data_10207_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10207
_Entry.PDB_ID 2EOW
_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 8 8 THR CA C 8 61.936 62.796 -0.860 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.334 4.540 -0.206 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.790 69.382 0.408 1
1 9 . 1 1 1 A 9 9 GLY CA C 9 45.303 45.559 -0.256 1
1 10 . 1 1 1 A 9 9 GLY HA2 H 9 3.975 4.214 -0.239 1
1 11 . 1 1 1 A 9 9 GLY HA3 H 9 3.975 4.219 -0.244 1
1 12 . 1 1 1 A 9 9 GLY C C 9 174.030 172.817 1.213 1
1 13 . 1 1 1 A 10 10 GLU N N 10 120.522 121.547 -1.025 1
1 14 . 1 1 1 A 10 10 GLU H H 10 8.138 8.581 -0.443 1
1 15 . 1 1 1 A 10 10 GLU CA C 10 56.348 55.947 0.401 1
1 16 . 1 1 1 A 10 10 GLU HA H 10 4.254 4.681 -0.427 1
1 17 . 1 1 1 A 10 10 GLU CB C 10 30.590 30.610 -0.020 1
1 23 . 1 1 1 A 10 10 GLU C C 10 176.309 175.656 0.653 1
1 24 . 1 1 1 A 11 11 LYS N N 11 123.786 120.518 3.268 1
1 25 . 1 1 1 A 11 11 LYS H H 11 8.422 8.495 -0.073 1
1 26 . 1 1 1 A 11 11 LYS CA C 11 54.092 54.025 0.067 1
1 27 . 1 1 1 A 11 11 LYS HA H 11 4.614 4.776 -0.162 1
1 28 . 1 1 1 A 11 11 LYS CB C 11 32.512 32.362 0.150 1
1 40 . 1 1 1 A 11 11 LYS C C 11 174.485 176.255 -1.770 1
1 41 . 1 1 1 A 12 12 PRO CA C 12 63.537 64.964 -1.427 1
1 42 . 1 1 1 A 12 12 PRO HA H 12 4.222 4.424 -0.202 1
1 43 . 1 1 1 A 12 12 PRO CB C 12 32.294 31.926 0.368 1
1 52 . 1 1 1 A 12 12 PRO C C 12 176.522 175.959 0.563 1
1 53 . 1 1 1 A 13 13 TYR N N 13 118.425 118.334 0.091 1
1 54 . 1 1 1 A 13 13 TYR H H 13 7.747 7.419 0.328 1
1 55 . 1 1 1 A 13 13 TYR CA C 13 57.492 57.178 0.314 1
1 56 . 1 1 1 A 13 13 TYR HA H 13 4.643 5.208 -0.565 1
1 57 . 1 1 1 A 13 13 TYR CB C 13 38.298 41.437 -3.139 1
1 68 . 1 1 1 A 13 13 TYR C C 13 174.436 174.609 -0.173 1
1 69 . 1 1 1 A 14 14 LYS N N 14 125.064 123.097 1.967 1
1 70 . 1 1 1 A 14 14 LYS H H 14 8.580 9.113 -0.533 1
1 71 . 1 1 1 A 14 14 LYS CA C 14 55.150 54.682 0.468 1
1 72 . 1 1 1 A 14 14 LYS HA H 14 4.934 5.282 -0.348 1
1 73 . 1 1 1 A 14 14 LYS CB C 14 35.364 36.252 -0.888 1
1 85 . 1 1 1 A 14 14 LYS C C 14 175.164 175.466 -0.302 1
1 86 . 1 1 1 A 15 15 CYS N N 15 126.356 125.574 0.782 1
1 87 . 1 1 1 A 15 15 CYS H H 15 9.216 9.419 -0.203 1
1 88 . 1 1 1 A 15 15 CYS CA C 15 59.505 59.087 0.418 1
1 89 . 1 1 1 A 15 15 CYS HA H 15 4.499 4.781 -0.282 1
1 90 . 1 1 1 A 15 15 CYS CB C 15 29.802 28.288 1.514 1
1 93 . 1 1 1 A 15 15 CYS C C 15 177.060 176.372 0.688 1
1 94 . 1 1 1 A 16 16 ASN N N 16 130.128 123.427 6.701 1
1 95 . 1 1 1 A 16 16 ASN H H 16 9.375 9.035 0.340 1
1 96 . 1 1 1 A 16 16 ASN CA C 16 55.567 53.124 2.443 1
1 97 . 1 1 1 A 16 16 ASN HA H 16 4.526 4.682 -0.156 1
1 98 . 1 1 1 A 16 16 ASN CB C 16 38.377 37.722 0.655 1
1 104 . 1 1 1 A 16 16 ASN C C 16 175.395 174.474 0.921 1
1 105 . 1 1 1 A 17 17 GLU N N 17 121.112 117.747 3.365 1
1 106 . 1 1 1 A 17 17 GLU H H 17 8.801 8.024 0.777 1
1 107 . 1 1 1 A 17 17 GLU CA C 17 58.384 56.938 1.446 1
1 108 . 1 1 1 A 17 17 GLU HA H 17 4.227 4.495 -0.268 1
1 109 . 1 1 1 A 17 17 GLU CB C 17 29.679 32.160 -2.481 1
1 115 . 1 1 1 A 17 17 GLU C C 17 177.104 177.656 -0.552 1
1 116 . 1 1 1 A 18 18 CYS N N 18 114.836 114.897 -0.061 1
1 117 . 1 1 1 A 18 18 CYS H H 18 7.953 8.105 -0.152 1
1 118 . 1 1 1 A 18 18 CYS CA C 18 58.341 59.725 -1.384 1
1 119 . 1 1 1 A 18 18 CYS HA H 18 5.156 4.787 0.369 1
1 120 . 1 1 1 A 18 18 CYS CB C 18 32.523 30.110 2.413 1
1 123 . 1 1 1 A 18 18 CYS C C 18 176.223 175.734 0.489 1
1 124 . 1 1 1 A 19 19 GLY N N 19 113.235 109.629 3.606 1
1 125 . 1 1 1 A 19 19 GLY H H 19 8.138 7.969 0.169 1
1 126 . 1 1 1 A 19 19 GLY CA C 19 46.304 45.074 1.230 1
1 127 . 1 1 1 A 19 19 GLY HA2 H 19 3.785 4.094 -0.309 1
1 128 . 1 1 1 A 19 19 GLY HA3 H 19 4.241 4.105 0.136 1
1 129 . 1 1 1 A 19 19 GLY C C 19 173.712 174.305 -0.593 1
1 130 . 1 1 1 A 20 20 LYS N N 20 123.349 119.306 4.043 1
1 131 . 1 1 1 A 20 20 LYS H H 20 8.040 7.816 0.224 1
1 132 . 1 1 1 A 20 20 LYS CA C 20 58.424 54.991 3.433 1
1 133 . 1 1 1 A 20 20 LYS HA H 20 3.919 4.390 -0.471 1
1 134 . 1 1 1 A 20 20 LYS CB C 20 33.699 33.725 -0.026 1
1 146 . 1 1 1 A 20 20 LYS C C 20 173.678 175.125 -1.447 1
1 147 . 1 1 1 A 21 21 ALA N N 21 124.050 121.867 2.183 1
1 148 . 1 1 1 A 21 21 ALA H H 21 7.783 8.209 -0.426 1
1 149 . 1 1 1 A 21 21 ALA CA C 21 50.427 50.844 -0.417 1
1 150 . 1 1 1 A 21 21 ALA HA H 21 5.135 5.439 -0.304 1
1 151 . 1 1 1 A 21 21 ALA CB C 21 22.453 21.878 0.575 1
1 155 . 1 1 1 A 21 21 ALA C C 21 176.113 175.605 0.508 1
1 156 . 1 1 1 A 22 22 PHE N N 22 116.580 120.436 -3.856 1
1 157 . 1 1 1 A 22 22 PHE H H 22 8.754 8.937 -0.183 1
1 158 . 1 1 1 A 22 22 PHE CA C 22 57.200 57.175 0.025 1
1 159 . 1 1 1 A 22 22 PHE HA H 22 4.695 4.992 -0.297 1
1 160 . 1 1 1 A 22 22 PHE CB C 22 44.007 42.438 1.569 1
1 173 . 1 1 1 A 22 22 PHE C C 22 175.166 176.052 -0.886 1
1 174 . 1 1 1 A 23 23 ARG N N 23 120.122 120.833 -0.711 1
1 175 . 1 1 1 A 23 23 ARG H H 23 9.062 9.215 -0.153 1
1 176 . 1 1 1 A 23 23 ARG CA C 23 57.935 57.617 0.318 1
1 177 . 1 1 1 A 23 23 ARG HA H 23 4.503 4.436 0.067 1
1 178 . 1 1 1 A 23 23 ARG CB C 23 31.133 31.096 0.037 1
1 187 . 1 1 1 A 23 23 ARG C C 23 175.314 176.590 -1.276 1
1 188 . 1 1 1 A 24 24 ALA N N 24 118.433 118.943 -0.510 1
1 189 . 1 1 1 A 24 24 ALA H H 24 7.636 7.815 -0.179 1
1 190 . 1 1 1 A 24 24 ALA CA C 24 50.400 50.513 -0.113 1
1 191 . 1 1 1 A 24 24 ALA HA H 24 4.860 4.858 0.002 1
1 192 . 1 1 1 A 24 24 ALA CB C 24 21.958 21.744 0.214 1
1 196 . 1 1 1 A 24 24 ALA C C 24 176.866 177.272 -0.406 1
1 197 . 1 1 1 A 25 25 ARG N N 25 124.787 119.422 5.365 1
1 198 . 1 1 1 A 25 25 ARG H H 25 8.490 8.561 -0.071 1
1 199 . 1 1 1 A 25 25 ARG CA C 25 59.298 59.302 -0.004 1
1 200 . 1 1 1 A 25 25 ARG HA H 25 3.125 3.034 0.091 1
1 201 . 1 1 1 A 25 25 ARG CB C 25 29.270 30.041 -0.771 1
1 210 . 1 1 1 A 25 25 ARG C C 25 178.954 177.686 1.268 1
1 211 . 1 1 1 A 26 26 SER CA C 26 60.587 61.542 -0.955 1
1 212 . 1 1 1 A 26 26 SER HA H 26 4.057 3.983 0.074 1
1 213 . 1 1 1 A 26 26 SER CB C 26 61.336 63.041 -1.705 1
1 216 . 1 1 1 A 26 26 SER C C 26 177.007 176.878 0.129 1
1 217 . 1 1 1 A 27 27 SER N N 27 117.278 117.136 0.142 1
1 218 . 1 1 1 A 27 27 SER H H 27 6.825 7.901 -1.076 1
1 219 . 1 1 1 A 27 27 SER CA C 27 60.701 62.158 -1.457 1
1 220 . 1 1 1 A 27 27 SER HA H 27 4.167 4.049 0.118 1
1 221 . 1 1 1 A 27 27 SER CB C 27 62.349 62.898 -0.549 1
1 224 . 1 1 1 A 27 27 SER C C 27 176.462 175.562 0.900 1
1 225 . 1 1 1 A 28 28 LEU N N 28 123.661 122.046 1.615 1
1 226 . 1 1 1 A 28 28 LEU H H 28 7.171 7.943 -0.772 1
1 227 . 1 1 1 A 28 28 LEU CA C 28 57.758 56.879 0.879 1
1 228 . 1 1 1 A 28 28 LEU HA H 28 3.179 2.178 1.001 1
1 229 . 1 1 1 A 28 28 LEU CB C 28 40.196 41.182 -0.986 1
1 242 . 1 1 1 A 28 28 LEU C C 28 177.102 178.001 -0.899 1
1 243 . 1 1 1 A 29 29 ALA N N 29 121.695 120.705 0.990 1
1 244 . 1 1 1 A 29 29 ALA H H 29 7.996 8.401 -0.405 1
1 245 . 1 1 1 A 29 29 ALA CA C 29 55.373 55.310 0.063 1
1 246 . 1 1 1 A 29 29 ALA HA H 29 4.175 3.996 0.179 1
1 247 . 1 1 1 A 29 29 ALA CB C 29 17.751 18.407 -0.656 1
1 251 . 1 1 1 A 29 29 ALA C C 29 181.065 179.832 1.233 1
1 252 . 1 1 1 A 30 30 ILE N N 30 118.797 117.609 1.188 1
1 253 . 1 1 1 A 30 30 ILE H H 30 7.480 7.878 -0.398 1
1 254 . 1 1 1 A 30 30 ILE CA C 30 64.334 64.937 -0.603 1
1 255 . 1 1 1 A 30 30 ILE HA H 30 3.698 3.729 -0.031 1
1 256 . 1 1 1 A 30 30 ILE CB C 30 38.471 37.785 0.686 1
1 269 . 1 1 1 A 30 30 ILE C C 30 178.562 178.498 0.064 1
1 270 . 1 1 1 A 31 31 HIS N N 31 118.999 120.036 -1.037 1
1 271 . 1 1 1 A 31 31 HIS H H 31 7.443 8.039 -0.596 1
1 272 . 1 1 1 A 31 31 HIS CA C 31 59.207 59.616 -0.409 1
1 273 . 1 1 1 A 31 31 HIS HA H 31 4.235 4.301 -0.066 1
1 274 . 1 1 1 A 31 31 HIS CB C 31 28.607 29.934 -1.327 1
1 281 . 1 1 1 A 31 31 HIS C C 31 178.221 177.493 0.728 1
1 282 . 1 1 1 A 32 32 GLN N N 32 120.561 117.586 2.975 1
1 283 . 1 1 1 A 32 32 GLN H H 32 9.107 8.356 0.751 1
1 284 . 1 1 1 A 32 32 GLN CA C 32 59.849 58.444 1.405 1
1 285 . 1 1 1 A 32 32 GLN HA H 32 3.717 3.871 -0.154 1
1 286 . 1 1 1 A 32 32 GLN CB C 32 28.269 28.343 -0.074 1
1 295 . 1 1 1 A 32 32 GLN C C 32 177.933 177.233 0.700 1
1 296 . 1 1 1 A 33 33 ALA N N 33 120.580 121.123 -0.543 1
1 297 . 1 1 1 A 33 33 ALA H H 33 7.225 7.278 -0.053 1
1 298 . 1 1 1 A 33 33 ALA CA C 33 54.275 52.993 1.282 1
1 299 . 1 1 1 A 33 33 ALA HA H 33 4.223 4.238 -0.015 1
1 300 . 1 1 1 A 33 33 ALA CB C 33 18.072 17.871 0.201 1
1 304 . 1 1 1 A 33 33 ALA C C 33 179.277 177.782 1.495 1
1 305 . 1 1 1 A 34 34 THR N N 34 108.871 108.301 0.570 1
1 306 . 1 1 1 A 34 34 THR H H 34 7.690 7.729 -0.039 1
1 307 . 1 1 1 A 34 34 THR CA C 34 63.808 62.520 1.288 1
1 308 . 1 1 1 A 34 34 THR HA H 34 4.152 4.434 -0.282 1
1 309 . 1 1 1 A 34 34 THR CB C 34 69.413 69.870 -0.457 1
1 315 . 1 1 1 A 34 34 THR C C 34 175.831 175.990 -0.159 1
1 316 . 1 1 1 A 35 35 HIS N N 35 118.845 119.331 -0.486 1
1 317 . 1 1 1 A 35 35 HIS H H 35 7.183 7.855 -0.672 1
1 318 . 1 1 1 A 35 35 HIS CA C 35 55.596 59.355 -3.759 1
1 319 . 1 1 1 A 35 35 HIS HA H 35 4.800 4.376 0.424 1
1 320 . 1 1 1 A 35 35 HIS CB C 35 28.675 29.637 -0.962 1
1 327 . 1 1 1 A 35 35 HIS C C 35 175.495 175.778 -0.283 1
1 328 . 1 1 1 A 36 36 SER N N 36 115.119 113.153 1.966 1
1 329 . 1 1 1 A 36 36 SER H H 36 7.871 7.550 0.321 1
1 330 . 1 1 1 A 36 36 SER CA C 36 58.965 59.605 -0.640 1
1 331 . 1 1 1 A 36 36 SER HA H 36 4.444 4.278 0.166 1
1 332 . 1 1 1 A 36 36 SER CB C 36 63.882 63.291 0.591 1
1 335 . 1 1 1 A 36 36 SER C C 36 175.070 174.639 0.431 1
1 336 . 1 1 1 A 37 37 GLY N N 37 110.906 109.351 1.555 1
1 337 . 1 1 1 A 37 37 GLY H H 37 8.364 8.445 -0.081 1
1 338 . 1 1 1 A 37 37 GLY CA C 37 45.222 45.838 -0.616 1
1 339 . 1 1 1 A 37 37 GLY HA2 H 37 3.977 4.158 -0.181 1
1 340 . 1 1 1 A 37 37 GLY HA3 H 37 3.901 4.162 -0.261 1
1 341 . 1 1 1 A 37 37 GLY C C 37 174.068 171.992 2.076 1
1 342 . 1 1 1 A 38 38 GLU N N 38 120.200 121.827 -1.627 1
1 343 . 1 1 1 A 38 38 GLU H H 38 8.198 8.712 -0.514 1
1 344 . 1 1 1 A 38 38 GLU CA C 38 56.989 55.045 1.944 1
1 345 . 1 1 1 A 38 38 GLU HA H 38 4.140 4.806 -0.666 1
1 346 . 1 1 1 A 38 38 GLU CB C 38 30.446 32.762 -2.316 1
1 352 . 1 1 1 A 38 38 GLU C C 38 176.270 174.943 1.327 1
1 353 . 1 1 1 A 39 39 LYS N N 39 120.907 117.794 3.113 1
1 354 . 1 1 1 A 39 39 LYS H H 39 8.233 8.756 -0.523 1
1 355 . 1 1 1 A 39 39 LYS CA C 39 53.740 56.896 -3.156 1
1 356 . 1 1 1 A 39 39 LYS HA H 39 4.464 3.753 0.711 1
1 357 . 1 1 1 A 39 39 LYS CB C 39 33.224 30.631 2.593 1
1 369 . 1 1 1 A 39 39 LYS C C 39 173.830 174.919 -1.089 1
1 370 . 1 1 1 A 40 40 PRO CA C 40 63.189 62.900 0.289 1
1 371 . 1 1 1 A 40 40 PRO HA H 40 4.462 4.453 0.009 1
1 372 . 1 1 1 A 40 40 PRO CB C 40 32.177 32.036 0.141 1
1 381 . 1 1 1 A 41 41 SER N N 41 116.632 118.160 -1.528 1
1 382 . 1 1 1 A 41 41 SER H H 41 8.507 8.510 -0.003 1
1 383 . 1 1 1 A 41 41 SER CA C 41 58.580 57.402 1.178 1
1 384 . 1 1 1 A 41 41 SER HA H 41 4.502 4.727 -0.225 1
1 385 . 1 1 1 A 41 41 SER CB C 41 63.908 62.519 1.389 1
1 388 . 1 1 1 A 42 42 GLY N N 42 110.670 114.584 -3.914 1
1 389 . 1 1 1 A 42 42 GLY H H 42 8.222 7.761 0.461 1
1 390 . 1 1 1 A 42 42 GLY CA C 42 44.675 45.603 -0.928 1
1 391 . 1 1 1 A 42 42 GLY HA2 H 42 4.151 4.116 0.035 1
1 392 . 1 1 1 A 42 42 GLY HA3 H 42 4.079 4.116 -0.037 1
1 393 . 1 1 1 A 43 43 PRO CA C 43 63.074 63.817 -0.743 1
1 394 . 1 1 1 A 43 43 PRO HA H 43 4.462 4.486 -0.024 1
1 395 . 1 1 1 A 43 43 PRO CB C 43 32.165 31.900 0.265 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.936 63.964 -2.028 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.334 4.069 0.265 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.790 69.955 -0.165 1
1 9 . 2 1 1 A 9 9 GLY CA C 9 45.303 46.918 -1.615 1
1 10 . 2 1 1 A 9 9 GLY HA2 H 9 3.975 3.911 0.064 1
1 11 . 2 1 1 A 9 9 GLY HA3 H 9 3.975 3.912 0.063 1
1 12 . 2 1 1 A 9 9 GLY C C 9 174.030 174.666 -0.636 1
1 13 . 2 1 1 A 10 10 GLU N N 10 120.522 122.867 -2.345 1
1 14 . 2 1 1 A 10 10 GLU H H 10 8.138 8.134 0.004 1
1 15 . 2 1 1 A 10 10 GLU CA C 10 56.348 55.150 1.198 1
1 16 . 2 1 1 A 10 10 GLU HA H 10 4.254 4.643 -0.389 1
1 17 . 2 1 1 A 10 10 GLU CB C 10 30.590 30.378 0.212 1
1 23 . 2 1 1 A 10 10 GLU C C 10 176.309 175.456 0.853 1
1 24 . 2 1 1 A 11 11 LYS N N 11 123.786 122.216 1.570 1
1 25 . 2 1 1 A 11 11 LYS H H 11 8.422 7.545 0.877 1
1 26 . 2 1 1 A 11 11 LYS CA C 11 54.092 53.809 0.283 1
1 27 . 2 1 1 A 11 11 LYS HA H 11 4.614 4.863 -0.249 1
1 28 . 2 1 1 A 11 11 LYS CB C 11 32.512 32.962 -0.450 1
1 40 . 2 1 1 A 11 11 LYS C C 11 174.485 175.111 -0.626 1
1 41 . 2 1 1 A 12 12 PRO CA C 12 63.537 64.652 -1.115 1
1 42 . 2 1 1 A 12 12 PRO HA H 12 4.222 4.413 -0.191 1
1 43 . 2 1 1 A 12 12 PRO CB C 12 32.294 32.093 0.201 1
1 52 . 2 1 1 A 12 12 PRO C C 12 176.522 175.875 0.647 1
1 53 . 2 1 1 A 13 13 TYR N N 13 118.425 118.222 0.203 1
1 54 . 2 1 1 A 13 13 TYR H H 13 7.747 7.658 0.089 1
1 55 . 2 1 1 A 13 13 TYR CA C 13 57.492 56.965 0.527 1
1 56 . 2 1 1 A 13 13 TYR HA H 13 4.643 5.395 -0.752 1
1 57 . 2 1 1 A 13 13 TYR CB C 13 38.298 41.767 -3.469 1
1 68 . 2 1 1 A 13 13 TYR C C 13 174.436 174.452 -0.016 1
1 69 . 2 1 1 A 14 14 LYS N N 14 125.064 122.608 2.456 1
1 70 . 2 1 1 A 14 14 LYS H H 14 8.580 8.779 -0.199 1
1 71 . 2 1 1 A 14 14 LYS CA C 14 55.150 55.902 -0.752 1
1 72 . 2 1 1 A 14 14 LYS HA H 14 4.934 4.912 0.022 1
1 73 . 2 1 1 A 14 14 LYS CB C 14 35.364 36.325 -0.961 1
1 85 . 2 1 1 A 14 14 LYS C C 14 175.164 174.236 0.928 1
1 86 . 2 1 1 A 15 15 CYS N N 15 126.356 124.535 1.821 1
1 87 . 2 1 1 A 15 15 CYS H H 15 9.216 8.884 0.332 1
1 88 . 2 1 1 A 15 15 CYS CA C 15 59.505 58.870 0.635 1
1 89 . 2 1 1 A 15 15 CYS HA H 15 4.499 4.705 -0.206 1
1 90 . 2 1 1 A 15 15 CYS CB C 15 29.802 29.049 0.753 1
1 93 . 2 1 1 A 15 15 CYS C C 15 177.060 176.528 0.532 1
1 94 . 2 1 1 A 16 16 ASN N N 16 130.128 121.970 8.158 1
1 95 . 2 1 1 A 16 16 ASN H H 16 9.375 8.487 0.888 1
1 96 . 2 1 1 A 16 16 ASN CA C 16 55.567 52.530 3.037 1
1 97 . 2 1 1 A 16 16 ASN HA H 16 4.526 4.888 -0.362 1
1 98 . 2 1 1 A 16 16 ASN CB C 16 38.377 39.039 -0.662 1
1 104 . 2 1 1 A 16 16 ASN C C 16 175.395 176.406 -1.011 1
1 105 . 2 1 1 A 17 17 GLU N N 17 121.112 117.949 3.163 1
1 106 . 2 1 1 A 17 17 GLU H H 17 8.801 7.590 1.211 1
1 107 . 2 1 1 A 17 17 GLU CA C 17 58.384 58.768 -0.384 1
1 108 . 2 1 1 A 17 17 GLU HA H 17 4.227 4.193 0.034 1
1 109 . 2 1 1 A 17 17 GLU CB C 17 29.679 30.180 -0.501 1
1 115 . 2 1 1 A 17 17 GLU C C 17 177.104 177.869 -0.765 1
1 116 . 2 1 1 A 18 18 CYS N N 18 114.836 115.347 -0.511 1
1 117 . 2 1 1 A 18 18 CYS H H 18 7.953 8.139 -0.186 1
1 118 . 2 1 1 A 18 18 CYS CA C 18 58.341 59.724 -1.383 1
1 119 . 2 1 1 A 18 18 CYS HA H 18 5.156 4.752 0.404 1
1 120 . 2 1 1 A 18 18 CYS CB C 18 32.523 30.023 2.500 1
1 123 . 2 1 1 A 18 18 CYS C C 18 176.223 175.573 0.650 1
1 124 . 2 1 1 A 19 19 GLY N N 19 113.235 110.370 2.865 1
1 125 . 2 1 1 A 19 19 GLY H H 19 8.138 8.271 -0.133 1
1 126 . 2 1 1 A 19 19 GLY CA C 19 46.304 45.179 1.125 1
1 127 . 2 1 1 A 19 19 GLY HA2 H 19 3.785 4.052 -0.267 1
1 128 . 2 1 1 A 19 19 GLY HA3 H 19 4.241 4.072 0.169 1
1 129 . 2 1 1 A 19 19 GLY C C 19 173.712 174.226 -0.514 1
1 130 . 2 1 1 A 20 20 LYS N N 20 123.349 121.828 1.521 1
1 131 . 2 1 1 A 20 20 LYS H H 20 8.040 7.407 0.633 1
1 132 . 2 1 1 A 20 20 LYS CA C 20 58.424 55.240 3.184 1
1 133 . 2 1 1 A 20 20 LYS HA H 20 3.919 4.361 -0.442 1
1 134 . 2 1 1 A 20 20 LYS CB C 20 33.699 33.210 0.489 1
1 146 . 2 1 1 A 20 20 LYS C C 20 173.678 175.312 -1.634 1
1 147 . 2 1 1 A 21 21 ALA N N 21 124.050 129.962 -5.912 1
1 148 . 2 1 1 A 21 21 ALA H H 21 7.783 8.679 -0.896 1
1 149 . 2 1 1 A 21 21 ALA CA C 21 50.427 50.651 -0.224 1
1 150 . 2 1 1 A 21 21 ALA HA H 21 5.135 5.239 -0.104 1
1 151 . 2 1 1 A 21 21 ALA CB C 21 22.453 20.570 1.883 1
1 155 . 2 1 1 A 21 21 ALA C C 21 176.113 176.678 -0.565 1
1 156 . 2 1 1 A 22 22 PHE N N 22 116.580 120.269 -3.689 1
1 157 . 2 1 1 A 22 22 PHE H H 22 8.754 9.222 -0.468 1
1 158 . 2 1 1 A 22 22 PHE CA C 22 57.200 57.269 -0.069 1
1 159 . 2 1 1 A 22 22 PHE HA H 22 4.695 5.038 -0.343 1
1 160 . 2 1 1 A 22 22 PHE CB C 22 44.007 42.486 1.521 1
1 173 . 2 1 1 A 22 22 PHE C C 22 175.166 176.611 -1.445 1
1 174 . 2 1 1 A 23 23 ARG N N 23 120.122 121.981 -1.859 1
1 175 . 2 1 1 A 23 23 ARG H H 23 9.062 9.111 -0.049 1
1 176 . 2 1 1 A 23 23 ARG CA C 23 57.935 57.273 0.662 1
1 177 . 2 1 1 A 23 23 ARG HA H 23 4.503 4.463 0.040 1
1 178 . 2 1 1 A 23 23 ARG CB C 23 31.133 32.077 -0.944 1
1 187 . 2 1 1 A 23 23 ARG C C 23 175.314 176.127 -0.813 1
1 188 . 2 1 1 A 24 24 ALA N N 24 118.433 117.612 0.821 1
1 189 . 2 1 1 A 24 24 ALA H H 24 7.636 7.726 -0.090 1
1 190 . 2 1 1 A 24 24 ALA CA C 24 50.400 50.916 -0.516 1
1 191 . 2 1 1 A 24 24 ALA HA H 24 4.860 4.950 -0.090 1
1 192 . 2 1 1 A 24 24 ALA CB C 24 21.958 21.921 0.037 1
1 196 . 2 1 1 A 24 24 ALA C C 24 176.866 177.184 -0.318 1
1 197 . 2 1 1 A 25 25 ARG N N 25 124.787 119.632 5.155 1
1 198 . 2 1 1 A 25 25 ARG H H 25 8.490 8.507 -0.017 1
1 199 . 2 1 1 A 25 25 ARG CA C 25 59.298 59.122 0.176 1
1 200 . 2 1 1 A 25 25 ARG HA H 25 3.125 2.859 0.266 1
1 201 . 2 1 1 A 25 25 ARG CB C 25 29.270 29.832 -0.562 1
1 210 . 2 1 1 A 25 25 ARG C C 25 178.954 177.480 1.474 1
1 211 . 2 1 1 A 26 26 SER CA C 26 60.587 61.565 -0.978 1
1 212 . 2 1 1 A 26 26 SER HA H 26 4.057 3.934 0.123 1
1 213 . 2 1 1 A 26 26 SER CB C 26 61.336 63.027 -1.691 1
1 216 . 2 1 1 A 26 26 SER C C 26 177.007 176.997 0.010 1
1 217 . 2 1 1 A 27 27 SER N N 27 117.278 116.907 0.371 1
1 218 . 2 1 1 A 27 27 SER H H 27 6.825 7.902 -1.077 1
1 219 . 2 1 1 A 27 27 SER CA C 27 60.701 62.078 -1.377 1
1 220 . 2 1 1 A 27 27 SER HA H 27 4.167 4.053 0.114 1
1 221 . 2 1 1 A 27 27 SER CB C 27 62.349 62.811 -0.462 1
1 224 . 2 1 1 A 27 27 SER C C 27 176.462 175.778 0.684 1
1 225 . 2 1 1 A 28 28 LEU N N 28 123.661 121.803 1.858 1
1 226 . 2 1 1 A 28 28 LEU H H 28 7.171 7.985 -0.814 1
1 227 . 2 1 1 A 28 28 LEU CA C 28 57.758 56.860 0.898 1
1 228 . 2 1 1 A 28 28 LEU HA H 28 3.179 2.460 0.719 1
1 229 . 2 1 1 A 28 28 LEU CB C 28 40.196 41.290 -1.094 1
1 242 . 2 1 1 A 28 28 LEU C C 28 177.102 178.041 -0.939 1
1 243 . 2 1 1 A 29 29 ALA N N 29 121.695 120.901 0.794 1
1 244 . 2 1 1 A 29 29 ALA H H 29 7.996 8.310 -0.314 1
1 245 . 2 1 1 A 29 29 ALA CA C 29 55.373 55.243 0.130 1
1 246 . 2 1 1 A 29 29 ALA HA H 29 4.175 3.951 0.224 1
1 247 . 2 1 1 A 29 29 ALA CB C 29 17.751 18.448 -0.697 1
1 251 . 2 1 1 A 29 29 ALA C C 29 181.065 179.833 1.232 1
1 252 . 2 1 1 A 30 30 ILE N N 30 118.797 117.598 1.199 1
1 253 . 2 1 1 A 30 30 ILE H H 30 7.480 7.703 -0.223 1
1 254 . 2 1 1 A 30 30 ILE CA C 30 64.334 64.985 -0.651 1
1 255 . 2 1 1 A 30 30 ILE HA H 30 3.698 3.719 -0.021 1
1 256 . 2 1 1 A 30 30 ILE CB C 30 38.471 37.889 0.582 1
1 269 . 2 1 1 A 30 30 ILE C C 30 178.562 178.292 0.270 1
1 270 . 2 1 1 A 31 31 HIS N N 31 118.999 120.026 -1.027 1
1 271 . 2 1 1 A 31 31 HIS H H 31 7.443 8.086 -0.643 1
1 272 . 2 1 1 A 31 31 HIS CA C 31 59.207 60.262 -1.055 1
1 273 . 2 1 1 A 31 31 HIS HA H 31 4.235 4.185 0.050 1
1 274 . 2 1 1 A 31 31 HIS CB C 31 28.607 30.104 -1.497 1
1 281 . 2 1 1 A 31 31 HIS C C 31 178.221 177.506 0.715 1
1 282 . 2 1 1 A 32 32 GLN N N 32 120.561 117.691 2.870 1
1 283 . 2 1 1 A 32 32 GLN H H 32 9.107 8.177 0.930 1
1 284 . 2 1 1 A 32 32 GLN CA C 32 59.849 58.191 1.658 1
1 285 . 2 1 1 A 32 32 GLN HA H 32 3.717 3.671 0.046 1
1 286 . 2 1 1 A 32 32 GLN CB C 32 28.269 28.291 -0.022 1
1 295 . 2 1 1 A 32 32 GLN C C 32 177.933 177.101 0.832 1
1 296 . 2 1 1 A 33 33 ALA N N 33 120.580 121.062 -0.482 1
1 297 . 2 1 1 A 33 33 ALA H H 33 7.225 7.109 0.116 1
1 298 . 2 1 1 A 33 33 ALA CA C 33 54.275 52.998 1.277 1
1 299 . 2 1 1 A 33 33 ALA HA H 33 4.223 4.233 -0.010 1
1 300 . 2 1 1 A 33 33 ALA CB C 33 18.072 17.911 0.161 1
1 304 . 2 1 1 A 33 33 ALA C C 33 179.277 177.712 1.565 1
1 305 . 2 1 1 A 34 34 THR N N 34 108.871 112.376 -3.505 1
1 306 . 2 1 1 A 34 34 THR H H 34 7.690 7.962 -0.272 1
1 307 . 2 1 1 A 34 34 THR CA C 34 63.808 62.795 1.013 1
1 308 . 2 1 1 A 34 34 THR HA H 34 4.152 4.590 -0.438 1
1 309 . 2 1 1 A 34 34 THR CB C 34 69.413 71.251 -1.838 1
1 315 . 2 1 1 A 34 34 THR C C 34 175.831 174.541 1.290 1
1 316 . 2 1 1 A 35 35 HIS N N 35 118.845 120.328 -1.483 1
1 317 . 2 1 1 A 35 35 HIS H H 35 7.183 7.531 -0.348 1
1 318 . 2 1 1 A 35 35 HIS CA C 35 55.596 55.244 0.352 1
1 319 . 2 1 1 A 35 35 HIS HA H 35 4.800 4.657 0.143 1
1 320 . 2 1 1 A 35 35 HIS CB C 35 28.675 29.288 -0.613 1
1 327 . 2 1 1 A 35 35 HIS C C 35 175.495 174.103 1.392 1
1 328 . 2 1 1 A 36 36 SER N N 36 115.119 120.758 -5.639 1
1 329 . 2 1 1 A 36 36 SER H H 36 7.871 8.801 -0.930 1
1 330 . 2 1 1 A 36 36 SER CA C 36 58.965 56.544 2.421 1
1 331 . 2 1 1 A 36 36 SER HA H 36 4.444 4.771 -0.327 1
1 332 . 2 1 1 A 36 36 SER CB C 36 63.882 65.674 -1.792 1
1 335 . 2 1 1 A 36 36 SER C C 36 175.070 174.247 0.823 1
1 336 . 2 1 1 A 37 37 GLY N N 37 110.906 112.687 -1.781 1
1 337 . 2 1 1 A 37 37 GLY H H 37 8.364 8.643 -0.279 1
1 338 . 2 1 1 A 37 37 GLY CA C 37 45.222 44.764 0.458 1
1 339 . 2 1 1 A 37 37 GLY HA2 H 37 3.977 4.019 -0.042 1
1 340 . 2 1 1 A 37 37 GLY HA3 H 37 3.901 4.023 -0.122 1
1 341 . 2 1 1 A 37 37 GLY C C 37 174.068 174.987 -0.919 1
1 342 . 2 1 1 A 38 38 GLU N N 38 120.200 117.417 2.783 1
1 343 . 2 1 1 A 38 38 GLU H H 38 8.198 8.916 -0.718 1
1 344 . 2 1 1 A 38 38 GLU CA C 38 56.989 57.404 -0.415 1
1 345 . 2 1 1 A 38 38 GLU HA H 38 4.140 3.837 0.303 1
1 346 . 2 1 1 A 38 38 GLU CB C 38 30.446 27.676 2.770 1
1 352 . 2 1 1 A 38 38 GLU C C 38 176.270 174.713 1.557 1
1 353 . 2 1 1 A 39 39 LYS N N 39 120.907 119.703 1.204 1
1 354 . 2 1 1 A 39 39 LYS H H 39 8.233 7.788 0.445 1
1 355 . 2 1 1 A 39 39 LYS CA C 39 53.740 52.898 0.842 1
1 356 . 2 1 1 A 39 39 LYS HA H 39 4.464 4.903 -0.439 1
1 357 . 2 1 1 A 39 39 LYS CB C 39 33.224 33.380 -0.156 1
1 369 . 2 1 1 A 39 39 LYS C C 39 173.830 174.574 -0.744 1
1 370 . 2 1 1 A 40 40 PRO CA C 40 63.189 62.373 0.816 1
1 371 . 2 1 1 A 40 40 PRO HA H 40 4.462 4.590 -0.128 1
1 372 . 2 1 1 A 40 40 PRO CB C 40 32.177 33.240 -1.063 1
1 381 . 2 1 1 A 41 41 SER N N 41 116.632 115.937 0.695 1
1 382 . 2 1 1 A 41 41 SER H H 41 8.507 8.749 -0.242 1
1 383 . 2 1 1 A 41 41 SER CA C 41 58.580 61.624 -3.044 1
1 384 . 2 1 1 A 41 41 SER HA H 41 4.502 4.220 0.282 1
1 385 . 2 1 1 A 41 41 SER CB C 41 63.908 63.437 0.471 1
1 388 . 2 1 1 A 42 42 GLY N N 42 110.670 104.550 6.120 1
1 389 . 2 1 1 A 42 42 GLY H H 42 8.222 7.396 0.826 1
1 390 . 2 1 1 A 42 42 GLY CA C 42 44.675 45.668 -0.993 1
1 391 . 2 1 1 A 42 42 GLY HA2 H 42 4.151 4.124 0.027 1
1 392 . 2 1 1 A 42 42 GLY HA3 H 42 4.079 4.126 -0.047 1
1 393 . 2 1 1 A 43 43 PRO CA C 43 63.074 62.533 0.541 1
1 394 . 2 1 1 A 43 43 PRO HA H 43 4.462 4.636 -0.174 1
1 395 . 2 1 1 A 43 43 PRO CB C 43 32.165 32.800 -0.635 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.936 61.674 0.262 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.334 4.362 -0.028 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.790 67.004 2.786 1
1 9 . 3 1 1 A 9 9 GLY CA C 9 45.303 46.192 -0.889 1
1 10 . 3 1 1 A 9 9 GLY HA2 H 9 3.975 4.087 -0.112 1
1 11 . 3 1 1 A 9 9 GLY HA3 H 9 3.975 4.087 -0.112 1
1 12 . 3 1 1 A 9 9 GLY C C 9 174.030 174.048 -0.018 1
1 13 . 3 1 1 A 10 10 GLU N N 10 120.522 122.291 -1.769 1
1 14 . 3 1 1 A 10 10 GLU H H 10 8.138 8.667 -0.529 1
1 15 . 3 1 1 A 10 10 GLU CA C 10 56.348 56.620 -0.272 1
1 16 . 3 1 1 A 10 10 GLU HA H 10 4.254 4.284 -0.030 1
1 17 . 3 1 1 A 10 10 GLU CB C 10 30.590 29.819 0.771 1
1 23 . 3 1 1 A 10 10 GLU C C 10 176.309 176.686 -0.377 1
1 24 . 3 1 1 A 11 11 LYS N N 11 123.786 120.923 2.863 1
1 25 . 3 1 1 A 11 11 LYS H H 11 8.422 8.392 0.030 1
1 26 . 3 1 1 A 11 11 LYS CA C 11 54.092 53.935 0.157 1
1 27 . 3 1 1 A 11 11 LYS HA H 11 4.614 4.855 -0.241 1
1 28 . 3 1 1 A 11 11 LYS CB C 11 32.512 33.517 -1.005 1
1 40 . 3 1 1 A 11 11 LYS C C 11 174.485 176.380 -1.895 1
1 41 . 3 1 1 A 12 12 PRO CA C 12 63.537 64.992 -1.455 1
1 42 . 3 1 1 A 12 12 PRO HA H 12 4.222 4.342 -0.120 1
1 43 . 3 1 1 A 12 12 PRO CB C 12 32.294 32.094 0.200 1
1 52 . 3 1 1 A 12 12 PRO C C 12 176.522 176.069 0.453 1
1 53 . 3 1 1 A 13 13 TYR N N 13 118.425 117.221 1.204 1
1 54 . 3 1 1 A 13 13 TYR H H 13 7.747 7.765 -0.018 1
1 55 . 3 1 1 A 13 13 TYR CA C 13 57.492 56.426 1.066 1
1 56 . 3 1 1 A 13 13 TYR HA H 13 4.643 5.251 -0.608 1
1 57 . 3 1 1 A 13 13 TYR CB C 13 38.298 43.344 -5.046 1
1 68 . 3 1 1 A 13 13 TYR C C 13 174.436 174.621 -0.185 1
1 69 . 3 1 1 A 14 14 LYS N N 14 125.064 120.579 4.485 1
1 70 . 3 1 1 A 14 14 LYS H H 14 8.580 8.822 -0.242 1
1 71 . 3 1 1 A 14 14 LYS CA C 14 55.150 55.925 -0.775 1
1 72 . 3 1 1 A 14 14 LYS HA H 14 4.934 5.263 -0.329 1
1 73 . 3 1 1 A 14 14 LYS CB C 14 35.364 36.380 -1.016 1
1 85 . 3 1 1 A 14 14 LYS C C 14 175.164 174.662 0.502 1
1 86 . 3 1 1 A 15 15 CYS N N 15 126.356 124.601 1.755 1
1 87 . 3 1 1 A 15 15 CYS H H 15 9.216 9.220 -0.004 1
1 88 . 3 1 1 A 15 15 CYS CA C 15 59.505 59.655 -0.150 1
1 89 . 3 1 1 A 15 15 CYS HA H 15 4.499 4.734 -0.235 1
1 90 . 3 1 1 A 15 15 CYS CB C 15 29.802 28.457 1.345 1
1 93 . 3 1 1 A 15 15 CYS C C 15 177.060 176.561 0.499 1
1 94 . 3 1 1 A 16 16 ASN N N 16 130.128 123.264 6.864 1
1 95 . 3 1 1 A 16 16 ASN H H 16 9.375 9.066 0.309 1
1 96 . 3 1 1 A 16 16 ASN CA C 16 55.567 53.222 2.345 1
1 97 . 3 1 1 A 16 16 ASN HA H 16 4.526 4.696 -0.170 1
1 98 . 3 1 1 A 16 16 ASN CB C 16 38.377 37.754 0.623 1
1 104 . 3 1 1 A 16 16 ASN C C 16 175.395 174.456 0.939 1
1 105 . 3 1 1 A 17 17 GLU N N 17 121.112 117.764 3.348 1
1 106 . 3 1 1 A 17 17 GLU H H 17 8.801 8.019 0.782 1
1 107 . 3 1 1 A 17 17 GLU CA C 17 58.384 57.117 1.267 1
1 108 . 3 1 1 A 17 17 GLU HA H 17 4.227 4.499 -0.272 1
1 109 . 3 1 1 A 17 17 GLU CB C 17 29.679 32.233 -2.554 1
1 115 . 3 1 1 A 17 17 GLU C C 17 177.104 177.759 -0.655 1
1 116 . 3 1 1 A 18 18 CYS N N 18 114.836 114.516 0.320 1
1 117 . 3 1 1 A 18 18 CYS H H 18 7.953 8.076 -0.123 1
1 118 . 3 1 1 A 18 18 CYS CA C 18 58.341 59.588 -1.247 1
1 119 . 3 1 1 A 18 18 CYS HA H 18 5.156 4.734 0.422 1
1 120 . 3 1 1 A 18 18 CYS CB C 18 32.523 29.901 2.622 1
1 123 . 3 1 1 A 18 18 CYS C C 18 176.223 175.421 0.802 1
1 124 . 3 1 1 A 19 19 GLY N N 19 113.235 109.601 3.634 1
1 125 . 3 1 1 A 19 19 GLY H H 19 8.138 7.979 0.159 1
1 126 . 3 1 1 A 19 19 GLY CA C 19 46.304 45.277 1.027 1
1 127 . 3 1 1 A 19 19 GLY HA2 H 19 3.785 4.071 -0.286 1
1 128 . 3 1 1 A 19 19 GLY HA3 H 19 4.241 4.084 0.157 1
1 129 . 3 1 1 A 19 19 GLY C C 19 173.712 174.220 -0.508 1
1 130 . 3 1 1 A 20 20 LYS N N 20 123.349 119.088 4.261 1
1 131 . 3 1 1 A 20 20 LYS H H 20 8.040 7.823 0.217 1
1 132 . 3 1 1 A 20 20 LYS CA C 20 58.424 54.106 4.318 1
1 133 . 3 1 1 A 20 20 LYS HA H 20 3.919 4.422 -0.503 1
1 134 . 3 1 1 A 20 20 LYS CB C 20 33.699 33.917 -0.218 1
1 146 . 3 1 1 A 20 20 LYS C C 20 173.678 175.291 -1.613 1
1 147 . 3 1 1 A 21 21 ALA N N 21 124.050 121.600 2.450 1
1 148 . 3 1 1 A 21 21 ALA H H 21 7.783 8.318 -0.535 1
1 149 . 3 1 1 A 21 21 ALA CA C 21 50.427 50.473 -0.046 1
1 150 . 3 1 1 A 21 21 ALA HA H 21 5.135 5.163 -0.028 1
1 151 . 3 1 1 A 21 21 ALA CB C 21 22.453 22.072 0.381 1
1 155 . 3 1 1 A 21 21 ALA C C 21 176.113 175.458 0.655 1
1 156 . 3 1 1 A 22 22 PHE N N 22 116.580 119.587 -3.007 1
1 157 . 3 1 1 A 22 22 PHE H H 22 8.754 9.391 -0.637 1
1 158 . 3 1 1 A 22 22 PHE CA C 22 57.200 56.705 0.495 1
1 159 . 3 1 1 A 22 22 PHE HA H 22 4.695 5.111 -0.416 1
1 160 . 3 1 1 A 22 22 PHE CB C 22 44.007 43.501 0.506 1
1 173 . 3 1 1 A 22 22 PHE C C 22 175.166 175.243 -0.077 1
1 174 . 3 1 1 A 23 23 ARG N N 23 120.122 121.935 -1.813 1
1 175 . 3 1 1 A 23 23 ARG H H 23 9.062 8.929 0.133 1
1 176 . 3 1 1 A 23 23 ARG CA C 23 57.935 55.675 2.260 1
1 177 . 3 1 1 A 23 23 ARG HA H 23 4.503 4.730 -0.227 1
1 178 . 3 1 1 A 23 23 ARG CB C 23 31.133 31.458 -0.325 1
1 187 . 3 1 1 A 23 23 ARG C C 23 175.314 175.058 0.256 1
1 188 . 3 1 1 A 24 24 ALA N N 24 118.433 120.048 -1.615 1
1 189 . 3 1 1 A 24 24 ALA H H 24 7.636 7.433 0.203 1
1 190 . 3 1 1 A 24 24 ALA CA C 24 50.400 51.637 -1.237 1
1 191 . 3 1 1 A 24 24 ALA HA H 24 4.860 4.494 0.366 1
1 192 . 3 1 1 A 24 24 ALA CB C 24 21.958 21.877 0.081 1
1 196 . 3 1 1 A 24 24 ALA C C 24 176.866 177.171 -0.305 1
1 197 . 3 1 1 A 25 25 ARG N N 25 124.787 124.500 0.287 1
1 198 . 3 1 1 A 25 25 ARG H H 25 8.490 8.651 -0.161 1
1 199 . 3 1 1 A 25 25 ARG CA C 25 59.298 59.444 -0.146 1
1 200 . 3 1 1 A 25 25 ARG HA H 25 3.125 2.597 0.528 1
1 201 . 3 1 1 A 25 25 ARG CB C 25 29.270 29.965 -0.695 1
1 210 . 3 1 1 A 25 25 ARG C C 25 178.954 177.533 1.421 1
1 211 . 3 1 1 A 26 26 SER CA C 26 60.587 61.576 -0.989 1
1 212 . 3 1 1 A 26 26 SER HA H 26 4.057 4.046 0.011 1
1 213 . 3 1 1 A 26 26 SER CB C 26 61.336 62.775 -1.439 1
1 216 . 3 1 1 A 26 26 SER C C 26 177.007 177.115 -0.108 1
1 217 . 3 1 1 A 27 27 SER N N 27 117.278 115.363 1.915 1
1 218 . 3 1 1 A 27 27 SER H H 27 6.825 7.940 -1.115 1
1 219 . 3 1 1 A 27 27 SER CA C 27 60.701 61.668 -0.967 1
1 220 . 3 1 1 A 27 27 SER HA H 27 4.167 4.016 0.151 1
1 221 . 3 1 1 A 27 27 SER CB C 27 62.349 63.083 -0.734 1
1 224 . 3 1 1 A 27 27 SER C C 27 176.462 176.768 -0.306 1
1 225 . 3 1 1 A 28 28 LEU N N 28 123.661 121.554 2.107 1
1 226 . 3 1 1 A 28 28 LEU H H 28 7.171 7.378 -0.207 1
1 227 . 3 1 1 A 28 28 LEU CA C 28 57.758 57.012 0.746 1
1 228 . 3 1 1 A 28 28 LEU HA H 28 3.179 1.708 1.471 1
1 229 . 3 1 1 A 28 28 LEU CB C 28 40.196 40.755 -0.559 1
1 242 . 3 1 1 A 28 28 LEU C C 28 177.102 178.220 -1.118 1
1 243 . 3 1 1 A 29 29 ALA N N 29 121.695 120.155 1.540 1
1 244 . 3 1 1 A 29 29 ALA H H 29 7.996 7.643 0.353 1
1 245 . 3 1 1 A 29 29 ALA CA C 29 55.373 55.273 0.100 1
1 246 . 3 1 1 A 29 29 ALA HA H 29 4.175 3.991 0.184 1
1 247 . 3 1 1 A 29 29 ALA CB C 29 17.751 18.483 -0.732 1
1 251 . 3 1 1 A 29 29 ALA C C 29 181.065 179.623 1.442 1
1 252 . 3 1 1 A 30 30 ILE N N 30 118.797 118.009 0.788 1
1 253 . 3 1 1 A 30 30 ILE H H 30 7.480 7.948 -0.468 1
1 254 . 3 1 1 A 30 30 ILE CA C 30 64.334 64.947 -0.613 1
1 255 . 3 1 1 A 30 30 ILE HA H 30 3.698 3.714 -0.016 1
1 256 . 3 1 1 A 30 30 ILE CB C 30 38.471 37.762 0.709 1
1 269 . 3 1 1 A 30 30 ILE C C 30 178.562 178.488 0.074 1
1 270 . 3 1 1 A 31 31 HIS N N 31 118.999 120.329 -1.330 1
1 271 . 3 1 1 A 31 31 HIS H H 31 7.443 7.596 -0.153 1
1 272 . 3 1 1 A 31 31 HIS CA C 31 59.207 59.685 -0.478 1
1 273 . 3 1 1 A 31 31 HIS HA H 31 4.235 4.301 -0.066 1
1 274 . 3 1 1 A 31 31 HIS CB C 31 28.607 30.227 -1.620 1
1 281 . 3 1 1 A 31 31 HIS C C 31 178.221 177.507 0.714 1
1 282 . 3 1 1 A 32 32 GLN N N 32 120.561 117.748 2.813 1
1 283 . 3 1 1 A 32 32 GLN H H 32 9.107 8.215 0.892 1
1 284 . 3 1 1 A 32 32 GLN CA C 32 59.849 58.655 1.194 1
1 285 . 3 1 1 A 32 32 GLN HA H 32 3.717 3.969 -0.252 1
1 286 . 3 1 1 A 32 32 GLN CB C 32 28.269 28.237 0.032 1
1 295 . 3 1 1 A 32 32 GLN C C 32 177.933 177.471 0.462 1
1 296 . 3 1 1 A 33 33 ALA N N 33 120.580 121.220 -0.640 1
1 297 . 3 1 1 A 33 33 ALA H H 33 7.225 7.275 -0.050 1
1 298 . 3 1 1 A 33 33 ALA CA C 33 54.275 53.213 1.062 1
1 299 . 3 1 1 A 33 33 ALA HA H 33 4.223 4.169 0.054 1
1 300 . 3 1 1 A 33 33 ALA CB C 33 18.072 17.893 0.179 1
1 304 . 3 1 1 A 33 33 ALA C C 33 179.277 177.831 1.446 1
1 305 . 3 1 1 A 34 34 THR N N 34 108.871 107.594 1.277 1
1 306 . 3 1 1 A 34 34 THR H H 34 7.690 7.782 -0.092 1
1 307 . 3 1 1 A 34 34 THR CA C 34 63.808 62.350 1.458 1
1 308 . 3 1 1 A 34 34 THR HA H 34 4.152 4.404 -0.252 1
1 309 . 3 1 1 A 34 34 THR CB C 34 69.413 69.924 -0.511 1
1 315 . 3 1 1 A 34 34 THR C C 34 175.831 175.149 0.682 1
1 316 . 3 1 1 A 35 35 HIS N N 35 118.845 119.925 -1.080 1
1 317 . 3 1 1 A 35 35 HIS H H 35 7.183 7.667 -0.484 1
1 318 . 3 1 1 A 35 35 HIS CA C 35 55.596 54.754 0.842 1
1 319 . 3 1 1 A 35 35 HIS HA H 35 4.800 4.639 0.161 1
1 320 . 3 1 1 A 35 35 HIS CB C 35 28.675 27.571 1.104 1
1 327 . 3 1 1 A 35 35 HIS C C 35 175.495 175.622 -0.127 1
1 328 . 3 1 1 A 36 36 SER N N 36 115.119 116.461 -1.342 1
1 329 . 3 1 1 A 36 36 SER H H 36 7.871 7.915 -0.044 1
1 330 . 3 1 1 A 36 36 SER CA C 36 58.965 57.370 1.595 1
1 331 . 3 1 1 A 36 36 SER HA H 36 4.444 4.840 -0.396 1
1 332 . 3 1 1 A 36 36 SER CB C 36 63.882 64.066 -0.184 1
1 335 . 3 1 1 A 36 36 SER C C 36 175.070 175.383 -0.313 1
1 336 . 3 1 1 A 37 37 GLY N N 37 110.906 110.204 0.702 1
1 337 . 3 1 1 A 37 37 GLY H H 37 8.364 8.549 -0.185 1
1 338 . 3 1 1 A 37 37 GLY CA C 37 45.222 46.760 -1.538 1
1 339 . 3 1 1 A 37 37 GLY HA2 H 37 3.977 3.810 0.167 1
1 340 . 3 1 1 A 37 37 GLY HA3 H 37 3.901 3.816 0.085 1
1 341 . 3 1 1 A 37 37 GLY C C 37 174.068 174.969 -0.901 1
1 342 . 3 1 1 A 38 38 GLU N N 38 120.200 118.695 1.505 1
1 343 . 3 1 1 A 38 38 GLU H H 38 8.198 8.217 -0.019 1
1 344 . 3 1 1 A 38 38 GLU CA C 38 56.989 55.873 1.116 1
1 345 . 3 1 1 A 38 38 GLU HA H 38 4.140 4.394 -0.254 1
1 346 . 3 1 1 A 38 38 GLU CB C 38 30.446 29.056 1.390 1
1 352 . 3 1 1 A 38 38 GLU C C 38 176.270 175.531 0.739 1
1 353 . 3 1 1 A 39 39 LYS N N 39 120.907 122.278 -1.371 1
1 354 . 3 1 1 A 39 39 LYS H H 39 8.233 7.550 0.683 1
1 355 . 3 1 1 A 39 39 LYS CA C 39 53.740 53.088 0.652 1
1 356 . 3 1 1 A 39 39 LYS HA H 39 4.464 4.902 -0.438 1
1 357 . 3 1 1 A 39 39 LYS CB C 39 33.224 33.521 -0.297 1
1 369 . 3 1 1 A 39 39 LYS C C 39 173.830 174.282 -0.452 1
1 370 . 3 1 1 A 40 40 PRO CA C 40 63.189 62.522 0.667 1
1 371 . 3 1 1 A 40 40 PRO HA H 40 4.462 4.687 -0.225 1
1 372 . 3 1 1 A 40 40 PRO CB C 40 32.177 29.810 2.367 1
1 381 . 3 1 1 A 41 41 SER N N 41 116.632 119.447 -2.815 1
1 382 . 3 1 1 A 41 41 SER H H 41 8.507 8.100 0.407 1
1 383 . 3 1 1 A 41 41 SER CA C 41 58.580 57.714 0.866 1
1 384 . 3 1 1 A 41 41 SER HA H 41 4.502 5.092 -0.590 1
1 385 . 3 1 1 A 41 41 SER CB C 41 63.908 65.941 -2.033 1
1 388 . 3 1 1 A 42 42 GLY N N 42 110.670 112.404 -1.734 1
1 389 . 3 1 1 A 42 42 GLY H H 42 8.222 8.389 -0.167 1
1 390 . 3 1 1 A 42 42 GLY CA C 42 44.675 45.379 -0.704 1
1 391 . 3 1 1 A 42 42 GLY HA2 H 42 4.151 4.174 -0.023 1
1 392 . 3 1 1 A 42 42 GLY HA3 H 42 4.079 4.174 -0.095 1
1 393 . 3 1 1 A 43 43 PRO CA C 43 63.074 62.460 0.614 1
1 394 . 3 1 1 A 43 43 PRO HA H 43 4.462 4.580 -0.118 1
1 395 . 3 1 1 A 43 43 PRO CB C 43 32.165 32.924 -0.759 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.936 59.782 2.154 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.334 5.268 -0.934 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.790 72.234 -2.444 1
1 9 . 4 1 1 A 9 9 GLY CA C 9 45.303 43.980 1.323 1
1 10 . 4 1 1 A 9 9 GLY HA2 H 9 3.975 4.245 -0.270 1
1 11 . 4 1 1 A 9 9 GLY HA3 H 9 3.975 4.247 -0.272 1
1 12 . 4 1 1 A 9 9 GLY C C 9 174.030 173.626 0.404 1
1 13 . 4 1 1 A 10 10 GLU N N 10 120.522 115.764 4.758 1
1 14 . 4 1 1 A 10 10 GLU H H 10 8.138 8.451 -0.313 1
1 15 . 4 1 1 A 10 10 GLU CA C 10 56.348 55.406 0.942 1
1 16 . 4 1 1 A 10 10 GLU HA H 10 4.254 4.693 -0.439 1
1 17 . 4 1 1 A 10 10 GLU CB C 10 30.590 29.501 1.089 1
1 23 . 4 1 1 A 10 10 GLU C C 10 176.309 175.774 0.535 1
1 24 . 4 1 1 A 11 11 LYS N N 11 123.786 120.313 3.473 1
1 25 . 4 1 1 A 11 11 LYS H H 11 8.422 7.641 0.781 1
1 26 . 4 1 1 A 11 11 LYS CA C 11 54.092 53.794 0.298 1
1 27 . 4 1 1 A 11 11 LYS HA H 11 4.614 4.843 -0.229 1
1 28 . 4 1 1 A 11 11 LYS CB C 11 32.512 33.024 -0.512 1
1 40 . 4 1 1 A 11 11 LYS C C 11 174.485 175.113 -0.628 1
1 41 . 4 1 1 A 12 12 PRO CA C 12 63.537 64.887 -1.350 1
1 42 . 4 1 1 A 12 12 PRO HA H 12 4.222 4.252 -0.030 1
1 43 . 4 1 1 A 12 12 PRO CB C 12 32.294 31.984 0.310 1
1 52 . 4 1 1 A 12 12 PRO C C 12 176.522 175.951 0.571 1
1 53 . 4 1 1 A 13 13 TYR N N 13 118.425 117.828 0.597 1
1 54 . 4 1 1 A 13 13 TYR H H 13 7.747 7.186 0.561 1
1 55 . 4 1 1 A 13 13 TYR CA C 13 57.492 56.520 0.972 1
1 56 . 4 1 1 A 13 13 TYR HA H 13 4.643 5.301 -0.658 1
1 57 . 4 1 1 A 13 13 TYR CB C 13 38.298 43.301 -5.003 1
1 68 . 4 1 1 A 13 13 TYR C C 13 174.436 174.784 -0.348 1
1 69 . 4 1 1 A 14 14 LYS N N 14 125.064 118.527 6.537 1
1 70 . 4 1 1 A 14 14 LYS H H 14 8.580 9.120 -0.540 1
1 71 . 4 1 1 A 14 14 LYS CA C 14 55.150 55.193 -0.043 1
1 72 . 4 1 1 A 14 14 LYS HA H 14 4.934 5.546 -0.612 1
1 73 . 4 1 1 A 14 14 LYS CB C 14 35.364 35.593 -0.229 1
1 85 . 4 1 1 A 14 14 LYS C C 14 175.164 174.019 1.145 1
1 86 . 4 1 1 A 15 15 CYS N N 15 126.356 121.233 5.123 1
1 87 . 4 1 1 A 15 15 CYS H H 15 9.216 9.136 0.080 1
1 88 . 4 1 1 A 15 15 CYS CA C 15 59.505 58.368 1.137 1
1 89 . 4 1 1 A 15 15 CYS HA H 15 4.499 4.774 -0.275 1
1 90 . 4 1 1 A 15 15 CYS CB C 15 29.802 28.770 1.032 1
1 93 . 4 1 1 A 15 15 CYS C C 15 177.060 176.177 0.883 1
1 94 . 4 1 1 A 16 16 ASN N N 16 130.128 123.230 6.898 1
1 95 . 4 1 1 A 16 16 ASN H H 16 9.375 8.991 0.384 1
1 96 . 4 1 1 A 16 16 ASN CA C 16 55.567 53.023 2.544 1
1 97 . 4 1 1 A 16 16 ASN HA H 16 4.526 4.717 -0.191 1
1 98 . 4 1 1 A 16 16 ASN CB C 16 38.377 37.649 0.728 1
1 104 . 4 1 1 A 16 16 ASN C C 16 175.395 174.383 1.012 1
1 105 . 4 1 1 A 17 17 GLU N N 17 121.112 117.546 3.566 1
1 106 . 4 1 1 A 17 17 GLU H H 17 8.801 7.908 0.893 1
1 107 . 4 1 1 A 17 17 GLU CA C 17 58.384 57.139 1.245 1
1 108 . 4 1 1 A 17 17 GLU HA H 17 4.227 4.513 -0.286 1
1 109 . 4 1 1 A 17 17 GLU CB C 17 29.679 32.068 -2.389 1
1 115 . 4 1 1 A 17 17 GLU C C 17 177.104 177.858 -0.754 1
1 116 . 4 1 1 A 18 18 CYS N N 18 114.836 114.920 -0.084 1
1 117 . 4 1 1 A 18 18 CYS H H 18 7.953 8.084 -0.131 1
1 118 . 4 1 1 A 18 18 CYS CA C 18 58.341 59.768 -1.427 1
1 119 . 4 1 1 A 18 18 CYS HA H 18 5.156 4.722 0.434 1
1 120 . 4 1 1 A 18 18 CYS CB C 18 32.523 29.992 2.531 1
1 123 . 4 1 1 A 18 18 CYS C C 18 176.223 175.423 0.800 1
1 124 . 4 1 1 A 19 19 GLY N N 19 113.235 109.880 3.355 1
1 125 . 4 1 1 A 19 19 GLY H H 19 8.138 8.053 0.085 1
1 126 . 4 1 1 A 19 19 GLY CA C 19 46.304 45.291 1.013 1
1 127 . 4 1 1 A 19 19 GLY HA2 H 19 3.785 4.055 -0.270 1
1 128 . 4 1 1 A 19 19 GLY HA3 H 19 4.241 4.057 0.184 1
1 129 . 4 1 1 A 19 19 GLY C C 19 173.712 174.271 -0.559 1
1 130 . 4 1 1 A 20 20 LYS N N 20 123.349 120.777 2.572 1
1 131 . 4 1 1 A 20 20 LYS H H 20 8.040 7.666 0.374 1
1 132 . 4 1 1 A 20 20 LYS CA C 20 58.424 54.905 3.519 1
1 133 . 4 1 1 A 20 20 LYS HA H 20 3.919 4.449 -0.530 1
1 134 . 4 1 1 A 20 20 LYS CB C 20 33.699 34.243 -0.544 1
1 146 . 4 1 1 A 20 20 LYS C C 20 173.678 174.914 -1.236 1
1 147 . 4 1 1 A 21 21 ALA N N 21 124.050 130.183 -6.133 1
1 148 . 4 1 1 A 21 21 ALA H H 21 7.783 8.730 -0.947 1
1 149 . 4 1 1 A 21 21 ALA CA C 21 50.427 50.528 -0.101 1
1 150 . 4 1 1 A 21 21 ALA HA H 21 5.135 5.049 0.086 1
1 151 . 4 1 1 A 21 21 ALA CB C 21 22.453 20.517 1.936 1
1 155 . 4 1 1 A 21 21 ALA C C 21 176.113 176.709 -0.596 1
1 156 . 4 1 1 A 22 22 PHE N N 22 116.580 120.574 -3.994 1
1 157 . 4 1 1 A 22 22 PHE H H 22 8.754 9.071 -0.317 1
1 158 . 4 1 1 A 22 22 PHE CA C 22 57.200 57.263 -0.063 1
1 159 . 4 1 1 A 22 22 PHE HA H 22 4.695 5.065 -0.370 1
1 160 . 4 1 1 A 22 22 PHE CB C 22 44.007 42.248 1.759 1
1 173 . 4 1 1 A 22 22 PHE C C 22 175.166 176.103 -0.937 1
1 174 . 4 1 1 A 23 23 ARG N N 23 120.122 122.161 -2.039 1
1 175 . 4 1 1 A 23 23 ARG H H 23 9.062 9.175 -0.113 1
1 176 . 4 1 1 A 23 23 ARG CA C 23 57.935 56.993 0.942 1
1 177 . 4 1 1 A 23 23 ARG HA H 23 4.503 4.526 -0.023 1
1 178 . 4 1 1 A 23 23 ARG CB C 23 31.133 31.996 -0.863 1
1 187 . 4 1 1 A 23 23 ARG C C 23 175.314 175.845 -0.531 1
1 188 . 4 1 1 A 24 24 ALA N N 24 118.433 117.887 0.546 1
1 189 . 4 1 1 A 24 24 ALA H H 24 7.636 7.849 -0.213 1
1 190 . 4 1 1 A 24 24 ALA CA C 24 50.400 50.760 -0.360 1
1 191 . 4 1 1 A 24 24 ALA HA H 24 4.860 4.848 0.012 1
1 192 . 4 1 1 A 24 24 ALA CB C 24 21.958 21.433 0.525 1
1 196 . 4 1 1 A 24 24 ALA C C 24 176.866 177.790 -0.924 1
1 197 . 4 1 1 A 25 25 ARG N N 25 124.787 121.276 3.511 1
1 198 . 4 1 1 A 25 25 ARG H H 25 8.490 8.943 -0.453 1
1 199 . 4 1 1 A 25 25 ARG CA C 25 59.298 59.547 -0.249 1
1 200 . 4 1 1 A 25 25 ARG HA H 25 3.125 3.209 -0.084 1
1 201 . 4 1 1 A 25 25 ARG CB C 25 29.270 29.815 -0.545 1
1 210 . 4 1 1 A 25 25 ARG C C 25 178.954 177.625 1.329 1
1 211 . 4 1 1 A 26 26 SER CA C 26 60.587 61.334 -0.747 1
1 212 . 4 1 1 A 26 26 SER HA H 26 4.057 4.094 -0.037 1
1 213 . 4 1 1 A 26 26 SER CB C 26 61.336 62.398 -1.062 1
1 216 . 4 1 1 A 26 26 SER C C 26 177.007 177.018 -0.011 1
1 217 . 4 1 1 A 27 27 SER N N 27 117.278 116.295 0.983 1
1 218 . 4 1 1 A 27 27 SER H H 27 6.825 7.920 -1.095 1
1 219 . 4 1 1 A 27 27 SER CA C 27 60.701 62.201 -1.500 1
1 220 . 4 1 1 A 27 27 SER HA H 27 4.167 4.062 0.105 1
1 221 . 4 1 1 A 27 27 SER CB C 27 62.349 62.827 -0.478 1
1 224 . 4 1 1 A 27 27 SER C C 27 176.462 175.572 0.890 1
1 225 . 4 1 1 A 28 28 LEU N N 28 123.661 122.121 1.540 1
1 226 . 4 1 1 A 28 28 LEU H H 28 7.171 7.589 -0.418 1
1 227 . 4 1 1 A 28 28 LEU CA C 28 57.758 57.135 0.623 1
1 228 . 4 1 1 A 28 28 LEU HA H 28 3.179 2.552 0.627 1
1 229 . 4 1 1 A 28 28 LEU CB C 28 40.196 41.094 -0.898 1
1 242 . 4 1 1 A 28 28 LEU C C 28 177.102 177.989 -0.887 1
1 243 . 4 1 1 A 29 29 ALA N N 29 121.695 120.710 0.985 1
1 244 . 4 1 1 A 29 29 ALA H H 29 7.996 7.904 0.092 1
1 245 . 4 1 1 A 29 29 ALA CA C 29 55.373 55.349 0.024 1
1 246 . 4 1 1 A 29 29 ALA HA H 29 4.175 3.975 0.200 1
1 247 . 4 1 1 A 29 29 ALA CB C 29 17.751 18.487 -0.736 1
1 251 . 4 1 1 A 29 29 ALA C C 29 181.065 179.873 1.192 1
1 252 . 4 1 1 A 30 30 ILE N N 30 118.797 117.597 1.200 1
1 253 . 4 1 1 A 30 30 ILE H H 30 7.480 7.828 -0.348 1
1 254 . 4 1 1 A 30 30 ILE CA C 30 64.334 64.956 -0.622 1
1 255 . 4 1 1 A 30 30 ILE HA H 30 3.698 3.736 -0.038 1
1 256 . 4 1 1 A 30 30 ILE CB C 30 38.471 37.801 0.670 1
1 269 . 4 1 1 A 30 30 ILE C C 30 178.562 178.573 -0.011 1
1 270 . 4 1 1 A 31 31 HIS N N 31 118.999 119.873 -0.874 1
1 271 . 4 1 1 A 31 31 HIS H H 31 7.443 7.647 -0.204 1
1 272 . 4 1 1 A 31 31 HIS CA C 31 59.207 59.821 -0.614 1
1 273 . 4 1 1 A 31 31 HIS HA H 31 4.235 4.285 -0.050 1
1 274 . 4 1 1 A 31 31 HIS CB C 31 28.607 29.926 -1.319 1
1 281 . 4 1 1 A 31 31 HIS C C 31 178.221 177.413 0.808 1
1 282 . 4 1 1 A 32 32 GLN N N 32 120.561 117.341 3.220 1
1 283 . 4 1 1 A 32 32 GLN H H 32 9.107 8.284 0.823 1
1 284 . 4 1 1 A 32 32 GLN CA C 32 59.849 58.986 0.863 1
1 285 . 4 1 1 A 32 32 GLN HA H 32 3.717 3.890 -0.173 1
1 286 . 4 1 1 A 32 32 GLN CB C 32 28.269 28.053 0.216 1
1 295 . 4 1 1 A 32 32 GLN C C 32 177.933 178.707 -0.774 1
1 296 . 4 1 1 A 33 33 ALA N N 33 120.580 120.816 -0.236 1
1 297 . 4 1 1 A 33 33 ALA H H 33 7.225 8.040 -0.815 1
1 298 . 4 1 1 A 33 33 ALA CA C 33 54.275 54.177 0.098 1
1 299 . 4 1 1 A 33 33 ALA HA H 33 4.223 4.087 0.136 1
1 300 . 4 1 1 A 33 33 ALA CB C 33 18.072 18.537 -0.465 1
1 304 . 4 1 1 A 33 33 ALA C C 33 179.277 178.706 0.571 1
1 305 . 4 1 1 A 34 34 THR N N 34 108.871 112.954 -4.083 1
1 306 . 4 1 1 A 34 34 THR H H 34 7.690 7.982 -0.292 1
1 307 . 4 1 1 A 34 34 THR CA C 34 63.808 63.716 0.092 1
1 308 . 4 1 1 A 34 34 THR HA H 34 4.152 4.302 -0.150 1
1 309 . 4 1 1 A 34 34 THR CB C 34 69.413 69.894 -0.481 1
1 315 . 4 1 1 A 34 34 THR C C 34 175.831 175.579 0.252 1
1 316 . 4 1 1 A 35 35 HIS N N 35 118.845 117.763 1.082 1
1 317 . 4 1 1 A 35 35 HIS H H 35 7.183 7.872 -0.689 1
1 318 . 4 1 1 A 35 35 HIS CA C 35 55.596 55.108 0.488 1
1 319 . 4 1 1 A 35 35 HIS HA H 35 4.800 4.641 0.159 1
1 320 . 4 1 1 A 35 35 HIS CB C 35 28.675 28.305 0.370 1
1 327 . 4 1 1 A 35 35 HIS C C 35 175.495 174.406 1.089 1
1 328 . 4 1 1 A 36 36 SER N N 36 115.119 116.294 -1.175 1
1 329 . 4 1 1 A 36 36 SER H H 36 7.871 7.763 0.108 1
1 330 . 4 1 1 A 36 36 SER CA C 36 58.965 56.838 2.127 1
1 331 . 4 1 1 A 36 36 SER HA H 36 4.444 4.668 -0.224 1
1 332 . 4 1 1 A 36 36 SER CB C 36 63.882 63.961 -0.079 1
1 335 . 4 1 1 A 36 36 SER C C 36 175.070 174.382 0.688 1
1 336 . 4 1 1 A 37 37 GLY N N 37 110.906 114.364 -3.458 1
1 337 . 4 1 1 A 37 37 GLY H H 37 8.364 8.637 -0.273 1
1 338 . 4 1 1 A 37 37 GLY CA C 37 45.222 45.916 -0.694 1
1 339 . 4 1 1 A 37 37 GLY HA2 H 37 3.977 4.045 -0.068 1
1 340 . 4 1 1 A 37 37 GLY HA3 H 37 3.901 4.047 -0.146 1
1 341 . 4 1 1 A 37 37 GLY C C 37 174.068 174.051 0.017 1
1 342 . 4 1 1 A 38 38 GLU N N 38 120.200 120.014 0.186 1
1 343 . 4 1 1 A 38 38 GLU H H 38 8.198 7.940 0.258 1
1 344 . 4 1 1 A 38 38 GLU CA C 38 56.989 55.976 1.013 1
1 345 . 4 1 1 A 38 38 GLU HA H 38 4.140 4.410 -0.270 1
1 346 . 4 1 1 A 38 38 GLU CB C 38 30.446 29.896 0.550 1
1 352 . 4 1 1 A 38 38 GLU C C 38 176.270 176.485 -0.215 1
1 353 . 4 1 1 A 39 39 LYS N N 39 120.907 120.441 0.466 1
1 354 . 4 1 1 A 39 39 LYS H H 39 8.233 8.932 -0.699 1
1 355 . 4 1 1 A 39 39 LYS CA C 39 53.740 56.863 -3.123 1
1 356 . 4 1 1 A 39 39 LYS HA H 39 4.464 3.789 0.675 1
1 357 . 4 1 1 A 39 39 LYS CB C 39 33.224 30.361 2.863 1
1 369 . 4 1 1 A 39 39 LYS C C 39 173.830 174.929 -1.099 1
1 370 . 4 1 1 A 40 40 PRO CA C 40 63.189 62.664 0.525 1
1 371 . 4 1 1 A 40 40 PRO HA H 40 4.462 4.630 -0.168 1
1 372 . 4 1 1 A 40 40 PRO CB C 40 32.177 31.599 0.578 1
1 381 . 4 1 1 A 41 41 SER N N 41 116.632 118.907 -2.275 1
1 382 . 4 1 1 A 41 41 SER H H 41 8.507 8.729 -0.222 1
1 383 . 4 1 1 A 41 41 SER CA C 41 58.580 61.818 -3.238 1
1 384 . 4 1 1 A 41 41 SER HA H 41 4.502 4.218 0.284 1
1 385 . 4 1 1 A 41 41 SER CB C 41 63.908 63.324 0.584 1
1 388 . 4 1 1 A 42 42 GLY N N 42 110.670 104.484 6.186 1
1 389 . 4 1 1 A 42 42 GLY H H 42 8.222 7.313 0.909 1
1 390 . 4 1 1 A 42 42 GLY CA C 42 44.675 45.778 -1.103 1
1 391 . 4 1 1 A 42 42 GLY HA2 H 42 4.151 4.239 -0.088 1
1 392 . 4 1 1 A 42 42 GLY HA3 H 42 4.079 4.239 -0.160 1
1 393 . 4 1 1 A 43 43 PRO CA C 43 63.074 63.942 -0.868 1
1 394 . 4 1 1 A 43 43 PRO HA H 43 4.462 4.507 -0.045 1
1 395 . 4 1 1 A 43 43 PRO CB C 43 32.165 31.604 0.561 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.936 61.041 0.895 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.334 4.677 -0.343 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.790 69.671 0.119 1
1 9 . 5 1 1 A 9 9 GLY CA C 9 45.303 45.945 -0.642 1
1 10 . 5 1 1 A 9 9 GLY HA2 H 9 3.975 4.014 -0.039 1
1 11 . 5 1 1 A 9 9 GLY HA3 H 9 3.975 4.014 -0.039 1
1 12 . 5 1 1 A 9 9 GLY C C 9 174.030 175.074 -1.044 1
1 13 . 5 1 1 A 10 10 GLU N N 10 120.522 117.964 2.558 1
1 14 . 5 1 1 A 10 10 GLU H H 10 8.138 8.120 0.018 1
1 15 . 5 1 1 A 10 10 GLU CA C 10 56.348 55.289 1.059 1
1 16 . 5 1 1 A 10 10 GLU HA H 10 4.254 4.541 -0.287 1
1 17 . 5 1 1 A 10 10 GLU CB C 10 30.590 29.294 1.296 1
1 23 . 5 1 1 A 10 10 GLU C C 10 176.309 176.663 -0.354 1
1 24 . 5 1 1 A 11 11 LYS N N 11 123.786 121.133 2.653 1
1 25 . 5 1 1 A 11 11 LYS H H 11 8.422 7.358 1.064 1
1 26 . 5 1 1 A 11 11 LYS CA C 11 54.092 53.976 0.116 1
1 27 . 5 1 1 A 11 11 LYS HA H 11 4.614 4.470 0.144 1
1 28 . 5 1 1 A 11 11 LYS CB C 11 32.512 31.821 0.691 1
1 40 . 5 1 1 A 11 11 LYS C C 11 174.485 176.553 -2.068 1
1 41 . 5 1 1 A 12 12 PRO CA C 12 63.537 65.120 -1.583 1
1 42 . 5 1 1 A 12 12 PRO HA H 12 4.222 4.393 -0.171 1
1 43 . 5 1 1 A 12 12 PRO CB C 12 32.294 32.094 0.200 1
1 52 . 5 1 1 A 12 12 PRO C C 12 176.522 176.329 0.193 1
1 53 . 5 1 1 A 13 13 TYR N N 13 118.425 117.824 0.601 1
1 54 . 5 1 1 A 13 13 TYR H H 13 7.747 7.744 0.003 1
1 55 . 5 1 1 A 13 13 TYR CA C 13 57.492 56.437 1.055 1
1 56 . 5 1 1 A 13 13 TYR HA H 13 4.643 5.353 -0.710 1
1 57 . 5 1 1 A 13 13 TYR CB C 13 38.298 42.364 -4.066 1
1 68 . 5 1 1 A 13 13 TYR C C 13 174.436 174.550 -0.114 1
1 69 . 5 1 1 A 14 14 LYS N N 14 125.064 121.344 3.720 1
1 70 . 5 1 1 A 14 14 LYS H H 14 8.580 8.909 -0.329 1
1 71 . 5 1 1 A 14 14 LYS CA C 14 55.150 55.396 -0.246 1
1 72 . 5 1 1 A 14 14 LYS HA H 14 4.934 4.831 0.103 1
1 73 . 5 1 1 A 14 14 LYS CB C 14 35.364 36.366 -1.002 1
1 85 . 5 1 1 A 14 14 LYS C C 14 175.164 174.484 0.680 1
1 86 . 5 1 1 A 15 15 CYS N N 15 126.356 124.466 1.890 1
1 87 . 5 1 1 A 15 15 CYS H H 15 9.216 8.969 0.247 1
1 88 . 5 1 1 A 15 15 CYS CA C 15 59.505 59.528 -0.023 1
1 89 . 5 1 1 A 15 15 CYS HA H 15 4.499 4.598 -0.099 1
1 90 . 5 1 1 A 15 15 CYS CB C 15 29.802 28.569 1.233 1
1 93 . 5 1 1 A 15 15 CYS C C 15 177.060 176.713 0.347 1
1 94 . 5 1 1 A 16 16 ASN N N 16 130.128 122.249 7.879 1
1 95 . 5 1 1 A 16 16 ASN H H 16 9.375 8.569 0.806 1
1 96 . 5 1 1 A 16 16 ASN CA C 16 55.567 52.481 3.086 1
1 97 . 5 1 1 A 16 16 ASN HA H 16 4.526 4.946 -0.420 1
1 98 . 5 1 1 A 16 16 ASN CB C 16 38.377 38.334 0.043 1
1 104 . 5 1 1 A 16 16 ASN C C 16 175.395 175.168 0.227 1
1 105 . 5 1 1 A 17 17 GLU N N 17 121.112 117.416 3.696 1
1 106 . 5 1 1 A 17 17 GLU H H 17 8.801 7.572 1.229 1
1 107 . 5 1 1 A 17 17 GLU CA C 17 58.384 57.942 0.442 1
1 108 . 5 1 1 A 17 17 GLU HA H 17 4.227 4.288 -0.061 1
1 109 . 5 1 1 A 17 17 GLU CB C 17 29.679 30.341 -0.662 1
1 115 . 5 1 1 A 17 17 GLU C C 17 177.104 178.095 -0.991 1
1 116 . 5 1 1 A 18 18 CYS N N 18 114.836 114.718 0.118 1
1 117 . 5 1 1 A 18 18 CYS H H 18 7.953 8.145 -0.192 1
1 118 . 5 1 1 A 18 18 CYS CA C 18 58.341 59.674 -1.333 1
1 119 . 5 1 1 A 18 18 CYS HA H 18 5.156 4.692 0.464 1
1 120 . 5 1 1 A 18 18 CYS CB C 18 32.523 30.037 2.486 1
1 123 . 5 1 1 A 18 18 CYS C C 18 176.223 175.440 0.783 1
1 124 . 5 1 1 A 19 19 GLY N N 19 113.235 110.283 2.952 1
1 125 . 5 1 1 A 19 19 GLY H H 19 8.138 8.142 -0.004 1
1 126 . 5 1 1 A 19 19 GLY CA C 19 46.304 45.136 1.168 1
1 127 . 5 1 1 A 19 19 GLY HA2 H 19 3.785 4.061 -0.276 1
1 128 . 5 1 1 A 19 19 GLY HA3 H 19 4.241 4.076 0.165 1
1 129 . 5 1 1 A 19 19 GLY C C 19 173.712 174.298 -0.586 1
1 130 . 5 1 1 A 20 20 LYS N N 20 123.349 121.845 1.504 1
1 131 . 5 1 1 A 20 20 LYS H H 20 8.040 7.974 0.066 1
1 132 . 5 1 1 A 20 20 LYS CA C 20 58.424 55.261 3.163 1
1 133 . 5 1 1 A 20 20 LYS HA H 20 3.919 4.449 -0.530 1
1 134 . 5 1 1 A 20 20 LYS CB C 20 33.699 33.324 0.375 1
1 146 . 5 1 1 A 20 20 LYS C C 20 173.678 175.347 -1.669 1
1 147 . 5 1 1 A 21 21 ALA N N 21 124.050 129.891 -5.841 1
1 148 . 5 1 1 A 21 21 ALA H H 21 7.783 8.753 -0.970 1
1 149 . 5 1 1 A 21 21 ALA CA C 21 50.427 50.296 0.131 1
1 150 . 5 1 1 A 21 21 ALA HA H 21 5.135 5.472 -0.337 1
1 151 . 5 1 1 A 21 21 ALA CB C 21 22.453 20.782 1.671 1
1 155 . 5 1 1 A 21 21 ALA C C 21 176.113 176.768 -0.655 1
1 156 . 5 1 1 A 22 22 PHE N N 22 116.580 121.294 -4.714 1
1 157 . 5 1 1 A 22 22 PHE H H 22 8.754 8.951 -0.197 1
1 158 . 5 1 1 A 22 22 PHE CA C 22 57.200 57.249 -0.049 1
1 159 . 5 1 1 A 22 22 PHE HA H 22 4.695 5.059 -0.364 1
1 160 . 5 1 1 A 22 22 PHE CB C 22 44.007 42.252 1.755 1
1 173 . 5 1 1 A 22 22 PHE C C 22 175.166 175.569 -0.403 1
1 174 . 5 1 1 A 23 23 ARG N N 23 120.122 121.557 -1.435 1
1 175 . 5 1 1 A 23 23 ARG H H 23 9.062 8.914 0.148 1
1 176 . 5 1 1 A 23 23 ARG CA C 23 57.935 55.419 2.516 1
1 177 . 5 1 1 A 23 23 ARG HA H 23 4.503 4.756 -0.253 1
1 178 . 5 1 1 A 23 23 ARG CB C 23 31.133 31.495 -0.362 1
1 187 . 5 1 1 A 23 23 ARG C C 23 175.314 174.837 0.477 1
1 188 . 5 1 1 A 24 24 ALA N N 24 118.433 120.671 -2.238 1
1 189 . 5 1 1 A 24 24 ALA H H 24 7.636 7.459 0.177 1
1 190 . 5 1 1 A 24 24 ALA CA C 24 50.400 51.710 -1.310 1
1 191 . 5 1 1 A 24 24 ALA HA H 24 4.860 4.523 0.337 1
1 192 . 5 1 1 A 24 24 ALA CB C 24 21.958 22.398 -0.440 1
1 196 . 5 1 1 A 24 24 ALA C C 24 176.866 177.499 -0.633 1
1 197 . 5 1 1 A 25 25 ARG N N 25 124.787 124.544 0.243 1
1 198 . 5 1 1 A 25 25 ARG H H 25 8.490 8.986 -0.496 1
1 199 . 5 1 1 A 25 25 ARG CA C 25 59.298 59.609 -0.311 1
1 200 . 5 1 1 A 25 25 ARG HA H 25 3.125 3.176 -0.051 1
1 201 . 5 1 1 A 25 25 ARG CB C 25 29.270 29.735 -0.465 1
1 210 . 5 1 1 A 25 25 ARG C C 25 178.954 177.819 1.135 1
1 211 . 5 1 1 A 26 26 SER CA C 26 60.587 61.404 -0.817 1
1 212 . 5 1 1 A 26 26 SER HA H 26 4.057 4.074 -0.017 1
1 213 . 5 1 1 A 26 26 SER CB C 26 61.336 62.411 -1.075 1
1 216 . 5 1 1 A 26 26 SER C C 26 177.007 177.063 -0.056 1
1 217 . 5 1 1 A 27 27 SER N N 27 117.278 116.262 1.016 1
1 218 . 5 1 1 A 27 27 SER H H 27 6.825 7.950 -1.125 1
1 219 . 5 1 1 A 27 27 SER CA C 27 60.701 62.197 -1.496 1
1 220 . 5 1 1 A 27 27 SER HA H 27 4.167 4.114 0.053 1
1 221 . 5 1 1 A 27 27 SER CB C 27 62.349 62.745 -0.396 1
1 224 . 5 1 1 A 27 27 SER C C 27 176.462 175.437 1.025 1
1 225 . 5 1 1 A 28 28 LEU N N 28 123.661 121.281 2.380 1
1 226 . 5 1 1 A 28 28 LEU H H 28 7.171 7.397 -0.226 1
1 227 . 5 1 1 A 28 28 LEU CA C 28 57.758 56.804 0.954 1
1 228 . 5 1 1 A 28 28 LEU HA H 28 3.179 2.342 0.837 1
1 229 . 5 1 1 A 28 28 LEU CB C 28 40.196 41.734 -1.538 1
1 242 . 5 1 1 A 28 28 LEU C C 28 177.102 178.007 -0.905 1
1 243 . 5 1 1 A 29 29 ALA N N 29 121.695 120.774 0.921 1
1 244 . 5 1 1 A 29 29 ALA H H 29 7.996 7.781 0.215 1
1 245 . 5 1 1 A 29 29 ALA CA C 29 55.373 55.297 0.076 1
1 246 . 5 1 1 A 29 29 ALA HA H 29 4.175 3.968 0.207 1
1 247 . 5 1 1 A 29 29 ALA CB C 29 17.751 18.414 -0.663 1
1 251 . 5 1 1 A 29 29 ALA C C 29 181.065 179.855 1.210 1
1 252 . 5 1 1 A 30 30 ILE N N 30 118.797 117.635 1.162 1
1 253 . 5 1 1 A 30 30 ILE H H 30 7.480 8.040 -0.560 1
1 254 . 5 1 1 A 30 30 ILE CA C 30 64.334 64.932 -0.598 1
1 255 . 5 1 1 A 30 30 ILE HA H 30 3.698 3.721 -0.023 1
1 256 . 5 1 1 A 30 30 ILE CB C 30 38.471 37.748 0.723 1
1 269 . 5 1 1 A 30 30 ILE C C 30 178.562 178.378 0.184 1
1 270 . 5 1 1 A 31 31 HIS N N 31 118.999 120.208 -1.209 1
1 271 . 5 1 1 A 31 31 HIS H H 31 7.443 7.980 -0.537 1
1 272 . 5 1 1 A 31 31 HIS CA C 31 59.207 59.853 -0.646 1
1 273 . 5 1 1 A 31 31 HIS HA H 31 4.235 4.214 0.021 1
1 274 . 5 1 1 A 31 31 HIS CB C 31 28.607 30.235 -1.628 1
1 281 . 5 1 1 A 31 31 HIS C C 31 178.221 177.514 0.707 1
1 282 . 5 1 1 A 32 32 GLN N N 32 120.561 117.633 2.928 1
1 283 . 5 1 1 A 32 32 GLN H H 32 9.107 8.255 0.852 1
1 284 . 5 1 1 A 32 32 GLN CA C 32 59.849 58.553 1.296 1
1 285 . 5 1 1 A 32 32 GLN HA H 32 3.717 3.802 -0.085 1
1 286 . 5 1 1 A 32 32 GLN CB C 32 28.269 28.273 -0.004 1
1 295 . 5 1 1 A 32 32 GLN C C 32 177.933 177.439 0.494 1
1 296 . 5 1 1 A 33 33 ALA N N 33 120.580 121.218 -0.638 1
1 297 . 5 1 1 A 33 33 ALA H H 33 7.225 7.194 0.031 1
1 298 . 5 1 1 A 33 33 ALA CA C 33 54.275 53.303 0.972 1
1 299 . 5 1 1 A 33 33 ALA HA H 33 4.223 4.162 0.061 1
1 300 . 5 1 1 A 33 33 ALA CB C 33 18.072 18.101 -0.029 1
1 304 . 5 1 1 A 33 33 ALA C C 33 179.277 177.728 1.549 1
1 305 . 5 1 1 A 34 34 THR N N 34 108.871 111.785 -2.914 1
1 306 . 5 1 1 A 34 34 THR H H 34 7.690 8.268 -0.578 1
1 307 . 5 1 1 A 34 34 THR CA C 34 63.808 63.001 0.807 1
1 308 . 5 1 1 A 34 34 THR HA H 34 4.152 4.412 -0.260 1
1 309 . 5 1 1 A 34 34 THR CB C 34 69.413 70.168 -0.755 1
1 315 . 5 1 1 A 34 34 THR C C 34 175.831 176.254 -0.423 1
1 316 . 5 1 1 A 35 35 HIS N N 35 118.845 117.813 1.032 1
1 317 . 5 1 1 A 35 35 HIS H H 35 7.183 7.492 -0.309 1
1 318 . 5 1 1 A 35 35 HIS CA C 35 55.596 58.368 -2.772 1
1 319 . 5 1 1 A 35 35 HIS HA H 35 4.800 4.407 0.393 1
1 320 . 5 1 1 A 35 35 HIS CB C 35 28.675 31.035 -2.360 1
1 327 . 5 1 1 A 35 35 HIS C C 35 175.495 176.035 -0.540 1
1 328 . 5 1 1 A 36 36 SER N N 36 115.119 114.796 0.323 1
1 329 . 5 1 1 A 36 36 SER H H 36 7.871 7.456 0.415 1
1 330 . 5 1 1 A 36 36 SER CA C 36 58.965 60.227 -1.262 1
1 331 . 5 1 1 A 36 36 SER HA H 36 4.444 4.127 0.317 1
1 332 . 5 1 1 A 36 36 SER CB C 36 63.882 63.465 0.417 1
1 335 . 5 1 1 A 36 36 SER C C 36 175.070 174.891 0.179 1
1 336 . 5 1 1 A 37 37 GLY N N 37 110.906 111.434 -0.528 1
1 337 . 5 1 1 A 37 37 GLY H H 37 8.364 8.470 -0.106 1
1 338 . 5 1 1 A 37 37 GLY CA C 37 45.222 45.277 -0.055 1
1 339 . 5 1 1 A 37 37 GLY HA2 H 37 3.977 4.090 -0.113 1
1 340 . 5 1 1 A 37 37 GLY HA3 H 37 3.901 4.093 -0.192 1
1 341 . 5 1 1 A 37 37 GLY C C 37 174.068 174.513 -0.445 1
1 342 . 5 1 1 A 38 38 GLU N N 38 120.200 111.534 8.666 1
1 343 . 5 1 1 A 38 38 GLU H H 38 8.198 8.442 -0.244 1
1 344 . 5 1 1 A 38 38 GLU CA C 38 56.989 57.708 -0.719 1
1 345 . 5 1 1 A 38 38 GLU HA H 38 4.140 3.936 0.204 1
1 346 . 5 1 1 A 38 38 GLU CB C 38 30.446 27.020 3.426 1
1 352 . 5 1 1 A 38 38 GLU C C 38 176.270 175.219 1.051 1
1 353 . 5 1 1 A 39 39 LYS N N 39 120.907 119.265 1.642 1
1 354 . 5 1 1 A 39 39 LYS H H 39 8.233 8.109 0.124 1
1 355 . 5 1 1 A 39 39 LYS CA C 39 53.740 53.738 0.002 1
1 356 . 5 1 1 A 39 39 LYS HA H 39 4.464 4.792 -0.328 1
1 357 . 5 1 1 A 39 39 LYS CB C 39 33.224 32.709 0.515 1
1 369 . 5 1 1 A 39 39 LYS C C 39 173.830 174.827 -0.997 1
1 370 . 5 1 1 A 40 40 PRO CA C 40 63.189 63.979 -0.790 1
1 371 . 5 1 1 A 40 40 PRO HA H 40 4.462 4.501 -0.039 1
1 372 . 5 1 1 A 40 40 PRO CB C 40 32.177 31.799 0.378 1
1 381 . 5 1 1 A 41 41 SER N N 41 116.632 111.046 5.586 1
1 382 . 5 1 1 A 41 41 SER H H 41 8.507 7.835 0.672 1
1 383 . 5 1 1 A 41 41 SER CA C 41 58.580 57.619 0.961 1
1 384 . 5 1 1 A 41 41 SER HA H 41 4.502 4.405 0.097 1
1 385 . 5 1 1 A 41 41 SER CB C 41 63.908 62.658 1.250 1
1 388 . 5 1 1 A 42 42 GLY N N 42 110.670 108.727 1.943 1
1 389 . 5 1 1 A 42 42 GLY H H 42 8.222 7.936 0.286 1
1 390 . 5 1 1 A 42 42 GLY CA C 42 44.675 45.572 -0.897 1
1 391 . 5 1 1 A 42 42 GLY HA2 H 42 4.151 4.064 0.087 1
1 392 . 5 1 1 A 42 42 GLY HA3 H 42 4.079 4.067 0.012 1
1 393 . 5 1 1 A 43 43 PRO CA C 43 63.074 63.675 -0.601 1
1 394 . 5 1 1 A 43 43 PRO HA H 43 4.462 4.474 -0.012 1
1 395 . 5 1 1 A 43 43 PRO CB C 43 32.165 31.920 0.245 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.936 62.049 -0.113 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.334 4.275 0.059 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.790 70.330 -0.540 1
1 9 . 6 1 1 A 9 9 GLY CA C 9 45.303 46.196 -0.893 1
1 10 . 6 1 1 A 9 9 GLY HA2 H 9 3.975 4.135 -0.160 1
1 11 . 6 1 1 A 9 9 GLY HA3 H 9 3.975 4.138 -0.163 1
1 12 . 6 1 1 A 9 9 GLY C C 9 174.030 173.151 0.879 1
1 13 . 6 1 1 A 10 10 GLU N N 10 120.522 115.555 4.967 1
1 14 . 6 1 1 A 10 10 GLU H H 10 8.138 8.270 -0.132 1
1 15 . 6 1 1 A 10 10 GLU CA C 10 56.348 54.570 1.778 1
1 16 . 6 1 1 A 10 10 GLU HA H 10 4.254 4.915 -0.661 1
1 17 . 6 1 1 A 10 10 GLU CB C 10 30.590 32.923 -2.333 1
1 23 . 6 1 1 A 10 10 GLU C C 10 176.309 174.443 1.866 1
1 24 . 6 1 1 A 11 11 LYS N N 11 123.786 121.500 2.286 1
1 25 . 6 1 1 A 11 11 LYS H H 11 8.422 8.650 -0.228 1
1 26 . 6 1 1 A 11 11 LYS CA C 11 54.092 53.734 0.358 1
1 27 . 6 1 1 A 11 11 LYS HA H 11 4.614 5.082 -0.468 1
1 28 . 6 1 1 A 11 11 LYS CB C 11 32.512 33.194 -0.682 1
1 40 . 6 1 1 A 11 11 LYS C C 11 174.485 175.164 -0.679 1
1 41 . 6 1 1 A 12 12 PRO CA C 12 63.537 65.015 -1.478 1
1 42 . 6 1 1 A 12 12 PRO HA H 12 4.222 4.346 -0.124 1
1 43 . 6 1 1 A 12 12 PRO CB C 12 32.294 31.882 0.412 1
1 52 . 6 1 1 A 12 12 PRO C C 12 176.522 175.975 0.547 1
1 53 . 6 1 1 A 13 13 TYR N N 13 118.425 117.921 0.504 1
1 54 . 6 1 1 A 13 13 TYR H H 13 7.747 7.852 -0.105 1
1 55 . 6 1 1 A 13 13 TYR CA C 13 57.492 57.276 0.216 1
1 56 . 6 1 1 A 13 13 TYR HA H 13 4.643 5.241 -0.598 1
1 57 . 6 1 1 A 13 13 TYR CB C 13 38.298 41.496 -3.198 1
1 68 . 6 1 1 A 13 13 TYR C C 13 174.436 174.534 -0.098 1
1 69 . 6 1 1 A 14 14 LYS N N 14 125.064 122.134 2.930 1
1 70 . 6 1 1 A 14 14 LYS H H 14 8.580 8.836 -0.256 1
1 71 . 6 1 1 A 14 14 LYS CA C 14 55.150 55.339 -0.189 1
1 72 . 6 1 1 A 14 14 LYS HA H 14 4.934 4.929 0.005 1
1 73 . 6 1 1 A 14 14 LYS CB C 14 35.364 36.384 -1.020 1
1 85 . 6 1 1 A 14 14 LYS C C 14 175.164 174.710 0.454 1
1 86 . 6 1 1 A 15 15 CYS N N 15 126.356 124.935 1.421 1
1 87 . 6 1 1 A 15 15 CYS H H 15 9.216 9.309 -0.093 1
1 88 . 6 1 1 A 15 15 CYS CA C 15 59.505 58.614 0.891 1
1 89 . 6 1 1 A 15 15 CYS HA H 15 4.499 4.701 -0.202 1
1 90 . 6 1 1 A 15 15 CYS CB C 15 29.802 28.242 1.560 1
1 93 . 6 1 1 A 15 15 CYS C C 15 177.060 176.432 0.628 1
1 94 . 6 1 1 A 16 16 ASN N N 16 130.128 123.986 6.142 1
1 95 . 6 1 1 A 16 16 ASN H H 16 9.375 9.031 0.344 1
1 96 . 6 1 1 A 16 16 ASN CA C 16 55.567 53.314 2.253 1
1 97 . 6 1 1 A 16 16 ASN HA H 16 4.526 4.729 -0.203 1
1 98 . 6 1 1 A 16 16 ASN CB C 16 38.377 37.132 1.245 1
1 104 . 6 1 1 A 16 16 ASN C C 16 175.395 174.774 0.621 1
1 105 . 6 1 1 A 17 17 GLU N N 17 121.112 117.400 3.712 1
1 106 . 6 1 1 A 17 17 GLU H H 17 8.801 8.098 0.703 1
1 107 . 6 1 1 A 17 17 GLU CA C 17 58.384 57.365 1.019 1
1 108 . 6 1 1 A 17 17 GLU HA H 17 4.227 4.449 -0.222 1
1 109 . 6 1 1 A 17 17 GLU CB C 17 29.679 30.448 -0.769 1
1 115 . 6 1 1 A 17 17 GLU C C 17 177.104 177.985 -0.881 1
1 116 . 6 1 1 A 18 18 CYS N N 18 114.836 114.862 -0.026 1
1 117 . 6 1 1 A 18 18 CYS H H 18 7.953 8.094 -0.141 1
1 118 . 6 1 1 A 18 18 CYS CA C 18 58.341 59.644 -1.303 1
1 119 . 6 1 1 A 18 18 CYS HA H 18 5.156 4.803 0.353 1
1 120 . 6 1 1 A 18 18 CYS CB C 18 32.523 29.899 2.624 1
1 123 . 6 1 1 A 18 18 CYS C C 18 176.223 175.635 0.588 1
1 124 . 6 1 1 A 19 19 GLY N N 19 113.235 110.019 3.216 1
1 125 . 6 1 1 A 19 19 GLY H H 19 8.138 8.110 0.028 1
1 126 . 6 1 1 A 19 19 GLY CA C 19 46.304 45.152 1.152 1
1 127 . 6 1 1 A 19 19 GLY HA2 H 19 3.785 4.076 -0.291 1
1 128 . 6 1 1 A 19 19 GLY HA3 H 19 4.241 4.093 0.148 1
1 129 . 6 1 1 A 19 19 GLY C C 19 173.712 174.111 -0.399 1
1 130 . 6 1 1 A 20 20 LYS N N 20 123.349 121.490 1.859 1
1 131 . 6 1 1 A 20 20 LYS H H 20 8.040 7.849 0.191 1
1 132 . 6 1 1 A 20 20 LYS CA C 20 58.424 54.807 3.617 1
1 133 . 6 1 1 A 20 20 LYS HA H 20 3.919 4.510 -0.591 1
1 134 . 6 1 1 A 20 20 LYS CB C 20 33.699 33.793 -0.094 1
1 146 . 6 1 1 A 20 20 LYS C C 20 173.678 174.972 -1.294 1
1 147 . 6 1 1 A 21 21 ALA N N 21 124.050 129.659 -5.609 1
1 148 . 6 1 1 A 21 21 ALA H H 21 7.783 8.871 -1.088 1
1 149 . 6 1 1 A 21 21 ALA CA C 21 50.427 49.940 0.487 1
1 150 . 6 1 1 A 21 21 ALA HA H 21 5.135 5.821 -0.686 1
1 151 . 6 1 1 A 21 21 ALA CB C 21 22.453 22.547 -0.094 1
1 155 . 6 1 1 A 21 21 ALA C C 21 176.113 176.313 -0.200 1
1 156 . 6 1 1 A 22 22 PHE N N 22 116.580 118.625 -2.045 1
1 157 . 6 1 1 A 22 22 PHE H H 22 8.754 8.881 -0.127 1
1 158 . 6 1 1 A 22 22 PHE CA C 22 57.200 57.119 0.081 1
1 159 . 6 1 1 A 22 22 PHE HA H 22 4.695 4.964 -0.269 1
1 160 . 6 1 1 A 22 22 PHE CB C 22 44.007 43.030 0.977 1
1 173 . 6 1 1 A 22 22 PHE C C 22 175.166 176.387 -1.221 1
1 174 . 6 1 1 A 23 23 ARG N N 23 120.122 121.614 -1.492 1
1 175 . 6 1 1 A 23 23 ARG H H 23 9.062 9.128 -0.066 1
1 176 . 6 1 1 A 23 23 ARG CA C 23 57.935 57.250 0.685 1
1 177 . 6 1 1 A 23 23 ARG HA H 23 4.503 4.504 -0.001 1
1 178 . 6 1 1 A 23 23 ARG CB C 23 31.133 31.799 -0.666 1
1 187 . 6 1 1 A 23 23 ARG C C 23 175.314 176.119 -0.805 1
1 188 . 6 1 1 A 24 24 ALA N N 24 118.433 118.077 0.356 1
1 189 . 6 1 1 A 24 24 ALA H H 24 7.636 7.763 -0.127 1
1 190 . 6 1 1 A 24 24 ALA CA C 24 50.400 50.488 -0.088 1
1 191 . 6 1 1 A 24 24 ALA HA H 24 4.860 4.777 0.083 1
1 192 . 6 1 1 A 24 24 ALA CB C 24 21.958 21.523 0.435 1
1 196 . 6 1 1 A 24 24 ALA C C 24 176.866 177.458 -0.592 1
1 197 . 6 1 1 A 25 25 ARG N N 25 124.787 120.316 4.471 1
1 198 . 6 1 1 A 25 25 ARG H H 25 8.490 8.579 -0.089 1
1 199 . 6 1 1 A 25 25 ARG CA C 25 59.298 59.182 0.116 1
1 200 . 6 1 1 A 25 25 ARG HA H 25 3.125 2.701 0.424 1
1 201 . 6 1 1 A 25 25 ARG CB C 25 29.270 29.811 -0.541 1
1 210 . 6 1 1 A 25 25 ARG C C 25 178.954 177.402 1.552 1
1 211 . 6 1 1 A 26 26 SER CA C 26 60.587 61.190 -0.603 1
1 212 . 6 1 1 A 26 26 SER HA H 26 4.057 4.072 -0.015 1
1 213 . 6 1 1 A 26 26 SER CB C 26 61.336 62.555 -1.219 1
1 216 . 6 1 1 A 26 26 SER C C 26 177.007 176.938 0.069 1
1 217 . 6 1 1 A 27 27 SER N N 27 117.278 116.646 0.632 1
1 218 . 6 1 1 A 27 27 SER H H 27 6.825 7.871 -1.046 1
1 219 . 6 1 1 A 27 27 SER CA C 27 60.701 62.258 -1.557 1
1 220 . 6 1 1 A 27 27 SER HA H 27 4.167 4.041 0.126 1
1 221 . 6 1 1 A 27 27 SER CB C 27 62.349 63.108 -0.759 1
1 224 . 6 1 1 A 27 27 SER C C 27 176.462 175.405 1.057 1
1 225 . 6 1 1 A 28 28 LEU N N 28 123.661 121.849 1.812 1
1 226 . 6 1 1 A 28 28 LEU H H 28 7.171 7.431 -0.260 1
1 227 . 6 1 1 A 28 28 LEU CA C 28 57.758 56.988 0.770 1
1 228 . 6 1 1 A 28 28 LEU HA H 28 3.179 1.653 1.526 1
1 229 . 6 1 1 A 28 28 LEU CB C 28 40.196 40.758 -0.562 1
1 242 . 6 1 1 A 28 28 LEU C C 28 177.102 178.225 -1.123 1
1 243 . 6 1 1 A 29 29 ALA N N 29 121.695 119.973 1.722 1
1 244 . 6 1 1 A 29 29 ALA H H 29 7.996 7.683 0.313 1
1 245 . 6 1 1 A 29 29 ALA CA C 29 55.373 55.205 0.168 1
1 246 . 6 1 1 A 29 29 ALA HA H 29 4.175 3.991 0.184 1
1 247 . 6 1 1 A 29 29 ALA CB C 29 17.751 18.001 -0.250 1
1 251 . 6 1 1 A 29 29 ALA C C 29 181.065 179.787 1.278 1
1 252 . 6 1 1 A 30 30 ILE N N 30 118.797 117.883 0.914 1
1 253 . 6 1 1 A 30 30 ILE H H 30 7.480 7.796 -0.316 1
1 254 . 6 1 1 A 30 30 ILE CA C 30 64.334 64.951 -0.617 1
1 255 . 6 1 1 A 30 30 ILE HA H 30 3.698 3.757 -0.059 1
1 256 . 6 1 1 A 30 30 ILE CB C 30 38.471 37.843 0.628 1
1 269 . 6 1 1 A 30 30 ILE C C 30 178.562 178.555 0.007 1
1 270 . 6 1 1 A 31 31 HIS N N 31 118.999 120.550 -1.551 1
1 271 . 6 1 1 A 31 31 HIS H H 31 7.443 7.750 -0.307 1
1 272 . 6 1 1 A 31 31 HIS CA C 31 59.207 59.626 -0.419 1
1 273 . 6 1 1 A 31 31 HIS HA H 31 4.235 4.338 -0.103 1
1 274 . 6 1 1 A 31 31 HIS CB C 31 28.607 30.200 -1.593 1
1 281 . 6 1 1 A 31 31 HIS C C 31 178.221 177.567 0.654 1
1 282 . 6 1 1 A 32 32 GLN N N 32 120.561 118.113 2.448 1
1 283 . 6 1 1 A 32 32 GLN H H 32 9.107 8.217 0.890 1
1 284 . 6 1 1 A 32 32 GLN CA C 32 59.849 58.555 1.294 1
1 285 . 6 1 1 A 32 32 GLN HA H 32 3.717 3.789 -0.072 1
1 286 . 6 1 1 A 32 32 GLN CB C 32 28.269 28.224 0.045 1
1 295 . 6 1 1 A 32 32 GLN C C 32 177.933 177.425 0.508 1
1 296 . 6 1 1 A 33 33 ALA N N 33 120.580 121.412 -0.832 1
1 297 . 6 1 1 A 33 33 ALA H H 33 7.225 7.250 -0.025 1
1 298 . 6 1 1 A 33 33 ALA CA C 33 54.275 53.362 0.913 1
1 299 . 6 1 1 A 33 33 ALA HA H 33 4.223 4.172 0.051 1
1 300 . 6 1 1 A 33 33 ALA CB C 33 18.072 18.111 -0.039 1
1 304 . 6 1 1 A 33 33 ALA C C 33 179.277 178.186 1.091 1
1 305 . 6 1 1 A 34 34 THR N N 34 108.871 111.763 -2.892 1
1 306 . 6 1 1 A 34 34 THR H H 34 7.690 8.155 -0.465 1
1 307 . 6 1 1 A 34 34 THR CA C 34 63.808 64.031 -0.223 1
1 308 . 6 1 1 A 34 34 THR HA H 34 4.152 4.481 -0.329 1
1 309 . 6 1 1 A 34 34 THR CB C 34 69.413 70.255 -0.842 1
1 315 . 6 1 1 A 34 34 THR C C 34 175.831 174.744 1.087 1
1 316 . 6 1 1 A 35 35 HIS N N 35 118.845 119.280 -0.435 1
1 317 . 6 1 1 A 35 35 HIS H H 35 7.183 7.669 -0.486 1
1 318 . 6 1 1 A 35 35 HIS CA C 35 55.596 55.636 -0.040 1
1 319 . 6 1 1 A 35 35 HIS HA H 35 4.800 4.465 0.335 1
1 320 . 6 1 1 A 35 35 HIS CB C 35 28.675 28.588 0.087 1
1 327 . 6 1 1 A 35 35 HIS C C 35 175.495 175.117 0.378 1
1 328 . 6 1 1 A 36 36 SER N N 36 115.119 120.441 -5.322 1
1 329 . 6 1 1 A 36 36 SER H H 36 7.871 8.392 -0.521 1
1 330 . 6 1 1 A 36 36 SER CA C 36 58.965 59.416 -0.451 1
1 331 . 6 1 1 A 36 36 SER HA H 36 4.444 4.163 0.281 1
1 332 . 6 1 1 A 36 36 SER CB C 36 63.882 63.229 0.653 1
1 335 . 6 1 1 A 36 36 SER C C 36 175.070 174.756 0.314 1
1 336 . 6 1 1 A 37 37 GLY N N 37 110.906 109.454 1.452 1
1 337 . 6 1 1 A 37 37 GLY H H 37 8.364 8.653 -0.289 1
1 338 . 6 1 1 A 37 37 GLY CA C 37 45.222 45.662 -0.440 1
1 339 . 6 1 1 A 37 37 GLY HA2 H 37 3.977 4.021 -0.044 1
1 340 . 6 1 1 A 37 37 GLY HA3 H 37 3.901 4.024 -0.123 1
1 341 . 6 1 1 A 37 37 GLY C C 37 174.068 173.302 0.766 1
1 342 . 6 1 1 A 38 38 GLU N N 38 120.200 123.574 -3.374 1
1 343 . 6 1 1 A 38 38 GLU H H 38 8.198 8.172 0.026 1
1 344 . 6 1 1 A 38 38 GLU CA C 38 56.989 55.109 1.880 1
1 345 . 6 1 1 A 38 38 GLU HA H 38 4.140 4.472 -0.332 1
1 346 . 6 1 1 A 38 38 GLU CB C 38 30.446 29.822 0.624 1
1 352 . 6 1 1 A 38 38 GLU C C 38 176.270 175.018 1.252 1
1 353 . 6 1 1 A 39 39 LYS N N 39 120.907 126.946 -6.039 1
1 354 . 6 1 1 A 39 39 LYS H H 39 8.233 8.659 -0.426 1
1 355 . 6 1 1 A 39 39 LYS CA C 39 53.740 52.928 0.812 1
1 356 . 6 1 1 A 39 39 LYS HA H 39 4.464 4.982 -0.518 1
1 357 . 6 1 1 A 39 39 LYS CB C 39 33.224 33.456 -0.232 1
1 369 . 6 1 1 A 39 39 LYS C C 39 173.830 174.828 -0.998 1
1 370 . 6 1 1 A 40 40 PRO CA C 40 63.189 64.003 -0.814 1
1 371 . 6 1 1 A 40 40 PRO HA H 40 4.462 4.464 -0.002 1
1 372 . 6 1 1 A 40 40 PRO CB C 40 32.177 31.663 0.514 1
1 381 . 6 1 1 A 41 41 SER N N 41 116.632 112.930 3.702 1
1 382 . 6 1 1 A 41 41 SER H H 41 8.507 8.065 0.442 1
1 383 . 6 1 1 A 41 41 SER CA C 41 58.580 60.011 -1.431 1
1 384 . 6 1 1 A 41 41 SER HA H 41 4.502 4.446 0.056 1
1 385 . 6 1 1 A 41 41 SER CB C 41 63.908 63.928 -0.020 1
1 388 . 6 1 1 A 42 42 GLY N N 42 110.670 107.387 3.283 1
1 389 . 6 1 1 A 42 42 GLY H H 42 8.222 7.303 0.919 1
1 390 . 6 1 1 A 42 42 GLY CA C 42 44.675 45.644 -0.969 1
1 391 . 6 1 1 A 42 42 GLY HA2 H 42 4.151 4.104 0.047 1
1 392 . 6 1 1 A 42 42 GLY HA3 H 42 4.079 4.104 -0.025 1
1 393 . 6 1 1 A 43 43 PRO CA C 43 63.074 62.694 0.380 1
1 394 . 6 1 1 A 43 43 PRO HA H 43 4.462 4.814 -0.352 1
1 395 . 6 1 1 A 43 43 PRO CB C 43 32.165 32.364 -0.199 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.936 60.998 0.938 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.334 4.304 0.030 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.790 70.324 -0.534 1
1 9 . 7 1 1 A 9 9 GLY CA C 9 45.303 44.857 0.446 1
1 10 . 7 1 1 A 9 9 GLY HA2 H 9 3.975 4.066 -0.091 1
1 11 . 7 1 1 A 9 9 GLY HA3 H 9 3.975 4.070 -0.095 1
1 12 . 7 1 1 A 9 9 GLY C C 9 174.030 173.882 0.148 1
1 13 . 7 1 1 A 10 10 GLU N N 10 120.522 118.675 1.847 1
1 14 . 7 1 1 A 10 10 GLU H H 10 8.138 8.568 -0.430 1
1 15 . 7 1 1 A 10 10 GLU CA C 10 56.348 55.628 0.720 1
1 16 . 7 1 1 A 10 10 GLU HA H 10 4.254 4.701 -0.447 1
1 17 . 7 1 1 A 10 10 GLU CB C 10 30.590 30.338 0.252 1
1 23 . 7 1 1 A 10 10 GLU C C 10 176.309 175.257 1.052 1
1 24 . 7 1 1 A 11 11 LYS N N 11 123.786 115.411 8.375 1
1 25 . 7 1 1 A 11 11 LYS H H 11 8.422 7.949 0.473 1
1 26 . 7 1 1 A 11 11 LYS CA C 11 54.092 56.920 -2.828 1
1 27 . 7 1 1 A 11 11 LYS HA H 11 4.614 3.904 0.710 1
1 28 . 7 1 1 A 11 11 LYS CB C 11 32.512 30.473 2.039 1
1 40 . 7 1 1 A 11 11 LYS C C 11 174.485 176.774 -2.289 1
1 41 . 7 1 1 A 12 12 PRO CA C 12 63.537 64.964 -1.427 1
1 42 . 7 1 1 A 12 12 PRO HA H 12 4.222 4.278 -0.056 1
1 43 . 7 1 1 A 12 12 PRO CB C 12 32.294 31.867 0.427 1
1 52 . 7 1 1 A 12 12 PRO C C 12 176.522 175.865 0.657 1
1 53 . 7 1 1 A 13 13 TYR N N 13 118.425 116.885 1.540 1
1 54 . 7 1 1 A 13 13 TYR H H 13 7.747 7.615 0.132 1
1 55 . 7 1 1 A 13 13 TYR CA C 13 57.492 56.368 1.124 1
1 56 . 7 1 1 A 13 13 TYR HA H 13 4.643 5.272 -0.629 1
1 57 . 7 1 1 A 13 13 TYR CB C 13 38.298 43.241 -4.943 1
1 68 . 7 1 1 A 13 13 TYR C C 13 174.436 174.188 0.248 1
1 69 . 7 1 1 A 14 14 LYS N N 14 125.064 122.242 2.822 1
1 70 . 7 1 1 A 14 14 LYS H H 14 8.580 8.874 -0.294 1
1 71 . 7 1 1 A 14 14 LYS CA C 14 55.150 56.145 -0.995 1
1 72 . 7 1 1 A 14 14 LYS HA H 14 4.934 5.202 -0.268 1
1 73 . 7 1 1 A 14 14 LYS CB C 14 35.364 36.910 -1.546 1
1 85 . 7 1 1 A 14 14 LYS C C 14 175.164 174.283 0.881 1
1 86 . 7 1 1 A 15 15 CYS N N 15 126.356 123.956 2.400 1
1 87 . 7 1 1 A 15 15 CYS H H 15 9.216 9.179 0.037 1
1 88 . 7 1 1 A 15 15 CYS CA C 15 59.505 57.818 1.687 1
1 89 . 7 1 1 A 15 15 CYS HA H 15 4.499 4.840 -0.341 1
1 90 . 7 1 1 A 15 15 CYS CB C 15 29.802 28.877 0.925 1
1 93 . 7 1 1 A 15 15 CYS C C 15 177.060 175.995 1.065 1
1 94 . 7 1 1 A 16 16 ASN N N 16 130.128 123.895 6.233 1
1 95 . 7 1 1 A 16 16 ASN H H 16 9.375 8.997 0.378 1
1 96 . 7 1 1 A 16 16 ASN CA C 16 55.567 53.190 2.377 1
1 97 . 7 1 1 A 16 16 ASN HA H 16 4.526 4.672 -0.146 1
1 98 . 7 1 1 A 16 16 ASN CB C 16 38.377 37.716 0.661 1
1 104 . 7 1 1 A 16 16 ASN C C 16 175.395 174.373 1.022 1
1 105 . 7 1 1 A 17 17 GLU N N 17 121.112 117.583 3.529 1
1 106 . 7 1 1 A 17 17 GLU H H 17 8.801 8.001 0.800 1
1 107 . 7 1 1 A 17 17 GLU CA C 17 58.384 57.169 1.215 1
1 108 . 7 1 1 A 17 17 GLU HA H 17 4.227 4.552 -0.325 1
1 109 . 7 1 1 A 17 17 GLU CB C 17 29.679 32.263 -2.584 1
1 115 . 7 1 1 A 17 17 GLU C C 17 177.104 177.832 -0.728 1
1 116 . 7 1 1 A 18 18 CYS N N 18 114.836 114.872 -0.036 1
1 117 . 7 1 1 A 18 18 CYS H H 18 7.953 8.120 -0.167 1
1 118 . 7 1 1 A 18 18 CYS CA C 18 58.341 59.641 -1.300 1
1 119 . 7 1 1 A 18 18 CYS HA H 18 5.156 4.744 0.412 1
1 120 . 7 1 1 A 18 18 CYS CB C 18 32.523 29.947 2.576 1
1 123 . 7 1 1 A 18 18 CYS C C 18 176.223 175.438 0.785 1
1 124 . 7 1 1 A 19 19 GLY N N 19 113.235 109.877 3.358 1
1 125 . 7 1 1 A 19 19 GLY H H 19 8.138 8.063 0.075 1
1 126 . 7 1 1 A 19 19 GLY CA C 19 46.304 45.305 0.999 1
1 127 . 7 1 1 A 19 19 GLY HA2 H 19 3.785 4.051 -0.266 1
1 128 . 7 1 1 A 19 19 GLY HA3 H 19 4.241 4.056 0.185 1
1 129 . 7 1 1 A 19 19 GLY C C 19 173.712 174.249 -0.537 1
1 130 . 7 1 1 A 20 20 LYS N N 20 123.349 119.523 3.826 1
1 131 . 7 1 1 A 20 20 LYS H H 20 8.040 7.805 0.235 1
1 132 . 7 1 1 A 20 20 LYS CA C 20 58.424 54.968 3.456 1
1 133 . 7 1 1 A 20 20 LYS HA H 20 3.919 4.176 -0.257 1
1 134 . 7 1 1 A 20 20 LYS CB C 20 33.699 32.799 0.900 1
1 146 . 7 1 1 A 20 20 LYS C C 20 173.678 174.705 -1.027 1
1 147 . 7 1 1 A 21 21 ALA N N 21 124.050 128.793 -4.743 1
1 148 . 7 1 1 A 21 21 ALA H H 21 7.783 8.699 -0.916 1
1 149 . 7 1 1 A 21 21 ALA CA C 21 50.427 50.168 0.259 1
1 150 . 7 1 1 A 21 21 ALA HA H 21 5.135 5.278 -0.143 1
1 151 . 7 1 1 A 21 21 ALA CB C 21 22.453 20.987 1.466 1
1 155 . 7 1 1 A 21 21 ALA C C 21 176.113 176.236 -0.123 1
1 156 . 7 1 1 A 22 22 PHE N N 22 116.580 119.190 -2.610 1
1 157 . 7 1 1 A 22 22 PHE H H 22 8.754 9.057 -0.303 1
1 158 . 7 1 1 A 22 22 PHE CA C 22 57.200 56.253 0.947 1
1 159 . 7 1 1 A 22 22 PHE HA H 22 4.695 4.997 -0.302 1
1 160 . 7 1 1 A 22 22 PHE CB C 22 44.007 42.344 1.663 1
1 173 . 7 1 1 A 22 22 PHE C C 22 175.166 175.979 -0.813 1
1 174 . 7 1 1 A 23 23 ARG N N 23 120.122 121.945 -1.823 1
1 175 . 7 1 1 A 23 23 ARG H H 23 9.062 8.988 0.074 1
1 176 . 7 1 1 A 23 23 ARG CA C 23 57.935 57.521 0.414 1
1 177 . 7 1 1 A 23 23 ARG HA H 23 4.503 4.490 0.013 1
1 178 . 7 1 1 A 23 23 ARG CB C 23 31.133 31.025 0.108 1
1 187 . 7 1 1 A 23 23 ARG C C 23 175.314 176.174 -0.860 1
1 188 . 7 1 1 A 24 24 ALA N N 24 118.433 120.122 -1.689 1
1 189 . 7 1 1 A 24 24 ALA H H 24 7.636 7.879 -0.243 1
1 190 . 7 1 1 A 24 24 ALA CA C 24 50.400 50.469 -0.069 1
1 191 . 7 1 1 A 24 24 ALA HA H 24 4.860 4.726 0.134 1
1 192 . 7 1 1 A 24 24 ALA CB C 24 21.958 21.547 0.411 1
1 196 . 7 1 1 A 24 24 ALA C C 24 176.866 177.683 -0.817 1
1 197 . 7 1 1 A 25 25 ARG N N 25 124.787 120.793 3.994 1
1 198 . 7 1 1 A 25 25 ARG H H 25 8.490 8.795 -0.305 1
1 199 . 7 1 1 A 25 25 ARG CA C 25 59.298 59.024 0.274 1
1 200 . 7 1 1 A 25 25 ARG HA H 25 3.125 2.202 0.923 1
1 201 . 7 1 1 A 25 25 ARG CB C 25 29.270 29.767 -0.497 1
1 210 . 7 1 1 A 25 25 ARG C C 25 178.954 177.252 1.702 1
1 211 . 7 1 1 A 26 26 SER CA C 26 60.587 61.596 -1.009 1
1 212 . 7 1 1 A 26 26 SER HA H 26 4.057 4.004 0.053 1
1 213 . 7 1 1 A 26 26 SER CB C 26 61.336 62.963 -1.627 1
1 216 . 7 1 1 A 26 26 SER C C 26 177.007 177.140 -0.133 1
1 217 . 7 1 1 A 27 27 SER N N 27 117.278 116.971 0.307 1
1 218 . 7 1 1 A 27 27 SER H H 27 6.825 7.961 -1.136 1
1 219 . 7 1 1 A 27 27 SER CA C 27 60.701 62.303 -1.602 1
1 220 . 7 1 1 A 27 27 SER HA H 27 4.167 4.208 -0.041 1
1 221 . 7 1 1 A 27 27 SER CB C 27 62.349 62.840 -0.491 1
1 224 . 7 1 1 A 27 27 SER C C 27 176.462 175.727 0.735 1
1 225 . 7 1 1 A 28 28 LEU N N 28 123.661 121.377 2.284 1
1 226 . 7 1 1 A 28 28 LEU H H 28 7.171 7.453 -0.282 1
1 227 . 7 1 1 A 28 28 LEU CA C 28 57.758 56.664 1.094 1
1 228 . 7 1 1 A 28 28 LEU HA H 28 3.179 1.838 1.341 1
1 229 . 7 1 1 A 28 28 LEU CB C 28 40.196 41.236 -1.040 1
1 242 . 7 1 1 A 28 28 LEU C C 28 177.102 177.901 -0.799 1
1 243 . 7 1 1 A 29 29 ALA N N 29 121.695 120.731 0.964 1
1 244 . 7 1 1 A 29 29 ALA H H 29 7.996 7.887 0.109 1
1 245 . 7 1 1 A 29 29 ALA CA C 29 55.373 55.294 0.079 1
1 246 . 7 1 1 A 29 29 ALA HA H 29 4.175 3.960 0.215 1
1 247 . 7 1 1 A 29 29 ALA CB C 29 17.751 18.411 -0.660 1
1 251 . 7 1 1 A 29 29 ALA C C 29 181.065 179.905 1.160 1
1 252 . 7 1 1 A 30 30 ILE N N 30 118.797 117.687 1.110 1
1 253 . 7 1 1 A 30 30 ILE H H 30 7.480 8.006 -0.526 1
1 254 . 7 1 1 A 30 30 ILE CA C 30 64.334 65.059 -0.725 1
1 255 . 7 1 1 A 30 30 ILE HA H 30 3.698 3.748 -0.050 1
1 256 . 7 1 1 A 30 30 ILE CB C 30 38.471 37.830 0.641 1
1 269 . 7 1 1 A 30 30 ILE C C 30 178.562 178.474 0.088 1
1 270 . 7 1 1 A 31 31 HIS N N 31 118.999 119.424 -0.425 1
1 271 . 7 1 1 A 31 31 HIS H H 31 7.443 8.080 -0.637 1
1 272 . 7 1 1 A 31 31 HIS CA C 31 59.207 59.600 -0.393 1
1 273 . 7 1 1 A 31 31 HIS HA H 31 4.235 4.301 -0.066 1
1 274 . 7 1 1 A 31 31 HIS CB C 31 28.607 29.946 -1.339 1
1 281 . 7 1 1 A 31 31 HIS C C 31 178.221 177.267 0.954 1
1 282 . 7 1 1 A 32 32 GLN N N 32 120.561 117.640 2.921 1
1 283 . 7 1 1 A 32 32 GLN H H 32 9.107 8.499 0.608 1
1 284 . 7 1 1 A 32 32 GLN CA C 32 59.849 58.726 1.123 1
1 285 . 7 1 1 A 32 32 GLN HA H 32 3.717 3.917 -0.200 1
1 286 . 7 1 1 A 32 32 GLN CB C 32 28.269 28.227 0.042 1
1 295 . 7 1 1 A 32 32 GLN C C 32 177.933 177.472 0.461 1
1 296 . 7 1 1 A 33 33 ALA N N 33 120.580 121.138 -0.558 1
1 297 . 7 1 1 A 33 33 ALA H H 33 7.225 7.368 -0.143 1
1 298 . 7 1 1 A 33 33 ALA CA C 33 54.275 53.021 1.254 1
1 299 . 7 1 1 A 33 33 ALA HA H 33 4.223 4.221 0.002 1
1 300 . 7 1 1 A 33 33 ALA CB C 33 18.072 17.861 0.211 1
1 304 . 7 1 1 A 33 33 ALA C C 33 179.277 177.932 1.345 1
1 305 . 7 1 1 A 34 34 THR N N 34 108.871 112.020 -3.149 1
1 306 . 7 1 1 A 34 34 THR H H 34 7.690 8.343 -0.653 1
1 307 . 7 1 1 A 34 34 THR CA C 34 63.808 63.634 0.174 1
1 308 . 7 1 1 A 34 34 THR HA H 34 4.152 4.493 -0.341 1
1 309 . 7 1 1 A 34 34 THR CB C 34 69.413 70.894 -1.481 1
1 315 . 7 1 1 A 34 34 THR C C 34 175.831 175.569 0.262 1
1 316 . 7 1 1 A 35 35 HIS N N 35 118.845 116.496 2.349 1
1 317 . 7 1 1 A 35 35 HIS H H 35 7.183 7.715 -0.532 1
1 318 . 7 1 1 A 35 35 HIS CA C 35 55.596 54.447 1.149 1
1 319 . 7 1 1 A 35 35 HIS HA H 35 4.800 4.720 0.080 1
1 320 . 7 1 1 A 35 35 HIS CB C 35 28.675 28.088 0.587 1
1 327 . 7 1 1 A 35 35 HIS C C 35 175.495 174.972 0.523 1
1 328 . 7 1 1 A 36 36 SER N N 36 115.119 116.761 -1.642 1
1 329 . 7 1 1 A 36 36 SER H H 36 7.871 7.507 0.364 1
1 330 . 7 1 1 A 36 36 SER CA C 36 58.965 58.961 0.004 1
1 331 . 7 1 1 A 36 36 SER HA H 36 4.444 4.292 0.152 1
1 332 . 7 1 1 A 36 36 SER CB C 36 63.882 63.957 -0.075 1
1 335 . 7 1 1 A 36 36 SER C C 36 175.070 174.841 0.229 1
1 336 . 7 1 1 A 37 37 GLY N N 37 110.906 112.039 -1.133 1
1 337 . 7 1 1 A 37 37 GLY H H 37 8.364 8.595 -0.231 1
1 338 . 7 1 1 A 37 37 GLY CA C 37 45.222 45.956 -0.734 1
1 339 . 7 1 1 A 37 37 GLY HA2 H 37 3.977 3.965 0.012 1
1 340 . 7 1 1 A 37 37 GLY HA3 H 37 3.901 3.972 -0.071 1
1 341 . 7 1 1 A 37 37 GLY C C 37 174.068 172.907 1.161 1
1 342 . 7 1 1 A 38 38 GLU N N 38 120.200 124.663 -4.463 1
1 343 . 7 1 1 A 38 38 GLU H H 38 8.198 8.821 -0.623 1
1 344 . 7 1 1 A 38 38 GLU CA C 38 56.989 56.023 0.966 1
1 345 . 7 1 1 A 38 38 GLU HA H 38 4.140 4.557 -0.417 1
1 346 . 7 1 1 A 38 38 GLU CB C 38 30.446 32.150 -1.704 1
1 352 . 7 1 1 A 38 38 GLU C C 38 176.270 175.306 0.964 1
1 353 . 7 1 1 A 39 39 LYS N N 39 120.907 125.083 -4.176 1
1 354 . 7 1 1 A 39 39 LYS H H 39 8.233 8.764 -0.531 1
1 355 . 7 1 1 A 39 39 LYS CA C 39 53.740 56.938 -3.198 1
1 356 . 7 1 1 A 39 39 LYS HA H 39 4.464 3.805 0.659 1
1 357 . 7 1 1 A 39 39 LYS CB C 39 33.224 30.788 2.436 1
1 369 . 7 1 1 A 39 39 LYS C C 39 173.830 174.810 -0.980 1
1 370 . 7 1 1 A 40 40 PRO CA C 40 63.189 62.763 0.426 1
1 371 . 7 1 1 A 40 40 PRO HA H 40 4.462 4.767 -0.305 1
1 372 . 7 1 1 A 40 40 PRO CB C 40 32.177 31.998 0.179 1
1 381 . 7 1 1 A 41 41 SER N N 41 116.632 113.661 2.971 1
1 382 . 7 1 1 A 41 41 SER H H 41 8.507 8.564 -0.057 1
1 383 . 7 1 1 A 41 41 SER CA C 41 58.580 57.098 1.482 1
1 384 . 7 1 1 A 41 41 SER HA H 41 4.502 5.095 -0.593 1
1 385 . 7 1 1 A 41 41 SER CB C 41 63.908 66.343 -2.435 1
1 388 . 7 1 1 A 42 42 GLY N N 42 110.670 109.604 1.066 1
1 389 . 7 1 1 A 42 42 GLY H H 42 8.222 8.493 -0.271 1
1 390 . 7 1 1 A 42 42 GLY CA C 42 44.675 45.524 -0.849 1
1 391 . 7 1 1 A 42 42 GLY HA2 H 42 4.151 4.227 -0.076 1
1 392 . 7 1 1 A 42 42 GLY HA3 H 42 4.079 4.228 -0.149 1
1 393 . 7 1 1 A 43 43 PRO CA C 43 63.074 62.884 0.190 1
1 394 . 7 1 1 A 43 43 PRO HA H 43 4.462 4.698 -0.236 1
1 395 . 7 1 1 A 43 43 PRO CB C 43 32.165 31.770 0.395 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.936 62.483 -0.547 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.334 4.278 0.056 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.790 69.335 0.455 1
1 9 . 8 1 1 A 9 9 GLY CA C 9 45.303 44.245 1.058 1
1 10 . 8 1 1 A 9 9 GLY HA2 H 9 3.975 4.224 -0.249 1
1 11 . 8 1 1 A 9 9 GLY HA3 H 9 3.975 4.224 -0.249 1
1 12 . 8 1 1 A 9 9 GLY C C 9 174.030 172.735 1.295 1
1 13 . 8 1 1 A 10 10 GLU N N 10 120.522 120.633 -0.111 1
1 14 . 8 1 1 A 10 10 GLU H H 10 8.138 8.541 -0.403 1
1 15 . 8 1 1 A 10 10 GLU CA C 10 56.348 56.048 0.300 1
1 16 . 8 1 1 A 10 10 GLU HA H 10 4.254 4.462 -0.208 1
1 17 . 8 1 1 A 10 10 GLU CB C 10 30.590 30.531 0.059 1
1 23 . 8 1 1 A 10 10 GLU C C 10 176.309 176.903 -0.594 1
1 24 . 8 1 1 A 11 11 LYS N N 11 123.786 122.169 1.617 1
1 25 . 8 1 1 A 11 11 LYS H H 11 8.422 8.517 -0.095 1
1 26 . 8 1 1 A 11 11 LYS CA C 11 54.092 53.712 0.380 1
1 27 . 8 1 1 A 11 11 LYS HA H 11 4.614 4.882 -0.268 1
1 28 . 8 1 1 A 11 11 LYS CB C 11 32.512 33.782 -1.270 1
1 40 . 8 1 1 A 11 11 LYS C C 11 174.485 176.339 -1.854 1
1 41 . 8 1 1 A 12 12 PRO CA C 12 63.537 64.903 -1.366 1
1 42 . 8 1 1 A 12 12 PRO HA H 12 4.222 4.515 -0.293 1
1 43 . 8 1 1 A 12 12 PRO CB C 12 32.294 32.466 -0.172 1
1 52 . 8 1 1 A 12 12 PRO C C 12 176.522 176.396 0.126 1
1 53 . 8 1 1 A 13 13 TYR N N 13 118.425 117.965 0.460 1
1 54 . 8 1 1 A 13 13 TYR H H 13 7.747 7.217 0.530 1
1 55 . 8 1 1 A 13 13 TYR CA C 13 57.492 56.276 1.216 1
1 56 . 8 1 1 A 13 13 TYR HA H 13 4.643 5.360 -0.717 1
1 57 . 8 1 1 A 13 13 TYR CB C 13 38.298 43.037 -4.739 1
1 68 . 8 1 1 A 13 13 TYR C C 13 174.436 174.479 -0.043 1
1 69 . 8 1 1 A 14 14 LYS N N 14 125.064 121.163 3.901 1
1 70 . 8 1 1 A 14 14 LYS H H 14 8.580 8.738 -0.158 1
1 71 . 8 1 1 A 14 14 LYS CA C 14 55.150 55.891 -0.741 1
1 72 . 8 1 1 A 14 14 LYS HA H 14 4.934 4.868 0.066 1
1 73 . 8 1 1 A 14 14 LYS CB C 14 35.364 36.408 -1.044 1
1 85 . 8 1 1 A 14 14 LYS C C 14 175.164 174.200 0.964 1
1 86 . 8 1 1 A 15 15 CYS N N 15 126.356 124.126 2.230 1
1 87 . 8 1 1 A 15 15 CYS H H 15 9.216 9.065 0.151 1
1 88 . 8 1 1 A 15 15 CYS CA C 15 59.505 59.579 -0.074 1
1 89 . 8 1 1 A 15 15 CYS HA H 15 4.499 4.728 -0.229 1
1 90 . 8 1 1 A 15 15 CYS CB C 15 29.802 28.639 1.163 1
1 93 . 8 1 1 A 15 15 CYS C C 15 177.060 176.544 0.516 1
1 94 . 8 1 1 A 16 16 ASN N N 16 130.128 122.000 8.128 1
1 95 . 8 1 1 A 16 16 ASN H H 16 9.375 8.572 0.803 1
1 96 . 8 1 1 A 16 16 ASN CA C 16 55.567 52.574 2.993 1
1 97 . 8 1 1 A 16 16 ASN HA H 16 4.526 4.965 -0.439 1
1 98 . 8 1 1 A 16 16 ASN CB C 16 38.377 38.441 -0.064 1
1 104 . 8 1 1 A 16 16 ASN C C 16 175.395 175.713 -0.318 1
1 105 . 8 1 1 A 17 17 GLU N N 17 121.112 117.476 3.636 1
1 106 . 8 1 1 A 17 17 GLU H H 17 8.801 7.614 1.187 1
1 107 . 8 1 1 A 17 17 GLU CA C 17 58.384 58.147 0.237 1
1 108 . 8 1 1 A 17 17 GLU HA H 17 4.227 4.269 -0.042 1
1 109 . 8 1 1 A 17 17 GLU CB C 17 29.679 30.265 -0.586 1
1 115 . 8 1 1 A 17 17 GLU C C 17 177.104 178.158 -1.054 1
1 116 . 8 1 1 A 18 18 CYS N N 18 114.836 114.850 -0.014 1
1 117 . 8 1 1 A 18 18 CYS H H 18 7.953 8.174 -0.221 1
1 118 . 8 1 1 A 18 18 CYS CA C 18 58.341 59.840 -1.499 1
1 119 . 8 1 1 A 18 18 CYS HA H 18 5.156 4.737 0.419 1
1 120 . 8 1 1 A 18 18 CYS CB C 18 32.523 29.878 2.645 1
1 123 . 8 1 1 A 18 18 CYS C C 18 176.223 175.566 0.657 1
1 124 . 8 1 1 A 19 19 GLY N N 19 113.235 110.105 3.130 1
1 125 . 8 1 1 A 19 19 GLY H H 19 8.138 8.127 0.011 1
1 126 . 8 1 1 A 19 19 GLY CA C 19 46.304 45.065 1.239 1
1 127 . 8 1 1 A 19 19 GLY HA2 H 19 3.785 4.077 -0.292 1
1 128 . 8 1 1 A 19 19 GLY HA3 H 19 4.241 4.102 0.139 1
1 129 . 8 1 1 A 19 19 GLY C C 19 173.712 174.566 -0.854 1
1 130 . 8 1 1 A 20 20 LYS N N 20 123.349 120.229 3.120 1
1 131 . 8 1 1 A 20 20 LYS H H 20 8.040 7.176 0.864 1
1 132 . 8 1 1 A 20 20 LYS CA C 20 58.424 56.159 2.265 1
1 133 . 8 1 1 A 20 20 LYS HA H 20 3.919 4.098 -0.179 1
1 134 . 8 1 1 A 20 20 LYS CB C 20 33.699 32.705 0.994 1
1 146 . 8 1 1 A 20 20 LYS C C 20 173.678 175.599 -1.921 1
1 147 . 8 1 1 A 21 21 ALA N N 21 124.050 128.177 -4.127 1
1 148 . 8 1 1 A 21 21 ALA H H 21 7.783 8.423 -0.640 1
1 149 . 8 1 1 A 21 21 ALA CA C 21 50.427 50.426 0.001 1
1 150 . 8 1 1 A 21 21 ALA HA H 21 5.135 4.889 0.246 1
1 151 . 8 1 1 A 21 21 ALA CB C 21 22.453 20.102 2.351 1
1 155 . 8 1 1 A 21 21 ALA C C 21 176.113 176.703 -0.590 1
1 156 . 8 1 1 A 22 22 PHE N N 22 116.580 120.935 -4.355 1
1 157 . 8 1 1 A 22 22 PHE H H 22 8.754 9.289 -0.535 1
1 158 . 8 1 1 A 22 22 PHE CA C 22 57.200 56.948 0.252 1
1 159 . 8 1 1 A 22 22 PHE HA H 22 4.695 5.155 -0.460 1
1 160 . 8 1 1 A 22 22 PHE CB C 22 44.007 42.614 1.393 1
1 173 . 8 1 1 A 22 22 PHE C C 22 175.166 175.458 -0.292 1
1 174 . 8 1 1 A 23 23 ARG N N 23 120.122 119.903 0.219 1
1 175 . 8 1 1 A 23 23 ARG H H 23 9.062 8.998 0.064 1
1 176 . 8 1 1 A 23 23 ARG CA C 23 57.935 55.394 2.541 1
1 177 . 8 1 1 A 23 23 ARG HA H 23 4.503 4.646 -0.143 1
1 178 . 8 1 1 A 23 23 ARG CB C 23 31.133 30.951 0.182 1
1 187 . 8 1 1 A 23 23 ARG C C 23 175.314 174.808 0.506 1
1 188 . 8 1 1 A 24 24 ALA N N 24 118.433 119.794 -1.361 1
1 189 . 8 1 1 A 24 24 ALA H H 24 7.636 7.345 0.291 1
1 190 . 8 1 1 A 24 24 ALA CA C 24 50.400 51.860 -1.460 1
1 191 . 8 1 1 A 24 24 ALA HA H 24 4.860 4.387 0.473 1
1 192 . 8 1 1 A 24 24 ALA CB C 24 21.958 22.506 -0.548 1
1 196 . 8 1 1 A 24 24 ALA C C 24 176.866 177.338 -0.472 1
1 197 . 8 1 1 A 25 25 ARG N N 25 124.787 124.659 0.128 1
1 198 . 8 1 1 A 25 25 ARG H H 25 8.490 8.818 -0.328 1
1 199 . 8 1 1 A 25 25 ARG CA C 25 59.298 59.687 -0.389 1
1 200 . 8 1 1 A 25 25 ARG HA H 25 3.125 3.351 -0.226 1
1 201 . 8 1 1 A 25 25 ARG CB C 25 29.270 29.708 -0.438 1
1 210 . 8 1 1 A 25 25 ARG C C 25 178.954 177.847 1.107 1
1 211 . 8 1 1 A 26 26 SER CA C 26 60.587 61.886 -1.299 1
1 212 . 8 1 1 A 26 26 SER HA H 26 4.057 4.073 -0.016 1
1 213 . 8 1 1 A 26 26 SER CB C 26 61.336 62.920 -1.584 1
1 216 . 8 1 1 A 26 26 SER C C 26 177.007 176.291 0.716 1
1 217 . 8 1 1 A 27 27 SER N N 27 117.278 117.973 -0.695 1
1 218 . 8 1 1 A 27 27 SER H H 27 6.825 7.911 -1.086 1
1 219 . 8 1 1 A 27 27 SER CA C 27 60.701 62.228 -1.527 1
1 220 . 8 1 1 A 27 27 SER HA H 27 4.167 4.163 0.004 1
1 221 . 8 1 1 A 27 27 SER CB C 27 62.349 62.809 -0.460 1
1 224 . 8 1 1 A 27 27 SER C C 27 176.462 175.553 0.909 1
1 225 . 8 1 1 A 28 28 LEU N N 28 123.661 121.741 1.920 1
1 226 . 8 1 1 A 28 28 LEU H H 28 7.171 7.456 -0.285 1
1 227 . 8 1 1 A 28 28 LEU CA C 28 57.758 56.976 0.782 1
1 228 . 8 1 1 A 28 28 LEU HA H 28 3.179 2.313 0.866 1
1 229 . 8 1 1 A 28 28 LEU CB C 28 40.196 41.306 -1.110 1
1 242 . 8 1 1 A 28 28 LEU C C 28 177.102 177.977 -0.875 1
1 243 . 8 1 1 A 29 29 ALA N N 29 121.695 120.803 0.892 1
1 244 . 8 1 1 A 29 29 ALA H H 29 7.996 7.647 0.349 1
1 245 . 8 1 1 A 29 29 ALA CA C 29 55.373 55.344 0.029 1
1 246 . 8 1 1 A 29 29 ALA HA H 29 4.175 4.025 0.150 1
1 247 . 8 1 1 A 29 29 ALA CB C 29 17.751 18.433 -0.682 1
1 251 . 8 1 1 A 29 29 ALA C C 29 181.065 179.782 1.283 1
1 252 . 8 1 1 A 30 30 ILE N N 30 118.797 117.656 1.141 1
1 253 . 8 1 1 A 30 30 ILE H H 30 7.480 8.059 -0.579 1
1 254 . 8 1 1 A 30 30 ILE CA C 30 64.334 64.958 -0.624 1
1 255 . 8 1 1 A 30 30 ILE HA H 30 3.698 3.741 -0.043 1
1 256 . 8 1 1 A 30 30 ILE CB C 30 38.471 37.801 0.670 1
1 269 . 8 1 1 A 30 30 ILE C C 30 178.562 178.496 0.066 1
1 270 . 8 1 1 A 31 31 HIS N N 31 118.999 120.073 -1.074 1
1 271 . 8 1 1 A 31 31 HIS H H 31 7.443 8.064 -0.621 1
1 272 . 8 1 1 A 31 31 HIS CA C 31 59.207 59.914 -0.707 1
1 273 . 8 1 1 A 31 31 HIS HA H 31 4.235 4.210 0.025 1
1 274 . 8 1 1 A 31 31 HIS CB C 31 28.607 30.263 -1.656 1
1 281 . 8 1 1 A 31 31 HIS C C 31 178.221 177.549 0.672 1
1 282 . 8 1 1 A 32 32 GLN N N 32 120.561 117.535 3.026 1
1 283 . 8 1 1 A 32 32 GLN H H 32 9.107 8.316 0.791 1
1 284 . 8 1 1 A 32 32 GLN CA C 32 59.849 58.497 1.352 1
1 285 . 8 1 1 A 32 32 GLN HA H 32 3.717 3.704 0.013 1
1 286 . 8 1 1 A 32 32 GLN CB C 32 28.269 28.215 0.054 1
1 295 . 8 1 1 A 32 32 GLN C C 32 177.933 177.420 0.513 1
1 296 . 8 1 1 A 33 33 ALA N N 33 120.580 121.252 -0.672 1
1 297 . 8 1 1 A 33 33 ALA H H 33 7.225 7.130 0.095 1
1 298 . 8 1 1 A 33 33 ALA CA C 33 54.275 53.230 1.045 1
1 299 . 8 1 1 A 33 33 ALA HA H 33 4.223 4.178 0.045 1
1 300 . 8 1 1 A 33 33 ALA CB C 33 18.072 17.889 0.183 1
1 304 . 8 1 1 A 33 33 ALA C C 33 179.277 178.037 1.240 1
1 305 . 8 1 1 A 34 34 THR N N 34 108.871 111.830 -2.959 1
1 306 . 8 1 1 A 34 34 THR H H 34 7.690 8.197 -0.507 1
1 307 . 8 1 1 A 34 34 THR CA C 34 63.808 63.775 0.033 1
1 308 . 8 1 1 A 34 34 THR HA H 34 4.152 4.515 -0.363 1
1 309 . 8 1 1 A 34 34 THR CB C 34 69.413 70.846 -1.433 1
1 315 . 8 1 1 A 34 34 THR C C 34 175.831 174.698 1.133 1
1 316 . 8 1 1 A 35 35 HIS N N 35 118.845 119.701 -0.856 1
1 317 . 8 1 1 A 35 35 HIS H H 35 7.183 7.448 -0.265 1
1 318 . 8 1 1 A 35 35 HIS CA C 35 55.596 55.646 -0.050 1
1 319 . 8 1 1 A 35 35 HIS HA H 35 4.800 4.722 0.078 1
1 320 . 8 1 1 A 35 35 HIS CB C 35 28.675 28.498 0.177 1
1 327 . 8 1 1 A 35 35 HIS C C 35 175.495 176.675 -1.180 1
1 328 . 8 1 1 A 36 36 SER N N 36 115.119 118.973 -3.854 1
1 329 . 8 1 1 A 36 36 SER H H 36 7.871 8.259 -0.388 1
1 330 . 8 1 1 A 36 36 SER CA C 36 58.965 61.651 -2.686 1
1 331 . 8 1 1 A 36 36 SER HA H 36 4.444 4.145 0.299 1
1 332 . 8 1 1 A 36 36 SER CB C 36 63.882 62.523 1.359 1
1 335 . 8 1 1 A 36 36 SER C C 36 175.070 174.981 0.089 1
1 336 . 8 1 1 A 37 37 GLY N N 37 110.906 108.842 2.064 1
1 337 . 8 1 1 A 37 37 GLY H H 37 8.364 7.741 0.623 1
1 338 . 8 1 1 A 37 37 GLY CA C 37 45.222 45.436 -0.214 1
1 339 . 8 1 1 A 37 37 GLY HA2 H 37 3.977 4.093 -0.116 1
1 340 . 8 1 1 A 37 37 GLY HA3 H 37 3.901 4.096 -0.195 1
1 341 . 8 1 1 A 37 37 GLY C C 37 174.068 172.380 1.688 1
1 342 . 8 1 1 A 38 38 GLU N N 38 120.200 121.653 -1.453 1
1 343 . 8 1 1 A 38 38 GLU H H 38 8.198 8.511 -0.313 1
1 344 . 8 1 1 A 38 38 GLU CA C 38 56.989 54.906 2.083 1
1 345 . 8 1 1 A 38 38 GLU HA H 38 4.140 5.127 -0.987 1
1 346 . 8 1 1 A 38 38 GLU CB C 38 30.446 32.748 -2.302 1
1 352 . 8 1 1 A 38 38 GLU C C 38 176.270 174.626 1.644 1
1 353 . 8 1 1 A 39 39 LYS N N 39 120.907 126.096 -5.189 1
1 354 . 8 1 1 A 39 39 LYS H H 39 8.233 8.574 -0.341 1
1 355 . 8 1 1 A 39 39 LYS CA C 39 53.740 53.111 0.629 1
1 356 . 8 1 1 A 39 39 LYS HA H 39 4.464 4.927 -0.463 1
1 357 . 8 1 1 A 39 39 LYS CB C 39 33.224 33.289 -0.065 1
1 369 . 8 1 1 A 39 39 LYS C C 39 173.830 174.749 -0.919 1
1 370 . 8 1 1 A 40 40 PRO CA C 40 63.189 64.094 -0.905 1
1 371 . 8 1 1 A 40 40 PRO HA H 40 4.462 4.552 -0.090 1
1 372 . 8 1 1 A 40 40 PRO CB C 40 32.177 31.717 0.460 1
1 381 . 8 1 1 A 41 41 SER N N 41 116.632 114.805 1.827 1
1 382 . 8 1 1 A 41 41 SER H H 41 8.507 7.779 0.728 1
1 383 . 8 1 1 A 41 41 SER CA C 41 58.580 58.516 0.064 1
1 384 . 8 1 1 A 41 41 SER HA H 41 4.502 4.377 0.125 1
1 385 . 8 1 1 A 41 41 SER CB C 41 63.908 62.836 1.072 1
1 388 . 8 1 1 A 42 42 GLY N N 42 110.670 113.797 -3.127 1
1 389 . 8 1 1 A 42 42 GLY H H 42 8.222 8.273 -0.051 1
1 390 . 8 1 1 A 42 42 GLY CA C 42 44.675 45.708 -1.033 1
1 391 . 8 1 1 A 42 42 GLY HA2 H 42 4.151 4.115 0.036 1
1 392 . 8 1 1 A 42 42 GLY HA3 H 42 4.079 4.119 -0.040 1
1 393 . 8 1 1 A 43 43 PRO CA C 43 63.074 62.562 0.512 1
1 394 . 8 1 1 A 43 43 PRO HA H 43 4.462 4.608 -0.146 1
1 395 . 8 1 1 A 43 43 PRO CB C 43 32.165 31.880 0.285 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.936 61.750 0.186 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.334 4.402 -0.068 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.790 69.721 0.069 1
1 9 . 9 1 1 A 9 9 GLY CA C 9 45.303 45.789 -0.486 1
1 10 . 9 1 1 A 9 9 GLY HA2 H 9 3.975 4.172 -0.197 1
1 11 . 9 1 1 A 9 9 GLY HA3 H 9 3.975 4.172 -0.197 1
1 12 . 9 1 1 A 9 9 GLY C C 9 174.030 173.289 0.741 1
1 13 . 9 1 1 A 10 10 GLU N N 10 120.522 122.611 -2.089 1
1 14 . 9 1 1 A 10 10 GLU H H 10 8.138 8.278 -0.140 1
1 15 . 9 1 1 A 10 10 GLU CA C 10 56.348 55.407 0.941 1
1 16 . 9 1 1 A 10 10 GLU HA H 10 4.254 4.451 -0.197 1
1 17 . 9 1 1 A 10 10 GLU CB C 10 30.590 29.346 1.244 1
1 23 . 9 1 1 A 10 10 GLU C C 10 176.309 174.666 1.643 1
1 24 . 9 1 1 A 11 11 LYS N N 11 123.786 126.817 -3.031 1
1 25 . 9 1 1 A 11 11 LYS H H 11 8.422 7.943 0.479 1
1 26 . 9 1 1 A 11 11 LYS CA C 11 54.092 53.064 1.028 1
1 27 . 9 1 1 A 11 11 LYS HA H 11 4.614 4.773 -0.159 1
1 28 . 9 1 1 A 11 11 LYS CB C 11 32.512 33.140 -0.628 1
1 40 . 9 1 1 A 11 11 LYS C C 11 174.485 176.415 -1.930 1
1 41 . 9 1 1 A 12 12 PRO CA C 12 63.537 65.067 -1.530 1
1 42 . 9 1 1 A 12 12 PRO HA H 12 4.222 4.426 -0.204 1
1 43 . 9 1 1 A 12 12 PRO CB C 12 32.294 32.089 0.205 1
1 52 . 9 1 1 A 12 12 PRO C C 12 176.522 176.290 0.232 1
1 53 . 9 1 1 A 13 13 TYR N N 13 118.425 117.710 0.715 1
1 54 . 9 1 1 A 13 13 TYR H H 13 7.747 7.828 -0.081 1
1 55 . 9 1 1 A 13 13 TYR CA C 13 57.492 56.831 0.661 1
1 56 . 9 1 1 A 13 13 TYR HA H 13 4.643 5.361 -0.718 1
1 57 . 9 1 1 A 13 13 TYR CB C 13 38.298 42.450 -4.152 1
1 68 . 9 1 1 A 13 13 TYR C C 13 174.436 174.431 0.005 1
1 69 . 9 1 1 A 14 14 LYS N N 14 125.064 122.922 2.142 1
1 70 . 9 1 1 A 14 14 LYS H H 14 8.580 8.923 -0.343 1
1 71 . 9 1 1 A 14 14 LYS CA C 14 55.150 55.304 -0.154 1
1 72 . 9 1 1 A 14 14 LYS HA H 14 4.934 5.229 -0.295 1
1 73 . 9 1 1 A 14 14 LYS CB C 14 35.364 36.392 -1.028 1
1 85 . 9 1 1 A 14 14 LYS C C 14 175.164 175.238 -0.074 1
1 86 . 9 1 1 A 15 15 CYS N N 15 126.356 125.439 0.917 1
1 87 . 9 1 1 A 15 15 CYS H H 15 9.216 9.163 0.053 1
1 88 . 9 1 1 A 15 15 CYS CA C 15 59.505 60.066 -0.561 1
1 89 . 9 1 1 A 15 15 CYS HA H 15 4.499 4.567 -0.068 1
1 90 . 9 1 1 A 15 15 CYS CB C 15 29.802 28.770 1.032 1
1 93 . 9 1 1 A 15 15 CYS C C 15 177.060 177.118 -0.058 1
1 94 . 9 1 1 A 16 16 ASN N N 16 130.128 124.090 6.038 1
1 95 . 9 1 1 A 16 16 ASN H H 16 9.375 9.009 0.366 1
1 96 . 9 1 1 A 16 16 ASN CA C 16 55.567 53.168 2.399 1
1 97 . 9 1 1 A 16 16 ASN HA H 16 4.526 4.705 -0.179 1
1 98 . 9 1 1 A 16 16 ASN CB C 16 38.377 37.248 1.129 1
1 104 . 9 1 1 A 16 16 ASN C C 16 175.395 175.039 0.356 1
1 105 . 9 1 1 A 17 17 GLU N N 17 121.112 117.510 3.602 1
1 106 . 9 1 1 A 17 17 GLU H H 17 8.801 7.966 0.835 1
1 107 . 9 1 1 A 17 17 GLU CA C 17 58.384 58.139 0.245 1
1 108 . 9 1 1 A 17 17 GLU HA H 17 4.227 4.319 -0.092 1
1 109 . 9 1 1 A 17 17 GLU CB C 17 29.679 30.276 -0.597 1
1 115 . 9 1 1 A 17 17 GLU C C 17 177.104 178.141 -1.037 1
1 116 . 9 1 1 A 18 18 CYS N N 18 114.836 114.992 -0.156 1
1 117 . 9 1 1 A 18 18 CYS H H 18 7.953 8.192 -0.239 1
1 118 . 9 1 1 A 18 18 CYS CA C 18 58.341 59.572 -1.231 1
1 119 . 9 1 1 A 18 18 CYS HA H 18 5.156 4.755 0.401 1
1 120 . 9 1 1 A 18 18 CYS CB C 18 32.523 30.119 2.404 1
1 123 . 9 1 1 A 18 18 CYS C C 18 176.223 175.493 0.730 1
1 124 . 9 1 1 A 19 19 GLY N N 19 113.235 110.031 3.204 1
1 125 . 9 1 1 A 19 19 GLY H H 19 8.138 8.197 -0.059 1
1 126 . 9 1 1 A 19 19 GLY CA C 19 46.304 45.176 1.128 1
1 127 . 9 1 1 A 19 19 GLY HA2 H 19 3.785 4.068 -0.283 1
1 128 . 9 1 1 A 19 19 GLY HA3 H 19 4.241 4.084 0.157 1
1 129 . 9 1 1 A 19 19 GLY C C 19 173.712 174.521 -0.809 1
1 130 . 9 1 1 A 20 20 LYS N N 20 123.349 120.016 3.333 1
1 131 . 9 1 1 A 20 20 LYS H H 20 8.040 7.748 0.292 1
1 132 . 9 1 1 A 20 20 LYS CA C 20 58.424 56.333 2.091 1
1 133 . 9 1 1 A 20 20 LYS HA H 20 3.919 4.238 -0.319 1
1 134 . 9 1 1 A 20 20 LYS CB C 20 33.699 33.695 0.004 1
1 146 . 9 1 1 A 20 20 LYS C C 20 173.678 174.927 -1.249 1
1 147 . 9 1 1 A 21 21 ALA N N 21 124.050 121.247 2.803 1
1 148 . 9 1 1 A 21 21 ALA H H 21 7.783 8.055 -0.272 1
1 149 . 9 1 1 A 21 21 ALA CA C 21 50.427 51.202 -0.775 1
1 150 . 9 1 1 A 21 21 ALA HA H 21 5.135 5.431 -0.296 1
1 151 . 9 1 1 A 21 21 ALA CB C 21 22.453 21.997 0.456 1
1 155 . 9 1 1 A 21 21 ALA C C 21 176.113 175.655 0.458 1
1 156 . 9 1 1 A 22 22 PHE N N 22 116.580 120.872 -4.292 1
1 157 . 9 1 1 A 22 22 PHE H H 22 8.754 9.233 -0.479 1
1 158 . 9 1 1 A 22 22 PHE CA C 22 57.200 57.035 0.165 1
1 159 . 9 1 1 A 22 22 PHE HA H 22 4.695 5.026 -0.331 1
1 160 . 9 1 1 A 22 22 PHE CB C 22 44.007 42.668 1.339 1
1 173 . 9 1 1 A 22 22 PHE C C 22 175.166 175.870 -0.704 1
1 174 . 9 1 1 A 23 23 ARG N N 23 120.122 119.511 0.611 1
1 175 . 9 1 1 A 23 23 ARG H H 23 9.062 8.967 0.095 1
1 176 . 9 1 1 A 23 23 ARG CA C 23 57.935 56.526 1.409 1
1 177 . 9 1 1 A 23 23 ARG HA H 23 4.503 4.746 -0.243 1
1 178 . 9 1 1 A 23 23 ARG CB C 23 31.133 32.694 -1.561 1
1 187 . 9 1 1 A 23 23 ARG C C 23 175.314 175.998 -0.684 1
1 188 . 9 1 1 A 24 24 ALA N N 24 118.433 119.162 -0.729 1
1 189 . 9 1 1 A 24 24 ALA H H 24 7.636 7.810 -0.174 1
1 190 . 9 1 1 A 24 24 ALA CA C 24 50.400 50.581 -0.181 1
1 191 . 9 1 1 A 24 24 ALA HA H 24 4.860 4.647 0.213 1
1 192 . 9 1 1 A 24 24 ALA CB C 24 21.958 21.814 0.144 1
1 196 . 9 1 1 A 24 24 ALA C C 24 176.866 177.164 -0.298 1
1 197 . 9 1 1 A 25 25 ARG N N 25 124.787 118.494 6.293 1
1 198 . 9 1 1 A 25 25 ARG H H 25 8.490 8.756 -0.266 1
1 199 . 9 1 1 A 25 25 ARG CA C 25 59.298 58.974 0.324 1
1 200 . 9 1 1 A 25 25 ARG HA H 25 3.125 3.315 -0.190 1
1 201 . 9 1 1 A 25 25 ARG CB C 25 29.270 30.219 -0.949 1
1 210 . 9 1 1 A 25 25 ARG C C 25 178.954 178.283 0.671 1
1 211 . 9 1 1 A 26 26 SER CA C 26 60.587 61.163 -0.576 1
1 212 . 9 1 1 A 26 26 SER HA H 26 4.057 4.025 0.032 1
1 213 . 9 1 1 A 26 26 SER CB C 26 61.336 62.840 -1.504 1
1 216 . 9 1 1 A 26 26 SER C C 26 177.007 177.086 -0.079 1
1 217 . 9 1 1 A 27 27 SER N N 27 117.278 116.021 1.257 1
1 218 . 9 1 1 A 27 27 SER H H 27 6.825 7.817 -0.992 1
1 219 . 9 1 1 A 27 27 SER CA C 27 60.701 61.349 -0.648 1
1 220 . 9 1 1 A 27 27 SER HA H 27 4.167 4.236 -0.069 1
1 221 . 9 1 1 A 27 27 SER CB C 27 62.349 62.897 -0.548 1
1 224 . 9 1 1 A 27 27 SER C C 27 176.462 176.867 -0.405 1
1 225 . 9 1 1 A 28 28 LEU N N 28 123.661 122.337 1.324 1
1 226 . 9 1 1 A 28 28 LEU H H 28 7.171 7.912 -0.741 1
1 227 . 9 1 1 A 28 28 LEU CA C 28 57.758 56.700 1.058 1
1 228 . 9 1 1 A 28 28 LEU HA H 28 3.179 2.125 1.054 1
1 229 . 9 1 1 A 28 28 LEU CB C 28 40.196 41.036 -0.840 1
1 242 . 9 1 1 A 28 28 LEU C C 28 177.102 178.118 -1.016 1
1 243 . 9 1 1 A 29 29 ALA N N 29 121.695 120.927 0.768 1
1 244 . 9 1 1 A 29 29 ALA H H 29 7.996 8.143 -0.147 1
1 245 . 9 1 1 A 29 29 ALA CA C 29 55.373 55.338 0.035 1
1 246 . 9 1 1 A 29 29 ALA HA H 29 4.175 3.978 0.197 1
1 247 . 9 1 1 A 29 29 ALA CB C 29 17.751 18.353 -0.602 1
1 251 . 9 1 1 A 29 29 ALA C C 29 181.065 179.831 1.234 1
1 252 . 9 1 1 A 30 30 ILE N N 30 118.797 117.811 0.986 1
1 253 . 9 1 1 A 30 30 ILE H H 30 7.480 7.734 -0.254 1
1 254 . 9 1 1 A 30 30 ILE CA C 30 64.334 65.006 -0.672 1
1 255 . 9 1 1 A 30 30 ILE HA H 30 3.698 3.738 -0.040 1
1 256 . 9 1 1 A 30 30 ILE CB C 30 38.471 37.797 0.674 1
1 269 . 9 1 1 A 30 30 ILE C C 30 178.562 178.646 -0.084 1
1 270 . 9 1 1 A 31 31 HIS N N 31 118.999 120.336 -1.337 1
1 271 . 9 1 1 A 31 31 HIS H H 31 7.443 8.059 -0.616 1
1 272 . 9 1 1 A 31 31 HIS CA C 31 59.207 59.715 -0.508 1
1 273 . 9 1 1 A 31 31 HIS HA H 31 4.235 4.285 -0.050 1
1 274 . 9 1 1 A 31 31 HIS CB C 31 28.607 30.275 -1.668 1
1 281 . 9 1 1 A 31 31 HIS C C 31 178.221 177.635 0.586 1
1 282 . 9 1 1 A 32 32 GLN N N 32 120.561 117.781 2.780 1
1 283 . 9 1 1 A 32 32 GLN H H 32 9.107 8.450 0.657 1
1 284 . 9 1 1 A 32 32 GLN CA C 32 59.849 58.293 1.556 1
1 285 . 9 1 1 A 32 32 GLN HA H 32 3.717 3.717 0.000 1
1 286 . 9 1 1 A 32 32 GLN CB C 32 28.269 28.303 -0.034 1
1 295 . 9 1 1 A 32 32 GLN C C 32 177.933 177.115 0.818 1
1 296 . 9 1 1 A 33 33 ALA N N 33 120.580 121.240 -0.660 1
1 297 . 9 1 1 A 33 33 ALA H H 33 7.225 7.341 -0.116 1
1 298 . 9 1 1 A 33 33 ALA CA C 33 54.275 53.096 1.179 1
1 299 . 9 1 1 A 33 33 ALA HA H 33 4.223 4.199 0.024 1
1 300 . 9 1 1 A 33 33 ALA CB C 33 18.072 17.914 0.158 1
1 304 . 9 1 1 A 33 33 ALA C C 33 179.277 177.939 1.338 1
1 305 . 9 1 1 A 34 34 THR N N 34 108.871 112.133 -3.262 1
1 306 . 9 1 1 A 34 34 THR H H 34 7.690 8.251 -0.561 1
1 307 . 9 1 1 A 34 34 THR CA C 34 63.808 64.242 -0.434 1
1 308 . 9 1 1 A 34 34 THR HA H 34 4.152 4.502 -0.350 1
1 309 . 9 1 1 A 34 34 THR CB C 34 69.413 70.456 -1.043 1
1 315 . 9 1 1 A 34 34 THR C C 34 175.831 176.297 -0.466 1
1 316 . 9 1 1 A 35 35 HIS N N 35 118.845 118.595 0.250 1
1 317 . 9 1 1 A 35 35 HIS H H 35 7.183 7.822 -0.639 1
1 318 . 9 1 1 A 35 35 HIS CA C 35 55.596 59.542 -3.946 1
1 319 . 9 1 1 A 35 35 HIS HA H 35 4.800 4.333 0.467 1
1 320 . 9 1 1 A 35 35 HIS CB C 35 28.675 29.734 -1.059 1
1 327 . 9 1 1 A 35 35 HIS C C 35 175.495 176.273 -0.778 1
1 328 . 9 1 1 A 36 36 SER N N 36 115.119 113.925 1.194 1
1 329 . 9 1 1 A 36 36 SER H H 36 7.871 7.330 0.541 1
1 330 . 9 1 1 A 36 36 SER CA C 36 58.965 60.136 -1.171 1
1 331 . 9 1 1 A 36 36 SER HA H 36 4.444 4.023 0.421 1
1 332 . 9 1 1 A 36 36 SER CB C 36 63.882 62.675 1.207 1
1 335 . 9 1 1 A 36 36 SER C C 36 175.070 175.463 -0.393 1
1 336 . 9 1 1 A 37 37 GLY N N 37 110.906 115.305 -4.399 1
1 337 . 9 1 1 A 37 37 GLY H H 37 8.364 8.672 -0.308 1
1 338 . 9 1 1 A 37 37 GLY CA C 37 45.222 45.362 -0.140 1
1 339 . 9 1 1 A 37 37 GLY HA2 H 37 3.977 4.008 -0.031 1
1 340 . 9 1 1 A 37 37 GLY HA3 H 37 3.901 4.009 -0.108 1
1 341 . 9 1 1 A 37 37 GLY C C 37 174.068 174.852 -0.784 1
1 342 . 9 1 1 A 38 38 GLU N N 38 120.200 111.841 8.359 1
1 343 . 9 1 1 A 38 38 GLU H H 38 8.198 8.515 -0.317 1
1 344 . 9 1 1 A 38 38 GLU CA C 38 56.989 57.555 -0.566 1
1 345 . 9 1 1 A 38 38 GLU HA H 38 4.140 3.938 0.202 1
1 346 . 9 1 1 A 38 38 GLU CB C 38 30.446 27.474 2.972 1
1 352 . 9 1 1 A 38 38 GLU C C 38 176.270 175.325 0.945 1
1 353 . 9 1 1 A 39 39 LYS N N 39 120.907 119.525 1.382 1
1 354 . 9 1 1 A 39 39 LYS H H 39 8.233 7.906 0.327 1
1 355 . 9 1 1 A 39 39 LYS CA C 39 53.740 53.792 -0.052 1
1 356 . 9 1 1 A 39 39 LYS HA H 39 4.464 4.803 -0.339 1
1 357 . 9 1 1 A 39 39 LYS CB C 39 33.224 32.274 0.950 1
1 369 . 9 1 1 A 39 39 LYS C C 39 173.830 174.901 -1.071 1
1 370 . 9 1 1 A 40 40 PRO CA C 40 63.189 63.718 -0.529 1
1 371 . 9 1 1 A 40 40 PRO HA H 40 4.462 4.657 -0.195 1
1 372 . 9 1 1 A 40 40 PRO CB C 40 32.177 32.265 -0.088 1
1 381 . 9 1 1 A 41 41 SER N N 41 116.632 115.092 1.540 1
1 382 . 9 1 1 A 41 41 SER H H 41 8.507 7.716 0.791 1
1 383 . 9 1 1 A 41 41 SER CA C 41 58.580 59.955 -1.375 1
1 384 . 9 1 1 A 41 41 SER HA H 41 4.502 4.210 0.292 1
1 385 . 9 1 1 A 41 41 SER CB C 41 63.908 62.690 1.218 1
1 388 . 9 1 1 A 42 42 GLY N N 42 110.670 113.612 -2.942 1
1 389 . 9 1 1 A 42 42 GLY H H 42 8.222 8.351 -0.129 1
1 390 . 9 1 1 A 42 42 GLY CA C 42 44.675 45.603 -0.928 1
1 391 . 9 1 1 A 42 42 GLY HA2 H 42 4.151 4.224 -0.073 1
1 392 . 9 1 1 A 42 42 GLY HA3 H 42 4.079 4.254 -0.175 1
1 393 . 9 1 1 A 43 43 PRO CA C 43 63.074 64.037 -0.963 1
1 394 . 9 1 1 A 43 43 PRO HA H 43 4.462 4.496 -0.034 1
1 395 . 9 1 1 A 43 43 PRO CB C 43 32.165 31.435 0.730 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.936 60.507 1.429 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.334 4.562 -0.228 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.790 71.235 -1.445 1
1 9 . 10 1 1 A 9 9 GLY CA C 9 45.303 45.228 0.075 1
1 10 . 10 1 1 A 9 9 GLY HA2 H 9 3.975 4.017 -0.042 1
1 11 . 10 1 1 A 9 9 GLY HA3 H 9 3.975 4.024 -0.049 1
1 12 . 10 1 1 A 9 9 GLY C C 9 174.030 175.030 -1.000 1
1 13 . 10 1 1 A 10 10 GLU N N 10 120.522 122.260 -1.738 1
1 14 . 10 1 1 A 10 10 GLU H H 10 8.138 8.700 -0.562 1
1 15 . 10 1 1 A 10 10 GLU CA C 10 56.348 56.100 0.248 1
1 16 . 10 1 1 A 10 10 GLU HA H 10 4.254 4.570 -0.316 1
1 17 . 10 1 1 A 10 10 GLU CB C 10 30.590 29.079 1.511 1
1 23 . 10 1 1 A 10 10 GLU C C 10 176.309 175.950 0.359 1
1 24 . 10 1 1 A 11 11 LYS N N 11 123.786 117.763 6.023 1
1 25 . 10 1 1 A 11 11 LYS H H 11 8.422 8.118 0.304 1
1 26 . 10 1 1 A 11 11 LYS CA C 11 54.092 57.077 -2.985 1
1 27 . 10 1 1 A 11 11 LYS HA H 11 4.614 4.028 0.586 1
1 28 . 10 1 1 A 11 11 LYS CB C 11 32.512 30.077 2.435 1
1 40 . 10 1 1 A 11 11 LYS C C 11 174.485 177.030 -2.545 1
1 41 . 10 1 1 A 12 12 PRO CA C 12 63.537 65.075 -1.538 1
1 42 . 10 1 1 A 12 12 PRO HA H 12 4.222 4.387 -0.165 1
1 43 . 10 1 1 A 12 12 PRO CB C 12 32.294 31.916 0.378 1
1 52 . 10 1 1 A 12 12 PRO C C 12 176.522 176.095 0.427 1
1 53 . 10 1 1 A 13 13 TYR N N 13 118.425 117.191 1.234 1
1 54 . 10 1 1 A 13 13 TYR H H 13 7.747 7.668 0.079 1
1 55 . 10 1 1 A 13 13 TYR CA C 13 57.492 56.110 1.382 1
1 56 . 10 1 1 A 13 13 TYR HA H 13 4.643 5.364 -0.721 1
1 57 . 10 1 1 A 13 13 TYR CB C 13 38.298 43.138 -4.840 1
1 68 . 10 1 1 A 13 13 TYR C C 13 174.436 174.369 0.067 1
1 69 . 10 1 1 A 14 14 LYS N N 14 125.064 123.286 1.778 1
1 70 . 10 1 1 A 14 14 LYS H H 14 8.580 8.772 -0.192 1
1 71 . 10 1 1 A 14 14 LYS CA C 14 55.150 55.614 -0.464 1
1 72 . 10 1 1 A 14 14 LYS HA H 14 4.934 5.059 -0.125 1
1 73 . 10 1 1 A 14 14 LYS CB C 14 35.364 36.487 -1.123 1
1 85 . 10 1 1 A 14 14 LYS C C 14 175.164 174.247 0.917 1
1 86 . 10 1 1 A 15 15 CYS N N 15 126.356 124.374 1.982 1
1 87 . 10 1 1 A 15 15 CYS H H 15 9.216 9.314 -0.098 1
1 88 . 10 1 1 A 15 15 CYS CA C 15 59.505 58.031 1.474 1
1 89 . 10 1 1 A 15 15 CYS HA H 15 4.499 4.822 -0.323 1
1 90 . 10 1 1 A 15 15 CYS CB C 15 29.802 29.369 0.433 1
1 93 . 10 1 1 A 15 15 CYS C C 15 177.060 176.231 0.829 1
1 94 . 10 1 1 A 16 16 ASN N N 16 130.128 122.628 7.500 1
1 95 . 10 1 1 A 16 16 ASN H H 16 9.375 8.987 0.388 1
1 96 . 10 1 1 A 16 16 ASN CA C 16 55.567 52.919 2.648 1
1 97 . 10 1 1 A 16 16 ASN HA H 16 4.526 4.810 -0.284 1
1 98 . 10 1 1 A 16 16 ASN CB C 16 38.377 37.561 0.816 1
1 104 . 10 1 1 A 16 16 ASN C C 16 175.395 174.495 0.900 1
1 105 . 10 1 1 A 17 17 GLU N N 17 121.112 117.364 3.748 1
1 106 . 10 1 1 A 17 17 GLU H H 17 8.801 8.056 0.745 1
1 107 . 10 1 1 A 17 17 GLU CA C 17 58.384 57.265 1.119 1
1 108 . 10 1 1 A 17 17 GLU HA H 17 4.227 4.503 -0.276 1
1 109 . 10 1 1 A 17 17 GLU CB C 17 29.679 31.205 -1.526 1
1 115 . 10 1 1 A 17 17 GLU C C 17 177.104 178.118 -1.014 1
1 116 . 10 1 1 A 18 18 CYS N N 18 114.836 115.239 -0.403 1
1 117 . 10 1 1 A 18 18 CYS H H 18 7.953 8.251 -0.298 1
1 118 . 10 1 1 A 18 18 CYS CA C 18 58.341 59.847 -1.506 1
1 119 . 10 1 1 A 18 18 CYS HA H 18 5.156 4.760 0.396 1
1 120 . 10 1 1 A 18 18 CYS CB C 18 32.523 29.981 2.542 1
1 123 . 10 1 1 A 18 18 CYS C C 18 176.223 175.473 0.750 1
1 124 . 10 1 1 A 19 19 GLY N N 19 113.235 109.788 3.447 1
1 125 . 10 1 1 A 19 19 GLY H H 19 8.138 7.999 0.139 1
1 126 . 10 1 1 A 19 19 GLY CA C 19 46.304 45.130 1.174 1
1 127 . 10 1 1 A 19 19 GLY HA2 H 19 3.785 4.078 -0.293 1
1 128 . 10 1 1 A 19 19 GLY HA3 H 19 4.241 4.090 0.151 1
1 129 . 10 1 1 A 19 19 GLY C C 19 173.712 174.262 -0.550 1
1 130 . 10 1 1 A 20 20 LYS N N 20 123.349 119.157 4.192 1
1 131 . 10 1 1 A 20 20 LYS H H 20 8.040 7.818 0.222 1
1 132 . 10 1 1 A 20 20 LYS CA C 20 58.424 54.769 3.655 1
1 133 . 10 1 1 A 20 20 LYS HA H 20 3.919 4.467 -0.548 1
1 134 . 10 1 1 A 20 20 LYS CB C 20 33.699 34.211 -0.512 1
1 146 . 10 1 1 A 20 20 LYS C C 20 173.678 175.423 -1.745 1
1 147 . 10 1 1 A 21 21 ALA N N 21 124.050 120.734 3.316 1
1 148 . 10 1 1 A 21 21 ALA H H 21 7.783 8.025 -0.242 1
1 149 . 10 1 1 A 21 21 ALA CA C 21 50.427 51.334 -0.907 1
1 150 . 10 1 1 A 21 21 ALA HA H 21 5.135 5.265 -0.130 1
1 151 . 10 1 1 A 21 21 ALA CB C 21 22.453 22.526 -0.073 1
1 155 . 10 1 1 A 21 21 ALA C C 21 176.113 175.329 0.784 1
1 156 . 10 1 1 A 22 22 PHE N N 22 116.580 119.955 -3.375 1
1 157 . 10 1 1 A 22 22 PHE H H 22 8.754 9.146 -0.392 1
1 158 . 10 1 1 A 22 22 PHE CA C 22 57.200 57.066 0.134 1
1 159 . 10 1 1 A 22 22 PHE HA H 22 4.695 4.957 -0.262 1
1 160 . 10 1 1 A 22 22 PHE CB C 22 44.007 43.198 0.809 1
1 173 . 10 1 1 A 22 22 PHE C C 22 175.166 175.905 -0.739 1
1 174 . 10 1 1 A 23 23 ARG N N 23 120.122 122.001 -1.879 1
1 175 . 10 1 1 A 23 23 ARG H H 23 9.062 8.928 0.134 1
1 176 . 10 1 1 A 23 23 ARG CA C 23 57.935 57.720 0.215 1
1 177 . 10 1 1 A 23 23 ARG HA H 23 4.503 4.408 0.095 1
1 178 . 10 1 1 A 23 23 ARG CB C 23 31.133 31.468 -0.335 1
1 187 . 10 1 1 A 23 23 ARG C C 23 175.314 176.312 -0.998 1
1 188 . 10 1 1 A 24 24 ALA N N 24 118.433 117.368 1.065 1
1 189 . 10 1 1 A 24 24 ALA H H 24 7.636 7.741 -0.105 1
1 190 . 10 1 1 A 24 24 ALA CA C 24 50.400 50.489 -0.089 1
1 191 . 10 1 1 A 24 24 ALA HA H 24 4.860 4.683 0.177 1
1 192 . 10 1 1 A 24 24 ALA CB C 24 21.958 21.755 0.203 1
1 196 . 10 1 1 A 24 24 ALA C C 24 176.866 176.942 -0.076 1
1 197 . 10 1 1 A 25 25 ARG N N 25 124.787 119.392 5.395 1
1 198 . 10 1 1 A 25 25 ARG H H 25 8.490 7.995 0.495 1
1 199 . 10 1 1 A 25 25 ARG CA C 25 59.298 59.129 0.169 1
1 200 . 10 1 1 A 25 25 ARG HA H 25 3.125 3.022 0.103 1
1 201 . 10 1 1 A 25 25 ARG CB C 25 29.270 29.828 -0.558 1
1 210 . 10 1 1 A 25 25 ARG C C 25 178.954 177.624 1.330 1
1 211 . 10 1 1 A 26 26 SER CA C 26 60.587 61.466 -0.879 1
1 212 . 10 1 1 A 26 26 SER HA H 26 4.057 4.078 -0.021 1
1 213 . 10 1 1 A 26 26 SER CB C 26 61.336 62.848 -1.512 1
1 216 . 10 1 1 A 26 26 SER C C 26 177.007 176.360 0.647 1
1 217 . 10 1 1 A 27 27 SER N N 27 117.278 116.354 0.924 1
1 218 . 10 1 1 A 27 27 SER H H 27 6.825 7.792 -0.967 1
1 219 . 10 1 1 A 27 27 SER CA C 27 60.701 61.301 -0.600 1
1 220 . 10 1 1 A 27 27 SER HA H 27 4.167 4.212 -0.045 1
1 221 . 10 1 1 A 27 27 SER CB C 27 62.349 62.894 -0.545 1
1 224 . 10 1 1 A 27 27 SER C C 27 176.462 177.065 -0.603 1
1 225 . 10 1 1 A 28 28 LEU N N 28 123.661 122.737 0.924 1
1 226 . 10 1 1 A 28 28 LEU H H 28 7.171 8.007 -0.836 1
1 227 . 10 1 1 A 28 28 LEU CA C 28 57.758 56.769 0.989 1
1 228 . 10 1 1 A 28 28 LEU HA H 28 3.179 2.137 1.042 1
1 229 . 10 1 1 A 28 28 LEU CB C 28 40.196 40.883 -0.687 1
1 242 . 10 1 1 A 28 28 LEU C C 28 177.102 177.987 -0.885 1
1 243 . 10 1 1 A 29 29 ALA N N 29 121.695 120.315 1.380 1
1 244 . 10 1 1 A 29 29 ALA H H 29 7.996 8.206 -0.210 1
1 245 . 10 1 1 A 29 29 ALA CA C 29 55.373 55.258 0.115 1
1 246 . 10 1 1 A 29 29 ALA HA H 29 4.175 3.994 0.181 1
1 247 . 10 1 1 A 29 29 ALA CB C 29 17.751 18.401 -0.650 1
1 251 . 10 1 1 A 29 29 ALA C C 29 181.065 180.002 1.063 1
1 252 . 10 1 1 A 30 30 ILE N N 30 118.797 117.943 0.854 1
1 253 . 10 1 1 A 30 30 ILE H H 30 7.480 7.554 -0.074 1
1 254 . 10 1 1 A 30 30 ILE CA C 30 64.334 64.999 -0.665 1
1 255 . 10 1 1 A 30 30 ILE HA H 30 3.698 3.736 -0.038 1
1 256 . 10 1 1 A 30 30 ILE CB C 30 38.471 37.848 0.623 1
1 269 . 10 1 1 A 30 30 ILE C C 30 178.562 178.615 -0.053 1
1 270 . 10 1 1 A 31 31 HIS N N 31 118.999 119.944 -0.945 1
1 271 . 10 1 1 A 31 31 HIS H H 31 7.443 7.932 -0.489 1
1 272 . 10 1 1 A 31 31 HIS CA C 31 59.207 60.041 -0.834 1
1 273 . 10 1 1 A 31 31 HIS HA H 31 4.235 4.210 0.025 1
1 274 . 10 1 1 A 31 31 HIS CB C 31 28.607 30.094 -1.487 1
1 281 . 10 1 1 A 31 31 HIS C C 31 178.221 177.661 0.560 1
1 282 . 10 1 1 A 32 32 GLN N N 32 120.561 118.217 2.344 1
1 283 . 10 1 1 A 32 32 GLN H H 32 9.107 8.393 0.714 1
1 284 . 10 1 1 A 32 32 GLN CA C 32 59.849 58.243 1.606 1
1 285 . 10 1 1 A 32 32 GLN HA H 32 3.717 3.816 -0.099 1
1 286 . 10 1 1 A 32 32 GLN CB C 32 28.269 28.309 -0.040 1
1 295 . 10 1 1 A 32 32 GLN C C 32 177.933 177.112 0.821 1
1 296 . 10 1 1 A 33 33 ALA N N 33 120.580 121.357 -0.777 1
1 297 . 10 1 1 A 33 33 ALA H H 33 7.225 7.128 0.097 1
1 298 . 10 1 1 A 33 33 ALA CA C 33 54.275 53.206 1.069 1
1 299 . 10 1 1 A 33 33 ALA HA H 33 4.223 4.184 0.039 1
1 300 . 10 1 1 A 33 33 ALA CB C 33 18.072 18.069 0.003 1
1 304 . 10 1 1 A 33 33 ALA C C 33 179.277 177.970 1.307 1
1 305 . 10 1 1 A 34 34 THR N N 34 108.871 112.008 -3.137 1
1 306 . 10 1 1 A 34 34 THR H H 34 7.690 8.241 -0.551 1
1 307 . 10 1 1 A 34 34 THR CA C 34 63.808 63.682 0.126 1
1 308 . 10 1 1 A 34 34 THR HA H 34 4.152 4.479 -0.327 1
1 309 . 10 1 1 A 34 34 THR CB C 34 69.413 70.484 -1.071 1
1 315 . 10 1 1 A 34 34 THR C C 34 175.831 175.487 0.344 1
1 316 . 10 1 1 A 35 35 HIS N N 35 118.845 117.223 1.622 1
1 317 . 10 1 1 A 35 35 HIS H H 35 7.183 7.779 -0.596 1
1 318 . 10 1 1 A 35 35 HIS CA C 35 55.596 54.291 1.305 1
1 319 . 10 1 1 A 35 35 HIS HA H 35 4.800 4.667 0.133 1
1 320 . 10 1 1 A 35 35 HIS CB C 35 28.675 27.722 0.953 1
1 327 . 10 1 1 A 35 35 HIS C C 35 175.495 174.836 0.659 1
1 328 . 10 1 1 A 36 36 SER N N 36 115.119 116.228 -1.109 1
1 329 . 10 1 1 A 36 36 SER H H 36 7.871 7.699 0.172 1
1 330 . 10 1 1 A 36 36 SER CA C 36 58.965 60.413 -1.448 1
1 331 . 10 1 1 A 36 36 SER HA H 36 4.444 4.151 0.293 1
1 332 . 10 1 1 A 36 36 SER CB C 36 63.882 63.614 0.268 1
1 335 . 10 1 1 A 36 36 SER C C 36 175.070 174.655 0.415 1
1 336 . 10 1 1 A 37 37 GLY N N 37 110.906 114.975 -4.069 1
1 337 . 10 1 1 A 37 37 GLY H H 37 8.364 8.631 -0.267 1
1 338 . 10 1 1 A 37 37 GLY CA C 37 45.222 45.788 -0.566 1
1 339 . 10 1 1 A 37 37 GLY HA2 H 37 3.977 4.201 -0.224 1
1 340 . 10 1 1 A 37 37 GLY HA3 H 37 3.901 4.203 -0.302 1
1 341 . 10 1 1 A 37 37 GLY C C 37 174.068 174.505 -0.437 1
1 342 . 10 1 1 A 38 38 GLU N N 38 120.200 120.762 -0.562 1
1 343 . 10 1 1 A 38 38 GLU H H 38 8.198 8.358 -0.160 1
1 344 . 10 1 1 A 38 38 GLU CA C 38 56.989 57.607 -0.618 1
1 345 . 10 1 1 A 38 38 GLU HA H 38 4.140 4.370 -0.230 1
1 346 . 10 1 1 A 38 38 GLU CB C 38 30.446 31.111 -0.665 1
1 352 . 10 1 1 A 38 38 GLU C C 38 176.270 176.397 -0.127 1
1 353 . 10 1 1 A 39 39 LYS N N 39 120.907 118.680 2.227 1
1 354 . 10 1 1 A 39 39 LYS H H 39 8.233 7.512 0.721 1
1 355 . 10 1 1 A 39 39 LYS CA C 39 53.740 53.849 -0.109 1
1 356 . 10 1 1 A 39 39 LYS HA H 39 4.464 4.709 -0.245 1
1 357 . 10 1 1 A 39 39 LYS CB C 39 33.224 32.764 0.460 1
1 369 . 10 1 1 A 39 39 LYS C C 39 173.830 174.781 -0.951 1
1 370 . 10 1 1 A 40 40 PRO CA C 40 63.189 64.131 -0.942 1
1 371 . 10 1 1 A 40 40 PRO HA H 40 4.462 4.529 -0.067 1
1 372 . 10 1 1 A 40 40 PRO CB C 40 32.177 31.740 0.437 1
1 381 . 10 1 1 A 41 41 SER N N 41 116.632 115.523 1.109 1
1 382 . 10 1 1 A 41 41 SER H H 41 8.507 8.047 0.460 1
1 383 . 10 1 1 A 41 41 SER CA C 41 58.580 57.697 0.883 1
1 384 . 10 1 1 A 41 41 SER HA H 41 4.502 4.644 -0.142 1
1 385 . 10 1 1 A 41 41 SER CB C 41 63.908 62.052 1.856 1
1 388 . 10 1 1 A 42 42 GLY N N 42 110.670 112.173 -1.503 1
1 389 . 10 1 1 A 42 42 GLY H H 42 8.222 7.819 0.403 1
1 390 . 10 1 1 A 42 42 GLY CA C 42 44.675 45.491 -0.816 1
1 391 . 10 1 1 A 42 42 GLY HA2 H 42 4.151 4.213 -0.062 1
1 392 . 10 1 1 A 42 42 GLY HA3 H 42 4.079 4.214 -0.135 1
1 393 . 10 1 1 A 43 43 PRO CA C 43 63.074 62.387 0.687 1
1 394 . 10 1 1 A 43 43 PRO HA H 43 4.462 4.653 -0.191 1
1 395 . 10 1 1 A 43 43 PRO CB C 43 32.165 30.348 1.817 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.936 60.214 1.722 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.334 4.872 -0.538 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.790 71.017 -1.227 1
1 9 . 11 1 1 A 9 9 GLY CA C 9 45.303 44.800 0.503 1
1 10 . 11 1 1 A 9 9 GLY HA2 H 9 3.975 4.061 -0.086 1
1 11 . 11 1 1 A 9 9 GLY HA3 H 9 3.975 4.061 -0.086 1
1 12 . 11 1 1 A 9 9 GLY C C 9 174.030 172.855 1.175 1
1 13 . 11 1 1 A 10 10 GLU N N 10 120.522 120.957 -0.435 1
1 14 . 11 1 1 A 10 10 GLU H H 10 8.138 8.821 -0.683 1
1 15 . 11 1 1 A 10 10 GLU CA C 10 56.348 55.162 1.186 1
1 16 . 11 1 1 A 10 10 GLU HA H 10 4.254 4.943 -0.689 1
1 17 . 11 1 1 A 10 10 GLU CB C 10 30.590 31.153 -0.563 1
1 23 . 11 1 1 A 10 10 GLU C C 10 176.309 174.948 1.361 1
1 24 . 11 1 1 A 11 11 LYS N N 11 123.786 123.580 0.206 1
1 25 . 11 1 1 A 11 11 LYS H H 11 8.422 8.231 0.191 1
1 26 . 11 1 1 A 11 11 LYS CA C 11 54.092 53.151 0.941 1
1 27 . 11 1 1 A 11 11 LYS HA H 11 4.614 4.861 -0.247 1
1 28 . 11 1 1 A 11 11 LYS CB C 11 32.512 34.240 -1.728 1
1 40 . 11 1 1 A 11 11 LYS C C 11 174.485 175.938 -1.453 1
1 41 . 11 1 1 A 12 12 PRO CA C 12 63.537 64.823 -1.286 1
1 42 . 11 1 1 A 12 12 PRO HA H 12 4.222 4.260 -0.038 1
1 43 . 11 1 1 A 12 12 PRO CB C 12 32.294 31.730 0.564 1
1 52 . 11 1 1 A 12 12 PRO C C 12 176.522 175.916 0.606 1
1 53 . 11 1 1 A 13 13 TYR N N 13 118.425 117.927 0.498 1
1 54 . 11 1 1 A 13 13 TYR H H 13 7.747 7.606 0.141 1
1 55 . 11 1 1 A 13 13 TYR CA C 13 57.492 56.369 1.123 1
1 56 . 11 1 1 A 13 13 TYR HA H 13 4.643 5.383 -0.740 1
1 57 . 11 1 1 A 13 13 TYR CB C 13 38.298 42.017 -3.719 1
1 68 . 11 1 1 A 13 13 TYR C C 13 174.436 174.660 -0.224 1
1 69 . 11 1 1 A 14 14 LYS N N 14 125.064 120.993 4.071 1
1 70 . 11 1 1 A 14 14 LYS H H 14 8.580 8.811 -0.231 1
1 71 . 11 1 1 A 14 14 LYS CA C 14 55.150 56.093 -0.943 1
1 72 . 11 1 1 A 14 14 LYS HA H 14 4.934 4.777 0.157 1
1 73 . 11 1 1 A 14 14 LYS CB C 14 35.364 36.038 -0.674 1
1 85 . 11 1 1 A 14 14 LYS C C 14 175.164 174.520 0.644 1
1 86 . 11 1 1 A 15 15 CYS N N 15 126.356 124.818 1.538 1
1 87 . 11 1 1 A 15 15 CYS H H 15 9.216 8.949 0.267 1
1 88 . 11 1 1 A 15 15 CYS CA C 15 59.505 59.936 -0.431 1
1 89 . 11 1 1 A 15 15 CYS HA H 15 4.499 4.663 -0.164 1
1 90 . 11 1 1 A 15 15 CYS CB C 15 29.802 28.580 1.222 1
1 93 . 11 1 1 A 15 15 CYS C C 15 177.060 175.067 1.993 1
1 94 . 11 1 1 A 16 16 ASN N N 16 130.128 123.860 6.268 1
1 95 . 11 1 1 A 16 16 ASN H H 16 9.375 8.966 0.409 1
1 96 . 11 1 1 A 16 16 ASN CA C 16 55.567 53.684 1.883 1
1 97 . 11 1 1 A 16 16 ASN HA H 16 4.526 4.847 -0.321 1
1 98 . 11 1 1 A 16 16 ASN CB C 16 38.377 39.494 -1.117 1
1 104 . 11 1 1 A 16 16 ASN C C 16 175.395 176.102 -0.707 1
1 105 . 11 1 1 A 17 17 GLU N N 17 121.112 118.484 2.628 1
1 106 . 11 1 1 A 17 17 GLU H H 17 8.801 7.487 1.314 1
1 107 . 11 1 1 A 17 17 GLU CA C 17 58.384 58.559 -0.175 1
1 108 . 11 1 1 A 17 17 GLU HA H 17 4.227 4.098 0.129 1
1 109 . 11 1 1 A 17 17 GLU CB C 17 29.679 29.766 -0.087 1
1 115 . 11 1 1 A 17 17 GLU C C 17 177.104 177.792 -0.688 1
1 116 . 11 1 1 A 18 18 CYS N N 18 114.836 115.002 -0.166 1
1 117 . 11 1 1 A 18 18 CYS H H 18 7.953 7.923 0.030 1
1 118 . 11 1 1 A 18 18 CYS CA C 18 58.341 59.637 -1.296 1
1 119 . 11 1 1 A 18 18 CYS HA H 18 5.156 4.699 0.457 1
1 120 . 11 1 1 A 18 18 CYS CB C 18 32.523 29.997 2.526 1
1 123 . 11 1 1 A 18 18 CYS C C 18 176.223 175.616 0.607 1
1 124 . 11 1 1 A 19 19 GLY N N 19 113.235 110.148 3.087 1
1 125 . 11 1 1 A 19 19 GLY H H 19 8.138 8.151 -0.013 1
1 126 . 11 1 1 A 19 19 GLY CA C 19 46.304 45.143 1.161 1
1 127 . 11 1 1 A 19 19 GLY HA2 H 19 3.785 4.052 -0.267 1
1 128 . 11 1 1 A 19 19 GLY HA3 H 19 4.241 4.066 0.175 1
1 129 . 11 1 1 A 19 19 GLY C C 19 173.712 174.379 -0.667 1
1 130 . 11 1 1 A 20 20 LYS N N 20 123.349 122.018 1.331 1
1 131 . 11 1 1 A 20 20 LYS H H 20 8.040 7.529 0.511 1
1 132 . 11 1 1 A 20 20 LYS CA C 20 58.424 55.304 3.120 1
1 133 . 11 1 1 A 20 20 LYS HA H 20 3.919 4.414 -0.495 1
1 134 . 11 1 1 A 20 20 LYS CB C 20 33.699 33.073 0.626 1
1 146 . 11 1 1 A 20 20 LYS C C 20 173.678 175.386 -1.708 1
1 147 . 11 1 1 A 21 21 ALA N N 21 124.050 129.832 -5.782 1
1 148 . 11 1 1 A 21 21 ALA H H 21 7.783 8.711 -0.928 1
1 149 . 11 1 1 A 21 21 ALA CA C 21 50.427 50.190 0.237 1
1 150 . 11 1 1 A 21 21 ALA HA H 21 5.135 5.322 -0.187 1
1 151 . 11 1 1 A 21 21 ALA CB C 21 22.453 20.884 1.569 1
1 155 . 11 1 1 A 21 21 ALA C C 21 176.113 176.766 -0.653 1
1 156 . 11 1 1 A 22 22 PHE N N 22 116.580 120.439 -3.859 1
1 157 . 11 1 1 A 22 22 PHE H H 22 8.754 9.250 -0.496 1
1 158 . 11 1 1 A 22 22 PHE CA C 22 57.200 57.446 -0.246 1
1 159 . 11 1 1 A 22 22 PHE HA H 22 4.695 5.003 -0.308 1
1 160 . 11 1 1 A 22 22 PHE CB C 22 44.007 42.182 1.825 1
1 173 . 11 1 1 A 22 22 PHE C C 22 175.166 176.277 -1.111 1
1 174 . 11 1 1 A 23 23 ARG N N 23 120.122 121.980 -1.858 1
1 175 . 11 1 1 A 23 23 ARG H H 23 9.062 9.229 -0.167 1
1 176 . 11 1 1 A 23 23 ARG CA C 23 57.935 57.195 0.740 1
1 177 . 11 1 1 A 23 23 ARG HA H 23 4.503 4.569 -0.066 1
1 178 . 11 1 1 A 23 23 ARG CB C 23 31.133 32.058 -0.925 1
1 187 . 11 1 1 A 23 23 ARG C C 23 175.314 175.947 -0.633 1
1 188 . 11 1 1 A 24 24 ALA N N 24 118.433 118.130 0.303 1
1 189 . 11 1 1 A 24 24 ALA H H 24 7.636 7.851 -0.215 1
1 190 . 11 1 1 A 24 24 ALA CA C 24 50.400 50.697 -0.297 1
1 191 . 11 1 1 A 24 24 ALA HA H 24 4.860 4.984 -0.124 1
1 192 . 11 1 1 A 24 24 ALA CB C 24 21.958 21.734 0.224 1
1 196 . 11 1 1 A 24 24 ALA C C 24 176.866 177.716 -0.850 1
1 197 . 11 1 1 A 25 25 ARG N N 25 124.787 120.879 3.908 1
1 198 . 11 1 1 A 25 25 ARG H H 25 8.490 8.927 -0.437 1
1 199 . 11 1 1 A 25 25 ARG CA C 25 59.298 59.481 -0.183 1
1 200 . 11 1 1 A 25 25 ARG HA H 25 3.125 3.073 0.052 1
1 201 . 11 1 1 A 25 25 ARG CB C 25 29.270 30.015 -0.745 1
1 210 . 11 1 1 A 25 25 ARG C C 25 178.954 177.457 1.497 1
1 211 . 11 1 1 A 26 26 SER CA C 26 60.587 61.397 -0.810 1
1 212 . 11 1 1 A 26 26 SER HA H 26 4.057 3.998 0.059 1
1 213 . 11 1 1 A 26 26 SER CB C 26 61.336 63.029 -1.693 1
1 216 . 11 1 1 A 26 26 SER C C 26 177.007 176.961 0.046 1
1 217 . 11 1 1 A 27 27 SER N N 27 117.278 116.847 0.431 1
1 218 . 11 1 1 A 27 27 SER H H 27 6.825 7.871 -1.046 1
1 219 . 11 1 1 A 27 27 SER CA C 27 60.701 62.009 -1.308 1
1 220 . 11 1 1 A 27 27 SER HA H 27 4.167 4.002 0.165 1
1 221 . 11 1 1 A 27 27 SER CB C 27 62.349 62.916 -0.567 1
1 224 . 11 1 1 A 27 27 SER C C 27 176.462 175.581 0.881 1
1 225 . 11 1 1 A 28 28 LEU N N 28 123.661 121.681 1.980 1
1 226 . 11 1 1 A 28 28 LEU H H 28 7.171 7.713 -0.542 1
1 227 . 11 1 1 A 28 28 LEU CA C 28 57.758 56.867 0.891 1
1 228 . 11 1 1 A 28 28 LEU HA H 28 3.179 2.475 0.704 1
1 229 . 11 1 1 A 28 28 LEU CB C 28 40.196 41.456 -1.260 1
1 242 . 11 1 1 A 28 28 LEU C C 28 177.102 178.151 -1.049 1
1 243 . 11 1 1 A 29 29 ALA N N 29 121.695 120.739 0.956 1
1 244 . 11 1 1 A 29 29 ALA H H 29 7.996 8.192 -0.196 1
1 245 . 11 1 1 A 29 29 ALA CA C 29 55.373 55.265 0.108 1
1 246 . 11 1 1 A 29 29 ALA HA H 29 4.175 3.976 0.199 1
1 247 . 11 1 1 A 29 29 ALA CB C 29 17.751 18.458 -0.707 1
1 251 . 11 1 1 A 29 29 ALA C C 29 181.065 179.765 1.300 1
1 252 . 11 1 1 A 30 30 ILE N N 30 118.797 117.790 1.007 1
1 253 . 11 1 1 A 30 30 ILE H H 30 7.480 7.776 -0.296 1
1 254 . 11 1 1 A 30 30 ILE CA C 30 64.334 65.004 -0.670 1
1 255 . 11 1 1 A 30 30 ILE HA H 30 3.698 3.716 -0.018 1
1 256 . 11 1 1 A 30 30 ILE CB C 30 38.471 37.778 0.693 1
1 269 . 11 1 1 A 30 30 ILE C C 30 178.562 178.459 0.103 1
1 270 . 11 1 1 A 31 31 HIS N N 31 118.999 119.759 -0.760 1
1 271 . 11 1 1 A 31 31 HIS H H 31 7.443 8.023 -0.580 1
1 272 . 11 1 1 A 31 31 HIS CA C 31 59.207 59.460 -0.253 1
1 273 . 11 1 1 A 31 31 HIS HA H 31 4.235 4.260 -0.025 1
1 274 . 11 1 1 A 31 31 HIS CB C 31 28.607 29.998 -1.391 1
1 281 . 11 1 1 A 31 31 HIS C C 31 178.221 177.515 0.706 1
1 282 . 11 1 1 A 32 32 GLN N N 32 120.561 117.642 2.919 1
1 283 . 11 1 1 A 32 32 GLN H H 32 9.107 8.595 0.512 1
1 284 . 11 1 1 A 32 32 GLN CA C 32 59.849 58.554 1.295 1
1 285 . 11 1 1 A 32 32 GLN HA H 32 3.717 3.818 -0.101 1
1 286 . 11 1 1 A 32 32 GLN CB C 32 28.269 28.178 0.091 1
1 295 . 11 1 1 A 32 32 GLN C C 32 177.933 177.417 0.516 1
1 296 . 11 1 1 A 33 33 ALA N N 33 120.580 121.099 -0.519 1
1 297 . 11 1 1 A 33 33 ALA H H 33 7.225 7.278 -0.053 1
1 298 . 11 1 1 A 33 33 ALA CA C 33 54.275 53.007 1.268 1
1 299 . 11 1 1 A 33 33 ALA HA H 33 4.223 4.218 0.005 1
1 300 . 11 1 1 A 33 33 ALA CB C 33 18.072 17.855 0.217 1
1 304 . 11 1 1 A 33 33 ALA C C 33 179.277 177.929 1.348 1
1 305 . 11 1 1 A 34 34 THR N N 34 108.871 108.371 0.500 1
1 306 . 11 1 1 A 34 34 THR H H 34 7.690 7.756 -0.066 1
1 307 . 11 1 1 A 34 34 THR CA C 34 63.808 62.501 1.307 1
1 308 . 11 1 1 A 34 34 THR HA H 34 4.152 4.396 -0.244 1
1 309 . 11 1 1 A 34 34 THR CB C 34 69.413 69.959 -0.546 1
1 315 . 11 1 1 A 34 34 THR C C 34 175.831 176.084 -0.253 1
1 316 . 11 1 1 A 35 35 HIS N N 35 118.845 119.306 -0.461 1
1 317 . 11 1 1 A 35 35 HIS H H 35 7.183 7.481 -0.298 1
1 318 . 11 1 1 A 35 35 HIS CA C 35 55.596 58.504 -2.908 1
1 319 . 11 1 1 A 35 35 HIS HA H 35 4.800 4.435 0.365 1
1 320 . 11 1 1 A 35 35 HIS CB C 35 28.675 30.558 -1.883 1
1 327 . 11 1 1 A 35 35 HIS C C 35 175.495 175.549 -0.054 1
1 328 . 11 1 1 A 36 36 SER N N 36 115.119 111.628 3.491 1
1 329 . 11 1 1 A 36 36 SER H H 36 7.871 7.267 0.604 1
1 330 . 11 1 1 A 36 36 SER CA C 36 58.965 58.102 0.863 1
1 331 . 11 1 1 A 36 36 SER HA H 36 4.444 4.402 0.042 1
1 332 . 11 1 1 A 36 36 SER CB C 36 63.882 64.847 -0.965 1
1 335 . 11 1 1 A 36 36 SER C C 36 175.070 174.025 1.045 1
1 336 . 11 1 1 A 37 37 GLY N N 37 110.906 108.150 2.756 1
1 337 . 11 1 1 A 37 37 GLY H H 37 8.364 8.533 -0.169 1
1 338 . 11 1 1 A 37 37 GLY CA C 37 45.222 43.832 1.390 1
1 339 . 11 1 1 A 37 37 GLY HA2 H 37 3.977 4.187 -0.210 1
1 340 . 11 1 1 A 37 37 GLY HA3 H 37 3.901 4.191 -0.290 1
1 341 . 11 1 1 A 37 37 GLY C C 37 174.068 172.886 1.182 1
1 342 . 11 1 1 A 38 38 GLU N N 38 120.200 120.150 0.050 1
1 343 . 11 1 1 A 38 38 GLU H H 38 8.198 8.278 -0.080 1
1 344 . 11 1 1 A 38 38 GLU CA C 38 56.989 57.010 -0.021 1
1 345 . 11 1 1 A 38 38 GLU HA H 38 4.140 4.283 -0.143 1
1 346 . 11 1 1 A 38 38 GLU CB C 38 30.446 30.437 0.009 1
1 352 . 11 1 1 A 38 38 GLU C C 38 176.270 175.466 0.804 1
1 353 . 11 1 1 A 39 39 LYS N N 39 120.907 127.886 -6.979 1
1 354 . 11 1 1 A 39 39 LYS H H 39 8.233 8.734 -0.501 1
1 355 . 11 1 1 A 39 39 LYS CA C 39 53.740 52.974 0.766 1
1 356 . 11 1 1 A 39 39 LYS HA H 39 4.464 4.973 -0.509 1
1 357 . 11 1 1 A 39 39 LYS CB C 39 33.224 33.434 -0.210 1
1 369 . 11 1 1 A 39 39 LYS C C 39 173.830 174.370 -0.540 1
1 370 . 11 1 1 A 40 40 PRO CA C 40 63.189 62.904 0.285 1
1 371 . 11 1 1 A 40 40 PRO HA H 40 4.462 4.433 0.029 1
1 372 . 11 1 1 A 40 40 PRO CB C 40 32.177 32.072 0.105 1
1 381 . 11 1 1 A 41 41 SER N N 41 116.632 118.143 -1.511 1
1 382 . 11 1 1 A 41 41 SER H H 41 8.507 8.461 0.046 1
1 383 . 11 1 1 A 41 41 SER CA C 41 58.580 59.812 -1.232 1
1 384 . 11 1 1 A 41 41 SER HA H 41 4.502 4.227 0.275 1
1 385 . 11 1 1 A 41 41 SER CB C 41 63.908 63.023 0.885 1
1 388 . 11 1 1 A 42 42 GLY N N 42 110.670 113.532 -2.862 1
1 389 . 11 1 1 A 42 42 GLY H H 42 8.222 8.390 -0.168 1
1 390 . 11 1 1 A 42 42 GLY CA C 42 44.675 45.696 -1.021 1
1 391 . 11 1 1 A 42 42 GLY HA2 H 42 4.151 4.246 -0.095 1
1 392 . 11 1 1 A 42 42 GLY HA3 H 42 4.079 4.247 -0.168 1
1 393 . 11 1 1 A 43 43 PRO CA C 43 63.074 63.446 -0.372 1
1 394 . 11 1 1 A 43 43 PRO HA H 43 4.462 4.564 -0.102 1
1 395 . 11 1 1 A 43 43 PRO CB C 43 32.165 31.995 0.170 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.936 62.909 -0.973 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.334 4.048 0.286 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.790 66.692 3.098 1
1 9 . 12 1 1 A 9 9 GLY CA C 9 45.303 45.796 -0.493 1
1 10 . 12 1 1 A 9 9 GLY HA2 H 9 3.975 4.019 -0.044 1
1 11 . 12 1 1 A 9 9 GLY HA3 H 9 3.975 4.020 -0.045 1
1 12 . 12 1 1 A 9 9 GLY C C 9 174.030 171.827 2.203 1
1 13 . 12 1 1 A 10 10 GLU N N 10 120.522 126.148 -5.626 1
1 14 . 12 1 1 A 10 10 GLU H H 10 8.138 8.820 -0.682 1
1 15 . 12 1 1 A 10 10 GLU CA C 10 56.348 55.717 0.631 1
1 16 . 12 1 1 A 10 10 GLU HA H 10 4.254 4.848 -0.594 1
1 17 . 12 1 1 A 10 10 GLU CB C 10 30.590 31.064 -0.474 1
1 23 . 12 1 1 A 10 10 GLU C C 10 176.309 175.274 1.035 1
1 24 . 12 1 1 A 11 11 LYS N N 11 123.786 121.528 2.258 1
1 25 . 12 1 1 A 11 11 LYS H H 11 8.422 8.568 -0.146 1
1 26 . 12 1 1 A 11 11 LYS CA C 11 54.092 53.281 0.811 1
1 27 . 12 1 1 A 11 11 LYS HA H 11 4.614 4.817 -0.203 1
1 28 . 12 1 1 A 11 11 LYS CB C 11 32.512 32.586 -0.074 1
1 40 . 12 1 1 A 11 11 LYS C C 11 174.485 175.996 -1.511 1
1 41 . 12 1 1 A 12 12 PRO CA C 12 63.537 64.635 -1.098 1
1 42 . 12 1 1 A 12 12 PRO HA H 12 4.222 4.360 -0.138 1
1 43 . 12 1 1 A 12 12 PRO CB C 12 32.294 32.046 0.248 1
1 52 . 12 1 1 A 12 12 PRO C C 12 176.522 175.881 0.641 1
1 53 . 12 1 1 A 13 13 TYR N N 13 118.425 118.200 0.225 1
1 54 . 12 1 1 A 13 13 TYR H H 13 7.747 7.558 0.189 1
1 55 . 12 1 1 A 13 13 TYR CA C 13 57.492 56.502 0.990 1
1 56 . 12 1 1 A 13 13 TYR HA H 13 4.643 5.432 -0.789 1
1 57 . 12 1 1 A 13 13 TYR CB C 13 38.298 42.427 -4.129 1
1 68 . 12 1 1 A 13 13 TYR C C 13 174.436 174.480 -0.044 1
1 69 . 12 1 1 A 14 14 LYS N N 14 125.064 122.063 3.001 1
1 70 . 12 1 1 A 14 14 LYS H H 14 8.580 8.823 -0.243 1
1 71 . 12 1 1 A 14 14 LYS CA C 14 55.150 55.697 -0.547 1
1 72 . 12 1 1 A 14 14 LYS HA H 14 4.934 5.108 -0.174 1
1 73 . 12 1 1 A 14 14 LYS CB C 14 35.364 36.882 -1.518 1
1 85 . 12 1 1 A 14 14 LYS C C 14 175.164 174.172 0.992 1
1 86 . 12 1 1 A 15 15 CYS N N 15 126.356 124.174 2.182 1
1 87 . 12 1 1 A 15 15 CYS H H 15 9.216 8.622 0.594 1
1 88 . 12 1 1 A 15 15 CYS CA C 15 59.505 58.182 1.323 1
1 89 . 12 1 1 A 15 15 CYS HA H 15 4.499 4.938 -0.439 1
1 90 . 12 1 1 A 15 15 CYS CB C 15 29.802 29.774 0.028 1
1 93 . 12 1 1 A 15 15 CYS C C 15 177.060 176.672 0.388 1
1 94 . 12 1 1 A 16 16 ASN N N 16 130.128 123.585 6.543 1
1 95 . 12 1 1 A 16 16 ASN H H 16 9.375 8.676 0.699 1
1 96 . 12 1 1 A 16 16 ASN CA C 16 55.567 53.076 2.491 1
1 97 . 12 1 1 A 16 16 ASN HA H 16 4.526 4.758 -0.232 1
1 98 . 12 1 1 A 16 16 ASN CB C 16 38.377 38.213 0.164 1
1 104 . 12 1 1 A 16 16 ASN C C 16 175.395 175.785 -0.390 1
1 105 . 12 1 1 A 17 17 GLU N N 17 121.112 117.700 3.412 1
1 106 . 12 1 1 A 17 17 GLU H H 17 8.801 7.476 1.325 1
1 107 . 12 1 1 A 17 17 GLU CA C 17 58.384 58.428 -0.044 1
1 108 . 12 1 1 A 17 17 GLU HA H 17 4.227 4.170 0.057 1
1 109 . 12 1 1 A 17 17 GLU CB C 17 29.679 30.083 -0.404 1
1 115 . 12 1 1 A 17 17 GLU C C 17 177.104 178.169 -1.065 1
1 116 . 12 1 1 A 18 18 CYS N N 18 114.836 114.871 -0.035 1
1 117 . 12 1 1 A 18 18 CYS H H 18 7.953 8.154 -0.201 1
1 118 . 12 1 1 A 18 18 CYS CA C 18 58.341 59.732 -1.391 1
1 119 . 12 1 1 A 18 18 CYS HA H 18 5.156 4.677 0.479 1
1 120 . 12 1 1 A 18 18 CYS CB C 18 32.523 29.643 2.880 1
1 123 . 12 1 1 A 18 18 CYS C C 18 176.223 175.284 0.939 1
1 124 . 12 1 1 A 19 19 GLY N N 19 113.235 110.070 3.165 1
1 125 . 12 1 1 A 19 19 GLY H H 19 8.138 8.127 0.011 1
1 126 . 12 1 1 A 19 19 GLY CA C 19 46.304 45.354 0.950 1
1 127 . 12 1 1 A 19 19 GLY HA2 H 19 3.785 4.065 -0.280 1
1 128 . 12 1 1 A 19 19 GLY HA3 H 19 4.241 4.084 0.157 1
1 129 . 12 1 1 A 19 19 GLY C C 19 173.712 174.351 -0.639 1
1 130 . 12 1 1 A 20 20 LYS N N 20 123.349 121.277 2.072 1
1 131 . 12 1 1 A 20 20 LYS H H 20 8.040 7.769 0.271 1
1 132 . 12 1 1 A 20 20 LYS CA C 20 58.424 54.739 3.685 1
1 133 . 12 1 1 A 20 20 LYS HA H 20 3.919 4.454 -0.535 1
1 134 . 12 1 1 A 20 20 LYS CB C 20 33.699 33.656 0.043 1
1 146 . 12 1 1 A 20 20 LYS C C 20 173.678 175.053 -1.375 1
1 147 . 12 1 1 A 21 21 ALA N N 21 124.050 129.934 -5.884 1
1 148 . 12 1 1 A 21 21 ALA H H 21 7.783 8.703 -0.920 1
1 149 . 12 1 1 A 21 21 ALA CA C 21 50.427 50.651 -0.224 1
1 150 . 12 1 1 A 21 21 ALA HA H 21 5.135 5.015 0.120 1
1 151 . 12 1 1 A 21 21 ALA CB C 21 22.453 20.184 2.269 1
1 155 . 12 1 1 A 21 21 ALA C C 21 176.113 176.960 -0.847 1
1 156 . 12 1 1 A 22 22 PHE N N 22 116.580 121.058 -4.478 1
1 157 . 12 1 1 A 22 22 PHE H H 22 8.754 9.176 -0.422 1
1 158 . 12 1 1 A 22 22 PHE CA C 22 57.200 57.272 -0.072 1
1 159 . 12 1 1 A 22 22 PHE HA H 22 4.695 5.094 -0.399 1
1 160 . 12 1 1 A 22 22 PHE CB C 22 44.007 42.341 1.666 1
1 173 . 12 1 1 A 22 22 PHE C C 22 175.166 175.854 -0.688 1
1 174 . 12 1 1 A 23 23 ARG N N 23 120.122 121.855 -1.733 1
1 175 . 12 1 1 A 23 23 ARG H H 23 9.062 9.014 0.048 1
1 176 . 12 1 1 A 23 23 ARG CA C 23 57.935 55.989 1.946 1
1 177 . 12 1 1 A 23 23 ARG HA H 23 4.503 4.656 -0.153 1
1 178 . 12 1 1 A 23 23 ARG CB C 23 31.133 32.026 -0.893 1
1 187 . 12 1 1 A 23 23 ARG C C 23 175.314 175.361 -0.047 1
1 188 . 12 1 1 A 24 24 ALA N N 24 118.433 119.503 -1.070 1
1 189 . 12 1 1 A 24 24 ALA H H 24 7.636 7.750 -0.114 1
1 190 . 12 1 1 A 24 24 ALA CA C 24 50.400 50.893 -0.493 1
1 191 . 12 1 1 A 24 24 ALA HA H 24 4.860 4.746 0.114 1
1 192 . 12 1 1 A 24 24 ALA CB C 24 21.958 21.791 0.167 1
1 196 . 12 1 1 A 24 24 ALA C C 24 176.866 177.568 -0.702 1
1 197 . 12 1 1 A 25 25 ARG N N 25 124.787 123.518 1.269 1
1 198 . 12 1 1 A 25 25 ARG H H 25 8.490 8.887 -0.397 1
1 199 . 12 1 1 A 25 25 ARG CA C 25 59.298 58.680 0.618 1
1 200 . 12 1 1 A 25 25 ARG HA H 25 3.125 3.218 -0.093 1
1 201 . 12 1 1 A 25 25 ARG CB C 25 29.270 29.627 -0.357 1
1 210 . 12 1 1 A 25 25 ARG C C 25 178.954 177.569 1.385 1
1 211 . 12 1 1 A 26 26 SER CA C 26 60.587 59.664 0.923 1
1 212 . 12 1 1 A 26 26 SER HA H 26 4.057 4.230 -0.173 1
1 213 . 12 1 1 A 26 26 SER CB C 26 61.336 62.637 -1.301 1
1 216 . 12 1 1 A 26 26 SER C C 26 177.007 175.858 1.149 1
1 217 . 12 1 1 A 27 27 SER N N 27 117.278 115.015 2.263 1
1 218 . 12 1 1 A 27 27 SER H H 27 6.825 7.745 -0.920 1
1 219 . 12 1 1 A 27 27 SER CA C 27 60.701 61.276 -0.575 1
1 220 . 12 1 1 A 27 27 SER HA H 27 4.167 4.296 -0.129 1
1 221 . 12 1 1 A 27 27 SER CB C 27 62.349 63.065 -0.716 1
1 224 . 12 1 1 A 27 27 SER C C 27 176.462 176.871 -0.409 1
1 225 . 12 1 1 A 28 28 LEU N N 28 123.661 122.403 1.258 1
1 226 . 12 1 1 A 28 28 LEU H H 28 7.171 7.269 -0.098 1
1 227 . 12 1 1 A 28 28 LEU CA C 28 57.758 56.817 0.941 1
1 228 . 12 1 1 A 28 28 LEU HA H 28 3.179 2.646 0.533 1
1 229 . 12 1 1 A 28 28 LEU CB C 28 40.196 41.169 -0.973 1
1 242 . 12 1 1 A 28 28 LEU C C 28 177.102 178.272 -1.170 1
1 243 . 12 1 1 A 29 29 ALA N N 29 121.695 121.001 0.694 1
1 244 . 12 1 1 A 29 29 ALA H H 29 7.996 8.037 -0.041 1
1 245 . 12 1 1 A 29 29 ALA CA C 29 55.373 55.350 0.023 1
1 246 . 12 1 1 A 29 29 ALA HA H 29 4.175 3.995 0.180 1
1 247 . 12 1 1 A 29 29 ALA CB C 29 17.751 18.432 -0.681 1
1 251 . 12 1 1 A 29 29 ALA C C 29 181.065 179.730 1.335 1
1 252 . 12 1 1 A 30 30 ILE N N 30 118.797 117.789 1.008 1
1 253 . 12 1 1 A 30 30 ILE H H 30 7.480 7.512 -0.032 1
1 254 . 12 1 1 A 30 30 ILE CA C 30 64.334 65.061 -0.727 1
1 255 . 12 1 1 A 30 30 ILE HA H 30 3.698 3.744 -0.046 1
1 256 . 12 1 1 A 30 30 ILE CB C 30 38.471 37.797 0.674 1
1 269 . 12 1 1 A 30 30 ILE C C 30 178.562 178.539 0.023 1
1 270 . 12 1 1 A 31 31 HIS N N 31 118.999 120.550 -1.551 1
1 271 . 12 1 1 A 31 31 HIS H H 31 7.443 8.076 -0.633 1
1 272 . 12 1 1 A 31 31 HIS CA C 31 59.207 59.483 -0.276 1
1 273 . 12 1 1 A 31 31 HIS HA H 31 4.235 4.317 -0.082 1
1 274 . 12 1 1 A 31 31 HIS CB C 31 28.607 30.127 -1.520 1
1 281 . 12 1 1 A 31 31 HIS C C 31 178.221 177.541 0.680 1
1 282 . 12 1 1 A 32 32 GLN N N 32 120.561 117.576 2.985 1
1 283 . 12 1 1 A 32 32 GLN H H 32 9.107 8.531 0.576 1
1 284 . 12 1 1 A 32 32 GLN CA C 32 59.849 58.651 1.198 1
1 285 . 12 1 1 A 32 32 GLN HA H 32 3.717 3.808 -0.091 1
1 286 . 12 1 1 A 32 32 GLN CB C 32 28.269 28.142 0.127 1
1 295 . 12 1 1 A 32 32 GLN C C 32 177.933 177.402 0.531 1
1 296 . 12 1 1 A 33 33 ALA N N 33 120.580 121.212 -0.632 1
1 297 . 12 1 1 A 33 33 ALA H H 33 7.225 7.240 -0.015 1
1 298 . 12 1 1 A 33 33 ALA CA C 33 54.275 53.225 1.050 1
1 299 . 12 1 1 A 33 33 ALA HA H 33 4.223 4.170 0.053 1
1 300 . 12 1 1 A 33 33 ALA CB C 33 18.072 17.907 0.165 1
1 304 . 12 1 1 A 33 33 ALA C C 33 179.277 177.905 1.372 1
1 305 . 12 1 1 A 34 34 THR N N 34 108.871 112.113 -3.242 1
1 306 . 12 1 1 A 34 34 THR H H 34 7.690 8.412 -0.722 1
1 307 . 12 1 1 A 34 34 THR CA C 34 63.808 62.851 0.957 1
1 308 . 12 1 1 A 34 34 THR HA H 34 4.152 4.496 -0.344 1
1 309 . 12 1 1 A 34 34 THR CB C 34 69.413 70.662 -1.249 1
1 315 . 12 1 1 A 34 34 THR C C 34 175.831 175.697 0.134 1
1 316 . 12 1 1 A 35 35 HIS N N 35 118.845 117.373 1.472 1
1 317 . 12 1 1 A 35 35 HIS H H 35 7.183 7.643 -0.460 1
1 318 . 12 1 1 A 35 35 HIS CA C 35 55.596 54.980 0.616 1
1 319 . 12 1 1 A 35 35 HIS HA H 35 4.800 4.696 0.104 1
1 320 . 12 1 1 A 35 35 HIS CB C 35 28.675 28.863 -0.188 1
1 327 . 12 1 1 A 35 35 HIS C C 35 175.495 175.000 0.495 1
1 328 . 12 1 1 A 36 36 SER N N 36 115.119 117.005 -1.886 1
1 329 . 12 1 1 A 36 36 SER H H 36 7.871 7.461 0.410 1
1 330 . 12 1 1 A 36 36 SER CA C 36 58.965 58.922 0.043 1
1 331 . 12 1 1 A 36 36 SER HA H 36 4.444 4.225 0.219 1
1 332 . 12 1 1 A 36 36 SER CB C 36 63.882 63.696 0.186 1
1 335 . 12 1 1 A 36 36 SER C C 36 175.070 174.222 0.848 1
1 336 . 12 1 1 A 37 37 GLY N N 37 110.906 114.033 -3.127 1
1 337 . 12 1 1 A 37 37 GLY H H 37 8.364 8.573 -0.209 1
1 338 . 12 1 1 A 37 37 GLY CA C 37 45.222 45.382 -0.160 1
1 339 . 12 1 1 A 37 37 GLY HA2 H 37 3.977 4.255 -0.278 1
1 340 . 12 1 1 A 37 37 GLY HA3 H 37 3.901 4.258 -0.357 1
1 341 . 12 1 1 A 37 37 GLY C C 37 174.068 172.245 1.823 1
1 342 . 12 1 1 A 38 38 GLU N N 38 120.200 121.707 -1.507 1
1 343 . 12 1 1 A 38 38 GLU H H 38 8.198 8.742 -0.544 1
1 344 . 12 1 1 A 38 38 GLU CA C 38 56.989 55.895 1.094 1
1 345 . 12 1 1 A 38 38 GLU HA H 38 4.140 4.966 -0.826 1
1 346 . 12 1 1 A 38 38 GLU CB C 38 30.446 32.855 -2.409 1
1 352 . 12 1 1 A 38 38 GLU C C 38 176.270 174.057 2.213 1
1 353 . 12 1 1 A 39 39 LYS N N 39 120.907 127.763 -6.856 1
1 354 . 12 1 1 A 39 39 LYS H H 39 8.233 8.820 -0.587 1
1 355 . 12 1 1 A 39 39 LYS CA C 39 53.740 52.776 0.964 1
1 356 . 12 1 1 A 39 39 LYS HA H 39 4.464 4.917 -0.453 1
1 357 . 12 1 1 A 39 39 LYS CB C 39 33.224 33.098 0.126 1
1 369 . 12 1 1 A 39 39 LYS C C 39 173.830 175.189 -1.359 1
1 370 . 12 1 1 A 40 40 PRO CA C 40 63.189 64.470 -1.281 1
1 371 . 12 1 1 A 40 40 PRO HA H 40 4.462 4.352 0.110 1
1 372 . 12 1 1 A 40 40 PRO CB C 40 32.177 31.927 0.250 1
1 381 . 12 1 1 A 41 41 SER N N 41 116.632 111.082 5.550 1
1 382 . 12 1 1 A 41 41 SER H H 41 8.507 8.220 0.287 1
1 383 . 12 1 1 A 41 41 SER CA C 41 58.580 61.108 -2.528 1
1 384 . 12 1 1 A 41 41 SER HA H 41 4.502 4.223 0.279 1
1 385 . 12 1 1 A 41 41 SER CB C 41 63.908 62.483 1.425 1
1 388 . 12 1 1 A 42 42 GLY N N 42 110.670 107.775 2.895 1
1 389 . 12 1 1 A 42 42 GLY H H 42 8.222 7.830 0.392 1
1 390 . 12 1 1 A 42 42 GLY CA C 42 44.675 45.427 -0.752 1
1 391 . 12 1 1 A 42 42 GLY HA2 H 42 4.151 4.388 -0.237 1
1 392 . 12 1 1 A 42 42 GLY HA3 H 42 4.079 4.388 -0.309 1
1 393 . 12 1 1 A 43 43 PRO CA C 43 63.074 64.249 -1.175 1
1 394 . 12 1 1 A 43 43 PRO HA H 43 4.462 4.483 -0.021 1
1 395 . 12 1 1 A 43 43 PRO CB C 43 32.165 31.790 0.375 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.936 59.525 2.411 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.334 4.966 -0.632 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.790 71.801 -2.011 1
1 9 . 13 1 1 A 9 9 GLY CA C 9 45.303 46.356 -1.053 1
1 10 . 13 1 1 A 9 9 GLY HA2 H 9 3.975 3.949 0.026 1
1 11 . 13 1 1 A 9 9 GLY HA3 H 9 3.975 3.951 0.024 1
1 12 . 13 1 1 A 9 9 GLY C C 9 174.030 175.040 -1.010 1
1 13 . 13 1 1 A 10 10 GLU N N 10 120.522 118.157 2.365 1
1 14 . 13 1 1 A 10 10 GLU H H 10 8.138 8.272 -0.134 1
1 15 . 13 1 1 A 10 10 GLU CA C 10 56.348 56.172 0.176 1
1 16 . 13 1 1 A 10 10 GLU HA H 10 4.254 4.400 -0.146 1
1 17 . 13 1 1 A 10 10 GLU CB C 10 30.590 30.053 0.537 1
1 23 . 13 1 1 A 10 10 GLU C C 10 176.309 174.897 1.412 1
1 24 . 13 1 1 A 11 11 LYS N N 11 123.786 117.950 5.836 1
1 25 . 13 1 1 A 11 11 LYS H H 11 8.422 7.385 1.037 1
1 26 . 13 1 1 A 11 11 LYS CA C 11 54.092 53.177 0.915 1
1 27 . 13 1 1 A 11 11 LYS HA H 11 4.614 4.754 -0.140 1
1 28 . 13 1 1 A 11 11 LYS CB C 11 32.512 34.978 -2.466 1
1 40 . 13 1 1 A 11 11 LYS C C 11 174.485 176.028 -1.543 1
1 41 . 13 1 1 A 12 12 PRO CA C 12 63.537 64.940 -1.403 1
1 42 . 13 1 1 A 12 12 PRO HA H 12 4.222 4.253 -0.031 1
1 43 . 13 1 1 A 12 12 PRO CB C 12 32.294 31.630 0.664 1
1 52 . 13 1 1 A 12 12 PRO C C 12 176.522 175.912 0.610 1
1 53 . 13 1 1 A 13 13 TYR N N 13 118.425 117.969 0.456 1
1 54 . 13 1 1 A 13 13 TYR H H 13 7.747 7.550 0.197 1
1 55 . 13 1 1 A 13 13 TYR CA C 13 57.492 56.883 0.609 1
1 56 . 13 1 1 A 13 13 TYR HA H 13 4.643 5.407 -0.764 1
1 57 . 13 1 1 A 13 13 TYR CB C 13 38.298 41.646 -3.348 1
1 68 . 13 1 1 A 13 13 TYR C C 13 174.436 174.609 -0.173 1
1 69 . 13 1 1 A 14 14 LYS N N 14 125.064 121.904 3.160 1
1 70 . 13 1 1 A 14 14 LYS H H 14 8.580 8.820 -0.240 1
1 71 . 13 1 1 A 14 14 LYS CA C 14 55.150 55.902 -0.752 1
1 72 . 13 1 1 A 14 14 LYS HA H 14 4.934 4.935 -0.001 1
1 73 . 13 1 1 A 14 14 LYS CB C 14 35.364 36.221 -0.857 1
1 85 . 13 1 1 A 14 14 LYS C C 14 175.164 174.372 0.792 1
1 86 . 13 1 1 A 15 15 CYS N N 15 126.356 123.834 2.522 1
1 87 . 13 1 1 A 15 15 CYS H H 15 9.216 9.071 0.145 1
1 88 . 13 1 1 A 15 15 CYS CA C 15 59.505 59.574 -0.069 1
1 89 . 13 1 1 A 15 15 CYS HA H 15 4.499 4.707 -0.208 1
1 90 . 13 1 1 A 15 15 CYS CB C 15 29.802 28.787 1.015 1
1 93 . 13 1 1 A 15 15 CYS C C 15 177.060 176.232 0.828 1
1 94 . 13 1 1 A 16 16 ASN N N 16 130.128 122.234 7.894 1
1 95 . 13 1 1 A 16 16 ASN H H 16 9.375 8.498 0.877 1
1 96 . 13 1 1 A 16 16 ASN CA C 16 55.567 52.361 3.206 1
1 97 . 13 1 1 A 16 16 ASN HA H 16 4.526 5.006 -0.480 1
1 98 . 13 1 1 A 16 16 ASN CB C 16 38.377 39.043 -0.666 1
1 104 . 13 1 1 A 16 16 ASN C C 16 175.395 176.467 -1.072 1
1 105 . 13 1 1 A 17 17 GLU N N 17 121.112 117.827 3.285 1
1 106 . 13 1 1 A 17 17 GLU H H 17 8.801 7.524 1.277 1
1 107 . 13 1 1 A 17 17 GLU CA C 17 58.384 58.180 0.204 1
1 108 . 13 1 1 A 17 17 GLU HA H 17 4.227 4.178 0.049 1
1 109 . 13 1 1 A 17 17 GLU CB C 17 29.679 30.087 -0.408 1
1 115 . 13 1 1 A 17 17 GLU C C 17 177.104 177.846 -0.742 1
1 116 . 13 1 1 A 18 18 CYS N N 18 114.836 115.077 -0.241 1
1 117 . 13 1 1 A 18 18 CYS H H 18 7.953 8.013 -0.060 1
1 118 . 13 1 1 A 18 18 CYS CA C 18 58.341 59.714 -1.373 1
1 119 . 13 1 1 A 18 18 CYS HA H 18 5.156 4.680 0.476 1
1 120 . 13 1 1 A 18 18 CYS CB C 18 32.523 29.831 2.692 1
1 123 . 13 1 1 A 18 18 CYS C C 18 176.223 175.516 0.707 1
1 124 . 13 1 1 A 19 19 GLY N N 19 113.235 110.014 3.221 1
1 125 . 13 1 1 A 19 19 GLY H H 19 8.138 8.070 0.068 1
1 126 . 13 1 1 A 19 19 GLY CA C 19 46.304 45.011 1.293 1
1 127 . 13 1 1 A 19 19 GLY HA2 H 19 3.785 4.074 -0.289 1
1 128 . 13 1 1 A 19 19 GLY HA3 H 19 4.241 4.093 0.148 1
1 129 . 13 1 1 A 19 19 GLY C C 19 173.712 174.674 -0.962 1
1 130 . 13 1 1 A 20 20 LYS N N 20 123.349 120.478 2.871 1
1 131 . 13 1 1 A 20 20 LYS H H 20 8.040 7.160 0.880 1
1 132 . 13 1 1 A 20 20 LYS CA C 20 58.424 56.186 2.238 1
1 133 . 13 1 1 A 20 20 LYS HA H 20 3.919 4.074 -0.155 1
1 134 . 13 1 1 A 20 20 LYS CB C 20 33.699 32.480 1.219 1
1 146 . 13 1 1 A 20 20 LYS C C 20 173.678 175.282 -1.604 1
1 147 . 13 1 1 A 21 21 ALA N N 21 124.050 128.759 -4.709 1
1 148 . 13 1 1 A 21 21 ALA H H 21 7.783 8.504 -0.721 1
1 149 . 13 1 1 A 21 21 ALA CA C 21 50.427 50.255 0.172 1
1 150 . 13 1 1 A 21 21 ALA HA H 21 5.135 5.345 -0.210 1
1 151 . 13 1 1 A 21 21 ALA CB C 21 22.453 20.827 1.626 1
1 155 . 13 1 1 A 21 21 ALA C C 21 176.113 176.460 -0.347 1
1 156 . 13 1 1 A 22 22 PHE N N 22 116.580 119.539 -2.959 1
1 157 . 13 1 1 A 22 22 PHE H H 22 8.754 8.947 -0.193 1
1 158 . 13 1 1 A 22 22 PHE CA C 22 57.200 57.141 0.059 1
1 159 . 13 1 1 A 22 22 PHE HA H 22 4.695 4.992 -0.297 1
1 160 . 13 1 1 A 22 22 PHE CB C 22 44.007 43.026 0.981 1
1 173 . 13 1 1 A 22 22 PHE C C 22 175.166 175.948 -0.782 1
1 174 . 13 1 1 A 23 23 ARG N N 23 120.122 118.960 1.162 1
1 175 . 13 1 1 A 23 23 ARG H H 23 9.062 8.763 0.299 1
1 176 . 13 1 1 A 23 23 ARG CA C 23 57.935 56.573 1.362 1
1 177 . 13 1 1 A 23 23 ARG HA H 23 4.503 4.586 -0.083 1
1 178 . 13 1 1 A 23 23 ARG CB C 23 31.133 31.688 -0.555 1
1 187 . 13 1 1 A 23 23 ARG C C 23 175.314 176.155 -0.841 1
1 188 . 13 1 1 A 24 24 ALA N N 24 118.433 121.570 -3.137 1
1 189 . 13 1 1 A 24 24 ALA H H 24 7.636 7.833 -0.197 1
1 190 . 13 1 1 A 24 24 ALA CA C 24 50.400 50.883 -0.483 1
1 191 . 13 1 1 A 24 24 ALA HA H 24 4.860 4.866 -0.006 1
1 192 . 13 1 1 A 24 24 ALA CB C 24 21.958 21.929 0.029 1
1 196 . 13 1 1 A 24 24 ALA C C 24 176.866 177.677 -0.811 1
1 197 . 13 1 1 A 25 25 ARG N N 25 124.787 121.097 3.690 1
1 198 . 13 1 1 A 25 25 ARG H H 25 8.490 8.972 -0.482 1
1 199 . 13 1 1 A 25 25 ARG CA C 25 59.298 59.459 -0.161 1
1 200 . 13 1 1 A 25 25 ARG HA H 25 3.125 3.091 0.034 1
1 201 . 13 1 1 A 25 25 ARG CB C 25 29.270 29.827 -0.557 1
1 210 . 13 1 1 A 25 25 ARG C C 25 178.954 177.715 1.239 1
1 211 . 13 1 1 A 26 26 SER CA C 26 60.587 61.791 -1.204 1
1 212 . 13 1 1 A 26 26 SER HA H 26 4.057 4.074 -0.017 1
1 213 . 13 1 1 A 26 26 SER CB C 26 61.336 63.024 -1.688 1
1 216 . 13 1 1 A 26 26 SER C C 26 177.007 176.532 0.475 1
1 217 . 13 1 1 A 27 27 SER N N 27 117.278 117.674 -0.396 1
1 218 . 13 1 1 A 27 27 SER H H 27 6.825 7.910 -1.085 1
1 219 . 13 1 1 A 27 27 SER CA C 27 60.701 61.910 -1.209 1
1 220 . 13 1 1 A 27 27 SER HA H 27 4.167 4.085 0.082 1
1 221 . 13 1 1 A 27 27 SER CB C 27 62.349 62.856 -0.507 1
1 224 . 13 1 1 A 27 27 SER C C 27 176.462 175.534 0.928 1
1 225 . 13 1 1 A 28 28 LEU N N 28 123.661 121.581 2.080 1
1 226 . 13 1 1 A 28 28 LEU H H 28 7.171 7.770 -0.599 1
1 227 . 13 1 1 A 28 28 LEU CA C 28 57.758 56.897 0.861 1
1 228 . 13 1 1 A 28 28 LEU HA H 28 3.179 2.692 0.487 1
1 229 . 13 1 1 A 28 28 LEU CB C 28 40.196 41.626 -1.430 1
1 242 . 13 1 1 A 28 28 LEU C C 28 177.102 177.992 -0.890 1
1 243 . 13 1 1 A 29 29 ALA N N 29 121.695 120.810 0.885 1
1 244 . 13 1 1 A 29 29 ALA H H 29 7.996 8.122 -0.126 1
1 245 . 13 1 1 A 29 29 ALA CA C 29 55.373 55.320 0.053 1
1 246 . 13 1 1 A 29 29 ALA HA H 29 4.175 3.976 0.199 1
1 247 . 13 1 1 A 29 29 ALA CB C 29 17.751 18.413 -0.662 1
1 251 . 13 1 1 A 29 29 ALA C C 29 181.065 179.816 1.249 1
1 252 . 13 1 1 A 30 30 ILE N N 30 118.797 117.945 0.852 1
1 253 . 13 1 1 A 30 30 ILE H H 30 7.480 7.827 -0.347 1
1 254 . 13 1 1 A 30 30 ILE CA C 30 64.334 64.825 -0.491 1
1 255 . 13 1 1 A 30 30 ILE HA H 30 3.698 3.748 -0.050 1
1 256 . 13 1 1 A 30 30 ILE CB C 30 38.471 37.731 0.740 1
1 269 . 13 1 1 A 30 30 ILE C C 30 178.562 178.537 0.025 1
1 270 . 13 1 1 A 31 31 HIS N N 31 118.999 120.152 -1.153 1
1 271 . 13 1 1 A 31 31 HIS H H 31 7.443 7.898 -0.455 1
1 272 . 13 1 1 A 31 31 HIS CA C 31 59.207 59.637 -0.430 1
1 273 . 13 1 1 A 31 31 HIS HA H 31 4.235 4.246 -0.011 1
1 274 . 13 1 1 A 31 31 HIS CB C 31 28.607 30.045 -1.438 1
1 281 . 13 1 1 A 31 31 HIS C C 31 178.221 177.542 0.679 1
1 282 . 13 1 1 A 32 32 GLN N N 32 120.561 117.831 2.730 1
1 283 . 13 1 1 A 32 32 GLN H H 32 9.107 8.474 0.633 1
1 284 . 13 1 1 A 32 32 GLN CA C 32 59.849 58.367 1.482 1
1 285 . 13 1 1 A 32 32 GLN HA H 32 3.717 3.835 -0.118 1
1 286 . 13 1 1 A 32 32 GLN CB C 32 28.269 28.304 -0.035 1
1 295 . 13 1 1 A 32 32 GLN C C 32 177.933 177.419 0.514 1
1 296 . 13 1 1 A 33 33 ALA N N 33 120.580 121.132 -0.552 1
1 297 . 13 1 1 A 33 33 ALA H H 33 7.225 7.284 -0.059 1
1 298 . 13 1 1 A 33 33 ALA CA C 33 54.275 53.204 1.071 1
1 299 . 13 1 1 A 33 33 ALA HA H 33 4.223 4.163 0.060 1
1 300 . 13 1 1 A 33 33 ALA CB C 33 18.072 17.898 0.174 1
1 304 . 13 1 1 A 33 33 ALA C C 33 179.277 177.837 1.440 1
1 305 . 13 1 1 A 34 34 THR N N 34 108.871 107.524 1.347 1
1 306 . 13 1 1 A 34 34 THR H H 34 7.690 7.677 0.013 1
1 307 . 13 1 1 A 34 34 THR CA C 34 63.808 62.385 1.423 1
1 308 . 13 1 1 A 34 34 THR HA H 34 4.152 4.420 -0.268 1
1 309 . 13 1 1 A 34 34 THR CB C 34 69.413 70.034 -0.621 1
1 315 . 13 1 1 A 34 34 THR C C 34 175.831 175.245 0.586 1
1 316 . 13 1 1 A 35 35 HIS N N 35 118.845 120.273 -1.428 1
1 317 . 13 1 1 A 35 35 HIS H H 35 7.183 7.615 -0.432 1
1 318 . 13 1 1 A 35 35 HIS CA C 35 55.596 55.175 0.421 1
1 319 . 13 1 1 A 35 35 HIS HA H 35 4.800 4.671 0.129 1
1 320 . 13 1 1 A 35 35 HIS CB C 35 28.675 28.131 0.544 1
1 327 . 13 1 1 A 35 35 HIS C C 35 175.495 174.023 1.472 1
1 328 . 13 1 1 A 36 36 SER N N 36 115.119 114.447 0.672 1
1 329 . 13 1 1 A 36 36 SER H H 36 7.871 7.792 0.079 1
1 330 . 13 1 1 A 36 36 SER CA C 36 58.965 56.679 2.286 1
1 331 . 13 1 1 A 36 36 SER HA H 36 4.444 4.575 -0.131 1
1 332 . 13 1 1 A 36 36 SER CB C 36 63.882 65.147 -1.265 1
1 335 . 13 1 1 A 36 36 SER C C 36 175.070 172.795 2.275 1
1 336 . 13 1 1 A 37 37 GLY N N 37 110.906 109.232 1.674 1
1 337 . 13 1 1 A 37 37 GLY H H 37 8.364 8.448 -0.084 1
1 338 . 13 1 1 A 37 37 GLY CA C 37 45.222 45.815 -0.593 1
1 339 . 13 1 1 A 37 37 GLY HA2 H 37 3.977 4.203 -0.226 1
1 340 . 13 1 1 A 37 37 GLY HA3 H 37 3.901 4.207 -0.306 1
1 341 . 13 1 1 A 37 37 GLY C C 37 174.068 174.513 -0.445 1
1 342 . 13 1 1 A 38 38 GLU N N 38 120.200 120.341 -0.141 1
1 343 . 13 1 1 A 38 38 GLU H H 38 8.198 8.675 -0.477 1
1 344 . 13 1 1 A 38 38 GLU CA C 38 56.989 58.922 -1.933 1
1 345 . 13 1 1 A 38 38 GLU HA H 38 4.140 4.027 0.113 1
1 346 . 13 1 1 A 38 38 GLU CB C 38 30.446 29.419 1.027 1
1 352 . 13 1 1 A 38 38 GLU C C 38 176.270 176.845 -0.575 1
1 353 . 13 1 1 A 39 39 LYS N N 39 120.907 116.355 4.552 1
1 354 . 13 1 1 A 39 39 LYS H H 39 8.233 7.756 0.477 1
1 355 . 13 1 1 A 39 39 LYS CA C 39 53.740 53.466 0.274 1
1 356 . 13 1 1 A 39 39 LYS HA H 39 4.464 4.603 -0.139 1
1 357 . 13 1 1 A 39 39 LYS CB C 39 33.224 32.493 0.731 1
1 369 . 13 1 1 A 39 39 LYS C C 39 173.830 176.206 -2.376 1
1 370 . 13 1 1 A 40 40 PRO CA C 40 63.189 65.641 -2.452 1
1 371 . 13 1 1 A 40 40 PRO HA H 40 4.462 4.335 0.127 1
1 372 . 13 1 1 A 40 40 PRO CB C 40 32.177 31.338 0.839 1
1 381 . 13 1 1 A 41 41 SER N N 41 116.632 112.985 3.647 1
1 382 . 13 1 1 A 41 41 SER H H 41 8.507 8.151 0.356 1
1 383 . 13 1 1 A 41 41 SER CA C 41 58.580 59.417 -0.837 1
1 384 . 13 1 1 A 41 41 SER HA H 41 4.502 4.100 0.402 1
1 385 . 13 1 1 A 41 41 SER CB C 41 63.908 62.258 1.650 1
1 388 . 13 1 1 A 42 42 GLY N N 42 110.670 106.594 4.076 1
1 389 . 13 1 1 A 42 42 GLY H H 42 8.222 8.155 0.067 1
1 390 . 13 1 1 A 42 42 GLY CA C 42 44.675 45.601 -0.926 1
1 391 . 13 1 1 A 42 42 GLY HA2 H 42 4.151 4.097 0.054 1
1 392 . 13 1 1 A 42 42 GLY HA3 H 42 4.079 4.098 -0.019 1
1 393 . 13 1 1 A 43 43 PRO CA C 43 63.074 64.806 -1.732 1
1 394 . 13 1 1 A 43 43 PRO HA H 43 4.462 4.433 0.029 1
1 395 . 13 1 1 A 43 43 PRO CB C 43 32.165 32.081 0.084 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.936 65.567 -3.631 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.334 4.007 0.327 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.790 69.248 0.542 1
1 9 . 14 1 1 A 9 9 GLY CA C 9 45.303 45.034 0.269 1
1 10 . 14 1 1 A 9 9 GLY HA2 H 9 3.975 4.013 -0.038 1
1 11 . 14 1 1 A 9 9 GLY HA3 H 9 3.975 4.014 -0.039 1
1 12 . 14 1 1 A 9 9 GLY C C 9 174.030 173.106 0.924 1
1 13 . 14 1 1 A 10 10 GLU N N 10 120.522 125.140 -4.618 1
1 14 . 14 1 1 A 10 10 GLU H H 10 8.138 8.446 -0.308 1
1 15 . 14 1 1 A 10 10 GLU CA C 10 56.348 55.653 0.695 1
1 16 . 14 1 1 A 10 10 GLU HA H 10 4.254 5.026 -0.772 1
1 17 . 14 1 1 A 10 10 GLU CB C 10 30.590 32.791 -2.201 1
1 23 . 14 1 1 A 10 10 GLU C C 10 176.309 174.788 1.521 1
1 24 . 14 1 1 A 11 11 LYS N N 11 123.786 126.077 -2.291 1
1 25 . 14 1 1 A 11 11 LYS H H 11 8.422 8.528 -0.106 1
1 26 . 14 1 1 A 11 11 LYS CA C 11 54.092 53.309 0.783 1
1 27 . 14 1 1 A 11 11 LYS HA H 11 4.614 4.737 -0.123 1
1 28 . 14 1 1 A 11 11 LYS CB C 11 32.512 33.383 -0.871 1
1 40 . 14 1 1 A 11 11 LYS C C 11 174.485 176.385 -1.900 1
1 41 . 14 1 1 A 12 12 PRO CA C 12 63.537 64.894 -1.357 1
1 42 . 14 1 1 A 12 12 PRO HA H 12 4.222 4.283 -0.061 1
1 43 . 14 1 1 A 12 12 PRO CB C 12 32.294 31.669 0.625 1
1 52 . 14 1 1 A 12 12 PRO C C 12 176.522 175.859 0.663 1
1 53 . 14 1 1 A 13 13 TYR N N 13 118.425 118.296 0.129 1
1 54 . 14 1 1 A 13 13 TYR H H 13 7.747 7.686 0.061 1
1 55 . 14 1 1 A 13 13 TYR CA C 13 57.492 57.312 0.180 1
1 56 . 14 1 1 A 13 13 TYR HA H 13 4.643 5.251 -0.608 1
1 57 . 14 1 1 A 13 13 TYR CB C 13 38.298 41.500 -3.202 1
1 68 . 14 1 1 A 13 13 TYR C C 13 174.436 174.615 -0.179 1
1 69 . 14 1 1 A 14 14 LYS N N 14 125.064 122.187 2.877 1
1 70 . 14 1 1 A 14 14 LYS H H 14 8.580 8.776 -0.196 1
1 71 . 14 1 1 A 14 14 LYS CA C 14 55.150 55.427 -0.277 1
1 72 . 14 1 1 A 14 14 LYS HA H 14 4.934 4.849 0.085 1
1 73 . 14 1 1 A 14 14 LYS CB C 14 35.364 36.300 -0.936 1
1 85 . 14 1 1 A 14 14 LYS C C 14 175.164 174.547 0.617 1
1 86 . 14 1 1 A 15 15 CYS N N 15 126.356 124.941 1.415 1
1 87 . 14 1 1 A 15 15 CYS H H 15 9.216 9.068 0.148 1
1 88 . 14 1 1 A 15 15 CYS CA C 15 59.505 58.936 0.569 1
1 89 . 14 1 1 A 15 15 CYS HA H 15 4.499 4.662 -0.163 1
1 90 . 14 1 1 A 15 15 CYS CB C 15 29.802 28.234 1.568 1
1 93 . 14 1 1 A 15 15 CYS C C 15 177.060 176.438 0.622 1
1 94 . 14 1 1 A 16 16 ASN N N 16 130.128 125.370 4.758 1
1 95 . 14 1 1 A 16 16 ASN H H 16 9.375 9.086 0.289 1
1 96 . 14 1 1 A 16 16 ASN CA C 16 55.567 54.260 1.307 1
1 97 . 14 1 1 A 16 16 ASN HA H 16 4.526 4.668 -0.142 1
1 98 . 14 1 1 A 16 16 ASN CB C 16 38.377 37.118 1.259 1
1 104 . 14 1 1 A 16 16 ASN C C 16 175.395 176.257 -0.862 1
1 105 . 14 1 1 A 17 17 GLU N N 17 121.112 117.934 3.178 1
1 106 . 14 1 1 A 17 17 GLU H H 17 8.801 7.905 0.896 1
1 107 . 14 1 1 A 17 17 GLU CA C 17 58.384 58.733 -0.349 1
1 108 . 14 1 1 A 17 17 GLU HA H 17 4.227 4.174 0.053 1
1 109 . 14 1 1 A 17 17 GLU CB C 17 29.679 30.148 -0.469 1
1 115 . 14 1 1 A 17 17 GLU C C 17 177.104 178.222 -1.118 1
1 116 . 14 1 1 A 18 18 CYS N N 18 114.836 115.188 -0.352 1
1 117 . 14 1 1 A 18 18 CYS H H 18 7.953 8.083 -0.130 1
1 118 . 14 1 1 A 18 18 CYS CA C 18 58.341 59.761 -1.420 1
1 119 . 14 1 1 A 18 18 CYS HA H 18 5.156 4.708 0.448 1
1 120 . 14 1 1 A 18 18 CYS CB C 18 32.523 29.841 2.682 1
1 123 . 14 1 1 A 18 18 CYS C C 18 176.223 175.328 0.895 1
1 124 . 14 1 1 A 19 19 GLY N N 19 113.235 110.109 3.126 1
1 125 . 14 1 1 A 19 19 GLY H H 19 8.138 8.078 0.060 1
1 126 . 14 1 1 A 19 19 GLY CA C 19 46.304 45.069 1.235 1
1 127 . 14 1 1 A 19 19 GLY HA2 H 19 3.785 4.071 -0.286 1
1 128 . 14 1 1 A 19 19 GLY HA3 H 19 4.241 4.079 0.162 1
1 129 . 14 1 1 A 19 19 GLY C C 19 173.712 174.138 -0.426 1
1 130 . 14 1 1 A 20 20 LYS N N 20 123.349 121.842 1.507 1
1 131 . 14 1 1 A 20 20 LYS H H 20 8.040 7.449 0.591 1
1 132 . 14 1 1 A 20 20 LYS CA C 20 58.424 55.018 3.406 1
1 133 . 14 1 1 A 20 20 LYS HA H 20 3.919 4.481 -0.562 1
1 134 . 14 1 1 A 20 20 LYS CB C 20 33.699 33.605 0.094 1
1 146 . 14 1 1 A 20 20 LYS C C 20 173.678 175.365 -1.687 1
1 147 . 14 1 1 A 21 21 ALA N N 21 124.050 130.142 -6.092 1
1 148 . 14 1 1 A 21 21 ALA H H 21 7.783 8.828 -1.045 1
1 149 . 14 1 1 A 21 21 ALA CA C 21 50.427 50.112 0.315 1
1 150 . 14 1 1 A 21 21 ALA HA H 21 5.135 5.572 -0.437 1
1 151 . 14 1 1 A 21 21 ALA CB C 21 22.453 21.491 0.962 1
1 155 . 14 1 1 A 21 21 ALA C C 21 176.113 176.456 -0.343 1
1 156 . 14 1 1 A 22 22 PHE N N 22 116.580 119.050 -2.470 1
1 157 . 14 1 1 A 22 22 PHE H H 22 8.754 9.011 -0.257 1
1 158 . 14 1 1 A 22 22 PHE CA C 22 57.200 57.114 0.086 1
1 159 . 14 1 1 A 22 22 PHE HA H 22 4.695 5.056 -0.361 1
1 160 . 14 1 1 A 22 22 PHE CB C 22 44.007 42.985 1.022 1
1 173 . 14 1 1 A 22 22 PHE C C 22 175.166 176.350 -1.184 1
1 174 . 14 1 1 A 23 23 ARG N N 23 120.122 121.904 -1.782 1
1 175 . 14 1 1 A 23 23 ARG H H 23 9.062 9.111 -0.049 1
1 176 . 14 1 1 A 23 23 ARG CA C 23 57.935 57.011 0.924 1
1 177 . 14 1 1 A 23 23 ARG HA H 23 4.503 4.497 0.006 1
1 178 . 14 1 1 A 23 23 ARG CB C 23 31.133 32.167 -1.034 1
1 187 . 14 1 1 A 23 23 ARG C C 23 175.314 175.875 -0.561 1
1 188 . 14 1 1 A 24 24 ALA N N 24 118.433 118.749 -0.316 1
1 189 . 14 1 1 A 24 24 ALA H H 24 7.636 7.852 -0.216 1
1 190 . 14 1 1 A 24 24 ALA CA C 24 50.400 50.797 -0.397 1
1 191 . 14 1 1 A 24 24 ALA HA H 24 4.860 4.876 -0.016 1
1 192 . 14 1 1 A 24 24 ALA CB C 24 21.958 21.529 0.429 1
1 196 . 14 1 1 A 24 24 ALA C C 24 176.866 177.823 -0.957 1
1 197 . 14 1 1 A 25 25 ARG N N 25 124.787 121.337 3.450 1
1 198 . 14 1 1 A 25 25 ARG H H 25 8.490 8.998 -0.508 1
1 199 . 14 1 1 A 25 25 ARG CA C 25 59.298 59.485 -0.187 1
1 200 . 14 1 1 A 25 25 ARG HA H 25 3.125 2.763 0.362 1
1 201 . 14 1 1 A 25 25 ARG CB C 25 29.270 30.055 -0.785 1
1 210 . 14 1 1 A 25 25 ARG C C 25 178.954 177.477 1.477 1
1 211 . 14 1 1 A 26 26 SER CA C 26 60.587 61.317 -0.730 1
1 212 . 14 1 1 A 26 26 SER HA H 26 4.057 4.015 0.042 1
1 213 . 14 1 1 A 26 26 SER CB C 26 61.336 62.965 -1.629 1
1 216 . 14 1 1 A 26 26 SER C C 26 177.007 177.075 -0.068 1
1 217 . 14 1 1 A 27 27 SER N N 27 117.278 116.807 0.471 1
1 218 . 14 1 1 A 27 27 SER H H 27 6.825 7.900 -1.075 1
1 219 . 14 1 1 A 27 27 SER CA C 27 60.701 62.012 -1.311 1
1 220 . 14 1 1 A 27 27 SER HA H 27 4.167 4.176 -0.009 1
1 221 . 14 1 1 A 27 27 SER CB C 27 62.349 62.997 -0.648 1
1 224 . 14 1 1 A 27 27 SER C C 27 176.462 175.650 0.812 1
1 225 . 14 1 1 A 28 28 LEU N N 28 123.661 121.426 2.235 1
1 226 . 14 1 1 A 28 28 LEU H H 28 7.171 7.772 -0.601 1
1 227 . 14 1 1 A 28 28 LEU CA C 28 57.758 56.682 1.076 1
1 228 . 14 1 1 A 28 28 LEU HA H 28 3.179 2.444 0.735 1
1 229 . 14 1 1 A 28 28 LEU CB C 28 40.196 41.786 -1.590 1
1 242 . 14 1 1 A 28 28 LEU C C 28 177.102 178.052 -0.950 1
1 243 . 14 1 1 A 29 29 ALA N N 29 121.695 120.765 0.930 1
1 244 . 14 1 1 A 29 29 ALA H H 29 7.996 7.898 0.098 1
1 245 . 14 1 1 A 29 29 ALA CA C 29 55.373 55.321 0.052 1
1 246 . 14 1 1 A 29 29 ALA HA H 29 4.175 3.992 0.183 1
1 247 . 14 1 1 A 29 29 ALA CB C 29 17.751 18.297 -0.546 1
1 251 . 14 1 1 A 29 29 ALA C C 29 181.065 179.881 1.184 1
1 252 . 14 1 1 A 30 30 ILE N N 30 118.797 117.655 1.142 1
1 253 . 14 1 1 A 30 30 ILE H H 30 7.480 7.859 -0.379 1
1 254 . 14 1 1 A 30 30 ILE CA C 30 64.334 65.022 -0.688 1
1 255 . 14 1 1 A 30 30 ILE HA H 30 3.698 3.752 -0.054 1
1 256 . 14 1 1 A 30 30 ILE CB C 30 38.471 37.788 0.683 1
1 269 . 14 1 1 A 30 30 ILE C C 30 178.562 178.501 0.061 1
1 270 . 14 1 1 A 31 31 HIS N N 31 118.999 120.179 -1.180 1
1 271 . 14 1 1 A 31 31 HIS H H 31 7.443 8.077 -0.634 1
1 272 . 14 1 1 A 31 31 HIS CA C 31 59.207 59.895 -0.688 1
1 273 . 14 1 1 A 31 31 HIS HA H 31 4.235 4.197 0.038 1
1 274 . 14 1 1 A 31 31 HIS CB C 31 28.607 30.221 -1.614 1
1 281 . 14 1 1 A 31 31 HIS C C 31 178.221 177.689 0.532 1
1 282 . 14 1 1 A 32 32 GLN N N 32 120.561 117.890 2.671 1
1 283 . 14 1 1 A 32 32 GLN H H 32 9.107 8.386 0.721 1
1 284 . 14 1 1 A 32 32 GLN CA C 32 59.849 58.281 1.568 1
1 285 . 14 1 1 A 32 32 GLN HA H 32 3.717 3.906 -0.189 1
1 286 . 14 1 1 A 32 32 GLN CB C 32 28.269 28.372 -0.103 1
1 295 . 14 1 1 A 32 32 GLN C C 32 177.933 177.440 0.493 1
1 296 . 14 1 1 A 33 33 ALA N N 33 120.580 121.292 -0.712 1
1 297 . 14 1 1 A 33 33 ALA H H 33 7.225 7.269 -0.044 1
1 298 . 14 1 1 A 33 33 ALA CA C 33 54.275 53.355 0.920 1
1 299 . 14 1 1 A 33 33 ALA HA H 33 4.223 4.170 0.053 1
1 300 . 14 1 1 A 33 33 ALA CB C 33 18.072 18.111 -0.039 1
1 304 . 14 1 1 A 33 33 ALA C C 33 179.277 177.886 1.391 1
1 305 . 14 1 1 A 34 34 THR N N 34 108.871 107.620 1.251 1
1 306 . 14 1 1 A 34 34 THR H H 34 7.690 7.610 0.080 1
1 307 . 14 1 1 A 34 34 THR CA C 34 63.808 62.377 1.431 1
1 308 . 14 1 1 A 34 34 THR HA H 34 4.152 4.434 -0.282 1
1 309 . 14 1 1 A 34 34 THR CB C 34 69.413 69.941 -0.528 1
1 315 . 14 1 1 A 34 34 THR C C 34 175.831 174.749 1.082 1
1 316 . 14 1 1 A 35 35 HIS N N 35 118.845 122.438 -3.593 1
1 317 . 14 1 1 A 35 35 HIS H H 35 7.183 7.579 -0.396 1
1 318 . 14 1 1 A 35 35 HIS CA C 35 55.596 55.203 0.393 1
1 319 . 14 1 1 A 35 35 HIS HA H 35 4.800 4.592 0.208 1
1 320 . 14 1 1 A 35 35 HIS CB C 35 28.675 28.573 0.102 1
1 327 . 14 1 1 A 35 35 HIS C C 35 175.495 174.227 1.268 1
1 328 . 14 1 1 A 36 36 SER N N 36 115.119 123.272 -8.153 1
1 329 . 14 1 1 A 36 36 SER H H 36 7.871 8.627 -0.756 1
1 330 . 14 1 1 A 36 36 SER CA C 36 58.965 57.824 1.141 1
1 331 . 14 1 1 A 36 36 SER HA H 36 4.444 4.755 -0.311 1
1 332 . 14 1 1 A 36 36 SER CB C 36 63.882 62.992 0.890 1
1 335 . 14 1 1 A 36 36 SER C C 36 175.070 173.440 1.630 1
1 336 . 14 1 1 A 37 37 GLY N N 37 110.906 112.663 -1.757 1
1 337 . 14 1 1 A 37 37 GLY H H 37 8.364 8.845 -0.481 1
1 338 . 14 1 1 A 37 37 GLY CA C 37 45.222 47.258 -2.036 1
1 339 . 14 1 1 A 37 37 GLY HA2 H 37 3.977 3.963 0.014 1
1 340 . 14 1 1 A 37 37 GLY HA3 H 37 3.901 3.964 -0.063 1
1 341 . 14 1 1 A 37 37 GLY C C 37 174.068 175.071 -1.003 1
1 342 . 14 1 1 A 38 38 GLU N N 38 120.200 121.002 -0.802 1
1 343 . 14 1 1 A 38 38 GLU H H 38 8.198 8.017 0.181 1
1 344 . 14 1 1 A 38 38 GLU CA C 38 56.989 57.679 -0.690 1
1 345 . 14 1 1 A 38 38 GLU HA H 38 4.140 4.358 -0.218 1
1 346 . 14 1 1 A 38 38 GLU CB C 38 30.446 30.775 -0.329 1
1 352 . 14 1 1 A 38 38 GLU C C 38 176.270 176.685 -0.415 1
1 353 . 14 1 1 A 39 39 LYS N N 39 120.907 114.637 6.270 1
1 354 . 14 1 1 A 39 39 LYS H H 39 8.233 7.909 0.324 1
1 355 . 14 1 1 A 39 39 LYS CA C 39 53.740 53.892 -0.152 1
1 356 . 14 1 1 A 39 39 LYS HA H 39 4.464 4.596 -0.132 1
1 357 . 14 1 1 A 39 39 LYS CB C 39 33.224 32.634 0.590 1
1 369 . 14 1 1 A 39 39 LYS C C 39 173.830 175.816 -1.986 1
1 370 . 14 1 1 A 40 40 PRO CA C 40 63.189 62.317 0.872 1
1 371 . 14 1 1 A 40 40 PRO HA H 40 4.462 4.597 -0.135 1
1 372 . 14 1 1 A 40 40 PRO CB C 40 32.177 29.863 2.314 1
1 381 . 14 1 1 A 41 41 SER N N 41 116.632 117.273 -0.641 1
1 382 . 14 1 1 A 41 41 SER H H 41 8.507 8.492 0.015 1
1 383 . 14 1 1 A 41 41 SER CA C 41 58.580 59.473 -0.893 1
1 384 . 14 1 1 A 41 41 SER HA H 41 4.502 4.678 -0.176 1
1 385 . 14 1 1 A 41 41 SER CB C 41 63.908 65.657 -1.749 1
1 388 . 14 1 1 A 42 42 GLY N N 42 110.670 104.896 5.774 1
1 389 . 14 1 1 A 42 42 GLY H H 42 8.222 7.580 0.642 1
1 390 . 14 1 1 A 42 42 GLY CA C 42 44.675 45.583 -0.908 1
1 391 . 14 1 1 A 42 42 GLY HA2 H 42 4.151 4.349 -0.198 1
1 392 . 14 1 1 A 42 42 GLY HA3 H 42 4.079 4.351 -0.272 1
1 393 . 14 1 1 A 43 43 PRO CA C 43 63.074 62.892 0.182 1
1 394 . 14 1 1 A 43 43 PRO HA H 43 4.462 4.647 -0.185 1
1 395 . 14 1 1 A 43 43 PRO CB C 43 32.165 32.304 -0.139 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.936 63.153 -1.217 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.334 4.382 -0.048 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.790 69.641 0.149 1
1 9 . 15 1 1 A 9 9 GLY CA C 9 45.303 44.718 0.585 1
1 10 . 15 1 1 A 9 9 GLY HA2 H 9 3.975 4.166 -0.191 1
1 11 . 15 1 1 A 9 9 GLY HA3 H 9 3.975 4.168 -0.193 1
1 12 . 15 1 1 A 9 9 GLY C C 9 174.030 173.038 0.992 1
1 13 . 15 1 1 A 10 10 GLU N N 10 120.522 123.216 -2.694 1
1 14 . 15 1 1 A 10 10 GLU H H 10 8.138 8.878 -0.740 1
1 15 . 15 1 1 A 10 10 GLU CA C 10 56.348 54.694 1.654 1
1 16 . 15 1 1 A 10 10 GLU HA H 10 4.254 4.995 -0.741 1
1 17 . 15 1 1 A 10 10 GLU CB C 10 30.590 33.135 -2.545 1
1 23 . 15 1 1 A 10 10 GLU C C 10 176.309 175.114 1.195 1
1 24 . 15 1 1 A 11 11 LYS N N 11 123.786 124.178 -0.392 1
1 25 . 15 1 1 A 11 11 LYS H H 11 8.422 8.561 -0.139 1
1 26 . 15 1 1 A 11 11 LYS CA C 11 54.092 52.854 1.238 1
1 27 . 15 1 1 A 11 11 LYS HA H 11 4.614 4.798 -0.184 1
1 28 . 15 1 1 A 11 11 LYS CB C 11 32.512 33.960 -1.448 1
1 40 . 15 1 1 A 11 11 LYS C C 11 174.485 176.274 -1.789 1
1 41 . 15 1 1 A 12 12 PRO CA C 12 63.537 64.844 -1.307 1
1 42 . 15 1 1 A 12 12 PRO HA H 12 4.222 4.337 -0.115 1
1 43 . 15 1 1 A 12 12 PRO CB C 12 32.294 31.875 0.419 1
1 52 . 15 1 1 A 12 12 PRO C C 12 176.522 175.980 0.542 1
1 53 . 15 1 1 A 13 13 TYR N N 13 118.425 117.817 0.608 1
1 54 . 15 1 1 A 13 13 TYR H H 13 7.747 7.242 0.505 1
1 55 . 15 1 1 A 13 13 TYR CA C 13 57.492 56.815 0.677 1
1 56 . 15 1 1 A 13 13 TYR HA H 13 4.643 5.364 -0.721 1
1 57 . 15 1 1 A 13 13 TYR CB C 13 38.298 41.469 -3.171 1
1 68 . 15 1 1 A 13 13 TYR C C 13 174.436 174.512 -0.076 1
1 69 . 15 1 1 A 14 14 LYS N N 14 125.064 123.398 1.666 1
1 70 . 15 1 1 A 14 14 LYS H H 14 8.580 8.996 -0.416 1
1 71 . 15 1 1 A 14 14 LYS CA C 14 55.150 55.084 0.066 1
1 72 . 15 1 1 A 14 14 LYS HA H 14 4.934 5.257 -0.323 1
1 73 . 15 1 1 A 14 14 LYS CB C 14 35.364 36.312 -0.948 1
1 85 . 15 1 1 A 14 14 LYS C C 14 175.164 174.685 0.479 1
1 86 . 15 1 1 A 15 15 CYS N N 15 126.356 124.808 1.548 1
1 87 . 15 1 1 A 15 15 CYS H H 15 9.216 9.381 -0.165 1
1 88 . 15 1 1 A 15 15 CYS CA C 15 59.505 58.490 1.015 1
1 89 . 15 1 1 A 15 15 CYS HA H 15 4.499 4.753 -0.254 1
1 90 . 15 1 1 A 15 15 CYS CB C 15 29.802 28.945 0.857 1
1 93 . 15 1 1 A 15 15 CYS C C 15 177.060 176.378 0.682 1
1 94 . 15 1 1 A 16 16 ASN N N 16 130.128 122.346 7.782 1
1 95 . 15 1 1 A 16 16 ASN H H 16 9.375 8.860 0.515 1
1 96 . 15 1 1 A 16 16 ASN CA C 16 55.567 53.098 2.469 1
1 97 . 15 1 1 A 16 16 ASN HA H 16 4.526 4.818 -0.292 1
1 98 . 15 1 1 A 16 16 ASN CB C 16 38.377 37.885 0.492 1
1 104 . 15 1 1 A 16 16 ASN C C 16 175.395 174.717 0.678 1
1 105 . 15 1 1 A 17 17 GLU N N 17 121.112 117.498 3.614 1
1 106 . 15 1 1 A 17 17 GLU H H 17 8.801 7.615 1.186 1
1 107 . 15 1 1 A 17 17 GLU CA C 17 58.384 57.470 0.914 1
1 108 . 15 1 1 A 17 17 GLU HA H 17 4.227 4.409 -0.182 1
1 109 . 15 1 1 A 17 17 GLU CB C 17 29.679 30.780 -1.101 1
1 115 . 15 1 1 A 17 17 GLU C C 17 177.104 178.089 -0.985 1
1 116 . 15 1 1 A 18 18 CYS N N 18 114.836 115.091 -0.255 1
1 117 . 15 1 1 A 18 18 CYS H H 18 7.953 7.764 0.189 1
1 118 . 15 1 1 A 18 18 CYS CA C 18 58.341 59.682 -1.341 1
1 119 . 15 1 1 A 18 18 CYS HA H 18 5.156 4.766 0.390 1
1 120 . 15 1 1 A 18 18 CYS CB C 18 32.523 30.099 2.424 1
1 123 . 15 1 1 A 18 18 CYS C C 18 176.223 175.439 0.784 1
1 124 . 15 1 1 A 19 19 GLY N N 19 113.235 110.261 2.974 1
1 125 . 15 1 1 A 19 19 GLY H H 19 8.138 8.155 -0.017 1
1 126 . 15 1 1 A 19 19 GLY CA C 19 46.304 45.390 0.914 1
1 127 . 15 1 1 A 19 19 GLY HA2 H 19 3.785 4.060 -0.275 1
1 128 . 15 1 1 A 19 19 GLY HA3 H 19 4.241 4.075 0.166 1
1 129 . 15 1 1 A 19 19 GLY C C 19 173.712 174.287 -0.575 1
1 130 . 15 1 1 A 20 20 LYS N N 20 123.349 120.792 2.557 1
1 131 . 15 1 1 A 20 20 LYS H H 20 8.040 7.714 0.326 1
1 132 . 15 1 1 A 20 20 LYS CA C 20 58.424 54.979 3.445 1
1 133 . 15 1 1 A 20 20 LYS HA H 20 3.919 4.601 -0.682 1
1 134 . 15 1 1 A 20 20 LYS CB C 20 33.699 34.592 -0.893 1
1 146 . 15 1 1 A 20 20 LYS C C 20 173.678 174.879 -1.201 1
1 147 . 15 1 1 A 21 21 ALA N N 21 124.050 126.015 -1.965 1
1 148 . 15 1 1 A 21 21 ALA H H 21 7.783 8.408 -0.625 1
1 149 . 15 1 1 A 21 21 ALA CA C 21 50.427 50.568 -0.141 1
1 150 . 15 1 1 A 21 21 ALA HA H 21 5.135 5.237 -0.102 1
1 151 . 15 1 1 A 21 21 ALA CB C 21 22.453 22.136 0.317 1
1 155 . 15 1 1 A 21 21 ALA C C 21 176.113 175.346 0.767 1
1 156 . 15 1 1 A 22 22 PHE N N 22 116.580 119.563 -2.983 1
1 157 . 15 1 1 A 22 22 PHE H H 22 8.754 9.153 -0.399 1
1 158 . 15 1 1 A 22 22 PHE CA C 22 57.200 56.882 0.318 1
1 159 . 15 1 1 A 22 22 PHE HA H 22 4.695 4.937 -0.242 1
1 160 . 15 1 1 A 22 22 PHE CB C 22 44.007 43.226 0.781 1
1 173 . 15 1 1 A 22 22 PHE C C 22 175.166 175.981 -0.815 1
1 174 . 15 1 1 A 23 23 ARG N N 23 120.122 122.170 -2.048 1
1 175 . 15 1 1 A 23 23 ARG H H 23 9.062 9.013 0.049 1
1 176 . 15 1 1 A 23 23 ARG CA C 23 57.935 57.601 0.334 1
1 177 . 15 1 1 A 23 23 ARG HA H 23 4.503 4.467 0.036 1
1 178 . 15 1 1 A 23 23 ARG CB C 23 31.133 31.877 -0.744 1
1 187 . 15 1 1 A 23 23 ARG C C 23 175.314 176.269 -0.955 1
1 188 . 15 1 1 A 24 24 ALA N N 24 118.433 117.080 1.353 1
1 189 . 15 1 1 A 24 24 ALA H H 24 7.636 7.710 -0.074 1
1 190 . 15 1 1 A 24 24 ALA CA C 24 50.400 50.748 -0.348 1
1 191 . 15 1 1 A 24 24 ALA HA H 24 4.860 4.699 0.161 1
1 192 . 15 1 1 A 24 24 ALA CB C 24 21.958 21.137 0.821 1
1 196 . 15 1 1 A 24 24 ALA C C 24 176.866 177.001 -0.135 1
1 197 . 15 1 1 A 25 25 ARG N N 25 124.787 118.977 5.810 1
1 198 . 15 1 1 A 25 25 ARG H H 25 8.490 8.796 -0.306 1
1 199 . 15 1 1 A 25 25 ARG CA C 25 59.298 59.648 -0.350 1
1 200 . 15 1 1 A 25 25 ARG HA H 25 3.125 3.298 -0.173 1
1 201 . 15 1 1 A 25 25 ARG CB C 25 29.270 29.993 -0.723 1
1 210 . 15 1 1 A 25 25 ARG C C 25 178.954 178.236 0.718 1
1 211 . 15 1 1 A 26 26 SER CA C 26 60.587 61.505 -0.918 1
1 212 . 15 1 1 A 26 26 SER HA H 26 4.057 3.982 0.075 1
1 213 . 15 1 1 A 26 26 SER CB C 26 61.336 62.922 -1.586 1
1 216 . 15 1 1 A 26 26 SER C C 26 177.007 176.777 0.230 1
1 217 . 15 1 1 A 27 27 SER N N 27 117.278 116.781 0.497 1
1 218 . 15 1 1 A 27 27 SER H H 27 6.825 7.892 -1.067 1
1 219 . 15 1 1 A 27 27 SER CA C 27 60.701 61.989 -1.288 1
1 220 . 15 1 1 A 27 27 SER HA H 27 4.167 4.203 -0.036 1
1 221 . 15 1 1 A 27 27 SER CB C 27 62.349 63.230 -0.881 1
1 224 . 15 1 1 A 27 27 SER C C 27 176.462 176.127 0.335 1
1 225 . 15 1 1 A 28 28 LEU N N 28 123.661 122.075 1.586 1
1 226 . 15 1 1 A 28 28 LEU H H 28 7.171 8.087 -0.916 1
1 227 . 15 1 1 A 28 28 LEU CA C 28 57.758 56.774 0.984 1
1 228 . 15 1 1 A 28 28 LEU HA H 28 3.179 2.031 1.148 1
1 229 . 15 1 1 A 28 28 LEU CB C 28 40.196 41.214 -1.018 1
1 242 . 15 1 1 A 28 28 LEU C C 28 177.102 178.056 -0.954 1
1 243 . 15 1 1 A 29 29 ALA N N 29 121.695 121.016 0.679 1
1 244 . 15 1 1 A 29 29 ALA H H 29 7.996 8.368 -0.372 1
1 245 . 15 1 1 A 29 29 ALA CA C 29 55.373 55.369 0.004 1
1 246 . 15 1 1 A 29 29 ALA HA H 29 4.175 3.990 0.185 1
1 247 . 15 1 1 A 29 29 ALA CB C 29 17.751 18.302 -0.551 1
1 251 . 15 1 1 A 29 29 ALA C C 29 181.065 179.914 1.151 1
1 252 . 15 1 1 A 30 30 ILE N N 30 118.797 117.784 1.013 1
1 253 . 15 1 1 A 30 30 ILE H H 30 7.480 7.696 -0.216 1
1 254 . 15 1 1 A 30 30 ILE CA C 30 64.334 65.006 -0.672 1
1 255 . 15 1 1 A 30 30 ILE HA H 30 3.698 3.788 -0.090 1
1 256 . 15 1 1 A 30 30 ILE CB C 30 38.471 37.858 0.613 1
1 269 . 15 1 1 A 30 30 ILE C C 30 178.562 178.600 -0.038 1
1 270 . 15 1 1 A 31 31 HIS N N 31 118.999 120.250 -1.251 1
1 271 . 15 1 1 A 31 31 HIS H H 31 7.443 8.028 -0.585 1
1 272 . 15 1 1 A 31 31 HIS CA C 31 59.207 59.693 -0.486 1
1 273 . 15 1 1 A 31 31 HIS HA H 31 4.235 4.333 -0.098 1
1 274 . 15 1 1 A 31 31 HIS CB C 31 28.607 30.226 -1.619 1
1 281 . 15 1 1 A 31 31 HIS C C 31 178.221 177.586 0.635 1
1 282 . 15 1 1 A 32 32 GLN N N 32 120.561 117.953 2.608 1
1 283 . 15 1 1 A 32 32 GLN H H 32 9.107 8.521 0.586 1
1 284 . 15 1 1 A 32 32 GLN CA C 32 59.849 58.393 1.456 1
1 285 . 15 1 1 A 32 32 GLN HA H 32 3.717 3.768 -0.051 1
1 286 . 15 1 1 A 32 32 GLN CB C 32 28.269 28.283 -0.014 1
1 295 . 15 1 1 A 32 32 GLN C C 32 177.933 177.050 0.883 1
1 296 . 15 1 1 A 33 33 ALA N N 33 120.580 121.432 -0.852 1
1 297 . 15 1 1 A 33 33 ALA H H 33 7.225 7.438 -0.213 1
1 298 . 15 1 1 A 33 33 ALA CA C 33 54.275 53.204 1.071 1
1 299 . 15 1 1 A 33 33 ALA HA H 33 4.223 4.184 0.039 1
1 300 . 15 1 1 A 33 33 ALA CB C 33 18.072 17.947 0.125 1
1 304 . 15 1 1 A 33 33 ALA C C 33 179.277 178.048 1.229 1
1 305 . 15 1 1 A 34 34 THR N N 34 108.871 107.710 1.161 1
1 306 . 15 1 1 A 34 34 THR H H 34 7.690 7.763 -0.073 1
1 307 . 15 1 1 A 34 34 THR CA C 34 63.808 62.559 1.249 1
1 308 . 15 1 1 A 34 34 THR HA H 34 4.152 4.459 -0.307 1
1 309 . 15 1 1 A 34 34 THR CB C 34 69.413 69.932 -0.519 1
1 315 . 15 1 1 A 34 34 THR C C 34 175.831 174.754 1.077 1
1 316 . 15 1 1 A 35 35 HIS N N 35 118.845 121.402 -2.557 1
1 317 . 15 1 1 A 35 35 HIS H H 35 7.183 7.566 -0.383 1
1 318 . 15 1 1 A 35 35 HIS CA C 35 55.596 54.712 0.884 1
1 319 . 15 1 1 A 35 35 HIS HA H 35 4.800 4.620 0.180 1
1 320 . 15 1 1 A 35 35 HIS CB C 35 28.675 27.712 0.963 1
1 327 . 15 1 1 A 35 35 HIS C C 35 175.495 174.250 1.245 1
1 328 . 15 1 1 A 36 36 SER N N 36 115.119 120.750 -5.631 1
1 329 . 15 1 1 A 36 36 SER H H 36 7.871 9.005 -1.134 1
1 330 . 15 1 1 A 36 36 SER CA C 36 58.965 58.890 0.075 1
1 331 . 15 1 1 A 36 36 SER HA H 36 4.444 4.304 0.140 1
1 332 . 15 1 1 A 36 36 SER CB C 36 63.882 62.323 1.559 1
1 335 . 15 1 1 A 36 36 SER C C 36 175.070 175.086 -0.016 1
1 336 . 15 1 1 A 37 37 GLY N N 37 110.906 113.478 -2.572 1
1 337 . 15 1 1 A 37 37 GLY H H 37 8.364 8.325 0.039 1
1 338 . 15 1 1 A 37 37 GLY CA C 37 45.222 47.457 -2.235 1
1 339 . 15 1 1 A 37 37 GLY HA2 H 37 3.977 3.838 0.139 1
1 340 . 15 1 1 A 37 37 GLY HA3 H 37 3.901 3.850 0.051 1
1 341 . 15 1 1 A 37 37 GLY C C 37 174.068 175.257 -1.189 1
1 342 . 15 1 1 A 38 38 GLU N N 38 120.200 119.794 0.406 1
1 343 . 15 1 1 A 38 38 GLU H H 38 8.198 7.818 0.380 1
1 344 . 15 1 1 A 38 38 GLU CA C 38 56.989 56.833 0.156 1
1 345 . 15 1 1 A 38 38 GLU HA H 38 4.140 4.279 -0.139 1
1 346 . 15 1 1 A 38 38 GLU CB C 38 30.446 29.942 0.504 1
1 352 . 15 1 1 A 38 38 GLU C C 38 176.270 176.300 -0.030 1
1 353 . 15 1 1 A 39 39 LYS N N 39 120.907 122.428 -1.521 1
1 354 . 15 1 1 A 39 39 LYS H H 39 8.233 8.749 -0.516 1
1 355 . 15 1 1 A 39 39 LYS CA C 39 53.740 53.762 -0.022 1
1 356 . 15 1 1 A 39 39 LYS HA H 39 4.464 4.750 -0.286 1
1 357 . 15 1 1 A 39 39 LYS CB C 39 33.224 32.548 0.676 1
1 369 . 15 1 1 A 39 39 LYS C C 39 173.830 175.561 -1.731 1
1 370 . 15 1 1 A 40 40 PRO CA C 40 63.189 62.326 0.863 1
1 371 . 15 1 1 A 40 40 PRO HA H 40 4.462 4.606 -0.144 1
1 372 . 15 1 1 A 40 40 PRO CB C 40 32.177 32.776 -0.599 1
1 381 . 15 1 1 A 41 41 SER N N 41 116.632 116.952 -0.320 1
1 382 . 15 1 1 A 41 41 SER H H 41 8.507 8.405 0.102 1
1 383 . 15 1 1 A 41 41 SER CA C 41 58.580 59.168 -0.588 1
1 384 . 15 1 1 A 41 41 SER HA H 41 4.502 4.612 -0.110 1
1 385 . 15 1 1 A 41 41 SER CB C 41 63.908 63.620 0.288 1
1 388 . 15 1 1 A 42 42 GLY N N 42 110.670 113.376 -2.706 1
1 389 . 15 1 1 A 42 42 GLY H H 42 8.222 8.561 -0.339 1
1 390 . 15 1 1 A 42 42 GLY CA C 42 44.675 45.387 -0.712 1
1 391 . 15 1 1 A 42 42 GLY HA2 H 42 4.151 4.200 -0.049 1
1 392 . 15 1 1 A 42 42 GLY HA3 H 42 4.079 4.200 -0.121 1
1 393 . 15 1 1 A 43 43 PRO CA C 43 63.074 62.732 0.342 1
1 394 . 15 1 1 A 43 43 PRO HA H 43 4.462 4.598 -0.136 1
1 395 . 15 1 1 A 43 43 PRO CB C 43 32.165 32.532 -0.367 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.936 60.150 1.786 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.334 4.984 -0.650 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.790 70.396 -0.606 1
1 9 . 16 1 1 A 9 9 GLY CA C 9 45.303 46.698 -1.395 1
1 10 . 16 1 1 A 9 9 GLY HA2 H 9 3.975 3.898 0.077 1
1 11 . 16 1 1 A 9 9 GLY HA3 H 9 3.975 3.898 0.077 1
1 12 . 16 1 1 A 9 9 GLY C C 9 174.030 173.119 0.911 1
1 13 . 16 1 1 A 10 10 GLU N N 10 120.522 118.411 2.111 1
1 14 . 16 1 1 A 10 10 GLU H H 10 8.138 7.751 0.387 1
1 15 . 16 1 1 A 10 10 GLU CA C 10 56.348 55.046 1.302 1
1 16 . 16 1 1 A 10 10 GLU HA H 10 4.254 4.835 -0.581 1
1 17 . 16 1 1 A 10 10 GLU CB C 10 30.590 32.934 -2.344 1
1 23 . 16 1 1 A 10 10 GLU C C 10 176.309 174.681 1.628 1
1 24 . 16 1 1 A 11 11 LYS N N 11 123.786 124.215 -0.429 1
1 25 . 16 1 1 A 11 11 LYS H H 11 8.422 8.360 0.062 1
1 26 . 16 1 1 A 11 11 LYS CA C 11 54.092 53.289 0.803 1
1 27 . 16 1 1 A 11 11 LYS HA H 11 4.614 4.586 0.028 1
1 28 . 16 1 1 A 11 11 LYS CB C 11 32.512 36.638 -4.126 1
1 40 . 16 1 1 A 11 11 LYS C C 11 174.485 175.374 -0.889 1
1 41 . 16 1 1 A 12 12 PRO CA C 12 63.537 64.823 -1.286 1
1 42 . 16 1 1 A 12 12 PRO HA H 12 4.222 4.274 -0.052 1
1 43 . 16 1 1 A 12 12 PRO CB C 12 32.294 31.992 0.302 1
1 52 . 16 1 1 A 12 12 PRO C C 12 176.522 176.027 0.495 1
1 53 . 16 1 1 A 13 13 TYR N N 13 118.425 116.907 1.518 1
1 54 . 16 1 1 A 13 13 TYR H H 13 7.747 7.648 0.099 1
1 55 . 16 1 1 A 13 13 TYR CA C 13 57.492 56.294 1.198 1
1 56 . 16 1 1 A 13 13 TYR HA H 13 4.643 5.336 -0.693 1
1 57 . 16 1 1 A 13 13 TYR CB C 13 38.298 43.301 -5.003 1
1 68 . 16 1 1 A 13 13 TYR C C 13 174.436 174.204 0.232 1
1 69 . 16 1 1 A 14 14 LYS N N 14 125.064 122.947 2.117 1
1 70 . 16 1 1 A 14 14 LYS H H 14 8.580 8.807 -0.227 1
1 71 . 16 1 1 A 14 14 LYS CA C 14 55.150 55.830 -0.680 1
1 72 . 16 1 1 A 14 14 LYS HA H 14 4.934 4.793 0.141 1
1 73 . 16 1 1 A 14 14 LYS CB C 14 35.364 36.528 -1.164 1
1 85 . 16 1 1 A 14 14 LYS C C 14 175.164 174.445 0.719 1
1 86 . 16 1 1 A 15 15 CYS N N 15 126.356 124.507 1.849 1
1 87 . 16 1 1 A 15 15 CYS H H 15 9.216 9.324 -0.108 1
1 88 . 16 1 1 A 15 15 CYS CA C 15 59.505 58.395 1.110 1
1 89 . 16 1 1 A 15 15 CYS HA H 15 4.499 4.764 -0.265 1
1 90 . 16 1 1 A 15 15 CYS CB C 15 29.802 28.599 1.203 1
1 93 . 16 1 1 A 15 15 CYS C C 15 177.060 176.268 0.792 1
1 94 . 16 1 1 A 16 16 ASN N N 16 130.128 122.618 7.510 1
1 95 . 16 1 1 A 16 16 ASN H H 16 9.375 8.924 0.451 1
1 96 . 16 1 1 A 16 16 ASN CA C 16 55.567 52.735 2.832 1
1 97 . 16 1 1 A 16 16 ASN HA H 16 4.526 4.801 -0.275 1
1 98 . 16 1 1 A 16 16 ASN CB C 16 38.377 37.931 0.446 1
1 104 . 16 1 1 A 16 16 ASN C C 16 175.395 174.534 0.861 1
1 105 . 16 1 1 A 17 17 GLU N N 17 121.112 117.607 3.505 1
1 106 . 16 1 1 A 17 17 GLU H H 17 8.801 7.937 0.864 1
1 107 . 16 1 1 A 17 17 GLU CA C 17 58.384 57.041 1.343 1
1 108 . 16 1 1 A 17 17 GLU HA H 17 4.227 4.489 -0.262 1
1 109 . 16 1 1 A 17 17 GLU CB C 17 29.679 32.212 -2.533 1
1 115 . 16 1 1 A 17 17 GLU C C 17 177.104 177.797 -0.693 1
1 116 . 16 1 1 A 18 18 CYS N N 18 114.836 114.577 0.259 1
1 117 . 16 1 1 A 18 18 CYS H H 18 7.953 8.140 -0.187 1
1 118 . 16 1 1 A 18 18 CYS CA C 18 58.341 59.736 -1.395 1
1 119 . 16 1 1 A 18 18 CYS HA H 18 5.156 4.734 0.422 1
1 120 . 16 1 1 A 18 18 CYS CB C 18 32.523 29.996 2.527 1
1 123 . 16 1 1 A 18 18 CYS C C 18 176.223 175.603 0.620 1
1 124 . 16 1 1 A 19 19 GLY N N 19 113.235 110.038 3.197 1
1 125 . 16 1 1 A 19 19 GLY H H 19 8.138 8.072 0.066 1
1 126 . 16 1 1 A 19 19 GLY CA C 19 46.304 45.117 1.187 1
1 127 . 16 1 1 A 19 19 GLY HA2 H 19 3.785 4.066 -0.281 1
1 128 . 16 1 1 A 19 19 GLY HA3 H 19 4.241 4.073 0.168 1
1 129 . 16 1 1 A 19 19 GLY C C 19 173.712 174.111 -0.399 1
1 130 . 16 1 1 A 20 20 LYS N N 20 123.349 119.176 4.173 1
1 131 . 16 1 1 A 20 20 LYS H H 20 8.040 7.842 0.198 1
1 132 . 16 1 1 A 20 20 LYS CA C 20 58.424 55.107 3.317 1
1 133 . 16 1 1 A 20 20 LYS HA H 20 3.919 4.187 -0.268 1
1 134 . 16 1 1 A 20 20 LYS CB C 20 33.699 33.404 0.295 1
1 146 . 16 1 1 A 20 20 LYS C C 20 173.678 174.958 -1.280 1
1 147 . 16 1 1 A 21 21 ALA N N 21 124.050 128.196 -4.146 1
1 148 . 16 1 1 A 21 21 ALA H H 21 7.783 8.829 -1.046 1
1 149 . 16 1 1 A 21 21 ALA CA C 21 50.427 49.928 0.499 1
1 150 . 16 1 1 A 21 21 ALA HA H 21 5.135 5.512 -0.377 1
1 151 . 16 1 1 A 21 21 ALA CB C 21 22.453 22.044 0.409 1
1 155 . 16 1 1 A 21 21 ALA C C 21 176.113 176.111 0.002 1
1 156 . 16 1 1 A 22 22 PHE N N 22 116.580 118.089 -1.509 1
1 157 . 16 1 1 A 22 22 PHE H H 22 8.754 8.822 -0.068 1
1 158 . 16 1 1 A 22 22 PHE CA C 22 57.200 57.162 0.038 1
1 159 . 16 1 1 A 22 22 PHE HA H 22 4.695 4.966 -0.271 1
1 160 . 16 1 1 A 22 22 PHE CB C 22 44.007 43.204 0.803 1
1 173 . 16 1 1 A 22 22 PHE C C 22 175.166 176.247 -1.081 1
1 174 . 16 1 1 A 23 23 ARG N N 23 120.122 121.631 -1.509 1
1 175 . 16 1 1 A 23 23 ARG H H 23 9.062 9.133 -0.071 1
1 176 . 16 1 1 A 23 23 ARG CA C 23 57.935 57.248 0.687 1
1 177 . 16 1 1 A 23 23 ARG HA H 23 4.503 4.534 -0.031 1
1 178 . 16 1 1 A 23 23 ARG CB C 23 31.133 32.016 -0.883 1
1 187 . 16 1 1 A 23 23 ARG C C 23 175.314 176.187 -0.873 1
1 188 . 16 1 1 A 24 24 ALA N N 24 118.433 117.755 0.678 1
1 189 . 16 1 1 A 24 24 ALA H H 24 7.636 7.766 -0.130 1
1 190 . 16 1 1 A 24 24 ALA CA C 24 50.400 50.510 -0.110 1
1 191 . 16 1 1 A 24 24 ALA HA H 24 4.860 4.831 0.029 1
1 192 . 16 1 1 A 24 24 ALA CB C 24 21.958 21.872 0.086 1
1 196 . 16 1 1 A 24 24 ALA C C 24 176.866 176.991 -0.125 1
1 197 . 16 1 1 A 25 25 ARG N N 25 124.787 119.984 4.803 1
1 198 . 16 1 1 A 25 25 ARG H H 25 8.490 8.328 0.162 1
1 199 . 16 1 1 A 25 25 ARG CA C 25 59.298 59.045 0.253 1
1 200 . 16 1 1 A 25 25 ARG HA H 25 3.125 2.788 0.337 1
1 201 . 16 1 1 A 25 25 ARG CB C 25 29.270 29.914 -0.644 1
1 210 . 16 1 1 A 25 25 ARG C C 25 178.954 177.716 1.238 1
1 211 . 16 1 1 A 26 26 SER CA C 26 60.587 61.641 -1.054 1
1 212 . 16 1 1 A 26 26 SER HA H 26 4.057 4.028 0.029 1
1 213 . 16 1 1 A 26 26 SER CB C 26 61.336 62.786 -1.450 1
1 216 . 16 1 1 A 26 26 SER C C 26 177.007 176.555 0.452 1
1 217 . 16 1 1 A 27 27 SER N N 27 117.278 117.236 0.042 1
1 218 . 16 1 1 A 27 27 SER H H 27 6.825 7.881 -1.056 1
1 219 . 16 1 1 A 27 27 SER CA C 27 60.701 62.276 -1.575 1
1 220 . 16 1 1 A 27 27 SER HA H 27 4.167 4.064 0.103 1
1 221 . 16 1 1 A 27 27 SER CB C 27 62.349 63.135 -0.786 1
1 224 . 16 1 1 A 27 27 SER C C 27 176.462 175.542 0.920 1
1 225 . 16 1 1 A 28 28 LEU N N 28 123.661 122.034 1.627 1
1 226 . 16 1 1 A 28 28 LEU H H 28 7.171 7.580 -0.409 1
1 227 . 16 1 1 A 28 28 LEU CA C 28 57.758 57.049 0.709 1
1 228 . 16 1 1 A 28 28 LEU HA H 28 3.179 1.999 1.180 1
1 229 . 16 1 1 A 28 28 LEU CB C 28 40.196 40.981 -0.785 1
1 242 . 16 1 1 A 28 28 LEU C C 28 177.102 177.862 -0.760 1
1 243 . 16 1 1 A 29 29 ALA N N 29 121.695 120.551 1.144 1
1 244 . 16 1 1 A 29 29 ALA H H 29 7.996 8.404 -0.408 1
1 245 . 16 1 1 A 29 29 ALA CA C 29 55.373 55.227 0.146 1
1 246 . 16 1 1 A 29 29 ALA HA H 29 4.175 3.940 0.235 1
1 247 . 16 1 1 A 29 29 ALA CB C 29 17.751 18.420 -0.669 1
1 251 . 16 1 1 A 29 29 ALA C C 29 181.065 180.003 1.062 1
1 252 . 16 1 1 A 30 30 ILE N N 30 118.797 117.939 0.858 1
1 253 . 16 1 1 A 30 30 ILE H H 30 7.480 7.804 -0.324 1
1 254 . 16 1 1 A 30 30 ILE CA C 30 64.334 65.042 -0.708 1
1 255 . 16 1 1 A 30 30 ILE HA H 30 3.698 3.696 0.002 1
1 256 . 16 1 1 A 30 30 ILE CB C 30 38.471 37.778 0.693 1
1 269 . 16 1 1 A 30 30 ILE C C 30 178.562 178.479 0.083 1
1 270 . 16 1 1 A 31 31 HIS N N 31 118.999 119.527 -0.528 1
1 271 . 16 1 1 A 31 31 HIS H H 31 7.443 7.889 -0.446 1
1 272 . 16 1 1 A 31 31 HIS CA C 31 59.207 59.831 -0.624 1
1 273 . 16 1 1 A 31 31 HIS HA H 31 4.235 4.221 0.014 1
1 274 . 16 1 1 A 31 31 HIS CB C 31 28.607 30.137 -1.530 1
1 281 . 16 1 1 A 31 31 HIS C C 31 178.221 177.615 0.606 1
1 282 . 16 1 1 A 32 32 GLN N N 32 120.561 117.740 2.821 1
1 283 . 16 1 1 A 32 32 GLN H H 32 9.107 8.512 0.595 1
1 284 . 16 1 1 A 32 32 GLN CA C 32 59.849 58.719 1.130 1
1 285 . 16 1 1 A 32 32 GLN HA H 32 3.717 3.937 -0.220 1
1 286 . 16 1 1 A 32 32 GLN CB C 32 28.269 28.224 0.045 1
1 295 . 16 1 1 A 32 32 GLN C C 32 177.933 177.404 0.529 1
1 296 . 16 1 1 A 33 33 ALA N N 33 120.580 121.123 -0.543 1
1 297 . 16 1 1 A 33 33 ALA H H 33 7.225 7.263 -0.038 1
1 298 . 16 1 1 A 33 33 ALA CA C 33 54.275 53.116 1.159 1
1 299 . 16 1 1 A 33 33 ALA HA H 33 4.223 4.171 0.052 1
1 300 . 16 1 1 A 33 33 ALA CB C 33 18.072 17.900 0.172 1
1 304 . 16 1 1 A 33 33 ALA C C 33 179.277 177.921 1.356 1
1 305 . 16 1 1 A 34 34 THR N N 34 108.871 112.154 -3.283 1
1 306 . 16 1 1 A 34 34 THR H H 34 7.690 8.205 -0.515 1
1 307 . 16 1 1 A 34 34 THR CA C 34 63.808 62.741 1.067 1
1 308 . 16 1 1 A 34 34 THR HA H 34 4.152 4.471 -0.319 1
1 309 . 16 1 1 A 34 34 THR CB C 34 69.413 70.672 -1.259 1
1 315 . 16 1 1 A 34 34 THR C C 34 175.831 174.376 1.455 1
1 316 . 16 1 1 A 35 35 HIS N N 35 118.845 118.986 -0.141 1
1 317 . 16 1 1 A 35 35 HIS H H 35 7.183 7.598 -0.415 1
1 318 . 16 1 1 A 35 35 HIS CA C 35 55.596 54.658 0.938 1
1 319 . 16 1 1 A 35 35 HIS HA H 35 4.800 4.631 0.169 1
1 320 . 16 1 1 A 35 35 HIS CB C 35 28.675 27.873 0.802 1
1 327 . 16 1 1 A 35 35 HIS C C 35 175.495 174.261 1.234 1
1 328 . 16 1 1 A 36 36 SER N N 36 115.119 121.650 -6.531 1
1 329 . 16 1 1 A 36 36 SER H H 36 7.871 8.591 -0.720 1
1 330 . 16 1 1 A 36 36 SER CA C 36 58.965 57.461 1.504 1
1 331 . 16 1 1 A 36 36 SER HA H 36 4.444 4.727 -0.283 1
1 332 . 16 1 1 A 36 36 SER CB C 36 63.882 62.234 1.648 1
1 335 . 16 1 1 A 36 36 SER C C 36 175.070 174.734 0.336 1
1 336 . 16 1 1 A 37 37 GLY N N 37 110.906 116.218 -5.312 1
1 337 . 16 1 1 A 37 37 GLY H H 37 8.364 8.972 -0.608 1
1 338 . 16 1 1 A 37 37 GLY CA C 37 45.222 47.228 -2.006 1
1 339 . 16 1 1 A 37 37 GLY HA2 H 37 3.977 3.818 0.159 1
1 340 . 16 1 1 A 37 37 GLY HA3 H 37 3.901 3.824 0.077 1
1 341 . 16 1 1 A 37 37 GLY C C 37 174.068 173.701 0.367 1
1 342 . 16 1 1 A 38 38 GLU N N 38 120.200 121.256 -1.056 1
1 343 . 16 1 1 A 38 38 GLU H H 38 8.198 8.391 -0.193 1
1 344 . 16 1 1 A 38 38 GLU CA C 38 56.989 54.879 2.110 1
1 345 . 16 1 1 A 38 38 GLU HA H 38 4.140 5.120 -0.980 1
1 346 . 16 1 1 A 38 38 GLU CB C 38 30.446 32.368 -1.922 1
1 352 . 16 1 1 A 38 38 GLU C C 38 176.270 174.470 1.800 1
1 353 . 16 1 1 A 39 39 LYS N N 39 120.907 125.636 -4.729 1
1 354 . 16 1 1 A 39 39 LYS H H 39 8.233 9.000 -0.767 1
1 355 . 16 1 1 A 39 39 LYS CA C 39 53.740 52.926 0.814 1
1 356 . 16 1 1 A 39 39 LYS HA H 39 4.464 4.984 -0.520 1
1 357 . 16 1 1 A 39 39 LYS CB C 39 33.224 33.507 -0.283 1
1 369 . 16 1 1 A 39 39 LYS C C 39 173.830 174.573 -0.743 1
1 370 . 16 1 1 A 40 40 PRO CA C 40 63.189 62.388 0.801 1
1 371 . 16 1 1 A 40 40 PRO HA H 40 4.462 4.615 -0.153 1
1 372 . 16 1 1 A 40 40 PRO CB C 40 32.177 32.864 -0.687 1
1 381 . 16 1 1 A 41 41 SER N N 41 116.632 116.705 -0.073 1
1 382 . 16 1 1 A 41 41 SER H H 41 8.507 8.466 0.041 1
1 383 . 16 1 1 A 41 41 SER CA C 41 58.580 57.127 1.453 1
1 384 . 16 1 1 A 41 41 SER HA H 41 4.502 4.826 -0.324 1
1 385 . 16 1 1 A 41 41 SER CB C 41 63.908 64.421 -0.513 1
1 388 . 16 1 1 A 42 42 GLY N N 42 110.670 114.020 -3.350 1
1 389 . 16 1 1 A 42 42 GLY H H 42 8.222 8.593 -0.371 1
1 390 . 16 1 1 A 42 42 GLY CA C 42 44.675 45.443 -0.768 1
1 391 . 16 1 1 A 42 42 GLY HA2 H 42 4.151 4.432 -0.281 1
1 392 . 16 1 1 A 42 42 GLY HA3 H 42 4.079 4.432 -0.353 1
1 393 . 16 1 1 A 43 43 PRO CA C 43 63.074 63.953 -0.879 1
1 394 . 16 1 1 A 43 43 PRO HA H 43 4.462 4.481 -0.019 1
1 395 . 16 1 1 A 43 43 PRO CB C 43 32.165 31.938 0.227 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.936 60.843 1.093 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.334 4.432 -0.098 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.790 68.016 1.774 1
1 9 . 17 1 1 A 9 9 GLY CA C 9 45.303 44.081 1.222 1
1 10 . 17 1 1 A 9 9 GLY HA2 H 9 3.975 4.081 -0.106 1
1 11 . 17 1 1 A 9 9 GLY HA3 H 9 3.975 4.081 -0.106 1
1 12 . 17 1 1 A 9 9 GLY C C 9 174.030 172.985 1.045 1
1 13 . 17 1 1 A 10 10 GLU N N 10 120.522 117.197 3.325 1
1 14 . 17 1 1 A 10 10 GLU H H 10 8.138 8.975 -0.837 1
1 15 . 17 1 1 A 10 10 GLU CA C 10 56.348 54.815 1.533 1
1 16 . 17 1 1 A 10 10 GLU HA H 10 4.254 5.365 -1.111 1
1 17 . 17 1 1 A 10 10 GLU CB C 10 30.590 33.029 -2.439 1
1 23 . 17 1 1 A 10 10 GLU C C 10 176.309 174.593 1.716 1
1 24 . 17 1 1 A 11 11 LYS N N 11 123.786 120.660 3.126 1
1 25 . 17 1 1 A 11 11 LYS H H 11 8.422 8.615 -0.193 1
1 26 . 17 1 1 A 11 11 LYS CA C 11 54.092 54.798 -0.706 1
1 27 . 17 1 1 A 11 11 LYS HA H 11 4.614 4.888 -0.274 1
1 28 . 17 1 1 A 11 11 LYS CB C 11 32.512 35.387 -2.875 1
1 40 . 17 1 1 A 11 11 LYS C C 11 174.485 175.920 -1.435 1
1 41 . 17 1 1 A 12 12 PRO CA C 12 63.537 64.858 -1.321 1
1 42 . 17 1 1 A 12 12 PRO HA H 12 4.222 4.419 -0.197 1
1 43 . 17 1 1 A 12 12 PRO CB C 12 32.294 32.184 0.110 1
1 52 . 17 1 1 A 12 12 PRO C C 12 176.522 176.281 0.241 1
1 53 . 17 1 1 A 13 13 TYR N N 13 118.425 117.018 1.407 1
1 54 . 17 1 1 A 13 13 TYR H H 13 7.747 7.736 0.011 1
1 55 . 17 1 1 A 13 13 TYR CA C 13 57.492 56.299 1.193 1
1 56 . 17 1 1 A 13 13 TYR HA H 13 4.643 5.357 -0.714 1
1 57 . 17 1 1 A 13 13 TYR CB C 13 38.298 43.168 -4.870 1
1 68 . 17 1 1 A 13 13 TYR C C 13 174.436 174.363 0.073 1
1 69 . 17 1 1 A 14 14 LYS N N 14 125.064 121.435 3.629 1
1 70 . 17 1 1 A 14 14 LYS H H 14 8.580 8.842 -0.262 1
1 71 . 17 1 1 A 14 14 LYS CA C 14 55.150 55.857 -0.707 1
1 72 . 17 1 1 A 14 14 LYS HA H 14 4.934 5.232 -0.298 1
1 73 . 17 1 1 A 14 14 LYS CB C 14 35.364 36.917 -1.553 1
1 85 . 17 1 1 A 14 14 LYS C C 14 175.164 174.145 1.019 1
1 86 . 17 1 1 A 15 15 CYS N N 15 126.356 123.758 2.598 1
1 87 . 17 1 1 A 15 15 CYS H H 15 9.216 9.410 -0.194 1
1 88 . 17 1 1 A 15 15 CYS CA C 15 59.505 58.327 1.178 1
1 89 . 17 1 1 A 15 15 CYS HA H 15 4.499 4.894 -0.395 1
1 90 . 17 1 1 A 15 15 CYS CB C 15 29.802 29.310 0.492 1
1 93 . 17 1 1 A 15 15 CYS C C 15 177.060 174.779 2.281 1
1 94 . 17 1 1 A 16 16 ASN N N 16 130.128 123.298 6.830 1
1 95 . 17 1 1 A 16 16 ASN H H 16 9.375 8.965 0.410 1
1 96 . 17 1 1 A 16 16 ASN CA C 16 55.567 53.791 1.776 1
1 97 . 17 1 1 A 16 16 ASN HA H 16 4.526 4.771 -0.245 1
1 98 . 17 1 1 A 16 16 ASN CB C 16 38.377 40.372 -1.995 1
1 104 . 17 1 1 A 16 16 ASN C C 16 175.395 177.273 -1.878 1
1 105 . 17 1 1 A 17 17 GLU N N 17 121.112 118.726 2.386 1
1 106 . 17 1 1 A 17 17 GLU H H 17 8.801 7.694 1.107 1
1 107 . 17 1 1 A 17 17 GLU CA C 17 58.384 58.781 -0.397 1
1 108 . 17 1 1 A 17 17 GLU HA H 17 4.227 3.974 0.253 1
1 109 . 17 1 1 A 17 17 GLU CB C 17 29.679 29.292 0.387 1
1 115 . 17 1 1 A 17 17 GLU C C 17 177.104 178.034 -0.930 1
1 116 . 17 1 1 A 18 18 CYS N N 18 114.836 115.165 -0.329 1
1 117 . 17 1 1 A 18 18 CYS H H 18 7.953 8.065 -0.112 1
1 118 . 17 1 1 A 18 18 CYS CA C 18 58.341 59.415 -1.074 1
1 119 . 17 1 1 A 18 18 CYS HA H 18 5.156 4.733 0.423 1
1 120 . 17 1 1 A 18 18 CYS CB C 18 32.523 30.272 2.251 1
1 123 . 17 1 1 A 18 18 CYS C C 18 176.223 175.788 0.435 1
1 124 . 17 1 1 A 19 19 GLY N N 19 113.235 110.530 2.705 1
1 125 . 17 1 1 A 19 19 GLY H H 19 8.138 8.298 -0.160 1
1 126 . 17 1 1 A 19 19 GLY CA C 19 46.304 45.528 0.776 1
1 127 . 17 1 1 A 19 19 GLY HA2 H 19 3.785 3.987 -0.202 1
1 128 . 17 1 1 A 19 19 GLY HA3 H 19 4.241 4.010 0.231 1
1 129 . 17 1 1 A 19 19 GLY C C 19 173.712 174.485 -0.773 1
1 130 . 17 1 1 A 20 20 LYS N N 20 123.349 122.148 1.201 1
1 131 . 17 1 1 A 20 20 LYS H H 20 8.040 7.535 0.505 1
1 132 . 17 1 1 A 20 20 LYS CA C 20 58.424 56.087 2.337 1
1 133 . 17 1 1 A 20 20 LYS HA H 20 3.919 4.210 -0.291 1
1 134 . 17 1 1 A 20 20 LYS CB C 20 33.699 33.511 0.188 1
1 146 . 17 1 1 A 20 20 LYS C C 20 173.678 175.515 -1.837 1
1 147 . 17 1 1 A 21 21 ALA N N 21 124.050 128.029 -3.979 1
1 148 . 17 1 1 A 21 21 ALA H H 21 7.783 8.380 -0.597 1
1 149 . 17 1 1 A 21 21 ALA CA C 21 50.427 50.191 0.236 1
1 150 . 17 1 1 A 21 21 ALA HA H 21 5.135 5.327 -0.192 1
1 151 . 17 1 1 A 21 21 ALA CB C 21 22.453 20.937 1.516 1
1 155 . 17 1 1 A 21 21 ALA C C 21 176.113 176.141 -0.028 1
1 156 . 17 1 1 A 22 22 PHE N N 22 116.580 121.058 -4.478 1
1 157 . 17 1 1 A 22 22 PHE H H 22 8.754 8.834 -0.080 1
1 158 . 17 1 1 A 22 22 PHE CA C 22 57.200 57.442 -0.242 1
1 159 . 17 1 1 A 22 22 PHE HA H 22 4.695 4.959 -0.264 1
1 160 . 17 1 1 A 22 22 PHE CB C 22 44.007 41.372 2.635 1
1 173 . 17 1 1 A 22 22 PHE C C 22 175.166 175.952 -0.786 1
1 174 . 17 1 1 A 23 23 ARG N N 23 120.122 119.773 0.349 1
1 175 . 17 1 1 A 23 23 ARG H H 23 9.062 9.099 -0.037 1
1 176 . 17 1 1 A 23 23 ARG CA C 23 57.935 56.609 1.326 1
1 177 . 17 1 1 A 23 23 ARG HA H 23 4.503 4.686 -0.183 1
1 178 . 17 1 1 A 23 23 ARG CB C 23 31.133 32.336 -1.203 1
1 187 . 17 1 1 A 23 23 ARG C C 23 175.314 176.179 -0.865 1
1 188 . 17 1 1 A 24 24 ALA N N 24 118.433 118.852 -0.419 1
1 189 . 17 1 1 A 24 24 ALA H H 24 7.636 7.698 -0.062 1
1 190 . 17 1 1 A 24 24 ALA CA C 24 50.400 50.664 -0.264 1
1 191 . 17 1 1 A 24 24 ALA HA H 24 4.860 4.638 0.222 1
1 192 . 17 1 1 A 24 24 ALA CB C 24 21.958 21.835 0.123 1
1 196 . 17 1 1 A 24 24 ALA C C 24 176.866 176.957 -0.091 1
1 197 . 17 1 1 A 25 25 ARG N N 25 124.787 118.569 6.218 1
1 198 . 17 1 1 A 25 25 ARG H H 25 8.490 8.459 0.031 1
1 199 . 17 1 1 A 25 25 ARG CA C 25 59.298 58.443 0.855 1
1 200 . 17 1 1 A 25 25 ARG HA H 25 3.125 3.139 -0.014 1
1 201 . 17 1 1 A 25 25 ARG CB C 25 29.270 29.515 -0.245 1
1 210 . 17 1 1 A 25 25 ARG C C 25 178.954 178.025 0.929 1
1 211 . 17 1 1 A 26 26 SER CA C 26 60.587 61.148 -0.561 1
1 212 . 17 1 1 A 26 26 SER HA H 26 4.057 4.004 0.053 1
1 213 . 17 1 1 A 26 26 SER CB C 26 61.336 62.779 -1.443 1
1 216 . 17 1 1 A 26 26 SER C C 26 177.007 176.463 0.544 1
1 217 . 17 1 1 A 27 27 SER N N 27 117.278 117.287 -0.009 1
1 218 . 17 1 1 A 27 27 SER H H 27 6.825 7.978 -1.153 1
1 219 . 17 1 1 A 27 27 SER CA C 27 60.701 62.132 -1.431 1
1 220 . 17 1 1 A 27 27 SER HA H 27 4.167 4.148 0.019 1
1 221 . 17 1 1 A 27 27 SER CB C 27 62.349 63.046 -0.697 1
1 224 . 17 1 1 A 27 27 SER C C 27 176.462 175.797 0.665 1
1 225 . 17 1 1 A 28 28 LEU N N 28 123.661 121.990 1.671 1
1 226 . 17 1 1 A 28 28 LEU H H 28 7.171 7.821 -0.650 1
1 227 . 17 1 1 A 28 28 LEU CA C 28 57.758 56.941 0.817 1
1 228 . 17 1 1 A 28 28 LEU HA H 28 3.179 2.667 0.512 1
1 229 . 17 1 1 A 28 28 LEU CB C 28 40.196 41.141 -0.945 1
1 242 . 17 1 1 A 28 28 LEU C C 28 177.102 178.296 -1.194 1
1 243 . 17 1 1 A 29 29 ALA N N 29 121.695 120.888 0.807 1
1 244 . 17 1 1 A 29 29 ALA H H 29 7.996 8.120 -0.124 1
1 245 . 17 1 1 A 29 29 ALA CA C 29 55.373 55.294 0.079 1
1 246 . 17 1 1 A 29 29 ALA HA H 29 4.175 3.984 0.191 1
1 247 . 17 1 1 A 29 29 ALA CB C 29 17.751 18.583 -0.832 1
1 251 . 17 1 1 A 29 29 ALA C C 29 181.065 179.548 1.517 1
1 252 . 17 1 1 A 30 30 ILE N N 30 118.797 117.774 1.023 1
1 253 . 17 1 1 A 30 30 ILE H H 30 7.480 7.636 -0.156 1
1 254 . 17 1 1 A 30 30 ILE CA C 30 64.334 65.076 -0.742 1
1 255 . 17 1 1 A 30 30 ILE HA H 30 3.698 3.715 -0.017 1
1 256 . 17 1 1 A 30 30 ILE CB C 30 38.471 37.758 0.713 1
1 269 . 17 1 1 A 30 30 ILE C C 30 178.562 178.513 0.049 1
1 270 . 17 1 1 A 31 31 HIS N N 31 118.999 119.950 -0.951 1
1 271 . 17 1 1 A 31 31 HIS H H 31 7.443 7.656 -0.213 1
1 272 . 17 1 1 A 31 31 HIS CA C 31 59.207 59.766 -0.559 1
1 273 . 17 1 1 A 31 31 HIS HA H 31 4.235 4.268 -0.033 1
1 274 . 17 1 1 A 31 31 HIS CB C 31 28.607 29.920 -1.313 1
1 281 . 17 1 1 A 31 31 HIS C C 31 178.221 177.284 0.937 1
1 282 . 17 1 1 A 32 32 GLN N N 32 120.561 117.174 3.387 1
1 283 . 17 1 1 A 32 32 GLN H H 32 9.107 8.402 0.705 1
1 284 . 17 1 1 A 32 32 GLN CA C 32 59.849 58.440 1.409 1
1 285 . 17 1 1 A 32 32 GLN HA H 32 3.717 3.758 -0.041 1
1 286 . 17 1 1 A 32 32 GLN CB C 32 28.269 28.197 0.072 1
1 295 . 17 1 1 A 32 32 GLN C C 32 177.933 177.205 0.728 1
1 296 . 17 1 1 A 33 33 ALA N N 33 120.580 121.110 -0.530 1
1 297 . 17 1 1 A 33 33 ALA H H 33 7.225 7.264 -0.039 1
1 298 . 17 1 1 A 33 33 ALA CA C 33 54.275 52.982 1.293 1
1 299 . 17 1 1 A 33 33 ALA HA H 33 4.223 4.247 -0.024 1
1 300 . 17 1 1 A 33 33 ALA CB C 33 18.072 17.885 0.187 1
1 304 . 17 1 1 A 33 33 ALA C C 33 179.277 177.762 1.515 1
1 305 . 17 1 1 A 34 34 THR N N 34 108.871 108.324 0.547 1
1 306 . 17 1 1 A 34 34 THR H H 34 7.690 7.864 -0.174 1
1 307 . 17 1 1 A 34 34 THR CA C 34 63.808 62.552 1.256 1
1 308 . 17 1 1 A 34 34 THR HA H 34 4.152 4.453 -0.301 1
1 309 . 17 1 1 A 34 34 THR CB C 34 69.413 69.915 -0.502 1
1 315 . 17 1 1 A 34 34 THR C C 34 175.831 176.046 -0.215 1
1 316 . 17 1 1 A 35 35 HIS N N 35 118.845 119.375 -0.530 1
1 317 . 17 1 1 A 35 35 HIS H H 35 7.183 7.770 -0.587 1
1 318 . 17 1 1 A 35 35 HIS CA C 35 55.596 59.315 -3.719 1
1 319 . 17 1 1 A 35 35 HIS HA H 35 4.800 4.379 0.421 1
1 320 . 17 1 1 A 35 35 HIS CB C 35 28.675 29.676 -1.001 1
1 327 . 17 1 1 A 35 35 HIS C C 35 175.495 176.430 -0.935 1
1 328 . 17 1 1 A 36 36 SER N N 36 115.119 113.076 2.043 1
1 329 . 17 1 1 A 36 36 SER H H 36 7.871 7.690 0.181 1
1 330 . 17 1 1 A 36 36 SER CA C 36 58.965 59.730 -0.765 1
1 331 . 17 1 1 A 36 36 SER HA H 36 4.444 4.160 0.284 1
1 332 . 17 1 1 A 36 36 SER CB C 36 63.882 63.470 0.412 1
1 335 . 17 1 1 A 36 36 SER C C 36 175.070 174.025 1.045 1
1 336 . 17 1 1 A 37 37 GLY N N 37 110.906 113.260 -2.354 1
1 337 . 17 1 1 A 37 37 GLY H H 37 8.364 8.320 0.044 1
1 338 . 17 1 1 A 37 37 GLY CA C 37 45.222 46.087 -0.865 1
1 339 . 17 1 1 A 37 37 GLY HA2 H 37 3.977 4.197 -0.220 1
1 340 . 17 1 1 A 37 37 GLY HA3 H 37 3.901 4.200 -0.299 1
1 341 . 17 1 1 A 37 37 GLY C C 37 174.068 173.678 0.390 1
1 342 . 17 1 1 A 38 38 GLU N N 38 120.200 123.975 -3.775 1
1 343 . 17 1 1 A 38 38 GLU H H 38 8.198 8.442 -0.244 1
1 344 . 17 1 1 A 38 38 GLU CA C 38 56.989 56.516 0.473 1
1 345 . 17 1 1 A 38 38 GLU HA H 38 4.140 4.457 -0.317 1
1 346 . 17 1 1 A 38 38 GLU CB C 38 30.446 31.729 -1.283 1
1 352 . 17 1 1 A 38 38 GLU C C 38 176.270 176.489 -0.219 1
1 353 . 17 1 1 A 39 39 LYS N N 39 120.907 121.016 -0.109 1
1 354 . 17 1 1 A 39 39 LYS H H 39 8.233 7.637 0.596 1
1 355 . 17 1 1 A 39 39 LYS CA C 39 53.740 53.245 0.495 1
1 356 . 17 1 1 A 39 39 LYS HA H 39 4.464 4.690 -0.226 1
1 357 . 17 1 1 A 39 39 LYS CB C 39 33.224 33.560 -0.336 1
1 369 . 17 1 1 A 39 39 LYS C C 39 173.830 174.219 -0.389 1
1 370 . 17 1 1 A 40 40 PRO CA C 40 63.189 62.315 0.874 1
1 371 . 17 1 1 A 40 40 PRO HA H 40 4.462 4.760 -0.298 1
1 372 . 17 1 1 A 40 40 PRO CB C 40 32.177 29.454 2.723 1
1 381 . 17 1 1 A 41 41 SER N N 41 116.632 118.490 -1.858 1
1 382 . 17 1 1 A 41 41 SER H H 41 8.507 8.517 -0.010 1
1 383 . 17 1 1 A 41 41 SER CA C 41 58.580 59.172 -0.592 1
1 384 . 17 1 1 A 41 41 SER HA H 41 4.502 4.553 -0.051 1
1 385 . 17 1 1 A 41 41 SER CB C 41 63.908 63.621 0.287 1
1 388 . 17 1 1 A 42 42 GLY N N 42 110.670 112.248 -1.578 1
1 389 . 17 1 1 A 42 42 GLY H H 42 8.222 8.565 -0.343 1
1 390 . 17 1 1 A 42 42 GLY CA C 42 44.675 45.531 -0.856 1
1 391 . 17 1 1 A 42 42 GLY HA2 H 42 4.151 4.408 -0.257 1
1 392 . 17 1 1 A 42 42 GLY HA3 H 42 4.079 4.430 -0.351 1
1 393 . 17 1 1 A 43 43 PRO CA C 43 63.074 62.349 0.725 1
1 394 . 17 1 1 A 43 43 PRO HA H 43 4.462 4.604 -0.142 1
1 395 . 17 1 1 A 43 43 PRO CB C 43 32.165 33.007 -0.842 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.936 63.668 -1.732 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.334 4.150 0.184 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.790 69.042 0.748 1
1 9 . 18 1 1 A 9 9 GLY CA C 9 45.303 45.954 -0.651 1
1 10 . 18 1 1 A 9 9 GLY HA2 H 9 3.975 4.148 -0.173 1
1 11 . 18 1 1 A 9 9 GLY HA3 H 9 3.975 4.151 -0.176 1
1 12 . 18 1 1 A 9 9 GLY C C 9 174.030 172.930 1.100 1
1 13 . 18 1 1 A 10 10 GLU N N 10 120.522 119.422 1.100 1
1 14 . 18 1 1 A 10 10 GLU H H 10 8.138 7.735 0.403 1
1 15 . 18 1 1 A 10 10 GLU CA C 10 56.348 55.041 1.307 1
1 16 . 18 1 1 A 10 10 GLU HA H 10 4.254 4.680 -0.426 1
1 17 . 18 1 1 A 10 10 GLU CB C 10 30.590 32.346 -1.756 1
1 23 . 18 1 1 A 10 10 GLU C C 10 176.309 176.136 0.173 1
1 24 . 18 1 1 A 11 11 LYS N N 11 123.786 122.193 1.593 1
1 25 . 18 1 1 A 11 11 LYS H H 11 8.422 8.858 -0.436 1
1 26 . 18 1 1 A 11 11 LYS CA C 11 54.092 56.863 -2.771 1
1 27 . 18 1 1 A 11 11 LYS HA H 11 4.614 4.217 0.397 1
1 28 . 18 1 1 A 11 11 LYS CB C 11 32.512 30.281 2.231 1
1 40 . 18 1 1 A 11 11 LYS C C 11 174.485 176.574 -2.089 1
1 41 . 18 1 1 A 12 12 PRO CA C 12 63.537 65.338 -1.801 1
1 42 . 18 1 1 A 12 12 PRO HA H 12 4.222 4.437 -0.215 1
1 43 . 18 1 1 A 12 12 PRO CB C 12 32.294 31.965 0.329 1
1 52 . 18 1 1 A 12 12 PRO C C 12 176.522 175.883 0.639 1
1 53 . 18 1 1 A 13 13 TYR N N 13 118.425 118.541 -0.116 1
1 54 . 18 1 1 A 13 13 TYR H H 13 7.747 7.768 -0.021 1
1 55 . 18 1 1 A 13 13 TYR CA C 13 57.492 56.955 0.537 1
1 56 . 18 1 1 A 13 13 TYR HA H 13 4.643 5.052 -0.409 1
1 57 . 18 1 1 A 13 13 TYR CB C 13 38.298 41.692 -3.394 1
1 68 . 18 1 1 A 13 13 TYR C C 13 174.436 174.975 -0.539 1
1 69 . 18 1 1 A 14 14 LYS N N 14 125.064 120.527 4.537 1
1 70 . 18 1 1 A 14 14 LYS H H 14 8.580 8.848 -0.268 1
1 71 . 18 1 1 A 14 14 LYS CA C 14 55.150 55.980 -0.830 1
1 72 . 18 1 1 A 14 14 LYS HA H 14 4.934 5.023 -0.089 1
1 73 . 18 1 1 A 14 14 LYS CB C 14 35.364 36.243 -0.879 1
1 85 . 18 1 1 A 14 14 LYS C C 14 175.164 174.535 0.629 1
1 86 . 18 1 1 A 15 15 CYS N N 15 126.356 124.744 1.612 1
1 87 . 18 1 1 A 15 15 CYS H H 15 9.216 9.203 0.013 1
1 88 . 18 1 1 A 15 15 CYS CA C 15 59.505 58.950 0.555 1
1 89 . 18 1 1 A 15 15 CYS HA H 15 4.499 4.665 -0.166 1
1 90 . 18 1 1 A 15 15 CYS CB C 15 29.802 28.362 1.440 1
1 93 . 18 1 1 A 15 15 CYS C C 15 177.060 176.130 0.930 1
1 94 . 18 1 1 A 16 16 ASN N N 16 130.128 126.247 3.881 1
1 95 . 18 1 1 A 16 16 ASN H H 16 9.375 9.138 0.237 1
1 96 . 18 1 1 A 16 16 ASN CA C 16 55.567 54.612 0.955 1
1 97 . 18 1 1 A 16 16 ASN HA H 16 4.526 4.649 -0.123 1
1 98 . 18 1 1 A 16 16 ASN CB C 16 38.377 37.385 0.992 1
1 104 . 18 1 1 A 16 16 ASN C C 16 175.395 176.451 -1.056 1
1 105 . 18 1 1 A 17 17 GLU N N 17 121.112 117.999 3.113 1
1 106 . 18 1 1 A 17 17 GLU H H 17 8.801 7.857 0.944 1
1 107 . 18 1 1 A 17 17 GLU CA C 17 58.384 58.578 -0.194 1
1 108 . 18 1 1 A 17 17 GLU HA H 17 4.227 4.146 0.081 1
1 109 . 18 1 1 A 17 17 GLU CB C 17 29.679 30.033 -0.354 1
1 115 . 18 1 1 A 17 17 GLU C C 17 177.104 178.193 -1.089 1
1 116 . 18 1 1 A 18 18 CYS N N 18 114.836 115.060 -0.224 1
1 117 . 18 1 1 A 18 18 CYS H H 18 7.953 8.209 -0.256 1
1 118 . 18 1 1 A 18 18 CYS CA C 18 58.341 59.607 -1.266 1
1 119 . 18 1 1 A 18 18 CYS HA H 18 5.156 4.680 0.476 1
1 120 . 18 1 1 A 18 18 CYS CB C 18 32.523 29.873 2.650 1
1 123 . 18 1 1 A 18 18 CYS C C 18 176.223 175.382 0.841 1
1 124 . 18 1 1 A 19 19 GLY N N 19 113.235 110.271 2.964 1
1 125 . 18 1 1 A 19 19 GLY H H 19 8.138 8.178 -0.040 1
1 126 . 18 1 1 A 19 19 GLY CA C 19 46.304 45.110 1.194 1
1 127 . 18 1 1 A 19 19 GLY HA2 H 19 3.785 4.066 -0.281 1
1 128 . 18 1 1 A 19 19 GLY HA3 H 19 4.241 4.080 0.161 1
1 129 . 18 1 1 A 19 19 GLY C C 19 173.712 174.450 -0.738 1
1 130 . 18 1 1 A 20 20 LYS N N 20 123.349 122.217 1.132 1
1 131 . 18 1 1 A 20 20 LYS H H 20 8.040 7.549 0.491 1
1 132 . 18 1 1 A 20 20 LYS CA C 20 58.424 55.540 2.884 1
1 133 . 18 1 1 A 20 20 LYS HA H 20 3.919 4.270 -0.351 1
1 134 . 18 1 1 A 20 20 LYS CB C 20 33.699 33.057 0.642 1
1 146 . 18 1 1 A 20 20 LYS C C 20 173.678 175.721 -2.043 1
1 147 . 18 1 1 A 21 21 ALA N N 21 124.050 129.518 -5.468 1
1 148 . 18 1 1 A 21 21 ALA H H 21 7.783 8.705 -0.922 1
1 149 . 18 1 1 A 21 21 ALA CA C 21 50.427 50.184 0.243 1
1 150 . 18 1 1 A 21 21 ALA HA H 21 5.135 5.526 -0.391 1
1 151 . 18 1 1 A 21 21 ALA CB C 21 22.453 20.744 1.709 1
1 155 . 18 1 1 A 21 21 ALA C C 21 176.113 176.832 -0.719 1
1 156 . 18 1 1 A 22 22 PHE N N 22 116.580 121.328 -4.748 1
1 157 . 18 1 1 A 22 22 PHE H H 22 8.754 9.262 -0.508 1
1 158 . 18 1 1 A 22 22 PHE CA C 22 57.200 57.560 -0.360 1
1 159 . 18 1 1 A 22 22 PHE HA H 22 4.695 4.935 -0.240 1
1 160 . 18 1 1 A 22 22 PHE CB C 22 44.007 41.357 2.650 1
1 173 . 18 1 1 A 22 22 PHE C C 22 175.166 176.574 -1.408 1
1 174 . 18 1 1 A 23 23 ARG N N 23 120.122 121.683 -1.561 1
1 175 . 18 1 1 A 23 23 ARG H H 23 9.062 9.119 -0.057 1
1 176 . 18 1 1 A 23 23 ARG CA C 23 57.935 57.259 0.676 1
1 177 . 18 1 1 A 23 23 ARG HA H 23 4.503 4.486 0.017 1
1 178 . 18 1 1 A 23 23 ARG CB C 23 31.133 31.904 -0.771 1
1 187 . 18 1 1 A 23 23 ARG C C 23 175.314 176.113 -0.799 1
1 188 . 18 1 1 A 24 24 ALA N N 24 118.433 117.524 0.909 1
1 189 . 18 1 1 A 24 24 ALA H H 24 7.636 7.814 -0.178 1
1 190 . 18 1 1 A 24 24 ALA CA C 24 50.400 50.746 -0.346 1
1 191 . 18 1 1 A 24 24 ALA HA H 24 4.860 4.758 0.102 1
1 192 . 18 1 1 A 24 24 ALA CB C 24 21.958 21.422 0.536 1
1 196 . 18 1 1 A 24 24 ALA C C 24 176.866 177.329 -0.463 1
1 197 . 18 1 1 A 25 25 ARG N N 25 124.787 119.709 5.078 1
1 198 . 18 1 1 A 25 25 ARG H H 25 8.490 9.072 -0.582 1
1 199 . 18 1 1 A 25 25 ARG CA C 25 59.298 59.722 -0.424 1
1 200 . 18 1 1 A 25 25 ARG HA H 25 3.125 3.448 -0.323 1
1 201 . 18 1 1 A 25 25 ARG CB C 25 29.270 30.045 -0.775 1
1 210 . 18 1 1 A 25 25 ARG C C 25 178.954 178.216 0.738 1
1 211 . 18 1 1 A 26 26 SER CA C 26 60.587 61.649 -1.062 1
1 212 . 18 1 1 A 26 26 SER HA H 26 4.057 4.028 0.029 1
1 213 . 18 1 1 A 26 26 SER CB C 26 61.336 63.092 -1.756 1
1 216 . 18 1 1 A 26 26 SER C C 26 177.007 177.083 -0.076 1
1 217 . 18 1 1 A 27 27 SER N N 27 117.278 117.146 0.132 1
1 218 . 18 1 1 A 27 27 SER H H 27 6.825 8.007 -1.182 1
1 219 . 18 1 1 A 27 27 SER CA C 27 60.701 62.317 -1.616 1
1 220 . 18 1 1 A 27 27 SER HA H 27 4.167 4.130 0.037 1
1 221 . 18 1 1 A 27 27 SER CB C 27 62.349 62.953 -0.604 1
1 224 . 18 1 1 A 27 27 SER C C 27 176.462 175.774 0.688 1
1 225 . 18 1 1 A 28 28 LEU N N 28 123.661 122.294 1.367 1
1 226 . 18 1 1 A 28 28 LEU H H 28 7.171 7.900 -0.729 1
1 227 . 18 1 1 A 28 28 LEU CA C 28 57.758 56.946 0.812 1
1 228 . 18 1 1 A 28 28 LEU HA H 28 3.179 1.691 1.488 1
1 229 . 18 1 1 A 28 28 LEU CB C 28 40.196 40.904 -0.708 1
1 242 . 18 1 1 A 28 28 LEU C C 28 177.102 177.775 -0.673 1
1 243 . 18 1 1 A 29 29 ALA N N 29 121.695 120.613 1.082 1
1 244 . 18 1 1 A 29 29 ALA H H 29 7.996 8.402 -0.406 1
1 245 . 18 1 1 A 29 29 ALA CA C 29 55.373 55.287 0.086 1
1 246 . 18 1 1 A 29 29 ALA HA H 29 4.175 3.976 0.199 1
1 247 . 18 1 1 A 29 29 ALA CB C 29 17.751 18.407 -0.656 1
1 251 . 18 1 1 A 29 29 ALA C C 29 181.065 179.891 1.174 1
1 252 . 18 1 1 A 30 30 ILE N N 30 118.797 117.846 0.951 1
1 253 . 18 1 1 A 30 30 ILE H H 30 7.480 7.974 -0.494 1
1 254 . 18 1 1 A 30 30 ILE CA C 30 64.334 65.011 -0.677 1
1 255 . 18 1 1 A 30 30 ILE HA H 30 3.698 3.751 -0.053 1
1 256 . 18 1 1 A 30 30 ILE CB C 30 38.471 37.842 0.629 1
1 269 . 18 1 1 A 30 30 ILE C C 30 178.562 178.516 0.046 1
1 270 . 18 1 1 A 31 31 HIS N N 31 118.999 119.984 -0.985 1
1 271 . 18 1 1 A 31 31 HIS H H 31 7.443 7.677 -0.234 1
1 272 . 18 1 1 A 31 31 HIS CA C 31 59.207 59.843 -0.636 1
1 273 . 18 1 1 A 31 31 HIS HA H 31 4.235 4.282 -0.047 1
1 274 . 18 1 1 A 31 31 HIS CB C 31 28.607 30.206 -1.599 1
1 281 . 18 1 1 A 31 31 HIS C C 31 178.221 177.658 0.563 1
1 282 . 18 1 1 A 32 32 GLN N N 32 120.561 117.884 2.677 1
1 283 . 18 1 1 A 32 32 GLN H H 32 9.107 8.342 0.765 1
1 284 . 18 1 1 A 32 32 GLN CA C 32 59.849 58.461 1.388 1
1 285 . 18 1 1 A 32 32 GLN HA H 32 3.717 3.865 -0.148 1
1 286 . 18 1 1 A 32 32 GLN CB C 32 28.269 28.317 -0.048 1
1 295 . 18 1 1 A 32 32 GLN C C 32 177.933 177.372 0.561 1
1 296 . 18 1 1 A 33 33 ALA N N 33 120.580 121.255 -0.675 1
1 297 . 18 1 1 A 33 33 ALA H H 33 7.225 7.225 0.000 1
1 298 . 18 1 1 A 33 33 ALA CA C 33 54.275 53.074 1.201 1
1 299 . 18 1 1 A 33 33 ALA HA H 33 4.223 4.214 0.009 1
1 300 . 18 1 1 A 33 33 ALA CB C 33 18.072 17.866 0.206 1
1 304 . 18 1 1 A 33 33 ALA C C 33 179.277 178.023 1.254 1
1 305 . 18 1 1 A 34 34 THR N N 34 108.871 111.845 -2.974 1
1 306 . 18 1 1 A 34 34 THR H H 34 7.690 8.108 -0.418 1
1 307 . 18 1 1 A 34 34 THR CA C 34 63.808 63.949 -0.141 1
1 308 . 18 1 1 A 34 34 THR HA H 34 4.152 4.481 -0.329 1
1 309 . 18 1 1 A 34 34 THR CB C 34 69.413 70.911 -1.498 1
1 315 . 18 1 1 A 34 34 THR C C 34 175.831 174.742 1.089 1
1 316 . 18 1 1 A 35 35 HIS N N 35 118.845 119.484 -0.639 1
1 317 . 18 1 1 A 35 35 HIS H H 35 7.183 7.545 -0.362 1
1 318 . 18 1 1 A 35 35 HIS CA C 35 55.596 55.758 -0.162 1
1 319 . 18 1 1 A 35 35 HIS HA H 35 4.800 4.504 0.296 1
1 320 . 18 1 1 A 35 35 HIS CB C 35 28.675 29.390 -0.715 1
1 327 . 18 1 1 A 35 35 HIS C C 35 175.495 174.172 1.323 1
1 328 . 18 1 1 A 36 36 SER N N 36 115.119 120.337 -5.218 1
1 329 . 18 1 1 A 36 36 SER H H 36 7.871 8.824 -0.953 1
1 330 . 18 1 1 A 36 36 SER CA C 36 58.965 56.839 2.126 1
1 331 . 18 1 1 A 36 36 SER HA H 36 4.444 4.655 -0.211 1
1 332 . 18 1 1 A 36 36 SER CB C 36 63.882 63.936 -0.054 1
1 335 . 18 1 1 A 36 36 SER C C 36 175.070 173.533 1.537 1
1 336 . 18 1 1 A 37 37 GLY N N 37 110.906 113.763 -2.857 1
1 337 . 18 1 1 A 37 37 GLY H H 37 8.364 8.312 0.052 1
1 338 . 18 1 1 A 37 37 GLY CA C 37 45.222 46.177 -0.955 1
1 339 . 18 1 1 A 37 37 GLY HA2 H 37 3.977 4.137 -0.160 1
1 340 . 18 1 1 A 37 37 GLY HA3 H 37 3.901 4.149 -0.248 1
1 341 . 18 1 1 A 37 37 GLY C C 37 174.068 172.927 1.141 1
1 342 . 18 1 1 A 38 38 GLU N N 38 120.200 124.910 -4.710 1
1 343 . 18 1 1 A 38 38 GLU H H 38 8.198 8.364 -0.166 1
1 344 . 18 1 1 A 38 38 GLU CA C 38 56.989 55.587 1.402 1
1 345 . 18 1 1 A 38 38 GLU HA H 38 4.140 4.401 -0.261 1
1 346 . 18 1 1 A 38 38 GLU CB C 38 30.446 28.228 2.218 1
1 352 . 18 1 1 A 38 38 GLU C C 38 176.270 175.427 0.843 1
1 353 . 18 1 1 A 39 39 LYS N N 39 120.907 121.742 -0.835 1
1 354 . 18 1 1 A 39 39 LYS H H 39 8.233 7.632 0.601 1
1 355 . 18 1 1 A 39 39 LYS CA C 39 53.740 53.689 0.051 1
1 356 . 18 1 1 A 39 39 LYS HA H 39 4.464 4.761 -0.297 1
1 357 . 18 1 1 A 39 39 LYS CB C 39 33.224 33.120 0.104 1
1 369 . 18 1 1 A 39 39 LYS C C 39 173.830 173.143 0.687 1
1 370 . 18 1 1 A 40 40 PRO CA C 40 63.189 62.655 0.534 1
1 371 . 18 1 1 A 40 40 PRO HA H 40 4.462 4.554 -0.092 1
1 372 . 18 1 1 A 40 40 PRO CB C 40 32.177 32.364 -0.187 1
1 381 . 18 1 1 A 41 41 SER N N 41 116.632 115.524 1.108 1
1 382 . 18 1 1 A 41 41 SER H H 41 8.507 8.510 -0.003 1
1 383 . 18 1 1 A 41 41 SER CA C 41 58.580 58.198 0.382 1
1 384 . 18 1 1 A 41 41 SER HA H 41 4.502 4.582 -0.080 1
1 385 . 18 1 1 A 41 41 SER CB C 41 63.908 63.124 0.784 1
1 388 . 18 1 1 A 42 42 GLY N N 42 110.670 111.909 -1.239 1
1 389 . 18 1 1 A 42 42 GLY H H 42 8.222 8.196 0.026 1
1 390 . 18 1 1 A 42 42 GLY CA C 42 44.675 45.479 -0.804 1
1 391 . 18 1 1 A 42 42 GLY HA2 H 42 4.151 4.446 -0.295 1
1 392 . 18 1 1 A 42 42 GLY HA3 H 42 4.079 4.446 -0.367 1
1 393 . 18 1 1 A 43 43 PRO CA C 43 63.074 62.760 0.314 1
1 394 . 18 1 1 A 43 43 PRO HA H 43 4.462 4.592 -0.130 1
1 395 . 18 1 1 A 43 43 PRO CB C 43 32.165 31.667 0.498 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.936 63.703 -1.767 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.334 4.203 0.131 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.790 70.170 -0.380 1
1 9 . 19 1 1 A 9 9 GLY CA C 9 45.303 44.960 0.343 1
1 10 . 19 1 1 A 9 9 GLY HA2 H 9 3.975 4.092 -0.117 1
1 11 . 19 1 1 A 9 9 GLY HA3 H 9 3.975 4.093 -0.118 1
1 12 . 19 1 1 A 9 9 GLY C C 9 174.030 174.021 0.009 1
1 13 . 19 1 1 A 10 10 GLU N N 10 120.522 122.264 -1.742 1
1 14 . 19 1 1 A 10 10 GLU H H 10 8.138 8.883 -0.745 1
1 15 . 19 1 1 A 10 10 GLU CA C 10 56.348 56.160 0.188 1
1 16 . 19 1 1 A 10 10 GLU HA H 10 4.254 4.609 -0.355 1
1 17 . 19 1 1 A 10 10 GLU CB C 10 30.590 29.049 1.541 1
1 23 . 19 1 1 A 10 10 GLU C C 10 176.309 175.291 1.018 1
1 24 . 19 1 1 A 11 11 LYS N N 11 123.786 115.346 8.440 1
1 25 . 19 1 1 A 11 11 LYS H H 11 8.422 7.940 0.482 1
1 26 . 19 1 1 A 11 11 LYS CA C 11 54.092 56.793 -2.701 1
1 27 . 19 1 1 A 11 11 LYS HA H 11 4.614 3.994 0.620 1
1 28 . 19 1 1 A 11 11 LYS CB C 11 32.512 30.203 2.309 1
1 40 . 19 1 1 A 11 11 LYS C C 11 174.485 176.619 -2.134 1
1 41 . 19 1 1 A 12 12 PRO CA C 12 63.537 65.222 -1.685 1
1 42 . 19 1 1 A 12 12 PRO HA H 12 4.222 4.420 -0.198 1
1 43 . 19 1 1 A 12 12 PRO CB C 12 32.294 31.837 0.457 1
1 52 . 19 1 1 A 12 12 PRO C C 12 176.522 176.016 0.506 1
1 53 . 19 1 1 A 13 13 TYR N N 13 118.425 117.849 0.576 1
1 54 . 19 1 1 A 13 13 TYR H H 13 7.747 7.298 0.449 1
1 55 . 19 1 1 A 13 13 TYR CA C 13 57.492 56.948 0.544 1
1 56 . 19 1 1 A 13 13 TYR HA H 13 4.643 5.398 -0.755 1
1 57 . 19 1 1 A 13 13 TYR CB C 13 38.298 41.969 -3.671 1
1 68 . 19 1 1 A 13 13 TYR C C 13 174.436 174.700 -0.264 1
1 69 . 19 1 1 A 14 14 LYS N N 14 125.064 121.755 3.309 1
1 70 . 19 1 1 A 14 14 LYS H H 14 8.580 8.747 -0.167 1
1 71 . 19 1 1 A 14 14 LYS CA C 14 55.150 55.662 -0.512 1
1 72 . 19 1 1 A 14 14 LYS HA H 14 4.934 5.120 -0.186 1
1 73 . 19 1 1 A 14 14 LYS CB C 14 35.364 36.521 -1.157 1
1 85 . 19 1 1 A 14 14 LYS C C 14 175.164 174.419 0.745 1
1 86 . 19 1 1 A 15 15 CYS N N 15 126.356 124.943 1.413 1
1 87 . 19 1 1 A 15 15 CYS H H 15 9.216 9.459 -0.243 1
1 88 . 19 1 1 A 15 15 CYS CA C 15 59.505 58.613 0.892 1
1 89 . 19 1 1 A 15 15 CYS HA H 15 4.499 4.767 -0.268 1
1 90 . 19 1 1 A 15 15 CYS CB C 15 29.802 28.586 1.216 1
1 93 . 19 1 1 A 15 15 CYS C C 15 177.060 176.423 0.637 1
1 94 . 19 1 1 A 16 16 ASN N N 16 130.128 122.943 7.185 1
1 95 . 19 1 1 A 16 16 ASN H H 16 9.375 9.035 0.340 1
1 96 . 19 1 1 A 16 16 ASN CA C 16 55.567 53.117 2.450 1
1 97 . 19 1 1 A 16 16 ASN HA H 16 4.526 4.745 -0.219 1
1 98 . 19 1 1 A 16 16 ASN CB C 16 38.377 37.740 0.637 1
1 104 . 19 1 1 A 16 16 ASN C C 16 175.395 174.382 1.013 1
1 105 . 19 1 1 A 17 17 GLU N N 17 121.112 117.638 3.474 1
1 106 . 19 1 1 A 17 17 GLU H H 17 8.801 8.042 0.759 1
1 107 . 19 1 1 A 17 17 GLU CA C 17 58.384 57.421 0.963 1
1 108 . 19 1 1 A 17 17 GLU HA H 17 4.227 4.551 -0.324 1
1 109 . 19 1 1 A 17 17 GLU CB C 17 29.679 32.175 -2.496 1
1 115 . 19 1 1 A 17 17 GLU C C 17 177.104 177.897 -0.793 1
1 116 . 19 1 1 A 18 18 CYS N N 18 114.836 114.773 0.063 1
1 117 . 19 1 1 A 18 18 CYS H H 18 7.953 8.249 -0.296 1
1 118 . 19 1 1 A 18 18 CYS CA C 18 58.341 59.867 -1.526 1
1 119 . 19 1 1 A 18 18 CYS HA H 18 5.156 4.725 0.431 1
1 120 . 19 1 1 A 18 18 CYS CB C 18 32.523 29.847 2.676 1
1 123 . 19 1 1 A 18 18 CYS C C 18 176.223 175.362 0.861 1
1 124 . 19 1 1 A 19 19 GLY N N 19 113.235 109.825 3.410 1
1 125 . 19 1 1 A 19 19 GLY H H 19 8.138 8.098 0.040 1
1 126 . 19 1 1 A 19 19 GLY CA C 19 46.304 45.216 1.088 1
1 127 . 19 1 1 A 19 19 GLY HA2 H 19 3.785 4.084 -0.299 1
1 128 . 19 1 1 A 19 19 GLY HA3 H 19 4.241 4.101 0.140 1
1 129 . 19 1 1 A 19 19 GLY C C 19 173.712 174.372 -0.660 1
1 130 . 19 1 1 A 20 20 LYS N N 20 123.349 121.307 2.042 1
1 131 . 19 1 1 A 20 20 LYS H H 20 8.040 7.749 0.291 1
1 132 . 19 1 1 A 20 20 LYS CA C 20 58.424 55.025 3.399 1
1 133 . 19 1 1 A 20 20 LYS HA H 20 3.919 4.585 -0.666 1
1 134 . 19 1 1 A 20 20 LYS CB C 20 33.699 34.268 -0.569 1
1 146 . 19 1 1 A 20 20 LYS C C 20 173.678 175.052 -1.374 1
1 147 . 19 1 1 A 21 21 ALA N N 21 124.050 127.185 -3.135 1
1 148 . 19 1 1 A 21 21 ALA H H 21 7.783 8.551 -0.768 1
1 149 . 19 1 1 A 21 21 ALA CA C 21 50.427 50.727 -0.300 1
1 150 . 19 1 1 A 21 21 ALA HA H 21 5.135 5.455 -0.320 1
1 151 . 19 1 1 A 21 21 ALA CB C 21 22.453 21.894 0.559 1
1 155 . 19 1 1 A 21 21 ALA C C 21 176.113 175.827 0.286 1
1 156 . 19 1 1 A 22 22 PHE N N 22 116.580 120.893 -4.313 1
1 157 . 19 1 1 A 22 22 PHE H H 22 8.754 9.378 -0.624 1
1 158 . 19 1 1 A 22 22 PHE CA C 22 57.200 57.328 -0.128 1
1 159 . 19 1 1 A 22 22 PHE HA H 22 4.695 4.978 -0.283 1
1 160 . 19 1 1 A 22 22 PHE CB C 22 44.007 42.130 1.877 1
1 173 . 19 1 1 A 22 22 PHE C C 22 175.166 176.780 -1.614 1
1 174 . 19 1 1 A 23 23 ARG N N 23 120.122 119.194 0.928 1
1 175 . 19 1 1 A 23 23 ARG H H 23 9.062 8.807 0.255 1
1 176 . 19 1 1 A 23 23 ARG CA C 23 57.935 57.503 0.432 1
1 177 . 19 1 1 A 23 23 ARG HA H 23 4.503 4.512 -0.009 1
1 178 . 19 1 1 A 23 23 ARG CB C 23 31.133 31.439 -0.306 1
1 187 . 19 1 1 A 23 23 ARG C C 23 175.314 176.754 -1.440 1
1 188 . 19 1 1 A 24 24 ALA N N 24 118.433 120.116 -1.683 1
1 189 . 19 1 1 A 24 24 ALA H H 24 7.636 7.777 -0.141 1
1 190 . 19 1 1 A 24 24 ALA CA C 24 50.400 50.399 0.001 1
1 191 . 19 1 1 A 24 24 ALA HA H 24 4.860 4.698 0.162 1
1 192 . 19 1 1 A 24 24 ALA CB C 24 21.958 21.883 0.075 1
1 196 . 19 1 1 A 24 24 ALA C C 24 176.866 176.864 0.002 1
1 197 . 19 1 1 A 25 25 ARG N N 25 124.787 119.733 5.054 1
1 198 . 19 1 1 A 25 25 ARG H H 25 8.490 8.401 0.089 1
1 199 . 19 1 1 A 25 25 ARG CA C 25 59.298 59.060 0.238 1
1 200 . 19 1 1 A 25 25 ARG HA H 25 3.125 3.026 0.099 1
1 201 . 19 1 1 A 25 25 ARG CB C 25 29.270 29.962 -0.692 1
1 210 . 19 1 1 A 25 25 ARG C C 25 178.954 177.463 1.491 1
1 211 . 19 1 1 A 26 26 SER CA C 26 60.587 61.199 -0.612 1
1 212 . 19 1 1 A 26 26 SER HA H 26 4.057 4.221 -0.164 1
1 213 . 19 1 1 A 26 26 SER CB C 26 61.336 62.456 -1.120 1
1 216 . 19 1 1 A 26 26 SER C C 26 177.007 176.791 0.216 1
1 217 . 19 1 1 A 27 27 SER N N 27 117.278 117.530 -0.252 1
1 218 . 19 1 1 A 27 27 SER H H 27 6.825 7.772 -0.947 1
1 219 . 19 1 1 A 27 27 SER CA C 27 60.701 61.300 -0.599 1
1 220 . 19 1 1 A 27 27 SER HA H 27 4.167 4.209 -0.042 1
1 221 . 19 1 1 A 27 27 SER CB C 27 62.349 63.002 -0.653 1
1 224 . 19 1 1 A 27 27 SER C C 27 176.462 176.813 -0.351 1
1 225 . 19 1 1 A 28 28 LEU N N 28 123.661 122.891 0.770 1
1 226 . 19 1 1 A 28 28 LEU H H 28 7.171 8.055 -0.884 1
1 227 . 19 1 1 A 28 28 LEU CA C 28 57.758 56.808 0.950 1
1 228 . 19 1 1 A 28 28 LEU HA H 28 3.179 2.169 1.010 1
1 229 . 19 1 1 A 28 28 LEU CB C 28 40.196 41.040 -0.844 1
1 242 . 19 1 1 A 28 28 LEU C C 28 177.102 178.033 -0.931 1
1 243 . 19 1 1 A 29 29 ALA N N 29 121.695 120.950 0.745 1
1 244 . 19 1 1 A 29 29 ALA H H 29 7.996 7.923 0.073 1
1 245 . 19 1 1 A 29 29 ALA CA C 29 55.373 55.308 0.065 1
1 246 . 19 1 1 A 29 29 ALA HA H 29 4.175 3.978 0.197 1
1 247 . 19 1 1 A 29 29 ALA CB C 29 17.751 18.487 -0.736 1
1 251 . 19 1 1 A 29 29 ALA C C 29 181.065 179.936 1.129 1
1 252 . 19 1 1 A 30 30 ILE N N 30 118.797 117.705 1.092 1
1 253 . 19 1 1 A 30 30 ILE H H 30 7.480 7.563 -0.083 1
1 254 . 19 1 1 A 30 30 ILE CA C 30 64.334 65.034 -0.700 1
1 255 . 19 1 1 A 30 30 ILE HA H 30 3.698 3.765 -0.067 1
1 256 . 19 1 1 A 30 30 ILE CB C 30 38.471 37.801 0.670 1
1 269 . 19 1 1 A 30 30 ILE C C 30 178.562 178.393 0.169 1
1 270 . 19 1 1 A 31 31 HIS N N 31 118.999 119.925 -0.926 1
1 271 . 19 1 1 A 31 31 HIS H H 31 7.443 8.214 -0.771 1
1 272 . 19 1 1 A 31 31 HIS CA C 31 59.207 60.005 -0.798 1
1 273 . 19 1 1 A 31 31 HIS HA H 31 4.235 4.282 -0.047 1
1 274 . 19 1 1 A 31 31 HIS CB C 31 28.607 30.140 -1.533 1
1 281 . 19 1 1 A 31 31 HIS C C 31 178.221 177.455 0.766 1
1 282 . 19 1 1 A 32 32 GLN N N 32 120.561 117.596 2.965 1
1 283 . 19 1 1 A 32 32 GLN H H 32 9.107 8.190 0.917 1
1 284 . 19 1 1 A 32 32 GLN CA C 32 59.849 58.614 1.235 1
1 285 . 19 1 1 A 32 32 GLN HA H 32 3.717 3.742 -0.025 1
1 286 . 19 1 1 A 32 32 GLN CB C 32 28.269 28.175 0.094 1
1 295 . 19 1 1 A 32 32 GLN C C 32 177.933 177.203 0.730 1
1 296 . 19 1 1 A 33 33 ALA N N 33 120.580 121.098 -0.518 1
1 297 . 19 1 1 A 33 33 ALA H H 33 7.225 7.226 -0.001 1
1 298 . 19 1 1 A 33 33 ALA CA C 33 54.275 52.912 1.363 1
1 299 . 19 1 1 A 33 33 ALA HA H 33 4.223 4.255 -0.032 1
1 300 . 19 1 1 A 33 33 ALA CB C 33 18.072 17.935 0.137 1
1 304 . 19 1 1 A 33 33 ALA C C 33 179.277 177.970 1.307 1
1 305 . 19 1 1 A 34 34 THR N N 34 108.871 108.283 0.588 1
1 306 . 19 1 1 A 34 34 THR H H 34 7.690 7.794 -0.104 1
1 307 . 19 1 1 A 34 34 THR CA C 34 63.808 62.532 1.276 1
1 308 . 19 1 1 A 34 34 THR HA H 34 4.152 4.509 -0.357 1
1 309 . 19 1 1 A 34 34 THR CB C 34 69.413 69.931 -0.518 1
1 315 . 19 1 1 A 34 34 THR C C 34 175.831 176.051 -0.220 1
1 316 . 19 1 1 A 35 35 HIS N N 35 118.845 120.083 -1.238 1
1 317 . 19 1 1 A 35 35 HIS H H 35 7.183 8.096 -0.913 1
1 318 . 19 1 1 A 35 35 HIS CA C 35 55.596 59.872 -4.276 1
1 319 . 19 1 1 A 35 35 HIS HA H 35 4.800 4.296 0.504 1
1 320 . 19 1 1 A 35 35 HIS CB C 35 28.675 29.657 -0.982 1
1 327 . 19 1 1 A 35 35 HIS C C 35 175.495 177.693 -2.198 1
1 328 . 19 1 1 A 36 36 SER N N 36 115.119 115.007 0.112 1
1 329 . 19 1 1 A 36 36 SER H H 36 7.871 8.274 -0.403 1
1 330 . 19 1 1 A 36 36 SER CA C 36 58.965 61.560 -2.595 1
1 331 . 19 1 1 A 36 36 SER HA H 36 4.444 4.207 0.237 1
1 332 . 19 1 1 A 36 36 SER CB C 36 63.882 62.807 1.075 1
1 335 . 19 1 1 A 36 36 SER C C 36 175.070 175.331 -0.261 1
1 336 . 19 1 1 A 37 37 GLY N N 37 110.906 108.069 2.837 1
1 337 . 19 1 1 A 37 37 GLY H H 37 8.364 7.845 0.519 1
1 338 . 19 1 1 A 37 37 GLY CA C 37 45.222 45.150 0.072 1
1 339 . 19 1 1 A 37 37 GLY HA2 H 37 3.977 3.986 -0.009 1
1 340 . 19 1 1 A 37 37 GLY HA3 H 37 3.901 3.991 -0.090 1
1 341 . 19 1 1 A 37 37 GLY C C 37 174.068 172.905 1.163 1
1 342 . 19 1 1 A 38 38 GLU N N 38 120.200 124.846 -4.646 1
1 343 . 19 1 1 A 38 38 GLU H H 38 8.198 8.686 -0.488 1
1 344 . 19 1 1 A 38 38 GLU CA C 38 56.989 56.858 0.131 1
1 345 . 19 1 1 A 38 38 GLU HA H 38 4.140 4.367 -0.227 1
1 346 . 19 1 1 A 38 38 GLU CB C 38 30.446 29.654 0.792 1
1 352 . 19 1 1 A 38 38 GLU C C 38 176.270 176.248 0.022 1
1 353 . 19 1 1 A 39 39 LYS N N 39 120.907 121.587 -0.680 1
1 354 . 19 1 1 A 39 39 LYS H H 39 8.233 8.034 0.199 1
1 355 . 19 1 1 A 39 39 LYS CA C 39 53.740 53.329 0.411 1
1 356 . 19 1 1 A 39 39 LYS HA H 39 4.464 4.751 -0.287 1
1 357 . 19 1 1 A 39 39 LYS CB C 39 33.224 32.525 0.699 1
1 369 . 19 1 1 A 39 39 LYS C C 39 173.830 176.293 -2.463 1
1 370 . 19 1 1 A 40 40 PRO CA C 40 63.189 63.826 -0.637 1
1 371 . 19 1 1 A 40 40 PRO HA H 40 4.462 4.568 -0.106 1
1 372 . 19 1 1 A 40 40 PRO CB C 40 32.177 31.995 0.182 1
1 381 . 19 1 1 A 41 41 SER N N 41 116.632 115.941 0.691 1
1 382 . 19 1 1 A 41 41 SER H H 41 8.507 7.817 0.690 1
1 383 . 19 1 1 A 41 41 SER CA C 41 58.580 60.644 -2.064 1
1 384 . 19 1 1 A 41 41 SER HA H 41 4.502 4.234 0.268 1
1 385 . 19 1 1 A 41 41 SER CB C 41 63.908 63.023 0.885 1
1 388 . 19 1 1 A 42 42 GLY N N 42 110.670 112.215 -1.545 1
1 389 . 19 1 1 A 42 42 GLY H H 42 8.222 8.314 -0.092 1
1 390 . 19 1 1 A 42 42 GLY CA C 42 44.675 45.611 -0.936 1
1 391 . 19 1 1 A 42 42 GLY HA2 H 42 4.151 4.200 -0.049 1
1 392 . 19 1 1 A 42 42 GLY HA3 H 42 4.079 4.202 -0.123 1
1 393 . 19 1 1 A 43 43 PRO CA C 43 63.074 64.718 -1.644 1
1 394 . 19 1 1 A 43 43 PRO HA H 43 4.462 4.447 0.015 1
1 395 . 19 1 1 A 43 43 PRO CB C 43 32.165 32.140 0.025 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.936 65.399 -3.463 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.334 4.190 0.144 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.790 69.438 0.352 1
1 9 . 20 1 1 A 9 9 GLY CA C 9 45.303 46.912 -1.609 1
1 10 . 20 1 1 A 9 9 GLY HA2 H 9 3.975 3.892 0.083 1
1 11 . 20 1 1 A 9 9 GLY HA3 H 9 3.975 3.895 0.080 1
1 12 . 20 1 1 A 9 9 GLY C C 9 174.030 173.766 0.264 1
1 13 . 20 1 1 A 10 10 GLU N N 10 120.522 120.403 0.119 1
1 14 . 20 1 1 A 10 10 GLU H H 10 8.138 7.941 0.197 1
1 15 . 20 1 1 A 10 10 GLU CA C 10 56.348 55.105 1.243 1
1 16 . 20 1 1 A 10 10 GLU HA H 10 4.254 4.979 -0.725 1
1 17 . 20 1 1 A 10 10 GLU CB C 10 30.590 32.858 -2.268 1
1 23 . 20 1 1 A 10 10 GLU C C 10 176.309 174.686 1.623 1
1 24 . 20 1 1 A 11 11 LYS N N 11 123.786 126.011 -2.225 1
1 25 . 20 1 1 A 11 11 LYS H H 11 8.422 8.660 -0.238 1
1 26 . 20 1 1 A 11 11 LYS CA C 11 54.092 53.373 0.719 1
1 27 . 20 1 1 A 11 11 LYS HA H 11 4.614 4.801 -0.187 1
1 28 . 20 1 1 A 11 11 LYS CB C 11 32.512 33.435 -0.923 1
1 40 . 20 1 1 A 11 11 LYS C C 11 174.485 176.408 -1.923 1
1 41 . 20 1 1 A 12 12 PRO CA C 12 63.537 64.862 -1.325 1
1 42 . 20 1 1 A 12 12 PRO HA H 12 4.222 4.336 -0.114 1
1 43 . 20 1 1 A 12 12 PRO CB C 12 32.294 32.107 0.187 1
1 52 . 20 1 1 A 12 12 PRO C C 12 176.522 175.883 0.639 1
1 53 . 20 1 1 A 13 13 TYR N N 13 118.425 118.438 -0.013 1
1 54 . 20 1 1 A 13 13 TYR H H 13 7.747 7.307 0.440 1
1 55 . 20 1 1 A 13 13 TYR CA C 13 57.492 57.392 0.100 1
1 56 . 20 1 1 A 13 13 TYR HA H 13 4.643 5.179 -0.536 1
1 57 . 20 1 1 A 13 13 TYR CB C 13 38.298 41.198 -2.900 1
1 68 . 20 1 1 A 13 13 TYR C C 13 174.436 174.967 -0.531 1
1 69 . 20 1 1 A 14 14 LYS N N 14 125.064 121.384 3.680 1
1 70 . 20 1 1 A 14 14 LYS H H 14 8.580 8.920 -0.340 1
1 71 . 20 1 1 A 14 14 LYS CA C 14 55.150 54.189 0.961 1
1 72 . 20 1 1 A 14 14 LYS HA H 14 4.934 5.530 -0.596 1
1 73 . 20 1 1 A 14 14 LYS CB C 14 35.364 36.538 -1.174 1
1 85 . 20 1 1 A 14 14 LYS C C 14 175.164 175.325 -0.161 1
1 86 . 20 1 1 A 15 15 CYS N N 15 126.356 122.779 3.577 1
1 87 . 20 1 1 A 15 15 CYS H H 15 9.216 8.863 0.353 1
1 88 . 20 1 1 A 15 15 CYS CA C 15 59.505 58.443 1.062 1
1 89 . 20 1 1 A 15 15 CYS HA H 15 4.499 4.679 -0.180 1
1 90 . 20 1 1 A 15 15 CYS CB C 15 29.802 27.654 2.148 1
1 93 . 20 1 1 A 15 15 CYS C C 15 177.060 175.761 1.299 1
1 94 . 20 1 1 A 16 16 ASN N N 16 130.128 126.179 3.949 1
1 95 . 20 1 1 A 16 16 ASN H H 16 9.375 8.995 0.380 1
1 96 . 20 1 1 A 16 16 ASN CA C 16 55.567 55.198 0.369 1
1 97 . 20 1 1 A 16 16 ASN HA H 16 4.526 4.425 0.101 1
1 98 . 20 1 1 A 16 16 ASN CB C 16 38.377 38.615 -0.238 1
1 104 . 20 1 1 A 16 16 ASN C C 16 175.395 176.751 -1.356 1
1 105 . 20 1 1 A 17 17 GLU N N 17 121.112 118.008 3.104 1
1 106 . 20 1 1 A 17 17 GLU H H 17 8.801 7.960 0.841 1
1 107 . 20 1 1 A 17 17 GLU CA C 17 58.384 58.880 -0.496 1
1 108 . 20 1 1 A 17 17 GLU HA H 17 4.227 4.055 0.172 1
1 109 . 20 1 1 A 17 17 GLU CB C 17 29.679 30.026 -0.347 1
1 115 . 20 1 1 A 17 17 GLU C C 17 177.104 178.036 -0.932 1
1 116 . 20 1 1 A 18 18 CYS N N 18 114.836 115.086 -0.250 1
1 117 . 20 1 1 A 18 18 CYS H H 18 7.953 8.227 -0.274 1
1 118 . 20 1 1 A 18 18 CYS CA C 18 58.341 59.616 -1.275 1
1 119 . 20 1 1 A 18 18 CYS HA H 18 5.156 4.710 0.446 1
1 120 . 20 1 1 A 18 18 CYS CB C 18 32.523 30.038 2.485 1
1 123 . 20 1 1 A 18 18 CYS C C 18 176.223 175.511 0.712 1
1 124 . 20 1 1 A 19 19 GLY N N 19 113.235 110.102 3.133 1
1 125 . 20 1 1 A 19 19 GLY H H 19 8.138 8.165 -0.027 1
1 126 . 20 1 1 A 19 19 GLY CA C 19 46.304 45.028 1.276 1
1 127 . 20 1 1 A 19 19 GLY HA2 H 19 3.785 4.093 -0.308 1
1 128 . 20 1 1 A 19 19 GLY HA3 H 19 4.241 4.111 0.130 1
1 129 . 20 1 1 A 19 19 GLY C C 19 173.712 174.583 -0.871 1
1 130 . 20 1 1 A 20 20 LYS N N 20 123.349 120.699 2.650 1
1 131 . 20 1 1 A 20 20 LYS H H 20 8.040 7.506 0.534 1
1 132 . 20 1 1 A 20 20 LYS CA C 20 58.424 56.693 1.731 1
1 133 . 20 1 1 A 20 20 LYS HA H 20 3.919 4.220 -0.301 1
1 134 . 20 1 1 A 20 20 LYS CB C 20 33.699 33.825 -0.126 1
1 146 . 20 1 1 A 20 20 LYS C C 20 173.678 174.931 -1.253 1
1 147 . 20 1 1 A 21 21 ALA N N 21 124.050 120.871 3.179 1
1 148 . 20 1 1 A 21 21 ALA H H 21 7.783 8.021 -0.238 1
1 149 . 20 1 1 A 21 21 ALA CA C 21 50.427 51.172 -0.745 1
1 150 . 20 1 1 A 21 21 ALA HA H 21 5.135 5.522 -0.387 1
1 151 . 20 1 1 A 21 21 ALA CB C 21 22.453 21.858 0.595 1
1 155 . 20 1 1 A 21 21 ALA C C 21 176.113 175.207 0.906 1
1 156 . 20 1 1 A 22 22 PHE N N 22 116.580 119.852 -3.272 1
1 157 . 20 1 1 A 22 22 PHE H H 22 8.754 9.499 -0.745 1
1 158 . 20 1 1 A 22 22 PHE CA C 22 57.200 56.142 1.058 1
1 159 . 20 1 1 A 22 22 PHE HA H 22 4.695 4.915 -0.220 1
1 160 . 20 1 1 A 22 22 PHE CB C 22 44.007 42.458 1.549 1
1 173 . 20 1 1 A 22 22 PHE C C 22 175.166 176.418 -1.252 1
1 174 . 20 1 1 A 23 23 ARG N N 23 120.122 122.046 -1.924 1
1 175 . 20 1 1 A 23 23 ARG H H 23 9.062 8.674 0.388 1
1 176 . 20 1 1 A 23 23 ARG CA C 23 57.935 58.878 -0.943 1
1 177 . 20 1 1 A 23 23 ARG HA H 23 4.503 4.222 0.281 1
1 178 . 20 1 1 A 23 23 ARG CB C 23 31.133 29.957 1.176 1
1 187 . 20 1 1 A 23 23 ARG C C 23 175.314 176.296 -0.982 1
1 188 . 20 1 1 A 24 24 ALA N N 24 118.433 119.557 -1.124 1
1 189 . 20 1 1 A 24 24 ALA H H 24 7.636 7.792 -0.156 1
1 190 . 20 1 1 A 24 24 ALA CA C 24 50.400 50.628 -0.228 1
1 191 . 20 1 1 A 24 24 ALA HA H 24 4.860 4.843 0.017 1
1 192 . 20 1 1 A 24 24 ALA CB C 24 21.958 21.419 0.539 1
1 196 . 20 1 1 A 24 24 ALA C C 24 176.866 177.283 -0.417 1
1 197 . 20 1 1 A 25 25 ARG N N 25 124.787 119.188 5.599 1
1 198 . 20 1 1 A 25 25 ARG H H 25 8.490 8.830 -0.340 1
1 199 . 20 1 1 A 25 25 ARG CA C 25 59.298 59.705 -0.407 1
1 200 . 20 1 1 A 25 25 ARG HA H 25 3.125 3.387 -0.262 1
1 201 . 20 1 1 A 25 25 ARG CB C 25 29.270 29.992 -0.722 1
1 210 . 20 1 1 A 25 25 ARG C C 25 178.954 178.170 0.784 1
1 211 . 20 1 1 A 26 26 SER CA C 26 60.587 61.702 -1.115 1
1 212 . 20 1 1 A 26 26 SER HA H 26 4.057 4.059 -0.002 1
1 213 . 20 1 1 A 26 26 SER CB C 26 61.336 62.739 -1.403 1
1 216 . 20 1 1 A 26 26 SER C C 26 177.007 176.934 0.073 1
1 217 . 20 1 1 A 27 27 SER N N 27 117.278 117.409 -0.131 1
1 218 . 20 1 1 A 27 27 SER H H 27 6.825 7.976 -1.151 1
1 219 . 20 1 1 A 27 27 SER CA C 27 60.701 62.075 -1.374 1
1 220 . 20 1 1 A 27 27 SER HA H 27 4.167 4.213 -0.046 1
1 221 . 20 1 1 A 27 27 SER CB C 27 62.349 63.033 -0.684 1
1 224 . 20 1 1 A 27 27 SER C C 27 176.462 176.151 0.311 1
1 225 . 20 1 1 A 28 28 LEU N N 28 123.661 122.193 1.468 1
1 226 . 20 1 1 A 28 28 LEU H H 28 7.171 8.135 -0.964 1
1 227 . 20 1 1 A 28 28 LEU CA C 28 57.758 56.761 0.997 1
1 228 . 20 1 1 A 28 28 LEU HA H 28 3.179 1.684 1.495 1
1 229 . 20 1 1 A 28 28 LEU CB C 28 40.196 41.059 -0.863 1
1 242 . 20 1 1 A 28 28 LEU C C 28 177.102 177.898 -0.796 1
1 243 . 20 1 1 A 29 29 ALA N N 29 121.695 120.743 0.952 1
1 244 . 20 1 1 A 29 29 ALA H H 29 7.996 8.443 -0.447 1
1 245 . 20 1 1 A 29 29 ALA CA C 29 55.373 55.312 0.061 1
1 246 . 20 1 1 A 29 29 ALA HA H 29 4.175 3.977 0.198 1
1 247 . 20 1 1 A 29 29 ALA CB C 29 17.751 18.269 -0.518 1
1 251 . 20 1 1 A 29 29 ALA C C 29 181.065 179.809 1.256 1
1 252 . 20 1 1 A 30 30 ILE N N 30 118.797 117.684 1.113 1
1 253 . 20 1 1 A 30 30 ILE H H 30 7.480 7.762 -0.282 1
1 254 . 20 1 1 A 30 30 ILE CA C 30 64.334 64.858 -0.524 1
1 255 . 20 1 1 A 30 30 ILE HA H 30 3.698 3.767 -0.069 1
1 256 . 20 1 1 A 30 30 ILE CB C 30 38.471 37.754 0.717 1
1 269 . 20 1 1 A 30 30 ILE C C 30 178.562 178.548 0.014 1
1 270 . 20 1 1 A 31 31 HIS N N 31 118.999 120.061 -1.062 1
1 271 . 20 1 1 A 31 31 HIS H H 31 7.443 8.002 -0.559 1
1 272 . 20 1 1 A 31 31 HIS CA C 31 59.207 59.542 -0.335 1
1 273 . 20 1 1 A 31 31 HIS HA H 31 4.235 4.292 -0.057 1
1 274 . 20 1 1 A 31 31 HIS CB C 31 28.607 30.163 -1.556 1
1 281 . 20 1 1 A 31 31 HIS C C 31 178.221 177.508 0.713 1
1 282 . 20 1 1 A 32 32 GLN N N 32 120.561 117.848 2.713 1
1 283 . 20 1 1 A 32 32 GLN H H 32 9.107 8.263 0.844 1
1 284 . 20 1 1 A 32 32 GLN CA C 32 59.849 58.597 1.252 1
1 285 . 20 1 1 A 32 32 GLN HA H 32 3.717 3.877 -0.160 1
1 286 . 20 1 1 A 32 32 GLN CB C 32 28.269 28.191 0.078 1
1 295 . 20 1 1 A 32 32 GLN C C 32 177.933 177.454 0.479 1
1 296 . 20 1 1 A 33 33 ALA N N 33 120.580 121.251 -0.671 1
1 297 . 20 1 1 A 33 33 ALA H H 33 7.225 7.329 -0.104 1
1 298 . 20 1 1 A 33 33 ALA CA C 33 54.275 53.345 0.930 1
1 299 . 20 1 1 A 33 33 ALA HA H 33 4.223 4.168 0.055 1
1 300 . 20 1 1 A 33 33 ALA CB C 33 18.072 18.016 0.056 1
1 304 . 20 1 1 A 33 33 ALA C C 33 179.277 178.108 1.169 1
1 305 . 20 1 1 A 34 34 THR N N 34 108.871 107.813 1.058 1
1 306 . 20 1 1 A 34 34 THR H H 34 7.690 7.815 -0.125 1
1 307 . 20 1 1 A 34 34 THR CA C 34 63.808 62.560 1.248 1
1 308 . 20 1 1 A 34 34 THR HA H 34 4.152 4.419 -0.267 1
1 309 . 20 1 1 A 34 34 THR CB C 34 69.413 69.802 -0.389 1
1 315 . 20 1 1 A 34 34 THR C C 34 175.831 174.712 1.119 1
1 316 . 20 1 1 A 35 35 HIS N N 35 118.845 122.017 -3.172 1
1 317 . 20 1 1 A 35 35 HIS H H 35 7.183 7.518 -0.335 1
1 318 . 20 1 1 A 35 35 HIS CA C 35 55.596 55.150 0.446 1
1 319 . 20 1 1 A 35 35 HIS HA H 35 4.800 4.499 0.301 1
1 320 . 20 1 1 A 35 35 HIS CB C 35 28.675 27.645 1.030 1
1 327 . 20 1 1 A 35 35 HIS C C 35 175.495 174.206 1.289 1
1 328 . 20 1 1 A 36 36 SER N N 36 115.119 118.134 -3.015 1
1 329 . 20 1 1 A 36 36 SER H H 36 7.871 8.665 -0.794 1
1 330 . 20 1 1 A 36 36 SER CA C 36 58.965 57.854 1.111 1
1 331 . 20 1 1 A 36 36 SER HA H 36 4.444 4.882 -0.438 1
1 332 . 20 1 1 A 36 36 SER CB C 36 63.882 66.384 -2.502 1
1 335 . 20 1 1 A 36 36 SER C C 36 175.070 174.337 0.733 1
1 336 . 20 1 1 A 37 37 GLY N N 37 110.906 113.560 -2.654 1
1 337 . 20 1 1 A 37 37 GLY H H 37 8.364 8.312 0.052 1
1 338 . 20 1 1 A 37 37 GLY CA C 37 45.222 45.325 -0.103 1
1 339 . 20 1 1 A 37 37 GLY HA2 H 37 3.977 3.989 -0.012 1
1 340 . 20 1 1 A 37 37 GLY HA3 H 37 3.901 3.990 -0.089 1
1 341 . 20 1 1 A 37 37 GLY C C 37 174.068 174.743 -0.675 1
1 342 . 20 1 1 A 38 38 GLU N N 38 120.200 120.957 -0.757 1
1 343 . 20 1 1 A 38 38 GLU H H 38 8.198 7.969 0.229 1
1 344 . 20 1 1 A 38 38 GLU CA C 38 56.989 56.054 0.935 1
1 345 . 20 1 1 A 38 38 GLU HA H 38 4.140 4.437 -0.297 1
1 346 . 20 1 1 A 38 38 GLU CB C 38 30.446 30.853 -0.407 1
1 352 . 20 1 1 A 38 38 GLU C C 38 176.270 176.045 0.225 1
1 353 . 20 1 1 A 39 39 LYS N N 39 120.907 124.017 -3.110 1
1 354 . 20 1 1 A 39 39 LYS H H 39 8.233 8.412 -0.179 1
1 355 . 20 1 1 A 39 39 LYS CA C 39 53.740 53.926 -0.186 1
1 356 . 20 1 1 A 39 39 LYS HA H 39 4.464 5.085 -0.621 1
1 357 . 20 1 1 A 39 39 LYS CB C 39 33.224 33.377 -0.153 1
1 369 . 20 1 1 A 39 39 LYS C C 39 173.830 173.550 0.280 1
1 370 . 20 1 1 A 40 40 PRO CA C 40 63.189 62.316 0.873 1
1 371 . 20 1 1 A 40 40 PRO HA H 40 4.462 4.588 -0.126 1
1 372 . 20 1 1 A 40 40 PRO CB C 40 32.177 32.869 -0.692 1
1 381 . 20 1 1 A 41 41 SER N N 41 116.632 117.192 -0.560 1
1 382 . 20 1 1 A 41 41 SER H H 41 8.507 8.506 0.001 1
1 383 . 20 1 1 A 41 41 SER CA C 41 58.580 59.797 -1.217 1
1 384 . 20 1 1 A 41 41 SER HA H 41 4.502 4.205 0.297 1
1 385 . 20 1 1 A 41 41 SER CB C 41 63.908 62.792 1.116 1
1 388 . 20 1 1 A 42 42 GLY N N 42 110.670 113.975 -3.305 1
1 389 . 20 1 1 A 42 42 GLY H H 42 8.222 8.519 -0.297 1
1 390 . 20 1 1 A 42 42 GLY CA C 42 44.675 45.517 -0.842 1
1 391 . 20 1 1 A 42 42 GLY HA2 H 42 4.151 4.208 -0.057 1
1 392 . 20 1 1 A 42 42 GLY HA3 H 42 4.079 4.210 -0.131 1
1 393 . 20 1 1 A 43 43 PRO CA C 43 63.074 62.640 0.434 1
1 394 . 20 1 1 A 43 43 PRO HA H 43 4.462 4.693 -0.231 1
1 395 . 20 1 1 A 43 43 PRO CB C 43 32.165 33.155 -0.990 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 31 0.969 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.396 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.290 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.456 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.327 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.646 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.968 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.343 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.293 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.602 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.281 1
12 1 2 1 "RMS(OBS, PRED)" N 30 3.193 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.823 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.279 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.535 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.427 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.364 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.547 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.799 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.409 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.500 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.546 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.332 1
24 1 4 1 "RMS(OBS, PRED)" N 30 3.446 1
25 1 5 1 "RMS(OBS, PRED)" C 31 0.870 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.281 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.412 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.548 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.290 1
30 1 5 1 "RMS(OBS, PRED)" N 30 3.340 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.901 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.134 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.111 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.467 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.384 1
36 1 6 1 "RMS(OBS, PRED)" N 30 3.173 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.938 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.354 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.570 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.476 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.390 1
42 1 7 1 "RMS(OBS, PRED)" N 30 3.225 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.999 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.252 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.407 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.544 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.331 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.922 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.854 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.182 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.349 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.461 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.301 1
54 1 9 1 "RMS(OBS, PRED)" N 30 3.142 1
55 1 10 1 "RMS(OBS, PRED)" C 31 0.935 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.289 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.414 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.452 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.308 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.961 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.992 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.193 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.265 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.494 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.303 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.870 1
67 1 12 1 "RMS(OBS, PRED)" C 31 1.098 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.221 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.422 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.522 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.326 1
72 1 12 1 "RMS(OBS, PRED)" N 30 3.291 1
73 1 13 1 "RMS(OBS, PRED)" C 31 1.104 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.324 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.307 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.538 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.257 1
78 1 13 1 "RMS(OBS, PRED)" N 30 3.088 1
79 1 14 1 "RMS(OBS, PRED)" C 31 1.076 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.230 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.291 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.491 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.292 1
84 1 14 1 "RMS(OBS, PRED)" N 30 3.292 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.919 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.168 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.186 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.537 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.322 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.779 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.922 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.335 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.627 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.477 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.375 1
96 1 16 1 "RMS(OBS, PRED)" N 30 3.141 1
97 1 17 1 "RMS(OBS, PRED)" C 31 1.060 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.206 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.622 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.462 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.322 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.794 1
103 1 18 1 "RMS(OBS, PRED)" C 31 1.024 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.169 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.380 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.517 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.340 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.793 1
109 1 19 1 "RMS(OBS, PRED)" C 31 1.097 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.496 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.307 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.531 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.326 1
114 1 19 1 "RMS(OBS, PRED)" N 30 3.062 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.948 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.120 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.253 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.496 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.372 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.577 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 8 8 THR CA C 8 61.936 62.109 -0.173 2
1 2 . 1 1 A 8 8 THR HA H 8 4.334 4.449 -0.115 2
1 3 . 1 1 A 8 8 THR CB C 8 69.790 69.733 0.057 2
1 9 . 1 1 A 9 9 GLY CA C 9 45.303 45.511 -0.208 2
1 10 . 1 1 A 9 9 GLY HA2 H 9 3.975 4.070 -0.095 2
1 11 . 1 1 A 9 9 GLY HA3 H 9 3.975 4.072 -0.097 2
1 12 . 1 1 A 9 9 GLY C C 9 174.030 173.550 0.480 2
1 13 . 1 1 A 10 10 GLU N N 10 120.522 120.574 -0.052 2
1 14 . 1 1 A 10 10 GLU H H 10 8.138 8.442 -0.304 2
1 15 . 1 1 A 10 10 GLU CA C 10 56.348 55.486 0.861 2
1 16 . 1 1 A 10 10 GLU HA H 10 4.254 4.731 -0.477 2
1 17 . 1 1 A 10 10 GLU CB C 10 30.590 31.012 -0.422 2
1 23 . 1 1 A 10 10 GLU C C 10 176.309 175.393 0.916 2
1 24 . 1 1 A 11 11 LYS N N 11 123.786 121.525 2.261 2
1 25 . 1 1 A 11 11 LYS H H 11 8.422 8.216 0.206 2
1 26 . 1 1 A 11 11 LYS CA C 11 54.092 54.247 -0.155 2
1 27 . 1 1 A 11 11 LYS HA H 11 4.614 4.646 -0.032 2
1 28 . 1 1 A 11 11 LYS CB C 11 32.512 32.972 -0.460 2
1 40 . 1 1 A 11 11 LYS C C 11 174.485 176.132 -1.647 2
1 41 . 1 1 A 12 12 PRO CA C 12 63.537 64.944 -1.407 2
1 42 . 1 1 A 12 12 PRO HA H 12 4.222 4.358 -0.136 2
1 43 . 1 1 A 12 12 PRO CB C 12 32.294 31.972 0.322 2
1 52 . 1 1 A 12 12 PRO C C 12 176.522 176.022 0.500 2
1 53 . 1 1 A 13 13 TYR N N 13 118.425 117.803 0.622 2
1 54 . 1 1 A 13 13 TYR H H 13 7.747 7.568 0.179 2
1 55 . 1 1 A 13 13 TYR CA C 13 57.492 56.708 0.784 2
1 56 . 1 1 A 13 13 TYR HA H 13 4.643 5.313 -0.670 2
1 57 . 1 1 A 13 13 TYR CB C 13 38.298 42.298 -4.000 2
1 68 . 1 1 A 13 13 TYR C C 13 174.436 174.555 -0.119 2
1 69 . 1 1 A 14 14 LYS N N 14 125.064 121.825 3.239 2
1 70 . 1 1 A 14 14 LYS H H 14 8.580 8.864 -0.284 2
1 71 . 1 1 A 14 14 LYS CA C 14 55.150 55.556 -0.406 2
1 72 . 1 1 A 14 14 LYS HA H 14 4.934 5.087 -0.153 2
1 73 . 1 1 A 14 14 LYS CB C 14 35.364 36.400 -1.036 2
1 85 . 1 1 A 14 14 LYS C C 14 175.164 174.536 0.629 2
1 86 . 1 1 A 15 15 CYS N N 15 126.356 124.327 2.029 2
1 87 . 1 1 A 15 15 CYS H H 15 9.216 9.150 0.066 2
1 88 . 1 1 A 15 15 CYS CA C 15 59.505 58.873 0.632 2
1 89 . 1 1 A 15 15 CYS HA H 15 4.499 4.737 -0.238 2
1 90 . 1 1 A 15 15 CYS CB C 15 29.802 28.693 1.109 2
1 93 . 1 1 A 15 15 CYS C C 15 177.060 176.241 0.819 2
1 94 . 1 1 A 16 16 ASN N N 16 130.128 123.471 6.657 2
1 95 . 1 1 A 16 16 ASN H H 16 9.375 8.894 0.481 2
1 96 . 1 1 A 16 16 ASN CA C 16 55.567 53.274 2.293 2
1 97 . 1 1 A 16 16 ASN HA H 16 4.526 4.765 -0.239 2
1 98 . 1 1 A 16 16 ASN CB C 16 38.377 38.120 0.257 2
1 104 . 1 1 A 16 16 ASN C C 16 175.395 175.400 -0.005 2
1 105 . 1 1 A 17 17 GLU N N 17 121.112 117.759 3.353 2
1 106 . 1 1 A 17 17 GLU H H 17 8.801 7.817 0.984 2
1 107 . 1 1 A 17 17 GLU CA C 17 58.384 57.903 0.481 2
1 108 . 1 1 A 17 17 GLU HA H 17 4.227 4.316 -0.089 2
1 109 . 1 1 A 17 17 GLU CB C 17 29.679 30.802 -1.123 2
1 115 . 1 1 A 17 17 GLU C C 17 177.104 177.977 -0.873 2
1 116 . 1 1 A 18 18 CYS N N 18 114.836 114.955 -0.119 2
1 117 . 1 1 A 18 18 CYS H H 18 7.953 8.110 -0.157 2
1 118 . 1 1 A 18 18 CYS CA C 18 58.341 59.690 -1.348 2
1 119 . 1 1 A 18 18 CYS HA H 18 5.156 4.730 0.426 2
1 120 . 1 1 A 18 18 CYS CB C 18 32.523 29.966 2.557 2
1 123 . 1 1 A 18 18 CYS C C 18 176.223 175.501 0.722 2
1 124 . 1 1 A 19 19 GLY N N 19 113.235 110.048 3.187 2
1 125 . 1 1 A 19 19 GLY H H 19 8.138 8.115 0.023 2
1 126 . 1 1 A 19 19 GLY CA C 19 46.304 45.188 1.116 2
1 127 . 1 1 A 19 19 GLY HA2 H 19 3.785 4.065 -0.280 2
1 128 . 1 1 A 19 19 GLY HA3 H 19 4.241 4.080 0.161 2
1 129 . 1 1 A 19 19 GLY C C 19 173.712 174.343 -0.631 2
1 130 . 1 1 A 20 20 LYS N N 20 123.349 120.761 2.588 2
1 131 . 1 1 A 20 20 LYS H H 20 8.040 7.644 0.396 2
1 132 . 1 1 A 20 20 LYS CA C 20 58.424 55.311 3.113 2
1 133 . 1 1 A 20 20 LYS HA H 20 3.919 4.353 -0.434 2
1 134 . 1 1 A 20 20 LYS CB C 20 33.699 33.555 0.144 2
1 146 . 1 1 A 20 20 LYS C C 20 173.678 175.188 -1.510 2
1 147 . 1 1 A 21 21 ALA N N 21 124.050 127.030 -2.980 2
1 148 . 1 1 A 21 21 ALA H H 21 7.783 8.520 -0.737 2
1 149 . 1 1 A 21 21 ALA CA C 21 50.427 50.492 -0.065 2
1 150 . 1 1 A 21 21 ALA HA H 21 5.135 5.344 -0.209 2
1 151 . 1 1 A 21 21 ALA CB C 21 22.453 21.349 1.104 2
1 155 . 1 1 A 21 21 ALA C C 21 176.113 176.178 -0.065 2
1 156 . 1 1 A 22 22 PHE N N 22 116.580 120.130 -3.550 2
1 157 . 1 1 A 22 22 PHE H H 22 8.754 9.126 -0.372 2
1 158 . 1 1 A 22 22 PHE CA C 22 57.200 57.079 0.121 2
1 159 . 1 1 A 22 22 PHE HA H 22 4.695 5.010 -0.315 2
1 160 . 1 1 A 22 22 PHE CB C 22 44.007 42.553 1.454 2
1 173 . 1 1 A 22 22 PHE C C 22 175.166 176.078 -0.912 2
1 174 . 1 1 A 23 23 ARG N N 23 120.122 121.232 -1.110 2
1 175 . 1 1 A 23 23 ARG H H 23 9.062 9.016 0.046 2
1 176 . 1 1 A 23 23 ARG CA C 23 57.935 56.963 0.972 2
1 177 . 1 1 A 23 23 ARG HA H 23 4.503 4.546 -0.043 2
1 178 . 1 1 A 23 23 ARG CB C 23 31.133 31.676 -0.543 2
1 187 . 1 1 A 23 23 ARG C C 23 175.314 175.950 -0.636 2
1 188 . 1 1 A 24 24 ALA N N 24 118.433 118.926 -0.493 2
1 189 . 1 1 A 24 24 ALA H H 24 7.636 7.733 -0.097 2
1 190 . 1 1 A 24 24 ALA CA C 24 50.400 50.819 -0.419 2
1 191 . 1 1 A 24 24 ALA HA H 24 4.860 4.742 0.118 2
1 192 . 1 1 A 24 24 ALA CB C 24 21.958 21.753 0.205 2
1 196 . 1 1 A 24 24 ALA C C 24 176.866 177.335 -0.470 2
1 197 . 1 1 A 25 25 ARG N N 25 124.787 120.801 3.986 2
1 198 . 1 1 A 25 25 ARG H H 25 8.490 8.713 -0.223 2
1 199 . 1 1 A 25 25 ARG CA C 25 59.298 59.287 0.011 2
1 200 . 1 1 A 25 25 ARG HA H 25 3.125 3.035 0.090 2
1 201 . 1 1 A 25 25 ARG CB C 25 29.270 29.883 -0.613 2
1 210 . 1 1 A 25 25 ARG C C 25 178.954 177.730 1.224 2
1 211 . 1 1 A 26 26 SER CA C 26 60.587 61.387 -0.800 2
1 212 . 1 1 A 26 26 SER HA H 26 4.057 4.051 0.006 2
1 213 . 1 1 A 26 26 SER CB C 26 61.336 62.810 -1.474 2
1 216 . 1 1 A 26 26 SER C C 26 177.007 176.796 0.211 2
1 217 . 1 1 A 27 27 SER N N 27 117.278 116.783 0.495 2
1 218 . 1 1 A 27 27 SER H H 27 6.825 7.895 -1.070 2
1 219 . 1 1 A 27 27 SER CA C 27 60.701 61.952 -1.251 2
1 220 . 1 1 A 27 27 SER HA H 27 4.167 4.134 0.033 2
1 221 . 1 1 A 27 27 SER CB C 27 62.349 62.957 -0.608 2
1 224 . 1 1 A 27 27 SER C C 27 176.462 175.979 0.483 2
1 225 . 1 1 A 28 28 LEU N N 28 123.661 121.971 1.690 2
1 226 . 1 1 A 28 28 LEU H H 28 7.171 7.733 -0.562 2
1 227 . 1 1 A 28 28 LEU CA C 28 57.758 56.866 0.892 2
1 228 . 1 1 A 28 28 LEU HA H 28 3.179 2.190 0.989 2
1 229 . 1 1 A 28 28 LEU CB C 28 40.196 41.182 -0.986 2
1 242 . 1 1 A 28 28 LEU C C 28 177.102 178.043 -0.941 2
1 243 . 1 1 A 29 29 ALA N N 29 121.695 120.704 0.992 2
1 244 . 1 1 A 29 29 ALA H H 29 7.996 8.076 -0.080 2
1 245 . 1 1 A 29 29 ALA CA C 29 55.373 55.298 0.075 2
1 246 . 1 1 A 29 29 ALA HA H 29 4.175 3.981 0.194 2
1 247 . 1 1 A 29 29 ALA CB C 29 17.751 18.395 -0.644 2
1 251 . 1 1 A 29 29 ALA C C 29 181.065 179.831 1.234 2
1 252 . 1 1 A 30 30 ILE N N 30 118.797 117.767 1.030 2
1 253 . 1 1 A 30 30 ILE H H 30 7.480 7.798 -0.318 2
1 254 . 1 1 A 30 30 ILE CA C 30 64.334 64.983 -0.649 2
1 255 . 1 1 A 30 30 ILE HA H 30 3.698 3.739 -0.041 2
1 256 . 1 1 A 30 30 ILE CB C 30 38.471 37.799 0.672 2
1 269 . 1 1 A 30 30 ILE C C 30 178.562 178.505 0.057 2
1 270 . 1 1 A 31 31 HIS N N 31 118.999 120.057 -1.058 2
1 271 . 1 1 A 31 31 HIS H H 31 7.443 7.939 -0.496 2
1 272 . 1 1 A 31 31 HIS CA C 31 59.207 59.764 -0.557 2
1 273 . 1 1 A 31 31 HIS HA H 31 4.235 4.266 -0.031 2
1 274 . 1 1 A 31 31 HIS CB C 31 28.607 30.119 -1.512 2
1 281 . 1 1 A 31 31 HIS C C 31 178.221 177.525 0.696 2
1 282 . 1 1 A 32 32 GLN N N 32 120.561 117.721 2.840 2
1 283 . 1 1 A 32 32 GLN H H 32 9.107 8.369 0.738 2
1 284 . 1 1 A 32 32 GLN CA C 32 59.849 58.511 1.338 2
1 285 . 1 1 A 32 32 GLN HA H 32 3.717 3.823 -0.106 2
1 286 . 1 1 A 32 32 GLN CB C 32 28.269 28.243 0.026 2
1 295 . 1 1 A 32 32 GLN C C 32 177.933 177.393 0.540 2
1 296 . 1 1 A 33 33 ALA N N 33 120.580 121.192 -0.612 2
1 297 . 1 1 A 33 33 ALA H H 33 7.225 7.296 -0.071 2
1 298 . 1 1 A 33 33 ALA CA C 33 54.275 53.201 1.074 2
1 299 . 1 1 A 33 33 ALA HA H 33 4.223 4.190 0.033 2
1 300 . 1 1 A 33 33 ALA CB C 33 18.072 17.974 0.098 2
1 304 . 1 1 A 33 33 ALA C C 33 179.277 177.961 1.316 2
1 305 . 1 1 A 34 34 THR N N 34 108.871 110.226 -1.355 2
1 306 . 1 1 A 34 34 THR H H 34 7.690 7.996 -0.306 2
1 307 . 1 1 A 34 34 THR CA C 34 63.808 63.038 0.770 2
1 308 . 1 1 A 34 34 THR HA H 34 4.152 4.457 -0.305 2
1 309 . 1 1 A 34 34 THR CB C 34 69.413 70.290 -0.877 2
1 315 . 1 1 A 34 34 THR C C 34 175.831 175.338 0.493 2
1 316 . 1 1 A 35 35 HIS N N 35 118.845 119.360 -0.515 2
1 317 . 1 1 A 35 35 HIS H H 35 7.183 7.663 -0.480 2
1 318 . 1 1 A 35 35 HIS CA C 35 55.596 56.286 -0.690 2
1 319 . 1 1 A 35 35 HIS HA H 35 4.800 4.548 0.252 2
1 320 . 1 1 A 35 35 HIS CB C 35 28.675 28.827 -0.152 2
1 327 . 1 1 A 35 35 HIS C C 35 175.495 175.181 0.314 2
1 328 . 1 1 A 36 36 SER N N 36 115.119 117.155 -2.036 2
1 329 . 1 1 A 36 36 SER H H 36 7.871 8.043 -0.172 2
1 330 . 1 1 A 36 36 SER CA C 36 58.965 58.751 0.214 2
1 331 . 1 1 A 36 36 SER HA H 36 4.444 4.418 0.027 2
1 332 . 1 1 A 36 36 SER CB C 36 63.882 63.715 0.167 2
1 335 . 1 1 A 36 36 SER C C 36 175.070 174.488 0.582 2
1 336 . 1 1 A 37 37 GLY N N 37 110.906 112.054 -1.148 2
1 337 . 1 1 A 37 37 GLY H H 37 8.364 8.476 -0.112 2
1 338 . 1 1 A 37 37 GLY CA C 37 45.222 45.824 -0.602 2
1 339 . 1 1 A 37 37 GLY HA2 H 37 3.977 4.049 -0.072 2
1 340 . 1 1 A 37 37 GLY HA3 H 37 3.901 4.053 -0.152 2
1 341 . 1 1 A 37 37 GLY C C 37 174.068 173.819 0.249 2
1 342 . 1 1 A 38 38 GLU N N 38 120.200 120.546 -0.346 2
1 343 . 1 1 A 38 38 GLU H H 38 8.198 8.399 -0.201 2
1 344 . 1 1 A 38 38 GLU CA C 38 56.989 56.472 0.517 2
1 345 . 1 1 A 38 38 GLU HA H 38 4.140 4.427 -0.287 2
1 346 . 1 1 A 38 38 GLU CB C 38 30.446 30.299 0.147 2
1 352 . 1 1 A 38 38 GLU C C 38 176.270 175.580 0.690 2
1 353 . 1 1 A 39 39 LYS N N 39 120.907 121.944 -1.037 2
1 354 . 1 1 A 39 39 LYS H H 39 8.233 8.262 -0.029 2
1 355 . 1 1 A 39 39 LYS CA C 39 53.740 53.904 -0.164 2
1 356 . 1 1 A 39 39 LYS HA H 39 4.464 4.674 -0.210 2
1 357 . 1 1 A 39 39 LYS CB C 39 33.224 32.673 0.551 2
1 369 . 1 1 A 39 39 LYS C C 39 173.830 174.826 -0.996 2
1 370 . 1 1 A 40 40 PRO CA C 40 63.189 63.215 -0.026 2
1 371 . 1 1 A 40 40 PRO HA H 40 4.462 4.562 -0.100 2
1 372 . 1 1 A 40 40 PRO CB C 40 32.177 31.769 0.408 2
1 381 . 1 1 A 41 41 SER N N 41 116.632 115.790 0.842 2
1 382 . 1 1 A 41 41 SER H H 41 8.507 8.282 0.225 2
1 383 . 1 1 A 41 41 SER CA C 41 58.580 59.169 -0.589 2
1 384 . 1 1 A 41 41 SER HA H 41 4.502 4.484 0.018 2
1 385 . 1 1 A 41 41 SER CB C 41 63.908 63.487 0.421 2
1 388 . 1 1 A 42 42 GLY N N 42 110.670 110.593 0.077 2
1 389 . 1 1 A 42 42 GLY H H 42 8.222 8.087 0.135 2
1 390 . 1 1 A 42 42 GLY CA C 42 44.675 45.562 -0.887 2
1 391 . 1 1 A 42 42 GLY HA2 H 42 4.151 4.229 -0.078 2
1 392 . 1 1 A 42 42 GLY HA3 H 42 4.079 4.232 -0.153 2
1 393 . 1 1 A 43 43 PRO CA C 43 63.074 63.277 -0.203 2
1 394 . 1 1 A 43 43 PRO HA H 43 4.462 4.575 -0.113 2
1 395 . 1 1 A 43 43 PRO CB C 43 32.165 32.078 0.087 2
stop_
save_