13 1 1 A 32 32 PRO HA H 32 4.249 4.716 -0.467 1
1 295 . 13 1 1 A 32 32 PRO C C 32 176.871 176.552 0.319 1
1 296 . 13 1 1 A 32 32 PRO CA C 32 62.710 62.869 -0.159 1
1 297 . 13 1 1 A 32 32 PRO CB C 32 29.959 32.590 -2.631 1
1 300 . 13 1 1 A 33 33 LYS H H 33 9.168 8.709 0.459 1
1 301 . 13 1 1 A 33 33 LYS HA H 33 4.426 4.808 -0.382 1
1 310 . 13 1 1 A 33 33 LYS C C 33 178.061 178.084 -0.023 1
1 311 . 13 1 1 A 33 33 LYS CA C 33 55.236 55.055 0.181 1
1 312 . 13 1 1 A 33 33 LYS CB C 33 33.980 33.943 0.037 1
1 316 . 13 1 1 A 33 33 LYS N N 33 121.451 120.991 0.460 1
1 317 . 13 1 1 A 34 34 ASP H H 34 9.017 8.880 0.137 1
1 318 . 13 1 1 A 34 34 ASP HA H 34 4.566 4.316 0.250 1
1 321 . 13 1 1 A 34 34 ASP C C 34 179.007 178.007 1.000 1
1 322 . 13 1 1 A 34 34 ASP CA C 34 58.973 57.793 1.180 1
1 323 . 13 1 1 A 34 34 ASP CB C 34 39.834 40.369 -0.535 1
1 324 . 13 1 1 A 34 34 ASP N N 34 122.268 121.808 0.460 1
1 325 . 13 1 1 A 35 35 ASP H H 35 8.955 8.384 0.571 1
1 326 . 13 1 1 A 35 35 ASP HA H 35 4.408 4.321 0.087 1
1 329 . 13 1 1 A 35 35 ASP C C 35 178.837 178.691 0.146 1
1 330 . 13 1 1 A 35 35 ASP CA C 35 56.611 57.969 -1.358 1
1 331 . 13 1 1 A 35 35 ASP CB C 35 39.609 41.562 -1.953 1
1 332 . 13 1 1 A 35 35 ASP N N 35 116.861 119.299 -2.438 1
1 333 . 13 1 1 A 36 36 GLU H H 36 7.208 7.986 -0.778 1
1 334 . 13 1 1 A 36 36 GLU HA H 36 4.051 4.024 0.027 1
1 339 . 13 1 1 A 36 36 GLU C C 36 179.226 179.123 0.103 1
1 340 . 13 1 1 A 36 36 GLU CA C 36 58.761 59.107 -0.346 1
1 341 . 13 1 1 A 36 36 GLU CB C 36 29.689 29.380 0.309 1
1 343 . 13 1 1 A 36 36 GLU N N 36 121.585 118.607 2.978 1
1 344 . 13 1 1 A 37 37 PHE H H 37 7.997 8.462 -0.465 1
1 345 . 13 1 1 A 37 37 PHE HA H 37 4.164 3.979 0.185 1
1 353 . 13 1 1 A 37 37 PHE C C 37 178.400 178.173 0.227 1
1 354 . 13 1 1 A 37 37 PHE CA C 37 61.915 61.274 0.641 1
1 355 . 13 1 1 A 37 37 PHE CB C 37 38.320 38.223 0.097 1
1 361 . 13 1 1 A 37 37 PHE N N 37 118.258 119.110 -0.852 1
1 362 . 13 1 1 A 38 38 GLU H H 38 7.806 8.410 -0.604 1
1 363 . 13 1 1 A 38 38 GLU HA H 38 4.027 4.015 0.012 1
1 368 . 13 1 1 A 38 38 GLU C C 38 178.764 179.215 -0.451 1
1 369 . 13 1 1 A 38 38 GLU CA C 38 59.325 60.042 -0.717 1
1 370 . 13 1 1 A 38 38 GLU CB C 38 29.083 29.311 -0.228 1
1 372 . 13 1 1 A 38 38 GLU N N 38 118.433 118.900 -0.467 1
1 373 . 13 1 1 A 39 39 GLN H H 39 7.845 8.204 -0.359 1
1 374 . 13 1 1 A 39 39 GLN HA H 39 4.149 3.838 0.311 1
1 381 . 13 1 1 A 39 39 GLN C C 39 179.541 178.927 0.614 1
1 382 . 13 1 1 A 39 39 GLN CA C 39 59.184 59.217 -0.033 1
1 383 . 13 1 1 A 39 39 GLN CB C 39 28.097 28.156 -0.059 1
1 385 . 13 1 1 A 39 39 GLN N N 39 119.859 118.806 1.053 1
1 387 . 13 1 1 A 40 40 LEU H H 40 8.130 7.553 0.577 1
1 388 . 13 1 1 A 40 40 LEU HA H 40 3.938 4.104 -0.166 1
1 398 . 13 1 1 A 40 40 LEU C C 40 178.158 179.360 -1.202 1
1 399 . 13 1 1 A 40 40 LEU CA C 40 58.092 57.583 0.509 1
1 400 . 13 1 1 A 40 40 LEU CB C 40 43.194 41.008 2.186 1
1 404 . 13 1 1 A 40 40 LEU N N 40 120.785 119.799 0.986 1
1 405 . 13 1 1 A 41 41 SER H H 41 8.241 8.548 -0.307 1
1 406 . 13 1 1 A 41 41 SER HA H 41 4.251 4.203 0.048 1
1 409 . 13 1 1 A 41 41 SER C C 41 177.891 177.153 0.738 1
1 410 . 13 1 1 A 41 41 SER CA C 41 61.194 61.505 -0.311 1
1 411 . 13 1 1 A 41 41 SER CB C 41 63.501 62.506 0.995 1
1 412 . 13 1 1 A 41 41 SER N N 41 114.804 113.934 0.870 1
1 413 . 13 1 1 A 42 42 ASN H H 42 7.969 7.998 -0.029 1
1 414 . 13 1 1 A 42 42 ASN HA H 42 4.515 4.637 -0.122 1
1 419 . 13 1 1 A 42 42 ASN C C 42 177.381 177.850 -0.469 1
1 420 . 13 1 1 A 42 42 ASN CA C 42 55.871 56.235 -0.364 1
1 421 . 13 1 1 A 42 42 ASN CB C 42 38.920 38.744 0.176 1
1 422 . 13 1 1 A 42 42 ASN N N 42 118.051 120.946 -2.895 1
1 424 . 13 1 1 A 43 43 LEU H H 43 8.169 7.608 0.561 1
1 425 . 13 1 1 A 43 43 LEU HA H 43 4.189 4.098 0.091 1
1 435 . 13 1 1 A 43 43 LEU C C 43 178.837 178.741 0.096 1
1 436 . 13 1 1 A 43 43 LEU CA C 43 57.845 58.226 -0.381 1
1 437 . 13 1 1 A 43 43 LEU CB C 43 43.382 42.153 1.229 1
1 441 . 13 1 1 A 43 43 LEU N N 43 120.419 121.373 -0.954 1
1 442 . 13 1 1 A 44 44 LEU H H 44 8.185 8.002 0.183 1
1 443 . 13 1 1 A 44 44 LEU HA H 44 4.445 4.285 0.160 1
1 453 . 13 1 1 A 44 44 LEU C C 44 176.677 176.063 0.614 1
1 454 . 13 1 1 A 44 44 LEU CA C 44 54.397 55.254 -0.857 1
1 455 . 13 1 1 A 44 44 LEU CB C 44 43.111 42.230 0.881 1
1 459 . 13 1 1 A 44 44 LEU N N 44 113.030 118.283 -5.253 1
1 460 . 13 1 1 A 45 45 ASN H H 45 8.100 8.037 0.063 1
1 461 . 13 1 1 A 45 45 ASN HA H 45 4.440 4.436 0.004 1
1 466 . 13 1 1 A 45 45 ASN C C 45 174.395 173.693 0.702 1
1 467 . 13 1 1 A 45 45 ASN CA C 45 54.073 54.510 -0.437 1
1 468 . 13 1 1 A 45 45 ASN CB C 45 36.970 36.724 0.246 1
1 469 . 13 1 1 A 45 45 ASN N N 45 117.438 115.474 1.964 1
1 471 . 13 1 1 A 46 46 LEU H H 46 7.476 7.390 0.086 1
1 472 . 13 1 1 A 46 46 LEU HA H 46 4.980 4.847 0.133 1
1 482 . 13 1 1 A 46 46 LEU C C 46 173.691 174.608 -0.917 1
1 483 . 13 1 1 A 46 46 LEU CA C 46 51.032 51.686 -0.654 1
1 484 . 13 1 1 A 46 46 LEU CB C 46 46.668 44.084 2.584 1
1 488 . 13 1 1 A 46 46 LEU N N 46 117.604 119.327 -1.723 1
1 489 . 13 1 1 A 47 47 PRO HA H 47 4.515 4.689 -0.174 1
1 496 . 13 1 1 A 47 47 PRO C C 47 177.915 177.619 0.296 1
1 497 . 13 1 1 A 47 47 PRO CA C 47 62.392 62.870 -0.478 1
1 498 . 13 1 1 A 47 47 PRO CB C 47 32.592 31.825 0.767 1
1 501 . 13 1 1 A 48 48 THR H H 48 8.818 8.675 0.143 1
1 502 . 13 1 1 A 48 48 THR HA H 48 3.590 3.990 -0.400 1
1 507 . 13 1 1 A 48 48 THR C C 48 176.628 175.899 0.729 1
1 508 . 13 1 1 A 48 48 THR CA C 48 67.384 65.374 2.010 1
1 509 . 13 1 1 A 48 48 THR CB C 48 67.996 68.428 -0.432 1
1 511 . 13 1 1 A 48 48 THR N N 48 120.240 118.619 1.621 1
1 512 . 13 1 1 A 49 49 ARG H H 49 8.750 8.341 0.409 1
1 513 . 13 1 1 A 49 49 ARG HA H 49 3.899 4.058 -0.159 1
1 520 . 13 1 1 A 49 49 ARG C C 49 178.012 178.395 -0.383 1
1 521 . 13 1 1 A 49 49 ARG CA C 49 59.079 58.622 0.457 1
1 522 . 13 1 1 A 49 49 ARG CB C 49 29.474 30.255 -0.781 1
1 525 . 13 1 1 A 49 49 ARG N N 49 117.541 121.087 -3.546 1
1 526 . 13 1 1 A 50 50 VAL H H 50 6.994 8.089 -1.095 1
1 527 . 13 1 1 A 50 50 VAL HA H 50 3.885 3.757 0.128 1
1 535 . 13 1 1 A 50 50 VAL C C 50 178.400 178.588 -0.188 1
1 536 . 13 1 1 A 50 50 VAL CA C 50 65.099 66.248 -1.149 1
1 537 . 13 1 1 A 50 50 VAL CB C 50 31.909 31.760 0.149 1
1 540 . 13 1 1 A 50 50 VAL N N 50 115.765 120.320 -4.555 1
1 541 . 13 1 1 A 51 51 ILE H H 51 7.358 8.102 -0.744 1
1 542 . 13 1 1 A 51 51 ILE HA H 51 3.814 3.921 -0.107 1
1 552 . 13 1 1 A 51 51 ILE C C 51 177.648 179.017 -1.369 1
1 553 . 13 1 1 A 51 51 ILE CA C 51 65.318 64.276 1.042 1
1 554 . 13 1 1 A 51 51 ILE CB C 51 38.017 36.517 1.500 1
1 558 . 13 1 1 A 51 51 ILE N N 51 122.170 120.161 2.009 1
1 559 . 13 1 1 A 52 52 VAL H H 52 8.401 8.563 -0.162 1
1 560 . 13 1 1 A 52 52 VAL HA H 52 3.290 3.657 -0.367 1
1 568 . 13 1 1 A 52 52 VAL C C 52 179.177 178.058 1.119 1
1 569 . 13 1 1 A 52 52 VAL CA C 52 67.021 66.828 0.193 1
1 570 . 13 1 1 A 52 52 VAL CB C 52 31.583 31.504 0.079 1
1 573 . 13 1 1 A 52 52 VAL N N 52 121.321 121.625 -0.304 1
1 574 . 13 1 1 A 53 53 VAL H H 53 7.691 7.735 -0.044 1
1 575 . 13 1 1 A 53 53 VAL HA H 53 3.711 3.785 -0.074 1
1 583 . 13 1 1 A 53 53 VAL C C 53 177.648 178.311 -0.663 1
1 584 . 13 1 1 A 53 53 VAL CA C 53 66.531 66.421 0.110 1
1 585 . 13 1 1 A 53 53 VAL CB C 53 31.936 31.612 0.324 1
1 588 . 13 1 1 A 53 53 VAL N N 53 119.305 119.183 0.122 1
1 589 . 13 1 1 A 54 54 TRP H H 54 8.127 7.940 0.187 1
1 590 . 13 1 1 A 54 54 TRP HA H 54 4.016 4.289 -0.273 1
1 599 . 13 1 1 A 54 54 TRP C C 54 180.100 178.340 1.760 1
1 600 . 13 1 1 A 54 54 TRP CA C 54 63.534 61.423 2.111 1
1 601 . 13 1 1 A 54 54 TRP CB C 54 28.747 29.781 -1.034 1
1 607 . 13 1 1 A 54 54 TRP N N 54 122.197 121.664 0.533 1
1 609 . 13 1 1 A 55 55 PHE H H 55 8.964 8.679 0.285 1
1 610 . 13 1 1 A 55 55 PHE HA H 55 3.843 4.403 -0.560 1
1 618 . 13 1 1 A 55 55 PHE C C 55 178.158 178.413 -0.255 1
1 619 . 13 1 1 A 55 55 PHE CA C 55 63.309 62.600 0.709 1
1 620 . 13 1 1 A 55 55 PHE CB C 55 39.818 39.003 0.815 1
1 626 . 13 1 1 A 55 55 PHE N N 55 119.663 118.616 1.047 1
1 627 . 13 1 1 A 56 56 GLN H H 56 8.412 8.827 -0.415 1
1 628 . 13 1 1 A 56 56 GLN HA H 56 3.984 3.912 0.072 1
1 635 . 13 1 1 A 56 56 GLN C C 56 179.420 179.150 0.270 1
1 636 . 13 1 1 A 56 56 GLN CA C 56 59.678 59.192 0.486 1
1 637 . 13 1 1 A 56 56 GLN CB C 56 27.981 28.341 -0.360 1
1 639 . 13 1 1 A 56 56 GLN N N 56 118.932 117.687 1.245 1
1 641 . 13 1 1 A 57 57 ASN H H 57 8.358 7.881 0.477 1
1 642 . 13 1 1 A 57 57 ASN HA H 57 4.302 4.468 -0.166 1
1 647 . 13 1 1 A 57 57 ASN C C 57 177.308 177.541 -0.233 1
1 648 . 13 1 1 A 57 57 ASN CA C 57 55.836 56.104 -0.268 1
1 649 . 13 1 1 A 57 57 ASN CB C 57 38.123 38.452 -0.329 1
1 650 . 13 1 1 A 57 57 ASN N N 57 118.552 118.409 0.143 1
1 652 . 13 1 1 A 58 58 ALA H H 58 8.097 7.804 0.293 1
1 653 . 13 1 1 A 58 58 ALA HA H 58 3.280 3.458 -0.178 1
1 657 . 13 1 1 A 58 58 ALA C C 58 180.512 179.959 0.553 1
1 658 . 13 1 1 A 58 58 ALA CA C 58 54.711 54.615 0.096 1
1 659 . 13 1 1 A 58 58 ALA CB C 58 16.685 17.323 -0.638 1
1 660 . 13 1 1 A 58 58 ALA N N 58 125.426 122.089 3.337 1
1 661 . 13 1 1 A 59 59 ARG H H 59 8.104 7.792 0.312 1
1 662 . 13 1 1 A 59 59 ARG HA H 59 4.159 4.328 -0.169 1
1 669 . 13 1 1 A 59 59 ARG C C 59 178.570 179.086 -0.516 1
1 670 . 13 1 1 A 59 59 ARG CA C 59 59.916 59.938 -0.022 1
1 671 . 13 1 1 A 59 59 ARG CB C 59 31.344 29.942 1.402 1
1 674 . 13 1 1 A 59 59 ARG N N 59 117.308 117.381 -0.073 1
1 675 . 13 1 1 A 60 60 GLN H H 60 7.532 7.909 -0.377 1
1 676 . 13 1 1 A 60 60 GLN HA H 60 4.118 4.092 0.026 1
1 683 . 13 1 1 A 60 60 GLN C C 60 178.036 178.866 -0.830 1
1 684 . 13 1 1 A 60 60 GLN CA C 60 58.021 58.626 -0.605 1
1 685 . 13 1 1 A 60 60 GLN CB C 60 28.460 28.240 0.220 1
1 687 . 13 1 1 A 60 60 GLN N N 60 118.195 118.672 -0.477 1
1 689 . 13 1 1 A 61 61 LYS H H 61 7.738 8.115 -0.377 1
1 690 . 13 1 1 A 61 61 LYS HA H 61 4.038 3.966 0.072 1
1 699 . 13 1 1 A 61 61 LYS C C 61 177.454 179.265 -1.811 1
1 700 . 13 1 1 A 61 61 LYS CA C 61 57.938 59.190 -1.252 1
1 701 . 13 1 1 A 61 61 LYS CB C 61 32.497 32.086 0.411 1
1 705 . 13 1 1 A 61 61 LYS N N 61 119.476 119.418 0.058 1
1 706 . 13 1 1 A 62 62 ALA H H 62 7.699 8.171 -0.472 1
1 707 . 13 1 1 A 62 62 ALA HA H 62 4.265 4.002 0.263 1
1 711 . 13 1 1 A 62 62 ALA C C 62 177.818 178.574 -0.756 1
1 712 . 13 1 1 A 62 62 ALA CA C 62 52.945 55.086 -2.141 1
1 713 . 13 1 1 A 62 62 ALA CB C 62 18.904 18.308 0.596 1
1 714 . 13 1 1 A 62 62 ALA N N 62 121.322 122.089 -0.767 1
1 715 . 13 1 1 A 63 63 ARG H H 63 7.831 7.161 0.670 1
1 716 . 13 1 1 A 63 63 ARG HA H 63 4.237 4.390 -0.153 1
1 722 . 13 1 1 A 63 63 ARG C C 63 176.580 176.267 0.313 1
1 723 . 13 1 1 A 63 63 ARG CA C 63 56.717 55.760 0.957 1
1 724 . 13 1 1 A 63 63 ARG CB C 63 30.124 31.119 -0.995 1
1 727 . 13 1 1 A 63 63 ARG N N 63 118.592 118.085 0.507 1
1 728 . 13 1 1 A 64 64 LYS H H 64 8.213 8.886 -0.673 1
1 729 . 13 1 1 A 64 64 LYS HA H 64 4.365 3.756 0.609 1
1 738 . 13 1 1 A 64 64 LYS C C 64 176.677 175.124 1.553 1
1 739 . 13 1 1 A 64 64 LYS CA C 64 56.329 56.980 -0.651 1
1 740 . 13 1 1 A 64 64 LYS CB C 64 32.906 30.347 2.559 1
1 744 . 13 1 1 A 64 64 LYS N N 64 121.456 117.856 3.600 1
1 745 . 13 1 1 A 65 65 SER H H 65 8.289 7.859 0.430 1
1 746 . 13 1 1 A 65 65 SER HA H 65 4.510 4.621 -0.111 1
1 749 . 13 1 1 A 65 65 SER C C 65 174.492 174.783 -0.291 1
1 750 . 13 1 1 A 65 65 SER CA C 65 58.303 56.563 1.740 1
1 751 . 13 1 1 A 65 65 SER CB C 65 64.052 65.356 -1.304 1
1 752 . 13 1 1 A 65 65 SER N N 65 116.719 112.671 4.048 1
1 753 . 13 1 1 A 66 66 GLY H H 66 8.242 8.436 -0.194 1
1 754 . 13 1 1 A 66 66 GLY HA2 H 66 4.120 4.103 0.017 1
1 755 . 13 1 1 A 66 66 GLY HA3 H 66 4.148 4.103 0.045 1
1 756 . 13 1 1 A 66 66 GLY C C 66 171.798 174.707 -2.909 1
1 757 . 13 1 1 A 66 66 GLY CA C 66 44.687 44.172 0.515 1
1 758 . 13 1 1 A 66 66 GLY N N 66 110.632 111.697 -1.065 1
1 759 . 13 1 1 A 67 67 PRO HA H 67 4.458 4.578 -0.120 1
1 766 . 13 1 1 A 67 67 PRO C C 67 177.429 177.044 0.385 1
1 767 . 13 1 1 A 67 67 PRO CA C 67 63.309 63.780 -0.471 1
1 768 . 13 1 1 A 67 67 PRO CB C 67 32.200 32.132 0.068 1
1 771 . 13 1 1 A 68 68 SER H H 68 8.535 8.125 0.410 1
1 772 . 13 1 1 A 68 68 SER HA H 68 4.482 4.406 0.076 1
1 775 . 13 1 1 A 68 68 SER C C 68 174.638 174.296 0.342 1
1 776 . 13 1 1 A 68 68 SER CA C 68 58.444 58.217 0.227 1
1 777 . 13 1 1 A 68 68 SER CB C 68 63.838 62.425 1.413 1
1 778 . 13 1 1 A 68 68 SER N N 68 116.359 112.157 4.202 1
1 779 . 13 1 1 A 69 69 SER H H 69 8.300 8.526 -0.226 1
1 780 . 13 1 1 A 69 69 SER HA H 69 4.477 5.067 -0.590 1
1 783 . 13 1 1 A 69 69 SER C C 69 173.934 172.899 1.035 1
1 784 . 13 1 1 A 69 69 SER CA C 69 58.374 57.115 1.259 1
1 785 . 13 1 1 A 69 69 SER CB C 69 64.134 66.438 -2.304 1
1 786 . 13 1 1 A 69 69 SER N N 69 117.715 117.741 -0.026 1
1 1 . 14 1 1 A 10 10 SER HA H 10 4.461 5.173 -0.712 1
1 4 . 14 1 1 A 10 10 SER C C 10 174.492 172.953 1.539 1
1 5 . 14 1 1 A 10 10 SER CA C 10 58.479 56.757 1.722 1
1 6 . 14 1 1 A 10 10 SER CB C 10 63.932 64.957 -1.025 1
1 7 . 14 1 1 A 11 11 ARG H H 11 8.318 8.676 -0.358 1
1 8 . 14 1 1 A 11 11 ARG HA H 11 4.391 4.504 -0.113 1
1 15 . 14 1 1 A 11 11 ARG C C 11 176.264 176.391 -0.127 1
1 16 . 14 1 1 A 11 11 ARG CA C 11 56.118 55.751 0.367 1
1 17 . 14 1 1 A 11 11 ARG CB C 11 30.849 29.049 1.800 1
1 20 . 14 1 1 A 11 11 ARG N N 11 122.795 125.549 -2.754 1
1 21 . 14 1 1 A 12 12 THR H H 12 8.159 8.007 0.152 1
1 22 . 14 1 1 A 12 12 THR HA H 12 4.150 3.614 0.536 1
1 27 . 14 1 1 A 12 12 THR C C 12 173.740 174.287 -0.547 1
1 28 . 14 1 1 A 12 12 THR CA C 12 62.463 66.749 -4.286 1
1 29 . 14 1 1 A 12 12 THR CB C 12 69.770 68.402 1.368 1
1 31 . 14 1 1 A 12 12 THR N N 12 117.261 119.249 -1.988 1
1 32 . 14 1 1 A 13 13 ARG H H 13 8.319 7.814 0.505 1
1 33 . 14 1 1 A 13 13 ARG HA H 13 4.332 3.959 0.373 1
1 40 . 14 1 1 A 13 13 ARG C C 13 175.560 174.849 0.711 1
1 41 . 14 1 1 A 13 13 ARG CA C 13 55.518 56.886 -1.368 1
1 42 . 14 1 1 A 13 13 ARG CB C 13 30.763 28.555 2.208 1
1 45 . 14 1 1 A 13 13 ARG N N 13 125.163 120.818 4.345 1
1 46 . 14 1 1 A 14 14 PHE H H 14 8.195 7.613 0.582 1
1 47 . 14 1 1 A 14 14 PHE HA H 14 4.952 4.469 0.483 1
1 55 . 14 1 1 A 14 14 PHE C C 14 176.993 175.758 1.235 1
1 56 . 14 1 1 A 14 14 PHE CA C 14 56.859 58.321 -1.462 1
1 57 . 14 1 1 A 14 14 PHE CB C 14 41.107 39.413 1.694 1
1 63 . 14 1 1 A 14 14 PHE N N 14 121.558 119.621 1.937 1
1 64 . 14 1 1 A 15 15 THR H H 15 8.999 8.257 0.742 1
1 65 . 14 1 1 A 15 15 THR HA H 15 4.491 4.872 -0.381 1
1 70 . 14 1 1 A 15 15 THR C C 15 174.856 175.272 -0.416 1
1 71 . 14 1 1 A 15 15 THR CA C 15 60.559 59.597 0.962 1
1 72 . 14 1 1 A 15 15 THR CB C 15 70.890 70.913 -0.023 1
1 74 . 14 1 1 A 15 15 THR N N 15 113.369 114.763 -1.394 1
1 75 . 14 1 1 A 16 16 ASP H H 16 8.906 9.284 -0.378 1
1 76 . 14 1 1 A 16 16 ASP HA H 16 4.333 4.279 0.054 1
1 79 . 14 1 1 A 16 16 ASP C C 16 178.764 177.943 0.821 1
1 80 . 14 1 1 A 16 16 ASP CA C 16 57.911 58.222 -0.311 1
1 81 . 14 1 1 A 16 16 ASP CB C 16 39.994 40.459 -0.465 1
1 82 . 14 1 1 A 16 16 ASP N N 16 120.884 127.442 -6.558 1
1 83 . 14 1 1 A 17 17 TYR H H 17 8.356 8.232 0.124 1
1 84 . 14 1 1 A 17 17 TYR HA H 17 4.211 4.091 0.120 1
1 91 . 14 1 1 A 17 17 TYR C C 17 176.264 177.897 -1.633 1
1 92 . 14 1 1 A 17 17 TYR CA C 17 61.045 61.861 -0.816 1
1 93 . 14 1 1 A 17 17 TYR CB C 17 38.666 38.853 -0.187 1
1 98 . 14 1 1 A 17 17 TYR N N 17 119.909 121.998 -2.089 1
1 99 . 14 1 1 A 18 18 GLN H H 18 7.582 8.354 -0.772 1
1 100 . 14 1 1 A 18 18 GLN HA H 18 3.482 3.625 -0.143 1
1 107 . 14 1 1 A 18 18 GLN C C 18 177.502 178.252 -0.750 1
1 108 . 14 1 1 A 18 18 GLN CA C 18 58.726 58.407 0.319 1
1 109 . 14 1 1 A 18 18 GLN CB C 18 27.717 28.241 -0.524 1
1 111 . 14 1 1 A 18 18 GLN N N 18 116.647 118.620 -1.973 1
1 113 . 14 1 1 A 19 19 LEU H H 19 8.170 8.756 -0.586 1
1 114 . 14 1 1 A 19 19 LEU HA H 19 3.508 3.680 -0.172 1
1 124 . 14 1 1 A 19 19 LEU C C 19 178.546 179.224 -0.678 1
1 125 . 14 1 1 A 19 19 LEU CA C 19 57.625 57.649 -0.024 1
1 126 . 14 1 1 A 19 19 LEU CB C 19 41.812 40.863 0.949 1
1 130 . 14 1 1 A 19 19 LEU N N 19 115.406 119.306 -3.900 1
1 131 . 14 1 1 A 20 20 ARG H H 20 7.792 8.264 -0.472 1
1 132 . 14 1 1 A 20 20 ARG HA H 20 3.917 3.991 -0.074 1
1 138 . 14 1 1 A 20 20 ARG C C 20 178.036 178.740 -0.704 1
1 139 . 14 1 1 A 20 20 ARG CA C 20 59.026 58.855 0.171 1
1 140 . 14 1 1 A 20 20 ARG CB C 20 29.861 30.048 -0.187 1
1 143 . 14 1 1 A 20 20 ARG N N 20 120.360 120.414 -0.054 1
1 144 . 14 1 1 A 21 21 VAL H H 21 7.601 7.268 0.333 1
1 145 . 14 1 1 A 21 21 VAL HA H 21 3.533 3.585 -0.052 1
1 153 . 14 1 1 A 21 21 VAL C C 21 179.541 178.266 1.275 1
1 154 . 14 1 1 A 21 21 VAL CA C 21 66.327 66.159 0.168 1
1 155 . 14 1 1 A 21 21 VAL CB C 21 31.509 31.480 0.029 1
1 158 . 14 1 1 A 21 21 VAL N N 21 119.151 118.982 0.169 1
1 159 . 14 1 1 A 22 22 LEU H H 22 7.898 8.218 -0.320 1
1 160 . 14 1 1 A 22 22 LEU HA H 22 3.513 3.824 -0.311 1
1 170 . 14 1 1 A 22 22 LEU C C 22 177.527 178.961 -1.434 1
1 171 . 14 1 1 A 22 22 LEU CA C 22 58.181 57.931 0.250 1
1 172 . 14 1 1 A 22 22 LEU CB C 22 38.573 40.476 -1.903 1
1 176 . 14 1 1 A 22 22 LEU N N 22 119.825 119.785 0.040 1
1 177 . 14 1 1 A 23 23 GLN H H 23 8.171 8.126 0.045 1
1 178 . 14 1 1 A 23 23 GLN HA H 23 3.925 3.980 -0.055 1
1 185 . 14 1 1 A 23 23 GLN C C 23 178.061 177.646 0.415 1
1 186 . 14 1 1 A 23 23 GLN CA C 23 58.832 58.961 -0.129 1
1 187 . 14 1 1 A 23 23 GLN CB C 23 28.769 28.643 0.126 1
1 189 . 14 1 1 A 23 23 GLN N N 23 118.186 118.216 -0.030 1
1 191 . 14 1 1 A 24 24 ASP H H 24 8.446 8.007 0.439 1
1 192 . 14 1 1 A 24 24 ASP HA H 24 4.373 4.432 -0.059 1
1 195 . 14 1 1 A 24 24 ASP C C 24 179.347 178.581 0.766 1
1 196 . 14 1 1 A 24 24 ASP CA C 24 57.294 57.242 0.052 1
1 197 . 14 1 1 A 24 24 ASP CB C 24 40.035 40.981 -0.946 1
1 198 . 14 1 1 A 24 24 ASP N N 24 118.634 119.591 -0.957 1
1 199 . 14 1 1 A 25 25 PHE H H 25 8.224 8.157 0.067 1
1 200 . 14 1 1 A 25 25 PHE HA H 25 4.062 4.276 -0.214 1
1 208 . 14 1 1 A 25 25 PHE C C 25 177.891 177.614 0.277 1
1 209 . 14 1 1 A 25 25 PHE CA C 25 61.546 60.889 0.657 1
1 210 . 14 1 1 A 25 25 PHE CB C 25 39.246 39.053 0.193 1
1 216 . 14 1 1 A 25 25 PHE N N 25 121.633 119.845 1.788 1
1 217 . 14 1 1 A 26 26 PHE H H 26 9.167 8.118 1.049 1
1 218 . 14 1 1 A 26 26 PHE HA H 26 4.302 4.559 -0.257 1
1 226 . 14 1 1 A 26 26 PHE C C 26 176.531 177.033 -0.502 1
1 227 . 14 1 1 A 26 26 PHE CA C 26 61.476 61.419 0.057 1
1 228 . 14 1 1 A 26 26 PHE CB C 26 39.471 38.894 0.577 1
1 234 . 14 1 1 A 26 26 PHE N N 26 121.265 119.995 1.270 1
1 235 . 14 1 1 A 27 27 ASP H H 27 8.654 8.367 0.287 1
1 236 . 14 1 1 A 27 27 ASP HA H 27 4.238 4.544 -0.306 1
1 239 . 14 1 1 A 27 27 ASP C C 27 177.429 177.371 0.058 1
1 240 . 14 1 1 A 27 27 ASP CA C 27 56.717 57.267 -0.550 1
1 241 . 14 1 1 A 27 27 ASP CB C 27 40.406 41.555 -1.149 1
1 242 . 14 1 1 A 27 27 ASP N N 27 116.555 118.967 -2.412 1
1 243 . 14 1 1 A 28 28 ALA H H 28 7.262 7.781 -0.519 1
1 244 . 14 1 1 A 28 28 ALA HA H 28 4.316 4.290 0.026 1
1 248 . 14 1 1 A 28 28 ALA C C 28 177.891 177.392 0.499 1
1 249 . 14 1 1 A 28 28 ALA CA C 28 52.839 53.116 -0.277 1
1 250 . 14 1 1 A 28 28 ALA CB C 28 19.698 20.140 -0.442 1
1 251 . 14 1 1 A 28 28 ALA N N 28 120.441 119.350 1.091 1
1 252 . 14 1 1 A 29 29 ASN H H 29 8.346 8.227 0.119 1
1 253 . 14 1 1 A 29 29 ASN HA H 29 4.432 4.827 -0.395 1
1 258 . 14 1 1 A 29 29 ASN C C 29 172.259 174.294 -2.035 1
1 259 . 14 1 1 A 29 29 ASN CA C 29 52.943 52.489 0.454 1
1 260 . 14 1 1 A 29 29 ASN CB C 29 38.435 41.269 -2.834 1
1 261 . 14 1 1 A 29 29 ASN N N 29 118.701 114.719 3.982 1
1 263 . 14 1 1 A 30 30 ALA H H 30 8.177 8.016 0.161 1
1 264 . 14 1 1 A 30 30 ALA HA H 30 4.010 4.590 -0.580 1
1 268 . 14 1 1 A 30 30 ALA C C 30 176.798 176.732 0.066 1
1 269 . 14 1 1 A 30 30 ALA CA C 30 52.980 50.700 2.280 1
1 270 . 14 1 1 A 30 30 ALA CB C 30 19.233 19.281 -0.048 1
1 271 . 14 1 1 A 30 30 ALA N N 30 124.112 127.888 -3.776 1
1 272 . 14 1 1 A 31 31 TYR H H 31 7.984 7.488 0.496 1
1 273 . 14 1 1 A 31 31 TYR HA H 31 4.672 5.139 -0.467 1
1 280 . 14 1 1 A 31 31 TYR C C 31 172.283 173.151 -0.868 1
1 281 . 14 1 1 A 31 31 TYR CA C 31 55.483 55.608 -0.125 1
1 282 . 14 1 1 A 31 31 TYR CB C 31 39.058 38.323 0.735 1
1 287 . 14 1 1 A 31 31 TYR N N 31 115.568 117.712 -2.144 1
1 288 . 14 1 1 A 32 32 PRO HA H 32 4.249 4.684 -0.435 1
1 295 . 14 1 1 A 32 32 PRO C C 32 176.871 176.667 0.204 1
1 296 . 14 1 1 A 32 32 PRO CA C 32 62.710 62.937 -0.227 1
1 297 . 14 1 1 A 32 32 PRO CB C 32 29.959 32.473 -2.514 1
1 300 . 14 1 1 A 33 33 LYS H H 33 9.168 8.733 0.435 1
1 301 . 14 1 1 A 33 33 LYS HA H 33 4.426 4.810 -0.384 1
1 310 . 14 1 1 A 33 33 LYS C C 33 178.061 177.990 0.071 1
1 311 . 14 1 1 A 33 33 LYS CA C 33 55.236 55.020 0.216 1
1 312 . 14 1 1 A 33 33 LYS CB C 33 33.980 34.015 -0.035 1
1 316 . 14 1 1 A 33 33 LYS N N 33 121.451 121.342 0.109 1
1 317 . 14 1 1 A 34 34 ASP H H 34 9.017 8.858 0.159 1
1 318 . 14 1 1 A 34 34 ASP HA H 34 4.566 4.278 0.288 1
1 321 . 14 1 1 A 34 34 ASP C C 34 179.007 177.979 1.028 1
1 322 . 14 1 1 A 34 34 ASP CA C 34 58.973 57.721 1.252 1
1 323 . 14 1 1 A 34 34 ASP CB C 34 39.834 40.290 -0.456 1
1 324 . 14 1 1 A 34 34 ASP N N 34 122.268 121.734 0.534 1
1 325 . 14 1 1 A 35 35 ASP H H 35 8.955 8.337 0.618 1
1 326 . 14 1 1 A 35 35 ASP HA H 35 4.408 4.330 0.078 1
1 329 . 14 1 1 A 35 35 ASP C C 35 178.837 178.689 0.148 1
1 330 . 14 1 1 A 35 35 ASP CA C 35 56.611 58.040 -1.429 1
1 331 . 14 1 1 A 35 35 ASP CB C 35 39.609 42.114 -2.505 1
1 332 . 14 1 1 A 35 35 ASP N N 35 116.861 119.279 -2.418 1
1 333 . 14 1 1 A 36 36 GLU H H 36 7.208 7.984 -0.776 1
1 334 . 14 1 1 A 36 36 GLU HA H 36 4.051 4.028 0.023 1
1 339 . 14 1 1 A 36 36 GLU C C 36 179.226 179.122 0.104 1
1 340 . 14 1 1 A 36 36 GLU CA C 36 58.761 59.097 -0.336 1
1 341 . 14 1 1 A 36 36 GLU CB C 36 29.689 29.427 0.262 1
1 343 . 14 1 1 A 36 36 GLU N N 36 121.585 118.685 2.900 1
1 344 . 14 1 1 A 37 37 PHE H H 37 7.997 8.493 -0.496 1
1 345 . 14 1 1 A 37 37 PHE HA H 37 4.164 3.985 0.179 1
1 353 . 14 1 1 A 37 37 PHE C C 37 178.400 178.115 0.285 1
1 354 . 14 1 1 A 37 37 PHE CA C 37 61.915 61.415 0.500 1
1 355 . 14 1 1 A 37 37 PHE CB C 37 38.320 38.100 0.220 1
1 361 . 14 1 1 A 37 37 PHE N N 37 118.258 119.098 -0.840 1
1 362 . 14 1 1 A 38 38 GLU H H 38 7.806 8.198 -0.392 1
1 363 . 14 1 1 A 38 38 GLU HA H 38 4.027 3.964 0.063 1
1 368 . 14 1 1 A 38 38 GLU C C 38 178.764 179.247 -0.483 1
1 369 . 14 1 1 A 38 38 GLU CA C 38 59.325 60.054 -0.729 1
1 370 . 14 1 1 A 38 38 GLU CB C 38 29.083 29.282 -0.199 1
1 372 . 14 1 1 A 38 38 GLU N N 38 118.433 119.359 -0.926 1
1 373 . 14 1 1 A 39 39 GLN H H 39 7.845 8.206 -0.361 1
1 374 . 14 1 1 A 39 39 GLN HA H 39 4.149 3.861 0.288 1
1 381 . 14 1 1 A 39 39 GLN C C 39 179.541 178.907 0.634 1
1 382 . 14 1 1 A 39 39 GLN CA C 39 59.184 59.165 0.019 1
1 383 . 14 1 1 A 39 39 GLN CB C 39 28.097 28.189 -0.092 1
1 385 . 14 1 1 A 39 39 GLN N N 39 119.859 118.758 1.101 1
1 387 . 14 1 1 A 40 40 LEU H H 40 8.130 7.489 0.641 1
1 388 . 14 1 1 A 40 40 LEU HA H 40 3.938 4.047 -0.109 1
1 398 . 14 1 1 A 40 40 LEU C C 40 178.158 179.181 -1.023 1
1 399 . 14 1 1 A 40 40 LEU CA C 40 58.092 57.557 0.535 1
1 400 . 14 1 1 A 40 40 LEU CB C 40 43.194 41.163 2.031 1
1 404 . 14 1 1 A 40 40 LEU N N 40 120.785 119.772 1.013 1
1 405 . 14 1 1 A 41 41 SER H H 41 8.241 8.382 -0.141 1
1 406 . 14 1 1 A 41 41 SER HA H 41 4.251 4.257 -0.006 1
1 409 . 14 1 1 A 41 41 SER C C 41 177.891 177.127 0.764 1
1 410 . 14 1 1 A 41 41 SER CA C 41 61.194 61.481 -0.287 1
1 411 . 14 1 1 A 41 41 SER CB C 41 63.501 62.458 1.043 1
1 412 . 14 1 1 A 41 41 SER N N 41 114.804 113.835 0.969 1
1 413 . 14 1 1 A 42 42 ASN H H 42 7.969 7.930 0.039 1
1 414 . 14 1 1 A 42 42 ASN HA H 42 4.515 4.631 -0.116 1
1 419 . 14 1 1 A 42 42 ASN C C 42 177.381 177.835 -0.454 1
1 420 . 14 1 1 A 42 42 ASN CA C 42 55.871 56.230 -0.359 1
1 421 . 14 1 1 A 42 42 ASN CB C 42 38.920 38.733 0.187 1
1 422 . 14 1 1 A 42 42 ASN N N 42 118.051 120.916 -2.865 1
1 424 . 14 1 1 A 43 43 LEU H H 43 8.169 7.589 0.580 1
1 425 . 14 1 1 A 43 43 LEU HA H 43 4.189 4.094 0.095 1
1 435 . 14 1 1 A 43 43 LEU C C 43 178.837 178.801 0.036 1
1 436 . 14 1 1 A 43 43 LEU CA C 43 57.845 58.207 -0.362 1
1 437 . 14 1 1 A 43 43 LEU CB C 43 43.382 42.133 1.249 1
1 441 . 14 1 1 A 43 43 LEU N N 43 120.419 121.353 -0.934 1
1 442 . 14 1 1 A 44 44 LEU H H 44 8.185 7.969 0.216 1
1 443 . 14 1 1 A 44 44 LEU HA H 44 4.445 4.183 0.262 1
1 453 . 14 1 1 A 44 44 LEU C C 44 176.677 176.421 0.256 1
1 454 . 14 1 1 A 44 44 LEU CA C 44 54.397 55.047 -0.650 1
1 455 . 14 1 1 A 44 44 LEU CB C 44 43.111 42.107 1.004 1
1 459 . 14 1 1 A 44 44 LEU N N 44 113.030 118.212 -5.182 1
1 460 . 14 1 1 A 45 45 ASN H H 45 8.100 8.238 -0.138 1
1 461 . 14 1 1 A 45 45 ASN HA H 45 4.440 4.531 -0.091 1
1 466 . 14 1 1 A 45 45 ASN C C 45 174.395 173.846 0.549 1
1 467 . 14 1 1 A 45 45 ASN CA C 45 54.073 54.465 -0.392 1
1 468 . 14 1 1 A 45 45 ASN CB C 45 36.970 37.677 -0.707 1
1 469 . 14 1 1 A 45 45 ASN N N 45 117.438 117.832 -0.394 1
1 471 . 14 1 1 A 46 46 LEU H H 46 7.476 7.761 -0.285 1
1 472 . 14 1 1 A 46 46 LEU HA H 46 4.980 4.768 0.212 1
1 482 . 14 1 1 A 46 46 LEU C C 46 173.691 174.677 -0.986 1
1 483 . 14 1 1 A 46 46 LEU CA C 46 51.032 51.879 -0.847 1
1 484 . 14 1 1 A 46 46 LEU CB C 46 46.668 43.209 3.459 1
1 488 . 14 1 1 A 46 46 LEU N N 46 117.604 119.717 -2.113 1
1 489 . 14 1 1 A 47 47 PRO HA H 47 4.515 4.685 -0.170 1
1 496 . 14 1 1 A 47 47 PRO C C 47 177.915 177.650 0.265 1
1 497 . 14 1 1 A 47 47 PRO CA C 47 62.392 62.873 -0.481 1
1 498 . 14 1 1 A 47 47 PRO CB C 47 32.592 31.839 0.753 1
1 501 . 14 1 1 A 48 48 THR H H 48 8.818 8.683 0.135 1
1 502 . 14 1 1 A 48 48 THR HA H 48 3.590 4.012 -0.422 1
1 507 . 14 1 1 A 48 48 THR C C 48 176.628 175.934 0.694 1
1 508 . 14 1 1 A 48 48 THR CA C 48 67.384 65.573 1.811 1
1 509 . 14 1 1 A 48 48 THR CB C 48 67.996 68.478 -0.482 1
1 511 . 14 1 1 A 48 48 THR N N 48 120.240 118.663 1.577 1
1 512 . 14 1 1 A 49 49 ARG H H 49 8.750 8.273 0.477 1
1 513 . 14 1 1 A 49 49 ARG HA H 49 3.899 4.072 -0.173 1
1 520 . 14 1 1 A 49 49 ARG C C 49 178.012 178.361 -0.349 1
1 521 . 14 1 1 A 49 49 ARG CA C 49 59.079 58.631 0.448 1
1 522 . 14 1 1 A 49 49 ARG CB C 49 29.474 30.052 -0.578 1
1 525 . 14 1 1 A 49 49 ARG N N 49 117.541 120.960 -3.419 1
1 526 . 14 1 1 A 50 50 VAL H H 50 6.994 8.133 -1.139 1
1 527 . 14 1 1 A 50 50 VAL HA H 50 3.885 3.789 0.096 1
1 535 . 14 1 1 A 50 50 VAL C C 50 178.400 178.590 -0.190 1
1 536 . 14 1 1 A 50 50 VAL CA C 50 65.099 66.138 -1.039 1
1 537 . 14 1 1 A 50 50 VAL CB C 50 31.909 31.651 0.258 1
1 540 . 14 1 1 A 50 50 VAL N N 50 115.765 120.305 -4.540 1
1 541 . 14 1 1 A 51 51 ILE H H 51 7.358 8.021 -0.663 1
1 542 . 14 1 1 A 51 51 ILE HA H 51 3.814 3.878 -0.064 1
1 552 . 14 1 1 A 51 51 ILE C C 51 177.648 179.075 -1.427 1
1 553 . 14 1 1 A 51 51 ILE CA C 51 65.318 64.058 1.260 1
1 554 . 14 1 1 A 51 51 ILE CB C 51 38.017 36.263 1.754 1
1 558 . 14 1 1 A 51 51 ILE N N 51 122.170 120.099 2.071 1
1 559 . 14 1 1 A 52 52 VAL H H 52 8.401 8.570 -0.169 1
1 560 . 14 1 1 A 52 52 VAL HA H 52 3.290 3.756 -0.466 1
1 568 . 14 1 1 A 52 52 VAL C C 52 179.177 178.091 1.086 1
1 569 . 14 1 1 A 52 52 VAL CA C 52 67.021 66.873 0.148 1
1 570 . 14 1 1 A 52 52 VAL CB C 52 31.583 31.561 0.022 1
1 573 . 14 1 1 A 52 52 VAL N N 52 121.321 121.760 -0.439 1
1 574 . 14 1 1 A 53 53 VAL H H 53 7.691 7.750 -0.059 1
1 575 . 14 1 1 A 53 53 VAL HA H 53 3.711 3.804 -0.093 1
1 583 . 14 1 1 A 53 53 VAL C C 53 177.648 178.325 -0.677 1
1 584 . 14 1 1 A 53 53 VAL CA C 53 66.531 66.311 0.220 1
1 585 . 14 1 1 A 53 53 VAL CB C 53 31.936 31.660 0.276 1
1 588 . 14 1 1 A 53 53 VAL N N 53 119.305 119.199 0.106 1
1 589 . 14 1 1 A 54 54 TRP H H 54 8.127 7.950 0.177 1
1 590 . 14 1 1 A 54 54 TRP HA H 54 4.016 4.322 -0.306 1
1 599 . 14 1 1 A 54 54 TRP C C 54 180.100 178.470 1.630 1
1 600 . 14 1 1 A 54 54 TRP CA C 54 63.534 61.450 2.084 1
1 601 . 14 1 1 A 54 54 TRP CB C 54 28.747 29.613 -0.866 1
1 607 . 14 1 1 A 54 54 TRP N N 54 122.197 121.681 0.516 1
1 609 . 14 1 1 A 55 55 PHE H H 55 8.964 8.693 0.271 1
1 610 . 14 1 1 A 55 55 PHE HA H 55 3.843 4.493 -0.650 1
1 618 . 14 1 1 A 55 55 PHE C C 55 178.158 178.561 -0.403 1
1 619 . 14 1 1 A 55 55 PHE CA C 55 63.309 62.601 0.708 1
1 620 . 14 1 1 A 55 55 PHE CB C 55 39.818 39.180 0.638 1
1 626 . 14 1 1 A 55 55 PHE N N 55 119.663 118.712 0.951 1
1 627 . 14 1 1 A 56 56 GLN H H 56 8.412 8.834 -0.422 1
1 628 . 14 1 1 A 56 56 GLN HA H 56 3.984 4.031 -0.047 1
1 635 . 14 1 1 A 56 56 GLN C C 56 179.420 179.233 0.187 1
1 636 . 14 1 1 A 56 56 GLN CA C 56 59.678 59.316 0.362 1
1 637 . 14 1 1 A 56 56 GLN CB C 56 27.981 28.402 -0.421 1
1 639 . 14 1 1 A 56 56 GLN N N 56 118.932 118.015 0.917 1
1 641 . 14 1 1 A 57 57 ASN H H 57 8.358 7.987 0.371 1
1 642 . 14 1 1 A 57 57 ASN HA H 57 4.302 4.560 -0.258 1
1 647 . 14 1 1 A 57 57 ASN C C 57 177.308 177.557 -0.249 1
1 648 . 14 1 1 A 57 57 ASN CA C 57 55.836 56.118 -0.282 1
1 649 . 14 1 1 A 57 57 ASN CB C 57 38.123 38.516 -0.393 1
1 650 . 14 1 1 A 57 57 ASN N N 57 118.552 118.531 0.021 1
1 652 . 14 1 1 A 58 58 ALA H H 58 8.097 7.897 0.200 1
1 653 . 14 1 1 A 58 58 ALA HA H 58 3.280 3.503 -0.223 1
1 657 . 14 1 1 A 58 58 ALA C C 58 180.512 179.953 0.559 1
1 658 . 14 1 1 A 58 58 ALA CA C 58 54.711 54.673 0.038 1
1 659 . 14 1 1 A 58 58 ALA CB C 58 16.685 17.544 -0.859 1
1 660 . 14 1 1 A 58 58 ALA N N 58 125.426 121.902 3.524 1
1 661 . 14 1 1 A 59 59 ARG H H 59 8.104 7.525 0.579 1
1 662 . 14 1 1 A 59 59 ARG HA H 59 4.159 4.349 -0.190 1
1 669 . 14 1 1 A 59 59 ARG C C 59 178.570 179.128 -0.558 1
1 670 . 14 1 1 A 59 59 ARG CA C 59 59.916 59.754 0.162 1
1 671 . 14 1 1 A 59 59 ARG CB C 59 31.344 30.157 1.187 1
1 674 . 14 1 1 A 59 59 ARG N N 59 117.308 117.270 0.038 1
1 675 . 14 1 1 A 60 60 GLN H H 60 7.532 7.946 -0.414 1
1 676 . 14 1 1 A 60 60 GLN HA H 60 4.118 4.018 0.100 1
1 683 . 14 1 1 A 60 60 GLN C C 60 178.036 178.890 -0.854 1
1 684 . 14 1 1 A 60 60 GLN CA C 60 58.021 58.914 -0.893 1
1 685 . 14 1 1 A 60 60 GLN CB C 60 28.460 28.461 -0.001 1
1 687 . 14 1 1 A 60 60 GLN N N 60 118.195 118.534 -0.339 1
1 689 . 14 1 1 A 61 61 LYS H H 61 7.738 7.935 -0.197 1
1 690 . 14 1 1 A 61 61 LYS HA H 61 4.038 3.967 0.071 1
1 699 . 14 1 1 A 61 61 LYS C C 61 177.454 179.043 -1.589 1
1 700 . 14 1 1 A 61 61 LYS CA C 61 57.938 59.245 -1.307 1
1 701 . 14 1 1 A 61 61 LYS CB C 61 32.497 32.213 0.284 1
1 705 . 14 1 1 A 61 61 LYS N N 61 119.476 119.085 0.391 1
1 706 . 14 1 1 A 62 62 ALA H H 62 7.699 8.094 -0.395 1
1 707 . 14 1 1 A 62 62 ALA HA H 62 4.265 4.139 0.126 1
1 711 . 14 1 1 A 62 62 ALA C C 62 177.818 178.489 -0.671 1
1 712 . 14 1 1 A 62 62 ALA CA C 62 52.945 54.979 -2.034 1
1 713 . 14 1 1 A 62 62 ALA CB C 62 18.904 18.375 0.529 1
1 714 . 14 1 1 A 62 62 ALA N N 62 121.322 120.874 0.448 1
1 715 . 14 1 1 A 63 63 ARG H H 63 7.831 7.955 -0.124 1
1 716 . 14 1 1 A 63 63 ARG HA H 63 4.237 4.336 -0.099 1
1 722 . 14 1 1 A 63 63 ARG C C 63 176.580 176.192 0.388 1
1 723 . 14 1 1 A 63 63 ARG CA C 63 56.717 56.444 0.273 1
1 724 . 14 1 1 A 63 63 ARG CB C 63 30.124 30.752 -0.628 1
1 727 . 14 1 1 A 63 63 ARG N N 63 118.592 117.684 0.908 1
1 728 . 14 1 1 A 64 64 LYS H H 64 8.213 8.458 -0.245 1
1 729 . 14 1 1 A 64 64 LYS HA H 64 4.365 4.296 0.069 1
1 738 . 14 1 1 A 64 64 LYS C C 64 176.677 178.267 -1.590 1
1 739 . 14 1 1 A 64 64 LYS CA C 64 56.329 55.492 0.837 1
1 740 . 14 1 1 A 64 64 LYS CB C 64 32.906 31.722 1.184 1
1 744 . 14 1 1 A 64 64 LYS N N 64 121.456 124.388 -2.932 1
1 745 . 14 1 1 A 65 65 SER H H 65 8.289 8.358 -0.069 1
1 746 . 14 1 1 A 65 65 SER HA H 65 4.510 4.149 0.361 1
1 749 . 14 1 1 A 65 65 SER C C 65 174.492 175.738 -1.246 1
1 750 . 14 1 1 A 65 65 SER CA C 65 58.303 61.808 -3.505 1
1 751 . 14 1 1 A 65 65 SER CB C 65 64.052 62.951 1.101 1
1 752 . 14 1 1 A 65 65 SER N N 65 116.719 120.116 -3.397 1
1 753 . 14 1 1 A 66 66 GLY H H 66 8.242 7.860 0.382 1
1 754 . 14 1 1 A 66 66 GLY HA2 H 66 4.120 4.039 0.081 1
1 755 . 14 1 1 A 66 66 GLY HA3 H 66 4.148 4.039 0.109 1
1 756 . 14 1 1 A 66 66 GLY C C 66 171.798 173.267 -1.469 1
1 757 . 14 1 1 A 66 66 GLY CA C 66 44.687 45.231 -0.544 1
1 758 . 14 1 1 A 66 66 GLY N N 66 110.632 109.574 1.058 1
1 759 . 14 1 1 A 67 67 PRO HA H 67 4.458 4.560 -0.102 1
1 766 . 14 1 1 A 67 67 PRO C C 67 177.429 176.388 1.041 1
1 767 . 14 1 1 A 67 67 PRO CA C 67 63.309 62.422 0.887 1
1 768 . 14 1 1 A 67 67 PRO CB C 67 32.200 32.585 -0.385 1
1 771 . 14 1 1 A 68 68 SER H H 68 8.535 8.562 -0.027 1
1 772 . 14 1 1 A 68 68 SER HA H 68 4.482 4.665 -0.183 1
1 775 . 14 1 1 A 68 68 SER C C 68 174.638 173.702 0.936 1
1 776 . 14 1 1 A 68 68 SER CA C 68 58.444 57.457 0.987 1
1 777 . 14 1 1 A 68 68 SER CB C 68 63.838 64.964 -1.126 1
1 778 . 14 1 1 A 68 68 SER N N 68 116.359 115.091 1.268 1
1 779 . 14 1 1 A 69 69 SER H H 69 8.300 8.760 -0.460 1
1 780 . 14 1 1 A 69 69 SER HA H 69 4.477 5.016 -0.539 1
1 783 . 14 1 1 A 69 69 SER C C 69 173.934 172.968 0.966 1
1 784 . 14 1 1 A 69 69 SER CA C 69 58.374 57.142 1.232 1
1 785 . 14 1 1 A 69 69 SER CB C 69 64.134 65.730 -1.596 1
1 786 . 14 1 1 A 69 69 SER N N 69 117.715 115.447 2.268 1
1 1 . 15 1 1 A 10 10 SER HA H 10 4.461 4.968 -0.507 1
1 4 . 15 1 1 A 10 10 SER C C 10 174.492 173.185 1.307 1
1 5 . 15 1 1 A 10 10 SER CA C 10 58.479 56.567 1.912 1
1 6 . 15 1 1 A 10 10 SER CB C 10 63.932 64.782 -0.850 1
1 7 . 15 1 1 A 11 11 ARG H H 11 8.318 8.820 -0.502 1
1 8 . 15 1 1 A 11 11 ARG HA H 11 4.391 4.448 -0.057 1
1 15 . 15 1 1 A 11 11 ARG C C 11 176.264 174.853 1.411 1
1 16 . 15 1 1 A 11 11 ARG CA C 11 56.118 55.446 0.672 1
1 17 . 15 1 1 A 11 11 ARG CB C 11 30.849 28.814 2.035 1
1 20 . 15 1 1 A 11 11 ARG N N 11 122.795 128.644 -5.849 1
1 21 . 15 1 1 A 12 12 THR H H 12 8.159 8.320 -0.161 1
1 22 . 15 1 1 A 12 12 THR HA H 12 4.150 4.560 -0.410 1
1 27 . 15 1 1 A 12 12 THR C C 12 173.740 173.602 0.138 1
1 28 . 15 1 1 A 12 12 THR CA C 12 62.463 61.388 1.075 1
1 29 . 15 1 1 A 12 12 THR CB C 12 69.770 68.368 1.402 1
1 31 . 15 1 1 A 12 12 THR N N 12 117.261 122.121 -4.860 1
1 32 . 15 1 1 A 13 13 ARG H H 13 8.319 8.599 -0.280 1
1 33 . 15 1 1 A 13 13 ARG HA H 13 4.332 4.549 -0.217 1
1 40 . 15 1 1 A 13 13 ARG C C 13 175.560 175.687 -0.127 1
1 41 . 15 1 1 A 13 13 ARG CA C 13 55.518 56.267 -0.749 1
1 42 . 15 1 1 A 13 13 ARG CB C 13 30.763 31.248 -0.485 1
1 45 . 15 1 1 A 13 13 ARG N N 13 125.163 125.750 -0.587 1
1 46 . 15 1 1 A 14 14 PHE H H 14 8.195 9.112 -0.917 1
1 47 . 15 1 1 A 14 14 PHE HA H 14 4.952 4.916 0.036 1
1 55 . 15 1 1 A 14 14 PHE C C 14 176.993 175.353 1.640 1
1 56 . 15 1 1 A 14 14 PHE CA C 14 56.859 57.225 -0.366 1
1 57 . 15 1 1 A 14 14 PHE CB C 14 41.107 41.399 -0.292 1
1 63 . 15 1 1 A 14 14 PHE N N 14 121.558 122.015 -0.457 1
1 64 . 15 1 1 A 15 15 THR H H 15 8.999 8.971 0.028 1
1 65 . 15 1 1 A 15 15 THR HA H 15 4.491 4.867 -0.376 1
1 70 . 15 1 1 A 15 15 THR C C 15 174.856 175.764 -0.908 1
1 71 . 15 1 1 A 15 15 THR CA C 15 60.559 59.823 0.736 1
1 72 . 15 1 1 A 15 15 THR CB C 15 70.890 71.355 -0.465 1
1 74 . 15 1 1 A 15 15 THR N N 15 113.369 113.515 -0.146 1
1 75 . 15 1 1 A 16 16 ASP H H 16 8.906 9.063 -0.157 1
1 76 . 15 1 1 A 16 16 ASP HA H 16 4.333 4.281 0.052 1
1 79 . 15 1 1 A 16 16 ASP C C 16 178.764 177.898 0.866 1
1 80 . 15 1 1 A 16 16 ASP CA C 16 57.911 57.953 -0.042 1
1 81 . 15 1 1 A 16 16 ASP CB C 16 39.994 40.258 -0.264 1
1 82 . 15 1 1 A 16 16 ASP N N 16 120.884 123.055 -2.171 1
1 83 . 15 1 1 A 17 17 TYR H H 17 8.356 8.265 0.091 1
1 84 . 15 1 1 A 17 17 TYR HA H 17 4.211 4.111 0.100 1
1 91 . 15 1 1 A 17 17 TYR C C 17 176.264 178.146 -1.882 1
1 92 . 15 1 1 A 17 17 TYR CA C 17 61.045 61.352 -0.307 1
1 93 . 15 1 1 A 17 17 TYR CB C 17 38.666 38.723 -0.057 1
1 98 . 15 1 1 A 17 17 TYR N N 17 119.909 123.049 -3.140 1
1 99 . 15 1 1 A 18 18 GLN H H 18 7.582 8.284 -0.702 1
1 100 . 15 1 1 A 18 18 GLN HA H 18 3.482 3.436 0.046 1
1 107 . 15 1 1 A 18 18 GLN C C 18 177.502 178.564 -1.062 1
1 108 . 15 1 1 A 18 18 GLN CA C 18 58.726 58.740 -0.014 1
1 109 . 15 1 1 A 18 18 GLN CB C 18 27.717 28.424 -0.707 1
1 111 . 15 1 1 A 18 18 GLN N N 18 116.647 118.961 -2.314 1
1 113 . 15 1 1 A 19 19 LEU H H 19 8.170 8.421 -0.251 1
1 114 . 15 1 1 A 19 19 LEU HA H 19 3.508 3.638 -0.130 1
1 124 . 15 1 1 A 19 19 LEU C C 19 178.546 178.958 -0.412 1
1 125 . 15 1 1 A 19 19 LEU CA C 19 57.625 57.935 -0.310 1
1 126 . 15 1 1 A 19 19 LEU CB C 19 41.812 41.415 0.397 1
1 130 . 15 1 1 A 19 19 LEU N N 19 115.406 119.792 -4.386 1
1 131 . 15 1 1 A 20 20 ARG H H 20 7.792 7.512 0.280 1
1 132 . 15 1 1 A 20 20 ARG HA H 20 3.917 3.964 -0.047 1
1 138 . 15 1 1 A 20 20 ARG C C 20 178.036 178.704 -0.668 1
1 139 . 15 1 1 A 20 20 ARG CA C 20 59.026 59.074 -0.048 1
1 140 . 15 1 1 A 20 20 ARG CB C 20 29.861 29.833 0.028 1
1 143 . 15 1 1 A 20 20 ARG N N 20 120.360 120.292 0.068 1
1 144 . 15 1 1 A 21 21 VAL H H 21 7.601 7.308 0.293 1
1 145 . 15 1 1 A 21 21 VAL HA H 21 3.533 3.565 -0.032 1
1 153 . 15 1 1 A 21 21 VAL C C 21 179.541 178.077 1.464 1
1 154 . 15 1 1 A 21 21 VAL CA C 21 66.327 66.085 0.242 1
1 155 . 15 1 1 A 21 21 VAL CB C 21 31.509 31.447 0.062 1
1 158 . 15 1 1 A 21 21 VAL N N 21 119.151 119.035 0.116 1
1 159 . 15 1 1 A 22 22 LEU H H 22 7.898 8.237 -0.339 1
1 160 . 15 1 1 A 22 22 LEU HA H 22 3.513 3.801 -0.288 1
1 170 . 15 1 1 A 22 22 LEU C C 22 177.527 179.033 -1.506 1
1 171 . 15 1 1 A 22 22 LEU CA C 22 58.181 57.898 0.283 1
1 172 . 15 1 1 A 22 22 LEU CB C 22 38.573 40.384 -1.811 1
1 176 . 15 1 1 A 22 22 LEU N N 22 119.825 119.684 0.141 1
1 177 . 15 1 1 A 23 23 GLN H H 23 8.171 8.384 -0.213 1
1 178 . 15 1 1 A 23 23 GLN HA H 23 3.925 3.961 -0.036 1
1 185 . 15 1 1 A 23 23 GLN C C 23 178.061 177.630 0.431 1
1 186 . 15 1 1 A 23 23 GLN CA C 23 58.832 58.960 -0.128 1
1 187 . 15 1 1 A 23 23 GLN CB C 23 28.769 28.606 0.163 1
1 189 . 15 1 1 A 23 23 GLN N N 23 118.186 118.505 -0.319 1
1 191 . 15 1 1 A 24 24 ASP H H 24 8.446 8.067 0.379 1
1 192 . 15 1 1 A 24 24 ASP HA H 24 4.373 4.429 -0.056 1
1 195 . 15 1 1 A 24 24 ASP C C 24 179.347 178.692 0.655 1
1 196 . 15 1 1 A 24 24 ASP CA C 24 57.294 57.245 0.049 1
1 197 . 15 1 1 A 24 24 ASP CB C 24 40.035 40.958 -0.923 1
1 198 . 15 1 1 A 24 24 ASP N N 24 118.634 119.601 -0.967 1
1 199 . 15 1 1 A 25 25 PHE H H 25 8.224 8.236 -0.012 1
1 200 . 15 1 1 A 25 25 PHE HA H 25 4.062 4.266 -0.204 1
1 208 . 15 1 1 A 25 25 PHE C C 25 177.891 177.612 0.279 1
1 209 . 15 1 1 A 25 25 PHE CA C 25 61.546 60.892 0.654 1
1 210 . 15 1 1 A 25 25 PHE CB C 25 39.246 39.088 0.158 1
1 216 . 15 1 1 A 25 25 PHE N N 25 121.633 119.831 1.802 1
1 217 . 15 1 1 A 26 26 PHE H H 26 9.167 8.124 1.043 1
1 218 . 15 1 1 A 26 26 PHE HA H 26 4.302 4.543 -0.241 1
1 226 . 15 1 1 A 26 26 PHE C C 26 176.531 177.022 -0.491 1
1 227 . 15 1 1 A 26 26 PHE CA C 26 61.476 61.374 0.102 1
1 228 . 15 1 1 A 26 26 PHE CB C 26 39.471 38.955 0.516 1
1 234 . 15 1 1 A 26 26 PHE N N 26 121.265 119.993 1.272 1
1 235 . 15 1 1 A 27 27 ASP H H 27 8.654 8.445 0.209 1
1 236 . 15 1 1 A 27 27 ASP HA H 27 4.238 4.481 -0.243 1
1 239 . 15 1 1 A 27 27 ASP C C 27 177.429 177.390 0.039 1
1 240 . 15 1 1 A 27 27 ASP CA C 27 56.717 57.341 -0.624 1
1 241 . 15 1 1 A 27 27 ASP CB C 27 40.406 41.852 -1.446 1
1 242 . 15 1 1 A 27 27 ASP N N 27 116.555 119.284 -2.729 1
1 243 . 15 1 1 A 28 28 ALA H H 28 7.262 7.769 -0.507 1
1 244 . 15 1 1 A 28 28 ALA HA H 28 4.316 4.289 0.027 1
1 248 . 15 1 1 A 28 28 ALA C C 28 177.891 177.483 0.408 1
1 249 . 15 1 1 A 28 28 ALA CA C 28 52.839 53.270 -0.431 1
1 250 . 15 1 1 A 28 28 ALA CB C 28 19.698 20.123 -0.425 1
1 251 . 15 1 1 A 28 28 ALA N N 28 120.441 119.405 1.036 1
1 252 . 15 1 1 A 29 29 ASN H H 29 8.346 8.279 0.067 1
1 253 . 15 1 1 A 29 29 ASN HA H 29 4.432 4.830 -0.398 1
1 258 . 15 1 1 A 29 29 ASN C C 29 172.259 174.299 -2.040 1
1 259 . 15 1 1 A 29 29 ASN CA C 29 52.943 52.297 0.646 1
1 260 . 15 1 1 A 29 29 ASN CB C 29 38.435 41.158 -2.723 1
1 261 . 15 1 1 A 29 29 ASN N N 29 118.701 114.682 4.019 1
1 263 . 15 1 1 A 30 30 ALA H H 30 8.177 8.069 0.108 1
1 264 . 15 1 1 A 30 30 ALA HA H 30 4.010 4.599 -0.589 1
1 268 . 15 1 1 A 30 30 ALA C C 30 176.798 176.683 0.115 1
1 269 . 15 1 1 A 30 30 ALA CA C 30 52.980 50.732 2.248 1
1 270 . 15 1 1 A 30 30 ALA CB C 30 19.233 19.230 0.003 1
1 271 . 15 1 1 A 30 30 ALA N N 30 124.112 127.920 -3.808 1
1 272 . 15 1 1 A 31 31 TYR H H 31 7.984 7.517 0.467 1
1 273 . 15 1 1 A 31 31 TYR HA H 31 4.672 5.152 -0.480 1
1 280 . 15 1 1 A 31 31 TYR C C 31 172.283 173.151 -0.868 1
1 281 . 15 1 1 A 31 31 TYR CA C 31 55.483 55.526 -0.043 1
1 282 . 15 1 1 A 31 31 TYR CB C 31 39.058 38.325 0.733 1
1 287 . 15 1 1 A 31 31 TYR N N 31 115.568 117.721 -2.153 1
1 288 . 15 1 1 A 32 32 PRO HA H 32 4.249 4.636 -0.387 1
1 295 . 15 1 1 A 32 32 PRO C C 32 176.871 176.727 0.144 1
1 296 . 15 1 1 A 32 32 PRO CA C 32 62.710 62.976 -0.266 1
1 297 . 15 1 1 A 32 32 PRO CB C 32 29.959 32.472 -2.513 1
1 300 . 15 1 1 A 33 33 LYS H H 33 9.168 8.765 0.403 1
1 301 . 15 1 1 A 33 33 LYS HA H 33 4.426 4.808 -0.382 1
1 310 . 15 1 1 A 33 33 LYS C C 33 178.061 177.920 0.141 1
1 311 . 15 1 1 A 33 33 LYS CA C 33 55.236 55.056 0.180 1
1 312 . 15 1 1 A 33 33 LYS CB C 33 33.980 33.895 0.085 1
1 316 . 15 1 1 A 33 33 LYS N N 33 121.451 121.529 -0.078 1
1 317 . 15 1 1 A 34 34 ASP H H 34 9.017 9.056 -0.039 1
1 318 . 15 1 1 A 34 34 ASP HA H 34 4.566 4.223 0.343 1
1 321 . 15 1 1 A 34 34 ASP C C 34 179.007 177.815 1.192 1
1 322 . 15 1 1 A 34 34 ASP CA C 34 58.973 58.080 0.893 1
1 323 . 15 1 1 A 34 34 ASP CB C 34 39.834 41.142 -1.308 1
1 324 . 15 1 1 A 34 34 ASP N N 34 122.268 123.927 -1.659 1
1 325 . 15 1 1 A 35 35 ASP H H 35 8.955 8.290 0.665 1
1 326 . 15 1 1 A 35 35 ASP HA H 35 4.408 4.408 0.000 1
1 329 . 15 1 1 A 35 35 ASP C C 35 178.837 178.708 0.129 1
1 330 . 15 1 1 A 35 35 ASP CA C 35 56.611 58.020 -1.409 1
1 331 . 15 1 1 A 35 35 ASP CB C 35 39.609 41.819 -2.210 1
1 332 . 15 1 1 A 35 35 ASP N N 35 116.861 119.038 -2.177 1
1 333 . 15 1 1 A 36 36 GLU H H 36 7.208 7.907 -0.699 1
1 334 . 15 1 1 A 36 36 GLU HA H 36 4.051 4.020 0.031 1
1 339 . 15 1 1 A 36 36 GLU C C 36 179.226 179.096 0.130 1
1 340 . 15 1 1 A 36 36 GLU CA C 36 58.761 59.172 -0.411 1
1 341 . 15 1 1 A 36 36 GLU CB C 36 29.689 29.367 0.322 1
1 343 . 15 1 1 A 36 36 GLU N N 36 121.585 118.566 3.019 1
1 344 . 15 1 1 A 37 37 PHE H H 37 7.997 8.527 -0.530 1
1 345 . 15 1 1 A 37 37 PHE HA H 37 4.164 3.989 0.175 1
1 353 . 15 1 1 A 37 37 PHE C C 37 178.400 178.156 0.244 1
1 354 . 15 1 1 A 37 37 PHE CA C 37 61.915 61.319 0.596 1
1 355 . 15 1 1 A 37 37 PHE CB C 37 38.320 38.176 0.144 1
1 361 . 15 1 1 A 37 37 PHE N N 37 118.258 119.098 -0.840 1
1 362 . 15 1 1 A 38 38 GLU H H 38 7.806 8.239 -0.433 1
1 363 . 15 1 1 A 38 38 GLU HA H 38 4.027 4.034 -0.007 1
1 368 . 15 1 1 A 38 38 GLU C C 38 178.764 179.138 -0.374 1
1 369 . 15 1 1 A 38 38 GLU CA C 38 59.325 60.064 -0.739 1
1 370 . 15 1 1 A 38 38 GLU CB C 38 29.083 29.304 -0.221 1
1 372 . 15 1 1 A 38 38 GLU N N 38 118.433 119.485 -1.052 1
1 373 . 15 1 1 A 39 39 GLN H H 39 7.845 8.196 -0.351 1
1 374 . 15 1 1 A 39 39 GLN HA H 39 4.149 3.842 0.307 1
1 381 . 15 1 1 A 39 39 GLN C C 39 179.541 178.747 0.794 1
1 382 . 15 1 1 A 39 39 GLN CA C 39 59.184 59.116 0.068 1
1 383 . 15 1 1 A 39 39 GLN CB C 39 28.097 28.146 -0.049 1
1 385 . 15 1 1 A 39 39 GLN N N 39 119.859 118.869 0.990 1
1 387 . 15 1 1 A 40 40 LEU H H 40 8.130 7.431 0.699 1
1 388 . 15 1 1 A 40 40 LEU HA H 40 3.938 4.038 -0.100 1
1 398 . 15 1 1 A 40 40 LEU C C 40 178.158 179.146 -0.988 1
1 399 . 15 1 1 A 40 40 LEU CA C 40 58.092 57.531 0.561 1
1 400 . 15 1 1 A 40 40 LEU CB C 40 43.194 41.100 2.094 1
1 404 . 15 1 1 A 40 40 LEU N N 40 120.785 119.827 0.958 1
1 405 . 15 1 1 A 41 41 SER H H 41 8.241 8.487 -0.246 1
1 406 . 15 1 1 A 41 41 SER HA H 41 4.251 4.161 0.090 1
1 409 . 15 1 1 A 41 41 SER C C 41 177.891 177.184 0.707 1
1 410 . 15 1 1 A 41 41 SER CA C 41 61.194 61.457 -0.263 1
1 411 . 15 1 1 A 41 41 SER CB C 41 63.501 62.460 1.041 1
1 412 . 15 1 1 A 41 41 SER N N 41 114.804 113.688 1.116 1
1 413 . 15 1 1 A 42 42 ASN H H 42 7.969 7.974 -0.005 1
1 414 . 15 1 1 A 42 42 ASN HA H 42 4.515 4.618 -0.103 1
1 419 . 15 1 1 A 42 42 ASN C C 42 177.381 177.907 -0.526 1
1 420 . 15 1 1 A 42 42 ASN CA C 42 55.871 56.207 -0.336 1
1 421 . 15 1 1 A 42 42 ASN CB C 42 38.920 38.722 0.198 1
1 422 . 15 1 1 A 42 42 ASN N N 42 118.051 120.943 -2.892 1
1 424 . 15 1 1 A 43 43 LEU H H 43 8.169 7.572 0.597 1
1 425 . 15 1 1 A 43 43 LEU HA H 43 4.189 4.101 0.088 1
1 435 . 15 1 1 A 43 43 LEU C C 43 178.837 178.796 0.041 1
1 436 . 15 1 1 A 43 43 LEU CA C 43 57.845 58.177 -0.332 1
1 437 . 15 1 1 A 43 43 LEU CB C 43 43.382 42.129 1.253 1
1 441 . 15 1 1 A 43 43 LEU N N 43 120.419 121.610 -1.191 1
1 442 . 15 1 1 A 44 44 LEU H H 44 8.185 7.954 0.231 1
1 443 . 15 1 1 A 44 44 LEU HA H 44 4.445 4.163 0.282 1
1 453 . 15 1 1 A 44 44 LEU C C 44 176.677 176.006 0.671 1
1 454 . 15 1 1 A 44 44 LEU CA C 44 54.397 55.047 -0.650 1
1 455 . 15 1 1 A 44 44 LEU CB C 44 43.111 42.134 0.977 1
1 459 . 15 1 1 A 44 44 LEU N N 44 113.030 118.212 -5.182 1
1 460 . 15 1 1 A 45 45 ASN H H 45 8.100 8.019 0.081 1
1 461 . 15 1 1 A 45 45 ASN HA H 45 4.440 4.412 0.028 1
1 466 . 15 1 1 A 45 45 ASN C C 45 174.395 173.760 0.635 1
1 467 . 15 1 1 A 45 45 ASN CA C 45 54.073 54.436 -0.363 1
1 468 . 15 1 1 A 45 45 ASN CB C 45 36.970 36.728 0.242 1
1 469 . 15 1 1 A 45 45 ASN N N 45 117.438 115.484 1.954 1
1 471 . 15 1 1 A 46 46 LEU H H 46 7.476 7.392 0.084 1
1 472 . 15 1 1 A 46 46 LEU HA H 46 4.980 4.823 0.157 1
1 482 . 15 1 1 A 46 46 LEU C C 46 173.691 174.690 -0.999 1
1 483 . 15 1 1 A 46 46 LEU CA C 46 51.032 51.742 -0.710 1
1 484 . 15 1 1 A 46 46 LEU CB C 46 46.668 43.728 2.940 1
1 488 . 15 1 1 A 46 46 LEU N N 46 117.604 119.253 -1.649 1
1 489 . 15 1 1 A 47 47 PRO HA H 47 4.515 4.688 -0.173 1
1 496 . 15 1 1 A 47 47 PRO C C 47 177.915 177.647 0.268 1
1 497 . 15 1 1 A 47 47 PRO CA C 47 62.392 62.864 -0.472 1
1 498 . 15 1 1 A 47 47 PRO CB C 47 32.592 31.816 0.776 1
1 501 . 15 1 1 A 48 48 THR H H 48 8.818 8.682 0.136 1
1 502 . 15 1 1 A 48 48 THR HA H 48 3.590 4.007 -0.417 1
1 507 . 15 1 1 A 48 48 THR C C 48 176.628 175.927 0.701 1
1 508 . 15 1 1 A 48 48 THR CA C 48 67.384 65.567 1.817 1
1 509 . 15 1 1 A 48 48 THR CB C 48 67.996 68.479 -0.483 1
1 511 . 15 1 1 A 48 48 THR N N 48 120.240 118.715 1.525 1
1 512 . 15 1 1 A 49 49 ARG H H 49 8.750 8.254 0.496 1
1 513 . 15 1 1 A 49 49 ARG HA H 49 3.899 4.076 -0.177 1
1 520 . 15 1 1 A 49 49 ARG C C 49 178.012 178.394 -0.382 1
1 521 . 15 1 1 A 49 49 ARG CA C 49 59.079 58.684 0.395 1
1 522 . 15 1 1 A 49 49 ARG CB C 49 29.474 30.178 -0.704 1
1 525 . 15 1 1 A 49 49 ARG N N 49 117.541 120.968 -3.427 1
1 526 . 15 1 1 A 50 50 VAL H H 50 6.994 8.103 -1.109 1
1 527 . 15 1 1 A 50 50 VAL HA H 50 3.885 3.759 0.126 1
1 535 . 15 1 1 A 50 50 VAL C C 50 178.400 178.293 0.107 1
1 536 . 15 1 1 A 50 50 VAL CA C 50 65.099 66.250 -1.151 1
1 537 . 15 1 1 A 50 50 VAL CB C 50 31.909 31.756 0.153 1
1 540 . 15 1 1 A 50 50 VAL N N 50 115.765 120.328 -4.563 1
1 541 . 15 1 1 A 51 51 ILE H H 51 7.358 8.105 -0.747 1
1 542 . 15 1 1 A 51 51 ILE HA H 51 3.814 3.895 -0.081 1
1 552 . 15 1 1 A 51 51 ILE C C 51 177.648 178.925 -1.277 1
1 553 . 15 1 1 A 51 51 ILE CA C 51 65.318 64.282 1.036 1
1 554 . 15 1 1 A 51 51 ILE CB C 51 38.017 36.501 1.516 1
1 558 . 15 1 1 A 51 51 ILE N N 51 122.170 120.064 2.106 1
1 559 . 15 1 1 A 52 52 VAL H H 52 8.401 8.548 -0.147 1
1 560 . 15 1 1 A 52 52 VAL HA H 52 3.290 3.697 -0.407 1
1 568 . 15 1 1 A 52 52 VAL C C 52 179.177 178.147 1.030 1
1 569 . 15 1 1 A 52 52 VAL CA C 52 67.021 66.892 0.129 1
1 570 . 15 1 1 A 52 52 VAL CB C 52 31.583 31.641 -0.058 1
1 573 . 15 1 1 A 52 52 VAL N N 52 121.321 121.594 -0.273 1
1 574 . 15 1 1 A 53 53 VAL H H 53 7.691 7.683 0.008 1
1 575 . 15 1 1 A 53 53 VAL HA H 53 3.711 3.782 -0.071 1
1 583 . 15 1 1 A 53 53 VAL C C 53 177.648 178.237 -0.589 1
1 584 . 15 1 1 A 53 53 VAL CA C 53 66.531 66.358 0.173 1
1 585 . 15 1 1 A 53 53 VAL CB C 53 31.936 31.613 0.323 1
1 588 . 15 1 1 A 53 53 VAL N N 53 119.305 119.284 0.021 1
1 589 . 15 1 1 A 54 54 TRP H H 54 8.127 7.916 0.211 1
1 590 . 15 1 1 A 54 54 TRP HA H 54 4.016 4.323 -0.307 1
1 599 . 15 1 1 A 54 54 TRP C C 54 180.100 178.442 1.658 1
1 600 . 15 1 1 A 54 54 TRP CA C 54 63.534 61.293 2.241 1
1 601 . 15 1 1 A 54 54 TRP CB C 54 28.747 29.548 -0.801 1
1 607 . 15 1 1 A 54 54 TRP N N 54 122.197 121.693 0.504 1
1 609 . 15 1 1 A 55 55 PHE H H 55 8.964 8.716 0.248 1
1 610 . 15 1 1 A 55 55 PHE HA H 55 3.843 4.526 -0.683 1
1 618 . 15 1 1 A 55 55 PHE C C 55 178.158 178.574 -0.416 1
1 619 . 15 1 1 A 55 55 PHE CA C 55 63.309 62.423 0.886 1
1 620 . 15 1 1 A 55 55 PHE CB C 55 39.818 39.000 0.818 1
1 626 . 15 1 1 A 55 55 PHE N N 55 119.663 118.739 0.924 1
1 627 . 15 1 1 A 56 56 GLN H H 56 8.412 8.800 -0.388 1
1 628 . 15 1 1 A 56 56 GLN HA H 56 3.984 4.037 -0.053 1
1 635 . 15 1 1 A 56 56 GLN C C 56 179.420 179.155 0.265 1
1 636 . 15 1 1 A 56 56 GLN CA C 56 59.678 59.220 0.458 1
1 637 . 15 1 1 A 56 56 GLN CB C 56 27.981 28.332 -0.351 1
1 639 . 15 1 1 A 56 56 GLN N N 56 118.932 118.028 0.904 1
1 641 . 15 1 1 A 57 57 ASN H H 57 8.358 7.954 0.404 1
1 642 . 15 1 1 A 57 57 ASN HA H 57 4.302 4.488 -0.186 1
1 647 . 15 1 1 A 57 57 ASN C C 57 177.308 177.581 -0.273 1
1 648 . 15 1 1 A 57 57 ASN CA C 57 55.836 56.152 -0.316 1
1 649 . 15 1 1 A 57 57 ASN CB C 57 38.123 38.538 -0.415 1
1 650 . 15 1 1 A 57 57 ASN N N 57 118.552 118.490 0.062 1
1 652 . 15 1 1 A 58 58 ALA H H 58 8.097 7.809 0.288 1
1 653 . 15 1 1 A 58 58 ALA HA H 58 3.280 3.518 -0.238 1
1 657 . 15 1 1 A 58 58 ALA C C 58 180.512 180.015 0.497 1
1 658 . 15 1 1 A 58 58 ALA CA C 58 54.711 54.731 -0.020 1
1 659 . 15 1 1 A 58 58 ALA CB C 58 16.685 17.517 -0.832 1
1 660 . 15 1 1 A 58 58 ALA N N 58 125.426 121.823 3.603 1
1 661 . 15 1 1 A 59 59 ARG H H 59 8.104 7.634 0.470 1
1 662 . 15 1 1 A 59 59 ARG HA H 59 4.159 4.391 -0.232 1
1 669 . 15 1 1 A 59 59 ARG C C 59 178.570 179.037 -0.467 1
1 670 . 15 1 1 A 59 59 ARG CA C 59 59.916 59.778 0.138 1
1 671 . 15 1 1 A 59 59 ARG CB C 59 31.344 30.223 1.121 1
1 674 . 15 1 1 A 59 59 ARG N N 59 117.308 117.394 -0.086 1
1 675 . 15 1 1 A 60 60 GLN H H 60 7.532 7.807 -0.275 1
1 676 . 15 1 1 A 60 60 GLN HA H 60 4.118 4.060 0.058 1
1 683 . 15 1 1 A 60 60 GLN C C 60 178.036 178.967 -0.931 1
1 684 . 15 1 1 A 60 60 GLN CA C 60 58.021 58.765 -0.744 1
1 685 . 15 1 1 A 60 60 GLN CB C 60 28.460 28.429 0.031 1
1 687 . 15 1 1 A 60 60 GLN N N 60 118.195 118.635 -0.440 1
1 689 . 15 1 1 A 61 61 LYS H H 61 7.738 8.405 -0.667 1
1 690 . 15 1 1 A 61 61 LYS HA H 61 4.038 4.046 -0.008 1
1 699 . 15 1 1 A 61 61 LYS C C 61 177.454 179.007 -1.553 1
1 700 . 15 1 1 A 61 61 LYS CA C 61 57.938 59.147 -1.209 1
1 701 . 15 1 1 A 61 61 LYS CB C 61 32.497 31.910 0.587 1
1 705 . 15 1 1 A 61 61 LYS N N 61 119.476 118.907 0.569 1
1 706 . 15 1 1 A 62 62 ALA H H 62 7.699 8.038 -0.339 1
1 707 . 15 1 1 A 62 62 ALA HA H 62 4.265 4.120 0.145 1
1 711 . 15 1 1 A 62 62 ALA C C 62 177.818 178.435 -0.617 1
1 712 . 15 1 1 A 62 62 ALA CA C 62 52.945 55.090 -2.145 1
1 713 . 15 1 1 A 62 62 ALA CB C 62 18.904 18.262 0.642 1
1 714 . 15 1 1 A 62 62 ALA N N 62 121.322 122.022 -0.700 1
1 715 . 15 1 1 A 63 63 ARG H H 63 7.831 7.406 0.425 1
1 716 . 15 1 1 A 63 63 ARG HA H 63 4.237 4.302 -0.065 1
1 722 . 15 1 1 A 63 63 ARG C C 63 176.580 177.508 -0.928 1
1 723 . 15 1 1 A 63 63 ARG CA C 63 56.717 56.621 0.096 1
1 724 . 15 1 1 A 63 63 ARG CB C 63 30.124 30.601 -0.477 1
1 727 . 15 1 1 A 63 63 ARG N N 63 118.592 117.860 0.732 1
1 728 . 15 1 1 A 64 64 LYS H H 64 8.213 9.045 -0.832 1
1 729 . 15 1 1 A 64 64 LYS HA H 64 4.365 3.886 0.479 1
1 738 . 15 1 1 A 64 64 LYS C C 64 176.677 177.078 -0.401 1
1 739 . 15 1 1 A 64 64 LYS CA C 64 56.329 60.348 -4.019 1
1 740 . 15 1 1 A 64 64 LYS CB C 64 32.906 32.527 0.379 1
1 744 . 15 1 1 A 64 64 LYS N N 64 121.456 126.839 -5.383 1
1 745 . 15 1 1 A 65 65 SER H H 65 8.289 8.019 0.270 1
1 746 . 15 1 1 A 65 65 SER HA H 65 4.510 4.458 0.052 1
1 749 . 15 1 1 A 65 65 SER C C 65 174.492 174.084 0.408 1
1 750 . 15 1 1 A 65 65 SER CA C 65 58.303 58.210 0.093 1
1 751 . 15 1 1 A 65 65 SER CB C 65 64.052 62.925 1.127 1
1 752 . 15 1 1 A 65 65 SER N N 65 116.719 110.896 5.823 1
1 753 . 15 1 1 A 66 66 GLY H H 66 8.242 8.539 -0.297 1
1 754 . 15 1 1 A 66 66 GLY HA2 H 66 4.120 4.017 0.103 1
1 755 . 15 1 1 A 66 66 GLY HA3 H 66 4.148 4.018 0.130 1
1 756 . 15 1 1 A 66 66 GLY C C 66 171.798 174.176 -2.378 1
1 757 . 15 1 1 A 66 66 GLY CA C 66 44.687 45.732 -1.045 1
1 758 . 15 1 1 A 66 66 GLY N N 66 110.632 111.514 -0.882 1
1 759 . 15 1 1 A 67 67 PRO HA H 67 4.458 4.684 -0.226 1
1 766 . 15 1 1 A 67 67 PRO C C 67 177.429 176.752 0.677 1
1 767 . 15 1 1 A 67 67 PRO CA C 67 63.309 62.731 0.578 1
1 768 . 15 1 1 A 67 67 PRO CB C 67 32.200 31.619 0.581 1
1 771 . 15 1 1 A 68 68 SER H H 68 8.535 8.948 -0.413 1
1 772 . 15 1 1 A 68 68 SER HA H 68 4.482 4.717 -0.235 1
1 775 . 15 1 1 A 68 68 SER C C 68 174.638 173.652 0.986 1
1 776 . 15 1 1 A 68 68 SER CA C 68 58.444 57.749 0.695 1
1 777 . 15 1 1 A 68 68 SER CB C 68 63.838 63.610 0.228 1
1 778 . 15 1 1 A 68 68 SER N N 68 116.359 120.553 -4.194 1
1 779 . 15 1 1 A 69 69 SER H H 69 8.300 7.459 0.841 1
1 780 . 15 1 1 A 69 69 SER HA H 69 4.477 4.423 0.054 1
1 783 . 15 1 1 A 69 69 SER C C 69 173.934 174.262 -0.328 1
1 784 . 15 1 1 A 69 69 SER CA C 69 58.374 58.773 -0.399 1
1 785 . 15 1 1 A 69 69 SER CB C 69 64.134 64.227 -0.093 1
1 786 . 15 1 1 A 69 69 SER N N 69 117.715 117.708 0.007 1
1 1 . 16 1 1 A 10 10 SER HA H 10 4.461 4.200 0.261 1
1 4 . 16 1 1 A 10 10 SER C C 10 174.492 173.997 0.495 1
1 5 . 16 1 1 A 10 10 SER CA C 10 58.479 60.568 -2.089 1
1 6 . 16 1 1 A 10 10 SER CB C 10 63.932 63.536 0.396 1
1 7 . 16 1 1 A 11 11 ARG H H 11 8.318 9.105 -0.787 1
1 8 . 16 1 1 A 11 11 ARG HA H 11 4.391 4.493 -0.102 1
1 15 . 16 1 1 A 11 11 ARG C C 11 176.264 175.302 0.962 1
1 16 . 16 1 1 A 11 11 ARG CA C 11 56.118 57.282 -1.164 1
1 17 . 16 1 1 A 11 11 ARG CB C 11 30.849 32.693 -1.844 1
1 20 . 16 1 1 A 11 11 ARG N N 11 122.795 127.619 -4.824 1
1 21 . 16 1 1 A 12 12 THR H H 12 8.159 7.870 0.289 1
1 22 . 16 1 1 A 12 12 THR HA H 12 4.150 4.540 -0.390 1
1 27 . 16 1 1 A 12 12 THR C C 12 173.740 171.956 1.784 1
1 28 . 16 1 1 A 12 12 THR CA C 12 62.463 60.901 1.562 1
1 29 . 16 1 1 A 12 12 THR CB C 12 69.770 70.892 -1.122 1
1 31 . 16 1 1 A 12 12 THR N N 12 117.261 112.301 4.960 1
1 32 . 16 1 1 A 13 13 ARG H H 13 8.319 8.855 -0.536 1
1 33 . 16 1 1 A 13 13 ARG HA H 13 4.332 4.800 -0.468 1
1 40 . 16 1 1 A 13 13 ARG C C 13 175.560 175.248 0.312 1
1 41 . 16 1 1 A 13 13 ARG CA C 13 55.518 54.864 0.654 1
1 42 . 16 1 1 A 13 13 ARG CB C 13 30.763 31.940 -1.177 1
1 45 . 16 1 1 A 13 13 ARG N N 13 125.163 127.368 -2.205 1
1 46 . 16 1 1 A 14 14 PHE H H 14 8.195 9.236 -1.041 1
1 47 . 16 1 1 A 14 14 PHE HA H 14 4.952 5.093 -0.141 1
1 55 . 16 1 1 A 14 14 PHE C C 14 176.993 174.456 2.537 1
1 56 . 16 1 1 A 14 14 PHE CA C 14 56.859 56.969 -0.110 1
1 57 . 16 1 1 A 14 14 PHE CB C 14 41.107 41.854 -0.747 1
1 63 . 16 1 1 A 14 14 PHE N N 14 121.558 122.851 -1.293 1
1 64 . 16 1 1 A 15 15 THR H H 15 8.999 8.525 0.474 1
1 65 . 16 1 1 A 15 15 THR HA H 15 4.491 4.848 -0.357 1
1 70 . 16 1 1 A 15 15 THR C C 15 174.856 175.151 -0.295 1
1 71 . 16 1 1 A 15 15 THR CA C 15 60.559 59.906 0.653 1
1 72 . 16 1 1 A 15 15 THR CB C 15 70.890 71.203 -0.313 1
1 74 . 16 1 1 A 15 15 THR N N 15 113.369 115.118 -1.749 1
1 75 . 16 1 1 A 16 16 ASP H H 16 8.906 9.226 -0.320 1
1 76 . 16 1 1 A 16 16 ASP HA H 16 4.333 4.286 0.047 1
1 79 . 16 1 1 A 16 16 ASP C C 16 178.764 178.013 0.751 1
1 80 . 16 1 1 A 16 16 ASP CA C 16 57.911 58.224 -0.313 1
1 81 . 16 1 1 A 16 16 ASP CB C 16 39.994 40.323 -0.329 1
1 82 . 16 1 1 A 16 16 ASP N N 16 120.884 127.021 -6.137 1
1 83 . 16 1 1 A 17 17 TYR H H 17 8.356 8.167 0.189 1
1 84 . 16 1 1 A 17 17 TYR HA H 17 4.211 4.116 0.095 1
1 91 . 16 1 1 A 17 17 TYR C C 17 176.264 177.652 -1.388 1
1 92 . 16 1 1 A 17 17 TYR CA C 17 61.045 61.953 -0.908 1
1 93 . 16 1 1 A 17 17 TYR CB C 17 38.666 38.807 -0.141 1
1 98 . 16 1 1 A 17 17 TYR N N 17 119.909 122.254 -2.345 1
1 99 . 16 1 1 A 18 18 GLN H H 18 7.582 7.926 -0.344 1
1 100 . 16 1 1 A 18 18 GLN HA H 18 3.482 3.469 0.013 1
1 107 . 16 1 1 A 18 18 GLN C C 18 177.502 178.669 -1.167 1
1 108 . 16 1 1 A 18 18 GLN CA C 18 58.726 58.769 -0.043 1
1 109 . 16 1 1 A 18 18 GLN CB C 18 27.717 28.380 -0.663 1
1 111 . 16 1 1 A 18 18 GLN N N 18 116.647 118.790 -2.143 1
1 113 . 16 1 1 A 19 19 LEU H H 19 8.170 8.640 -0.470 1
1 114 . 16 1 1 A 19 19 LEU HA H 19 3.508 3.667 -0.159 1
1 124 . 16 1 1 A 19 19 LEU C C 19 178.546 179.070 -0.524 1
1 125 . 16 1 1 A 19 19 LEU CA C 19 57.625 57.842 -0.217 1
1 126 . 16 1 1 A 19 19 LEU CB C 19 41.812 41.351 0.461 1
1 130 . 16 1 1 A 19 19 LEU N N 19 115.406 119.915 -4.509 1
1 131 . 16 1 1 A 20 20 ARG H H 20 7.792 8.122 -0.330 1
1 132 . 16 1 1 A 20 20 ARG HA H 20 3.917 3.928 -0.011 1
1 138 . 16 1 1 A 20 20 ARG C C 20 178.036 178.555 -0.519 1
1 139 . 16 1 1 A 20 20 ARG CA C 20 59.026 58.836 0.190 1
1 140 . 16 1 1 A 20 20 ARG CB C 20 29.861 29.943 -0.082 1
1 143 . 16 1 1 A 20 20 ARG N N 20 120.360 120.650 -0.290 1
1 144 . 16 1 1 A 21 21 VAL H H 21 7.601 7.312 0.289 1
1 145 . 16 1 1 A 21 21 VAL HA H 21 3.533 3.580 -0.047 1
1 153 . 16 1 1 A 21 21 VAL C C 21 179.541 177.975 1.566 1
1 154 . 16 1 1 A 21 21 VAL CA C 21 66.327 66.002 0.325 1
1 155 . 16 1 1 A 21 21 VAL CB C 21 31.509 31.417 0.092 1
1 158 . 16 1 1 A 21 21 VAL N N 21 119.151 119.264 -0.113 1
1 159 . 16 1 1 A 22 22 LEU H H 22 7.898 8.276 -0.378 1
1 160 . 16 1 1 A 22 22 LEU HA H 22 3.513 3.781 -0.268 1
1 170 . 16 1 1 A 22 22 LEU C C 22 177.527 179.064 -1.537 1
1 171 . 16 1 1 A 22 22 LEU CA C 22 58.181 58.071 0.110 1
1 172 . 16 1 1 A 22 22 LEU CB C 22 38.573 40.744 -2.171 1
1 176 . 16 1 1 A 22 22 LEU N N 22 119.825 119.509 0.316 1
1 177 . 16 1 1 A 23 23 GLN H H 23 8.171 8.298 -0.127 1
1 178 . 16 1 1 A 23 23 GLN HA H 23 3.925 3.938 -0.013 1
1 185 . 16 1 1 A 23 23 GLN C C 23 178.061 177.341 0.720 1
1 186 . 16 1 1 A 23 23 GLN CA C 23 58.832 58.923 -0.091 1
1 187 . 16 1 1 A 23 23 GLN CB C 23 28.769 28.496 0.273 1
1 189 . 16 1 1 A 23 23 GLN N N 23 118.186 118.029 0.157 1
1 191 . 16 1 1 A 24 24 ASP H H 24 8.446 7.855 0.591 1
1 192 . 16 1 1 A 24 24 ASP HA H 24 4.373 4.439 -0.066 1
1 195 . 16 1 1 A 24 24 ASP C C 24 179.347 178.686 0.661 1
1 196 . 16 1 1 A 24 24 ASP CA C 24 57.294 57.258 0.036 1
1 197 . 16 1 1 A 24 24 ASP CB C 24 40.035 40.954 -0.919 1
1 198 . 16 1 1 A 24 24 ASP N N 24 118.634 119.482 -0.848 1
1 199 . 16 1 1 A 25 25 PHE H H 25 8.224 8.274 -0.050 1
1 200 . 16 1 1 A 25 25 PHE HA H 25 4.062 4.294 -0.232 1
1 208 . 16 1 1 A 25 25 PHE C C 25 177.891 177.640 0.251 1
1 209 . 16 1 1 A 25 25 PHE CA C 25 61.546 60.849 0.697 1
1 210 . 16 1 1 A 25 25 PHE CB C 25 39.246 39.113 0.133 1
1 216 . 16 1 1 A 25 25 PHE N N 25 121.633 119.982 1.651 1
1 217 . 16 1 1 A 26 26 PHE H H 26 9.167 8.204 0.963 1
1 218 . 16 1 1 A 26 26 PHE HA H 26 4.302 4.594 -0.292 1
1 226 . 16 1 1 A 26 26 PHE C C 26 176.531 177.014 -0.483 1
1 227 . 16 1 1 A 26 26 PHE CA C 26 61.476 61.443 0.033 1
1 228 . 16 1 1 A 26 26 PHE CB C 26 39.471 38.977 0.494 1
1 234 . 16 1 1 A 26 26 PHE N N 26 121.265 119.963 1.302 1
1 235 . 16 1 1 A 27 27 ASP H H 27 8.654 8.451 0.203 1
1 236 . 16 1 1 A 27 27 ASP HA H 27 4.238 4.520 -0.282 1
1 239 . 16 1 1 A 27 27 ASP C C 27 177.429 177.421 0.008 1
1 240 . 16 1 1 A 27 27 ASP CA C 27 56.717 57.349 -0.632 1
1 241 . 16 1 1 A 27 27 ASP CB C 27 40.406 41.864 -1.458 1
1 242 . 16 1 1 A 27 27 ASP N N 27 116.555 119.347 -2.792 1
1 243 . 16 1 1 A 28 28 ALA H H 28 7.262 7.802 -0.540 1
1 244 . 16 1 1 A 28 28 ALA HA H 28 4.316 4.323 -0.007 1
1 248 . 16 1 1 A 28 28 ALA C C 28 177.891 177.488 0.403 1
1 249 . 16 1 1 A 28 28 ALA CA C 28 52.839 53.304 -0.465 1
1 250 . 16 1 1 A 28 28 ALA CB C 28 19.698 20.119 -0.421 1
1 251 . 16 1 1 A 28 28 ALA N N 28 120.441 119.443 0.998 1
1 252 . 16 1 1 A 29 29 ASN H H 29 8.346 8.334 0.012 1
1 253 . 16 1 1 A 29 29 ASN HA H 29 4.432 5.049 -0.617 1
1 258 . 16 1 1 A 29 29 ASN C C 29 172.259 174.489 -2.230 1
1 259 . 16 1 1 A 29 29 ASN CA C 29 52.943 52.568 0.375 1
1 260 . 16 1 1 A 29 29 ASN CB C 29 38.435 41.344 -2.909 1
1 261 . 16 1 1 A 29 29 ASN N N 29 118.701 114.964 3.737 1
1 263 . 16 1 1 A 30 30 ALA H H 30 8.177 8.687 -0.510 1
1 264 . 16 1 1 A 30 30 ALA HA H 30 4.010 4.771 -0.761 1
1 268 . 16 1 1 A 30 30 ALA C C 30 176.798 176.712 0.086 1
1 269 . 16 1 1 A 30 30 ALA CA C 30 52.980 50.961 2.019 1
1 270 . 16 1 1 A 30 30 ALA CB C 30 19.233 19.439 -0.206 1
1 271 . 16 1 1 A 30 30 ALA N N 30 124.112 128.351 -4.239 1
1 272 . 16 1 1 A 31 31 TYR H H 31 7.984 7.868 0.116 1
1 273 . 16 1 1 A 31 31 TYR HA H 31 4.672 5.163 -0.491 1
1 280 . 16 1 1 A 31 31 TYR C C 31 172.283 173.149 -0.866 1
1 281 . 16 1 1 A 31 31 TYR CA C 31 55.483 55.539 -0.056 1
1 282 . 16 1 1 A 31 31 TYR CB C 31 39.058 38.334 0.724 1
1 287 . 16 1 1 A 31 31 TYR N N 31 115.568 117.744 -2.176 1
1 288 . 16 1 1 A 32 32 PRO HA H 32 4.249 4.705 -0.456 1
1 295 . 16 1 1 A 32 32 PRO C C 32 176.871 176.681 0.190 1
1 296 . 16 1 1 A 32 32 PRO CA C 32 62.710 62.892 -0.182 1
1 297 . 16 1 1 A 32 32 PRO CB C 32 29.959 32.653 -2.694 1
1 300 . 16 1 1 A 33 33 LYS H H 33 9.168 8.673 0.495 1
1 301 . 16 1 1 A 33 33 LYS HA H 33 4.426 4.828 -0.402 1
1 310 . 16 1 1 A 33 33 LYS C C 33 178.061 177.621 0.440 1
1 311 . 16 1 1 A 33 33 LYS CA C 33 55.236 54.933 0.303 1
1 312 . 16 1 1 A 33 33 LYS CB C 33 33.980 34.322 -0.342 1
1 316 . 16 1 1 A 33 33 LYS N N 33 121.451 120.850 0.601 1
1 317 . 16 1 1 A 34 34 ASP H H 34 9.017 9.046 -0.029 1
1 318 . 16 1 1 A 34 34 ASP HA H 34 4.566 4.395 0.171 1
1 321 . 16 1 1 A 34 34 ASP C C 34 179.007 177.991 1.016 1
1 322 . 16 1 1 A 34 34 ASP CA C 34 58.973 57.164 1.809 1
1 323 . 16 1 1 A 34 34 ASP CB C 34 39.834 39.993 -0.159 1
1 324 . 16 1 1 A 34 34 ASP N N 34 122.268 121.631 0.637 1
1 325 . 16 1 1 A 35 35 ASP H H 35 8.955 8.262 0.693 1
1 326 . 16 1 1 A 35 35 ASP HA H 35 4.408 4.600 -0.192 1
1 329 . 16 1 1 A 35 35 ASP C C 35 178.837 178.677 0.160 1
1 330 . 16 1 1 A 35 35 ASP CA C 35 56.611 57.968 -1.357 1
1 331 . 16 1 1 A 35 35 ASP CB C 35 39.609 41.567 -1.958 1
1 332 . 16 1 1 A 35 35 ASP N N 35 116.861 119.732 -2.871 1
1 333 . 16 1 1 A 36 36 GLU H H 36 7.208 8.076 -0.868 1
1 334 . 16 1 1 A 36 36 GLU HA H 36 4.051 4.055 -0.004 1
1 339 . 16 1 1 A 36 36 GLU C C 36 179.226 179.070 0.156 1
1 340 . 16 1 1 A 36 36 GLU CA C 36 58.761 59.215 -0.454 1
1 341 . 16 1 1 A 36 36 GLU CB C 36 29.689 29.430 0.259 1
1 343 . 16 1 1 A 36 36 GLU N N 36 121.585 118.772 2.813 1
1 344 . 16 1 1 A 37 37 PHE H H 37 7.997 8.586 -0.589 1
1 345 . 16 1 1 A 37 37 PHE HA H 37 4.164 3.958 0.206 1
1 353 . 16 1 1 A 37 37 PHE C C 37 178.400 178.113 0.287 1
1 354 . 16 1 1 A 37 37 PHE CA C 37 61.915 61.276 0.639 1
1 355 . 16 1 1 A 37 37 PHE CB C 37 38.320 38.144 0.176 1
1 361 . 16 1 1 A 37 37 PHE N N 37 118.258 119.128 -0.870 1
1 362 . 16 1 1 A 38 38 GLU H H 38 7.806 8.384 -0.578 1
1 363 . 16 1 1 A 38 38 GLU HA H 38 4.027 3.965 0.062 1
1 368 . 16 1 1 A 38 38 GLU C C 38 178.764 179.233 -0.469 1
1 369 . 16 1 1 A 38 38 GLU CA C 38 59.325 60.028 -0.703 1
1 370 . 16 1 1 A 38 38 GLU CB C 38 29.083 29.278 -0.195 1
1 372 . 16 1 1 A 38 38 GLU N N 38 118.433 118.839 -0.406 1
1 373 . 16 1 1 A 39 39 GLN H H 39 7.845 8.184 -0.339 1
1 374 . 16 1 1 A 39 39 GLN HA H 39 4.149 3.830 0.319 1
1 381 . 16 1 1 A 39 39 GLN C C 39 179.541 178.941 0.600 1
1 382 . 16 1 1 A 39 39 GLN CA C 39 59.184 59.214 -0.030 1
1 383 . 16 1 1 A 39 39 GLN CB C 39 28.097 28.142 -0.045 1
1 385 . 16 1 1 A 39 39 GLN N N 39 119.859 118.797 1.062 1
1 387 . 16 1 1 A 40 40 LEU H H 40 8.130 7.486 0.644 1
1 388 . 16 1 1 A 40 40 LEU HA H 40 3.938 4.019 -0.081 1
1 398 . 16 1 1 A 40 40 LEU C C 40 178.158 178.919 -0.761 1
1 399 . 16 1 1 A 40 40 LEU CA C 40 58.092 57.602 0.490 1
1 400 . 16 1 1 A 40 40 LEU CB C 40 43.194 41.280 1.914 1
1 404 . 16 1 1 A 40 40 LEU N N 40 120.785 119.814 0.971 1
1 405 . 16 1 1 A 41 41 SER H H 41 8.241 8.530 -0.289 1
1 406 . 16 1 1 A 41 41 SER HA H 41 4.251 4.159 0.092 1
1 409 . 16 1 1 A 41 41 SER C C 41 177.891 177.108 0.783 1
1 410 . 16 1 1 A 41 41 SER CA C 41 61.194 61.517 -0.323 1
1 411 . 16 1 1 A 41 41 SER CB C 41 63.501 62.276 1.225 1
1 412 . 16 1 1 A 41 41 SER N N 41 114.804 113.494 1.310 1
1 413 . 16 1 1 A 42 42 ASN H H 42 7.969 8.008 -0.039 1
1 414 . 16 1 1 A 42 42 ASN HA H 42 4.515 4.629 -0.114 1
1 419 . 16 1 1 A 42 42 ASN C C 42 177.381 177.992 -0.611 1
1 420 . 16 1 1 A 42 42 ASN CA C 42 55.871 56.306 -0.435 1
1 421 . 16 1 1 A 42 42 ASN CB C 42 38.920 38.758 0.162 1
1 422 . 16 1 1 A 42 42 ASN N N 42 118.051 121.114 -3.063 1
1 424 . 16 1 1 A 43 43 LEU H H 43 8.169 7.509 0.660 1
1 425 . 16 1 1 A 43 43 LEU HA H 43 4.189 4.093 0.096 1
1 435 . 16 1 1 A 43 43 LEU C C 43 178.837 178.904 -0.067 1
1 436 . 16 1 1 A 43 43 LEU CA C 43 57.845 58.206 -0.361 1
1 437 . 16 1 1 A 43 43 LEU CB C 43 43.382 42.130 1.252 1
1 441 . 16 1 1 A 43 43 LEU N N 43 120.419 121.280 -0.861 1
1 442 . 16 1 1 A 44 44 LEU H H 44 8.185 8.016 0.169 1
1 443 . 16 1 1 A 44 44 LEU HA H 44 4.445 4.178 0.267 1
1 453 . 16 1 1 A 44 44 LEU C C 44 176.677 176.001 0.676 1
1 454 . 16 1 1 A 44 44 LEU CA C 44 54.397 54.975 -0.578 1
1 455 . 16 1 1 A 44 44 LEU CB C 44 43.111 42.111 1.000 1
1 459 . 16 1 1 A 44 44 LEU N N 44 113.030 118.333 -5.303 1
1 460 . 16 1 1 A 45 45 ASN H H 45 8.100 8.030 0.070 1
1 461 . 16 1 1 A 45 45 ASN HA H 45 4.440 4.568 -0.128 1
1 466 . 16 1 1 A 45 45 ASN C C 45 174.395 173.786 0.609 1
1 467 . 16 1 1 A 45 45 ASN CA C 45 54.073 54.425 -0.352 1
1 468 . 16 1 1 A 45 45 ASN CB C 45 36.970 36.881 0.089 1
1 469 . 16 1 1 A 45 45 ASN N N 45 117.438 115.495 1.943 1
1 471 . 16 1 1 A 46 46 LEU H H 46 7.476 7.768 -0.292 1
1 472 . 16 1 1 A 46 46 LEU HA H 46 4.980 4.772 0.208 1
1 482 . 16 1 1 A 46 46 LEU C C 46 173.691 174.674 -0.983 1
1 483 . 16 1 1 A 46 46 LEU CA C 46 51.032 51.926 -0.894 1
1 484 . 16 1 1 A 46 46 LEU CB C 46 46.668 42.829 3.839 1
1 488 . 16 1 1 A 46 46 LEU N N 46 117.604 119.468 -1.864 1
1 489 . 16 1 1 A 47 47 PRO HA H 47 4.515 4.665 -0.150 1
1 496 . 16 1 1 A 47 47 PRO C C 47 177.915 177.620 0.295 1
1 497 . 16 1 1 A 47 47 PRO CA C 47 62.392 62.908 -0.516 1
1 498 . 16 1 1 A 47 47 PRO CB C 47 32.592 31.878 0.714 1
1 501 . 16 1 1 A 48 48 THR H H 48 8.818 8.664 0.154 1
1 502 . 16 1 1 A 48 48 THR HA H 48 3.590 3.989 -0.399 1
1 507 . 16 1 1 A 48 48 THR C C 48 176.628 175.848 0.780 1
1 508 . 16 1 1 A 48 48 THR CA C 48 67.384 65.374 2.010 1
1 509 . 16 1 1 A 48 48 THR CB C 48 67.996 68.364 -0.368 1
1 511 . 16 1 1 A 48 48 THR N N 48 120.240 118.392 1.848 1
1 512 . 16 1 1 A 49 49 ARG H H 49 8.750 8.337 0.413 1
1 513 . 16 1 1 A 49 49 ARG HA H 49 3.899 4.030 -0.131 1
1 520 . 16 1 1 A 49 49 ARG C C 49 178.012 178.512 -0.500 1
1 521 . 16 1 1 A 49 49 ARG CA C 49 59.079 58.781 0.298 1
1 522 . 16 1 1 A 49 49 ARG CB C 49 29.474 30.145 -0.671 1
1 525 . 16 1 1 A 49 49 ARG N N 49 117.541 121.134 -3.593 1
1 526 . 16 1 1 A 50 50 VAL H H 50 6.994 8.093 -1.099 1
1 527 . 16 1 1 A 50 50 VAL HA H 50 3.885 3.751 0.134 1
1 535 . 16 1 1 A 50 50 VAL C C 50 178.400 178.412 -0.012 1
1 536 . 16 1 1 A 50 50 VAL CA C 50 65.099 66.209 -1.110 1
1 537 . 16 1 1 A 50 50 VAL CB C 50 31.909 31.577 0.332 1
1 540 . 16 1 1 A 50 50 VAL N N 50 115.765 120.354 -4.589 1
1 541 . 16 1 1 A 51 51 ILE H H 51 7.358 7.924 -0.566 1
1 542 . 16 1 1 A 51 51 ILE HA H 51 3.814 3.971 -0.157 1
1 552 . 16 1 1 A 51 51 ILE C C 51 177.648 178.734 -1.086 1
1 553 . 16 1 1 A 51 51 ILE CA C 51 65.318 64.249 1.069 1
1 554 . 16 1 1 A 51 51 ILE CB C 51 38.017 36.395 1.622 1
1 558 . 16 1 1 A 51 51 ILE N N 51 122.170 120.236 1.934 1
1 559 . 16 1 1 A 52 52 VAL H H 52 8.401 8.599 -0.198 1
1 560 . 16 1 1 A 52 52 VAL HA H 52 3.290 3.725 -0.435 1
1 568 . 16 1 1 A 52 52 VAL C C 52 179.177 177.926 1.251 1
1 569 . 16 1 1 A 52 52 VAL CA C 52 67.021 66.730 0.291 1
1 570 . 16 1 1 A 52 52 VAL CB C 52 31.583 31.477 0.106 1
1 573 . 16 1 1 A 52 52 VAL N N 52 121.321 120.838 0.483 1
1 574 . 16 1 1 A 53 53 VAL H H 53 7.691 7.793 -0.102 1
1 575 . 16 1 1 A 53 53 VAL HA H 53 3.711 3.775 -0.064 1
1 583 . 16 1 1 A 53 53 VAL C C 53 177.648 178.304 -0.656 1
1 584 . 16 1 1 A 53 53 VAL CA C 53 66.531 66.278 0.253 1
1 585 . 16 1 1 A 53 53 VAL CB C 53 31.936 31.601 0.335 1
1 588 . 16 1 1 A 53 53 VAL N N 53 119.305 119.159 0.146 1
1 589 . 16 1 1 A 54 54 TRP H H 54 8.127 7.813 0.314 1
1 590 . 16 1 1 A 54 54 TRP HA H 54 4.016 4.269 -0.253 1
1 599 . 16 1 1 A 54 54 TRP C C 54 180.100 178.406 1.694 1
1 600 . 16 1 1 A 54 54 TRP CA C 54 63.534 61.350 2.184 1
1 601 . 16 1 1 A 54 54 TRP CB C 54 28.747 29.562 -0.815 1
1 607 . 16 1 1 A 54 54 TRP N N 54 122.197 121.657 0.540 1
1 609 . 16 1 1 A 55 55 PHE H H 55 8.964 8.678 0.286 1
1 610 . 16 1 1 A 55 55 PHE HA H 55 3.843 4.477 -0.634 1
1 618 . 16 1 1 A 55 55 PHE C C 55 178.158 178.458 -0.300 1
1 619 . 16 1 1 A 55 55 PHE CA C 55 63.309 62.528 0.781 1
1 620 . 16 1 1 A 55 55 PHE CB C 55 39.818 38.930 0.888 1
1 626 . 16 1 1 A 55 55 PHE N N 55 119.663 118.687 0.976 1
1 627 . 16 1 1 A 56 56 GLN H H 56 8.412 8.769 -0.357 1
1 628 . 16 1 1 A 56 56 GLN HA H 56 3.984 3.933 0.051 1
1 635 . 16 1 1 A 56 56 GLN C C 56 179.420 179.147 0.273 1
1 636 . 16 1 1 A 56 56 GLN CA C 56 59.678 59.244 0.434 1
1 637 . 16 1 1 A 56 56 GLN CB C 56 27.981 28.170 -0.189 1
1 639 . 16 1 1 A 56 56 GLN N N 56 118.932 117.641 1.291 1
1 641 . 16 1 1 A 57 57 ASN H H 57 8.358 7.760 0.598 1
1 642 . 16 1 1 A 57 57 ASN HA H 57 4.302 4.452 -0.150 1
1 647 . 16 1 1 A 57 57 ASN C C 57 177.308 177.689 -0.381 1
1 648 . 16 1 1 A 57 57 ASN CA C 57 55.836 56.005 -0.169 1
1 649 . 16 1 1 A 57 57 ASN CB C 57 38.123 38.395 -0.272 1
1 650 . 16 1 1 A 57 57 ASN N N 57 118.552 118.429 0.123 1
1 652 . 16 1 1 A 58 58 ALA H H 58 8.097 7.729 0.368 1
1 653 . 16 1 1 A 58 58 ALA HA H 58 3.280 3.475 -0.195 1
1 657 . 16 1 1 A 58 58 ALA C C 58 180.512 180.003 0.509 1
1 658 . 16 1 1 A 58 58 ALA CA C 58 54.711 54.643 0.068 1
1 659 . 16 1 1 A 58 58 ALA CB C 58 16.685 17.290 -0.605 1
1 660 . 16 1 1 A 58 58 ALA N N 58 125.426 121.691 3.735 1
1 661 . 16 1 1 A 59 59 ARG H H 59 8.104 7.777 0.327 1
1 662 . 16 1 1 A 59 59 ARG HA H 59 4.159 4.308 -0.149 1
1 669 . 16 1 1 A 59 59 ARG C C 59 178.570 179.113 -0.543 1
1 670 . 16 1 1 A 59 59 ARG CA C 59 59.916 59.827 0.089 1
1 671 . 16 1 1 A 59 59 ARG CB C 59 31.344 29.937 1.407 1
1 674 . 16 1 1 A 59 59 ARG N N 59 117.308 117.404 -0.096 1
1 675 . 16 1 1 A 60 60 GLN H H 60 7.532 7.853 -0.321 1
1 676 . 16 1 1 A 60 60 GLN HA H 60 4.118 4.067 0.051 1
1 683 . 16 1 1 A 60 60 GLN C C 60 178.036 178.881 -0.845 1
1 684 . 16 1 1 A 60 60 GLN CA C 60 58.021 58.630 -0.609 1
1 685 . 16 1 1 A 60 60 GLN CB C 60 28.460 28.053 0.407 1
1 687 . 16 1 1 A 60 60 GLN N N 60 118.195 118.706 -0.511 1
1 689 . 16 1 1 A 61 61 LYS H H 61 7.738 8.312 -0.574 1
1 690 . 16 1 1 A 61 61 LYS HA H 61 4.038 3.966 0.072 1
1 699 . 16 1 1 A 61 61 LYS C C 61 177.454 179.226 -1.772 1
1 700 . 16 1 1 A 61 61 LYS CA C 61 57.938 59.272 -1.334 1
1 701 . 16 1 1 A 61 61 LYS CB C 61 32.497 32.118 0.379 1
1 705 . 16 1 1 A 61 61 LYS N N 61 119.476 119.243 0.233 1
1 706 . 16 1 1 A 62 62 ALA H H 62 7.699 8.224 -0.525 1
1 707 . 16 1 1 A 62 62 ALA HA H 62 4.265 4.157 0.108 1
1 711 . 16 1 1 A 62 62 ALA C C 62 177.818 177.981 -0.163 1
1 712 . 16 1 1 A 62 62 ALA CA C 62 52.945 54.919 -1.974 1
1 713 . 16 1 1 A 62 62 ALA CB C 62 18.904 18.744 0.160 1
1 714 . 16 1 1 A 62 62 ALA N N 62 121.322 120.847 0.475 1
1 715 . 16 1 1 A 63 63 ARG H H 63 7.831 7.658 0.173 1
1 716 . 16 1 1 A 63 63 ARG HA H 63 4.237 4.460 -0.223 1
1 722 . 16 1 1 A 63 63 ARG C C 63 176.580 175.838 0.742 1
1 723 . 16 1 1 A 63 63 ARG CA C 63 56.717 56.110 0.607 1
1 724 . 16 1 1 A 63 63 ARG CB C 63 30.124 30.643 -0.519 1
1 727 . 16 1 1 A 63 63 ARG N N 63 118.592 116.019 2.573 1
1 728 . 16 1 1 A 64 64 LYS H H 64 8.213 8.615 -0.402 1
1 729 . 16 1 1 A 64 64 LYS HA H 64 4.365 5.039 -0.674 1
1 738 . 16 1 1 A 64 64 LYS C C 64 176.677 175.635 1.042 1
1 739 . 16 1 1 A 64 64 LYS CA C 64 56.329 54.844 1.485 1
1 740 . 16 1 1 A 64 64 LYS CB C 64 32.906 35.459 -2.553 1
1 744 . 16 1 1 A 64 64 LYS N N 64 121.456 121.571 -0.115 1
1 745 . 16 1 1 A 65 65 SER H H 65 8.289 9.085 -0.796 1
1 746 . 16 1 1 A 65 65 SER HA H 65 4.510 4.574 -0.064 1
1 749 . 16 1 1 A 65 65 SER C C 65 174.492 174.005 0.487 1
1 750 . 16 1 1 A 65 65 SER CA C 65 58.303 59.596 -1.293 1
1 751 . 16 1 1 A 65 65 SER CB C 65 64.052 65.366 -1.314 1
1 752 . 16 1 1 A 65 65 SER N N 65 116.719 114.892 1.827 1
1 753 . 16 1 1 A 66 66 GLY H H 66 8.242 7.695 0.547 1
1 754 . 16 1 1 A 66 66 GLY HA2 H 66 4.120 4.060 0.060 1
1 755 . 16 1 1 A 66 66 GLY HA3 H 66 4.148 4.061 0.087 1
1 756 . 16 1 1 A 66 66 GLY C C 66 171.798 171.811 -0.013 1
1 757 . 16 1 1 A 66 66 GLY CA C 66 44.687 45.351 -0.664 1
1 758 . 16 1 1 A 66 66 GLY N N 66 110.632 106.339 4.293 1
1 759 . 16 1 1 A 67 67 PRO HA H 67 4.458 4.746 -0.288 1
1 766 . 16 1 1 A 67 67 PRO C C 67 177.429 175.877 1.552 1
1 767 . 16 1 1 A 67 67 PRO CA C 67 63.309 62.629 0.680 1
1 768 . 16 1 1 A 67 67 PRO CB C 67 32.200 31.402 0.798 1
1 771 . 16 1 1 A 68 68 SER H H 68 8.535 8.761 -0.226 1
1 772 . 16 1 1 A 68 68 SER HA H 68 4.482 4.901 -0.419 1
1 775 . 16 1 1 A 68 68 SER C C 68 174.638 173.604 1.034 1
1 776 . 16 1 1 A 68 68 SER CA C 68 58.444 57.875 0.569 1
1 777 . 16 1 1 A 68 68 SER CB C 68 63.838 65.179 -1.341 1
1 778 . 16 1 1 A 68 68 SER N N 68 116.359 120.363 -4.004 1
1 779 . 16 1 1 A 69 69 SER H H 69 8.300 8.740 -0.440 1
1 780 . 16 1 1 A 69 69 SER HA H 69 4.477 4.650 -0.173 1
1 783 . 16 1 1 A 69 69 SER C C 69 173.934 174.549 -0.615 1
1 784 . 16 1 1 A 69 69 SER CA C 69 58.374 59.137 -0.763 1
1 785 . 16 1 1 A 69 69 SER CB C 69 64.134 63.840 0.294 1
1 786 . 16 1 1 A 69 69 SER N N 69 117.715 121.656 -3.941 1
1 1 . 17 1 1 A 10 10 SER HA H 10 4.461 5.070 -0.609 1
1 4 . 17 1 1 A 10 10 SER C C 10 174.492 174.558 -0.066 1
1 5 . 17 1 1 A 10 10 SER CA C 10 58.479 57.103 1.376 1
1 6 . 17 1 1 A 10 10 SER CB C 10 63.932 63.593 0.339 1
1 7 . 17 1 1 A 11 11 ARG H H 11 8.318 8.629 -0.311 1
1 8 . 17 1 1 A 11 11 ARG HA H 11 4.391 4.103 0.288 1
1 15 . 17 1 1 A 11 11 ARG C C 11 176.264 176.145 0.119 1
1 16 . 17 1 1 A 11 11 ARG CA C 11 56.118 58.640 -2.522 1
1 17 . 17 1 1 A 11 11 ARG CB C 11 30.849 30.695 0.154 1
1 20 . 17 1 1 A 11 11 ARG N N 11 122.795 125.173 -2.378 1
1 21 . 17 1 1 A 12 12 THR H H 12 8.159 7.999 0.160 1
1 22 . 17 1 1 A 12 12 THR HA H 12 4.150 4.215 -0.065 1
1 27 . 17 1 1 A 12 12 THR C C 12 173.740 173.384 0.356 1
1 28 . 17 1 1 A 12 12 THR CA C 12 62.463 61.960 0.503 1
1 29 . 17 1 1 A 12 12 THR CB C 12 69.770 68.178 1.592 1
1 31 . 17 1 1 A 12 12 THR N N 12 117.261 113.993 3.268 1
1 32 . 17 1 1 A 13 13 ARG H H 13 8.319 8.359 -0.040 1
1 33 . 17 1 1 A 13 13 ARG HA H 13 4.332 4.657 -0.325 1
1 40 . 17 1 1 A 13 13 ARG C C 13 175.560 175.668 -0.108 1
1 41 . 17 1 1 A 13 13 ARG CA C 13 55.518 55.318 0.200 1
1 42 . 17 1 1 A 13 13 ARG CB C 13 30.763 31.737 -0.974 1
1 45 . 17 1 1 A 13 13 ARG N N 13 125.163 126.260 -1.097 1
1 46 . 17 1 1 A 14 14 PHE H H 14 8.195 9.033 -0.838 1
1 47 . 17 1 1 A 14 14 PHE HA H 14 4.952 4.928 0.024 1
1 55 . 17 1 1 A 14 14 PHE C C 14 176.993 174.374 2.619 1
1 56 . 17 1 1 A 14 14 PHE CA C 14 56.859 57.202 -0.343 1
1 57 . 17 1 1 A 14 14 PHE CB C 14 41.107 41.442 -0.335 1
1 63 . 17 1 1 A 14 14 PHE N N 14 121.558 120.512 1.046 1
1 64 . 17 1 1 A 15 15 THR H H 15 8.999 8.418 0.581 1
1 65 . 17 1 1 A 15 15 THR HA H 15 4.491 4.897 -0.406 1
1 70 . 17 1 1 A 15 15 THR C C 15 174.856 175.336 -0.480 1
1 71 . 17 1 1 A 15 15 THR CA C 15 60.559 59.612 0.947 1
1 72 . 17 1 1 A 15 15 THR CB C 15 70.890 70.939 -0.049 1
1 74 . 17 1 1 A 15 15 THR N N 15 113.369 114.441 -1.072 1
1 75 . 17 1 1 A 16 16 ASP H H 16 8.906 9.281 -0.375 1
1 76 . 17 1 1 A 16 16 ASP HA H 16 4.333 4.267 0.066 1
1 79 . 17 1 1 A 16 16 ASP C C 16 178.764 177.905 0.859 1
1 80 . 17 1 1 A 16 16 ASP CA C 16 57.911 58.219 -0.308 1
1 81 . 17 1 1 A 16 16 ASP CB C 16 39.994 40.460 -0.466 1
1 82 . 17 1 1 A 16 16 ASP N N 16 120.884 127.447 -6.563 1
1 83 . 17 1 1 A 17 17 TYR H H 17 8.356 8.261 0.095 1
1 84 . 17 1 1 A 17 17 TYR HA H 17 4.211 4.078 0.133 1
1 91 . 17 1 1 A 17 17 TYR C C 17 176.264 177.970 -1.706 1
1 92 . 17 1 1 A 17 17 TYR CA C 17 61.045 61.968 -0.923 1
1 93 . 17 1 1 A 17 17 TYR CB C 17 38.666 38.935 -0.269 1
1 98 . 17 1 1 A 17 17 TYR N N 17 119.909 121.780 -1.871 1
1 99 . 17 1 1 A 18 18 GLN H H 18 7.582 8.417 -0.835 1
1 100 . 17 1 1 A 18 18 GLN HA H 18 3.482 3.639 -0.157 1
1 107 . 17 1 1 A 18 18 GLN C C 18 177.502 178.423 -0.921 1
1 108 . 17 1 1 A 18 18 GLN CA C 18 58.726 58.546 0.180 1
1 109 . 17 1 1 A 18 18 GLN CB C 18 27.717 28.348 -0.631 1
1 111 . 17 1 1 A 18 18 GLN N N 18 116.647 118.650 -2.003 1
1 113 . 17 1 1 A 19 19 LEU H H 19 8.170 8.566 -0.396 1
1 114 . 17 1 1 A 19 19 LEU HA H 19 3.508 3.640 -0.132 1
1 124 . 17 1 1 A 19 19 LEU C C 19 178.546 179.266 -0.720 1
1 125 . 17 1 1 A 19 19 LEU CA C 19 57.625 57.760 -0.135 1
1 126 . 17 1 1 A 19 19 LEU CB C 19 41.812 41.251 0.561 1
1 130 . 17 1 1 A 19 19 LEU N N 19 115.406 119.852 -4.446 1
1 131 . 17 1 1 A 20 20 ARG H H 20 7.792 8.179 -0.387 1
1 132 . 17 1 1 A 20 20 ARG HA H 20 3.917 3.936 -0.019 1
1 138 . 17 1 1 A 20 20 ARG C C 20 178.036 178.829 -0.793 1
1 139 . 17 1 1 A 20 20 ARG CA C 20 59.026 59.133 -0.107 1
1 140 . 17 1 1 A 20 20 ARG CB C 20 29.861 29.899 -0.038 1
1 143 . 17 1 1 A 20 20 ARG N N 20 120.360 120.321 0.039 1
1 144 . 17 1 1 A 21 21 VAL H H 21 7.601 7.776 -0.175 1
1 145 . 17 1 1 A 21 21 VAL HA H 21 3.533 3.596 -0.063 1
1 153 . 17 1 1 A 21 21 VAL C C 21 179.541 178.148 1.393 1
1 154 . 17 1 1 A 21 21 VAL CA C 21 66.327 66.232 0.095 1
1 155 . 17 1 1 A 21 21 VAL CB C 21 31.509 31.453 0.056 1
1 158 . 17 1 1 A 21 21 VAL N N 21 119.151 118.955 0.196 1
1 159 . 17 1 1 A 22 22 LEU H H 22 7.898 8.232 -0.334 1
1 160 . 17 1 1 A 22 22 LEU HA H 22 3.513 3.780 -0.267 1
1 170 . 17 1 1 A 22 22 LEU C C 22 177.527 179.156 -1.629 1
1 171 . 17 1 1 A 22 22 LEU CA C 22 58.181 58.090 0.091 1
1 172 . 17 1 1 A 22 22 LEU CB C 22 38.573 40.657 -2.084 1
1 176 . 17 1 1 A 22 22 LEU N N 22 119.825 120.082 -0.257 1
1 177 . 17 1 1 A 23 23 GLN H H 23 8.171 8.246 -0.075 1
1 178 . 17 1 1 A 23 23 GLN HA H 23 3.925 3.947 -0.022 1
1 185 . 17 1 1 A 23 23 GLN C C 23 178.061 177.755 0.306 1
1 186 . 17 1 1 A 23 23 GLN CA C 23 58.832 58.983 -0.151 1
1 187 . 17 1 1 A 23 23 GLN CB C 23 28.769 28.663 0.106 1
1 189 . 17 1 1 A 23 23 GLN N N 23 118.186 118.147 0.039 1
1 191 . 17 1 1 A 24 24 ASP H H 24 8.446 8.110 0.336 1
1 192 . 17 1 1 A 24 24 ASP HA H 24 4.373 4.414 -0.041 1
1 195 . 17 1 1 A 24 24 ASP C C 24 179.347 178.528 0.819 1
1 196 . 17 1 1 A 24 24 ASP CA C 24 57.294 57.252 0.042 1
1 197 . 17 1 1 A 24 24 ASP CB C 24 40.035 41.204 -1.169 1
1 198 . 17 1 1 A 24 24 ASP N N 24 118.634 119.616 -0.982 1
1 199 . 17 1 1 A 25 25 PHE H H 25 8.224 8.311 -0.087 1
1 200 . 17 1 1 A 25 25 PHE HA H 25 4.062 4.299 -0.237 1
1 208 . 17 1 1 A 25 25 PHE C C 25 177.891 177.523 0.368 1
1 209 . 17 1 1 A 25 25 PHE CA C 25 61.546 60.901 0.645 1
1 210 . 17 1 1 A 25 25 PHE CB C 25 39.246 39.064 0.182 1
1 216 . 17 1 1 A 25 25 PHE N N 25 121.633 119.841 1.792 1
1 217 . 17 1 1 A 26 26 PHE H H 26 9.167 8.187 0.980 1
1 218 . 17 1 1 A 26 26 PHE HA H 26 4.302 4.639 -0.337 1
1 226 . 17 1 1 A 26 26 PHE C C 26 176.531 176.976 -0.445 1
1 227 . 17 1 1 A 26 26 PHE CA C 26 61.476 61.456 0.020 1
1 228 . 17 1 1 A 26 26 PHE CB C 26 39.471 38.895 0.576 1
1 234 . 17 1 1 A 26 26 PHE N N 26 121.265 120.064 1.201 1
1 235 . 17 1 1 A 27 27 ASP H H 27 8.654 8.532 0.122 1
1 236 . 17 1 1 A 27 27 ASP HA H 27 4.238 4.484 -0.246 1
1 239 . 17 1 1 A 27 27 ASP C C 27 177.429 177.538 -0.109 1
1 240 . 17 1 1 A 27 27 ASP CA C 27 56.717 57.587 -0.870 1
1 241 . 17 1 1 A 27 27 ASP CB C 27 40.406 42.030 -1.624 1
1 242 . 17 1 1 A 27 27 ASP N N 27 116.555 119.463 -2.908 1
1 243 . 17 1 1 A 28 28 ALA H H 28 7.262 7.679 -0.417 1
1 244 . 17 1 1 A 28 28 ALA HA H 28 4.316 4.297 0.019 1
1 248 . 17 1 1 A 28 28 ALA C C 28 177.891 177.512 0.379 1
1 249 . 17 1 1 A 28 28 ALA CA C 28 52.839 53.425 -0.586 1
1 250 . 17 1 1 A 28 28 ALA CB C 28 19.698 19.590 0.108 1
1 251 . 17 1 1 A 28 28 ALA N N 28 120.441 119.115 1.326 1
1 252 . 17 1 1 A 29 29 ASN H H 29 8.346 8.389 -0.043 1
1 253 . 17 1 1 A 29 29 ASN HA H 29 4.432 5.045 -0.613 1
1 258 . 17 1 1 A 29 29 ASN C C 29 172.259 174.450 -2.191 1
1 259 . 17 1 1 A 29 29 ASN CA C 29 52.943 52.689 0.254 1
1 260 . 17 1 1 A 29 29 ASN CB C 29 38.435 41.443 -3.008 1
1 261 . 17 1 1 A 29 29 ASN N N 29 118.701 114.962 3.739 1
1 263 . 17 1 1 A 30 30 ALA H H 30 8.177 8.617 -0.440 1
1 264 . 17 1 1 A 30 30 ALA HA H 30 4.010 4.712 -0.702 1
1 268 . 17 1 1 A 30 30 ALA C C 30 176.798 176.711 0.087 1
1 269 . 17 1 1 A 30 30 ALA CA C 30 52.980 50.974 2.006 1
1 270 . 17 1 1 A 30 30 ALA CB C 30 19.233 19.408 -0.175 1
1 271 . 17 1 1 A 30 30 ALA N N 30 124.112 127.909 -3.797 1
1 272 . 17 1 1 A 31 31 TYR H H 31 7.984 7.803 0.181 1
1 273 . 17 1 1 A 31 31 TYR HA H 31 4.672 5.152 -0.480 1
1 280 . 17 1 1 A 31 31 TYR C C 31 172.283 173.138 -0.855 1
1 281 . 17 1 1 A 31 31 TYR CA C 31 55.483 55.530 -0.047 1
1 282 . 17 1 1 A 31 31 TYR CB C 31 39.058 38.325 0.733 1
1 287 . 17 1 1 A 31 31 TYR N N 31 115.568 117.723 -2.155 1
1 288 . 17 1 1 A 32 32 PRO HA H 32 4.249 4.636 -0.387 1
1 295 . 17 1 1 A 32 32 PRO C C 32 176.871 176.717 0.154 1
1 296 . 17 1 1 A 32 32 PRO CA C 32 62.710 62.963 -0.253 1
1 297 . 17 1 1 A 32 32 PRO CB C 32 29.959 32.464 -2.505 1
1 300 . 17 1 1 A 33 33 LYS H H 33 9.168 8.763 0.405 1
1 301 . 17 1 1 A 33 33 LYS HA H 33 4.426 4.801 -0.375 1
1 310 . 17 1 1 A 33 33 LYS C C 33 178.061 178.086 -0.025 1
1 311 . 17 1 1 A 33 33 LYS CA C 33 55.236 55.125 0.111 1
1 312 . 17 1 1 A 33 33 LYS CB C 33 33.980 33.869 0.111 1
1 316 . 17 1 1 A 33 33 LYS N N 33 121.451 121.514 -0.063 1
1 317 . 17 1 1 A 34 34 ASP H H 34 9.017 8.868 0.149 1
1 318 . 17 1 1 A 34 34 ASP HA H 34 4.566 4.300 0.266 1
1 321 . 17 1 1 A 34 34 ASP C C 34 179.007 178.006 1.001 1
1 322 . 17 1 1 A 34 34 ASP CA C 34 58.973 57.936 1.037 1
1 323 . 17 1 1 A 34 34 ASP CB C 34 39.834 40.355 -0.521 1
1 324 . 17 1 1 A 34 34 ASP N N 34 122.268 121.891 0.377 1
1 325 . 17 1 1 A 35 35 ASP H H 35 8.955 8.297 0.658 1
1 326 . 17 1 1 A 35 35 ASP HA H 35 4.408 4.334 0.074 1
1 329 . 17 1 1 A 35 35 ASP C C 35 178.837 178.698 0.139 1
1 330 . 17 1 1 A 35 35 ASP CA C 35 56.611 57.974 -1.363 1
1 331 . 17 1 1 A 35 35 ASP CB C 35 39.609 41.307 -1.698 1
1 332 . 17 1 1 A 35 35 ASP N N 35 116.861 119.366 -2.505 1
1 333 . 17 1 1 A 36 36 GLU H H 36 7.208 8.068 -0.860 1
1 334 . 17 1 1 A 36 36 GLU HA H 36 4.051 4.017 0.034 1
1 339 . 17 1 1 A 36 36 GLU C C 36 179.226 179.123 0.103 1
1 340 . 17 1 1 A 36 36 GLU CA C 36 58.761 59.107 -0.346 1
1 341 . 17 1 1 A 36 36 GLU CB C 36 29.689 29.299 0.390 1
1 343 . 17 1 1 A 36 36 GLU N N 36 121.585 118.742 2.843 1
1 344 . 17 1 1 A 37 37 PHE H H 37 7.997 8.488 -0.491 1
1 345 . 17 1 1 A 37 37 PHE HA H 37 4.164 3.994 0.170 1
1 353 . 17 1 1 A 37 37 PHE C C 37 178.400 178.131 0.269 1
1 354 . 17 1 1 A 37 37 PHE CA C 37 61.915 61.288 0.627 1
1 355 . 17 1 1 A 37 37 PHE CB C 37 38.320 38.205 0.115 1
1 361 . 17 1 1 A 37 37 PHE N N 37 118.258 119.125 -0.867 1
1 362 . 17 1 1 A 38 38 GLU H H 38 7.806 8.388 -0.582 1
1 363 . 17 1 1 A 38 38 GLU HA H 38 4.027 4.216 -0.189 1
1 368 . 17 1 1 A 38 38 GLU C C 38 178.764 178.914 -0.150 1
1 369 . 17 1 1 A 38 38 GLU CA C 38 59.325 60.025 -0.700 1
1 370 . 17 1 1 A 38 38 GLU CB C 38 29.083 29.147 -0.064 1
1 372 . 17 1 1 A 38 38 GLU N N 38 118.433 119.250 -0.817 1
1 373 . 17 1 1 A 39 39 GLN H H 39 7.845 8.021 -0.176 1
1 374 . 17 1 1 A 39 39 GLN HA H 39 4.149 3.968 0.181 1
1 381 . 17 1 1 A 39 39 GLN C C 39 179.541 178.809 0.732 1
1 382 . 17 1 1 A 39 39 GLN CA C 39 59.184 58.949 0.235 1
1 383 . 17 1 1 A 39 39 GLN CB C 39 28.097 28.116 -0.019 1
1 385 . 17 1 1 A 39 39 GLN N N 39 119.859 119.446 0.413 1
1 387 . 17 1 1 A 40 40 LEU H H 40 8.130 7.567 0.563 1
1 388 . 17 1 1 A 40 40 LEU HA H 40 3.938 3.889 0.049 1
1 398 . 17 1 1 A 40 40 LEU C C 40 178.158 178.902 -0.744 1
1 399 . 17 1 1 A 40 40 LEU CA C 40 58.092 57.682 0.410 1
1 400 . 17 1 1 A 40 40 LEU CB C 40 43.194 41.183 2.011 1
1 404 . 17 1 1 A 40 40 LEU N N 40 120.785 120.107 0.678 1
1 405 . 17 1 1 A 41 41 SER H H 41 8.241 8.201 0.040 1
1 406 . 17 1 1 A 41 41 SER HA H 41 4.251 4.146 0.105 1
1 409 . 17 1 1 A 41 41 SER C C 41 177.891 177.511 0.380 1
1 410 . 17 1 1 A 41 41 SER CA C 41 61.194 61.576 -0.382 1
1 411 . 17 1 1 A 41 41 SER CB C 41 63.501 62.256 1.245 1
1 412 . 17 1 1 A 41 41 SER N N 41 114.804 112.792 2.012 1
1 413 . 17 1 1 A 42 42 ASN H H 42 7.969 8.542 -0.573 1
1 414 . 17 1 1 A 42 42 ASN HA H 42 4.515 4.551 -0.036 1
1 419 . 17 1 1 A 42 42 ASN C C 42 177.381 178.047 -0.666 1
1 420 . 17 1 1 A 42 42 ASN CA C 42 55.871 56.350 -0.479 1
1 421 . 17 1 1 A 42 42 ASN CB C 42 38.920 37.892 1.028 1
1 422 . 17 1 1 A 42 42 ASN N N 42 118.051 120.968 -2.917 1
1 424 . 17 1 1 A 43 43 LEU H H 43 8.169 7.809 0.360 1
1 425 . 17 1 1 A 43 43 LEU HA H 43 4.189 4.149 0.040 1
1 435 . 17 1 1 A 43 43 LEU C C 43 178.837 178.844 -0.007 1
1 436 . 17 1 1 A 43 43 LEU CA C 43 57.845 57.984 -0.139 1
1 437 . 17 1 1 A 43 43 LEU CB C 43 43.382 41.954 1.428 1
1 441 . 17 1 1 A 43 43 LEU N N 43 120.419 121.038 -0.619 1
1 442 . 17 1 1 A 44 44 LEU H H 44 8.185 8.076 0.109 1
1 443 . 17 1 1 A 44 44 LEU HA H 44 4.445 4.181 0.264 1
1 453 . 17 1 1 A 44 44 LEU C C 44 176.677 175.978 0.699 1
1 454 . 17 1 1 A 44 44 LEU CA C 44 54.397 54.901 -0.504 1
1 455 . 17 1 1 A 44 44 LEU CB C 44 43.111 42.065 1.046 1
1 459 . 17 1 1 A 44 44 LEU N N 44 113.030 118.195 -5.165 1
1 460 . 17 1 1 A 45 45 ASN H H 45 8.100 8.138 -0.038 1
1 461 . 17 1 1 A 45 45 ASN HA H 45 4.440 4.553 -0.113 1
1 466 . 17 1 1 A 45 45 ASN C C 45 174.395 173.756 0.639 1
1 467 . 17 1 1 A 45 45 ASN CA C 45 54.073 54.525 -0.452 1
1 468 . 17 1 1 A 45 45 ASN CB C 45 36.970 36.745 0.225 1
1 469 . 17 1 1 A 45 45 ASN N N 45 117.438 115.530 1.908 1
1 471 . 17 1 1 A 46 46 LEU H H 46 7.476 7.467 0.009 1
1 472 . 17 1 1 A 46 46 LEU HA H 46 4.980 4.842 0.138 1
1 482 . 17 1 1 A 46 46 LEU C C 46 173.691 174.585 -0.894 1
1 483 . 17 1 1 A 46 46 LEU CA C 46 51.032 51.634 -0.602 1
1 484 . 17 1 1 A 46 46 LEU CB C 46 46.668 44.052 2.616 1
1 488 . 17 1 1 A 46 46 LEU N N 46 117.604 119.288 -1.684 1
1 489 . 17 1 1 A 47 47 PRO HA H 47 4.515 4.697 -0.182 1
1 496 . 17 1 1 A 47 47 PRO C C 47 177.915 177.625 0.290 1
1 497 . 17 1 1 A 47 47 PRO CA C 47 62.392 62.947 -0.555 1
1 498 . 17 1 1 A 47 47 PRO CB C 47 32.592 31.880 0.712 1
1 501 . 17 1 1 A 48 48 THR H H 48 8.818 8.672 0.146 1
1 502 . 17 1 1 A 48 48 THR HA H 48 3.590 3.991 -0.401 1
1 507 . 17 1 1 A 48 48 THR C C 48 176.628 175.907 0.721 1
1 508 . 17 1 1 A 48 48 THR CA C 48 67.384 65.388 1.996 1
1 509 . 17 1 1 A 48 48 THR CB C 48 67.996 68.400 -0.404 1
1 511 . 17 1 1 A 48 48 THR N N 48 120.240 118.402 1.838 1
1 512 . 17 1 1 A 49 49 ARG H H 49 8.750 8.361 0.389 1
1 513 . 17 1 1 A 49 49 ARG HA H 49 3.899 4.064 -0.165 1
1 520 . 17 1 1 A 49 49 ARG C C 49 178.012 178.304 -0.292 1
1 521 . 17 1 1 A 49 49 ARG CA C 49 59.079 58.724 0.355 1
1 522 . 17 1 1 A 49 49 ARG CB C 49 29.474 30.143 -0.669 1
1 525 . 17 1 1 A 49 49 ARG N N 49 117.541 121.046 -3.505 1
1 526 . 17 1 1 A 50 50 VAL H H 50 6.994 8.078 -1.084 1
1 527 . 17 1 1 A 50 50 VAL HA H 50 3.885 3.771 0.114 1
1 535 . 17 1 1 A 50 50 VAL C C 50 178.400 178.544 -0.144 1
1 536 . 17 1 1 A 50 50 VAL CA C 50 65.099 66.131 -1.032 1
1 537 . 17 1 1 A 50 50 VAL CB C 50 31.909 31.625 0.284 1
1 540 . 17 1 1 A 50 50 VAL N N 50 115.765 120.273 -4.508 1
1 541 . 17 1 1 A 51 51 ILE H H 51 7.358 7.887 -0.529 1
1 542 . 17 1 1 A 51 51 ILE HA H 51 3.814 3.892 -0.078 1
1 552 . 17 1 1 A 51 51 ILE C C 51 177.648 178.865 -1.217 1
1 553 . 17 1 1 A 51 51 ILE CA C 51 65.318 64.146 1.172 1
1 554 . 17 1 1 A 51 51 ILE CB C 51 38.017 36.206 1.811 1
1 558 . 17 1 1 A 51 51 ILE N N 51 122.170 120.291 1.879 1
1 559 . 17 1 1 A 52 52 VAL H H 52 8.401 8.576 -0.175 1
1 560 . 17 1 1 A 52 52 VAL HA H 52 3.290 3.674 -0.384 1
1 568 . 17 1 1 A 52 52 VAL C C 52 179.177 178.110 1.067 1
1 569 . 17 1 1 A 52 52 VAL CA C 52 67.021 66.931 0.090 1
1 570 . 17 1 1 A 52 52 VAL CB C 52 31.583 31.635 -0.052 1
1 573 . 17 1 1 A 52 52 VAL N N 52 121.321 121.566 -0.245 1
1 574 . 17 1 1 A 53 53 VAL H H 53 7.691 7.674 0.017 1
1 575 . 17 1 1 A 53 53 VAL HA H 53 3.711 3.763 -0.052 1
1 583 . 17 1 1 A 53 53 VAL C C 53 177.648 178.285 -0.637 1
1 584 . 17 1 1 A 53 53 VAL CA C 53 66.531 66.447 0.084 1
1 585 . 17 1 1 A 53 53 VAL CB C 53 31.936 31.600 0.336 1
1 588 . 17 1 1 A 53 53 VAL N N 53 119.305 119.377 -0.072 1
1 589 . 17 1 1 A 54 54 TRP H H 54 8.127 7.888 0.239 1
1 590 . 17 1 1 A 54 54 TRP HA H 54 4.016 4.301 -0.285 1
1 599 . 17 1 1 A 54 54 TRP C C 54 180.100 178.329 1.771 1
1 600 . 17 1 1 A 54 54 TRP CA C 54 63.534 61.384 2.150 1
1 601 . 17 1 1 A 54 54 TRP CB C 54 28.747 29.587 -0.840 1
1 607 . 17 1 1 A 54 54 TRP N N 54 122.197 121.669 0.528 1
1 609 . 17 1 1 A 55 55 PHE H H 55 8.964 8.745 0.219 1
1 610 . 17 1 1 A 55 55 PHE HA H 55 3.843 4.392 -0.549 1
1 618 . 17 1 1 A 55 55 PHE C C 55 178.158 178.408 -0.250 1
1 619 . 17 1 1 A 55 55 PHE CA C 55 63.309 62.650 0.659 1
1 620 . 17 1 1 A 55 55 PHE CB C 55 39.818 38.995 0.823 1
1 626 . 17 1 1 A 55 55 PHE N N 55 119.663 118.615 1.048 1
1 627 . 17 1 1 A 56 56 GLN H H 56 8.412 8.789 -0.377 1
1 628 . 17 1 1 A 56 56 GLN HA H 56 3.984 3.933 0.051 1
1 635 . 17 1 1 A 56 56 GLN C C 56 179.420 179.193 0.227 1
1 636 . 17 1 1 A 56 56 GLN CA C 56 59.678 59.204 0.474 1
1 637 . 17 1 1 A 56 56 GLN CB C 56 27.981 28.236 -0.255 1
1 639 . 17 1 1 A 56 56 GLN N N 56 118.932 117.634 1.298 1
1 641 . 17 1 1 A 57 57 ASN H H 57 8.358 7.867 0.491 1
1 642 . 17 1 1 A 57 57 ASN HA H 57 4.302 4.470 -0.168 1
1 647 . 17 1 1 A 57 57 ASN C C 57 177.308 177.547 -0.239 1
1 648 . 17 1 1 A 57 57 ASN CA C 57 55.836 56.071 -0.235 1
1 649 . 17 1 1 A 57 57 ASN CB C 57 38.123 38.483 -0.360 1
1 650 . 17 1 1 A 57 57 ASN N N 57 118.552 118.407 0.145 1
1 652 . 17 1 1 A 58 58 ALA H H 58 8.097 7.851 0.246 1
1 653 . 17 1 1 A 58 58 ALA HA H 58 3.280 3.493 -0.213 1
1 657 . 17 1 1 A 58 58 ALA C C 58 180.512 179.876 0.636 1
1 658 . 17 1 1 A 58 58 ALA CA C 58 54.711 54.610 0.101 1
1 659 . 17 1 1 A 58 58 ALA CB C 58 16.685 17.519 -0.834 1
1 660 . 17 1 1 A 58 58 ALA N N 58 125.426 122.086 3.340 1
1 661 . 17 1 1 A 59 59 ARG H H 59 8.104 7.493 0.611 1
1 662 . 17 1 1 A 59 59 ARG HA H 59 4.159 4.329 -0.170 1
1 669 . 17 1 1 A 59 59 ARG C C 59 178.570 178.950 -0.380 1
1 670 . 17 1 1 A 59 59 ARG CA C 59 59.916 59.611 0.305 1
1 671 . 17 1 1 A 59 59 ARG CB C 59 31.344 30.143 1.201 1
1 674 . 17 1 1 A 59 59 ARG N N 59 117.308 117.446 -0.138 1
1 675 . 17 1 1 A 60 60 GLN H H 60 7.532 7.773 -0.241 1
1 676 . 17 1 1 A 60 60 GLN HA H 60 4.118 4.029 0.089 1
1 683 . 17 1 1 A 60 60 GLN C C 60 178.036 178.979 -0.943 1
1 684 . 17 1 1 A 60 60 GLN CA C 60 58.021 58.749 -0.728 1
1 685 . 17 1 1 A 60 60 GLN CB C 60 28.460 28.426 0.034 1
1 687 . 17 1 1 A 60 60 GLN N N 60 118.195 118.551 -0.356 1
1 689 . 17 1 1 A 61 61 LYS H H 61 7.738 8.281 -0.543 1
1 690 . 17 1 1 A 61 61 LYS HA H 61 4.038 4.025 0.013 1
1 699 . 17 1 1 A 61 61 LYS C C 61 177.454 178.936 -1.482 1
1 700 . 17 1 1 A 61 61 LYS CA C 61 57.938 59.162 -1.224 1
1 701 . 17 1 1 A 61 61 LYS CB C 61 32.497 31.802 0.695 1
1 705 . 17 1 1 A 61 61 LYS N N 61 119.476 118.830 0.646 1
1 706 . 17 1 1 A 62 62 ALA H H 62 7.699 7.967 -0.268 1
1 707 . 17 1 1 A 62 62 ALA HA H 62 4.265 4.033 0.232 1
1 711 . 17 1 1 A 62 62 ALA C C 62 177.818 180.272 -2.454 1
1 712 . 17 1 1 A 62 62 ALA CA C 62 52.945 55.094 -2.149 1
1 713 . 17 1 1 A 62 62 ALA CB C 62 18.904 18.688 0.216 1
1 714 . 17 1 1 A 62 62 ALA N N 62 121.322 121.767 -0.445 1
1 715 . 17 1 1 A 63 63 ARG H H 63 7.831 7.786 0.045 1
1 716 . 17 1 1 A 63 63 ARG HA H 63 4.237 3.929 0.308 1
1 722 . 17 1 1 A 63 63 ARG C C 63 176.580 176.475 0.105 1
1 723 . 17 1 1 A 63 63 ARG CA C 63 56.717 59.514 -2.797 1
1 724 . 17 1 1 A 63 63 ARG CB C 63 30.124 30.174 -0.050 1
1 727 . 17 1 1 A 63 63 ARG N N 63 118.592 117.956 0.636 1
1 728 . 17 1 1 A 64 64 LYS H H 64 8.213 7.866 0.347 1
1 729 . 17 1 1 A 64 64 LYS HA H 64 4.365 3.839 0.526 1
1 738 . 17 1 1 A 64 64 LYS C C 64 176.677 174.618 2.059 1
1 739 . 17 1 1 A 64 64 LYS CA C 64 56.329 57.167 -0.838 1
1 740 . 17 1 1 A 64 64 LYS CB C 64 32.906 29.334 3.572 1
1 744 . 17 1 1 A 64 64 LYS N N 64 121.456 116.633 4.823 1
1 745 . 17 1 1 A 65 65 SER H H 65 8.289 7.876 0.413 1
1 746 . 17 1 1 A 65 65 SER HA H 65 4.510 5.138 -0.628 1
1 749 . 17 1 1 A 65 65 SER C C 65 174.492 173.264 1.228 1
1 750 . 17 1 1 A 65 65 SER CA C 65 58.303 56.500 1.803 1
1 751 . 17 1 1 A 65 65 SER CB C 65 64.052 64.644 -0.592 1
1 752 . 17 1 1 A 65 65 SER N N 65 116.719 113.640 3.079 1
1 753 . 17 1 1 A 66 66 GLY H H 66 8.242 8.254 -0.012 1
1 754 . 17 1 1 A 66 66 GLY HA2 H 66 4.120 4.179 -0.059 1
1 755 . 17 1 1 A 66 66 GLY HA3 H 66 4.148 4.180 -0.032 1
1 756 . 17 1 1 A 66 66 GLY C C 66 171.798 172.123 -0.325 1
1 757 . 17 1 1 A 66 66 GLY CA C 66 44.687 44.718 -0.031 1
1 758 . 17 1 1 A 66 66 GLY N N 66 110.632 113.605 -2.973 1
1 759 . 17 1 1 A 67 67 PRO HA H 67 4.458 4.719 -0.261 1
1 766 . 17 1 1 A 67 67 PRO C C 67 177.429 176.613 0.816 1
1 767 . 17 1 1 A 67 67 PRO CA C 67 63.309 62.702 0.607 1
1 768 . 17 1 1 A 67 67 PRO CB C 67 32.200 31.497 0.703 1
1 771 . 17 1 1 A 68 68 SER H H 68 8.535 8.495 0.040 1
1 772 . 17 1 1 A 68 68 SER HA H 68 4.482 4.647 -0.165 1
1 775 . 17 1 1 A 68 68 SER C C 68 174.638 172.981 1.657 1
1 776 . 17 1 1 A 68 68 SER CA C 68 58.444 58.706 -0.262 1
1 777 . 17 1 1 A 68 68 SER CB C 68 63.838 63.161 0.677 1
1 778 . 17 1 1 A 68 68 SER N N 68 116.359 120.975 -4.616 1
1 779 . 17 1 1 A 69 69 SER H H 69 8.300 8.974 -0.674 1
1 780 . 17 1 1 A 69 69 SER HA H 69 4.477 4.795 -0.318 1
1 783 . 17 1 1 A 69 69 SER C C 69 173.934 174.213 -0.279 1
1 784 . 17 1 1 A 69 69 SER CA C 69 58.374 57.062 1.312 1
1 785 . 17 1 1 A 69 69 SER CB C 69 64.134 63.877 0.257 1
1 786 . 17 1 1 A 69 69 SER N N 69 117.715 121.438 -3.723 1
1 1 . 18 1 1 A 10 10 SER HA H 10 4.461 4.624 -0.163 1
1 4 . 18 1 1 A 10 10 SER C C 10 174.492 174.816 -0.324 1
1 5 . 18 1 1 A 10 10 SER CA C 10 58.479 56.596 1.883 1
1 6 . 18 1 1 A 10 10 SER CB C 10 63.932 64.184 -0.252 1
1 7 . 18 1 1 A 11 11 ARG H H 11 8.318 8.552 -0.234 1
1 8 . 18 1 1 A 11 11 ARG HA H 11 4.391 3.929 0.462 1
1 15 . 18 1 1 A 11 11 ARG C C 11 176.264 175.958 0.306 1
1 16 . 18 1 1 A 11 11 ARG CA C 11 56.118 59.662 -3.544 1
1 17 . 18 1 1 A 11 11 ARG CB C 11 30.849 29.905 0.944 1
1 20 . 18 1 1 A 11 11 ARG N N 11 122.795 125.339 -2.544 1
1 21 . 18 1 1 A 12 12 THR H H 12 8.159 7.821 0.338 1
1 22 . 18 1 1 A 12 12 THR HA H 12 4.150 3.714 0.436 1
1 27 . 18 1 1 A 12 12 THR C C 12 173.740 173.326 0.414 1
1 28 . 18 1 1 A 12 12 THR CA C 12 62.463 62.659 -0.196 1
1 29 . 18 1 1 A 12 12 THR CB C 12 69.770 66.224 3.546 1
1 31 . 18 1 1 A 12 12 THR N N 12 117.261 112.910 4.351 1
1 32 . 18 1 1 A 13 13 ARG H H 13 8.319 7.644 0.675 1
1 33 . 18 1 1 A 13 13 ARG HA H 13 4.332 4.138 0.194 1
1 40 . 18 1 1 A 13 13 ARG C C 13 175.560 175.786 -0.226 1
1 41 . 18 1 1 A 13 13 ARG CA C 13 55.518 56.508 -0.990 1
1 42 . 18 1 1 A 13 13 ARG CB C 13 30.763 31.017 -0.254 1
1 45 . 18 1 1 A 13 13 ARG N N 13 125.163 121.303 3.860 1
1 46 . 18 1 1 A 14 14 PHE H H 14 8.195 9.008 -0.813 1
1 47 . 18 1 1 A 14 14 PHE HA H 14 4.952 4.910 0.042 1
1 55 . 18 1 1 A 14 14 PHE C C 14 176.993 174.643 2.350 1
1 56 . 18 1 1 A 14 14 PHE CA C 14 56.859 57.349 -0.490 1
1 57 . 18 1 1 A 14 14 PHE CB C 14 41.107 41.299 -0.192 1
1 63 . 18 1 1 A 14 14 PHE N N 14 121.558 125.506 -3.948 1
1 64 . 18 1 1 A 15 15 THR H H 15 8.999 8.449 0.550 1
1 65 . 18 1 1 A 15 15 THR HA H 15 4.491 4.861 -0.370 1
1 70 . 18 1 1 A 15 15 THR C C 15 174.856 175.265 -0.409 1
1 71 . 18 1 1 A 15 15 THR CA C 15 60.559 59.746 0.813 1
1 72 . 18 1 1 A 15 15 THR CB C 15 70.890 70.930 -0.040 1
1 74 . 18 1 1 A 15 15 THR N N 15 113.369 115.360 -1.991 1
1 75 . 18 1 1 A 16 16 ASP H H 16 8.906 9.222 -0.316 1
1 76 . 18 1 1 A 16 16 ASP HA H 16 4.333 4.276 0.057 1
1 79 . 18 1 1 A 16 16 ASP C C 16 178.764 177.954 0.810 1
1 80 . 18 1 1 A 16 16 ASP CA C 16 57.911 58.221 -0.310 1
1 81 . 18 1 1 A 16 16 ASP CB C 16 39.994 40.467 -0.473 1
1 82 . 18 1 1 A 16 16 ASP N N 16 120.884 127.302 -6.418 1
1 83 . 18 1 1 A 17 17 TYR H H 17 8.356 8.236 0.120 1
1 84 . 18 1 1 A 17 17 TYR HA H 17 4.211 4.088 0.123 1
1 91 . 18 1 1 A 17 17 TYR C C 17 176.264 177.977 -1.713 1
1 92 . 18 1 1 A 17 17 TYR CA C 17 61.045 61.943 -0.898 1
1 93 . 18 1 1 A 17 17 TYR CB C 17 38.666 38.860 -0.194 1
1 98 . 18 1 1 A 17 17 TYR N N 17 119.909 121.932 -2.023 1
1 99 . 18 1 1 A 18 18 GLN H H 18 7.582 8.380 -0.798 1
1 100 . 18 1 1 A 18 18 GLN HA H 18 3.482 3.690 -0.208 1
1 107 . 18 1 1 A 18 18 GLN C C 18 177.502 178.470 -0.968 1
1 108 . 18 1 1 A 18 18 GLN CA C 18 58.726 58.581 0.145 1
1 109 . 18 1 1 A 18 18 GLN CB C 18 27.717 28.322 -0.605 1
1 111 . 18 1 1 A 18 18 GLN N N 18 116.647 118.665 -2.018 1
1 113 . 18 1 1 A 19 19 LEU H H 19 8.170 8.793 -0.623 1
1 114 . 18 1 1 A 19 19 LEU HA H 19 3.508 3.662 -0.154 1
1 124 . 18 1 1 A 19 19 LEU C C 19 178.546 179.329 -0.783 1
1 125 . 18 1 1 A 19 19 LEU CA C 19 57.625 57.726 -0.101 1
1 126 . 18 1 1 A 19 19 LEU CB C 19 41.812 40.955 0.857 1
1 130 . 18 1 1 A 19 19 LEU N N 19 115.406 119.558 -4.152 1
1 131 . 18 1 1 A 20 20 ARG H H 20 7.792 8.295 -0.503 1
1 132 . 18 1 1 A 20 20 ARG HA H 20 3.917 3.955 -0.038 1
1 138 . 18 1 1 A 20 20 ARG C C 20 178.036 178.751 -0.715 1
1 139 . 18 1 1 A 20 20 ARG CA C 20 59.026 59.209 -0.183 1
1 140 . 18 1 1 A 20 20 ARG CB C 20 29.861 29.854 0.007 1
1 143 . 18 1 1 A 20 20 ARG N N 20 120.360 120.410 -0.050 1
1 144 . 18 1 1 A 21 21 VAL H H 21 7.601 7.228 0.373 1
1 145 . 18 1 1 A 21 21 VAL HA H 21 3.533 3.583 -0.050 1
1 153 . 18 1 1 A 21 21 VAL C C 21 179.541 177.968 1.573 1
1 154 . 18 1 1 A 21 21 VAL CA C 21 66.327 66.142 0.185 1
1 155 . 18 1 1 A 21 21 VAL CB C 21 31.509 31.445 0.064 1
1 158 . 18 1 1 A 21 21 VAL N N 21 119.151 118.876 0.275 1
1 159 . 18 1 1 A 22 22 LEU H H 22 7.898 8.227 -0.329 1
1 160 . 18 1 1 A 22 22 LEU HA H 22 3.513 3.816 -0.303 1
1 170 . 18 1 1 A 22 22 LEU C C 22 177.527 179.119 -1.592 1
1 171 . 18 1 1 A 22 22 LEU CA C 22 58.181 58.101 0.080 1
1 172 . 18 1 1 A 22 22 LEU CB C 22 38.573 40.586 -2.013 1
1 176 . 18 1 1 A 22 22 LEU N N 22 119.825 119.802 0.023 1
1 177 . 18 1 1 A 23 23 GLN H H 23 8.171 8.181 -0.010 1
1 178 . 18 1 1 A 23 23 GLN HA H 23 3.925 3.971 -0.046 1
1 185 . 18 1 1 A 23 23 GLN C C 23 178.061 177.632 0.429 1
1 186 . 18 1 1 A 23 23 GLN CA C 23 58.832 58.960 -0.128 1
1 187 . 18 1 1 A 23 23 GLN CB C 23 28.769 28.615 0.154 1
1 189 . 18 1 1 A 23 23 GLN N N 23 118.186 118.132 0.054 1
1 191 . 18 1 1 A 24 24 ASP H H 24 8.446 8.195 0.251 1
1 192 . 18 1 1 A 24 24 ASP HA H 24 4.373 4.408 -0.035 1
1 195 . 18 1 1 A 24 24 ASP C C 24 179.347 178.543 0.804 1
1 196 . 18 1 1 A 24 24 ASP CA C 24 57.294 57.224 0.070 1
1 197 . 18 1 1 A 24 24 ASP CB C 24 40.035 41.482 -1.447 1
1 198 . 18 1 1 A 24 24 ASP N N 24 118.634 119.475 -0.841 1
1 199 . 18 1 1 A 25 25 PHE H H 25 8.224 8.377 -0.153 1
1 200 . 18 1 1 A 25 25 PHE HA H 25 4.062 4.296 -0.234 1
1 208 . 18 1 1 A 25 25 PHE C C 25 177.891 177.617 0.274 1
1 209 . 18 1 1 A 25 25 PHE CA C 25 61.546 60.884 0.662 1
1 210 . 18 1 1 A 25 25 PHE CB C 25 39.246 39.152 0.094 1
1 216 . 18 1 1 A 25 25 PHE N N 25 121.633 120.019 1.614 1
1 217 . 18 1 1 A 26 26 PHE H H 26 9.167 8.131 1.036 1
1 218 . 18 1 1 A 26 26 PHE HA H 26 4.302 4.594 -0.292 1
1 226 . 18 1 1 A 26 26 PHE C C 26 176.531 176.975 -0.444 1
1 227 . 18 1 1 A 26 26 PHE CA C 26 61.476 61.439 0.037 1
1 228 . 18 1 1 A 26 26 PHE CB C 26 39.471 38.817 0.654 1
1 234 . 18 1 1 A 26 26 PHE N N 26 121.265 120.041 1.224 1
1 235 . 18 1 1 A 27 27 ASP H H 27 8.654 8.547 0.107 1
1 236 . 18 1 1 A 27 27 ASP HA H 27 4.238 4.468 -0.230 1
1 239 . 18 1 1 A 27 27 ASP C C 27 177.429 177.352 0.077 1
1 240 . 18 1 1 A 27 27 ASP CA C 27 56.717 57.465 -0.748 1
1 241 . 18 1 1 A 27 27 ASP CB C 27 40.406 42.014 -1.608 1
1 242 . 18 1 1 A 27 27 ASP N N 27 116.555 119.371 -2.816 1
1 243 . 18 1 1 A 28 28 ALA H H 28 7.262 7.709 -0.447 1
1 244 . 18 1 1 A 28 28 ALA HA H 28 4.316 4.303 0.013 1
1 248 . 18 1 1 A 28 28 ALA C C 28 177.891 177.382 0.509 1
1 249 . 18 1 1 A 28 28 ALA CA C 28 52.839 53.517 -0.678 1
1 250 . 18 1 1 A 28 28 ALA CB C 28 19.698 19.947 -0.249 1
1 251 . 18 1 1 A 28 28 ALA N N 28 120.441 119.276 1.165 1
1 252 . 18 1 1 A 29 29 ASN H H 29 8.346 8.372 -0.026 1
1 253 . 18 1 1 A 29 29 ASN HA H 29 4.432 5.035 -0.603 1
1 258 . 18 1 1 A 29 29 ASN C C 29 172.259 174.447 -2.188 1
1 259 . 18 1 1 A 29 29 ASN CA C 29 52.943 52.464 0.479 1
1 260 . 18 1 1 A 29 29 ASN CB C 29 38.435 41.495 -3.060 1
1 261 . 18 1 1 A 29 29 ASN N N 29 118.701 114.846 3.855 1
1 263 . 18 1 1 A 30 30 ALA H H 30 8.177 8.608 -0.431 1
1 264 . 18 1 1 A 30 30 ALA HA H 30 4.010 4.776 -0.766 1
1 268 . 18 1 1 A 30 30 ALA C C 30 176.798 176.728 0.070 1
1 269 . 18 1 1 A 30 30 ALA CA C 30 52.980 50.951 2.029 1
1 270 . 18 1 1 A 30 30 ALA CB C 30 19.233 19.462 -0.229 1
1 271 . 18 1 1 A 30 30 ALA N N 30 124.112 127.736 -3.624 1
1 272 . 18 1 1 A 31 31 TYR H H 31 7.984 7.810 0.174 1
1 273 . 18 1 1 A 31 31 TYR HA H 31 4.672 5.167 -0.495 1
1 280 . 18 1 1 A 31 31 TYR C C 31 172.283 173.147 -0.864 1
1 281 . 18 1 1 A 31 31 TYR CA C 31 55.483 55.539 -0.056 1
1 282 . 18 1 1 A 31 31 TYR CB C 31 39.058 38.335 0.723 1
1 287 . 18 1 1 A 31 31 TYR N N 31 115.568 117.737 -2.169 1
1 288 . 18 1 1 A 32 32 PRO HA H 32 4.249 4.714 -0.465 1
1 295 . 18 1 1 A 32 32 PRO C C 32 176.871 176.548 0.323 1
1 296 . 18 1 1 A 32 32 PRO CA C 32 62.710 62.863 -0.153 1
1 297 . 18 1 1 A 32 32 PRO CB C 32 29.959 32.561 -2.602 1
1 300 . 18 1 1 A 33 33 LYS H H 33 9.168 8.706 0.462 1
1 301 . 18 1 1 A 33 33 LYS HA H 33 4.426 4.804 -0.378 1
1 310 . 18 1 1 A 33 33 LYS C C 33 178.061 178.076 -0.015 1
1 311 . 18 1 1 A 33 33 LYS CA C 33 55.236 55.050 0.186 1
1 312 . 18 1 1 A 33 33 LYS CB C 33 33.980 33.989 -0.009 1
1 316 . 18 1 1 A 33 33 LYS N N 33 121.451 120.987 0.464 1
1 317 . 18 1 1 A 34 34 ASP H H 34 9.017 8.876 0.141 1
1 318 . 18 1 1 A 34 34 ASP HA H 34 4.566 4.300 0.266 1
1 321 . 18 1 1 A 34 34 ASP C C 34 179.007 178.032 0.975 1
1 322 . 18 1 1 A 34 34 ASP CA C 34 58.973 57.919 1.054 1
1 323 . 18 1 1 A 34 34 ASP CB C 34 39.834 40.385 -0.551 1
1 324 . 18 1 1 A 34 34 ASP N N 34 122.268 121.823 0.445 1
1 325 . 18 1 1 A 35 35 ASP H H 35 8.955 8.304 0.651 1
1 326 . 18 1 1 A 35 35 ASP HA H 35 4.408 4.316 0.092 1
1 329 . 18 1 1 A 35 35 ASP C C 35 178.837 178.691 0.146 1
1 330 . 18 1 1 A 35 35 ASP CA C 35 56.611 57.972 -1.361 1
1 331 . 18 1 1 A 35 35 ASP CB C 35 39.609 41.407 -1.798 1
1 332 . 18 1 1 A 35 35 ASP N N 35 116.861 119.217 -2.356 1
1 333 . 18 1 1 A 36 36 GLU H H 36 7.208 8.008 -0.800 1
1 334 . 18 1 1 A 36 36 GLU HA H 36 4.051 4.392 -0.341 1
1 339 . 18 1 1 A 36 36 GLU C C 36 179.226 179.113 0.113 1
1 340 . 18 1 1 A 36 36 GLU CA C 36 58.761 59.122 -0.361 1
1 341 . 18 1 1 A 36 36 GLU CB C 36 29.689 29.296 0.393 1
1 343 . 18 1 1 A 36 36 GLU N N 36 121.585 118.734 2.851 1
1 344 . 18 1 1 A 37 37 PHE H H 37 7.997 8.485 -0.488 1
1 345 . 18 1 1 A 37 37 PHE HA H 37 4.164 3.950 0.214 1
1 353 . 18 1 1 A 37 37 PHE C C 37 178.400 178.108 0.292 1
1 354 . 18 1 1 A 37 37 PHE CA C 37 61.915 61.275 0.640 1
1 355 . 18 1 1 A 37 37 PHE CB C 37 38.320 38.135 0.185 1
1 361 . 18 1 1 A 37 37 PHE N N 37 118.258 119.105 -0.847 1
1 362 . 18 1 1 A 38 38 GLU H H 38 7.806 8.346 -0.540 1
1 363 . 18 1 1 A 38 38 GLU HA H 38 4.027 4.020 0.007 1
1 368 . 18 1 1 A 38 38 GLU C C 38 178.764 179.258 -0.494 1
1 369 . 18 1 1 A 38 38 GLU CA C 38 59.325 59.997 -0.672 1
1 370 . 18 1 1 A 38 38 GLU CB C 38 29.083 29.311 -0.228 1
1 372 . 18 1 1 A 38 38 GLU N N 38 118.433 118.863 -0.430 1
1 373 . 18 1 1 A 39 39 GLN H H 39 7.845 8.138 -0.293 1
1 374 . 18 1 1 A 39 39 GLN HA H 39 4.149 3.877 0.272 1
1 381 . 18 1 1 A 39 39 GLN C C 39 179.541 178.821 0.720 1
1 382 . 18 1 1 A 39 39 GLN CA C 39 59.184 59.194 -0.010 1
1 383 . 18 1 1 A 39 39 GLN CB C 39 28.097 28.135 -0.038 1
1 385 . 18 1 1 A 39 39 GLN N N 39 119.859 118.776 1.083 1
1 387 . 18 1 1 A 40 40 LEU H H 40 8.130 7.511 0.619 1
1 388 . 18 1 1 A 40 40 LEU HA H 40 3.938 4.061 -0.123 1
1 398 . 18 1 1 A 40 40 LEU C C 40 178.158 179.339 -1.181 1
1 399 . 18 1 1 A 40 40 LEU CA C 40 58.092 57.592 0.500 1
1 400 . 18 1 1 A 40 40 LEU CB C 40 43.194 41.181 2.013 1
1 404 . 18 1 1 A 40 40 LEU N N 40 120.785 119.644 1.141 1
1 405 . 18 1 1 A 41 41 SER H H 41 8.241 8.484 -0.243 1
1 406 . 18 1 1 A 41 41 SER HA H 41 4.251 4.187 0.064 1
1 409 . 18 1 1 A 41 41 SER C C 41 177.891 177.051 0.840 1
1 410 . 18 1 1 A 41 41 SER CA C 41 61.194 61.456 -0.262 1
1 411 . 18 1 1 A 41 41 SER CB C 41 63.501 62.526 0.975 1
1 412 . 18 1 1 A 41 41 SER N N 41 114.804 113.890 0.914 1
1 413 . 18 1 1 A 42 42 ASN H H 42 7.969 7.973 -0.004 1
1 414 . 18 1 1 A 42 42 ASN HA H 42 4.515 4.631 -0.116 1
1 419 . 18 1 1 A 42 42 ASN C C 42 177.381 177.789 -0.408 1
1 420 . 18 1 1 A 42 42 ASN CA C 42 55.871 56.127 -0.256 1
1 421 . 18 1 1 A 42 42 ASN CB C 42 38.920 38.727 0.193 1
1 422 . 18 1 1 A 42 42 ASN N N 42 118.051 120.858 -2.807 1
1 424 . 18 1 1 A 43 43 LEU H H 43 8.169 7.586 0.583 1
1 425 . 18 1 1 A 43 43 LEU HA H 43 4.189 4.105 0.084 1
1 435 . 18 1 1 A 43 43 LEU C C 43 178.837 178.736 0.101 1
1 436 . 18 1 1 A 43 43 LEU CA C 43 57.845 58.170 -0.325 1
1 437 . 18 1 1 A 43 43 LEU CB C 43 43.382 42.092 1.290 1
1 441 . 18 1 1 A 43 43 LEU N N 43 120.419 121.468 -1.049 1
1 442 . 18 1 1 A 44 44 LEU H H 44 8.185 7.988 0.197 1
1 443 . 18 1 1 A 44 44 LEU HA H 44 4.445 4.144 0.301 1
1 453 . 18 1 1 A 44 44 LEU C C 44 176.677 176.018 0.659 1
1 454 . 18 1 1 A 44 44 LEU CA C 44 54.397 55.068 -0.671 1
1 455 . 18 1 1 A 44 44 LEU CB C 44 43.111 42.055 1.056 1
1 459 . 18 1 1 A 44 44 LEU N N 44 113.030 118.211 -5.181 1
1 460 . 18 1 1 A 45 45 ASN H H 45 8.100 8.020 0.080 1
1 461 . 18 1 1 A 45 45 ASN HA H 45 4.440 4.426 0.014 1
1 466 . 18 1 1 A 45 45 ASN C C 45 174.395 173.666 0.729 1
1 467 . 18 1 1 A 45 45 ASN CA C 45 54.073 54.510 -0.437 1
1 468 . 18 1 1 A 45 45 ASN CB C 45 36.970 36.742 0.228 1
1 469 . 18 1 1 A 45 45 ASN N N 45 117.438 115.457 1.981 1
1 471 . 18 1 1 A 46 46 LEU H H 46 7.476 7.339 0.137 1
1 472 . 18 1 1 A 46 46 LEU HA H 46 4.980 4.836 0.144 1
1 482 . 18 1 1 A 46 46 LEU C C 46 173.691 174.591 -0.900 1
1 483 . 18 1 1 A 46 46 LEU CA C 46 51.032 51.658 -0.626 1
1 484 . 18 1 1 A 46 46 LEU CB C 46 46.668 44.088 2.580 1
1 488 . 18 1 1 A 46 46 LEU N N 46 117.604 119.299 -1.695 1
1 489 . 18 1 1 A 47 47 PRO HA H 47 4.515 4.681 -0.166 1
1 496 . 18 1 1 A 47 47 PRO C C 47 177.915 177.637 0.278 1
1 497 . 18 1 1 A 47 47 PRO CA C 47 62.392 62.859 -0.467 1
1 498 . 18 1 1 A 47 47 PRO CB C 47 32.592 31.819 0.773 1
1 501 . 18 1 1 A 48 48 THR H H 48 8.818 8.674 0.144 1
1 502 . 18 1 1 A 48 48 THR HA H 48 3.590 3.991 -0.401 1
1 507 . 18 1 1 A 48 48 THR C C 48 176.628 175.961 0.667 1
1 508 . 18 1 1 A 48 48 THR CA C 48 67.384 65.487 1.897 1
1 509 . 18 1 1 A 48 48 THR CB C 48 67.996 68.458 -0.462 1
1 511 . 18 1 1 A 48 48 THR N N 48 120.240 118.677 1.563 1
1 512 . 18 1 1 A 49 49 ARG H H 49 8.750 8.261 0.489 1
1 513 . 18 1 1 A 49 49 ARG HA H 49 3.899 4.061 -0.162 1
1 520 . 18 1 1 A 49 49 ARG C C 49 178.012 178.400 -0.388 1
1 521 . 18 1 1 A 49 49 ARG CA C 49 59.079 58.602 0.477 1
1 522 . 18 1 1 A 49 49 ARG CB C 49 29.474 30.169 -0.695 1
1 525 . 18 1 1 A 49 49 ARG N N 49 117.541 120.977 -3.436 1
1 526 . 18 1 1 A 50 50 VAL H H 50 6.994 8.097 -1.103 1
1 527 . 18 1 1 A 50 50 VAL HA H 50 3.885 3.747 0.138 1
1 535 . 18 1 1 A 50 50 VAL C C 50 178.400 178.616 -0.216 1
1 536 . 18 1 1 A 50 50 VAL CA C 50 65.099 66.295 -1.196 1
1 537 . 18 1 1 A 50 50 VAL CB C 50 31.909 31.673 0.236 1
1 540 . 18 1 1 A 50 50 VAL N N 50 115.765 120.351 -4.586 1
1 541 . 18 1 1 A 51 51 ILE H H 51 7.358 8.052 -0.694 1
1 542 . 18 1 1 A 51 51 ILE HA H 51 3.814 3.845 -0.031 1
1 552 . 18 1 1 A 51 51 ILE C C 51 177.648 179.134 -1.486 1
1 553 . 18 1 1 A 51 51 ILE CA C 51 65.318 64.300 1.018 1
1 554 . 18 1 1 A 51 51 ILE CB C 51 38.017 36.828 1.189 1
1 558 . 18 1 1 A 51 51 ILE N N 51 122.170 120.187 1.983 1
1 559 . 18 1 1 A 52 52 VAL H H 52 8.401 8.589 -0.188 1
1 560 . 18 1 1 A 52 52 VAL HA H 52 3.290 3.626 -0.336 1
1 568 . 18 1 1 A 52 52 VAL C C 52 179.177 178.075 1.102 1
1 569 . 18 1 1 A 52 52 VAL CA C 52 67.021 66.816 0.205 1
1 570 . 18 1 1 A 52 52 VAL CB C 52 31.583 31.648 -0.065 1
1 573 . 18 1 1 A 52 52 VAL N N 52 121.321 122.350 -1.029 1
1 574 . 18 1 1 A 53 53 VAL H H 53 7.691 7.641 0.050 1
1 575 . 18 1 1 A 53 53 VAL HA H 53 3.711 3.768 -0.057 1
1 583 . 18 1 1 A 53 53 VAL C C 53 177.648 178.216 -0.568 1
1 584 . 18 1 1 A 53 53 VAL CA C 53 66.531 66.425 0.106 1
1 585 . 18 1 1 A 53 53 VAL CB C 53 31.936 31.647 0.289 1
1 588 . 18 1 1 A 53 53 VAL N N 53 119.305 119.266 0.039 1
1 589 . 18 1 1 A 54 54 TRP H H 54 8.127 7.964 0.163 1
1 590 . 18 1 1 A 54 54 TRP HA H 54 4.016 4.273 -0.257 1
1 599 . 18 1 1 A 54 54 TRP C C 54 180.100 178.321 1.779 1
1 600 . 18 1 1 A 54 54 TRP CA C 54 63.534 61.402 2.132 1
1 601 . 18 1 1 A 54 54 TRP CB C 54 28.747 29.753 -1.006 1
1 607 . 18 1 1 A 54 54 TRP N N 54 122.197 121.642 0.555 1
1 609 . 18 1 1 A 55 55 PHE H H 55 8.964 8.641 0.323 1
1 610 . 18 1 1 A 55 55 PHE HA H 55 3.843 4.410 -0.567 1
1 618 . 18 1 1 A 55 55 PHE C C 55 178.158 178.437 -0.279 1
1 619 . 18 1 1 A 55 55 PHE CA C 55 63.309 62.693 0.616 1
1 620 . 18 1 1 A 55 55 PHE CB C 55 39.818 38.998 0.820 1
1 626 . 18 1 1 A 55 55 PHE N N 55 119.663 118.641 1.022 1
1 627 . 18 1 1 A 56 56 GLN H H 56 8.412 8.764 -0.352 1
1 628 . 18 1 1 A 56 56 GLN HA H 56 3.984 3.942 0.042 1
1 635 . 18 1 1 A 56 56 GLN C C 56 179.420 179.079 0.341 1
1 636 . 18 1 1 A 56 56 GLN CA C 56 59.678 59.234 0.444 1
1 637 . 18 1 1 A 56 56 GLN CB C 56 27.981 28.250 -0.269 1
1 639 . 18 1 1 A 56 56 GLN N N 56 118.932 117.716 1.216 1
1 641 . 18 1 1 A 57 57 ASN H H 57 8.358 7.804 0.554 1
1 642 . 18 1 1 A 57 57 ASN HA H 57 4.302 4.455 -0.153 1
1 647 . 18 1 1 A 57 57 ASN C C 57 177.308 177.686 -0.378 1
1 648 . 18 1 1 A 57 57 ASN CA C 57 55.836 56.020 -0.184 1
1 649 . 18 1 1 A 57 57 ASN CB C 57 38.123 38.428 -0.305 1
1 650 . 18 1 1 A 57 57 ASN N N 57 118.552 118.565 -0.013 1
1 652 . 18 1 1 A 58 58 ALA H H 58 8.097 7.794 0.303 1
1 653 . 18 1 1 A 58 58 ALA HA H 58 3.280 3.422 -0.142 1
1 657 . 18 1 1 A 58 58 ALA C C 58 180.512 179.746 0.766 1
1 658 . 18 1 1 A 58 58 ALA CA C 58 54.711 54.393 0.318 1
1 659 . 18 1 1 A 58 58 ALA CB C 58 16.685 17.065 -0.380 1
1 660 . 18 1 1 A 58 58 ALA N N 58 125.426 121.779 3.647 1
1 661 . 18 1 1 A 59 59 ARG H H 59 8.104 7.392 0.712 1
1 662 . 18 1 1 A 59 59 ARG HA H 59 4.159 4.371 -0.212 1
1 669 . 18 1 1 A 59 59 ARG C C 59 178.570 178.998 -0.428 1
1 670 . 18 1 1 A 59 59 ARG CA C 59 59.916 59.686 0.230 1
1 671 . 18 1 1 A 59 59 ARG CB C 59 31.344 30.144 1.200 1
1 674 . 18 1 1 A 59 59 ARG N N 59 117.308 117.735 -0.427 1
1 675 . 18 1 1 A 60 60 GLN H H 60 7.532 8.229 -0.697 1
1 676 . 18 1 1 A 60 60 GLN HA H 60 4.118 4.062 0.056 1
1 683 . 18 1 1 A 60 60 GLN C C 60 178.036 177.711 0.325 1
1 684 . 18 1 1 A 60 60 GLN CA C 60 58.021 58.704 -0.683 1
1 685 . 18 1 1 A 60 60 GLN CB C 60 28.460 27.702 0.758 1
1 687 . 18 1 1 A 60 60 GLN N N 60 118.195 118.130 0.065 1
1 689 . 18 1 1 A 61 61 LYS H H 61 7.738 8.210 -0.472 1
1 690 . 18 1 1 A 61 61 LYS HA H 61 4.038 3.976 0.062 1
1 699 . 18 1 1 A 61 61 LYS C C 61 177.454 179.258 -1.804 1
1 700 . 18 1 1 A 61 61 LYS CA C 61 57.938 59.236 -1.298 1
1 701 . 18 1 1 A 61 61 LYS CB C 61 32.497 32.154 0.343 1
1 705 . 18 1 1 A 61 61 LYS N N 61 119.476 119.014 0.462 1
1 706 . 18 1 1 A 62 62 ALA H H 62 7.699 8.233 -0.534 1
1 707 . 18 1 1 A 62 62 ALA HA H 62 4.265 4.021 0.244 1
1 711 . 18 1 1 A 62 62 ALA C C 62 177.818 180.020 -2.202 1
1 712 . 18 1 1 A 62 62 ALA CA C 62 52.945 55.142 -2.197 1
1 713 . 18 1 1 A 62 62 ALA CB C 62 18.904 18.445 0.459 1
1 714 . 18 1 1 A 62 62 ALA N N 62 121.322 122.146 -0.824 1
1 715 . 18 1 1 A 63 63 ARG H H 63 7.831 7.658 0.173 1
1 716 . 18 1 1 A 63 63 ARG HA H 63 4.237 3.940 0.297 1
1 722 . 18 1 1 A 63 63 ARG C C 63 176.580 177.363 -0.783 1
1 723 . 18 1 1 A 63 63 ARG CA C 63 56.717 59.711 -2.994 1
1 724 . 18 1 1 A 63 63 ARG CB C 63 30.124 29.996 0.128 1
1 727 . 18 1 1 A 63 63 ARG N N 63 118.592 118.307 0.285 1
1 728 . 18 1 1 A 64 64 LYS H H 64 8.213 8.095 0.118 1
1 729 . 18 1 1 A 64 64 LYS HA H 64 4.365 4.405 -0.040 1
1 738 . 18 1 1 A 64 64 LYS C C 64 176.677 175.316 1.361 1
1 739 . 18 1 1 A 64 64 LYS CA C 64 56.329 54.814 1.515 1
1 740 . 18 1 1 A 64 64 LYS CB C 64 32.906 31.316 1.590 1
1 744 . 18 1 1 A 64 64 LYS N N 64 121.456 118.761 2.695 1
1 745 . 18 1 1 A 65 65 SER H H 65 8.289 8.177 0.112 1
1 746 . 18 1 1 A 65 65 SER HA H 65 4.510 4.716 -0.206 1
1 749 . 18 1 1 A 65 65 SER C C 65 174.492 174.742 -0.250 1
1 750 . 18 1 1 A 65 65 SER CA C 65 58.303 57.595 0.708 1
1 751 . 18 1 1 A 65 65 SER CB C 65 64.052 63.892 0.160 1
1 752 . 18 1 1 A 65 65 SER N N 65 116.719 118.461 -1.742 1
1 753 . 18 1 1 A 66 66 GLY H H 66 8.242 8.452 -0.210 1
1 754 . 18 1 1 A 66 66 GLY HA2 H 66 4.120 4.295 -0.175 1
1 755 . 18 1 1 A 66 66 GLY HA3 H 66 4.148 4.298 -0.150 1
1 756 . 18 1 1 A 66 66 GLY C C 66 171.798 174.404 -2.606 1
1 757 . 18 1 1 A 66 66 GLY CA C 66 44.687 43.639 1.048 1
1 758 . 18 1 1 A 66 66 GLY N N 66 110.632 109.136 1.496 1
1 759 . 18 1 1 A 67 67 PRO HA H 67 4.458 4.466 -0.008 1
1 766 . 18 1 1 A 67 67 PRO C C 67 177.429 175.998 1.431 1
1 767 . 18 1 1 A 67 67 PRO CA C 67 63.309 64.038 -0.729 1
1 768 . 18 1 1 A 67 67 PRO CB C 67 32.200 31.447 0.753 1
1 771 . 18 1 1 A 68 68 SER H H 68 8.535 7.721 0.814 1
1 772 . 18 1 1 A 68 68 SER HA H 68 4.482 4.849 -0.367 1
1 775 . 18 1 1 A 68 68 SER C C 68 174.638 172.763 1.875 1
1 776 . 18 1 1 A 68 68 SER CA C 68 58.444 56.961 1.483 1
1 777 . 18 1 1 A 68 68 SER CB C 68 63.838 63.559 0.279 1
1 778 . 18 1 1 A 68 68 SER N N 68 116.359 113.862 2.497 1
1 779 . 18 1 1 A 69 69 SER H H 69 8.300 8.777 -0.477 1
1 780 . 18 1 1 A 69 69 SER HA H 69 4.477 4.806 -0.329 1
1 783 . 18 1 1 A 69 69 SER C C 69 173.934 174.195 -0.261 1
1 784 . 18 1 1 A 69 69 SER CA C 69 58.374 56.933 1.441 1
1 785 . 18 1 1 A 69 69 SER CB C 69 64.134 63.893 0.241 1
1 786 . 18 1 1 A 69 69 SER N N 69 117.715 124.458 -6.743 1
1 1 . 19 1 1 A 10 10 SER HA H 10 4.461 4.695 -0.234 1
1 4 . 19 1 1 A 10 10 SER C C 10 174.492 173.883 0.609 1
1 5 . 19 1 1 A 10 10 SER CA C 10 58.479 58.307 0.172 1
1 6 . 19 1 1 A 10 10 SER CB C 10 63.932 63.585 0.347 1
1 7 . 19 1 1 A 11 11 ARG H H 11 8.318 8.368 -0.050 1
1 8 . 19 1 1 A 11 11 ARG HA H 11 4.391 4.562 -0.171 1
1 15 . 19 1 1 A 11 11 ARG C C 11 176.264 174.591 1.673 1
1 16 . 19 1 1 A 11 11 ARG CA C 11 56.118 55.436 0.682 1
1 17 . 19 1 1 A 11 11 ARG CB C 11 30.849 33.176 -2.327 1
1 20 . 19 1 1 A 11 11 ARG N N 11 122.795 127.570 -4.775 1
1 21 . 19 1 1 A 12 12 THR H H 12 8.159 8.658 -0.499 1
1 22 . 19 1 1 A 12 12 THR HA H 12 4.150 4.238 -0.088 1
1 27 . 19 1 1 A 12 12 THR C C 12 173.740 173.393 0.347 1
1 28 . 19 1 1 A 12 12 THR CA C 12 62.463 63.872 -1.409 1
1 29 . 19 1 1 A 12 12 THR CB C 12 69.770 68.803 0.967 1
1 31 . 19 1 1 A 12 12 THR N N 12 117.261 121.217 -3.956 1
1 32 . 19 1 1 A 13 13 ARG H H 13 8.319 8.417 -0.098 1
1 33 . 19 1 1 A 13 13 ARG HA H 13 4.332 4.842 -0.510 1
1 40 . 19 1 1 A 13 13 ARG C C 13 175.560 174.338 1.222 1
1 41 . 19 1 1 A 13 13 ARG CA C 13 55.518 53.921 1.597 1
1 42 . 19 1 1 A 13 13 ARG CB C 13 30.763 33.973 -3.210 1
1 45 . 19 1 1 A 13 13 ARG N N 13 125.163 125.887 -0.724 1
1 46 . 19 1 1 A 14 14 PHE H H 14 8.195 9.005 -0.810 1
1 47 . 19 1 1 A 14 14 PHE HA H 14 4.952 5.131 -0.179 1
1 55 . 19 1 1 A 14 14 PHE C C 14 176.993 174.367 2.626 1
1 56 . 19 1 1 A 14 14 PHE CA C 14 56.859 56.675 0.184 1
1 57 . 19 1 1 A 14 14 PHE CB C 14 41.107 43.182 -2.075 1
1 63 . 19 1 1 A 14 14 PHE N N 14 121.558 123.930 -2.372 1
1 64 . 19 1 1 A 15 15 THR H H 15 8.999 8.501 0.498 1
1 65 . 19 1 1 A 15 15 THR HA H 15 4.491 4.876 -0.385 1
1 70 . 19 1 1 A 15 15 THR C C 15 174.856 175.158 -0.302 1
1 71 . 19 1 1 A 15 15 THR CA C 15 60.559 59.771 0.788 1
1 72 . 19 1 1 A 15 15 THR CB C 15 70.890 71.000 -0.110 1
1 74 . 19 1 1 A 15 15 THR N N 15 113.369 115.153 -1.784 1
1 75 . 19 1 1 A 16 16 ASP H H 16 8.906 9.250 -0.344 1
1 76 . 19 1 1 A 16 16 ASP HA H 16 4.333 4.280 0.053 1
1 79 . 19 1 1 A 16 16 ASP C C 16 178.764 177.954 0.810 1
1 80 . 19 1 1 A 16 16 ASP CA C 16 57.911 58.227 -0.316 1
1 81 . 19 1 1 A 16 16 ASP CB C 16 39.994 40.439 -0.445 1
1 82 . 19 1 1 A 16 16 ASP N N 16 120.884 127.388 -6.504 1
1 83 . 19 1 1 A 17 17 TYR H H 17 8.356 8.217 0.139 1
1 84 . 19 1 1 A 17 17 TYR HA H 17 4.211 4.093 0.118 1
1 91 . 19 1 1 A 17 17 TYR C C 17 176.264 178.046 -1.782 1
1 92 . 19 1 1 A 17 17 TYR CA C 17 61.045 61.759 -0.714 1
1 93 . 19 1 1 A 17 17 TYR CB C 17 38.666 38.649 0.017 1
1 98 . 19 1 1 A 17 17 TYR N N 17 119.909 122.279 -2.370 1
1 99 . 19 1 1 A 18 18 GLN H H 18 7.582 8.169 -0.587 1
1 100 . 19 1 1 A 18 18 GLN HA H 18 3.482 3.582 -0.100 1
1 107 . 19 1 1 A 18 18 GLN C C 18 177.502 178.328 -0.826 1
1 108 . 19 1 1 A 18 18 GLN CA C 18 58.726 58.567 0.159 1
1 109 . 19 1 1 A 18 18 GLN CB C 18 27.717 28.307 -0.590 1
1 111 . 19 1 1 A 18 18 GLN N N 18 116.647 118.925 -2.278 1
1 113 . 19 1 1 A 19 19 LEU H H 19 8.170 8.707 -0.537 1
1 114 . 19 1 1 A 19 19 LEU HA H 19 3.508 3.661 -0.153 1
1 124 . 19 1 1 A 19 19 LEU C C 19 178.546 178.971 -0.425 1
1 125 . 19 1 1 A 19 19 LEU CA C 19 57.625 57.824 -0.199 1
1 126 . 19 1 1 A 19 19 LEU CB C 19 41.812 41.346 0.466 1
1 130 . 19 1 1 A 19 19 LEU N N 19 115.406 119.864 -4.458 1
1 131 . 19 1 1 A 20 20 ARG H H 20 7.792 8.142 -0.350 1
1 132 . 19 1 1 A 20 20 ARG HA H 20 3.917 3.975 -0.058 1
1 138 . 19 1 1 A 20 20 ARG C C 20 178.036 178.704 -0.668 1
1 139 . 19 1 1 A 20 20 ARG CA C 20 59.026 59.089 -0.063 1
1 140 . 19 1 1 A 20 20 ARG CB C 20 29.861 29.843 0.018 1
1 143 . 19 1 1 A 20 20 ARG N N 20 120.360 120.648 -0.288 1
1 144 . 19 1 1 A 21 21 VAL H H 21 7.601 7.447 0.154 1
1 145 . 19 1 1 A 21 21 VAL HA H 21 3.533 3.600 -0.067 1
1 153 . 19 1 1 A 21 21 VAL C C 21 179.541 178.035 1.506 1
1 154 . 19 1 1 A 21 21 VAL CA C 21 66.327 66.055 0.272 1
1 155 . 19 1 1 A 21 21 VAL CB C 21 31.509 31.457 0.052 1
1 158 . 19 1 1 A 21 21 VAL N N 21 119.151 119.057 0.094 1
1 159 . 19 1 1 A 22 22 LEU H H 22 7.898 8.252 -0.354 1
1 160 . 19 1 1 A 22 22 LEU HA H 22 3.513 3.775 -0.262 1
1 170 . 19 1 1 A 22 22 LEU C C 22 177.527 179.168 -1.641 1
1 171 . 19 1 1 A 22 22 LEU CA C 22 58.181 58.040 0.141 1
1 172 . 19 1 1 A 22 22 LEU CB C 22 38.573 40.623 -2.050 1
1 176 . 19 1 1 A 22 22 LEU N N 22 119.825 119.784 0.041 1
1 177 . 19 1 1 A 23 23 GLN H H 23 8.171 8.359 -0.188 1
1 178 . 19 1 1 A 23 23 GLN HA H 23 3.925 3.963 -0.038 1
1 185 . 19 1 1 A 23 23 GLN C C 23 178.061 177.627 0.434 1
1 186 . 19 1 1 A 23 23 GLN CA C 23 58.832 58.980 -0.148 1
1 187 . 19 1 1 A 23 23 GLN CB C 23 28.769 28.648 0.121 1
1 189 . 19 1 1 A 23 23 GLN N N 23 118.186 118.152 0.034 1
1 191 . 19 1 1 A 24 24 ASP H H 24 8.446 8.049 0.397 1
1 192 . 19 1 1 A 24 24 ASP HA H 24 4.373 4.438 -0.065 1
1 195 . 19 1 1 A 24 24 ASP C C 24 179.347 178.664 0.683 1
1 196 . 19 1 1 A 24 24 ASP CA C 24 57.294 57.287 0.007 1
1 197 . 19 1 1 A 24 24 ASP CB C 24 40.035 41.014 -0.979 1
1 198 . 19 1 1 A 24 24 ASP N N 24 118.634 119.553 -0.919 1
1 199 . 19 1 1 A 25 25 PHE H H 25 8.224 8.378 -0.154 1
1 200 . 19 1 1 A 25 25 PHE HA H 25 4.062 4.300 -0.238 1
1 208 . 19 1 1 A 25 25 PHE C C 25 177.891 177.526 0.365 1
1 209 . 19 1 1 A 25 25 PHE CA C 25 61.546 60.958 0.588 1
1 210 . 19 1 1 A 25 25 PHE CB C 25 39.246 39.087 0.159 1
1 216 . 19 1 1 A 25 25 PHE N N 25 121.633 119.919 1.714 1
1 217 . 19 1 1 A 26 26 PHE H H 26 9.167 8.212 0.955 1
1 218 . 19 1 1 A 26 26 PHE HA H 26 4.302 4.619 -0.317 1
1 226 . 19 1 1 A 26 26 PHE C C 26 176.531 177.141 -0.610 1
1 227 . 19 1 1 A 26 26 PHE CA C 26 61.476 61.352 0.124 1
1 228 . 19 1 1 A 26 26 PHE CB C 26 39.471 38.987 0.484 1
1 234 . 19 1 1 A 26 26 PHE N N 26 121.265 120.062 1.203 1
1 235 . 19 1 1 A 27 27 ASP H H 27 8.654 8.530 0.124 1
1 236 . 19 1 1 A 27 27 ASP HA H 27 4.238 4.476 -0.238 1
1 239 . 19 1 1 A 27 27 ASP C C 27 177.429 177.482 -0.053 1
1 240 . 19 1 1 A 27 27 ASP CA C 27 56.717 57.582 -0.865 1
1 241 . 19 1 1 A 27 27 ASP CB C 27 40.406 41.802 -1.396 1
1 242 . 19 1 1 A 27 27 ASP N N 27 116.555 119.479 -2.924 1
1 243 . 19 1 1 A 28 28 ALA H H 28 7.262 7.681 -0.419 1
1 244 . 19 1 1 A 28 28 ALA HA H 28 4.316 4.308 0.008 1
1 248 . 19 1 1 A 28 28 ALA C C 28 177.891 177.407 0.484 1
1 249 . 19 1 1 A 28 28 ALA CA C 28 52.839 53.563 -0.724 1
1 250 . 19 1 1 A 28 28 ALA CB C 28 19.698 19.841 -0.143 1
1 251 . 19 1 1 A 28 28 ALA N N 28 120.441 119.145 1.296 1
1 252 . 19 1 1 A 29 29 ASN H H 29 8.346 8.409 -0.063 1
1 253 . 19 1 1 A 29 29 ASN HA H 29 4.432 5.044 -0.612 1
1 258 . 19 1 1 A 29 29 ASN C C 29 172.259 174.528 -2.269 1
1 259 . 19 1 1 A 29 29 ASN CA C 29 52.943 52.340 0.603 1
1 260 . 19 1 1 A 29 29 ASN CB C 29 38.435 41.419 -2.984 1
1 261 . 19 1 1 A 29 29 ASN N N 29 118.701 114.640 4.061 1
1 263 . 19 1 1 A 30 30 ALA H H 30 8.177 8.772 -0.595 1
1 264 . 19 1 1 A 30 30 ALA HA H 30 4.010 4.905 -0.895 1
1 268 . 19 1 1 A 30 30 ALA C C 30 176.798 176.976 -0.178 1
1 269 . 19 1 1 A 30 30 ALA CA C 30 52.980 51.172 1.808 1
1 270 . 19 1 1 A 30 30 ALA CB C 30 19.233 19.652 -0.419 1
1 271 . 19 1 1 A 30 30 ALA N N 30 124.112 128.174 -4.062 1
1 272 . 19 1 1 A 31 31 TYR H H 31 7.984 7.937 0.047 1
1 273 . 19 1 1 A 31 31 TYR HA H 31 4.672 5.167 -0.495 1
1 280 . 19 1 1 A 31 31 TYR C C 31 172.283 173.148 -0.865 1
1 281 . 19 1 1 A 31 31 TYR CA C 31 55.483 55.537 -0.054 1
1 282 . 19 1 1 A 31 31 TYR CB C 31 39.058 38.337 0.721 1
1 287 . 19 1 1 A 31 31 TYR N N 31 115.568 117.744 -2.176 1
1 288 . 19 1 1 A 32 32 PRO HA H 32 4.249 4.701 -0.452 1
1 295 . 19 1 1 A 32 32 PRO C C 32 176.871 176.612 0.259 1
1 296 . 19 1 1 A 32 32 PRO CA C 32 62.710 62.862 -0.152 1
1 297 . 19 1 1 A 32 32 PRO CB C 32 29.959 32.563 -2.604 1
1 300 . 19 1 1 A 33 33 LYS H H 33 9.168 8.713 0.455 1
1 301 . 19 1 1 A 33 33 LYS HA H 33 4.426 4.806 -0.380 1
1 310 . 19 1 1 A 33 33 LYS C C 33 178.061 178.126 -0.065 1
1 311 . 19 1 1 A 33 33 LYS CA C 33 55.236 55.049 0.187 1
1 312 . 19 1 1 A 33 33 LYS CB C 33 33.980 33.983 -0.003 1
1 316 . 19 1 1 A 33 33 LYS N N 33 121.451 121.273 0.178 1
1 317 . 19 1 1 A 34 34 ASP H H 34 9.017 8.883 0.134 1
1 318 . 19 1 1 A 34 34 ASP HA H 34 4.566 4.329 0.237 1
1 321 . 19 1 1 A 34 34 ASP C C 34 179.007 178.002 1.005 1
1 322 . 19 1 1 A 34 34 ASP CA C 34 58.973 57.828 1.145 1
1 323 . 19 1 1 A 34 34 ASP CB C 34 39.834 40.167 -0.333 1
1 324 . 19 1 1 A 34 34 ASP N N 34 122.268 121.851 0.417 1
1 325 . 19 1 1 A 35 35 ASP H H 35 8.955 8.392 0.563 1
1 326 . 19 1 1 A 35 35 ASP HA H 35 4.408 4.323 0.085 1
1 329 . 19 1 1 A 35 35 ASP C C 35 178.837 178.673 0.164 1
1 330 . 19 1 1 A 35 35 ASP CA C 35 56.611 58.020 -1.409 1
1 331 . 19 1 1 A 35 35 ASP CB C 35 39.609 42.043 -2.434 1
1 332 . 19 1 1 A 35 35 ASP N N 35 116.861 119.281 -2.420 1
1 333 . 19 1 1 A 36 36 GLU H H 36 7.208 7.889 -0.681 1
1 334 . 19 1 1 A 36 36 GLU HA H 36 4.051 4.035 0.016 1
1 339 . 19 1 1 A 36 36 GLU C C 36 179.226 179.125 0.101 1
1 340 . 19 1 1 A 36 36 GLU CA C 36 58.761 59.139 -0.378 1
1 341 . 19 1 1 A 36 36 GLU CB C 36 29.689 29.392 0.297 1
1 343 . 19 1 1 A 36 36 GLU N N 36 121.585 118.641 2.944 1
1 344 . 19 1 1 A 37 37 PHE H H 37 7.997 8.513 -0.516 1
1 345 . 19 1 1 A 37 37 PHE HA H 37 4.164 3.976 0.188 1
1 353 . 19 1 1 A 37 37 PHE C C 37 178.400 178.114 0.286 1
1 354 . 19 1 1 A 37 37 PHE CA C 37 61.915 61.230 0.685 1
1 355 . 19 1 1 A 37 37 PHE CB C 37 38.320 38.189 0.131 1
1 361 . 19 1 1 A 37 37 PHE N N 37 118.258 119.091 -0.833 1
1 362 . 19 1 1 A 38 38 GLU H H 38 7.806 8.219 -0.413 1
1 363 . 19 1 1 A 38 38 GLU HA H 38 4.027 4.007 0.020 1
1 368 . 19 1 1 A 38 38 GLU C C 38 178.764 179.243 -0.479 1
1 369 . 19 1 1 A 38 38 GLU CA C 38 59.325 60.054 -0.729 1
1 370 . 19 1 1 A 38 38 GLU CB C 38 29.083 29.301 -0.218 1
1 372 . 19 1 1 A 38 38 GLU N N 38 118.433 119.117 -0.684 1
1 373 . 19 1 1 A 39 39 GLN H H 39 7.845 8.243 -0.398 1
1 374 . 19 1 1 A 39 39 GLN HA H 39 4.149 3.856 0.293 1
1 381 . 19 1 1 A 39 39 GLN C C 39 179.541 178.757 0.784 1
1 382 . 19 1 1 A 39 39 GLN CA C 39 59.184 59.185 -0.001 1
1 383 . 19 1 1 A 39 39 GLN CB C 39 28.097 28.119 -0.022 1
1 385 . 19 1 1 A 39 39 GLN N N 39 119.859 118.861 0.998 1
1 387 . 19 1 1 A 40 40 LEU H H 40 8.130 7.449 0.681 1
1 388 . 19 1 1 A 40 40 LEU HA H 40 3.938 4.057 -0.119 1
1 398 . 19 1 1 A 40 40 LEU C C 40 178.158 179.332 -1.174 1
1 399 . 19 1 1 A 40 40 LEU CA C 40 58.092 57.544 0.548 1
1 400 . 19 1 1 A 40 40 LEU CB C 40 43.194 41.086 2.108 1
1 404 . 19 1 1 A 40 40 LEU N N 40 120.785 119.796 0.989 1
1 405 . 19 1 1 A 41 41 SER H H 41 8.241 8.441 -0.200 1
1 406 . 19 1 1 A 41 41 SER HA H 41 4.251 4.175 0.076 1
1 409 . 19 1 1 A 41 41 SER C C 41 177.891 177.113 0.778 1
1 410 . 19 1 1 A 41 41 SER CA C 41 61.194 61.443 -0.249 1
1 411 . 19 1 1 A 41 41 SER CB C 41 63.501 62.470 1.031 1
1 412 . 19 1 1 A 41 41 SER N N 41 114.804 113.943 0.861 1
1 413 . 19 1 1 A 42 42 ASN H H 42 7.969 8.070 -0.101 1
1 414 . 19 1 1 A 42 42 ASN HA H 42 4.515 4.615 -0.100 1
1 419 . 19 1 1 A 42 42 ASN C C 42 177.381 177.925 -0.544 1
1 420 . 19 1 1 A 42 42 ASN CA C 42 55.871 56.237 -0.366 1
1 421 . 19 1 1 A 42 42 ASN CB C 42 38.920 38.770 0.150 1
1 422 . 19 1 1 A 42 42 ASN N N 42 118.051 120.968 -2.917 1
1 424 . 19 1 1 A 43 43 LEU H H 43 8.169 7.560 0.609 1
1 425 . 19 1 1 A 43 43 LEU HA H 43 4.189 4.104 0.085 1
1 435 . 19 1 1 A 43 43 LEU C C 43 178.837 178.717 0.120 1
1 436 . 19 1 1 A 43 43 LEU CA C 43 57.845 58.209 -0.364 1
1 437 . 19 1 1 A 43 43 LEU CB C 43 43.382 42.134 1.248 1
1 441 . 19 1 1 A 43 43 LEU N N 43 120.419 121.364 -0.945 1
1 442 . 19 1 1 A 44 44 LEU H H 44 8.185 7.910 0.275 1
1 443 . 19 1 1 A 44 44 LEU HA H 44 4.445 4.176 0.269 1
1 453 . 19 1 1 A 44 44 LEU C C 44 176.677 176.508 0.169 1
1 454 . 19 1 1 A 44 44 LEU CA C 44 54.397 55.144 -0.747 1
1 455 . 19 1 1 A 44 44 LEU CB C 44 43.111 42.026 1.085 1
1 459 . 19 1 1 A 44 44 LEU N N 44 113.030 118.236 -5.206 1
1 460 . 19 1 1 A 45 45 ASN H H 45 8.100 8.234 -0.134 1
1 461 . 19 1 1 A 45 45 ASN HA H 45 4.440 4.467 -0.027 1
1 466 . 19 1 1 A 45 45 ASN C C 45 174.395 173.846 0.549 1
1 467 . 19 1 1 A 45 45 ASN CA C 45 54.073 54.477 -0.404 1
1 468 . 19 1 1 A 45 45 ASN CB C 45 36.970 37.647 -0.677 1
1 469 . 19 1 1 A 45 45 ASN N N 45 117.438 117.797 -0.359 1
1 471 . 19 1 1 A 46 46 LEU H H 46 7.476 7.760 -0.284 1
1 472 . 19 1 1 A 46 46 LEU HA H 46 4.980 4.794 0.186 1
1 482 . 19 1 1 A 46 46 LEU C C 46 173.691 174.644 -0.953 1
1 483 . 19 1 1 A 46 46 LEU CA C 46 51.032 51.764 -0.732 1
1 484 . 19 1 1 A 46 46 LEU CB C 46 46.668 43.392 3.276 1
1 488 . 19 1 1 A 46 46 LEU N N 46 117.604 119.681 -2.077 1
1 489 . 19 1 1 A 47 47 PRO HA H 47 4.515 4.681 -0.166 1
1 496 . 19 1 1 A 47 47 PRO C C 47 177.915 177.594 0.321 1
1 497 . 19 1 1 A 47 47 PRO CA C 47 62.392 62.859 -0.467 1
1 498 . 19 1 1 A 47 47 PRO CB C 47 32.592 31.813 0.779 1
1 501 . 19 1 1 A 48 48 THR H H 48 8.818 8.662 0.156 1
1 502 . 19 1 1 A 48 48 THR HA H 48 3.590 3.964 -0.374 1
1 507 . 19 1 1 A 48 48 THR C C 48 176.628 175.879 0.749 1
1 508 . 19 1 1 A 48 48 THR CA C 48 67.384 65.352 2.032 1
1 509 . 19 1 1 A 48 48 THR CB C 48 67.996 68.320 -0.324 1
1 511 . 19 1 1 A 48 48 THR N N 48 120.240 118.643 1.597 1
1 512 . 19 1 1 A 49 49 ARG H H 49 8.750 8.347 0.403 1
1 513 . 19 1 1 A 49 49 ARG HA H 49 3.899 4.034 -0.135 1
1 520 . 19 1 1 A 49 49 ARG C C 49 178.012 178.487 -0.475 1
1 521 . 19 1 1 A 49 49 ARG CA C 49 59.079 58.675 0.404 1
1 522 . 19 1 1 A 49 49 ARG CB C 49 29.474 30.188 -0.714 1
1 525 . 19 1 1 A 49 49 ARG N N 49 117.541 121.054 -3.513 1
1 526 . 19 1 1 A 50 50 VAL H H 50 6.994 8.076 -1.082 1
1 527 . 19 1 1 A 50 50 VAL HA H 50 3.885 3.746 0.139 1
1 535 . 19 1 1 A 50 50 VAL C C 50 178.400 178.285 0.115 1
1 536 . 19 1 1 A 50 50 VAL CA C 50 65.099 66.241 -1.142 1
1 537 . 19 1 1 A 50 50 VAL CB C 50 31.909 31.706 0.203 1
1 540 . 19 1 1 A 50 50 VAL N N 50 115.765 120.308 -4.543 1
1 541 . 19 1 1 A 51 51 ILE H H 51 7.358 8.098 -0.740 1
1 542 . 19 1 1 A 51 51 ILE HA H 51 3.814 3.864 -0.050 1
1 552 . 19 1 1 A 51 51 ILE C C 51 177.648 178.797 -1.149 1
1 553 . 19 1 1 A 51 51 ILE CA C 51 65.318 64.351 0.967 1
1 554 . 19 1 1 A 51 51 ILE CB C 51 38.017 36.442 1.575 1
1 558 . 19 1 1 A 51 51 ILE N N 51 122.170 120.053 2.117 1
1 559 . 19 1 1 A 52 52 VAL H H 52 8.401 8.520 -0.119 1
1 560 . 19 1 1 A 52 52 VAL HA H 52 3.290 3.604 -0.314 1
1 568 . 19 1 1 A 52 52 VAL C C 52 179.177 177.988 1.189 1
1 569 . 19 1 1 A 52 52 VAL CA C 52 67.021 66.871 0.150 1
1 570 . 19 1 1 A 52 52 VAL CB C 52 31.583 31.519 0.064 1
1 573 . 19 1 1 A 52 52 VAL N N 52 121.321 121.297 0.024 1
1 574 . 19 1 1 A 53 53 VAL H H 53 7.691 7.735 -0.044 1
1 575 . 19 1 1 A 53 53 VAL HA H 53 3.711 3.769 -0.058 1
1 583 . 19 1 1 A 53 53 VAL C C 53 177.648 178.227 -0.579 1
1 584 . 19 1 1 A 53 53 VAL CA C 53 66.531 66.401 0.130 1
1 585 . 19 1 1 A 53 53 VAL CB C 53 31.936 31.639 0.297 1
1 588 . 19 1 1 A 53 53 VAL N N 53 119.305 119.190 0.115 1
1 589 . 19 1 1 A 54 54 TRP H H 54 8.127 7.923 0.204 1
1 590 . 19 1 1 A 54 54 TRP HA H 54 4.016 4.293 -0.277 1
1 599 . 19 1 1 A 54 54 TRP C C 54 180.100 178.428 1.672 1
1 600 . 19 1 1 A 54 54 TRP CA C 54 63.534 61.389 2.145 1
1 601 . 19 1 1 A 54 54 TRP CB C 54 28.747 29.517 -0.770 1
1 607 . 19 1 1 A 54 54 TRP N N 54 122.197 121.656 0.541 1
1 609 . 19 1 1 A 55 55 PHE H H 55 8.964 8.650 0.314 1
1 610 . 19 1 1 A 55 55 PHE HA H 55 3.843 4.448 -0.605 1
1 618 . 19 1 1 A 55 55 PHE C C 55 178.158 178.415 -0.257 1
1 619 . 19 1 1 A 55 55 PHE CA C 55 63.309 62.528 0.781 1
1 620 . 19 1 1 A 55 55 PHE CB C 55 39.818 38.921 0.897 1
1 626 . 19 1 1 A 55 55 PHE N N 55 119.663 118.666 0.997 1
1 627 . 19 1 1 A 56 56 GLN H H 56 8.412 8.743 -0.331 1
1 628 . 19 1 1 A 56 56 GLN HA H 56 3.984 3.865 0.119 1
1 635 . 19 1 1 A 56 56 GLN C C 56 179.420 179.051 0.369 1
1 636 . 19 1 1 A 56 56 GLN CA C 56 59.678 59.146 0.532 1
1 637 . 19 1 1 A 56 56 GLN CB C 56 27.981 28.290 -0.309 1
1 639 . 19 1 1 A 56 56 GLN N N 56 118.932 117.688 1.244 1
1 641 . 19 1 1 A 57 57 ASN H H 57 8.358 7.896 0.462 1
1 642 . 19 1 1 A 57 57 ASN HA H 57 4.302 4.455 -0.153 1
1 647 . 19 1 1 A 57 57 ASN C C 57 177.308 177.560 -0.252 1
1 648 . 19 1 1 A 57 57 ASN CA C 57 55.836 56.132 -0.296 1
1 649 . 19 1 1 A 57 57 ASN CB C 57 38.123 38.430 -0.307 1
1 650 . 19 1 1 A 57 57 ASN N N 57 118.552 118.444 0.108 1
1 652 . 19 1 1 A 58 58 ALA H H 58 8.097 7.749 0.348 1
1 653 . 19 1 1 A 58 58 ALA HA H 58 3.280 3.484 -0.204 1
1 657 . 19 1 1 A 58 58 ALA C C 58 180.512 180.036 0.476 1
1 658 . 19 1 1 A 58 58 ALA CA C 58 54.711 54.704 0.007 1
1 659 . 19 1 1 A 58 58 ALA CB C 58 16.685 17.412 -0.727 1
1 660 . 19 1 1 A 58 58 ALA N N 58 125.426 121.786 3.640 1
1 661 . 19 1 1 A 59 59 ARG H H 59 8.104 7.689 0.415 1
1 662 . 19 1 1 A 59 59 ARG HA H 59 4.159 4.353 -0.194 1
1 669 . 19 1 1 A 59 59 ARG C C 59 178.570 179.114 -0.544 1
1 670 . 19 1 1 A 59 59 ARG CA C 59 59.916 59.749 0.167 1
1 671 . 19 1 1 A 59 59 ARG CB C 59 31.344 30.059 1.285 1
1 674 . 19 1 1 A 59 59 ARG N N 59 117.308 117.366 -0.058 1
1 675 . 19 1 1 A 60 60 GLN H H 60 7.532 7.761 -0.229 1
1 676 . 19 1 1 A 60 60 GLN HA H 60 4.118 3.990 0.128 1
1 683 . 19 1 1 A 60 60 GLN C C 60 178.036 178.854 -0.818 1
1 684 . 19 1 1 A 60 60 GLN CA C 60 58.021 58.836 -0.815 1
1 685 . 19 1 1 A 60 60 GLN CB C 60 28.460 28.430 0.030 1
1 687 . 19 1 1 A 60 60 GLN N N 60 118.195 118.625 -0.430 1
1 689 . 19 1 1 A 61 61 LYS H H 61 7.738 8.089 -0.351 1
1 690 . 19 1 1 A 61 61 LYS HA H 61 4.038 3.978 0.060 1
1 699 . 19 1 1 A 61 61 LYS C C 61 177.454 179.238 -1.784 1
1 700 . 19 1 1 A 61 61 LYS CA C 61 57.938 59.285 -1.347 1
1 701 . 19 1 1 A 61 61 LYS CB C 61 32.497 32.102 0.395 1
1 705 . 19 1 1 A 61 61 LYS N N 61 119.476 119.240 0.236 1
1 706 . 19 1 1 A 62 62 ALA H H 62 7.699 7.871 -0.172 1
1 707 . 19 1 1 A 62 62 ALA HA H 62 4.265 4.220 0.045 1
1 711 . 19 1 1 A 62 62 ALA C C 62 177.818 178.360 -0.542 1
1 712 . 19 1 1 A 62 62 ALA CA C 62 52.945 54.950 -2.005 1
1 713 . 19 1 1 A 62 62 ALA CB C 62 18.904 18.546 0.358 1
1 714 . 19 1 1 A 62 62 ALA N N 62 121.322 120.870 0.452 1
1 715 . 19 1 1 A 63 63 ARG H H 63 7.831 8.109 -0.278 1
1 716 . 19 1 1 A 63 63 ARG HA H 63 4.237 4.401 -0.164 1
1 722 . 19 1 1 A 63 63 ARG C C 63 176.580 176.030 0.550 1
1 723 . 19 1 1 A 63 63 ARG CA C 63 56.717 55.832 0.885 1
1 724 . 19 1 1 A 63 63 ARG CB C 63 30.124 30.959 -0.835 1
1 727 . 19 1 1 A 63 63 ARG N N 63 118.592 117.329 1.263 1
1 728 . 19 1 1 A 64 64 LYS H H 64 8.213 8.428 -0.215 1
1 729 . 19 1 1 A 64 64 LYS HA H 64 4.365 4.164 0.201 1
1 738 . 19 1 1 A 64 64 LYS C C 64 176.677 176.485 0.192 1
1 739 . 19 1 1 A 64 64 LYS CA C 64 56.329 56.704 -0.375 1
1 740 . 19 1 1 A 64 64 LYS CB C 64 32.906 32.684 0.222 1
1 744 . 19 1 1 A 64 64 LYS N N 64 121.456 123.995 -2.539 1
1 745 . 19 1 1 A 65 65 SER H H 65 8.289 8.672 -0.383 1
1 746 . 19 1 1 A 65 65 SER HA H 65 4.510 5.345 -0.835 1
1 749 . 19 1 1 A 65 65 SER C C 65 174.492 173.411 1.081 1
1 750 . 19 1 1 A 65 65 SER CA C 65 58.303 56.948 1.355 1
1 751 . 19 1 1 A 65 65 SER CB C 65 64.052 65.931 -1.879 1
1 752 . 19 1 1 A 65 65 SER N N 65 116.719 117.652 -0.933 1
1 753 . 19 1 1 A 66 66 GLY H H 66 8.242 8.344 -0.102 1
1 754 . 19 1 1 A 66 66 GLY HA2 H 66 4.120 4.178 -0.058 1
1 755 . 19 1 1 A 66 66 GLY HA3 H 66 4.148 4.180 -0.032 1
1 756 . 19 1 1 A 66 66 GLY C C 66 171.798 170.516 1.282 1
1 757 . 19 1 1 A 66 66 GLY CA C 66 44.687 45.295 -0.608 1
1 758 . 19 1 1 A 66 66 GLY N N 66 110.632 110.152 0.480 1
1 759 . 19 1 1 A 67 67 PRO HA H 67 4.458 4.572 -0.114 1
1 766 . 19 1 1 A 67 67 PRO C C 67 177.429 176.423 1.006 1
1 767 . 19 1 1 A 67 67 PRO CA C 67 63.309 62.686 0.623 1
1 768 . 19 1 1 A 67 67 PRO CB C 67 32.200 32.471 -0.271 1
1 771 . 19 1 1 A 68 68 SER H H 68 8.535 8.452 0.083 1
1 772 . 19 1 1 A 68 68 SER HA H 68 4.482 4.465 0.017 1
1 775 . 19 1 1 A 68 68 SER C C 68 174.638 174.116 0.522 1
1 776 . 19 1 1 A 68 68 SER CA C 68 58.444 59.731 -1.287 1
1 777 . 19 1 1 A 68 68 SER CB C 68 63.838 62.490 1.348 1
1 778 . 19 1 1 A 68 68 SER N N 68 116.359 119.456 -3.097 1
1 779 . 19 1 1 A 69 69 SER H H 69 8.300 7.909 0.391 1
1 780 . 19 1 1 A 69 69 SER HA H 69 4.477 5.078 -0.601 1
1 783 . 19 1 1 A 69 69 SER C C 69 173.934 173.048 0.886 1
1 784 . 19 1 1 A 69 69 SER CA C 69 58.374 57.784 0.590 1
1 785 . 19 1 1 A 69 69 SER CB C 69 64.134 67.131 -2.997 1
1 786 . 19 1 1 A 69 69 SER N N 69 117.715 120.438 -2.723 1
1 1 . 20 1 1 A 10 10 SER HA H 10 4.461 4.506 -0.045 1
1 4 . 20 1 1 A 10 10 SER C C 10 174.492 174.431 0.061 1
1 5 . 20 1 1 A 10 10 SER CA C 10 58.479 59.134 -0.655 1
1 6 . 20 1 1 A 10 10 SER CB C 10 63.932 64.123 -0.191 1
1 7 . 20 1 1 A 11 11 ARG H H 11 8.318 8.513 -0.195 1
1 8 . 20 1 1 A 11 11 ARG HA H 11 4.391 4.709 -0.318 1
1 15 . 20 1 1 A 11 11 ARG C C 11 176.264 174.506 1.758 1
1 16 . 20 1 1 A 11 11 ARG CA C 11 56.118 54.745 1.373 1
1 17 . 20 1 1 A 11 11 ARG CB C 11 30.849 31.375 -0.526 1
1 20 . 20 1 1 A 11 11 ARG N N 11 122.795 124.968 -2.173 1
1 21 . 20 1 1 A 12 12 THR H H 12 8.159 9.044 -0.885 1
1 22 . 20 1 1 A 12 12 THR HA H 12 4.150 4.857 -0.707 1
1 27 . 20 1 1 A 12 12 THR C C 12 173.740 173.782 -0.042 1
1 28 . 20 1 1 A 12 12 THR CA C 12 62.463 61.660 0.803 1
1 29 . 20 1 1 A 12 12 THR CB C 12 69.770 70.684 -0.914 1
1 31 . 20 1 1 A 12 12 THR N N 12 117.261 120.853 -3.592 1
1 32 . 20 1 1 A 13 13 ARG H H 13 8.319 8.681 -0.362 1
1 33 . 20 1 1 A 13 13 ARG HA H 13 4.332 4.810 -0.478 1
1 40 . 20 1 1 A 13 13 ARG C C 13 175.560 173.663 1.897 1
1 41 . 20 1 1 A 13 13 ARG CA C 13 55.518 54.380 1.138 1
1 42 . 20 1 1 A 13 13 ARG CB C 13 30.763 33.742 -2.979 1
1 45 . 20 1 1 A 13 13 ARG N N 13 125.163 120.839 4.324 1
1 46 . 20 1 1 A 14 14 PHE H H 14 8.195 9.008 -0.813 1
1 47 . 20 1 1 A 14 14 PHE HA H 14 4.952 5.327 -0.375 1
1 55 . 20 1 1 A 14 14 PHE C C 14 176.993 174.750 2.243 1
1 56 . 20 1 1 A 14 14 PHE CA C 14 56.859 55.912 0.947 1
1 57 . 20 1 1 A 14 14 PHE CB C 14 41.107 41.673 -0.566 1
1 63 . 20 1 1 A 14 14 PHE N N 14 121.558 119.897 1.661 1
1 64 . 20 1 1 A 15 15 THR H H 15 8.999 8.531 0.468 1
1 65 . 20 1 1 A 15 15 THR HA H 15 4.491 4.887 -0.396 1
1 70 . 20 1 1 A 15 15 THR C C 15 174.856 175.263 -0.407 1
1 71 . 20 1 1 A 15 15 THR CA C 15 60.559 59.822 0.737 1
1 72 . 20 1 1 A 15 15 THR CB C 15 70.890 70.843 0.047 1
1 74 . 20 1 1 A 15 15 THR N N 15 113.369 116.096 -2.727 1
1 75 . 20 1 1 A 16 16 ASP H H 16 8.906 9.206 -0.300 1
1 76 . 20 1 1 A 16 16 ASP HA H 16 4.333 4.279 0.054 1
1 79 . 20 1 1 A 16 16 ASP C C 16 178.764 177.930 0.834 1
1 80 . 20 1 1 A 16 16 ASP CA C 16 57.911 58.224 -0.313 1
1 81 . 20 1 1 A 16 16 ASP CB C 16 39.994 40.410 -0.416 1
1 82 . 20 1 1 A 16 16 ASP N N 16 120.884 126.914 -6.030 1
1 83 . 20 1 1 A 17 17 TYR H H 17 8.356 8.155 0.201 1
1 84 . 20 1 1 A 17 17 TYR HA H 17 4.211 4.117 0.094 1
1 91 . 20 1 1 A 17 17 TYR C C 17 176.264 177.607 -1.343 1
1 92 . 20 1 1 A 17 17 TYR CA C 17 61.045 62.114 -1.069 1
1 93 . 20 1 1 A 17 17 TYR CB C 17 38.666 38.893 -0.227 1
1 98 . 20 1 1 A 17 17 TYR N N 17 119.909 121.965 -2.056 1
1 99 . 20 1 1 A 18 18 GLN H H 18 7.582 8.311 -0.729 1
1 100 . 20 1 1 A 18 18 GLN HA H 18 3.482 4.059 -0.577 1
1 107 . 20 1 1 A 18 18 GLN C C 18 177.502 178.561 -1.059 1
1 108 . 20 1 1 A 18 18 GLN CA C 18 58.726 59.136 -0.410 1
1 109 . 20 1 1 A 18 18 GLN CB C 18 27.717 28.522 -0.805 1
1 111 . 20 1 1 A 18 18 GLN N N 18 116.647 118.871 -2.224 1
1 113 . 20 1 1 A 19 19 LEU H H 19 8.170 8.730 -0.560 1
1 114 . 20 1 1 A 19 19 LEU HA H 19 3.508 3.758 -0.250 1
1 124 . 20 1 1 A 19 19 LEU C C 19 178.546 179.322 -0.776 1
1 125 . 20 1 1 A 19 19 LEU CA C 19 57.625 57.697 -0.072 1
1 126 . 20 1 1 A 19 19 LEU CB C 19 41.812 40.885 0.927 1
1 130 . 20 1 1 A 19 19 LEU N N 19 115.406 119.551 -4.145 1
1 131 . 20 1 1 A 20 20 ARG H H 20 7.792 8.029 -0.237 1
1 132 . 20 1 1 A 20 20 ARG HA H 20 3.917 3.924 -0.007 1
1 138 . 20 1 1 A 20 20 ARG C C 20 178.036 178.729 -0.693 1
1 139 . 20 1 1 A 20 20 ARG CA C 20 59.026 59.135 -0.109 1
1 140 . 20 1 1 A 20 20 ARG CB C 20 29.861 29.902 -0.041 1
1 143 . 20 1 1 A 20 20 ARG N N 20 120.360 120.701 -0.341 1
1 144 . 20 1 1 A 21 21 VAL H H 21 7.601 7.323 0.278 1
1 145 . 20 1 1 A 21 21 VAL HA H 21 3.533 3.542 -0.009 1
1 153 . 20 1 1 A 21 21 VAL C C 21 179.541 177.908 1.633 1
1 154 . 20 1 1 A 21 21 VAL CA C 21 66.327 66.140 0.187 1
1 155 . 20 1 1 A 21 21 VAL CB C 21 31.509 31.442 0.067 1
1 158 . 20 1 1 A 21 21 VAL N N 21 119.151 119.022 0.129 1
1 159 . 20 1 1 A 22 22 LEU H H 22 7.898 8.214 -0.316 1
1 160 . 20 1 1 A 22 22 LEU HA H 22 3.513 3.803 -0.290 1
1 170 . 20 1 1 A 22 22 LEU C C 22 177.527 179.145 -1.618 1
1 171 . 20 1 1 A 22 22 LEU CA C 22 58.181 57.994 0.187 1
1 172 . 20 1 1 A 22 22 LEU CB C 22 38.573 40.610 -2.037 1
1 176 . 20 1 1 A 22 22 LEU N N 22 119.825 119.629 0.196 1
1 177 . 20 1 1 A 23 23 GLN H H 23 8.171 8.133 0.038 1
1 178 . 20 1 1 A 23 23 GLN HA H 23 3.925 3.954 -0.029 1
1 185 . 20 1 1 A 23 23 GLN C C 23 178.061 177.429 0.632 1
1 186 . 20 1 1 A 23 23 GLN CA C 23 58.832 58.948 -0.116 1
1 187 . 20 1 1 A 23 23 GLN CB C 23 28.769 28.648 0.121 1
1 189 . 20 1 1 A 23 23 GLN N N 23 118.186 118.143 0.043 1
1 191 . 20 1 1 A 24 24 ASP H H 24 8.446 7.928 0.518 1
1 192 . 20 1 1 A 24 24 ASP HA H 24 4.373 4.407 -0.034 1
1 195 . 20 1 1 A 24 24 ASP C C 24 179.347 178.620 0.727 1
1 196 . 20 1 1 A 24 24 ASP CA C 24 57.294 57.241 0.053 1
1 197 . 20 1 1 A 24 24 ASP CB C 24 40.035 40.799 -0.764 1
1 198 . 20 1 1 A 24 24 ASP N N 24 118.634 119.457 -0.823 1
1 199 . 20 1 1 A 25 25 PHE H H 25 8.224 8.362 -0.138 1
1 200 . 20 1 1 A 25 25 PHE HA H 25 4.062 4.281 -0.219 1
1 208 . 20 1 1 A 25 25 PHE C C 25 177.891 177.519 0.372 1
1 209 . 20 1 1 A 25 25 PHE CA C 25 61.546 61.150 0.396 1
1 210 . 20 1 1 A 25 25 PHE CB C 25 39.246 38.865 0.381 1
1 216 . 20 1 1 A 25 25 PHE N N 25 121.633 119.875 1.758 1
1 217 . 20 1 1 A 26 26 PHE H H 26 9.167 8.228 0.939 1
1 218 . 20 1 1 A 26 26 PHE HA H 26 4.302 4.575 -0.273 1
1 226 . 20 1 1 A 26 26 PHE C C 26 176.531 177.100 -0.569 1
1 227 . 20 1 1 A 26 26 PHE CA C 26 61.476 61.261 0.215 1
1 228 . 20 1 1 A 26 26 PHE CB C 26 39.471 38.942 0.529 1
1 234 . 20 1 1 A 26 26 PHE N N 26 121.265 119.929 1.336 1
1 235 . 20 1 1 A 27 27 ASP H H 27 8.654 8.570 0.084 1
1 236 . 20 1 1 A 27 27 ASP HA H 27 4.238 4.473 -0.235 1
1 239 . 20 1 1 A 27 27 ASP C C 27 177.429 177.530 -0.101 1
1 240 . 20 1 1 A 27 27 ASP CA C 27 56.717 57.743 -1.026 1
1 241 . 20 1 1 A 27 27 ASP CB C 27 40.406 41.851 -1.445 1
1 242 . 20 1 1 A 27 27 ASP N N 27 116.555 119.519 -2.964 1
1 243 . 20 1 1 A 28 28 ALA H H 28 7.262 7.223 0.039 1
1 244 . 20 1 1 A 28 28 ALA HA H 28 4.316 4.284 0.032 1
1 248 . 20 1 1 A 28 28 ALA C C 28 177.891 177.382 0.509 1
1 249 . 20 1 1 A 28 28 ALA CA C 28 52.839 53.630 -0.791 1
1 250 . 20 1 1 A 28 28 ALA CB C 28 19.698 19.870 -0.172 1
1 251 . 20 1 1 A 28 28 ALA N N 28 120.441 119.130 1.311 1
1 252 . 20 1 1 A 29 29 ASN H H 29 8.346 8.393 -0.047 1
1 253 . 20 1 1 A 29 29 ASN HA H 29 4.432 4.888 -0.456 1
1 258 . 20 1 1 A 29 29 ASN C C 29 172.259 174.301 -2.042 1
1 259 . 20 1 1 A 29 29 ASN CA C 29 52.943 52.393 0.550 1
1 260 . 20 1 1 A 29 29 ASN CB C 29 38.435 41.288 -2.853 1
1 261 . 20 1 1 A 29 29 ASN N N 29 118.701 114.555 4.146 1
1 263 . 20 1 1 A 30 30 ALA H H 30 8.177 8.130 0.047 1
1 264 . 20 1 1 A 30 30 ALA HA H 30 4.010 4.597 -0.587 1
1 268 . 20 1 1 A 30 30 ALA C C 30 176.798 176.630 0.168 1
1 269 . 20 1 1 A 30 30 ALA CA C 30 52.980 50.691 2.289 1
1 270 . 20 1 1 A 30 30 ALA CB C 30 19.233 19.198 0.035 1
1 271 . 20 1 1 A 30 30 ALA N N 30 124.112 127.998 -3.886 1
1 272 . 20 1 1 A 31 31 TYR H H 31 7.984 7.550 0.434 1
1 273 . 20 1 1 A 31 31 TYR HA H 31 4.672 5.143 -0.471 1
1 280 . 20 1 1 A 31 31 TYR C C 31 172.283 173.112 -0.829 1
1 281 . 20 1 1 A 31 31 TYR CA C 31 55.483 55.499 -0.016 1
1 282 . 20 1 1 A 31 31 TYR CB C 31 39.058 38.315 0.743 1
1 287 . 20 1 1 A 31 31 TYR N N 31 115.568 117.681 -2.113 1
1 288 . 20 1 1 A 32 32 PRO HA H 32 4.249 4.744 -0.495 1
1 295 . 20 1 1 A 32 32 PRO C C 32 176.871 175.783 1.088 1
1 296 . 20 1 1 A 32 32 PRO CA C 32 62.710 62.520 0.190 1
1 297 . 20 1 1 A 32 32 PRO CB C 32 29.959 32.986 -3.027 1
1 300 . 20 1 1 A 33 33 LYS H H 33 9.168 8.506 0.662 1
1 301 . 20 1 1 A 33 33 LYS HA H 33 4.426 4.858 -0.432 1
1 310 . 20 1 1 A 33 33 LYS C C 33 178.061 177.539 0.522 1
1 311 . 20 1 1 A 33 33 LYS CA C 33 55.236 54.935 0.301 1
1 312 . 20 1 1 A 33 33 LYS CB C 33 33.980 34.788 -0.808 1
1 316 . 20 1 1 A 33 33 LYS N N 33 121.451 120.061 1.390 1
1 317 . 20 1 1 A 34 34 ASP H H 34 9.017 9.107 -0.090 1
1 318 . 20 1 1 A 34 34 ASP HA H 34 4.566 4.218 0.348 1
1 321 . 20 1 1 A 34 34 ASP C C 34 179.007 177.783 1.224 1
1 322 . 20 1 1 A 34 34 ASP CA C 34 58.973 58.182 0.791 1
1 323 . 20 1 1 A 34 34 ASP CB C 34 39.834 41.138 -1.304 1
1 324 . 20 1 1 A 34 34 ASP N N 34 122.268 123.412 -1.144 1
1 325 . 20 1 1 A 35 35 ASP H H 35 8.955 8.334 0.621 1
1 326 . 20 1 1 A 35 35 ASP HA H 35 4.408 4.329 0.079 1
1 329 . 20 1 1 A 35 35 ASP C C 35 178.837 178.692 0.145 1
1 330 . 20 1 1 A 35 35 ASP CA C 35 56.611 58.030 -1.419 1
1 331 . 20 1 1 A 35 35 ASP CB C 35 39.609 41.944 -2.335 1
1 332 . 20 1 1 A 35 35 ASP N N 35 116.861 119.009 -2.148 1
1 333 . 20 1 1 A 36 36 GLU H H 36 7.208 7.881 -0.673 1
1 334 . 20 1 1 A 36 36 GLU HA H 36 4.051 4.045 0.006 1
1 339 . 20 1 1 A 36 36 GLU C C 36 179.226 179.146 0.080 1
1 340 . 20 1 1 A 36 36 GLU CA C 36 58.761 59.110 -0.349 1
1 341 . 20 1 1 A 36 36 GLU CB C 36 29.689 29.456 0.233 1
1 343 . 20 1 1 A 36 36 GLU N N 36 121.585 118.671 2.914 1
1 344 . 20 1 1 A 37 37 PHE H H 37 7.997 8.574 -0.577 1
1 345 . 20 1 1 A 37 37 PHE HA H 37 4.164 3.983 0.181 1
1 353 . 20 1 1 A 37 37 PHE C C 37 178.400 178.122 0.278 1
1 354 . 20 1 1 A 37 37 PHE CA C 37 61.915 61.350 0.565 1
1 355 . 20 1 1 A 37 37 PHE CB C 37 38.320 38.218 0.102 1
1 361 . 20 1 1 A 37 37 PHE N N 37 118.258 119.109 -0.851 1
1 362 . 20 1 1 A 38 38 GLU H H 38 7.806 8.277 -0.471 1
1 363 . 20 1 1 A 38 38 GLU HA H 38 4.027 3.946 0.081 1
1 368 . 20 1 1 A 38 38 GLU C C 38 178.764 179.281 -0.517 1
1 369 . 20 1 1 A 38 38 GLU CA C 38 59.325 60.026 -0.701 1
1 370 . 20 1 1 A 38 38 GLU CB C 38 29.083 29.319 -0.236 1
1 372 . 20 1 1 A 38 38 GLU N N 38 118.433 119.191 -0.758 1
1 373 . 20 1 1 A 39 39 GLN H H 39 7.845 8.139 -0.294 1
1 374 . 20 1 1 A 39 39 GLN HA H 39 4.149 3.883 0.266 1
1 381 . 20 1 1 A 39 39 GLN C C 39 179.541 178.882 0.659 1
1 382 . 20 1 1 A 39 39 GLN CA C 39 59.184 59.203 -0.019 1
1 383 . 20 1 1 A 39 39 GLN CB C 39 28.097 28.158 -0.061 1
1 385 . 20 1 1 A 39 39 GLN N N 39 119.859 118.744 1.115 1
1 387 . 20 1 1 A 40 40 LEU H H 40 8.130 7.531 0.599 1
1 388 . 20 1 1 A 40 40 LEU HA H 40 3.938 4.048 -0.110 1
1 398 . 20 1 1 A 40 40 LEU C C 40 178.158 179.057 -0.899 1
1 399 . 20 1 1 A 40 40 LEU CA C 40 58.092 57.666 0.426 1
1 400 . 20 1 1 A 40 40 LEU CB C 40 43.194 41.282 1.912 1
1 404 . 20 1 1 A 40 40 LEU N N 40 120.785 119.661 1.124 1
1 405 . 20 1 1 A 41 41 SER H H 41 8.241 8.347 -0.106 1
1 406 . 20 1 1 A 41 41 SER HA H 41 4.251 4.304 -0.053 1
1 409 . 20 1 1 A 41 41 SER C C 41 177.891 177.146 0.745 1
1 410 . 20 1 1 A 41 41 SER CA C 41 61.194 61.487 -0.293 1
1 411 . 20 1 1 A 41 41 SER CB C 41 63.501 62.416 1.085 1
1 412 . 20 1 1 A 41 41 SER N N 41 114.804 113.737 1.067 1
1 413 . 20 1 1 A 42 42 ASN H H 42 7.969 7.969 0.000 1
1 414 . 20 1 1 A 42 42 ASN HA H 42 4.515 4.638 -0.123 1
1 419 . 20 1 1 A 42 42 ASN C C 42 177.381 177.840 -0.459 1
1 420 . 20 1 1 A 42 42 ASN CA C 42 55.871 56.182 -0.311 1
1 421 . 20 1 1 A 42 42 ASN CB C 42 38.920 38.734 0.186 1
1 422 . 20 1 1 A 42 42 ASN N N 42 118.051 120.930 -2.879 1
1 424 . 20 1 1 A 43 43 LEU H H 43 8.169 7.677 0.492 1
1 425 . 20 1 1 A 43 43 LEU HA H 43 4.189 4.105 0.084 1
1 435 . 20 1 1 A 43 43 LEU C C 43 178.837 178.734 0.103 1
1 436 . 20 1 1 A 43 43 LEU CA C 43 57.845 58.216 -0.371 1
1 437 . 20 1 1 A 43 43 LEU CB C 43 43.382 42.151 1.231 1
1 441 . 20 1 1 A 43 43 LEU N N 43 120.419 121.477 -1.058 1
1 442 . 20 1 1 A 44 44 LEU H H 44 8.185 8.064 0.121 1
1 443 . 20 1 1 A 44 44 LEU HA H 44 4.445 4.287 0.158 1
1 453 . 20 1 1 A 44 44 LEU C C 44 176.677 176.531 0.146 1
1 454 . 20 1 1 A 44 44 LEU CA C 44 54.397 55.186 -0.789 1
1 455 . 20 1 1 A 44 44 LEU CB C 44 43.111 42.196 0.915 1
1 459 . 20 1 1 A 44 44 LEU N N 44 113.030 118.279 -5.249 1
1 460 . 20 1 1 A 45 45 ASN H H 45 8.100 8.249 -0.149 1
1 461 . 20 1 1 A 45 45 ASN HA H 45 4.440 4.511 -0.071 1
1 466 . 20 1 1 A 45 45 ASN C C 45 174.395 173.861 0.534 1
1 467 . 20 1 1 A 45 45 ASN CA C 45 54.073 54.533 -0.460 1
1 468 . 20 1 1 A 45 45 ASN CB C 45 36.970 37.627 -0.657 1
1 469 . 20 1 1 A 45 45 ASN N N 45 117.438 117.798 -0.360 1
1 471 . 20 1 1 A 46 46 LEU H H 46 7.476 7.799 -0.323 1
1 472 . 20 1 1 A 46 46 LEU HA H 46 4.980 4.817 0.163 1
1 482 . 20 1 1 A 46 46 LEU C C 46 173.691 174.697 -1.006 1
1 483 . 20 1 1 A 46 46 LEU CA C 46 51.032 51.906 -0.874 1
1 484 . 20 1 1 A 46 46 LEU CB C 46 46.668 42.851 3.817 1
1 488 . 20 1 1 A 46 46 LEU N N 46 117.604 119.759 -2.155 1
1 489 . 20 1 1 A 47 47 PRO HA H 47 4.515 4.695 -0.180 1
1 496 . 20 1 1 A 47 47 PRO C C 47 177.915 177.660 0.255 1
1 497 . 20 1 1 A 47 47 PRO CA C 47 62.392 62.888 -0.496 1
1 498 . 20 1 1 A 47 47 PRO CB C 47 32.592 31.825 0.767 1
1 501 . 20 1 1 A 48 48 THR H H 48 8.818 8.692 0.126 1
1 502 . 20 1 1 A 48 48 THR HA H 48 3.590 4.015 -0.425 1
1 507 . 20 1 1 A 48 48 THR C C 48 176.628 176.032 0.596 1
1 508 . 20 1 1 A 48 48 THR CA C 48 67.384 65.583 1.801 1
1 509 . 20 1 1 A 48 48 THR CB C 48 67.996 68.487 -0.491 1
1 511 . 20 1 1 A 48 48 THR N N 48 120.240 118.763 1.477 1
1 512 . 20 1 1 A 49 49 ARG H H 49 8.750 8.280 0.470 1
1 513 . 20 1 1 A 49 49 ARG HA H 49 3.899 4.085 -0.186 1
1 520 . 20 1 1 A 49 49 ARG C C 49 178.012 178.417 -0.405 1
1 521 . 20 1 1 A 49 49 ARG CA C 49 59.079 58.694 0.385 1
1 522 . 20 1 1 A 49 49 ARG CB C 49 29.474 30.179 -0.705 1
1 525 . 20 1 1 A 49 49 ARG N N 49 117.541 120.977 -3.436 1
1 526 . 20 1 1 A 50 50 VAL H H 50 6.994 8.154 -1.160 1
1 527 . 20 1 1 A 50 50 VAL HA H 50 3.885 3.760 0.125 1
1 535 . 20 1 1 A 50 50 VAL C C 50 178.400 178.293 0.107 1
1 536 . 20 1 1 A 50 50 VAL CA C 50 65.099 66.332 -1.233 1
1 537 . 20 1 1 A 50 50 VAL CB C 50 31.909 31.714 0.195 1
1 540 . 20 1 1 A 50 50 VAL N N 50 115.765 120.384 -4.619 1
1 541 . 20 1 1 A 51 51 ILE H H 51 7.358 8.103 -0.745 1
1 542 . 20 1 1 A 51 51 ILE HA H 51 3.814 3.872 -0.058 1
1 552 . 20 1 1 A 51 51 ILE C C 51 177.648 178.724 -1.076 1
1 553 . 20 1 1 A 51 51 ILE CA C 51 65.318 64.389 0.929 1
1 554 . 20 1 1 A 51 51 ILE CB C 51 38.017 36.587 1.430 1
1 558 . 20 1 1 A 51 51 ILE N N 51 122.170 120.183 1.987 1
1 559 . 20 1 1 A 52 52 VAL H H 52 8.401 8.604 -0.203 1
1 560 . 20 1 1 A 52 52 VAL HA H 52 3.290 3.714 -0.424 1
1 568 . 20 1 1 A 52 52 VAL C C 52 179.177 178.150 1.027 1
1 569 . 20 1 1 A 52 52 VAL CA C 52 67.021 66.954 0.067 1
1 570 . 20 1 1 A 52 52 VAL CB C 52 31.583 31.650 -0.067 1
1 573 . 20 1 1 A 52 52 VAL N N 52 121.321 121.327 -0.006 1
1 574 . 20 1 1 A 53 53 VAL H H 53 7.691 7.744 -0.053 1
1 575 . 20 1 1 A 53 53 VAL HA H 53 3.711 3.760 -0.049 1
1 583 . 20 1 1 A 53 53 VAL C C 53 177.648 178.280 -0.632 1
1 584 . 20 1 1 A 53 53 VAL CA C 53 66.531 66.458 0.073 1
1 585 . 20 1 1 A 53 53 VAL CB C 53 31.936 31.643 0.293 1
1 588 . 20 1 1 A 53 53 VAL N N 53 119.305 119.398 -0.093 1
1 589 . 20 1 1 A 54 54 TRP H H 54 8.127 8.012 0.115 1
1 590 . 20 1 1 A 54 54 TRP HA H 54 4.016 4.329 -0.313 1
1 599 . 20 1 1 A 54 54 TRP C C 54 180.100 178.469 1.631 1
1 600 . 20 1 1 A 54 54 TRP CA C 54 63.534 61.365 2.169 1
1 601 . 20 1 1 A 54 54 TRP CB C 54 28.747 29.496 -0.749 1
1 607 . 20 1 1 A 54 54 TRP N N 54 122.197 121.689 0.508 1
1 609 . 20 1 1 A 55 55 PHE H H 55 8.964 8.714 0.250 1
1 610 . 20 1 1 A 55 55 PHE HA H 55 3.843 4.492 -0.649 1
1 618 . 20 1 1 A 55 55 PHE C C 55 178.158 178.497 -0.339 1
1 619 . 20 1 1 A 55 55 PHE CA C 55 63.309 62.552 0.757 1
1 620 . 20 1 1 A 55 55 PHE CB C 55 39.818 38.800 1.018 1
1 626 . 20 1 1 A 55 55 PHE N N 55 119.663 118.771 0.892 1
1 627 . 20 1 1 A 56 56 GLN H H 56 8.412 8.843 -0.431 1
1 628 . 20 1 1 A 56 56 GLN HA H 56 3.984 4.017 -0.033 1
1 635 . 20 1 1 A 56 56 GLN C C 56 179.420 179.275 0.145 1
1 636 . 20 1 1 A 56 56 GLN CA C 56 59.678 59.261 0.417 1
1 637 . 20 1 1 A 56 56 GLN CB C 56 27.981 28.283 -0.302 1
1 639 . 20 1 1 A 56 56 GLN N N 56 118.932 117.799 1.133 1
1 641 . 20 1 1 A 57 57 ASN H H 57 8.358 7.854 0.504 1
1 642 . 20 1 1 A 57 57 ASN HA H 57 4.302 4.490 -0.188 1
1 647 . 20 1 1 A 57 57 ASN C C 57 177.308 177.588 -0.280 1
1 648 . 20 1 1 A 57 57 ASN CA C 57 55.836 56.088 -0.252 1
1 649 . 20 1 1 A 57 57 ASN CB C 57 38.123 38.446 -0.323 1
1 650 . 20 1 1 A 57 57 ASN N N 57 118.552 118.443 0.109 1
1 652 . 20 1 1 A 58 58 ALA H H 58 8.097 7.861 0.236 1
1 653 . 20 1 1 A 58 58 ALA HA H 58 3.280 3.474 -0.194 1
1 657 . 20 1 1 A 58 58 ALA C C 58 180.512 179.875 0.637 1
1 658 . 20 1 1 A 58 58 ALA CA C 58 54.711 54.475 0.236 1
1 659 . 20 1 1 A 58 58 ALA CB C 58 16.685 17.390 -0.705 1
1 660 . 20 1 1 A 58 58 ALA N N 58 125.426 121.873 3.553 1
1 661 . 20 1 1 A 59 59 ARG H H 59 8.104 7.482 0.622 1
1 662 . 20 1 1 A 59 59 ARG HA H 59 4.159 4.386 -0.227 1
1 669 . 20 1 1 A 59 59 ARG C C 59 178.570 179.052 -0.482 1
1 670 . 20 1 1 A 59 59 ARG CA C 59 59.916 59.702 0.214 1
1 671 . 20 1 1 A 59 59 ARG CB C 59 31.344 30.340 1.004 1
1 674 . 20 1 1 A 59 59 ARG N N 59 117.308 117.632 -0.324 1
1 675 . 20 1 1 A 60 60 GLN H H 60 7.532 7.962 -0.430 1
1 676 . 20 1 1 A 60 60 GLN HA H 60 4.118 4.049 0.069 1
1 683 . 20 1 1 A 60 60 GLN C C 60 178.036 179.009 -0.973 1
1 684 . 20 1 1 A 60 60 GLN CA C 60 58.021 58.789 -0.768 1
1 685 . 20 1 1 A 60 60 GLN CB C 60 28.460 28.459 0.001 1
1 687 . 20 1 1 A 60 60 GLN N N 60 118.195 118.686 -0.491 1
1 689 . 20 1 1 A 61 61 LYS H H 61 7.738 8.125 -0.387 1
1 690 . 20 1 1 A 61 61 LYS HA H 61 4.038 4.010 0.028 1
1 699 . 20 1 1 A 61 61 LYS C C 61 177.454 178.929 -1.475 1
1 700 . 20 1 1 A 61 61 LYS CA C 61 57.938 59.186 -1.248 1
1 701 . 20 1 1 A 61 61 LYS CB C 61 32.497 31.902 0.595 1
1 705 . 20 1 1 A 61 61 LYS N N 61 119.476 118.743 0.733 1
1 706 . 20 1 1 A 62 62 ALA H H 62 7.699 7.691 0.008 1
1 707 . 20 1 1 A 62 62 ALA HA H 62 4.265 4.131 0.134 1
1 711 . 20 1 1 A 62 62 ALA C C 62 177.818 178.555 -0.737 1
1 712 . 20 1 1 A 62 62 ALA CA C 62 52.945 54.975 -2.030 1
1 713 . 20 1 1 A 62 62 ALA CB C 62 18.904 18.373 0.531 1
1 714 . 20 1 1 A 62 62 ALA N N 62 121.322 122.015 -0.693 1
1 715 . 20 1 1 A 63 63 ARG H H 63 7.831 7.724 0.107 1
1 716 . 20 1 1 A 63 63 ARG HA H 63 4.237 4.336 -0.099 1
1 722 . 20 1 1 A 63 63 ARG C C 63 176.580 175.791 0.789 1
1 723 . 20 1 1 A 63 63 ARG CA C 63 56.717 56.605 0.112 1
1 724 . 20 1 1 A 63 63 ARG CB C 63 30.124 31.106 -0.982 1
1 727 . 20 1 1 A 63 63 ARG N N 63 118.592 117.359 1.233 1
1 728 . 20 1 1 A 64 64 LYS H H 64 8.213 8.878 -0.665 1
1 729 . 20 1 1 A 64 64 LYS HA H 64 4.365 5.055 -0.690 1
1 738 . 20 1 1 A 64 64 LYS C C 64 176.677 174.882 1.795 1
1 739 . 20 1 1 A 64 64 LYS CA C 64 56.329 54.442 1.887 1
1 740 . 20 1 1 A 64 64 LYS CB C 64 32.906 36.026 -3.120 1
1 744 . 20 1 1 A 64 64 LYS N N 64 121.456 120.714 0.742 1
1 745 . 20 1 1 A 65 65 SER H H 65 8.289 8.900 -0.611 1
1 746 . 20 1 1 A 65 65 SER HA H 65 4.510 4.756 -0.246 1
1 749 . 20 1 1 A 65 65 SER C C 65 174.492 173.256 1.236 1
1 750 . 20 1 1 A 65 65 SER CA C 65 58.303 56.691 1.612 1
1 751 . 20 1 1 A 65 65 SER CB C 65 64.052 63.912 0.140 1
1 752 . 20 1 1 A 65 65 SER N N 65 116.719 117.547 -0.828 1
1 753 . 20 1 1 A 66 66 GLY H H 66 8.242 8.204 0.038 1
1 754 . 20 1 1 A 66 66 GLY HA2 H 66 4.120 4.155 -0.035 1
1 755 . 20 1 1 A 66 66 GLY HA3 H 66 4.148 4.156 -0.008 1
1 756 . 20 1 1 A 66 66 GLY C C 66 171.798 172.232 -0.434 1
1 757 . 20 1 1 A 66 66 GLY CA C 66 44.687 44.526 0.161 1
1 758 . 20 1 1 A 66 66 GLY N N 66 110.632 113.605 -2.973 1
1 759 . 20 1 1 A 67 67 PRO HA H 67 4.458 4.596 -0.138 1
1 766 . 20 1 1 A 67 67 PRO C C 67 177.429 176.086 1.343 1
1 767 . 20 1 1 A 67 67 PRO CA C 67 63.309 62.627 0.682 1
1 768 . 20 1 1 A 67 67 PRO CB C 67 32.200 33.464 -1.264 1
1 771 . 20 1 1 A 68 68 SER H H 68 8.535 8.281 0.254 1
1 772 . 20 1 1 A 68 68 SER HA H 68 4.482 4.948 -0.466 1
1 775 . 20 1 1 A 68 68 SER C C 68 174.638 173.718 0.920 1
1 776 . 20 1 1 A 68 68 SER CA C 68 58.444 56.901 1.543 1
1 777 . 20 1 1 A 68 68 SER CB C 68 63.838 63.478 0.360 1
1 778 . 20 1 1 A 68 68 SER N N 68 116.359 113.402 2.957 1
1 779 . 20 1 1 A 69 69 SER H H 69 8.300 8.455 -0.155 1
1 780 . 20 1 1 A 69 69 SER HA H 69 4.477 4.550 -0.073 1
1 783 . 20 1 1 A 69 69 SER C C 69 173.934 175.157 -1.223 1
1 784 . 20 1 1 A 69 69 SER CA C 69 58.374 59.044 -0.670 1
1 785 . 20 1 1 A 69 69 SER CB C 69 64.134 62.835 1.299 1
1 786 . 20 1 1 A 69 69 SER N N 69 117.715 118.415 -0.700 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 60 0.981 1
2 1 1 1 "RMS(OBS, PRED)" CA 60 0.876 1
3 1 1 1 "RMS(OBS, PRED)" CB 59 1.287 1
4 1 1 1 "RMS(OBS, PRED)" H 56 0.484 1
5 1 1 1 "RMS(OBS, PRED)" HA 61 0.312 1
6 1 1 1 "RMS(OBS, PRED)" N 56 2.397 1
7 1 2 1 "RMS(OBS, PRED)" C 60 0.901 1
8 1 2 1 "RMS(OBS, PRED)" CA 60 0.898 1
9 1 2 1 "RMS(OBS, PRED)" CB 59 1.102 1
10 1 2 1 "RMS(OBS, PRED)" H 56 0.449 1
11 1 2 1 "RMS(OBS, PRED)" HA 61 0.280 1
12 1 2 1 "RMS(OBS, PRED)" N 56 2.392 1
13 1 3 1 "RMS(OBS, PRED)" C 60 1.022 1
14 1 3 1 "RMS(OBS, PRED)" CA 60 0.943 1
15 1 3 1 "RMS(OBS, PRED)" CB 59 1.121 1
16 1 3 1 "RMS(OBS, PRED)" H 56 0.483 1
17 1 3 1 "RMS(OBS, PRED)" HA 61 0.289 1
18 1 3 1 "RMS(OBS, PRED)" N 56 2.442 1
19 1 4 1 "RMS(OBS, PRED)" C 60 0.956 1
20 1 4 1 "RMS(OBS, PRED)" CA 60 1.037 1
21 1 4 1 "RMS(OBS, PRED)" CB 59 1.133 1
22 1 4 1 "RMS(OBS, PRED)" H 56 0.471 1
23 1 4 1 "RMS(OBS, PRED)" HA 61 0.277 1
24 1 4 1 "RMS(OBS, PRED)" N 56 2.345 1
25 1 5 1 "RMS(OBS, PRED)" C 60 1.034 1
26 1 5 1 "RMS(OBS, PRED)" CA 60 0.985 1
27 1 5 1 "RMS(OBS, PRED)" CB 59 1.055 1
28 1 5 1 "RMS(OBS, PRED)" H 56 0.457 1
29 1 5 1 "RMS(OBS, PRED)" HA 61 0.291 1
30 1 5 1 "RMS(OBS, PRED)" N 56 2.466 1
31 1 6 1 "RMS(OBS, PRED)" C 60 0.899 1
32 1 6 1 "RMS(OBS, PRED)" CA 60 0.861 1
33 1 6 1 "RMS(OBS, PRED)" CB 59 1.143 1
34 1 6 1 "RMS(OBS, PRED)" H 56 0.433 1
35 1 6 1 "RMS(OBS, PRED)" HA 61 0.266 1
36 1 6 1 "RMS(OBS, PRED)" N 56 2.387 1
37 1 7 1 "RMS(OBS, PRED)" C 60 0.999 1
38 1 7 1 "RMS(OBS, PRED)" CA 60 0.904 1
39 1 7 1 "RMS(OBS, PRED)" CB 59 1.408 1
40 1 7 1 "RMS(OBS, PRED)" H 56 0.470 1
41 1 7 1 "RMS(OBS, PRED)" HA 61 0.327 1
42 1 7 1 "RMS(OBS, PRED)" N 56 2.577 1
43 1 8 1 "RMS(OBS, PRED)" C 60 0.960 1
44 1 8 1 "RMS(OBS, PRED)" CA 60 0.779 1
45 1 8 1 "RMS(OBS, PRED)" CB 59 1.167 1
46 1 8 1 "RMS(OBS, PRED)" H 56 0.455 1
47 1 8 1 "RMS(OBS, PRED)" HA 61 0.268 1
48 1 8 1 "RMS(OBS, PRED)" N 56 2.561 1
49 1 9 1 "RMS(OBS, PRED)" C 60 0.944 1
50 1 9 1 "RMS(OBS, PRED)" CA 60 0.959 1
51 1 9 1 "RMS(OBS, PRED)" CB 59 1.065 1
52 1 9 1 "RMS(OBS, PRED)" H 56 0.462 1
53 1 9 1 "RMS(OBS, PRED)" HA 61 0.267 1
54 1 9 1 "RMS(OBS, PRED)" N 56 2.463 1
55 1 10 1 "RMS(OBS, PRED)" C 60 0.917 1
56 1 10 1 "RMS(OBS, PRED)" CA 60 0.780 1
57 1 10 1 "RMS(OBS, PRED)" CB 59 1.091 1
58 1 10 1 "RMS(OBS, PRED)" H 56 0.474 1
59 1 10 1 "RMS(OBS, PRED)" HA 61 0.288 1
60 1 10 1 "RMS(OBS, PRED)" N 56 2.517 1
61 1 11 1 "RMS(OBS, PRED)" C 60 0.938 1
62 1 11 1 "RMS(OBS, PRED)" CA 60 0.834 1
63 1 11 1 "RMS(OBS, PRED)" CB 59 1.199 1
64 1 11 1 "RMS(OBS, PRED)" H 56 0.459 1
65 1 11 1 "RMS(OBS, PRED)" HA 61 0.297 1
66 1 11 1 "RMS(OBS, PRED)" N 56 2.336 1
67 1 12 1 "RMS(OBS, PRED)" C 60 0.967 1
68 1 12 1 "RMS(OBS, PRED)" CA 60 1.095 1
69 1 12 1 "RMS(OBS, PRED)" CB 59 1.147 1
70 1 12 1 "RMS(OBS, PRED)" H 56 0.502 1
71 1 12 1 "RMS(OBS, PRED)" HA 61 0.260 1
72 1 12 1 "RMS(OBS, PRED)" N 56 2.812 1
73 1 13 1 "RMS(OBS, PRED)" C 60 0.970 1
74 1 13 1 "RMS(OBS, PRED)" CA 60 0.866 1
75 1 13 1 "RMS(OBS, PRED)" CB 59 1.117 1
76 1 13 1 "RMS(OBS, PRED)" H 56 0.448 1
77 1 13 1 "RMS(OBS, PRED)" HA 61 0.281 1
78 1 13 1 "RMS(OBS, PRED)" N 56 2.503 1
79 1 14 1 "RMS(OBS, PRED)" C 60 0.879 1
80 1 14 1 "RMS(OBS, PRED)" CA 60 1.127 1
81 1 14 1 "RMS(OBS, PRED)" CB 59 1.167 1
82 1 14 1 "RMS(OBS, PRED)" H 56 0.448 1
83 1 14 1 "RMS(OBS, PRED)" HA 61 0.283 1
84 1 14 1 "RMS(OBS, PRED)" N 56 2.308 1
85 1 15 1 "RMS(OBS, PRED)" C 60 0.911 1
86 1 15 1 "RMS(OBS, PRED)" CA 60 0.975 1
87 1 15 1 "RMS(OBS, PRED)" CB 59 1.040 1
88 1 15 1 "RMS(OBS, PRED)" H 56 0.465 1
89 1 15 1 "RMS(OBS, PRED)" HA 61 0.253 1
90 1 15 1 "RMS(OBS, PRED)" N 56 2.520 1
91 1 16 1 "RMS(OBS, PRED)" C 60 0.922 1
92 1 16 1 "RMS(OBS, PRED)" CA 60 0.906 1
93 1 16 1 "RMS(OBS, PRED)" CB 59 1.160 1
94 1 16 1 "RMS(OBS, PRED)" H 56 0.488 1
95 1 16 1 "RMS(OBS, PRED)" HA 61 0.280 1
96 1 16 1 "RMS(OBS, PRED)" N 56 2.566 1
97 1 17 1 "RMS(OBS, PRED)" C 60 0.964 1
98 1 17 1 "RMS(OBS, PRED)" CA 60 0.962 1
99 1 17 1 "RMS(OBS, PRED)" CB 59 1.117 1
100 1 17 1 "RMS(OBS, PRED)" H 56 0.436 1
101 1 17 1 "RMS(OBS, PRED)" HA 61 0.280 1
102 1 17 1 "RMS(OBS, PRED)" N 56 2.462 1
103 1 18 1 "RMS(OBS, PRED)" C 60 1.022 1
104 1 18 1 "RMS(OBS, PRED)" CA 60 1.065 1
105 1 18 1 "RMS(OBS, PRED)" CB 59 1.096 1
106 1 18 1 "RMS(OBS, PRED)" H 56 0.481 1
107 1 18 1 "RMS(OBS, PRED)" HA 61 0.268 1
108 1 18 1 "RMS(OBS, PRED)" N 56 2.544 1
109 1 19 1 "RMS(OBS, PRED)" C 60 0.936 1
110 1 19 1 "RMS(OBS, PRED)" CA 60 0.849 1
111 1 19 1 "RMS(OBS, PRED)" CB 59 1.275 1
112 1 19 1 "RMS(OBS, PRED)" H 56 0.424 1
113 1 19 1 "RMS(OBS, PRED)" HA 61 0.289 1
114 1 19 1 "RMS(OBS, PRED)" N 56 2.398 1
115 1 20 1 "RMS(OBS, PRED)" C 60 0.967 1
116 1 20 1 "RMS(OBS, PRED)" CA 60 0.900 1
117 1 20 1 "RMS(OBS, PRED)" CB 59 1.238 1
118 1 20 1 "RMS(OBS, PRED)" H 56 0.457 1
119 1 20 1 "RMS(OBS, PRED)" HA 61 0.296 1
120 1 20 1 "RMS(OBS, PRED)" N 56 2.342 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 10 10 SER HA H 10 4.461 4.691 -0.230 2
1 4 . 1 1 A 10 10 SER C C 10 174.492 173.673 0.819 2
1 5 . 1 1 A 10 10 SER CA C 10 58.479 58.010 0.469 2
1 6 . 1 1 A 10 10 SER CB C 10 63.932 63.884 0.048 2
1 7 . 1 1 A 11 11 ARG H H 11 8.318 8.533 -0.215 2
1 8 . 1 1 A 11 11 ARG HA H 11 4.391 4.535 -0.144 2
1 15 . 1 1 A 11 11 ARG C C 11 176.264 175.212 1.052 2
1 16 . 1 1 A 11 11 ARG CA C 11 56.118 56.044 0.074 2
1 17 . 1 1 A 11 11 ARG CB C 11 30.849 31.233 -0.384 2
1 20 . 1 1 A 11 11 ARG N N 11 122.795 125.269 -2.474 2
1 21 . 1 1 A 12 12 THR H H 12 8.159 8.394 -0.235 2
1 22 . 1 1 A 12 12 THR HA H 12 4.150 4.436 -0.286 2
1 27 . 1 1 A 12 12 THR C C 12 173.740 173.150 0.590 2
1 28 . 1 1 A 12 12 THR CA C 12 62.463 62.069 0.394 2
1 29 . 1 1 A 12 12 THR CB C 12 69.770 69.127 0.643 2
1 31 . 1 1 A 12 12 THR N N 12 117.261 117.485 -0.224 2
1 32 . 1 1 A 13 13 ARG H H 13 8.319 8.470 -0.151 2
1 33 . 1 1 A 13 13 ARG HA H 13 4.332 4.657 -0.325 2
1 40 . 1 1 A 13 13 ARG C C 13 175.560 175.126 0.434 2
1 41 . 1 1 A 13 13 ARG CA C 13 55.518 55.115 0.403 2
1 42 . 1 1 A 13 13 ARG CB C 13 30.763 31.896 -1.133 2
1 45 . 1 1 A 13 13 ARG N N 13 125.163 125.954 -0.791 2
1 46 . 1 1 A 14 14 PHE H H 14 8.195 8.924 -0.729 2
1 47 . 1 1 A 14 14 PHE HA H 14 4.952 4.937 0.015 2
1 55 . 1 1 A 14 14 PHE C C 14 176.993 174.904 2.089 2
1 56 . 1 1 A 14 14 PHE CA C 14 56.859 57.309 -0.450 2
1 57 . 1 1 A 14 14 PHE CB C 14 41.107 41.283 -0.176 2
1 63 . 1 1 A 14 14 PHE N N 14 121.558 123.963 -2.405 2
1 64 . 1 1 A 15 15 THR H H 15 8.999 8.489 0.510 2
1 65 . 1 1 A 15 15 THR HA H 15 4.491 4.877 -0.386 2
1 70 . 1 1 A 15 15 THR C C 15 174.856 175.280 -0.424 2
1 71 . 1 1 A 15 15 THR CA C 15 60.559 59.739 0.820 2
1 72 . 1 1 A 15 15 THR CB C 15 70.890 70.996 -0.106 2
1 74 . 1 1 A 15 15 THR N N 15 113.369 114.946 -1.577 2
1 75 . 1 1 A 16 16 ASP H H 16 8.906 9.235 -0.329 2
1 76 . 1 1 A 16 16 ASP HA H 16 4.333 4.276 0.057 2
1 79 . 1 1 A 16 16 ASP C C 16 178.764 177.942 0.822 2
1 80 . 1 1 A 16 16 ASP CA C 16 57.911 58.194 -0.283 2
1 81 . 1 1 A 16 16 ASP CB C 16 39.994 40.406 -0.412 2
1 82 . 1 1 A 16 16 ASP N N 16 120.884 126.778 -5.894 2
1 83 . 1 1 A 17 17 TYR H H 17 8.356 8.170 0.186 2
1 84 . 1 1 A 17 17 TYR HA H 17 4.211 4.104 0.107 2
1 91 . 1 1 A 17 17 TYR C C 17 176.264 177.941 -1.677 2
1 92 . 1 1 A 17 17 TYR CA C 17 61.045 61.774 -0.729 2
1 93 . 1 1 A 17 17 TYR CB C 17 38.666 38.748 -0.082 2
1 98 . 1 1 A 17 17 TYR N N 17 119.909 122.226 -2.317 2
1 99 . 1 1 A 18 18 GLN H H 18 7.582 8.246 -0.664 2
1 100 . 1 1 A 18 18 GLN HA H 18 3.482 3.630 -0.147 2
1 107 . 1 1 A 18 18 GLN C C 18 177.502 178.492 -0.990 2
1 108 . 1 1 A 18 18 GLN CA C 18 58.726 58.668 0.058 2
1 109 . 1 1 A 18 18 GLN CB C 18 27.717 28.397 -0.680 2
1 111 . 1 1 A 18 18 GLN N N 18 116.647 118.695 -2.048 2
1 113 . 1 1 A 19 19 LEU H H 19 8.170 8.677 -0.507 2
1 114 . 1 1 A 19 19 LEU HA H 19 3.508 3.669 -0.161 2
1 124 . 1 1 A 19 19 LEU C C 19 178.546 179.162 -0.616 2
1 125 . 1 1 A 19 19 LEU CA C 19 57.625 57.795 -0.170 2
1 126 . 1 1 A 19 19 LEU CB C 19 41.812 41.211 0.601 2
1 130 . 1 1 A 19 19 LEU N N 19 115.406 119.743 -4.337 2
1 131 . 1 1 A 20 20 ARG H H 20 7.792 8.106 -0.314 2
1 132 . 1 1 A 20 20 ARG HA H 20 3.917 3.949 -0.032 2
1 138 . 1 1 A 20 20 ARG C C 20 178.036 178.739 -0.703 2
1 139 . 1 1 A 20 20 ARG CA C 20 59.026 59.083 -0.057 2
1 140 . 1 1 A 20 20 ARG CB C 20 29.861 29.909 -0.048 2
1 143 . 1 1 A 20 20 ARG N N 20 120.360 120.449 -0.089 2
1 144 . 1 1 A 21 21 VAL H H 21 7.601 7.366 0.235 2
1 145 . 1 1 A 21 21 VAL HA H 21 3.533 3.580 -0.047 2
1 153 . 1 1 A 21 21 VAL C C 21 179.541 178.149 1.392 2
1 154 . 1 1 A 21 21 VAL CA C 21 66.327 66.147 0.180 2
1 155 . 1 1 A 21 21 VAL CB C 21 31.509 31.454 0.055 2
1 158 . 1 1 A 21 21 VAL N N 21 119.151 119.013 0.138 2
1 159 . 1 1 A 22 22 LEU H H 22 7.898 8.246 -0.348 2
1 160 . 1 1 A 22 22 LEU HA H 22 3.513 3.810 -0.297 2
1 170 . 1 1 A 22 22 LEU C C 22 177.527 179.030 -1.503 2
1 171 . 1 1 A 22 22 LEU CA C 22 58.181 58.008 0.173 2
1 172 . 1 1 A 22 22 LEU CB C 22 38.573 40.531 -1.958 2
1 176 . 1 1 A 22 22 LEU N N 22 119.825 119.710 0.115 2
1 177 . 1 1 A 23 23 GLN H H 23 8.171 8.279 -0.108 2
1 178 . 1 1 A 23 23 GLN HA H 23 3.925 3.961 -0.036 2
1 185 . 1 1 A 23 23 GLN C C 23 178.061 177.528 0.533 2
1 186 . 1 1 A 23 23 GLN CA C 23 58.832 58.947 -0.115 2
1 187 . 1 1 A 23 23 GLN CB C 23 28.769 28.593 0.176 2
1 189 . 1 1 A 23 23 GLN N N 23 118.186 118.199 -0.013 2
1 191 . 1 1 A 24 24 ASP H H 24 8.446 8.067 0.379 2
1 192 . 1 1 A 24 24 ASP HA H 24 4.373 4.426 -0.053 2
1 195 . 1 1 A 24 24 ASP C C 24 179.347 178.631 0.716 2
1 196 . 1 1 A 24 24 ASP CA C 24 57.294 57.246 0.048 2
1 197 . 1 1 A 24 24 ASP CB C 24 40.035 41.062 -1.027 2
1 198 . 1 1 A 24 24 ASP N N 24 118.634 119.539 -0.905 2
1 199 . 1 1 A 25 25 PHE H H 25 8.224 8.277 -0.053 2
1 200 . 1 1 A 25 25 PHE HA H 25 4.062 4.283 -0.221 2
1 208 . 1 1 A 25 25 PHE C C 25 177.891 177.610 0.281 2
1 209 . 1 1 A 25 25 PHE CA C 25 61.546 60.912 0.634 2
1 210 . 1 1 A 25 25 PHE CB C 25 39.246 39.108 0.138 2
1 216 . 1 1 A 25 25 PHE N N 25 121.633 119.929 1.704 2
1 217 . 1 1 A 26 26 PHE H H 26 9.167 8.168 0.999 2
1 218 . 1 1 A 26 26 PHE HA H 26 4.302 4.595 -0.293 2
1 226 . 1 1 A 26 26 PHE C C 26 176.531 177.004 -0.473 2
1 227 . 1 1 A 26 26 PHE CA C 26 61.476 61.381 0.095 2
1 228 . 1 1 A 26 26 PHE CB C 26 39.471 38.893 0.578 2
1 234 . 1 1 A 26 26 PHE N N 26 121.265 120.013 1.252 2
1 235 . 1 1 A 27 27 ASP H H 27 8.654 8.452 0.202 2
1 236 . 1 1 A 27 27 ASP HA H 27 4.238 4.489 -0.251 2
1 239 . 1 1 A 27 27 ASP C C 27 177.429 177.433 -0.004 2
1 240 . 1 1 A 27 27 ASP CA C 27 56.717 57.487 -0.770 2
1 241 . 1 1 A 27 27 ASP CB C 27 40.406 41.885 -1.479 2
1 242 . 1 1 A 27 27 ASP N N 27 116.555 119.401 -2.846 2
1 243 . 1 1 A 28 28 ALA H H 28 7.262 7.598 -0.336 2
1 244 . 1 1 A 28 28 ALA HA H 28 4.316 4.296 0.020 2
1 248 . 1 1 A 28 28 ALA C C 28 177.891 177.430 0.460 2
1 249 . 1 1 A 28 28 ALA CA C 28 52.839 53.430 -0.591 2
1 250 . 1 1 A 28 28 ALA CB C 28 19.698 19.922 -0.224 2
1 251 . 1 1 A 28 28 ALA N N 28 120.441 119.232 1.209 2
1 252 . 1 1 A 29 29 ASN H H 29 8.346 8.345 0.001 2
1 253 . 1 1 A 29 29 ASN HA H 29 4.432 4.971 -0.539 2
1 258 . 1 1 A 29 29 ASN C C 29 172.259 174.407 -2.148 2
1 259 . 1 1 A 29 29 ASN CA C 29 52.943 52.457 0.486 2
1 260 . 1 1 A 29 29 ASN CB C 29 38.435 41.330 -2.895 2
1 261 . 1 1 A 29 29 ASN N N 29 118.701 114.770 3.931 2
1 263 . 1 1 A 30 30 ALA H H 30 8.177 8.455 -0.278 2
1 264 . 1 1 A 30 30 ALA HA H 30 4.010 4.712 -0.702 2
1 268 . 1 1 A 30 30 ALA C C 30 176.798 176.757 0.041 2
1 269 . 1 1 A 30 30 ALA CA C 30 52.980 50.927 2.053 2
1 270 . 1 1 A 30 30 ALA CB C 30 19.233 19.421 -0.187 2
1 271 . 1 1 A 30 30 ALA N N 30 124.112 128.058 -3.946 2
1 272 . 1 1 A 31 31 TYR H H 31 7.984 7.736 0.248 2
1 273 . 1 1 A 31 31 TYR HA H 31 4.672 5.155 -0.483 2
1 280 . 1 1 A 31 31 TYR C C 31 172.283 173.140 -0.857 2
1 281 . 1 1 A 31 31 TYR CA C 31 55.483 55.556 -0.073 2
1 282 . 1 1 A 31 31 TYR CB C 31 39.058 38.327 0.731 2
1 287 . 1 1 A 31 31 TYR N N 31 115.568 117.721 -2.153 2
1 288 . 1 1 A 32 32 PRO HA H 32 4.249 4.704 -0.455 2
1 295 . 1 1 A 32 32 PRO C C 32 176.871 176.473 0.398 2
1 296 . 1 1 A 32 32 PRO CA C 32 62.710 62.830 -0.120 2
1 297 . 1 1 A 32 32 PRO CB C 32 29.959 32.621 -2.662 2
1 300 . 1 1 A 33 33 LYS H H 33 9.168 8.672 0.496 2
1 301 . 1 1 A 33 33 LYS HA H 33 4.426 4.817 -0.391 2
1 310 . 1 1 A 33 33 LYS C C 33 178.061 177.894 0.167 2
1 311 . 1 1 A 33 33 LYS CA C 33 55.236 55.006 0.230 2
1 312 . 1 1 A 33 33 LYS CB C 33 33.980 34.127 -0.147 2
1 316 . 1 1 A 33 33 LYS N N 33 121.451 120.986 0.465 2
1 317 . 1 1 A 34 34 ASP H H 34 9.017 8.987 0.030 2
1 318 . 1 1 A 34 34 ASP HA H 34 4.566 4.294 0.272 2
1 321 . 1 1 A 34 34 ASP C C 34 179.007 177.939 1.068 2
1 322 . 1 1 A 34 34 ASP CA C 34 58.973 57.793 1.180 2
1 323 . 1 1 A 34 34 ASP CB C 34 39.834 40.469 -0.635 2
1 324 . 1 1 A 34 34 ASP N N 34 122.268 122.272 -0.004 2
1 325 . 1 1 A 35 35 ASP H H 35 8.955 8.316 0.639 2
1 326 . 1 1 A 35 35 ASP HA H 35 4.408 4.394 0.015 2
1 329 . 1 1 A 35 35 ASP C C 35 178.837 178.694 0.143 2
1 330 . 1 1 A 35 35 ASP CA C 35 56.611 57.981 -1.370 2
1 331 . 1 1 A 35 35 ASP CB C 35 39.609 41.660 -2.051 2
1 332 . 1 1 A 35 35 ASP N N 35 116.861 119.300 -2.439 2
1 333 . 1 1 A 36 36 GLU H H 36 7.208 7.966 -0.758 2
1 334 . 1 1 A 36 36 GLU HA H 36 4.051 4.045 0.006 2
1 339 . 1 1 A 36 36 GLU C C 36 179.226 179.100 0.126 2
1 340 . 1 1 A 36 36 GLU CA C 36 58.761 59.132 -0.371 2
1 341 . 1 1 A 36 36 GLU CB C 36 29.689 29.376 0.313 2
1 343 . 1 1 A 36 36 GLU N N 36 121.585 118.648 2.937 2
1 344 . 1 1 A 37 37 PHE H H 37 7.997 8.522 -0.525 2
1 345 . 1 1 A 37 37 PHE HA H 37 4.164 3.977 0.187 2
1 353 . 1 1 A 37 37 PHE C C 37 178.400 178.142 0.258 2
1 354 . 1 1 A 37 37 PHE CA C 37 61.915 61.292 0.623 2
1 355 . 1 1 A 37 37 PHE CB C 37 38.320 38.175 0.145 2
1 361 . 1 1 A 37 37 PHE N N 37 118.258 119.101 -0.843 2
1 362 . 1 1 A 38 38 GLU H H 38 7.806 8.314 -0.508 2
1 363 . 1 1 A 38 38 GLU HA H 38 4.027 3.963 0.064 2
1 368 . 1 1 A 38 38 GLU C C 38 178.764 179.223 -0.459 2
1 369 . 1 1 A 38 38 GLU CA C 38 59.325 60.038 -0.713 2
1 370 . 1 1 A 38 38 GLU CB C 38 29.083 29.303 -0.220 2
1 372 . 1 1 A 38 38 GLU N N 38 118.433 119.155 -0.722 2
1 373 . 1 1 A 39 39 GLN H H 39 7.845 8.179 -0.334 2
1 374 . 1 1 A 39 39 GLN HA H 39 4.149 3.866 0.283 2
1 381 . 1 1 A 39 39 GLN C C 39 179.541 178.868 0.673 2
1 382 . 1 1 A 39 39 GLN CA C 39 59.184 59.140 0.044 2
1 383 . 1 1 A 39 39 GLN CB C 39 28.097 28.134 -0.037 2
1 385 . 1 1 A 39 39 GLN N N 39 119.859 118.857 1.002 2
1 387 . 1 1 A 40 40 LEU H H 40 8.130 7.489 0.641 2
1 388 . 1 1 A 40 40 LEU HA H 40 3.938 4.027 -0.089 2
1 398 . 1 1 A 40 40 LEU C C 40 178.158 179.096 -0.938 2
1 399 . 1 1 A 40 40 LEU CA C 40 58.092 57.582 0.510 2
1 400 . 1 1 A 40 40 LEU CB C 40 43.194 41.192 2.002 2
1 404 . 1 1 A 40 40 LEU N N 40 120.785 119.829 0.956 2
1 405 . 1 1 A 41 41 SER H H 41 8.241 8.353 -0.112 2
1 406 . 1 1 A 41 41 SER HA H 41 4.251 4.239 0.012 2
1 409 . 1 1 A 41 41 SER C C 41 177.891 177.118 0.773 2
1 410 . 1 1 A 41 41 SER CA C 41 61.194 61.450 -0.256 2
1 411 . 1 1 A 41 41 SER CB C 41 63.501 62.514 0.987 2
1 412 . 1 1 A 41 41 SER N N 41 114.804 113.731 1.073 2
1 413 . 1 1 A 42 42 ASN H H 42 7.969 8.033 -0.064 2
1 414 . 1 1 A 42 42 ASN HA H 42 4.515 4.621 -0.106 2
1 419 . 1 1 A 42 42 ASN C C 42 177.381 177.917 -0.536 2
1 420 . 1 1 A 42 42 ASN CA C 42 55.871 56.239 -0.368 2
1 421 . 1 1 A 42 42 ASN CB C 42 38.920 38.682 0.238 2
1 422 . 1 1 A 42 42 ASN N N 42 118.051 120.728 -2.677 2
1 424 . 1 1 A 43 43 LEU H H 43 8.169 7.611 0.558 2
1 425 . 1 1 A 43 43 LEU HA H 43 4.189 4.104 0.085 2
1 435 . 1 1 A 43 43 LEU C C 43 178.837 178.776 0.061 2
1 436 . 1 1 A 43 43 LEU CA C 43 57.845 58.170 -0.325 2
1 437 . 1 1 A 43 43 LEU CB C 43 43.382 42.094 1.288 2
1 441 . 1 1 A 43 43 LEU N N 43 120.419 121.374 -0.955 2
1 442 . 1 1 A 44 44 LEU H H 44 8.185 8.019 0.166 2
1 443 . 1 1 A 44 44 LEU HA H 44 4.445 4.183 0.262 2
1 453 . 1 1 A 44 44 LEU C C 44 176.677 176.169 0.508 2
1 454 . 1 1 A 44 44 LEU CA C 44 54.397 55.044 -0.647 2
1 455 . 1 1 A 44 44 LEU CB C 44 43.111 42.085 1.026 2
1 459 . 1 1 A 44 44 LEU N N 44 113.030 118.258 -5.228 2
1 460 . 1 1 A 45 45 ASN H H 45 8.100 8.103 -0.003 2
1 461 . 1 1 A 45 45 ASN HA H 45 4.440 4.528 -0.088 2
1 466 . 1 1 A 45 45 ASN C C 45 174.395 173.777 0.618 2
1 467 . 1 1 A 45 45 ASN CA C 45 54.073 54.480 -0.407 2
1 468 . 1 1 A 45 45 ASN CB C 45 36.970 37.107 -0.137 2
1 469 . 1 1 A 45 45 ASN N N 45 117.438 116.308 1.130 2
1 471 . 1 1 A 46 46 LEU H H 46 7.476 7.579 -0.103 2
1 472 . 1 1 A 46 46 LEU HA H 46 4.980 4.802 0.178 2
1 482 . 1 1 A 46 46 LEU C C 46 173.691 174.647 -0.956 2
1 483 . 1 1 A 46 46 LEU CA C 46 51.032 51.768 -0.736 2
1 484 . 1 1 A 46 46 LEU CB C 46 46.668 43.492 3.176 2
1 488 . 1 1 A 46 46 LEU N N 46 117.604 119.477 -1.873 2
1 489 . 1 1 A 47 47 PRO HA H 47 4.515 4.678 -0.163 2
1 496 . 1 1 A 47 47 PRO C C 47 177.915 177.632 0.283 2
1 497 . 1 1 A 47 47 PRO CA C 47 62.392 62.887 -0.495 2
1 498 . 1 1 A 47 47 PRO CB C 47 32.592 31.841 0.751 2
1 501 . 1 1 A 48 48 THR H H 48 8.818 8.677 0.141 2
1 502 . 1 1 A 48 48 THR HA H 48 3.590 3.994 -0.404 2
1 507 . 1 1 A 48 48 THR C C 48 176.628 175.944 0.684 2
1 508 . 1 1 A 48 48 THR CA C 48 67.384 65.498 1.886 2
1 509 . 1 1 A 48 48 THR CB C 48 67.996 68.443 -0.447 2
1 511 . 1 1 A 48 48 THR N N 48 120.240 118.630 1.609 2
1 512 . 1 1 A 49 49 ARG H H 49 8.750 8.283 0.467 2
1 513 . 1 1 A 49 49 ARG HA H 49 3.899 4.062 -0.163 2
1 520 . 1 1 A 49 49 ARG C C 49 178.012 178.370 -0.358 2
1 521 . 1 1 A 49 49 ARG CA C 49 59.079 58.639 0.440 2
1 522 . 1 1 A 49 49 ARG CB C 49 29.474 30.140 -0.666 2
1 525 . 1 1 A 49 49 ARG N N 49 117.541 120.983 -3.442 2
1 526 . 1 1 A 50 50 VAL H H 50 6.994 8.103 -1.109 2
1 527 . 1 1 A 50 50 VAL HA H 50 3.885 3.763 0.122 2
1 535 . 1 1 A 50 50 VAL C C 50 178.400 178.421 -0.021 2
1 536 . 1 1 A 50 50 VAL CA C 50 65.099 66.218 -1.119 2
1 537 . 1 1 A 50 50 VAL CB C 50 31.909 31.693 0.216 2
1 540 . 1 1 A 50 50 VAL N N 50 115.765 120.324 -4.559 2
1 541 . 1 1 A 51 51 ILE H H 51 7.358 8.025 -0.667 2
1 542 . 1 1 A 51 51 ILE HA H 51 3.814 3.881 -0.067 2
1 552 . 1 1 A 51 51 ILE C C 51 177.648 178.914 -1.266 2
1 553 . 1 1 A 51 51 ILE CA C 51 65.318 64.236 1.082 2
1 554 . 1 1 A 51 51 ILE CB C 51 38.017 36.537 1.480 2
1 558 . 1 1 A 51 51 ILE N N 51 122.170 120.151 2.019 2
1 559 . 1 1 A 52 52 VAL H H 52 8.401 8.563 -0.162 2
1 560 . 1 1 A 52 52 VAL HA H 52 3.290 3.685 -0.395 2
1 568 . 1 1 A 52 52 VAL C C 52 179.177 178.090 1.087 2
1 569 . 1 1 A 52 52 VAL CA C 52 67.021 66.871 0.150 2
1 570 . 1 1 A 52 52 VAL CB C 52 31.583 31.612 -0.029 2
1 573 . 1 1 A 52 52 VAL N N 52 121.321 121.639 -0.318 2
1 574 . 1 1 A 53 53 VAL H H 53 7.691 7.703 -0.012 2
1 575 . 1 1 A 53 53 VAL HA H 53 3.711 3.767 -0.056 2
1 583 . 1 1 A 53 53 VAL C C 53 177.648 178.266 -0.618 2
1 584 . 1 1 A 53 53 VAL CA C 53 66.531 66.399 0.132 2
1 585 . 1 1 A 53 53 VAL CB C 53 31.936 31.625 0.311 2
1 588 . 1 1 A 53 53 VAL N N 53 119.305 119.309 -0.004 2
1 589 . 1 1 A 54 54 TRP H H 54 8.127 7.925 0.202 2
1 590 . 1 1 A 54 54 TRP HA H 54 4.016 4.306 -0.290 2
1 599 . 1 1 A 54 54 TRP C C 54 180.100 178.394 1.706 2
1 600 . 1 1 A 54 54 TRP CA C 54 63.534 61.364 2.170 2
1 601 . 1 1 A 54 54 TRP CB C 54 28.747 29.578 -0.831 2
1 607 . 1 1 A 54 54 TRP N N 54 122.197 121.665 0.532 2
1 609 . 1 1 A 55 55 PHE H H 55 8.964 8.695 0.269 2
1 610 . 1 1 A 55 55 PHE HA H 55 3.843 4.477 -0.634 2
1 618 . 1 1 A 55 55 PHE C C 55 178.158 178.464 -0.306 2
1 619 . 1 1 A 55 55 PHE CA C 55 63.309 62.558 0.751 2
1 620 . 1 1 A 55 55 PHE CB C 55 39.818 39.009 0.809 2
1 626 . 1 1 A 55 55 PHE N N 55 119.663 118.643 1.020 2
1 627 . 1 1 A 56 56 GLN H H 56 8.412 8.799 -0.387 2
1 628 . 1 1 A 56 56 GLN HA H 56 3.984 3.958 0.026 2
1 635 . 1 1 A 56 56 GLN C C 56 179.420 179.139 0.281 2
1 636 . 1 1 A 56 56 GLN CA C 56 59.678 59.235 0.443 2
1 637 . 1 1 A 56 56 GLN CB C 56 27.981 28.292 -0.311 2
1 639 . 1 1 A 56 56 GLN N N 56 118.932 117.812 1.120 2
1 641 . 1 1 A 57 57 ASN H H 57 8.358 7.860 0.498 2
1 642 . 1 1 A 57 57 ASN HA H 57 4.302 4.508 -0.205 2
1 647 . 1 1 A 57 57 ASN C C 57 177.308 177.604 -0.296 2
1 648 . 1 1 A 57 57 ASN CA C 57 55.836 56.089 -0.253 2
1 649 . 1 1 A 57 57 ASN CB C 57 38.123 38.443 -0.320 2
1 650 . 1 1 A 57 57 ASN N N 57 118.552 118.446 0.106 2
1 652 . 1 1 A 58 58 ALA H H 58 8.097 7.781 0.316 2
1 653 . 1 1 A 58 58 ALA HA H 58 3.280 3.484 -0.204 2
1 657 . 1 1 A 58 58 ALA C C 58 180.512 179.883 0.629 2
1 658 . 1 1 A 58 58 ALA CA C 58 54.711 54.604 0.107 2
1 659 . 1 1 A 58 58 ALA CB C 58 16.685 17.394 -0.709 2
1 660 . 1 1 A 58 58 ALA N N 58 125.426 121.847 3.579 2
1 661 . 1 1 A 59 59 ARG H H 59 8.104 7.593 0.511 2
1 662 . 1 1 A 59 59 ARG HA H 59 4.159 4.345 -0.186 2
1 669 . 1 1 A 59 59 ARG C C 59 178.570 179.051 -0.481 2
1 670 . 1 1 A 59 59 ARG CA C 59 59.916 59.650 0.266 2
1 671 . 1 1 A 59 59 ARG CB C 59 31.344 30.163 1.181 2
1 674 . 1 1 A 59 59 ARG N N 59 117.308 117.450 -0.142 2
1 675 . 1 1 A 60 60 GLN H H 60 7.532 7.984 -0.452 2
1 676 . 1 1 A 60 60 GLN HA H 60 4.118 4.056 0.062 2
1 683 . 1 1 A 60 60 GLN C C 60 178.036 178.593 -0.557 2
1 684 . 1 1 A 60 60 GLN CA C 60 58.021 58.731 -0.710 2
1 685 . 1 1 A 60 60 GLN CB C 60 28.460 28.175 0.285 2
1 687 . 1 1 A 60 60 GLN N N 60 118.195 118.497 -0.302 2
1 689 . 1 1 A 61 61 LYS H H 61 7.738 8.113 -0.375 2
1 690 . 1 1 A 61 61 LYS HA H 61 4.038 3.999 0.039 2
1 699 . 1 1 A 61 61 LYS C C 61 177.454 179.085 -1.631 2
1 700 . 1 1 A 61 61 LYS CA C 61 57.938 59.158 -1.220 2
1 701 . 1 1 A 61 61 LYS CB C 61 32.497 32.049 0.448 2
1 705 . 1 1 A 61 61 LYS N N 61 119.476 119.034 0.442 2
1 706 . 1 1 A 62 62 ALA H H 62 7.699 7.945 -0.246 2
1 707 . 1 1 A 62 62 ALA HA H 62 4.265 4.109 0.156 2
1 711 . 1 1 A 62 62 ALA C C 62 177.818 178.695 -0.877 2
1 712 . 1 1 A 62 62 ALA CA C 62 52.945 55.037 -2.092 2
1 713 . 1 1 A 62 62 ALA CB C 62 18.904 18.370 0.534 2
1 714 . 1 1 A 62 62 ALA N N 62 121.322 121.491 -0.169 2
1 715 . 1 1 A 63 63 ARG H H 63 7.831 7.608 0.223 2
1 716 . 1 1 A 63 63 ARG HA H 63 4.237 4.270 -0.033 2
1 722 . 1 1 A 63 63 ARG C C 63 176.580 176.395 0.185 2
1 723 . 1 1 A 63 63 ARG CA C 63 56.717 57.047 -0.330 2
1 724 . 1 1 A 63 63 ARG CB C 63 30.124 30.688 -0.564 2
1 727 . 1 1 A 63 63 ARG N N 63 118.592 117.493 1.099 2
1 728 . 1 1 A 64 64 LYS H H 64 8.213 8.494 -0.281 2
1 729 . 1 1 A 64 64 LYS HA H 64 4.365 4.460 -0.095 2
1 738 . 1 1 A 64 64 LYS C C 64 176.677 175.893 0.784 2
1 739 . 1 1 A 64 64 LYS CA C 64 56.329 56.416 -0.087 2
1 740 . 1 1 A 64 64 LYS CB C 64 32.906 33.240 -0.334 2
1 744 . 1 1 A 64 64 LYS N N 64 121.456 122.669 -1.213 2
1 745 . 1 1 A 65 65 SER H H 65 8.289 8.447 -0.158 2
1 746 . 1 1 A 65 65 SER HA H 65 4.510 4.834 -0.324 2
1 749 . 1 1 A 65 65 SER C C 65 174.492 173.875 0.618 2
1 750 . 1 1 A 65 65 SER CA C 65 58.303 57.876 0.427 2
1 751 . 1 1 A 65 65 SER CB C 65 64.052 64.764 -0.712 2
1 752 . 1 1 A 65 65 SER N N 65 116.719 116.133 0.586 2
1 753 . 1 1 A 66 66 GLY H H 66 8.242 8.304 -0.062 2
1 754 . 1 1 A 66 66 GLY HA2 H 66 4.120 4.130 -0.010 2
1 755 . 1 1 A 66 66 GLY HA3 H 66 4.148 4.131 0.017 2
1 756 . 1 1 A 66 66 GLY C C 66 171.798 173.277 -1.479 2
1 757 . 1 1 A 66 66 GLY CA C 66 44.687 45.060 -0.373 2
1 758 . 1 1 A 66 66 GLY N N 66 110.632 110.653 -0.021 2
1 759 . 1 1 A 67 67 PRO HA H 67 4.458 4.593 -0.135 2
1 766 . 1 1 A 67 67 PRO C C 67 177.429 176.388 1.041 2
1 767 . 1 1 A 67 67 PRO CA C 67 63.309 63.157 0.152 2
1 768 . 1 1 A 67 67 PRO CB C 67 32.200 31.668 0.532 2
1 771 . 1 1 A 68 68 SER H H 68 8.535 8.230 0.305 2
1 772 . 1 1 A 68 68 SER HA H 68 4.482 4.626 -0.144 2
1 775 . 1 1 A 68 68 SER C C 68 174.638 173.734 0.904 2
1 776 . 1 1 A 68 68 SER CA C 68 58.444 58.074 0.370 2
1 777 . 1 1 A 68 68 SER CB C 68 63.838 63.916 -0.078 2
1 778 . 1 1 A 68 68 SER N N 68 116.359 116.118 0.241 2
1 779 . 1 1 A 69 69 SER H H 69 8.300 8.431 -0.131 2
1 780 . 1 1 A 69 69 SER HA H 69 4.477 4.670 -0.193 2
1 783 . 1 1 A 69 69 SER C C 69 173.934 174.377 -0.443 2
1 784 . 1 1 A 69 69 SER CA C 69 58.374 58.308 0.066 2
1 785 . 1 1 A 69 69 SER CB C 69 64.134 64.445 -0.311 2
1 786 . 1 1 A 69 69 SER N N 69 117.715 119.092 -1.377 2
stop_
save_