data_10227_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10227
_Entry.PDB_ID 2EMY
_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 7 7 GLY HA2 H 7 4.007 4.072 -0.065 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.007 4.082 -0.075 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.477 172.870 1.607 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.398 46.103 -0.705 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.136 7.950 0.186 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.362 4.757 -0.395 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.239 173.433 1.806 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.653 59.972 1.681 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.822 70.400 -0.578 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.770 114.626 -1.856 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.425 8.525 -0.100 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.967 4.046 -0.079 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.897 4.049 -0.152 1
1 19 . 1 1 1 A 9 9 GLY C C 9 173.998 173.698 0.300 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.295 46.123 -0.828 1
1 21 . 1 1 1 A 9 9 GLY N N 9 110.930 114.954 -4.024 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.184 8.097 0.087 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.190 4.535 -0.345 1
1 28 . 1 1 1 A 10 10 GLU C C 10 175.905 174.918 0.987 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.816 55.621 1.195 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.490 29.979 0.511 1
1 32 . 1 1 1 A 10 10 GLU N N 10 119.839 118.649 1.190 1
1 33 . 1 1 1 A 11 11 ASN H H 11 8.336 8.337 -0.001 1
1 34 . 1 1 1 A 11 11 ASN HA H 11 4.872 5.588 -0.716 1
1 39 . 1 1 1 A 11 11 ASN C C 11 172.608 173.681 -1.073 1
1 40 . 1 1 1 A 11 11 ASN CA C 11 51.221 50.353 0.868 1
1 41 . 1 1 1 A 11 11 ASN CB C 11 39.327 39.364 -0.037 1
1 42 . 1 1 1 A 11 11 ASN N N 11 119.052 123.529 -4.477 1
1 44 . 1 1 1 A 12 12 PRO HA H 12 4.264 4.435 -0.171 1
1 51 . 1 1 1 A 12 12 PRO C C 12 176.384 175.605 0.779 1
1 52 . 1 1 1 A 12 12 PRO CA C 12 63.452 64.039 -0.587 1
1 53 . 1 1 1 A 12 12 PRO CB C 12 32.238 31.432 0.806 1
1 56 . 1 1 1 A 13 13 TYR H H 13 7.915 7.105 0.810 1
1 57 . 1 1 1 A 13 13 TYR HA H 13 4.630 5.084 -0.454 1
1 64 . 1 1 1 A 13 13 TYR C C 13 174.410 174.361 0.049 1
1 65 . 1 1 1 A 13 13 TYR CA C 13 57.169 56.631 0.538 1
1 66 . 1 1 1 A 13 13 TYR CB C 13 38.062 39.688 -1.626 1
1 71 . 1 1 1 A 13 13 TYR N N 13 118.491 119.103 -0.612 1
1 72 . 1 1 1 A 14 14 GLU H H 14 8.391 9.019 -0.628 1
1 73 . 1 1 1 A 14 14 GLU HA H 14 4.767 5.451 -0.684 1
1 78 . 1 1 1 A 14 14 GLU C C 14 174.879 175.919 -1.040 1
1 79 . 1 1 1 A 14 14 GLU CA C 14 55.103 54.707 0.396 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 32.827 32.944 -0.117 1
1 82 . 1 1 1 A 14 14 GLU N N 14 124.387 124.021 0.366 1
1 83 . 1 1 1 A 15 15 CYS H H 15 9.266 9.227 0.039 1
1 84 . 1 1 1 A 15 15 CYS HA H 15 4.543 4.514 0.029 1
1 87 . 1 1 1 A 15 15 CYS C C 15 177.019 176.694 0.325 1
1 88 . 1 1 1 A 15 15 CYS CA C 15 59.235 59.770 -0.535 1
1 89 . 1 1 1 A 15 15 CYS CB C 15 29.540 28.101 1.439 1
1 90 . 1 1 1 A 15 15 CYS N N 15 126.125 123.693 2.432 1
1 91 . 1 1 1 A 16 16 HIS HA H 16 4.581 4.657 -0.076 1
1 96 . 1 1 1 A 16 16 HIS C C 16 175.444 174.752 0.692 1
1 97 . 1 1 1 A 16 16 HIS CA C 16 58.116 56.308 1.808 1
1 98 . 1 1 1 A 16 16 HIS CB C 16 29.448 29.947 -0.499 1
1 101 . 1 1 1 A 16 16 HIS N N 16 120.818 123.944 -3.126 1
1 102 . 1 1 1 A 17 17 GLU H H 17 8.532 7.716 0.816 1
1 103 . 1 1 1 A 17 17 GLU HA H 17 4.154 4.405 -0.251 1
1 108 . 1 1 1 A 17 17 GLU C C 17 177.167 177.764 -0.597 1
1 109 . 1 1 1 A 17 17 GLU CA C 17 58.373 57.093 1.280 1
1 110 . 1 1 1 A 17 17 GLU CB C 17 29.496 31.308 -1.812 1
1 112 . 1 1 1 A 17 17 GLU N N 17 120.802 117.449 3.353 1
1 113 . 1 1 1 A 18 18 CYS H H 18 7.828 8.159 -0.331 1
1 114 . 1 1 1 A 18 18 CYS HA H 18 5.133 4.651 0.482 1
1 117 . 1 1 1 A 18 18 CYS C C 18 176.064 175.219 0.845 1
1 118 . 1 1 1 A 18 18 CYS CA C 18 58.259 59.672 -1.413 1
1 119 . 1 1 1 A 18 18 CYS CB C 18 32.515 29.798 2.717 1
1 120 . 1 1 1 A 18 18 CYS N N 18 114.288 114.847 -0.559 1
1 121 . 1 1 1 A 19 19 GLY H H 19 8.215 7.981 0.234 1
1 122 . 1 1 1 A 19 19 GLY HA2 H 19 3.863 4.073 -0.210 1
1 123 . 1 1 1 A 19 19 GLY HA3 H 19 4.207 4.083 0.124 1
1 124 . 1 1 1 A 19 19 GLY C C 19 173.989 174.590 -0.601 1
1 125 . 1 1 1 A 19 19 GLY CA C 19 46.144 45.024 1.120 1
1 126 . 1 1 1 A 19 19 GLY N N 19 113.636 109.848 3.788 1
1 127 . 1 1 1 A 20 20 LYS H H 20 7.895 7.456 0.439 1
1 128 . 1 1 1 A 20 20 LYS HA H 20 3.938 4.208 -0.270 1
1 137 . 1 1 1 A 20 20 LYS C C 20 173.489 175.423 -1.934 1
1 138 . 1 1 1 A 20 20 LYS CA C 20 57.884 55.864 2.020 1
1 139 . 1 1 1 A 20 20 LYS CB C 20 33.788 33.534 0.254 1
1 143 . 1 1 1 A 20 20 LYS N N 20 122.674 122.152 0.522 1
1 144 . 1 1 1 A 21 21 ALA H H 21 7.745 7.968 -0.223 1
1 145 . 1 1 1 A 21 21 ALA HA H 21 5.041 5.257 -0.216 1
1 149 . 1 1 1 A 21 21 ALA C C 21 176.127 174.911 1.216 1
1 150 . 1 1 1 A 21 21 ALA CA C 21 50.368 50.577 -0.209 1
1 151 . 1 1 1 A 21 21 ALA CB C 21 22.257 23.132 -0.875 1
1 152 . 1 1 1 A 21 21 ALA N N 21 123.181 124.402 -1.221 1
1 153 . 1 1 1 A 22 22 PHE H H 22 8.499 9.256 -0.757 1
1 154 . 1 1 1 A 22 22 PHE HA H 22 4.707 4.956 -0.249 1
1 162 . 1 1 1 A 22 22 PHE C C 22 175.514 175.545 -0.031 1
1 163 . 1 1 1 A 22 22 PHE CA C 22 57.024 56.889 0.135 1
1 164 . 1 1 1 A 22 22 PHE CB C 22 43.573 43.361 0.212 1
1 170 . 1 1 1 A 22 22 PHE N N 22 117.063 117.825 -0.762 1
1 171 . 1 1 1 A 23 23 SER H H 23 8.920 8.591 0.329 1
1 172 . 1 1 1 A 23 23 SER HA H 23 4.679 4.570 0.109 1
1 175 . 1 1 1 A 23 23 SER C C 23 174.739 173.693 1.046 1
1 176 . 1 1 1 A 23 23 SER CA C 23 60.211 61.472 -1.261 1
1 177 . 1 1 1 A 23 23 SER CB C 23 64.285 63.427 0.858 1
1 178 . 1 1 1 A 23 23 SER N N 23 115.806 117.215 -1.409 1
1 179 . 1 1 1 A 24 24 ARG H H 24 7.566 7.900 -0.334 1
1 180 . 1 1 1 A 24 24 ARG HA H 24 4.797 4.557 0.240 1
1 187 . 1 1 1 A 24 24 ARG C C 24 176.488 176.623 -0.135 1
1 188 . 1 1 1 A 24 24 ARG CA C 24 53.323 54.141 -0.818 1
1 189 . 1 1 1 A 24 24 ARG CB C 24 33.751 32.145 1.606 1
1 192 . 1 1 1 A 24 24 ARG N N 24 117.138 118.818 -1.680 1
1 193 . 1 1 1 A 25 25 LYS H H 25 8.511 8.396 0.115 1
1 194 . 1 1 1 A 25 25 LYS HA H 25 2.879 3.001 -0.122 1
1 203 . 1 1 1 A 25 25 LYS C C 25 178.784 177.349 1.435 1
1 204 . 1 1 1 A 25 25 LYS CA C 25 59.821 58.314 1.507 1
1 205 . 1 1 1 A 25 25 LYS CB C 25 31.540 31.910 -0.370 1
1 209 . 1 1 1 A 25 25 LYS N N 25 116.581 122.848 -6.267 1
1 210 . 1 1 1 A 26 26 TYR H H 26 8.189 8.170 0.019 1
1 211 . 1 1 1 A 26 26 TYR HA H 26 4.155 4.093 0.062 1
1 218 . 1 1 1 A 26 26 TYR C C 26 177.714 178.375 -0.661 1
1 219 . 1 1 1 A 26 26 TYR CA C 26 60.191 60.802 -0.611 1
1 220 . 1 1 1 A 26 26 TYR CB C 26 36.264 37.209 -0.945 1
1 225 . 1 1 1 A 26 26 TYR N N 26 114.321 118.526 -4.205 1
1 226 . 1 1 1 A 27 27 GLN H H 27 6.421 7.310 -0.889 1
1 227 . 1 1 1 A 27 27 GLN HA H 27 3.781 3.224 0.557 1
1 234 . 1 1 1 A 27 27 GLN C C 27 178.492 177.052 1.440 1
1 235 . 1 1 1 A 27 27 GLN CA C 27 57.318 57.972 -0.654 1
1 236 . 1 1 1 A 27 27 GLN CB C 27 28.324 28.079 0.245 1
1 238 . 1 1 1 A 27 27 GLN N N 27 119.701 120.777 -1.076 1
1 240 . 1 1 1 A 28 28 LEU H H 28 6.727 7.168 -0.441 1
1 241 . 1 1 1 A 28 28 LEU HA H 28 3.340 1.741 1.599 1
1 251 . 1 1 1 A 28 28 LEU C C 28 177.564 177.816 -0.252 1
1 252 . 1 1 1 A 28 28 LEU CA C 28 57.865 56.272 1.593 1
1 253 . 1 1 1 A 28 28 LEU CB C 28 40.440 41.914 -1.474 1
1 257 . 1 1 1 A 28 28 LEU N N 28 121.434 120.446 0.988 1
1 258 . 1 1 1 A 29 29 ILE H H 29 7.970 7.519 0.451 1
1 259 . 1 1 1 A 29 29 ILE HA H 29 3.741 3.480 0.261 1
1 269 . 1 1 1 A 29 29 ILE C C 29 179.163 177.898 1.265 1
1 270 . 1 1 1 A 29 29 ILE CA C 29 64.518 65.148 -0.630 1
1 271 . 1 1 1 A 29 29 ILE CB C 29 37.255 37.698 -0.443 1
1 275 . 1 1 1 A 29 29 ILE N N 29 119.312 120.399 -1.087 1
1 276 . 1 1 1 A 30 30 SER H H 30 7.665 7.969 -0.304 1
1 277 . 1 1 1 A 30 30 SER HA H 30 4.091 4.090 0.001 1
1 280 . 1 1 1 A 30 30 SER C C 30 177.361 176.821 0.540 1
1 281 . 1 1 1 A 30 30 SER CA C 30 61.460 60.671 0.789 1
1 282 . 1 1 1 A 30 30 SER CB C 30 62.526 63.117 -0.591 1
1 283 . 1 1 1 A 30 30 SER N N 30 113.605 115.401 -1.796 1
1 284 . 1 1 1 A 31 31 HIS H H 31 7.600 7.559 0.041 1
1 285 . 1 1 1 A 31 31 HIS HA H 31 4.237 4.285 -0.048 1
1 290 . 1 1 1 A 31 31 HIS C C 31 177.843 177.381 0.462 1
1 291 . 1 1 1 A 31 31 HIS CA C 31 59.125 59.285 -0.160 1
1 292 . 1 1 1 A 31 31 HIS CB C 31 28.478 30.031 -1.553 1
1 295 . 1 1 1 A 31 31 HIS N N 31 120.473 120.640 -0.167 1
1 296 . 1 1 1 A 32 32 GLN H H 32 8.815 8.150 0.665 1
1 297 . 1 1 1 A 32 32 GLN HA H 32 3.691 3.901 -0.210 1
1 304 . 1 1 1 A 32 32 GLN C C 32 178.072 178.603 -0.531 1
1 305 . 1 1 1 A 32 32 GLN CA C 32 59.764 59.040 0.724 1
1 306 . 1 1 1 A 32 32 GLN CB C 32 27.967 28.331 -0.364 1
1 308 . 1 1 1 A 32 32 GLN N N 32 120.188 117.590 2.598 1
1 310 . 1 1 1 A 33 33 ARG H H 33 7.307 7.728 -0.421 1
1 311 . 1 1 1 A 33 33 ARG HA H 33 4.124 4.056 0.068 1
1 318 . 1 1 1 A 33 33 ARG C C 33 178.441 178.635 -0.194 1
1 319 . 1 1 1 A 33 33 ARG CA C 33 58.665 59.251 -0.586 1
1 320 . 1 1 1 A 33 33 ARG CB C 33 29.859 30.030 -0.171 1
1 323 . 1 1 1 A 33 33 ARG N N 33 118.223 120.082 -1.859 1
1 324 . 1 1 1 A 34 34 THR H H 34 7.731 8.277 -0.546 1
1 325 . 1 1 1 A 34 34 THR HA H 34 4.123 3.946 0.177 1
1 330 . 1 1 1 A 34 34 THR C C 34 175.609 176.618 -1.009 1
1 331 . 1 1 1 A 34 34 THR CA C 34 63.859 65.208 -1.349 1
1 332 . 1 1 1 A 34 34 THR CB C 34 69.118 68.184 0.934 1
1 334 . 1 1 1 A 34 34 THR N N 34 109.975 113.279 -3.304 1
1 335 . 1 1 1 A 35 35 HIS H H 35 7.062 7.549 -0.487 1
1 336 . 1 1 1 A 35 35 HIS HA H 35 4.799 4.276 0.523 1
1 341 . 1 1 1 A 35 35 HIS C C 35 175.092 175.912 -0.820 1
1 342 . 1 1 1 A 35 35 HIS CA C 35 55.122 59.017 -3.895 1
1 343 . 1 1 1 A 35 35 HIS CB C 35 28.756 30.151 -1.395 1
1 346 . 1 1 1 A 35 35 HIS N N 35 118.423 118.994 -0.571 1
1 347 . 1 1 1 A 36 36 ALA H H 36 7.630 7.383 0.247 1
1 348 . 1 1 1 A 36 36 ALA HA H 36 4.347 3.901 0.446 1
1 352 . 1 1 1 A 36 36 ALA C C 36 178.040 178.280 -0.240 1
1 353 . 1 1 1 A 36 36 ALA CA C 36 53.136 53.874 -0.738 1
1 354 . 1 1 1 A 36 36 ALA CB C 36 19.243 18.432 0.811 1
1 355 . 1 1 1 A 36 36 ALA N N 36 123.035 121.555 1.480 1
1 356 . 1 1 1 A 37 37 GLY H H 37 8.237 8.513 -0.276 1
1 357 . 1 1 1 A 37 37 GLY HA2 H 37 3.966 4.004 -0.038 1
1 358 . 1 1 1 A 37 37 GLY HA3 H 37 3.966 4.004 -0.038 1
1 359 . 1 1 1 A 37 37 GLY C C 37 174.074 173.560 0.514 1
1 360 . 1 1 1 A 37 37 GLY CA C 37 45.231 45.526 -0.295 1
1 361 . 1 1 1 A 37 37 GLY N N 37 107.712 111.267 -3.555 1
1 362 . 1 1 1 A 38 38 GLU H H 38 8.092 7.811 0.281 1
1 363 . 1 1 1 A 38 38 GLU HA H 38 4.283 4.799 -0.516 1
1 368 . 1 1 1 A 38 38 GLU C C 38 176.336 174.694 1.642 1
1 369 . 1 1 1 A 38 38 GLU CA C 38 56.392 54.720 1.672 1
1 370 . 1 1 1 A 38 38 GLU CB C 38 30.516 32.450 -1.934 1
1 372 . 1 1 1 A 38 38 GLU N N 38 120.352 116.596 3.756 1
1 373 . 1 1 1 A 39 39 LYS H H 39 8.396 8.424 -0.028 1
1 374 . 1 1 1 A 39 39 LYS HA H 39 4.623 4.763 -0.140 1
1 383 . 1 1 1 A 39 39 LYS C C 39 174.472 174.591 -0.119 1
1 384 . 1 1 1 A 39 39 LYS CA C 39 54.053 53.358 0.695 1
1 385 . 1 1 1 A 39 39 LYS CB C 39 32.429 32.110 0.319 1
1 389 . 1 1 1 A 39 39 LYS N N 39 123.622 122.455 1.167 1
1 390 . 1 1 1 A 40 40 PRO HA H 40 4.467 4.677 -0.210 1
1 397 . 1 1 1 A 40 40 PRO CA C 40 63.263 62.334 0.929 1
1 398 . 1 1 1 A 40 40 PRO CB C 40 32.140 33.226 -1.086 1
1 401 . 1 1 1 A 42 42 GLY HA2 H 42 4.163 4.031 0.132 1
1 402 . 1 1 1 A 42 42 GLY HA3 H 42 4.097 4.034 0.063 1
1 403 . 1 1 1 A 42 42 GLY CA C 42 44.650 45.757 -1.107 1
1 404 . 1 1 1 A 43 43 PRO HA H 43 4.432 4.264 0.168 1
1 411 . 1 1 1 A 43 43 PRO CA C 43 63.073 63.091 -0.018 1
1 412 . 1 1 1 A 43 43 PRO CB C 43 32.138 32.368 -0.230 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.007 4.043 -0.036 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.007 4.044 -0.037 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.477 172.800 1.677 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.398 45.079 0.319 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.136 8.559 -0.423 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.362 5.031 -0.669 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.239 174.261 0.978 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.653 60.552 1.101 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.822 70.098 -0.276 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.770 114.440 -1.670 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.425 8.570 -0.145 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.967 4.045 -0.078 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.897 4.051 -0.154 1
1 19 . 2 1 1 A 9 9 GLY C C 9 173.998 173.501 0.497 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.295 45.509 -0.214 1
1 21 . 2 1 1 A 9 9 GLY N N 9 110.930 112.082 -1.152 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.184 8.567 -0.383 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.190 4.343 -0.153 1
1 28 . 2 1 1 A 10 10 GLU C C 10 175.905 175.250 0.655 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.816 55.462 1.354 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.490 27.921 2.569 1
1 32 . 2 1 1 A 10 10 GLU N N 10 119.839 122.198 -2.359 1
1 33 . 2 1 1 A 11 11 ASN H H 11 8.336 7.918 0.418 1
1 34 . 2 1 1 A 11 11 ASN HA H 11 4.872 5.353 -0.481 1
1 39 . 2 1 1 A 11 11 ASN C C 11 172.608 173.603 -0.995 1
1 40 . 2 1 1 A 11 11 ASN CA C 11 51.221 50.290 0.931 1
1 41 . 2 1 1 A 11 11 ASN CB C 11 39.327 39.300 0.027 1
1 42 . 2 1 1 A 11 11 ASN N N 11 119.052 122.635 -3.583 1
1 44 . 2 1 1 A 12 12 PRO HA H 12 4.264 4.413 -0.149 1
1 51 . 2 1 1 A 12 12 PRO C C 12 176.384 175.676 0.708 1
1 52 . 2 1 1 A 12 12 PRO CA C 12 63.452 63.999 -0.547 1
1 53 . 2 1 1 A 12 12 PRO CB C 12 32.238 31.444 0.794 1
1 56 . 2 1 1 A 13 13 TYR H H 13 7.915 7.054 0.861 1
1 57 . 2 1 1 A 13 13 TYR HA H 13 4.630 5.192 -0.562 1
1 64 . 2 1 1 A 13 13 TYR C C 13 174.410 174.472 -0.062 1
1 65 . 2 1 1 A 13 13 TYR CA C 13 57.169 56.624 0.545 1
1 66 . 2 1 1 A 13 13 TYR CB C 13 38.062 40.124 -2.062 1
1 71 . 2 1 1 A 13 13 TYR N N 13 118.491 118.931 -0.440 1
1 72 . 2 1 1 A 14 14 GLU H H 14 8.391 9.028 -0.637 1
1 73 . 2 1 1 A 14 14 GLU HA H 14 4.767 5.395 -0.628 1
1 78 . 2 1 1 A 14 14 GLU C C 14 174.879 175.819 -0.940 1
1 79 . 2 1 1 A 14 14 GLU CA C 14 55.103 54.708 0.395 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 32.827 32.960 -0.133 1
1 82 . 2 1 1 A 14 14 GLU N N 14 124.387 124.416 -0.029 1
1 83 . 2 1 1 A 15 15 CYS H H 15 9.266 9.175 0.091 1
1 84 . 2 1 1 A 15 15 CYS HA H 15 4.543 4.477 0.066 1
1 87 . 2 1 1 A 15 15 CYS C C 15 177.019 176.744 0.275 1
1 88 . 2 1 1 A 15 15 CYS CA C 15 59.235 59.524 -0.289 1
1 89 . 2 1 1 A 15 15 CYS CB C 15 29.540 28.511 1.029 1
1 90 . 2 1 1 A 15 15 CYS N N 15 126.125 123.894 2.231 1
1 91 . 2 1 1 A 16 16 HIS HA H 16 4.581 4.607 -0.026 1
1 96 . 2 1 1 A 16 16 HIS C C 16 175.444 174.719 0.725 1
1 97 . 2 1 1 A 16 16 HIS CA C 16 58.116 56.828 1.288 1
1 98 . 2 1 1 A 16 16 HIS CB C 16 29.448 29.839 -0.391 1
1 101 . 2 1 1 A 16 16 HIS N N 16 120.818 125.119 -4.301 1
1 102 . 2 1 1 A 17 17 GLU H H 17 8.532 7.840 0.692 1
1 103 . 2 1 1 A 17 17 GLU HA H 17 4.154 4.398 -0.244 1
1 108 . 2 1 1 A 17 17 GLU C C 17 177.167 177.692 -0.525 1
1 109 . 2 1 1 A 17 17 GLU CA C 17 58.373 57.112 1.261 1
1 110 . 2 1 1 A 17 17 GLU CB C 17 29.496 31.203 -1.707 1
1 112 . 2 1 1 A 17 17 GLU N N 17 120.802 117.673 3.129 1
1 113 . 2 1 1 A 18 18 CYS H H 18 7.828 8.101 -0.273 1
1 114 . 2 1 1 A 18 18 CYS HA H 18 5.133 4.719 0.414 1
1 117 . 2 1 1 A 18 18 CYS C C 18 176.064 175.449 0.615 1
1 118 . 2 1 1 A 18 18 CYS CA C 18 58.259 59.734 -1.475 1
1 119 . 2 1 1 A 18 18 CYS CB C 18 32.515 29.927 2.588 1
1 120 . 2 1 1 A 18 18 CYS N N 18 114.288 114.604 -0.316 1
1 121 . 2 1 1 A 19 19 GLY H H 19 8.215 7.933 0.282 1
1 122 . 2 1 1 A 19 19 GLY HA2 H 19 3.863 4.077 -0.214 1
1 123 . 2 1 1 A 19 19 GLY HA3 H 19 4.207 4.088 0.119 1
1 124 . 2 1 1 A 19 19 GLY C C 19 173.989 174.573 -0.584 1
1 125 . 2 1 1 A 19 19 GLY CA C 19 46.144 45.107 1.037 1
1 126 . 2 1 1 A 19 19 GLY N N 19 113.636 109.824 3.812 1
1 127 . 2 1 1 A 20 20 LYS H H 20 7.895 7.941 -0.046 1
1 128 . 2 1 1 A 20 20 LYS HA H 20 3.938 4.252 -0.314 1
1 137 . 2 1 1 A 20 20 LYS C C 20 173.489 175.321 -1.832 1
1 138 . 2 1 1 A 20 20 LYS CA C 20 57.884 55.792 2.092 1
1 139 . 2 1 1 A 20 20 LYS CB C 20 33.788 33.625 0.163 1
1 143 . 2 1 1 A 20 20 LYS N N 20 122.674 121.906 0.768 1
1 144 . 2 1 1 A 21 21 ALA H H 21 7.745 7.867 -0.122 1
1 145 . 2 1 1 A 21 21 ALA HA H 21 5.041 5.276 -0.235 1
1 149 . 2 1 1 A 21 21 ALA C C 21 176.127 174.761 1.366 1
1 150 . 2 1 1 A 21 21 ALA CA C 21 50.368 50.498 -0.130 1
1 151 . 2 1 1 A 21 21 ALA CB C 21 22.257 22.884 -0.627 1
1 152 . 2 1 1 A 21 21 ALA N N 21 123.181 124.278 -1.097 1
1 153 . 2 1 1 A 22 22 PHE H H 22 8.499 9.276 -0.777 1
1 154 . 2 1 1 A 22 22 PHE HA H 22 4.707 4.941 -0.234 1
1 162 . 2 1 1 A 22 22 PHE C C 22 175.514 175.934 -0.420 1
1 163 . 2 1 1 A 22 22 PHE CA C 22 57.024 56.898 0.126 1
1 164 . 2 1 1 A 22 22 PHE CB C 22 43.573 43.113 0.460 1
1 170 . 2 1 1 A 22 22 PHE N N 22 117.063 118.174 -1.111 1
1 171 . 2 1 1 A 23 23 SER H H 23 8.920 8.601 0.319 1
1 172 . 2 1 1 A 23 23 SER HA H 23 4.679 4.450 0.229 1
1 175 . 2 1 1 A 23 23 SER C C 23 174.739 175.237 -0.498 1
1 176 . 2 1 1 A 23 23 SER CA C 23 60.211 61.875 -1.664 1
1 177 . 2 1 1 A 23 23 SER CB C 23 64.285 63.655 0.630 1
1 178 . 2 1 1 A 23 23 SER N N 23 115.806 116.703 -0.897 1
1 179 . 2 1 1 A 24 24 ARG H H 24 7.566 7.992 -0.426 1
1 180 . 2 1 1 A 24 24 ARG HA H 24 4.797 4.766 0.031 1
1 187 . 2 1 1 A 24 24 ARG C C 24 176.488 176.850 -0.362 1
1 188 . 2 1 1 A 24 24 ARG CA C 24 53.323 54.203 -0.880 1
1 189 . 2 1 1 A 24 24 ARG CB C 24 33.751 32.546 1.205 1
1 192 . 2 1 1 A 24 24 ARG N N 24 117.138 119.087 -1.949 1
1 193 . 2 1 1 A 25 25 LYS H H 25 8.511 8.559 -0.048 1
1 194 . 2 1 1 A 25 25 LYS HA H 25 2.879 2.931 -0.052 1
1 203 . 2 1 1 A 25 25 LYS C C 25 178.784 177.636 1.148 1
1 204 . 2 1 1 A 25 25 LYS CA C 25 59.821 58.195 1.626 1
1 205 . 2 1 1 A 25 25 LYS CB C 25 31.540 31.818 -0.278 1
1 209 . 2 1 1 A 25 25 LYS N N 25 116.581 122.797 -6.216 1
1 210 . 2 1 1 A 26 26 TYR H H 26 8.189 7.968 0.221 1
1 211 . 2 1 1 A 26 26 TYR HA H 26 4.155 4.086 0.069 1
1 218 . 2 1 1 A 26 26 TYR C C 26 177.714 178.128 -0.414 1
1 219 . 2 1 1 A 26 26 TYR CA C 26 60.191 60.710 -0.519 1
1 220 . 2 1 1 A 26 26 TYR CB C 26 36.264 37.141 -0.877 1
1 225 . 2 1 1 A 26 26 TYR N N 26 114.321 118.599 -4.278 1
1 226 . 2 1 1 A 27 27 GLN H H 27 6.421 7.583 -1.162 1
1 227 . 2 1 1 A 27 27 GLN HA H 27 3.781 3.167 0.614 1
1 234 . 2 1 1 A 27 27 GLN C C 27 178.492 177.189 1.303 1
1 235 . 2 1 1 A 27 27 GLN CA C 27 57.318 58.065 -0.747 1
1 236 . 2 1 1 A 27 27 GLN CB C 27 28.324 28.140 0.184 1
1 238 . 2 1 1 A 27 27 GLN N N 27 119.701 120.876 -1.175 1
1 240 . 2 1 1 A 28 28 LEU H H 28 6.727 7.259 -0.532 1
1 241 . 2 1 1 A 28 28 LEU HA H 28 3.340 1.725 1.615 1
1 251 . 2 1 1 A 28 28 LEU C C 28 177.564 177.826 -0.262 1
1 252 . 2 1 1 A 28 28 LEU CA C 28 57.865 56.165 1.700 1
1 253 . 2 1 1 A 28 28 LEU CB C 28 40.440 41.981 -1.541 1
1 257 . 2 1 1 A 28 28 LEU N N 28 121.434 120.464 0.970 1
1 258 . 2 1 1 A 29 29 ILE H H 29 7.970 7.483 0.487 1
1 259 . 2 1 1 A 29 29 ILE HA H 29 3.741 3.455 0.286 1
1 269 . 2 1 1 A 29 29 ILE C C 29 179.163 177.873 1.290 1
1 270 . 2 1 1 A 29 29 ILE CA C 29 64.518 65.066 -0.548 1
1 271 . 2 1 1 A 29 29 ILE CB C 29 37.255 37.513 -0.258 1
1 275 . 2 1 1 A 29 29 ILE N N 29 119.312 120.230 -0.918 1
1 276 . 2 1 1 A 30 30 SER H H 30 7.665 7.942 -0.277 1
1 277 . 2 1 1 A 30 30 SER HA H 30 4.091 4.058 0.033 1
1 280 . 2 1 1 A 30 30 SER C C 30 177.361 176.808 0.553 1
1 281 . 2 1 1 A 30 30 SER CA C 30 61.460 60.848 0.612 1
1 282 . 2 1 1 A 30 30 SER CB C 30 62.526 63.082 -0.556 1
1 283 . 2 1 1 A 30 30 SER N N 30 113.605 115.300 -1.695 1
1 284 . 2 1 1 A 31 31 HIS H H 31 7.600 7.446 0.154 1
1 285 . 2 1 1 A 31 31 HIS HA H 31 4.237 4.315 -0.078 1
1 290 . 2 1 1 A 31 31 HIS C C 31 177.843 177.425 0.418 1
1 291 . 2 1 1 A 31 31 HIS CA C 31 59.125 59.329 -0.204 1
1 292 . 2 1 1 A 31 31 HIS CB C 31 28.478 29.980 -1.502 1
1 295 . 2 1 1 A 31 31 HIS N N 31 120.473 120.824 -0.351 1
1 296 . 2 1 1 A 32 32 GLN H H 32 8.815 8.169 0.646 1
1 297 . 2 1 1 A 32 32 GLN HA H 32 3.691 3.925 -0.234 1
1 304 . 2 1 1 A 32 32 GLN C C 32 178.072 178.816 -0.744 1
1 305 . 2 1 1 A 32 32 GLN CA C 32 59.764 59.145 0.619 1
1 306 . 2 1 1 A 32 32 GLN CB C 32 27.967 28.208 -0.241 1
1 308 . 2 1 1 A 32 32 GLN N N 32 120.188 117.580 2.608 1
1 310 . 2 1 1 A 33 33 ARG H H 33 7.307 7.727 -0.420 1
1 311 . 2 1 1 A 33 33 ARG HA H 33 4.124 3.946 0.178 1
1 318 . 2 1 1 A 33 33 ARG C C 33 178.441 178.759 -0.318 1
1 319 . 2 1 1 A 33 33 ARG CA C 33 58.665 59.185 -0.520 1
1 320 . 2 1 1 A 33 33 ARG CB C 33 29.859 29.930 -0.071 1
1 323 . 2 1 1 A 33 33 ARG N N 33 118.223 120.139 -1.916 1
1 324 . 2 1 1 A 34 34 THR H H 34 7.731 8.184 -0.453 1
1 325 . 2 1 1 A 34 34 THR HA H 34 4.123 3.933 0.190 1
1 330 . 2 1 1 A 34 34 THR C C 34 175.609 177.120 -1.511 1
1 331 . 2 1 1 A 34 34 THR CA C 34 63.859 65.622 -1.763 1
1 332 . 2 1 1 A 34 34 THR CB C 34 69.118 67.797 1.321 1
1 334 . 2 1 1 A 34 34 THR N N 34 109.975 112.769 -2.794 1
1 335 . 2 1 1 A 35 35 HIS H H 35 7.062 7.925 -0.863 1
1 336 . 2 1 1 A 35 35 HIS HA H 35 4.799 4.278 0.521 1
1 341 . 2 1 1 A 35 35 HIS C C 35 175.092 176.168 -1.076 1
1 342 . 2 1 1 A 35 35 HIS CA C 35 55.122 59.452 -4.330 1
1 343 . 2 1 1 A 35 35 HIS CB C 35 28.756 30.084 -1.328 1
1 346 . 2 1 1 A 35 35 HIS N N 35 118.423 119.543 -1.120 1
1 347 . 2 1 1 A 36 36 ALA H H 36 7.630 7.487 0.143 1
1 348 . 2 1 1 A 36 36 ALA HA H 36 4.347 4.023 0.324 1
1 352 . 2 1 1 A 36 36 ALA C C 36 178.040 177.463 0.577 1
1 353 . 2 1 1 A 36 36 ALA CA C 36 53.136 53.656 -0.520 1
1 354 . 2 1 1 A 36 36 ALA CB C 36 19.243 18.988 0.255 1
1 355 . 2 1 1 A 36 36 ALA N N 36 123.035 120.140 2.895 1
1 356 . 2 1 1 A 37 37 GLY H H 37 8.237 8.523 -0.286 1
1 357 . 2 1 1 A 37 37 GLY HA2 H 37 3.966 4.211 -0.245 1
1 358 . 2 1 1 A 37 37 GLY HA3 H 37 3.966 4.219 -0.253 1
1 359 . 2 1 1 A 37 37 GLY C C 37 174.074 172.100 1.974 1
1 360 . 2 1 1 A 37 37 GLY CA C 37 45.231 45.834 -0.603 1
1 361 . 2 1 1 A 37 37 GLY N N 37 107.712 110.661 -2.949 1
1 362 . 2 1 1 A 38 38 GLU H H 38 8.092 8.451 -0.359 1
1 363 . 2 1 1 A 38 38 GLU HA H 38 4.283 4.752 -0.469 1
1 368 . 2 1 1 A 38 38 GLU C C 38 176.336 175.372 0.964 1
1 369 . 2 1 1 A 38 38 GLU CA C 38 56.392 55.412 0.980 1
1 370 . 2 1 1 A 38 38 GLU CB C 38 30.516 29.877 0.639 1
1 372 . 2 1 1 A 38 38 GLU N N 38 120.352 122.885 -2.533 1
1 373 . 2 1 1 A 39 39 LYS H H 39 8.396 8.270 0.126 1
1 374 . 2 1 1 A 39 39 LYS HA H 39 4.623 4.388 0.235 1
1 383 . 2 1 1 A 39 39 LYS C C 39 174.472 174.610 -0.138 1
1 384 . 2 1 1 A 39 39 LYS CA C 39 54.053 55.121 -1.068 1
1 385 . 2 1 1 A 39 39 LYS CB C 39 32.429 31.860 0.569 1
1 389 . 2 1 1 A 39 39 LYS N N 39 123.622 124.797 -1.175 1
1 390 . 2 1 1 A 40 40 PRO HA H 40 4.467 4.561 -0.094 1
1 397 . 2 1 1 A 40 40 PRO CA C 40 63.263 62.244 1.019 1
1 398 . 2 1 1 A 40 40 PRO CB C 40 32.140 32.644 -0.504 1
1 401 . 2 1 1 A 42 42 GLY HA2 H 42 4.163 4.311 -0.148 1
1 402 . 2 1 1 A 42 42 GLY HA3 H 42 4.097 4.312 -0.215 1
1 403 . 2 1 1 A 42 42 GLY CA C 42 44.650 44.114 0.536 1
1 404 . 2 1 1 A 43 43 PRO HA H 43 4.432 4.348 0.084 1
1 411 . 2 1 1 A 43 43 PRO CA C 43 63.073 63.212 -0.139 1
1 412 . 2 1 1 A 43 43 PRO CB C 43 32.138 32.279 -0.141 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.007 3.976 0.031 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.007 3.977 0.030 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.477 173.840 0.637 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.398 45.083 0.315 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.136 7.789 0.347 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.362 4.749 -0.387 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.239 174.433 0.806 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.653 60.295 1.358 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.822 70.508 -0.686 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.770 116.073 -3.303 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.425 8.500 -0.075 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.967 4.054 -0.087 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.897 4.056 -0.159 1
1 19 . 3 1 1 A 9 9 GLY C C 9 173.998 174.330 -0.332 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.295 45.086 0.209 1
1 21 . 3 1 1 A 9 9 GLY N N 9 110.930 115.485 -4.555 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.184 7.839 0.345 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.190 4.435 -0.245 1
1 28 . 3 1 1 A 10 10 GLU C C 10 175.905 175.413 0.492 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.816 55.376 1.440 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.490 30.099 0.391 1
1 32 . 3 1 1 A 10 10 GLU N N 10 119.839 120.958 -1.119 1
1 33 . 3 1 1 A 11 11 ASN H H 11 8.336 7.649 0.687 1
1 34 . 3 1 1 A 11 11 ASN HA H 11 4.872 5.276 -0.404 1
1 39 . 3 1 1 A 11 11 ASN C C 11 172.608 173.701 -1.093 1
1 40 . 3 1 1 A 11 11 ASN CA C 11 51.221 50.203 1.018 1
1 41 . 3 1 1 A 11 11 ASN CB C 11 39.327 39.515 -0.188 1
1 42 . 3 1 1 A 11 11 ASN N N 11 119.052 120.458 -1.406 1
1 44 . 3 1 1 A 12 12 PRO HA H 12 4.264 4.350 -0.086 1
1 51 . 3 1 1 A 12 12 PRO C C 12 176.384 175.674 0.710 1
1 52 . 3 1 1 A 12 12 PRO CA C 12 63.452 63.975 -0.523 1
1 53 . 3 1 1 A 12 12 PRO CB C 12 32.238 31.406 0.832 1
1 56 . 3 1 1 A 13 13 TYR H H 13 7.915 6.997 0.918 1
1 57 . 3 1 1 A 13 13 TYR HA H 13 4.630 5.169 -0.539 1
1 64 . 3 1 1 A 13 13 TYR C C 13 174.410 174.578 -0.168 1
1 65 . 3 1 1 A 13 13 TYR CA C 13 57.169 56.597 0.572 1
1 66 . 3 1 1 A 13 13 TYR CB C 13 38.062 40.049 -1.987 1
1 71 . 3 1 1 A 13 13 TYR N N 13 118.491 119.110 -0.619 1
1 72 . 3 1 1 A 14 14 GLU H H 14 8.391 9.063 -0.672 1
1 73 . 3 1 1 A 14 14 GLU HA H 14 4.767 5.388 -0.621 1
1 78 . 3 1 1 A 14 14 GLU C C 14 174.879 175.653 -0.774 1
1 79 . 3 1 1 A 14 14 GLU CA C 14 55.103 54.624 0.479 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 32.827 33.058 -0.231 1
1 82 . 3 1 1 A 14 14 GLU N N 14 124.387 124.481 -0.094 1
1 83 . 3 1 1 A 15 15 CYS H H 15 9.266 8.995 0.271 1
1 84 . 3 1 1 A 15 15 CYS HA H 15 4.543 4.683 -0.140 1
1 87 . 3 1 1 A 15 15 CYS C C 15 177.019 176.040 0.979 1
1 88 . 3 1 1 A 15 15 CYS CA C 15 59.235 58.953 0.282 1
1 89 . 3 1 1 A 15 15 CYS CB C 15 29.540 28.073 1.467 1
1 90 . 3 1 1 A 15 15 CYS N N 15 126.125 123.581 2.544 1
1 91 . 3 1 1 A 16 16 HIS HA H 16 4.581 4.487 0.094 1
1 96 . 3 1 1 A 16 16 HIS C C 16 175.444 176.417 -0.973 1
1 97 . 3 1 1 A 16 16 HIS CA C 16 58.116 58.251 -0.135 1
1 98 . 3 1 1 A 16 16 HIS CB C 16 29.448 28.797 0.651 1
1 101 . 3 1 1 A 16 16 HIS N N 16 120.818 125.640 -4.822 1
1 102 . 3 1 1 A 17 17 GLU H H 17 8.532 8.135 0.397 1
1 103 . 3 1 1 A 17 17 GLU HA H 17 4.154 3.730 0.424 1
1 108 . 3 1 1 A 17 17 GLU C C 17 177.167 177.870 -0.703 1
1 109 . 3 1 1 A 17 17 GLU CA C 17 58.373 58.369 0.004 1
1 110 . 3 1 1 A 17 17 GLU CB C 17 29.496 29.901 -0.405 1
1 112 . 3 1 1 A 17 17 GLU N N 17 120.802 120.531 0.271 1
1 113 . 3 1 1 A 18 18 CYS H H 18 7.828 8.065 -0.237 1
1 114 . 3 1 1 A 18 18 CYS HA H 18 5.133 4.702 0.431 1
1 117 . 3 1 1 A 18 18 CYS C C 18 176.064 175.442 0.622 1
1 118 . 3 1 1 A 18 18 CYS CA C 18 58.259 59.773 -1.514 1
1 119 . 3 1 1 A 18 18 CYS CB C 18 32.515 30.012 2.503 1
1 120 . 3 1 1 A 18 18 CYS N N 18 114.288 114.927 -0.639 1
1 121 . 3 1 1 A 19 19 GLY H H 19 8.215 7.863 0.352 1
1 122 . 3 1 1 A 19 19 GLY HA2 H 19 3.863 4.092 -0.229 1
1 123 . 3 1 1 A 19 19 GLY HA3 H 19 4.207 4.111 0.096 1
1 124 . 3 1 1 A 19 19 GLY C C 19 173.989 174.542 -0.553 1
1 125 . 3 1 1 A 19 19 GLY CA C 19 46.144 45.002 1.142 1
1 126 . 3 1 1 A 19 19 GLY N N 19 113.636 109.835 3.801 1
1 127 . 3 1 1 A 20 20 LYS H H 20 7.895 7.433 0.462 1
1 128 . 3 1 1 A 20 20 LYS HA H 20 3.938 4.255 -0.317 1
1 137 . 3 1 1 A 20 20 LYS C C 20 173.489 175.523 -2.034 1
1 138 . 3 1 1 A 20 20 LYS CA C 20 57.884 56.009 1.875 1
1 139 . 3 1 1 A 20 20 LYS CB C 20 33.788 33.832 -0.044 1
1 143 . 3 1 1 A 20 20 LYS N N 20 122.674 122.205 0.469 1
1 144 . 3 1 1 A 21 21 ALA H H 21 7.745 7.995 -0.250 1
1 145 . 3 1 1 A 21 21 ALA HA H 21 5.041 5.353 -0.312 1
1 149 . 3 1 1 A 21 21 ALA C C 21 176.127 174.948 1.179 1
1 150 . 3 1 1 A 21 21 ALA CA C 21 50.368 50.752 -0.384 1
1 151 . 3 1 1 A 21 21 ALA CB C 21 22.257 23.385 -1.128 1
1 152 . 3 1 1 A 21 21 ALA N N 21 123.181 123.915 -0.734 1
1 153 . 3 1 1 A 22 22 PHE H H 22 8.499 9.321 -0.822 1
1 154 . 3 1 1 A 22 22 PHE HA H 22 4.707 4.943 -0.236 1
1 162 . 3 1 1 A 22 22 PHE C C 22 175.514 175.592 -0.078 1
1 163 . 3 1 1 A 22 22 PHE CA C 22 57.024 56.897 0.127 1
1 164 . 3 1 1 A 22 22 PHE CB C 22 43.573 43.224 0.349 1
1 170 . 3 1 1 A 22 22 PHE N N 22 117.063 117.607 -0.544 1
1 171 . 3 1 1 A 23 23 SER H H 23 8.920 8.626 0.294 1
1 172 . 3 1 1 A 23 23 SER HA H 23 4.679 4.491 0.188 1
1 175 . 3 1 1 A 23 23 SER C C 23 174.739 173.995 0.744 1
1 176 . 3 1 1 A 23 23 SER CA C 23 60.211 61.574 -1.363 1
1 177 . 3 1 1 A 23 23 SER CB C 23 64.285 63.461 0.824 1
1 178 . 3 1 1 A 23 23 SER N N 23 115.806 117.541 -1.735 1
1 179 . 3 1 1 A 24 24 ARG H H 24 7.566 7.883 -0.317 1
1 180 . 3 1 1 A 24 24 ARG HA H 24 4.797 4.700 0.097 1
1 187 . 3 1 1 A 24 24 ARG C C 24 176.488 176.700 -0.212 1
1 188 . 3 1 1 A 24 24 ARG CA C 24 53.323 54.284 -0.961 1
1 189 . 3 1 1 A 24 24 ARG CB C 24 33.751 32.226 1.525 1
1 192 . 3 1 1 A 24 24 ARG N N 24 117.138 118.787 -1.649 1
1 193 . 3 1 1 A 25 25 LYS H H 25 8.511 8.471 0.040 1
1 194 . 3 1 1 A 25 25 LYS HA H 25 2.879 2.859 0.020 1
1 203 . 3 1 1 A 25 25 LYS C C 25 178.784 177.457 1.327 1
1 204 . 3 1 1 A 25 25 LYS CA C 25 59.821 58.164 1.657 1
1 205 . 3 1 1 A 25 25 LYS CB C 25 31.540 31.962 -0.422 1
1 209 . 3 1 1 A 25 25 LYS N N 25 116.581 122.856 -6.275 1
1 210 . 3 1 1 A 26 26 TYR H H 26 8.189 8.189 0.000 1
1 211 . 3 1 1 A 26 26 TYR HA H 26 4.155 4.074 0.081 1
1 218 . 3 1 1 A 26 26 TYR C C 26 177.714 178.322 -0.608 1
1 219 . 3 1 1 A 26 26 TYR CA C 26 60.191 60.808 -0.617 1
1 220 . 3 1 1 A 26 26 TYR CB C 26 36.264 37.206 -0.942 1
1 225 . 3 1 1 A 26 26 TYR N N 26 114.321 118.567 -4.246 1
1 226 . 3 1 1 A 27 27 GLN H H 27 6.421 7.420 -0.999 1
1 227 . 3 1 1 A 27 27 GLN HA H 27 3.781 3.186 0.595 1
1 234 . 3 1 1 A 27 27 GLN C C 27 178.492 177.197 1.295 1
1 235 . 3 1 1 A 27 27 GLN CA C 27 57.318 57.971 -0.653 1
1 236 . 3 1 1 A 27 27 GLN CB C 27 28.324 28.095 0.229 1
1 238 . 3 1 1 A 27 27 GLN N N 27 119.701 120.824 -1.123 1
1 240 . 3 1 1 A 28 28 LEU H H 28 6.727 7.292 -0.565 1
1 241 . 3 1 1 A 28 28 LEU HA H 28 3.340 1.906 1.434 1
1 251 . 3 1 1 A 28 28 LEU C C 28 177.564 177.900 -0.336 1
1 252 . 3 1 1 A 28 28 LEU CA C 28 57.865 56.360 1.505 1
1 253 . 3 1 1 A 28 28 LEU CB C 28 40.440 41.990 -1.550 1
1 257 . 3 1 1 A 28 28 LEU N N 28 121.434 120.560 0.874 1
1 258 . 3 1 1 A 29 29 ILE H H 29 7.970 7.512 0.458 1
1 259 . 3 1 1 A 29 29 ILE HA H 29 3.741 3.461 0.280 1
1 269 . 3 1 1 A 29 29 ILE C C 29 179.163 177.844 1.319 1
1 270 . 3 1 1 A 29 29 ILE CA C 29 64.518 65.295 -0.777 1
1 271 . 3 1 1 A 29 29 ILE CB C 29 37.255 37.514 -0.259 1
1 275 . 3 1 1 A 29 29 ILE N N 29 119.312 120.416 -1.104 1
1 276 . 3 1 1 A 30 30 SER H H 30 7.665 7.990 -0.325 1
1 277 . 3 1 1 A 30 30 SER HA H 30 4.091 4.076 0.015 1
1 280 . 3 1 1 A 30 30 SER C C 30 177.361 176.829 0.532 1
1 281 . 3 1 1 A 30 30 SER CA C 30 61.460 60.824 0.636 1
1 282 . 3 1 1 A 30 30 SER CB C 30 62.526 63.067 -0.541 1
1 283 . 3 1 1 A 30 30 SER N N 30 113.605 115.185 -1.580 1
1 284 . 3 1 1 A 31 31 HIS H H 31 7.600 7.500 0.100 1
1 285 . 3 1 1 A 31 31 HIS HA H 31 4.237 4.325 -0.088 1
1 290 . 3 1 1 A 31 31 HIS C C 31 177.843 177.442 0.401 1
1 291 . 3 1 1 A 31 31 HIS CA C 31 59.125 59.334 -0.209 1
1 292 . 3 1 1 A 31 31 HIS CB C 31 28.478 29.841 -1.363 1
1 295 . 3 1 1 A 31 31 HIS N N 31 120.473 120.994 -0.521 1
1 296 . 3 1 1 A 32 32 GLN H H 32 8.815 8.242 0.573 1
1 297 . 3 1 1 A 32 32 GLN HA H 32 3.691 3.993 -0.302 1
1 304 . 3 1 1 A 32 32 GLN C C 32 178.072 178.831 -0.759 1
1 305 . 3 1 1 A 32 32 GLN CA C 32 59.764 59.100 0.664 1
1 306 . 3 1 1 A 32 32 GLN CB C 32 27.967 28.285 -0.318 1
1 308 . 3 1 1 A 32 32 GLN N N 32 120.188 117.613 2.575 1
1 310 . 3 1 1 A 33 33 ARG H H 33 7.307 7.803 -0.496 1
1 311 . 3 1 1 A 33 33 ARG HA H 33 4.124 4.005 0.119 1
1 318 . 3 1 1 A 33 33 ARG C C 33 178.441 178.843 -0.402 1
1 319 . 3 1 1 A 33 33 ARG CA C 33 58.665 59.182 -0.517 1
1 320 . 3 1 1 A 33 33 ARG CB C 33 29.859 29.942 -0.083 1
1 323 . 3 1 1 A 33 33 ARG N N 33 118.223 120.557 -2.334 1
1 324 . 3 1 1 A 34 34 THR H H 34 7.731 8.269 -0.538 1
1 325 . 3 1 1 A 34 34 THR HA H 34 4.123 3.942 0.181 1
1 330 . 3 1 1 A 34 34 THR C C 34 175.609 177.137 -1.528 1
1 331 . 3 1 1 A 34 34 THR CA C 34 63.859 65.641 -1.782 1
1 332 . 3 1 1 A 34 34 THR CB C 34 69.118 67.771 1.347 1
1 334 . 3 1 1 A 34 34 THR N N 34 109.975 113.112 -3.137 1
1 335 . 3 1 1 A 35 35 HIS H H 35 7.062 7.917 -0.855 1
1 336 . 3 1 1 A 35 35 HIS HA H 35 4.799 4.299 0.500 1
1 341 . 3 1 1 A 35 35 HIS C C 35 175.092 176.204 -1.112 1
1 342 . 3 1 1 A 35 35 HIS CA C 35 55.122 59.326 -4.204 1
1 343 . 3 1 1 A 35 35 HIS CB C 35 28.756 29.989 -1.233 1
1 346 . 3 1 1 A 35 35 HIS N N 35 118.423 119.243 -0.820 1
1 347 . 3 1 1 A 36 36 ALA H H 36 7.630 7.500 0.130 1
1 348 . 3 1 1 A 36 36 ALA HA H 36 4.347 3.996 0.351 1
1 352 . 3 1 1 A 36 36 ALA C C 36 178.040 177.201 0.839 1
1 353 . 3 1 1 A 36 36 ALA CA C 36 53.136 53.591 -0.455 1
1 354 . 3 1 1 A 36 36 ALA CB C 36 19.243 19.085 0.158 1
1 355 . 3 1 1 A 36 36 ALA N N 36 123.035 120.344 2.691 1
1 356 . 3 1 1 A 37 37 GLY H H 37 8.237 8.419 -0.182 1
1 357 . 3 1 1 A 37 37 GLY HA2 H 37 3.966 4.102 -0.136 1
1 358 . 3 1 1 A 37 37 GLY HA3 H 37 3.966 4.107 -0.141 1
1 359 . 3 1 1 A 37 37 GLY C C 37 174.074 173.970 0.104 1
1 360 . 3 1 1 A 37 37 GLY CA C 37 45.231 45.963 -0.732 1
1 361 . 3 1 1 A 37 37 GLY N N 37 107.712 110.260 -2.548 1
1 362 . 3 1 1 A 38 38 GLU H H 38 8.092 7.851 0.241 1
1 363 . 3 1 1 A 38 38 GLU HA H 38 4.283 4.827 -0.544 1
1 368 . 3 1 1 A 38 38 GLU C C 38 176.336 174.890 1.446 1
1 369 . 3 1 1 A 38 38 GLU CA C 38 56.392 54.671 1.721 1
1 370 . 3 1 1 A 38 38 GLU CB C 38 30.516 33.866 -3.350 1
1 372 . 3 1 1 A 38 38 GLU N N 38 120.352 117.201 3.151 1
1 373 . 3 1 1 A 39 39 LYS H H 39 8.396 8.427 -0.031 1
1 374 . 3 1 1 A 39 39 LYS HA H 39 4.623 4.768 -0.145 1
1 383 . 3 1 1 A 39 39 LYS C C 39 174.472 176.415 -1.943 1
1 384 . 3 1 1 A 39 39 LYS CA C 39 54.053 53.335 0.718 1
1 385 . 3 1 1 A 39 39 LYS CB C 39 32.429 33.333 -0.904 1
1 389 . 3 1 1 A 39 39 LYS N N 39 123.622 122.679 0.943 1
1 390 . 3 1 1 A 40 40 PRO HA H 40 4.467 4.484 -0.017 1
1 397 . 3 1 1 A 40 40 PRO CA C 40 63.263 63.852 -0.589 1
1 398 . 3 1 1 A 40 40 PRO CB C 40 32.140 31.709 0.431 1
1 401 . 3 1 1 A 42 42 GLY HA2 H 42 4.163 4.164 -0.001 1
1 402 . 3 1 1 A 42 42 GLY HA3 H 42 4.097 4.164 -0.067 1
1 403 . 3 1 1 A 42 42 GLY CA C 42 44.650 43.823 0.827 1
1 404 . 3 1 1 A 43 43 PRO HA H 43 4.432 4.726 -0.294 1
1 411 . 3 1 1 A 43 43 PRO CA C 43 63.073 62.421 0.652 1
1 412 . 3 1 1 A 43 43 PRO CB C 43 32.138 29.677 2.461 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.007 4.147 -0.140 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.007 4.149 -0.142 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.477 171.713 2.764 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.398 44.382 1.016 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.136 8.430 -0.294 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.362 5.168 -0.806 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.239 173.427 1.812 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.653 59.543 2.110 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.822 72.049 -2.227 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.770 113.930 -1.160 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.425 8.460 -0.035 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.967 4.137 -0.170 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.897 4.142 -0.245 1
1 19 . 4 1 1 A 9 9 GLY C C 9 173.998 171.907 2.091 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.295 45.613 -0.318 1
1 21 . 4 1 1 A 9 9 GLY N N 9 110.930 108.074 2.856 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.184 8.434 -0.250 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.190 4.627 -0.437 1
1 28 . 4 1 1 A 10 10 GLU C C 10 175.905 175.760 0.145 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.816 55.682 1.134 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.490 28.450 2.040 1
1 32 . 4 1 1 A 10 10 GLU N N 10 119.839 119.352 0.487 1
1 33 . 4 1 1 A 11 11 ASN H H 11 8.336 7.991 0.345 1
1 34 . 4 1 1 A 11 11 ASN HA H 11 4.872 5.233 -0.361 1
1 39 . 4 1 1 A 11 11 ASN C C 11 172.608 174.652 -2.044 1
1 40 . 4 1 1 A 11 11 ASN CA C 11 51.221 50.719 0.502 1
1 41 . 4 1 1 A 11 11 ASN CB C 11 39.327 38.655 0.672 1
1 42 . 4 1 1 A 11 11 ASN N N 11 119.052 119.503 -0.451 1
1 44 . 4 1 1 A 12 12 PRO HA H 12 4.264 4.414 -0.150 1
1 51 . 4 1 1 A 12 12 PRO C C 12 176.384 175.680 0.704 1
1 52 . 4 1 1 A 12 12 PRO CA C 12 63.452 64.135 -0.683 1
1 53 . 4 1 1 A 12 12 PRO CB C 12 32.238 31.450 0.788 1
1 56 . 4 1 1 A 13 13 TYR H H 13 7.915 7.009 0.906 1
1 57 . 4 1 1 A 13 13 TYR HA H 13 4.630 5.229 -0.599 1
1 64 . 4 1 1 A 13 13 TYR C C 13 174.410 174.736 -0.326 1
1 65 . 4 1 1 A 13 13 TYR CA C 13 57.169 56.632 0.537 1
1 66 . 4 1 1 A 13 13 TYR CB C 13 38.062 40.104 -2.042 1
1 71 . 4 1 1 A 13 13 TYR N N 13 118.491 119.001 -0.510 1
1 72 . 4 1 1 A 14 14 GLU H H 14 8.391 8.997 -0.606 1
1 73 . 4 1 1 A 14 14 GLU HA H 14 4.767 5.332 -0.565 1
1 78 . 4 1 1 A 14 14 GLU C C 14 174.879 175.657 -0.778 1
1 79 . 4 1 1 A 14 14 GLU CA C 14 55.103 54.630 0.473 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 32.827 32.942 -0.115 1
1 82 . 4 1 1 A 14 14 GLU N N 14 124.387 124.117 0.270 1
1 83 . 4 1 1 A 15 15 CYS H H 15 9.266 9.096 0.170 1
1 84 . 4 1 1 A 15 15 CYS HA H 15 4.543 4.554 -0.011 1
1 87 . 4 1 1 A 15 15 CYS C C 15 177.019 176.573 0.446 1
1 88 . 4 1 1 A 15 15 CYS CA C 15 59.235 59.429 -0.194 1
1 89 . 4 1 1 A 15 15 CYS CB C 15 29.540 28.208 1.332 1
1 90 . 4 1 1 A 15 15 CYS N N 15 126.125 123.938 2.187 1
1 91 . 4 1 1 A 16 16 HIS HA H 16 4.581 4.594 -0.013 1
1 96 . 4 1 1 A 16 16 HIS C C 16 175.444 174.681 0.763 1
1 97 . 4 1 1 A 16 16 HIS CA C 16 58.116 56.352 1.764 1
1 98 . 4 1 1 A 16 16 HIS CB C 16 29.448 29.759 -0.311 1
1 101 . 4 1 1 A 16 16 HIS N N 16 120.818 124.225 -3.407 1
1 102 . 4 1 1 A 17 17 GLU H H 17 8.532 7.960 0.572 1
1 103 . 4 1 1 A 17 17 GLU HA H 17 4.154 4.386 -0.232 1
1 108 . 4 1 1 A 17 17 GLU C C 17 177.167 177.775 -0.608 1
1 109 . 4 1 1 A 17 17 GLU CA C 17 58.373 57.245 1.128 1
1 110 . 4 1 1 A 17 17 GLU CB C 17 29.496 31.490 -1.994 1
1 112 . 4 1 1 A 17 17 GLU N N 17 120.802 117.262 3.540 1
1 113 . 4 1 1 A 18 18 CYS H H 18 7.828 8.109 -0.281 1
1 114 . 4 1 1 A 18 18 CYS HA H 18 5.133 4.685 0.448 1
1 117 . 4 1 1 A 18 18 CYS C C 18 176.064 175.414 0.650 1
1 118 . 4 1 1 A 18 18 CYS CA C 18 58.259 59.670 -1.411 1
1 119 . 4 1 1 A 18 18 CYS CB C 18 32.515 29.931 2.584 1
1 120 . 4 1 1 A 18 18 CYS N N 18 114.288 114.661 -0.373 1
1 121 . 4 1 1 A 19 19 GLY H H 19 8.215 7.984 0.231 1
1 122 . 4 1 1 A 19 19 GLY HA2 H 19 3.863 4.072 -0.209 1
1 123 . 4 1 1 A 19 19 GLY HA3 H 19 4.207 4.081 0.126 1
1 124 . 4 1 1 A 19 19 GLY C C 19 173.989 174.572 -0.583 1
1 125 . 4 1 1 A 19 19 GLY CA C 19 46.144 45.121 1.023 1
1 126 . 4 1 1 A 19 19 GLY N N 19 113.636 109.850 3.786 1
1 127 . 4 1 1 A 20 20 LYS H H 20 7.895 7.920 -0.025 1
1 128 . 4 1 1 A 20 20 LYS HA H 20 3.938 4.277 -0.339 1
1 137 . 4 1 1 A 20 20 LYS C C 20 173.489 175.374 -1.885 1
1 138 . 4 1 1 A 20 20 LYS CA C 20 57.884 55.752 2.132 1
1 139 . 4 1 1 A 20 20 LYS CB C 20 33.788 33.804 -0.016 1
1 143 . 4 1 1 A 20 20 LYS N N 20 122.674 121.826 0.848 1
1 144 . 4 1 1 A 21 21 ALA H H 21 7.745 7.904 -0.159 1
1 145 . 4 1 1 A 21 21 ALA HA H 21 5.041 5.379 -0.338 1
1 149 . 4 1 1 A 21 21 ALA C C 21 176.127 175.031 1.096 1
1 150 . 4 1 1 A 21 21 ALA CA C 21 50.368 50.604 -0.236 1
1 151 . 4 1 1 A 21 21 ALA CB C 21 22.257 23.371 -1.114 1
1 152 . 4 1 1 A 21 21 ALA N N 21 123.181 123.931 -0.750 1
1 153 . 4 1 1 A 22 22 PHE H H 22 8.499 9.308 -0.809 1
1 154 . 4 1 1 A 22 22 PHE HA H 22 4.707 4.963 -0.256 1
1 162 . 4 1 1 A 22 22 PHE C C 22 175.514 175.776 -0.262 1
1 163 . 4 1 1 A 22 22 PHE CA C 22 57.024 56.810 0.214 1
1 164 . 4 1 1 A 22 22 PHE CB C 22 43.573 43.297 0.276 1
1 170 . 4 1 1 A 22 22 PHE N N 22 117.063 117.465 -0.402 1
1 171 . 4 1 1 A 23 23 SER H H 23 8.920 8.412 0.508 1
1 172 . 4 1 1 A 23 23 SER HA H 23 4.679 4.564 0.115 1
1 175 . 4 1 1 A 23 23 SER C C 23 174.739 175.070 -0.331 1
1 176 . 4 1 1 A 23 23 SER CA C 23 60.211 61.493 -1.282 1
1 177 . 4 1 1 A 23 23 SER CB C 23 64.285 63.804 0.481 1
1 178 . 4 1 1 A 23 23 SER N N 23 115.806 116.054 -0.248 1
1 179 . 4 1 1 A 24 24 ARG H H 24 7.566 7.980 -0.414 1
1 180 . 4 1 1 A 24 24 ARG HA H 24 4.797 4.661 0.136 1
1 187 . 4 1 1 A 24 24 ARG C C 24 176.488 176.520 -0.032 1
1 188 . 4 1 1 A 24 24 ARG CA C 24 53.323 54.265 -0.942 1
1 189 . 4 1 1 A 24 24 ARG CB C 24 33.751 31.980 1.771 1
1 192 . 4 1 1 A 24 24 ARG N N 24 117.138 119.353 -2.215 1
1 193 . 4 1 1 A 25 25 LYS H H 25 8.511 8.421 0.090 1
1 194 . 4 1 1 A 25 25 LYS HA H 25 2.879 2.838 0.041 1
1 203 . 4 1 1 A 25 25 LYS C C 25 178.784 177.350 1.434 1
1 204 . 4 1 1 A 25 25 LYS CA C 25 59.821 58.442 1.379 1
1 205 . 4 1 1 A 25 25 LYS CB C 25 31.540 31.995 -0.455 1
1 209 . 4 1 1 A 25 25 LYS N N 25 116.581 123.237 -6.656 1
1 210 . 4 1 1 A 26 26 TYR H H 26 8.189 8.010 0.179 1
1 211 . 4 1 1 A 26 26 TYR HA H 26 4.155 4.098 0.057 1
1 218 . 4 1 1 A 26 26 TYR C C 26 177.714 178.171 -0.457 1
1 219 . 4 1 1 A 26 26 TYR CA C 26 60.191 60.743 -0.552 1
1 220 . 4 1 1 A 26 26 TYR CB C 26 36.264 37.185 -0.921 1
1 225 . 4 1 1 A 26 26 TYR N N 26 114.321 118.574 -4.253 1
1 226 . 4 1 1 A 27 27 GLN H H 27 6.421 7.423 -1.002 1
1 227 . 4 1 1 A 27 27 GLN HA H 27 3.781 3.151 0.630 1
1 234 . 4 1 1 A 27 27 GLN C C 27 178.492 177.058 1.434 1
1 235 . 4 1 1 A 27 27 GLN CA C 27 57.318 57.956 -0.638 1
1 236 . 4 1 1 A 27 27 GLN CB C 27 28.324 28.096 0.228 1
1 238 . 4 1 1 A 27 27 GLN N N 27 119.701 120.788 -1.087 1
1 240 . 4 1 1 A 28 28 LEU H H 28 6.727 7.361 -0.634 1
1 241 . 4 1 1 A 28 28 LEU HA H 28 3.340 1.930 1.410 1
1 251 . 4 1 1 A 28 28 LEU C C 28 177.564 177.785 -0.221 1
1 252 . 4 1 1 A 28 28 LEU CA C 28 57.865 56.242 1.623 1
1 253 . 4 1 1 A 28 28 LEU CB C 28 40.440 42.054 -1.614 1
1 257 . 4 1 1 A 28 28 LEU N N 28 121.434 120.449 0.985 1
1 258 . 4 1 1 A 29 29 ILE H H 29 7.970 7.565 0.405 1
1 259 . 4 1 1 A 29 29 ILE HA H 29 3.741 3.471 0.270 1
1 269 . 4 1 1 A 29 29 ILE C C 29 179.163 177.867 1.296 1
1 270 . 4 1 1 A 29 29 ILE CA C 29 64.518 65.236 -0.718 1
1 271 . 4 1 1 A 29 29 ILE CB C 29 37.255 37.517 -0.262 1
1 275 . 4 1 1 A 29 29 ILE N N 29 119.312 120.348 -1.036 1
1 276 . 4 1 1 A 30 30 SER H H 30 7.665 8.006 -0.341 1
1 277 . 4 1 1 A 30 30 SER HA H 30 4.091 4.082 0.009 1
1 280 . 4 1 1 A 30 30 SER C C 30 177.361 176.807 0.554 1
1 281 . 4 1 1 A 30 30 SER CA C 30 61.460 60.611 0.849 1
1 282 . 4 1 1 A 30 30 SER CB C 30 62.526 63.081 -0.555 1
1 283 . 4 1 1 A 30 30 SER N N 30 113.605 115.345 -1.740 1
1 284 . 4 1 1 A 31 31 HIS H H 31 7.600 7.384 0.216 1
1 285 . 4 1 1 A 31 31 HIS HA H 31 4.237 4.279 -0.042 1
1 290 . 4 1 1 A 31 31 HIS C C 31 177.843 177.483 0.360 1
1 291 . 4 1 1 A 31 31 HIS CA C 31 59.125 59.466 -0.341 1
1 292 . 4 1 1 A 31 31 HIS CB C 31 28.478 29.880 -1.402 1
1 295 . 4 1 1 A 31 31 HIS N N 31 120.473 120.413 0.060 1
1 296 . 4 1 1 A 32 32 GLN H H 32 8.815 8.152 0.663 1
1 297 . 4 1 1 A 32 32 GLN HA H 32 3.691 3.920 -0.229 1
1 304 . 4 1 1 A 32 32 GLN C C 32 178.072 178.433 -0.361 1
1 305 . 4 1 1 A 32 32 GLN CA C 32 59.764 59.079 0.685 1
1 306 . 4 1 1 A 32 32 GLN CB C 32 27.967 28.269 -0.302 1
1 308 . 4 1 1 A 32 32 GLN N N 32 120.188 117.962 2.226 1
1 310 . 4 1 1 A 33 33 ARG H H 33 7.307 7.721 -0.414 1
1 311 . 4 1 1 A 33 33 ARG HA H 33 4.124 4.085 0.039 1
1 318 . 4 1 1 A 33 33 ARG C C 33 178.441 178.768 -0.327 1
1 319 . 4 1 1 A 33 33 ARG CA C 33 58.665 59.228 -0.563 1
1 320 . 4 1 1 A 33 33 ARG CB C 33 29.859 30.128 -0.269 1
1 323 . 4 1 1 A 33 33 ARG N N 33 118.223 119.990 -1.767 1
1 324 . 4 1 1 A 34 34 THR H H 34 7.731 8.196 -0.465 1
1 325 . 4 1 1 A 34 34 THR HA H 34 4.123 3.920 0.203 1
1 330 . 4 1 1 A 34 34 THR C C 34 175.609 177.140 -1.531 1
1 331 . 4 1 1 A 34 34 THR CA C 34 63.859 65.548 -1.689 1
1 332 . 4 1 1 A 34 34 THR CB C 34 69.118 67.776 1.342 1
1 334 . 4 1 1 A 34 34 THR N N 34 109.975 113.047 -3.072 1
1 335 . 4 1 1 A 35 35 HIS H H 35 7.062 7.647 -0.585 1
1 336 . 4 1 1 A 35 35 HIS HA H 35 4.799 4.281 0.518 1
1 341 . 4 1 1 A 35 35 HIS C C 35 175.092 176.192 -1.100 1
1 342 . 4 1 1 A 35 35 HIS CA C 35 55.122 59.504 -4.382 1
1 343 . 4 1 1 A 35 35 HIS CB C 35 28.756 30.291 -1.535 1
1 346 . 4 1 1 A 35 35 HIS N N 35 118.423 119.432 -1.009 1
1 347 . 4 1 1 A 36 36 ALA H H 36 7.630 7.682 -0.052 1
1 348 . 4 1 1 A 36 36 ALA HA H 36 4.347 3.985 0.362 1
1 352 . 4 1 1 A 36 36 ALA C C 36 178.040 177.366 0.674 1
1 353 . 4 1 1 A 36 36 ALA CA C 36 53.136 53.791 -0.655 1
1 354 . 4 1 1 A 36 36 ALA CB C 36 19.243 18.932 0.311 1
1 355 . 4 1 1 A 36 36 ALA N N 36 123.035 120.193 2.842 1
1 356 . 4 1 1 A 37 37 GLY H H 37 8.237 8.381 -0.144 1
1 357 . 4 1 1 A 37 37 GLY HA2 H 37 3.966 4.074 -0.108 1
1 358 . 4 1 1 A 37 37 GLY HA3 H 37 3.966 4.078 -0.112 1
1 359 . 4 1 1 A 37 37 GLY C C 37 174.074 173.826 0.248 1
1 360 . 4 1 1 A 37 37 GLY CA C 37 45.231 46.130 -0.899 1
1 361 . 4 1 1 A 37 37 GLY N N 37 107.712 110.068 -2.356 1
1 362 . 4 1 1 A 38 38 GLU H H 38 8.092 7.919 0.173 1
1 363 . 4 1 1 A 38 38 GLU HA H 38 4.283 4.331 -0.048 1
1 368 . 4 1 1 A 38 38 GLU C C 38 176.336 176.392 -0.056 1
1 369 . 4 1 1 A 38 38 GLU CA C 38 56.392 56.399 -0.007 1
1 370 . 4 1 1 A 38 38 GLU CB C 38 30.516 29.295 1.221 1
1 372 . 4 1 1 A 38 38 GLU N N 38 120.352 118.756 1.596 1
1 373 . 4 1 1 A 39 39 LYS H H 39 8.396 8.659 -0.263 1
1 374 . 4 1 1 A 39 39 LYS HA H 39 4.623 4.783 -0.160 1
1 383 . 4 1 1 A 39 39 LYS C C 39 174.472 173.861 0.611 1
1 384 . 4 1 1 A 39 39 LYS CA C 39 54.053 52.872 1.181 1
1 385 . 4 1 1 A 39 39 LYS CB C 39 32.429 33.952 -1.523 1
1 389 . 4 1 1 A 39 39 LYS N N 39 123.622 125.637 -2.015 1
1 390 . 4 1 1 A 40 40 PRO HA H 40 4.467 4.603 -0.136 1
1 397 . 4 1 1 A 40 40 PRO CA C 40 63.263 62.309 0.954 1
1 398 . 4 1 1 A 40 40 PRO CB C 40 32.140 32.455 -0.315 1
1 401 . 4 1 1 A 42 42 GLY HA2 H 42 4.163 4.096 0.067 1
1 402 . 4 1 1 A 42 42 GLY HA3 H 42 4.097 4.096 0.001 1
1 403 . 4 1 1 A 42 42 GLY CA C 42 44.650 45.495 -0.845 1
1 404 . 4 1 1 A 43 43 PRO HA H 43 4.432 4.555 -0.123 1
1 411 . 4 1 1 A 43 43 PRO CA C 43 63.073 62.689 0.384 1
1 412 . 4 1 1 A 43 43 PRO CB C 43 32.138 30.439 1.699 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.007 4.141 -0.134 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.007 4.143 -0.136 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.477 172.301 2.176 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.398 45.914 -0.516 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.136 8.502 -0.366 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.362 5.272 -0.910 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.239 173.450 1.789 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.653 60.527 1.126 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.822 70.625 -0.803 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.770 112.093 0.677 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.425 8.998 -0.573 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.967 4.362 -0.395 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.897 4.366 -0.469 1
1 19 . 5 1 1 A 9 9 GLY C C 9 173.998 172.574 1.424 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.295 44.440 0.855 1
1 21 . 5 1 1 A 9 9 GLY N N 9 110.930 111.455 -0.525 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.184 8.710 -0.526 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.190 4.322 -0.132 1
1 28 . 5 1 1 A 10 10 GLU C C 10 175.905 175.097 0.808 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.816 55.435 1.381 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.490 27.967 2.523 1
1 32 . 5 1 1 A 10 10 GLU N N 10 119.839 123.446 -3.607 1
1 33 . 5 1 1 A 11 11 ASN H H 11 8.336 7.845 0.491 1
1 34 . 5 1 1 A 11 11 ASN HA H 11 4.872 5.296 -0.424 1
1 39 . 5 1 1 A 11 11 ASN C C 11 172.608 173.835 -1.227 1
1 40 . 5 1 1 A 11 11 ASN CA C 11 51.221 50.173 1.048 1
1 41 . 5 1 1 A 11 11 ASN CB C 11 39.327 39.438 -0.111 1
1 42 . 5 1 1 A 11 11 ASN N N 11 119.052 121.130 -2.078 1
1 44 . 5 1 1 A 12 12 PRO HA H 12 4.264 4.364 -0.100 1
1 51 . 5 1 1 A 12 12 PRO C C 12 176.384 175.679 0.705 1
1 52 . 5 1 1 A 12 12 PRO CA C 12 63.452 63.995 -0.543 1
1 53 . 5 1 1 A 12 12 PRO CB C 12 32.238 31.426 0.812 1
1 56 . 5 1 1 A 13 13 TYR H H 13 7.915 7.043 0.872 1
1 57 . 5 1 1 A 13 13 TYR HA H 13 4.630 5.146 -0.516 1
1 64 . 5 1 1 A 13 13 TYR C C 13 174.410 174.490 -0.080 1
1 65 . 5 1 1 A 13 13 TYR CA C 13 57.169 56.605 0.564 1
1 66 . 5 1 1 A 13 13 TYR CB C 13 38.062 39.911 -1.849 1
1 71 . 5 1 1 A 13 13 TYR N N 13 118.491 118.960 -0.469 1
1 72 . 5 1 1 A 14 14 GLU H H 14 8.391 9.019 -0.628 1
1 73 . 5 1 1 A 14 14 GLU HA H 14 4.767 5.367 -0.600 1
1 78 . 5 1 1 A 14 14 GLU C C 14 174.879 175.675 -0.796 1
1 79 . 5 1 1 A 14 14 GLU CA C 14 55.103 54.809 0.294 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 32.827 32.972 -0.145 1
1 82 . 5 1 1 A 14 14 GLU N N 14 124.387 124.361 0.026 1
1 83 . 5 1 1 A 15 15 CYS H H 15 9.266 9.205 0.061 1
1 84 . 5 1 1 A 15 15 CYS HA H 15 4.543 4.454 0.089 1
1 87 . 5 1 1 A 15 15 CYS C C 15 177.019 176.703 0.316 1
1 88 . 5 1 1 A 15 15 CYS CA C 15 59.235 59.394 -0.159 1
1 89 . 5 1 1 A 15 15 CYS CB C 15 29.540 28.309 1.231 1
1 90 . 5 1 1 A 15 15 CYS N N 15 126.125 123.493 2.632 1
1 91 . 5 1 1 A 16 16 HIS HA H 16 4.581 4.584 -0.003 1
1 96 . 5 1 1 A 16 16 HIS C C 16 175.444 174.686 0.758 1
1 97 . 5 1 1 A 16 16 HIS CA C 16 58.116 56.904 1.212 1
1 98 . 5 1 1 A 16 16 HIS CB C 16 29.448 29.868 -0.420 1
1 101 . 5 1 1 A 16 16 HIS N N 16 120.818 124.935 -4.117 1
1 102 . 5 1 1 A 17 17 GLU H H 17 8.532 7.906 0.626 1
1 103 . 5 1 1 A 17 17 GLU HA H 17 4.154 4.420 -0.266 1
1 108 . 5 1 1 A 17 17 GLU C C 17 177.167 177.735 -0.568 1
1 109 . 5 1 1 A 17 17 GLU CA C 17 58.373 57.202 1.171 1
1 110 . 5 1 1 A 17 17 GLU CB C 17 29.496 31.171 -1.675 1
1 112 . 5 1 1 A 17 17 GLU N N 17 120.802 117.394 3.408 1
1 113 . 5 1 1 A 18 18 CYS H H 18 7.828 8.163 -0.335 1
1 114 . 5 1 1 A 18 18 CYS HA H 18 5.133 4.629 0.504 1
1 117 . 5 1 1 A 18 18 CYS C C 18 176.064 175.228 0.836 1
1 118 . 5 1 1 A 18 18 CYS CA C 18 58.259 59.647 -1.388 1
1 119 . 5 1 1 A 18 18 CYS CB C 18 32.515 29.799 2.716 1
1 120 . 5 1 1 A 18 18 CYS N N 18 114.288 114.769 -0.481 1
1 121 . 5 1 1 A 19 19 GLY H H 19 8.215 7.994 0.221 1
1 122 . 5 1 1 A 19 19 GLY HA2 H 19 3.863 4.074 -0.211 1
1 123 . 5 1 1 A 19 19 GLY HA3 H 19 4.207 4.083 0.124 1
1 124 . 5 1 1 A 19 19 GLY C C 19 173.989 174.590 -0.601 1
1 125 . 5 1 1 A 19 19 GLY CA C 19 46.144 45.082 1.062 1
1 126 . 5 1 1 A 19 19 GLY N N 19 113.636 110.263 3.373 1
1 127 . 5 1 1 A 20 20 LYS H H 20 7.895 7.485 0.410 1
1 128 . 5 1 1 A 20 20 LYS HA H 20 3.938 4.264 -0.326 1
1 137 . 5 1 1 A 20 20 LYS C C 20 173.489 175.344 -1.855 1
1 138 . 5 1 1 A 20 20 LYS CA C 20 57.884 55.810 2.074 1
1 139 . 5 1 1 A 20 20 LYS CB C 20 33.788 33.685 0.103 1
1 143 . 5 1 1 A 20 20 LYS N N 20 122.674 121.974 0.700 1
1 144 . 5 1 1 A 21 21 ALA H H 21 7.745 7.905 -0.160 1
1 145 . 5 1 1 A 21 21 ALA HA H 21 5.041 5.398 -0.357 1
1 149 . 5 1 1 A 21 21 ALA C C 21 176.127 175.045 1.082 1
1 150 . 5 1 1 A 21 21 ALA CA C 21 50.368 50.471 -0.103 1
1 151 . 5 1 1 A 21 21 ALA CB C 21 22.257 23.394 -1.137 1
1 152 . 5 1 1 A 21 21 ALA N N 21 123.181 124.349 -1.168 1
1 153 . 5 1 1 A 22 22 PHE H H 22 8.499 9.189 -0.690 1
1 154 . 5 1 1 A 22 22 PHE HA H 22 4.707 4.927 -0.220 1
1 162 . 5 1 1 A 22 22 PHE C C 22 175.514 175.910 -0.396 1
1 163 . 5 1 1 A 22 22 PHE CA C 22 57.024 56.972 0.052 1
1 164 . 5 1 1 A 22 22 PHE CB C 22 43.573 43.242 0.331 1
1 170 . 5 1 1 A 22 22 PHE N N 22 117.063 117.430 -0.367 1
1 171 . 5 1 1 A 23 23 SER H H 23 8.920 8.439 0.481 1
1 172 . 5 1 1 A 23 23 SER HA H 23 4.679 4.487 0.192 1
1 175 . 5 1 1 A 23 23 SER C C 23 174.739 174.826 -0.087 1
1 176 . 5 1 1 A 23 23 SER CA C 23 60.211 61.760 -1.549 1
1 177 . 5 1 1 A 23 23 SER CB C 23 64.285 63.563 0.722 1
1 178 . 5 1 1 A 23 23 SER N N 23 115.806 116.045 -0.239 1
1 179 . 5 1 1 A 24 24 ARG H H 24 7.566 7.995 -0.429 1
1 180 . 5 1 1 A 24 24 ARG HA H 24 4.797 4.631 0.166 1
1 187 . 5 1 1 A 24 24 ARG C C 24 176.488 176.593 -0.105 1
1 188 . 5 1 1 A 24 24 ARG CA C 24 53.323 54.190 -0.867 1
1 189 . 5 1 1 A 24 24 ARG CB C 24 33.751 31.994 1.757 1
1 192 . 5 1 1 A 24 24 ARG N N 24 117.138 119.319 -2.181 1
1 193 . 5 1 1 A 25 25 LYS H H 25 8.511 8.410 0.101 1
1 194 . 5 1 1 A 25 25 LYS HA H 25 2.879 2.887 -0.008 1
1 203 . 5 1 1 A 25 25 LYS C C 25 178.784 177.315 1.469 1
1 204 . 5 1 1 A 25 25 LYS CA C 25 59.821 58.422 1.399 1
1 205 . 5 1 1 A 25 25 LYS CB C 25 31.540 31.997 -0.457 1
1 209 . 5 1 1 A 25 25 LYS N N 25 116.581 123.186 -6.605 1
1 210 . 5 1 1 A 26 26 TYR H H 26 8.189 8.199 -0.010 1
1 211 . 5 1 1 A 26 26 TYR HA H 26 4.155 4.070 0.085 1
1 218 . 5 1 1 A 26 26 TYR C C 26 177.714 178.310 -0.596 1
1 219 . 5 1 1 A 26 26 TYR CA C 26 60.191 60.822 -0.631 1
1 220 . 5 1 1 A 26 26 TYR CB C 26 36.264 37.135 -0.871 1
1 225 . 5 1 1 A 26 26 TYR N N 26 114.321 118.538 -4.217 1
1 226 . 5 1 1 A 27 27 GLN H H 27 6.421 7.351 -0.930 1
1 227 . 5 1 1 A 27 27 GLN HA H 27 3.781 3.227 0.554 1
1 234 . 5 1 1 A 27 27 GLN C C 27 178.492 177.218 1.274 1
1 235 . 5 1 1 A 27 27 GLN CA C 27 57.318 58.059 -0.741 1
1 236 . 5 1 1 A 27 27 GLN CB C 27 28.324 28.084 0.240 1
1 238 . 5 1 1 A 27 27 GLN N N 27 119.701 120.816 -1.115 1
1 240 . 5 1 1 A 28 28 LEU H H 28 6.727 7.341 -0.614 1
1 241 . 5 1 1 A 28 28 LEU HA H 28 3.340 1.944 1.396 1
1 251 . 5 1 1 A 28 28 LEU C C 28 177.564 177.860 -0.296 1
1 252 . 5 1 1 A 28 28 LEU CA C 28 57.865 56.214 1.651 1
1 253 . 5 1 1 A 28 28 LEU CB C 28 40.440 42.103 -1.663 1
1 257 . 5 1 1 A 28 28 LEU N N 28 121.434 120.493 0.941 1
1 258 . 5 1 1 A 29 29 ILE H H 29 7.970 7.521 0.449 1
1 259 . 5 1 1 A 29 29 ILE HA H 29 3.741 3.426 0.315 1
1 269 . 5 1 1 A 29 29 ILE C C 29 179.163 177.788 1.375 1
1 270 . 5 1 1 A 29 29 ILE CA C 29 64.518 65.144 -0.626 1
1 271 . 5 1 1 A 29 29 ILE CB C 29 37.255 37.519 -0.264 1
1 275 . 5 1 1 A 29 29 ILE N N 29 119.312 120.438 -1.126 1
1 276 . 5 1 1 A 30 30 SER H H 30 7.665 7.973 -0.308 1
1 277 . 5 1 1 A 30 30 SER HA H 30 4.091 4.105 -0.014 1
1 280 . 5 1 1 A 30 30 SER C C 30 177.361 176.810 0.551 1
1 281 . 5 1 1 A 30 30 SER CA C 30 61.460 60.625 0.835 1
1 282 . 5 1 1 A 30 30 SER CB C 30 62.526 63.110 -0.584 1
1 283 . 5 1 1 A 30 30 SER N N 30 113.605 115.284 -1.679 1
1 284 . 5 1 1 A 31 31 HIS H H 31 7.600 7.413 0.187 1
1 285 . 5 1 1 A 31 31 HIS HA H 31 4.237 4.280 -0.043 1
1 290 . 5 1 1 A 31 31 HIS C C 31 177.843 177.428 0.415 1
1 291 . 5 1 1 A 31 31 HIS CA C 31 59.125 59.264 -0.139 1
1 292 . 5 1 1 A 31 31 HIS CB C 31 28.478 29.878 -1.400 1
1 295 . 5 1 1 A 31 31 HIS N N 31 120.473 120.419 0.054 1
1 296 . 5 1 1 A 32 32 GLN H H 32 8.815 8.139 0.676 1
1 297 . 5 1 1 A 32 32 GLN HA H 32 3.691 3.891 -0.200 1
1 304 . 5 1 1 A 32 32 GLN C C 32 178.072 178.564 -0.492 1
1 305 . 5 1 1 A 32 32 GLN CA C 32 59.764 59.033 0.731 1
1 306 . 5 1 1 A 32 32 GLN CB C 32 27.967 28.327 -0.360 1
1 308 . 5 1 1 A 32 32 GLN N N 32 120.188 117.859 2.329 1
1 310 . 5 1 1 A 33 33 ARG H H 33 7.307 7.728 -0.421 1
1 311 . 5 1 1 A 33 33 ARG HA H 33 4.124 4.079 0.045 1
1 318 . 5 1 1 A 33 33 ARG C C 33 178.441 178.815 -0.374 1
1 319 . 5 1 1 A 33 33 ARG CA C 33 58.665 59.268 -0.603 1
1 320 . 5 1 1 A 33 33 ARG CB C 33 29.859 29.978 -0.119 1
1 323 . 5 1 1 A 33 33 ARG N N 33 118.223 120.615 -2.392 1
1 324 . 5 1 1 A 34 34 THR H H 34 7.731 8.154 -0.423 1
1 325 . 5 1 1 A 34 34 THR HA H 34 4.123 3.946 0.177 1
1 330 . 5 1 1 A 34 34 THR C C 34 175.609 176.943 -1.334 1
1 331 . 5 1 1 A 34 34 THR CA C 34 63.859 65.407 -1.548 1
1 332 . 5 1 1 A 34 34 THR CB C 34 69.118 68.028 1.090 1
1 334 . 5 1 1 A 34 34 THR N N 34 109.975 112.933 -2.958 1
1 335 . 5 1 1 A 35 35 HIS H H 35 7.062 7.491 -0.429 1
1 336 . 5 1 1 A 35 35 HIS HA H 35 4.799 4.283 0.516 1
1 341 . 5 1 1 A 35 35 HIS C C 35 175.092 175.988 -0.896 1
1 342 . 5 1 1 A 35 35 HIS CA C 35 55.122 59.047 -3.925 1
1 343 . 5 1 1 A 35 35 HIS CB C 35 28.756 30.637 -1.881 1
1 346 . 5 1 1 A 35 35 HIS N N 35 118.423 119.391 -0.968 1
1 347 . 5 1 1 A 36 36 ALA H H 36 7.630 7.287 0.343 1
1 348 . 5 1 1 A 36 36 ALA HA H 36 4.347 3.938 0.409 1
1 352 . 5 1 1 A 36 36 ALA C C 36 178.040 177.727 0.313 1
1 353 . 5 1 1 A 36 36 ALA CA C 36 53.136 53.697 -0.561 1
1 354 . 5 1 1 A 36 36 ALA CB C 36 19.243 19.345 -0.102 1
1 355 . 5 1 1 A 36 36 ALA N N 36 123.035 120.759 2.276 1
1 356 . 5 1 1 A 37 37 GLY H H 37 8.237 8.464 -0.227 1
1 357 . 5 1 1 A 37 37 GLY HA2 H 37 3.966 4.194 -0.228 1
1 358 . 5 1 1 A 37 37 GLY HA3 H 37 3.966 4.196 -0.230 1
1 359 . 5 1 1 A 37 37 GLY C C 37 174.074 172.057 2.017 1
1 360 . 5 1 1 A 37 37 GLY CA C 37 45.231 45.275 -0.044 1
1 361 . 5 1 1 A 37 37 GLY N N 37 107.712 108.862 -1.150 1
1 362 . 5 1 1 A 38 38 GLU H H 38 8.092 8.564 -0.472 1
1 363 . 5 1 1 A 38 38 GLU HA H 38 4.283 4.560 -0.277 1
1 368 . 5 1 1 A 38 38 GLU C C 38 176.336 175.326 1.010 1
1 369 . 5 1 1 A 38 38 GLU CA C 38 56.392 56.029 0.363 1
1 370 . 5 1 1 A 38 38 GLU CB C 38 30.516 28.364 2.152 1
1 372 . 5 1 1 A 38 38 GLU N N 38 120.352 121.729 -1.377 1
1 373 . 5 1 1 A 39 39 LYS H H 39 8.396 7.962 0.434 1
1 374 . 5 1 1 A 39 39 LYS HA H 39 4.623 4.809 -0.186 1
1 383 . 5 1 1 A 39 39 LYS C C 39 174.472 174.008 0.464 1
1 384 . 5 1 1 A 39 39 LYS CA C 39 54.053 53.058 0.995 1
1 385 . 5 1 1 A 39 39 LYS CB C 39 32.429 34.921 -2.492 1
1 389 . 5 1 1 A 39 39 LYS N N 39 123.622 123.206 0.416 1
1 390 . 5 1 1 A 40 40 PRO HA H 40 4.467 4.724 -0.257 1
1 397 . 5 1 1 A 40 40 PRO CA C 40 63.263 62.370 0.893 1
1 398 . 5 1 1 A 40 40 PRO CB C 40 32.140 29.505 2.635 1
1 401 . 5 1 1 A 42 42 GLY HA2 H 42 4.163 4.312 -0.149 1
1 402 . 5 1 1 A 42 42 GLY HA3 H 42 4.097 4.316 -0.219 1
1 403 . 5 1 1 A 42 42 GLY CA C 42 44.650 44.536 0.114 1
1 404 . 5 1 1 A 43 43 PRO HA H 43 4.432 4.458 -0.026 1
1 411 . 5 1 1 A 43 43 PRO CA C 43 63.073 62.738 0.335 1
1 412 . 5 1 1 A 43 43 PRO CB C 43 32.138 32.299 -0.161 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.007 4.060 -0.053 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.007 4.074 -0.067 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.477 171.919 2.558 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.398 44.441 0.957 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.136 8.380 -0.244 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.362 5.236 -0.874 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.239 174.159 1.080 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.653 59.766 1.887 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.822 72.394 -2.572 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.770 113.624 -0.854 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.425 8.590 -0.165 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.967 4.112 -0.145 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.897 4.119 -0.222 1
1 19 . 6 1 1 A 9 9 GLY C C 9 173.998 174.152 -0.154 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.295 44.444 0.851 1
1 21 . 6 1 1 A 9 9 GLY N N 9 110.930 108.808 2.122 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.184 8.838 -0.654 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.190 3.814 0.376 1
1 28 . 6 1 1 A 10 10 GLU C C 10 175.905 175.281 0.624 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.816 57.278 -0.462 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.490 27.895 2.595 1
1 32 . 6 1 1 A 10 10 GLU N N 10 119.839 117.709 2.130 1
1 33 . 6 1 1 A 11 11 ASN H H 11 8.336 8.234 0.102 1
1 34 . 6 1 1 A 11 11 ASN HA H 11 4.872 5.288 -0.416 1
1 39 . 6 1 1 A 11 11 ASN C C 11 172.608 173.758 -1.150 1
1 40 . 6 1 1 A 11 11 ASN CA C 11 51.221 50.352 0.869 1
1 41 . 6 1 1 A 11 11 ASN CB C 11 39.327 39.134 0.193 1
1 42 . 6 1 1 A 11 11 ASN N N 11 119.052 117.609 1.443 1
1 44 . 6 1 1 A 12 12 PRO HA H 12 4.264 4.402 -0.138 1
1 51 . 6 1 1 A 12 12 PRO C C 12 176.384 175.670 0.714 1
1 52 . 6 1 1 A 12 12 PRO CA C 12 63.452 63.984 -0.532 1
1 53 . 6 1 1 A 12 12 PRO CB C 12 32.238 31.362 0.876 1
1 56 . 6 1 1 A 13 13 TYR H H 13 7.915 7.023 0.892 1
1 57 . 6 1 1 A 13 13 TYR HA H 13 4.630 5.162 -0.532 1
1 64 . 6 1 1 A 13 13 TYR C C 13 174.410 174.500 -0.090 1
1 65 . 6 1 1 A 13 13 TYR CA C 13 57.169 56.590 0.579 1
1 66 . 6 1 1 A 13 13 TYR CB C 13 38.062 39.995 -1.933 1
1 71 . 6 1 1 A 13 13 TYR N N 13 118.491 118.898 -0.407 1
1 72 . 6 1 1 A 14 14 GLU H H 14 8.391 9.064 -0.673 1
1 73 . 6 1 1 A 14 14 GLU HA H 14 4.767 5.482 -0.715 1
1 78 . 6 1 1 A 14 14 GLU C C 14 174.879 175.526 -0.647 1
1 79 . 6 1 1 A 14 14 GLU CA C 14 55.103 54.920 0.183 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 32.827 33.056 -0.229 1
1 82 . 6 1 1 A 14 14 GLU N N 14 124.387 124.393 -0.006 1
1 83 . 6 1 1 A 15 15 CYS H H 15 9.266 9.205 0.061 1
1 84 . 6 1 1 A 15 15 CYS HA H 15 4.543 4.645 -0.102 1
1 87 . 6 1 1 A 15 15 CYS C C 15 177.019 176.066 0.953 1
1 88 . 6 1 1 A 15 15 CYS CA C 15 59.235 58.759 0.476 1
1 89 . 6 1 1 A 15 15 CYS CB C 15 29.540 28.245 1.295 1
1 90 . 6 1 1 A 15 15 CYS N N 15 126.125 122.887 3.238 1
1 91 . 6 1 1 A 16 16 HIS HA H 16 4.581 4.510 0.071 1
1 96 . 6 1 1 A 16 16 HIS C C 16 175.444 176.418 -0.974 1
1 97 . 6 1 1 A 16 16 HIS CA C 16 58.116 58.104 0.012 1
1 98 . 6 1 1 A 16 16 HIS CB C 16 29.448 28.851 0.597 1
1 101 . 6 1 1 A 16 16 HIS N N 16 120.818 125.603 -4.785 1
1 102 . 6 1 1 A 17 17 GLU H H 17 8.532 8.258 0.274 1
1 103 . 6 1 1 A 17 17 GLU HA H 17 4.154 3.786 0.368 1
1 108 . 6 1 1 A 17 17 GLU C C 17 177.167 177.915 -0.748 1
1 109 . 6 1 1 A 17 17 GLU CA C 17 58.373 58.449 -0.076 1
1 110 . 6 1 1 A 17 17 GLU CB C 17 29.496 29.986 -0.490 1
1 112 . 6 1 1 A 17 17 GLU N N 17 120.802 120.653 0.149 1
1 113 . 6 1 1 A 18 18 CYS H H 18 7.828 8.111 -0.283 1
1 114 . 6 1 1 A 18 18 CYS HA H 18 5.133 4.723 0.410 1
1 117 . 6 1 1 A 18 18 CYS C C 18 176.064 175.468 0.596 1
1 118 . 6 1 1 A 18 18 CYS CA C 18 58.259 59.801 -1.542 1
1 119 . 6 1 1 A 18 18 CYS CB C 18 32.515 30.038 2.477 1
1 120 . 6 1 1 A 18 18 CYS N N 18 114.288 114.972 -0.684 1
1 121 . 6 1 1 A 19 19 GLY H H 19 8.215 7.826 0.389 1
1 122 . 6 1 1 A 19 19 GLY HA2 H 19 3.863 4.094 -0.231 1
1 123 . 6 1 1 A 19 19 GLY HA3 H 19 4.207 4.115 0.092 1
1 124 . 6 1 1 A 19 19 GLY C C 19 173.989 174.590 -0.601 1
1 125 . 6 1 1 A 19 19 GLY CA C 19 46.144 45.053 1.091 1
1 126 . 6 1 1 A 19 19 GLY N N 19 113.636 109.868 3.768 1
1 127 . 6 1 1 A 20 20 LYS H H 20 7.895 7.507 0.388 1
1 128 . 6 1 1 A 20 20 LYS HA H 20 3.938 4.262 -0.324 1
1 137 . 6 1 1 A 20 20 LYS C C 20 173.489 175.478 -1.989 1
1 138 . 6 1 1 A 20 20 LYS CA C 20 57.884 55.912 1.972 1
1 139 . 6 1 1 A 20 20 LYS CB C 20 33.788 33.608 0.180 1
1 143 . 6 1 1 A 20 20 LYS N N 20 122.674 122.208 0.466 1
1 144 . 6 1 1 A 21 21 ALA H H 21 7.745 7.953 -0.208 1
1 145 . 6 1 1 A 21 21 ALA HA H 21 5.041 5.291 -0.250 1
1 149 . 6 1 1 A 21 21 ALA C C 21 176.127 174.959 1.168 1
1 150 . 6 1 1 A 21 21 ALA CA C 21 50.368 50.531 -0.163 1
1 151 . 6 1 1 A 21 21 ALA CB C 21 22.257 23.302 -1.045 1
1 152 . 6 1 1 A 21 21 ALA N N 21 123.181 124.430 -1.249 1
1 153 . 6 1 1 A 22 22 PHE H H 22 8.499 9.248 -0.749 1
1 154 . 6 1 1 A 22 22 PHE HA H 22 4.707 4.967 -0.260 1
1 162 . 6 1 1 A 22 22 PHE C C 22 175.514 175.393 0.121 1
1 163 . 6 1 1 A 22 22 PHE CA C 22 57.024 56.895 0.129 1
1 164 . 6 1 1 A 22 22 PHE CB C 22 43.573 43.329 0.244 1
1 170 . 6 1 1 A 22 22 PHE N N 22 117.063 117.830 -0.767 1
1 171 . 6 1 1 A 23 23 SER H H 23 8.920 8.605 0.315 1
1 172 . 6 1 1 A 23 23 SER HA H 23 4.679 4.592 0.087 1
1 175 . 6 1 1 A 23 23 SER C C 23 174.739 173.659 1.080 1
1 176 . 6 1 1 A 23 23 SER CA C 23 60.211 61.446 -1.235 1
1 177 . 6 1 1 A 23 23 SER CB C 23 64.285 63.268 1.017 1
1 178 . 6 1 1 A 23 23 SER N N 23 115.806 117.101 -1.295 1
1 179 . 6 1 1 A 24 24 ARG H H 24 7.566 7.934 -0.368 1
1 180 . 6 1 1 A 24 24 ARG HA H 24 4.797 4.647 0.150 1
1 187 . 6 1 1 A 24 24 ARG C C 24 176.488 176.552 -0.064 1
1 188 . 6 1 1 A 24 24 ARG CA C 24 53.323 54.183 -0.860 1
1 189 . 6 1 1 A 24 24 ARG CB C 24 33.751 31.906 1.845 1
1 192 . 6 1 1 A 24 24 ARG N N 24 117.138 118.746 -1.608 1
1 193 . 6 1 1 A 25 25 LYS H H 25 8.511 8.346 0.165 1
1 194 . 6 1 1 A 25 25 LYS HA H 25 2.879 2.822 0.057 1
1 203 . 6 1 1 A 25 25 LYS C C 25 178.784 177.343 1.441 1
1 204 . 6 1 1 A 25 25 LYS CA C 25 59.821 58.669 1.152 1
1 205 . 6 1 1 A 25 25 LYS CB C 25 31.540 31.807 -0.267 1
1 209 . 6 1 1 A 25 25 LYS N N 25 116.581 123.113 -6.532 1
1 210 . 6 1 1 A 26 26 TYR H H 26 8.189 7.887 0.302 1
1 211 . 6 1 1 A 26 26 TYR HA H 26 4.155 4.104 0.051 1
1 218 . 6 1 1 A 26 26 TYR C C 26 177.714 178.142 -0.428 1
1 219 . 6 1 1 A 26 26 TYR CA C 26 60.191 60.665 -0.474 1
1 220 . 6 1 1 A 26 26 TYR CB C 26 36.264 37.141 -0.877 1
1 225 . 6 1 1 A 26 26 TYR N N 26 114.321 118.459 -4.138 1
1 226 . 6 1 1 A 27 27 GLN H H 27 6.421 7.413 -0.992 1
1 227 . 6 1 1 A 27 27 GLN HA H 27 3.781 3.194 0.587 1
1 234 . 6 1 1 A 27 27 GLN C C 27 178.492 177.340 1.152 1
1 235 . 6 1 1 A 27 27 GLN CA C 27 57.318 58.005 -0.687 1
1 236 . 6 1 1 A 27 27 GLN CB C 27 28.324 28.100 0.224 1
1 238 . 6 1 1 A 27 27 GLN N N 27 119.701 120.819 -1.118 1
1 240 . 6 1 1 A 28 28 LEU H H 28 6.727 7.223 -0.496 1
1 241 . 6 1 1 A 28 28 LEU HA H 28 3.340 1.965 1.375 1
1 251 . 6 1 1 A 28 28 LEU C C 28 177.564 177.903 -0.339 1
1 252 . 6 1 1 A 28 28 LEU CA C 28 57.865 56.216 1.649 1
1 253 . 6 1 1 A 28 28 LEU CB C 28 40.440 42.106 -1.666 1
1 257 . 6 1 1 A 28 28 LEU N N 28 121.434 120.494 0.940 1
1 258 . 6 1 1 A 29 29 ILE H H 29 7.970 7.475 0.495 1
1 259 . 6 1 1 A 29 29 ILE HA H 29 3.741 3.437 0.304 1
1 269 . 6 1 1 A 29 29 ILE C C 29 179.163 177.798 1.365 1
1 270 . 6 1 1 A 29 29 ILE CA C 29 64.518 65.029 -0.511 1
1 271 . 6 1 1 A 29 29 ILE CB C 29 37.255 37.496 -0.241 1
1 275 . 6 1 1 A 29 29 ILE N N 29 119.312 120.324 -1.012 1
1 276 . 6 1 1 A 30 30 SER H H 30 7.665 7.969 -0.304 1
1 277 . 6 1 1 A 30 30 SER HA H 30 4.091 4.080 0.011 1
1 280 . 6 1 1 A 30 30 SER C C 30 177.361 176.873 0.488 1
1 281 . 6 1 1 A 30 30 SER CA C 30 61.460 60.806 0.654 1
1 282 . 6 1 1 A 30 30 SER CB C 30 62.526 63.090 -0.564 1
1 283 . 6 1 1 A 30 30 SER N N 30 113.605 115.291 -1.686 1
1 284 . 6 1 1 A 31 31 HIS H H 31 7.600 7.398 0.202 1
1 285 . 6 1 1 A 31 31 HIS HA H 31 4.237 4.316 -0.079 1
1 290 . 6 1 1 A 31 31 HIS C C 31 177.843 177.465 0.378 1
1 291 . 6 1 1 A 31 31 HIS CA C 31 59.125 59.434 -0.309 1
1 292 . 6 1 1 A 31 31 HIS CB C 31 28.478 30.152 -1.674 1
1 295 . 6 1 1 A 31 31 HIS N N 31 120.473 120.661 -0.188 1
1 296 . 6 1 1 A 32 32 GLN H H 32 8.815 8.188 0.627 1
1 297 . 6 1 1 A 32 32 GLN HA H 32 3.691 3.991 -0.300 1
1 304 . 6 1 1 A 32 32 GLN C C 32 178.072 178.660 -0.588 1
1 305 . 6 1 1 A 32 32 GLN CA C 32 59.764 59.097 0.667 1
1 306 . 6 1 1 A 32 32 GLN CB C 32 27.967 28.356 -0.389 1
1 308 . 6 1 1 A 32 32 GLN N N 32 120.188 118.112 2.076 1
1 310 . 6 1 1 A 33 33 ARG H H 33 7.307 7.738 -0.431 1
1 311 . 6 1 1 A 33 33 ARG HA H 33 4.124 4.099 0.025 1
1 318 . 6 1 1 A 33 33 ARG C C 33 178.441 178.894 -0.453 1
1 319 . 6 1 1 A 33 33 ARG CA C 33 58.665 59.295 -0.630 1
1 320 . 6 1 1 A 33 33 ARG CB C 33 29.859 30.095 -0.236 1
1 323 . 6 1 1 A 33 33 ARG N N 33 118.223 119.960 -1.737 1
1 324 . 6 1 1 A 34 34 THR H H 34 7.731 8.187 -0.456 1
1 325 . 6 1 1 A 34 34 THR HA H 34 4.123 4.011 0.112 1
1 330 . 6 1 1 A 34 34 THR C C 34 175.609 176.560 -0.951 1
1 331 . 6 1 1 A 34 34 THR CA C 34 63.859 64.796 -0.937 1
1 332 . 6 1 1 A 34 34 THR CB C 34 69.118 68.423 0.695 1
1 334 . 6 1 1 A 34 34 THR N N 34 109.975 113.019 -3.044 1
1 335 . 6 1 1 A 35 35 HIS H H 35 7.062 7.764 -0.702 1
1 336 . 6 1 1 A 35 35 HIS HA H 35 4.799 4.365 0.434 1
1 341 . 6 1 1 A 35 35 HIS C C 35 175.092 176.144 -1.052 1
1 342 . 6 1 1 A 35 35 HIS CA C 35 55.122 58.386 -3.264 1
1 343 . 6 1 1 A 35 35 HIS CB C 35 28.756 30.913 -2.157 1
1 346 . 6 1 1 A 35 35 HIS N N 35 118.423 118.702 -0.279 1
1 347 . 6 1 1 A 36 36 ALA H H 36 7.630 7.417 0.213 1
1 348 . 6 1 1 A 36 36 ALA HA H 36 4.347 3.940 0.407 1
1 352 . 6 1 1 A 36 36 ALA C C 36 178.040 177.620 0.420 1
1 353 . 6 1 1 A 36 36 ALA CA C 36 53.136 53.806 -0.670 1
1 354 . 6 1 1 A 36 36 ALA CB C 36 19.243 19.246 -0.003 1
1 355 . 6 1 1 A 36 36 ALA N N 36 123.035 120.686 2.349 1
1 356 . 6 1 1 A 37 37 GLY H H 37 8.237 8.408 -0.171 1
1 357 . 6 1 1 A 37 37 GLY HA2 H 37 3.966 4.096 -0.130 1
1 358 . 6 1 1 A 37 37 GLY HA3 H 37 3.966 4.099 -0.133 1
1 359 . 6 1 1 A 37 37 GLY C C 37 174.074 173.282 0.792 1
1 360 . 6 1 1 A 37 37 GLY CA C 37 45.231 45.754 -0.523 1
1 361 . 6 1 1 A 37 37 GLY N N 37 107.712 109.000 -1.288 1
1 362 . 6 1 1 A 38 38 GLU H H 38 8.092 7.946 0.146 1
1 363 . 6 1 1 A 38 38 GLU HA H 38 4.283 4.687 -0.404 1
1 368 . 6 1 1 A 38 38 GLU C C 38 176.336 175.107 1.229 1
1 369 . 6 1 1 A 38 38 GLU CA C 38 56.392 55.125 1.267 1
1 370 . 6 1 1 A 38 38 GLU CB C 38 30.516 31.443 -0.927 1
1 372 . 6 1 1 A 38 38 GLU N N 38 120.352 115.653 4.699 1
1 373 . 6 1 1 A 39 39 LYS H H 39 8.396 8.210 0.186 1
1 374 . 6 1 1 A 39 39 LYS HA H 39 4.623 4.317 0.306 1
1 383 . 6 1 1 A 39 39 LYS C C 39 174.472 175.905 -1.433 1
1 384 . 6 1 1 A 39 39 LYS CA C 39 54.053 55.211 -1.158 1
1 385 . 6 1 1 A 39 39 LYS CB C 39 32.429 32.450 -0.021 1
1 389 . 6 1 1 A 39 39 LYS N N 39 123.622 118.330 5.292 1
1 390 . 6 1 1 A 40 40 PRO HA H 40 4.467 4.546 -0.079 1
1 397 . 6 1 1 A 40 40 PRO CA C 40 63.263 62.386 0.877 1
1 398 . 6 1 1 A 40 40 PRO CB C 40 32.140 32.475 -0.335 1
1 401 . 6 1 1 A 42 42 GLY HA2 H 42 4.163 4.187 -0.024 1
1 402 . 6 1 1 A 42 42 GLY HA3 H 42 4.097 4.187 -0.090 1
1 403 . 6 1 1 A 42 42 GLY CA C 42 44.650 44.174 0.476 1
1 404 . 6 1 1 A 43 43 PRO HA H 43 4.432 4.557 -0.125 1
1 411 . 6 1 1 A 43 43 PRO CA C 43 63.073 62.710 0.363 1
1 412 . 6 1 1 A 43 43 PRO CB C 43 32.138 32.277 -0.139 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.007 4.198 -0.191 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.007 4.198 -0.191 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.477 172.107 2.370 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.398 45.828 -0.430 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.136 8.725 -0.589 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.362 5.246 -0.884 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.239 174.557 0.682 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.653 59.462 2.191 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.822 71.443 -1.621 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.770 112.857 -0.087 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.425 8.223 0.202 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.967 3.981 -0.014 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.897 3.991 -0.094 1
1 19 . 7 1 1 A 9 9 GLY C C 9 173.998 175.836 -1.838 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.295 45.889 -0.594 1
1 21 . 7 1 1 A 9 9 GLY N N 9 110.930 109.841 1.089 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.184 8.300 -0.116 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.190 4.137 0.053 1
1 28 . 7 1 1 A 10 10 GLU C C 10 175.905 176.894 -0.989 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.816 58.866 -2.050 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.490 28.985 1.505 1
1 32 . 7 1 1 A 10 10 GLU N N 10 119.839 120.866 -1.027 1
1 33 . 7 1 1 A 11 11 ASN H H 11 8.336 8.030 0.306 1
1 34 . 7 1 1 A 11 11 ASN HA H 11 4.872 5.301 -0.429 1
1 39 . 7 1 1 A 11 11 ASN C C 11 172.608 174.462 -1.854 1
1 40 . 7 1 1 A 11 11 ASN CA C 11 51.221 50.784 0.437 1
1 41 . 7 1 1 A 11 11 ASN CB C 11 39.327 38.546 0.781 1
1 42 . 7 1 1 A 11 11 ASN N N 11 119.052 116.915 2.137 1
1 44 . 7 1 1 A 12 12 PRO HA H 12 4.264 4.412 -0.148 1
1 51 . 7 1 1 A 12 12 PRO C C 12 176.384 175.577 0.807 1
1 52 . 7 1 1 A 12 12 PRO CA C 12 63.452 64.005 -0.553 1
1 53 . 7 1 1 A 12 12 PRO CB C 12 32.238 31.404 0.834 1
1 56 . 7 1 1 A 13 13 TYR H H 13 7.915 7.060 0.855 1
1 57 . 7 1 1 A 13 13 TYR HA H 13 4.630 5.173 -0.543 1
1 64 . 7 1 1 A 13 13 TYR C C 13 174.410 174.534 -0.124 1
1 65 . 7 1 1 A 13 13 TYR CA C 13 57.169 56.733 0.436 1
1 66 . 7 1 1 A 13 13 TYR CB C 13 38.062 40.096 -2.034 1
1 71 . 7 1 1 A 13 13 TYR N N 13 118.491 119.159 -0.668 1
1 72 . 7 1 1 A 14 14 GLU H H 14 8.391 9.008 -0.617 1
1 73 . 7 1 1 A 14 14 GLU HA H 14 4.767 5.287 -0.520 1
1 78 . 7 1 1 A 14 14 GLU C C 14 174.879 175.625 -0.746 1
1 79 . 7 1 1 A 14 14 GLU CA C 14 55.103 54.773 0.330 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 32.827 32.974 -0.147 1
1 82 . 7 1 1 A 14 14 GLU N N 14 124.387 124.196 0.191 1
1 83 . 7 1 1 A 15 15 CYS H H 15 9.266 8.979 0.287 1
1 84 . 7 1 1 A 15 15 CYS HA H 15 4.543 4.435 0.108 1
1 87 . 7 1 1 A 15 15 CYS C C 15 177.019 175.908 1.111 1
1 88 . 7 1 1 A 15 15 CYS CA C 15 59.235 58.853 0.382 1
1 89 . 7 1 1 A 15 15 CYS CB C 15 29.540 27.933 1.607 1
1 90 . 7 1 1 A 15 15 CYS N N 15 126.125 123.348 2.777 1
1 91 . 7 1 1 A 16 16 HIS HA H 16 4.581 4.499 0.082 1
1 96 . 7 1 1 A 16 16 HIS C C 16 175.444 176.336 -0.892 1
1 97 . 7 1 1 A 16 16 HIS CA C 16 58.116 58.100 0.016 1
1 98 . 7 1 1 A 16 16 HIS CB C 16 29.448 28.823 0.625 1
1 101 . 7 1 1 A 16 16 HIS N N 16 120.818 125.664 -4.846 1
1 102 . 7 1 1 A 17 17 GLU H H 17 8.532 8.023 0.509 1
1 103 . 7 1 1 A 17 17 GLU HA H 17 4.154 4.078 0.076 1
1 108 . 7 1 1 A 17 17 GLU C C 17 177.167 177.897 -0.730 1
1 109 . 7 1 1 A 17 17 GLU CA C 17 58.373 58.587 -0.214 1
1 110 . 7 1 1 A 17 17 GLU CB C 17 29.496 29.965 -0.469 1
1 112 . 7 1 1 A 17 17 GLU N N 17 120.802 120.082 0.720 1
1 113 . 7 1 1 A 18 18 CYS H H 18 7.828 8.040 -0.212 1
1 114 . 7 1 1 A 18 18 CYS HA H 18 5.133 4.736 0.397 1
1 117 . 7 1 1 A 18 18 CYS C C 18 176.064 175.536 0.528 1
1 118 . 7 1 1 A 18 18 CYS CA C 18 58.259 59.844 -1.585 1
1 119 . 7 1 1 A 18 18 CYS CB C 18 32.515 29.918 2.597 1
1 120 . 7 1 1 A 18 18 CYS N N 18 114.288 114.948 -0.660 1
1 121 . 7 1 1 A 19 19 GLY H H 19 8.215 7.766 0.449 1
1 122 . 7 1 1 A 19 19 GLY HA2 H 19 3.863 4.092 -0.229 1
1 123 . 7 1 1 A 19 19 GLY HA3 H 19 4.207 4.102 0.105 1
1 124 . 7 1 1 A 19 19 GLY C C 19 173.989 174.530 -0.541 1
1 125 . 7 1 1 A 19 19 GLY CA C 19 46.144 45.001 1.143 1
1 126 . 7 1 1 A 19 19 GLY N N 19 113.636 109.790 3.846 1
1 127 . 7 1 1 A 20 20 LYS H H 20 7.895 7.382 0.513 1
1 128 . 7 1 1 A 20 20 LYS HA H 20 3.938 4.243 -0.305 1
1 137 . 7 1 1 A 20 20 LYS C C 20 173.489 175.515 -2.026 1
1 138 . 7 1 1 A 20 20 LYS CA C 20 57.884 56.060 1.824 1
1 139 . 7 1 1 A 20 20 LYS CB C 20 33.788 33.610 0.178 1
1 143 . 7 1 1 A 20 20 LYS N N 20 122.674 122.204 0.470 1
1 144 . 7 1 1 A 21 21 ALA H H 21 7.745 7.946 -0.201 1
1 145 . 7 1 1 A 21 21 ALA HA H 21 5.041 5.287 -0.246 1
1 149 . 7 1 1 A 21 21 ALA C C 21 176.127 174.965 1.162 1
1 150 . 7 1 1 A 21 21 ALA CA C 21 50.368 50.816 -0.448 1
1 151 . 7 1 1 A 21 21 ALA CB C 21 22.257 23.318 -1.061 1
1 152 . 7 1 1 A 21 21 ALA N N 21 123.181 123.897 -0.716 1
1 153 . 7 1 1 A 22 22 PHE H H 22 8.499 9.312 -0.813 1
1 154 . 7 1 1 A 22 22 PHE HA H 22 4.707 4.965 -0.258 1
1 162 . 7 1 1 A 22 22 PHE C C 22 175.514 175.573 -0.059 1
1 163 . 7 1 1 A 22 22 PHE CA C 22 57.024 56.809 0.215 1
1 164 . 7 1 1 A 22 22 PHE CB C 22 43.573 43.243 0.330 1
1 170 . 7 1 1 A 22 22 PHE N N 22 117.063 117.409 -0.346 1
1 171 . 7 1 1 A 23 23 SER H H 23 8.920 8.549 0.371 1
1 172 . 7 1 1 A 23 23 SER HA H 23 4.679 4.585 0.094 1
1 175 . 7 1 1 A 23 23 SER C C 23 174.739 173.630 1.109 1
1 176 . 7 1 1 A 23 23 SER CA C 23 60.211 61.441 -1.230 1
1 177 . 7 1 1 A 23 23 SER CB C 23 64.285 63.542 0.743 1
1 178 . 7 1 1 A 23 23 SER N N 23 115.806 117.448 -1.642 1
1 179 . 7 1 1 A 24 24 ARG H H 24 7.566 7.940 -0.374 1
1 180 . 7 1 1 A 24 24 ARG HA H 24 4.797 4.741 0.056 1
1 187 . 7 1 1 A 24 24 ARG C C 24 176.488 176.454 0.034 1
1 188 . 7 1 1 A 24 24 ARG CA C 24 53.323 54.344 -1.021 1
1 189 . 7 1 1 A 24 24 ARG CB C 24 33.751 32.170 1.581 1
1 192 . 7 1 1 A 24 24 ARG N N 24 117.138 118.552 -1.414 1
1 193 . 7 1 1 A 25 25 LYS H H 25 8.511 8.387 0.124 1
1 194 . 7 1 1 A 25 25 LYS HA H 25 2.879 2.691 0.188 1
1 203 . 7 1 1 A 25 25 LYS C C 25 178.784 177.305 1.479 1
1 204 . 7 1 1 A 25 25 LYS CA C 25 59.821 58.358 1.463 1
1 205 . 7 1 1 A 25 25 LYS CB C 25 31.540 31.800 -0.260 1
1 209 . 7 1 1 A 25 25 LYS N N 25 116.581 123.191 -6.610 1
1 210 . 7 1 1 A 26 26 TYR H H 26 8.189 8.276 -0.087 1
1 211 . 7 1 1 A 26 26 TYR HA H 26 4.155 4.070 0.085 1
1 218 . 7 1 1 A 26 26 TYR C C 26 177.714 178.300 -0.586 1
1 219 . 7 1 1 A 26 26 TYR CA C 26 60.191 60.813 -0.622 1
1 220 . 7 1 1 A 26 26 TYR CB C 26 36.264 37.170 -0.906 1
1 225 . 7 1 1 A 26 26 TYR N N 26 114.321 118.552 -4.231 1
1 226 . 7 1 1 A 27 27 GLN H H 27 6.421 7.363 -0.942 1
1 227 . 7 1 1 A 27 27 GLN HA H 27 3.781 3.210 0.571 1
1 234 . 7 1 1 A 27 27 GLN C C 27 178.492 177.092 1.400 1
1 235 . 7 1 1 A 27 27 GLN CA C 27 57.318 57.965 -0.647 1
1 236 . 7 1 1 A 27 27 GLN CB C 27 28.324 28.085 0.239 1
1 238 . 7 1 1 A 27 27 GLN N N 27 119.701 120.777 -1.076 1
1 240 . 7 1 1 A 28 28 LEU H H 28 6.727 7.368 -0.641 1
1 241 . 7 1 1 A 28 28 LEU HA H 28 3.340 1.908 1.432 1
1 251 . 7 1 1 A 28 28 LEU C C 28 177.564 177.799 -0.235 1
1 252 . 7 1 1 A 28 28 LEU CA C 28 57.865 56.234 1.631 1
1 253 . 7 1 1 A 28 28 LEU CB C 28 40.440 42.026 -1.586 1
1 257 . 7 1 1 A 28 28 LEU N N 28 121.434 120.472 0.962 1
1 258 . 7 1 1 A 29 29 ILE H H 29 7.970 7.550 0.420 1
1 259 . 7 1 1 A 29 29 ILE HA H 29 3.741 3.461 0.280 1
1 269 . 7 1 1 A 29 29 ILE C C 29 179.163 177.883 1.280 1
1 270 . 7 1 1 A 29 29 ILE CA C 29 64.518 65.230 -0.712 1
1 271 . 7 1 1 A 29 29 ILE CB C 29 37.255 37.515 -0.260 1
1 275 . 7 1 1 A 29 29 ILE N N 29 119.312 120.329 -1.017 1
1 276 . 7 1 1 A 30 30 SER H H 30 7.665 8.010 -0.345 1
1 277 . 7 1 1 A 30 30 SER HA H 30 4.091 4.078 0.013 1
1 280 . 7 1 1 A 30 30 SER C C 30 177.361 176.782 0.579 1
1 281 . 7 1 1 A 30 30 SER CA C 30 61.460 60.845 0.615 1
1 282 . 7 1 1 A 30 30 SER CB C 30 62.526 63.072 -0.546 1
1 283 . 7 1 1 A 30 30 SER N N 30 113.605 115.316 -1.711 1
1 284 . 7 1 1 A 31 31 HIS H H 31 7.600 7.433 0.167 1
1 285 . 7 1 1 A 31 31 HIS HA H 31 4.237 4.297 -0.060 1
1 290 . 7 1 1 A 31 31 HIS C C 31 177.843 177.161 0.682 1
1 291 . 7 1 1 A 31 31 HIS CA C 31 59.125 59.342 -0.217 1
1 292 . 7 1 1 A 31 31 HIS CB C 31 28.478 29.783 -1.305 1
1 295 . 7 1 1 A 31 31 HIS N N 31 120.473 120.627 -0.154 1
1 296 . 7 1 1 A 32 32 GLN H H 32 8.815 8.178 0.637 1
1 297 . 7 1 1 A 32 32 GLN HA H 32 3.691 4.021 -0.330 1
1 304 . 7 1 1 A 32 32 GLN C C 32 178.072 178.838 -0.766 1
1 305 . 7 1 1 A 32 32 GLN CA C 32 59.764 59.212 0.552 1
1 306 . 7 1 1 A 32 32 GLN CB C 32 27.967 28.278 -0.311 1
1 308 . 7 1 1 A 32 32 GLN N N 32 120.188 117.505 2.683 1
1 310 . 7 1 1 A 33 33 ARG H H 33 7.307 7.711 -0.404 1
1 311 . 7 1 1 A 33 33 ARG HA H 33 4.124 3.948 0.176 1
1 318 . 7 1 1 A 33 33 ARG C C 33 178.441 178.766 -0.325 1
1 319 . 7 1 1 A 33 33 ARG CA C 33 58.665 59.194 -0.529 1
1 320 . 7 1 1 A 33 33 ARG CB C 33 29.859 29.927 -0.068 1
1 323 . 7 1 1 A 33 33 ARG N N 33 118.223 120.141 -1.918 1
1 324 . 7 1 1 A 34 34 THR H H 34 7.731 8.258 -0.527 1
1 325 . 7 1 1 A 34 34 THR HA H 34 4.123 3.968 0.155 1
1 330 . 7 1 1 A 34 34 THR C C 34 175.609 177.009 -1.400 1
1 331 . 7 1 1 A 34 34 THR CA C 34 63.859 65.415 -1.556 1
1 332 . 7 1 1 A 34 34 THR CB C 34 69.118 67.923 1.195 1
1 334 . 7 1 1 A 34 34 THR N N 34 109.975 113.092 -3.117 1
1 335 . 7 1 1 A 35 35 HIS H H 35 7.062 8.022 -0.960 1
1 336 . 7 1 1 A 35 35 HIS HA H 35 4.799 4.291 0.508 1
1 341 . 7 1 1 A 35 35 HIS C C 35 175.092 176.200 -1.108 1
1 342 . 7 1 1 A 35 35 HIS CA C 35 55.122 59.342 -4.220 1
1 343 . 7 1 1 A 35 35 HIS CB C 35 28.756 30.426 -1.670 1
1 346 . 7 1 1 A 35 35 HIS N N 35 118.423 118.996 -0.573 1
1 347 . 7 1 1 A 36 36 ALA H H 36 7.630 7.604 0.026 1
1 348 . 7 1 1 A 36 36 ALA HA H 36 4.347 3.980 0.367 1
1 352 . 7 1 1 A 36 36 ALA C C 36 178.040 177.869 0.171 1
1 353 . 7 1 1 A 36 36 ALA CA C 36 53.136 53.711 -0.575 1
1 354 . 7 1 1 A 36 36 ALA CB C 36 19.243 19.520 -0.277 1
1 355 . 7 1 1 A 36 36 ALA N N 36 123.035 121.062 1.973 1
1 356 . 7 1 1 A 37 37 GLY H H 37 8.237 8.719 -0.482 1
1 357 . 7 1 1 A 37 37 GLY HA2 H 37 3.966 4.103 -0.137 1
1 358 . 7 1 1 A 37 37 GLY HA3 H 37 3.966 4.103 -0.137 1
1 359 . 7 1 1 A 37 37 GLY C C 37 174.074 173.495 0.579 1
1 360 . 7 1 1 A 37 37 GLY CA C 37 45.231 44.944 0.287 1
1 361 . 7 1 1 A 37 37 GLY N N 37 107.712 107.297 0.415 1
1 362 . 7 1 1 A 38 38 GLU H H 38 8.092 8.377 -0.285 1
1 363 . 7 1 1 A 38 38 GLU HA H 38 4.283 4.306 -0.023 1
1 368 . 7 1 1 A 38 38 GLU C C 38 176.336 175.534 0.802 1
1 369 . 7 1 1 A 38 38 GLU CA C 38 56.392 56.086 0.306 1
1 370 . 7 1 1 A 38 38 GLU CB C 38 30.516 28.735 1.781 1
1 372 . 7 1 1 A 38 38 GLU N N 38 120.352 125.090 -4.738 1
1 373 . 7 1 1 A 39 39 LYS H H 39 8.396 7.741 0.655 1
1 374 . 7 1 1 A 39 39 LYS HA H 39 4.623 4.831 -0.208 1
1 383 . 7 1 1 A 39 39 LYS C C 39 174.472 174.953 -0.481 1
1 384 . 7 1 1 A 39 39 LYS CA C 39 54.053 53.939 0.114 1
1 385 . 7 1 1 A 39 39 LYS CB C 39 32.429 33.685 -1.256 1
1 389 . 7 1 1 A 39 39 LYS N N 39 123.622 122.395 1.227 1
1 390 . 7 1 1 A 40 40 PRO HA H 40 4.467 4.677 -0.210 1
1 397 . 7 1 1 A 40 40 PRO CA C 40 63.263 62.547 0.716 1
1 398 . 7 1 1 A 40 40 PRO CB C 40 32.140 33.517 -1.377 1
1 401 . 7 1 1 A 42 42 GLY HA2 H 42 4.163 3.927 0.236 1
1 402 . 7 1 1 A 42 42 GLY HA3 H 42 4.097 3.928 0.169 1
1 403 . 7 1 1 A 42 42 GLY CA C 42 44.650 45.328 -0.678 1
1 404 . 7 1 1 A 43 43 PRO HA H 43 4.432 4.653 -0.221 1
1 411 . 7 1 1 A 43 43 PRO CA C 43 63.073 62.705 0.368 1
1 412 . 7 1 1 A 43 43 PRO CB C 43 32.138 31.926 0.212 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.007 4.030 -0.023 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.007 4.031 -0.024 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.477 173.929 0.548 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.398 45.237 0.161 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.136 8.567 -0.431 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.362 4.248 0.114 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.239 175.158 0.081 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.653 62.487 -0.834 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.822 69.115 0.707 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.770 115.834 -3.064 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.425 8.457 -0.032 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.967 4.102 -0.135 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.897 4.107 -0.210 1
1 19 . 8 1 1 A 9 9 GLY C C 9 173.998 173.972 0.026 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.295 44.173 1.122 1
1 21 . 8 1 1 A 9 9 GLY N N 9 110.930 110.430 0.500 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.184 8.513 -0.329 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.190 4.607 -0.417 1
1 28 . 8 1 1 A 10 10 GLU C C 10 175.905 174.997 0.908 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.816 55.941 0.875 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.490 29.629 0.861 1
1 32 . 8 1 1 A 10 10 GLU N N 10 119.839 118.521 1.318 1
1 33 . 8 1 1 A 11 11 ASN H H 11 8.336 7.558 0.778 1
1 34 . 8 1 1 A 11 11 ASN HA H 11 4.872 5.333 -0.461 1
1 39 . 8 1 1 A 11 11 ASN C C 11 172.608 173.651 -1.043 1
1 40 . 8 1 1 A 11 11 ASN CA C 11 51.221 50.393 0.828 1
1 41 . 8 1 1 A 11 11 ASN CB C 11 39.327 39.487 -0.160 1
1 42 . 8 1 1 A 11 11 ASN N N 11 119.052 119.095 -0.043 1
1 44 . 8 1 1 A 12 12 PRO HA H 12 4.264 4.379 -0.115 1
1 51 . 8 1 1 A 12 12 PRO C C 12 176.384 175.582 0.802 1
1 52 . 8 1 1 A 12 12 PRO CA C 12 63.452 64.022 -0.570 1
1 53 . 8 1 1 A 12 12 PRO CB C 12 32.238 31.475 0.763 1
1 56 . 8 1 1 A 13 13 TYR H H 13 7.915 7.050 0.865 1
1 57 . 8 1 1 A 13 13 TYR HA H 13 4.630 5.211 -0.581 1
1 64 . 8 1 1 A 13 13 TYR C C 13 174.410 174.663 -0.253 1
1 65 . 8 1 1 A 13 13 TYR CA C 13 57.169 56.748 0.421 1
1 66 . 8 1 1 A 13 13 TYR CB C 13 38.062 40.178 -2.116 1
1 71 . 8 1 1 A 13 13 TYR N N 13 118.491 119.148 -0.657 1
1 72 . 8 1 1 A 14 14 GLU H H 14 8.391 8.983 -0.592 1
1 73 . 8 1 1 A 14 14 GLU HA H 14 4.767 5.333 -0.566 1
1 78 . 8 1 1 A 14 14 GLU C C 14 174.879 175.563 -0.684 1
1 79 . 8 1 1 A 14 14 GLU CA C 14 55.103 54.531 0.572 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 32.827 33.004 -0.177 1
1 82 . 8 1 1 A 14 14 GLU N N 14 124.387 124.023 0.364 1
1 83 . 8 1 1 A 15 15 CYS H H 15 9.266 9.047 0.219 1
1 84 . 8 1 1 A 15 15 CYS HA H 15 4.543 4.486 0.057 1
1 87 . 8 1 1 A 15 15 CYS C C 15 177.019 176.570 0.449 1
1 88 . 8 1 1 A 15 15 CYS CA C 15 59.235 59.355 -0.120 1
1 89 . 8 1 1 A 15 15 CYS CB C 15 29.540 28.189 1.351 1
1 90 . 8 1 1 A 15 15 CYS N N 15 126.125 123.641 2.484 1
1 91 . 8 1 1 A 16 16 HIS HA H 16 4.581 4.596 -0.015 1
1 96 . 8 1 1 A 16 16 HIS C C 16 175.444 174.701 0.743 1
1 97 . 8 1 1 A 16 16 HIS CA C 16 58.116 56.585 1.531 1
1 98 . 8 1 1 A 16 16 HIS CB C 16 29.448 29.758 -0.310 1
1 101 . 8 1 1 A 16 16 HIS N N 16 120.818 124.636 -3.818 1
1 102 . 8 1 1 A 17 17 GLU H H 17 8.532 7.897 0.635 1
1 103 . 8 1 1 A 17 17 GLU HA H 17 4.154 4.383 -0.229 1
1 108 . 8 1 1 A 17 17 GLU C C 17 177.167 177.813 -0.646 1
1 109 . 8 1 1 A 17 17 GLU CA C 17 58.373 57.108 1.265 1
1 110 . 8 1 1 A 17 17 GLU CB C 17 29.496 31.451 -1.955 1
1 112 . 8 1 1 A 17 17 GLU N N 17 120.802 117.041 3.761 1
1 113 . 8 1 1 A 18 18 CYS H H 18 7.828 8.126 -0.298 1
1 114 . 8 1 1 A 18 18 CYS HA H 18 5.133 4.745 0.388 1
1 117 . 8 1 1 A 18 18 CYS C C 18 176.064 175.444 0.620 1
1 118 . 8 1 1 A 18 18 CYS CA C 18 58.259 59.884 -1.625 1
1 119 . 8 1 1 A 18 18 CYS CB C 18 32.515 29.943 2.572 1
1 120 . 8 1 1 A 18 18 CYS N N 18 114.288 114.713 -0.425 1
1 121 . 8 1 1 A 19 19 GLY H H 19 8.215 7.998 0.217 1
1 122 . 8 1 1 A 19 19 GLY HA2 H 19 3.863 4.081 -0.218 1
1 123 . 8 1 1 A 19 19 GLY HA3 H 19 4.207 4.090 0.117 1
1 124 . 8 1 1 A 19 19 GLY C C 19 173.989 174.554 -0.565 1
1 125 . 8 1 1 A 19 19 GLY CA C 19 46.144 45.029 1.115 1
1 126 . 8 1 1 A 19 19 GLY N N 19 113.636 109.826 3.810 1
1 127 . 8 1 1 A 20 20 LYS H H 20 7.895 7.469 0.426 1
1 128 . 8 1 1 A 20 20 LYS HA H 20 3.938 4.258 -0.320 1
1 137 . 8 1 1 A 20 20 LYS C C 20 173.489 175.479 -1.990 1
1 138 . 8 1 1 A 20 20 LYS CA C 20 57.884 55.970 1.914 1
1 139 . 8 1 1 A 20 20 LYS CB C 20 33.788 33.774 0.014 1
1 143 . 8 1 1 A 20 20 LYS N N 20 122.674 122.172 0.502 1
1 144 . 8 1 1 A 21 21 ALA H H 21 7.745 7.973 -0.228 1
1 145 . 8 1 1 A 21 21 ALA HA H 21 5.041 5.446 -0.405 1
1 149 . 8 1 1 A 21 21 ALA C C 21 176.127 175.004 1.123 1
1 150 . 8 1 1 A 21 21 ALA CA C 21 50.368 50.564 -0.196 1
1 151 . 8 1 1 A 21 21 ALA CB C 21 22.257 23.459 -1.202 1
1 152 . 8 1 1 A 21 21 ALA N N 21 123.181 123.932 -0.751 1
1 153 . 8 1 1 A 22 22 PHE H H 22 8.499 9.294 -0.795 1
1 154 . 8 1 1 A 22 22 PHE HA H 22 4.707 4.939 -0.232 1
1 162 . 8 1 1 A 22 22 PHE C C 22 175.514 175.401 0.113 1
1 163 . 8 1 1 A 22 22 PHE CA C 22 57.024 56.964 0.060 1
1 164 . 8 1 1 A 22 22 PHE CB C 22 43.573 43.222 0.351 1
1 170 . 8 1 1 A 22 22 PHE N N 22 117.063 117.506 -0.443 1
1 171 . 8 1 1 A 23 23 SER H H 23 8.920 8.756 0.164 1
1 172 . 8 1 1 A 23 23 SER HA H 23 4.679 4.572 0.107 1
1 175 . 8 1 1 A 23 23 SER C C 23 174.739 173.751 0.988 1
1 176 . 8 1 1 A 23 23 SER CA C 23 60.211 61.476 -1.265 1
1 177 . 8 1 1 A 23 23 SER CB C 23 64.285 63.418 0.867 1
1 178 . 8 1 1 A 23 23 SER N N 23 115.806 117.227 -1.421 1
1 179 . 8 1 1 A 24 24 ARG H H 24 7.566 7.911 -0.345 1
1 180 . 8 1 1 A 24 24 ARG HA H 24 4.797 4.588 0.209 1
1 187 . 8 1 1 A 24 24 ARG C C 24 176.488 176.552 -0.064 1
1 188 . 8 1 1 A 24 24 ARG CA C 24 53.323 54.175 -0.852 1
1 189 . 8 1 1 A 24 24 ARG CB C 24 33.751 31.805 1.946 1
1 192 . 8 1 1 A 24 24 ARG N N 24 117.138 118.904 -1.766 1
1 193 . 8 1 1 A 25 25 LYS H H 25 8.511 8.429 0.082 1
1 194 . 8 1 1 A 25 25 LYS HA H 25 2.879 2.952 -0.073 1
1 203 . 8 1 1 A 25 25 LYS C C 25 178.784 177.420 1.364 1
1 204 . 8 1 1 A 25 25 LYS CA C 25 59.821 58.365 1.456 1
1 205 . 8 1 1 A 25 25 LYS CB C 25 31.540 31.866 -0.326 1
1 209 . 8 1 1 A 25 25 LYS N N 25 116.581 123.187 -6.606 1
1 210 . 8 1 1 A 26 26 TYR H H 26 8.189 8.111 0.078 1
1 211 . 8 1 1 A 26 26 TYR HA H 26 4.155 4.083 0.072 1
1 218 . 8 1 1 A 26 26 TYR C C 26 177.714 178.313 -0.599 1
1 219 . 8 1 1 A 26 26 TYR CA C 26 60.191 60.715 -0.524 1
1 220 . 8 1 1 A 26 26 TYR CB C 26 36.264 37.148 -0.884 1
1 225 . 8 1 1 A 26 26 TYR N N 26 114.321 118.564 -4.243 1
1 226 . 8 1 1 A 27 27 GLN H H 27 6.421 7.366 -0.945 1
1 227 . 8 1 1 A 27 27 GLN HA H 27 3.781 3.220 0.561 1
1 234 . 8 1 1 A 27 27 GLN C C 27 178.492 177.095 1.397 1
1 235 . 8 1 1 A 27 27 GLN CA C 27 57.318 58.030 -0.712 1
1 236 . 8 1 1 A 27 27 GLN CB C 27 28.324 28.041 0.283 1
1 238 . 8 1 1 A 27 27 GLN N N 27 119.701 120.823 -1.122 1
1 240 . 8 1 1 A 28 28 LEU H H 28 6.727 7.134 -0.407 1
1 241 . 8 1 1 A 28 28 LEU HA H 28 3.340 1.816 1.524 1
1 251 . 8 1 1 A 28 28 LEU C C 28 177.564 178.016 -0.452 1
1 252 . 8 1 1 A 28 28 LEU CA C 28 57.865 56.319 1.546 1
1 253 . 8 1 1 A 28 28 LEU CB C 28 40.440 41.996 -1.556 1
1 257 . 8 1 1 A 28 28 LEU N N 28 121.434 120.542 0.892 1
1 258 . 8 1 1 A 29 29 ILE H H 29 7.970 7.508 0.462 1
1 259 . 8 1 1 A 29 29 ILE HA H 29 3.741 3.435 0.306 1
1 269 . 8 1 1 A 29 29 ILE C C 29 179.163 177.839 1.324 1
1 270 . 8 1 1 A 29 29 ILE CA C 29 64.518 65.304 -0.786 1
1 271 . 8 1 1 A 29 29 ILE CB C 29 37.255 37.594 -0.339 1
1 275 . 8 1 1 A 29 29 ILE N N 29 119.312 120.372 -1.060 1
1 276 . 8 1 1 A 30 30 SER H H 30 7.665 7.926 -0.261 1
1 277 . 8 1 1 A 30 30 SER HA H 30 4.091 4.062 0.029 1
1 280 . 8 1 1 A 30 30 SER C C 30 177.361 176.824 0.537 1
1 281 . 8 1 1 A 30 30 SER CA C 30 61.460 60.837 0.623 1
1 282 . 8 1 1 A 30 30 SER CB C 30 62.526 63.106 -0.580 1
1 283 . 8 1 1 A 30 30 SER N N 30 113.605 115.183 -1.578 1
1 284 . 8 1 1 A 31 31 HIS H H 31 7.600 7.456 0.144 1
1 285 . 8 1 1 A 31 31 HIS HA H 31 4.237 4.310 -0.073 1
1 290 . 8 1 1 A 31 31 HIS C C 31 177.843 177.304 0.539 1
1 291 . 8 1 1 A 31 31 HIS CA C 31 59.125 59.311 -0.186 1
1 292 . 8 1 1 A 31 31 HIS CB C 31 28.478 29.951 -1.473 1
1 295 . 8 1 1 A 31 31 HIS N N 31 120.473 120.969 -0.496 1
1 296 . 8 1 1 A 32 32 GLN H H 32 8.815 8.159 0.656 1
1 297 . 8 1 1 A 32 32 GLN HA H 32 3.691 3.906 -0.215 1
1 304 . 8 1 1 A 32 32 GLN C C 32 178.072 178.569 -0.497 1
1 305 . 8 1 1 A 32 32 GLN CA C 32 59.764 59.004 0.760 1
1 306 . 8 1 1 A 32 32 GLN CB C 32 27.967 28.309 -0.342 1
1 308 . 8 1 1 A 32 32 GLN N N 32 120.188 117.546 2.642 1
1 310 . 8 1 1 A 33 33 ARG H H 33 7.307 7.670 -0.363 1
1 311 . 8 1 1 A 33 33 ARG HA H 33 4.124 4.080 0.044 1
1 318 . 8 1 1 A 33 33 ARG C C 33 178.441 178.873 -0.432 1
1 319 . 8 1 1 A 33 33 ARG CA C 33 58.665 59.328 -0.663 1
1 320 . 8 1 1 A 33 33 ARG CB C 33 29.859 29.980 -0.121 1
1 323 . 8 1 1 A 33 33 ARG N N 33 118.223 120.250 -2.027 1
1 324 . 8 1 1 A 34 34 THR H H 34 7.731 8.261 -0.530 1
1 325 . 8 1 1 A 34 34 THR HA H 34 4.123 3.950 0.173 1
1 330 . 8 1 1 A 34 34 THR C C 34 175.609 177.102 -1.493 1
1 331 . 8 1 1 A 34 34 THR CA C 34 63.859 65.448 -1.589 1
1 332 . 8 1 1 A 34 34 THR CB C 34 69.118 67.900 1.218 1
1 334 . 8 1 1 A 34 34 THR N N 34 109.975 112.943 -2.968 1
1 335 . 8 1 1 A 35 35 HIS H H 35 7.062 7.734 -0.672 1
1 336 . 8 1 1 A 35 35 HIS HA H 35 4.799 4.243 0.556 1
1 341 . 8 1 1 A 35 35 HIS C C 35 175.092 175.995 -0.903 1
1 342 . 8 1 1 A 35 35 HIS CA C 35 55.122 59.888 -4.766 1
1 343 . 8 1 1 A 35 35 HIS CB C 35 28.756 30.193 -1.437 1
1 346 . 8 1 1 A 35 35 HIS N N 35 118.423 119.215 -0.792 1
1 347 . 8 1 1 A 36 36 ALA H H 36 7.630 7.423 0.207 1
1 348 . 8 1 1 A 36 36 ALA HA H 36 4.347 3.987 0.360 1
1 352 . 8 1 1 A 36 36 ALA C C 36 178.040 178.238 -0.198 1
1 353 . 8 1 1 A 36 36 ALA CA C 36 53.136 53.497 -0.361 1
1 354 . 8 1 1 A 36 36 ALA CB C 36 19.243 19.643 -0.400 1
1 355 . 8 1 1 A 36 36 ALA N N 36 123.035 121.426 1.609 1
1 356 . 8 1 1 A 37 37 GLY H H 37 8.237 8.840 -0.603 1
1 357 . 8 1 1 A 37 37 GLY HA2 H 37 3.966 3.995 -0.029 1
1 358 . 8 1 1 A 37 37 GLY HA3 H 37 3.966 3.997 -0.031 1
1 359 . 8 1 1 A 37 37 GLY C C 37 174.074 174.974 -0.900 1
1 360 . 8 1 1 A 37 37 GLY CA C 37 45.231 45.452 -0.221 1
1 361 . 8 1 1 A 37 37 GLY N N 37 107.712 111.301 -3.589 1
1 362 . 8 1 1 A 38 38 GLU H H 38 8.092 7.850 0.242 1
1 363 . 8 1 1 A 38 38 GLU HA H 38 4.283 4.736 -0.453 1
1 368 . 8 1 1 A 38 38 GLU C C 38 176.336 175.356 0.980 1
1 369 . 8 1 1 A 38 38 GLU CA C 38 56.392 55.293 1.099 1
1 370 . 8 1 1 A 38 38 GLU CB C 38 30.516 31.970 -1.454 1
1 372 . 8 1 1 A 38 38 GLU N N 38 120.352 120.028 0.324 1
1 373 . 8 1 1 A 39 39 LYS H H 39 8.396 8.893 -0.497 1
1 374 . 8 1 1 A 39 39 LYS HA H 39 4.623 4.982 -0.359 1
1 383 . 8 1 1 A 39 39 LYS C C 39 174.472 174.826 -0.354 1
1 384 . 8 1 1 A 39 39 LYS CA C 39 54.053 53.414 0.639 1
1 385 . 8 1 1 A 39 39 LYS CB C 39 32.429 34.968 -2.539 1
1 389 . 8 1 1 A 39 39 LYS N N 39 123.622 118.458 5.164 1
1 390 . 8 1 1 A 40 40 PRO HA H 40 4.467 4.620 -0.153 1
1 397 . 8 1 1 A 40 40 PRO CA C 40 63.263 62.348 0.915 1
1 398 . 8 1 1 A 40 40 PRO CB C 40 32.140 33.274 -1.134 1
1 401 . 8 1 1 A 42 42 GLY HA2 H 42 4.163 4.087 0.076 1
1 402 . 8 1 1 A 42 42 GLY HA3 H 42 4.097 4.087 0.010 1
1 403 . 8 1 1 A 42 42 GLY CA C 42 44.650 45.530 -0.880 1
1 404 . 8 1 1 A 43 43 PRO HA H 43 4.432 4.721 -0.289 1
1 411 . 8 1 1 A 43 43 PRO CA C 43 63.073 62.733 0.340 1
1 412 . 8 1 1 A 43 43 PRO CB C 43 32.138 31.535 0.603 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.007 3.823 0.184 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.007 3.824 0.183 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.477 174.521 -0.044 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.398 47.387 -1.989 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.136 8.452 -0.316 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.362 4.449 -0.087 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.239 174.709 0.530 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.653 61.826 -0.173 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.822 68.585 1.237 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.770 118.819 -6.049 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.425 7.869 0.556 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.967 4.107 -0.140 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.897 4.112 -0.215 1
1 19 . 9 1 1 A 9 9 GLY C C 9 173.998 174.243 -0.245 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.295 45.190 0.105 1
1 21 . 9 1 1 A 9 9 GLY N N 9 110.930 112.550 -1.620 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.184 7.832 0.352 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.190 4.765 -0.575 1
1 28 . 9 1 1 A 10 10 GLU C C 10 175.905 175.302 0.603 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.816 54.583 2.233 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.490 32.911 -2.421 1
1 32 . 9 1 1 A 10 10 GLU N N 10 119.839 120.557 -0.718 1
1 33 . 9 1 1 A 11 11 ASN H H 11 8.336 8.741 -0.405 1
1 34 . 9 1 1 A 11 11 ASN HA H 11 4.872 5.424 -0.552 1
1 39 . 9 1 1 A 11 11 ASN C C 11 172.608 174.250 -1.642 1
1 40 . 9 1 1 A 11 11 ASN CA C 11 51.221 50.174 1.047 1
1 41 . 9 1 1 A 11 11 ASN CB C 11 39.327 39.496 -0.169 1
1 42 . 9 1 1 A 11 11 ASN N N 11 119.052 124.036 -4.984 1
1 44 . 9 1 1 A 12 12 PRO HA H 12 4.264 4.360 -0.096 1
1 51 . 9 1 1 A 12 12 PRO C C 12 176.384 175.668 0.716 1
1 52 . 9 1 1 A 12 12 PRO CA C 12 63.452 63.997 -0.545 1
1 53 . 9 1 1 A 12 12 PRO CB C 12 32.238 31.399 0.839 1
1 56 . 9 1 1 A 13 13 TYR H H 13 7.915 7.022 0.893 1
1 57 . 9 1 1 A 13 13 TYR HA H 13 4.630 5.121 -0.491 1
1 64 . 9 1 1 A 13 13 TYR C C 13 174.410 174.469 -0.059 1
1 65 . 9 1 1 A 13 13 TYR CA C 13 57.169 56.588 0.581 1
1 66 . 9 1 1 A 13 13 TYR CB C 13 38.062 39.803 -1.741 1
1 71 . 9 1 1 A 13 13 TYR N N 13 118.491 118.966 -0.475 1
1 72 . 9 1 1 A 14 14 GLU H H 14 8.391 9.026 -0.635 1
1 73 . 9 1 1 A 14 14 GLU HA H 14 4.767 5.403 -0.636 1
1 78 . 9 1 1 A 14 14 GLU C C 14 174.879 175.837 -0.958 1
1 79 . 9 1 1 A 14 14 GLU CA C 14 55.103 54.502 0.601 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 32.827 32.922 -0.095 1
1 82 . 9 1 1 A 14 14 GLU N N 14 124.387 124.361 0.026 1
1 83 . 9 1 1 A 15 15 CYS H H 15 9.266 9.111 0.155 1
1 84 . 9 1 1 A 15 15 CYS HA H 15 4.543 4.638 -0.095 1
1 87 . 9 1 1 A 15 15 CYS C C 15 177.019 176.914 0.105 1
1 88 . 9 1 1 A 15 15 CYS CA C 15 59.235 60.018 -0.783 1
1 89 . 9 1 1 A 15 15 CYS CB C 15 29.540 28.465 1.075 1
1 90 . 9 1 1 A 15 15 CYS N N 15 126.125 124.265 1.860 1
1 91 . 9 1 1 A 16 16 HIS HA H 16 4.581 4.630 -0.049 1
1 96 . 9 1 1 A 16 16 HIS C C 16 175.444 174.779 0.665 1
1 97 . 9 1 1 A 16 16 HIS CA C 16 58.116 56.594 1.522 1
1 98 . 9 1 1 A 16 16 HIS CB C 16 29.448 29.959 -0.511 1
1 101 . 9 1 1 A 16 16 HIS N N 16 120.818 124.636 -3.818 1
1 102 . 9 1 1 A 17 17 GLU H H 17 8.532 7.849 0.683 1
1 103 . 9 1 1 A 17 17 GLU HA H 17 4.154 4.233 -0.079 1
1 108 . 9 1 1 A 17 17 GLU C C 17 177.167 177.666 -0.499 1
1 109 . 9 1 1 A 17 17 GLU CA C 17 58.373 57.002 1.371 1
1 110 . 9 1 1 A 17 17 GLU CB C 17 29.496 31.297 -1.801 1
1 112 . 9 1 1 A 17 17 GLU N N 17 120.802 117.473 3.329 1
1 113 . 9 1 1 A 18 18 CYS H H 18 7.828 8.183 -0.355 1
1 114 . 9 1 1 A 18 18 CYS HA H 18 5.133 4.673 0.460 1
1 117 . 9 1 1 A 18 18 CYS C C 18 176.064 175.441 0.623 1
1 118 . 9 1 1 A 18 18 CYS CA C 18 58.259 59.775 -1.516 1
1 119 . 9 1 1 A 18 18 CYS CB C 18 32.515 29.948 2.567 1
1 120 . 9 1 1 A 18 18 CYS N N 18 114.288 114.636 -0.348 1
1 121 . 9 1 1 A 19 19 GLY H H 19 8.215 8.033 0.182 1
1 122 . 9 1 1 A 19 19 GLY HA2 H 19 3.863 4.090 -0.227 1
1 123 . 9 1 1 A 19 19 GLY HA3 H 19 4.207 4.108 0.099 1
1 124 . 9 1 1 A 19 19 GLY C C 19 173.989 174.603 -0.614 1
1 125 . 9 1 1 A 19 19 GLY CA C 19 46.144 45.093 1.051 1
1 126 . 9 1 1 A 19 19 GLY N N 19 113.636 110.101 3.535 1
1 127 . 9 1 1 A 20 20 LYS H H 20 7.895 7.507 0.388 1
1 128 . 9 1 1 A 20 20 LYS HA H 20 3.938 4.289 -0.351 1
1 137 . 9 1 1 A 20 20 LYS C C 20 173.489 175.397 -1.908 1
1 138 . 9 1 1 A 20 20 LYS CA C 20 57.884 55.851 2.033 1
1 139 . 9 1 1 A 20 20 LYS CB C 20 33.788 33.728 0.060 1
1 143 . 9 1 1 A 20 20 LYS N N 20 122.674 122.005 0.669 1
1 144 . 9 1 1 A 21 21 ALA H H 21 7.745 7.939 -0.194 1
1 145 . 9 1 1 A 21 21 ALA HA H 21 5.041 5.356 -0.315 1
1 149 . 9 1 1 A 21 21 ALA C C 21 176.127 174.945 1.182 1
1 150 . 9 1 1 A 21 21 ALA CA C 21 50.368 50.656 -0.288 1
1 151 . 9 1 1 A 21 21 ALA CB C 21 22.257 23.334 -1.077 1
1 152 . 9 1 1 A 21 21 ALA N N 21 123.181 124.026 -0.845 1
1 153 . 9 1 1 A 22 22 PHE H H 22 8.499 9.269 -0.770 1
1 154 . 9 1 1 A 22 22 PHE HA H 22 4.707 4.923 -0.216 1
1 162 . 9 1 1 A 22 22 PHE C C 22 175.514 175.593 -0.079 1
1 163 . 9 1 1 A 22 22 PHE CA C 22 57.024 56.891 0.133 1
1 164 . 9 1 1 A 22 22 PHE CB C 22 43.573 43.087 0.486 1
1 170 . 9 1 1 A 22 22 PHE N N 22 117.063 117.807 -0.744 1
1 171 . 9 1 1 A 23 23 SER H H 23 8.920 8.478 0.442 1
1 172 . 9 1 1 A 23 23 SER HA H 23 4.679 4.464 0.215 1
1 175 . 9 1 1 A 23 23 SER C C 23 174.739 173.670 1.069 1
1 176 . 9 1 1 A 23 23 SER CA C 23 60.211 61.645 -1.434 1
1 177 . 9 1 1 A 23 23 SER CB C 23 64.285 63.339 0.946 1
1 178 . 9 1 1 A 23 23 SER N N 23 115.806 117.852 -2.046 1
1 179 . 9 1 1 A 24 24 ARG H H 24 7.566 7.956 -0.390 1
1 180 . 9 1 1 A 24 24 ARG HA H 24 4.797 4.621 0.176 1
1 187 . 9 1 1 A 24 24 ARG C C 24 176.488 176.439 0.049 1
1 188 . 9 1 1 A 24 24 ARG CA C 24 53.323 54.192 -0.869 1
1 189 . 9 1 1 A 24 24 ARG CB C 24 33.751 32.040 1.711 1
1 192 . 9 1 1 A 24 24 ARG N N 24 117.138 118.491 -1.353 1
1 193 . 9 1 1 A 25 25 LYS H H 25 8.511 8.400 0.111 1
1 194 . 9 1 1 A 25 25 LYS HA H 25 2.879 2.946 -0.067 1
1 203 . 9 1 1 A 25 25 LYS C C 25 178.784 177.361 1.423 1
1 204 . 9 1 1 A 25 25 LYS CA C 25 59.821 58.371 1.450 1
1 205 . 9 1 1 A 25 25 LYS CB C 25 31.540 31.841 -0.301 1
1 209 . 9 1 1 A 25 25 LYS N N 25 116.581 123.199 -6.618 1
1 210 . 9 1 1 A 26 26 TYR H H 26 8.189 8.150 0.039 1
1 211 . 9 1 1 A 26 26 TYR HA H 26 4.155 4.093 0.062 1
1 218 . 9 1 1 A 26 26 TYR C C 26 177.714 178.401 -0.687 1
1 219 . 9 1 1 A 26 26 TYR CA C 26 60.191 60.809 -0.618 1
1 220 . 9 1 1 A 26 26 TYR CB C 26 36.264 37.221 -0.957 1
1 225 . 9 1 1 A 26 26 TYR N N 26 114.321 118.512 -4.191 1
1 226 . 9 1 1 A 27 27 GLN H H 27 6.421 7.377 -0.956 1
1 227 . 9 1 1 A 27 27 GLN HA H 27 3.781 3.257 0.524 1
1 234 . 9 1 1 A 27 27 GLN C C 27 178.492 177.267 1.225 1
1 235 . 9 1 1 A 27 27 GLN CA C 27 57.318 58.086 -0.768 1
1 236 . 9 1 1 A 27 27 GLN CB C 27 28.324 28.045 0.279 1
1 238 . 9 1 1 A 27 27 GLN N N 27 119.701 120.827 -1.126 1
1 240 . 9 1 1 A 28 28 LEU H H 28 6.727 7.200 -0.473 1
1 241 . 9 1 1 A 28 28 LEU HA H 28 3.340 1.727 1.613 1
1 251 . 9 1 1 A 28 28 LEU C C 28 177.564 178.110 -0.546 1
1 252 . 9 1 1 A 28 28 LEU CA C 28 57.865 56.293 1.572 1
1 253 . 9 1 1 A 28 28 LEU CB C 28 40.440 41.855 -1.415 1
1 257 . 9 1 1 A 28 28 LEU N N 28 121.434 120.689 0.745 1
1 258 . 9 1 1 A 29 29 ILE H H 29 7.970 7.562 0.408 1
1 259 . 9 1 1 A 29 29 ILE HA H 29 3.741 3.451 0.290 1
1 269 . 9 1 1 A 29 29 ILE C C 29 179.163 177.904 1.259 1
1 270 . 9 1 1 A 29 29 ILE CA C 29 64.518 65.299 -0.781 1
1 271 . 9 1 1 A 29 29 ILE CB C 29 37.255 37.678 -0.423 1
1 275 . 9 1 1 A 29 29 ILE N N 29 119.312 120.396 -1.084 1
1 276 . 9 1 1 A 30 30 SER H H 30 7.665 7.926 -0.261 1
1 277 . 9 1 1 A 30 30 SER HA H 30 4.091 4.074 0.017 1
1 280 . 9 1 1 A 30 30 SER C C 30 177.361 176.892 0.469 1
1 281 . 9 1 1 A 30 30 SER CA C 30 61.460 61.042 0.418 1
1 282 . 9 1 1 A 30 30 SER CB C 30 62.526 63.097 -0.571 1
1 283 . 9 1 1 A 30 30 SER N N 30 113.605 115.073 -1.468 1
1 284 . 9 1 1 A 31 31 HIS H H 31 7.600 7.559 0.041 1
1 285 . 9 1 1 A 31 31 HIS HA H 31 4.237 4.340 -0.103 1
1 290 . 9 1 1 A 31 31 HIS C C 31 177.843 177.093 0.750 1
1 291 . 9 1 1 A 31 31 HIS CA C 31 59.125 59.434 -0.309 1
1 292 . 9 1 1 A 31 31 HIS CB C 31 28.478 29.967 -1.489 1
1 295 . 9 1 1 A 31 31 HIS N N 31 120.473 120.557 -0.084 1
1 296 . 9 1 1 A 32 32 GLN H H 32 8.815 8.274 0.541 1
1 297 . 9 1 1 A 32 32 GLN HA H 32 3.691 3.971 -0.280 1
1 304 . 9 1 1 A 32 32 GLN C C 32 178.072 178.595 -0.523 1
1 305 . 9 1 1 A 32 32 GLN CA C 32 59.764 59.228 0.536 1
1 306 . 9 1 1 A 32 32 GLN CB C 32 27.967 28.329 -0.362 1
1 308 . 9 1 1 A 32 32 GLN N N 32 120.188 117.572 2.616 1
1 310 . 9 1 1 A 33 33 ARG H H 33 7.307 7.740 -0.433 1
1 311 . 9 1 1 A 33 33 ARG HA H 33 4.124 4.071 0.053 1
1 318 . 9 1 1 A 33 33 ARG C C 33 178.441 178.852 -0.411 1
1 319 . 9 1 1 A 33 33 ARG CA C 33 58.665 59.249 -0.584 1
1 320 . 9 1 1 A 33 33 ARG CB C 33 29.859 29.912 -0.053 1
1 323 . 9 1 1 A 33 33 ARG N N 33 118.223 120.253 -2.030 1
1 324 . 9 1 1 A 34 34 THR H H 34 7.731 8.418 -0.687 1
1 325 . 9 1 1 A 34 34 THR HA H 34 4.123 3.931 0.192 1
1 330 . 9 1 1 A 34 34 THR C C 34 175.609 177.080 -1.471 1
1 331 . 9 1 1 A 34 34 THR CA C 34 63.859 65.445 -1.586 1
1 332 . 9 1 1 A 34 34 THR CB C 34 69.118 67.818 1.300 1
1 334 . 9 1 1 A 34 34 THR N N 34 109.975 113.077 -3.102 1
1 335 . 9 1 1 A 35 35 HIS H H 35 7.062 7.617 -0.555 1
1 336 . 9 1 1 A 35 35 HIS HA H 35 4.799 4.287 0.512 1
1 341 . 9 1 1 A 35 35 HIS C C 35 175.092 176.527 -1.435 1
1 342 . 9 1 1 A 35 35 HIS CA C 35 55.122 59.400 -4.278 1
1 343 . 9 1 1 A 35 35 HIS CB C 35 28.756 30.385 -1.629 1
1 346 . 9 1 1 A 35 35 HIS N N 35 118.423 119.385 -0.962 1
1 347 . 9 1 1 A 36 36 ALA H H 36 7.630 7.635 -0.005 1
1 348 . 9 1 1 A 36 36 ALA HA H 36 4.347 4.131 0.216 1
1 352 . 9 1 1 A 36 36 ALA C C 36 178.040 177.863 0.177 1
1 353 . 9 1 1 A 36 36 ALA CA C 36 53.136 52.940 0.196 1
1 354 . 9 1 1 A 36 36 ALA CB C 36 19.243 17.776 1.467 1
1 355 . 9 1 1 A 36 36 ALA N N 36 123.035 119.062 3.973 1
1 356 . 9 1 1 A 37 37 GLY H H 37 8.237 8.445 -0.208 1
1 357 . 9 1 1 A 37 37 GLY HA2 H 37 3.966 4.087 -0.121 1
1 358 . 9 1 1 A 37 37 GLY HA3 H 37 3.966 4.093 -0.127 1
1 359 . 9 1 1 A 37 37 GLY C C 37 174.074 173.459 0.615 1
1 360 . 9 1 1 A 37 37 GLY CA C 37 45.231 45.434 -0.203 1
1 361 . 9 1 1 A 37 37 GLY N N 37 107.712 111.143 -3.431 1
1 362 . 9 1 1 A 38 38 GLU H H 38 8.092 7.765 0.327 1
1 363 . 9 1 1 A 38 38 GLU HA H 38 4.283 5.013 -0.730 1
1 368 . 9 1 1 A 38 38 GLU C C 38 176.336 175.079 1.257 1
1 369 . 9 1 1 A 38 38 GLU CA C 38 56.392 54.603 1.789 1
1 370 . 9 1 1 A 38 38 GLU CB C 38 30.516 33.284 -2.768 1
1 372 . 9 1 1 A 38 38 GLU N N 38 120.352 115.644 4.708 1
1 373 . 9 1 1 A 39 39 LYS H H 39 8.396 8.511 -0.115 1
1 374 . 9 1 1 A 39 39 LYS HA H 39 4.623 4.543 0.080 1
1 383 . 9 1 1 A 39 39 LYS C C 39 174.472 174.832 -0.360 1
1 384 . 9 1 1 A 39 39 LYS CA C 39 54.053 54.614 -0.561 1
1 385 . 9 1 1 A 39 39 LYS CB C 39 32.429 31.888 0.541 1
1 389 . 9 1 1 A 39 39 LYS N N 39 123.622 120.991 2.631 1
1 390 . 9 1 1 A 40 40 PRO HA H 40 4.467 4.639 -0.172 1
1 397 . 9 1 1 A 40 40 PRO CA C 40 63.263 62.555 0.708 1
1 398 . 9 1 1 A 40 40 PRO CB C 40 32.140 31.514 0.626 1
1 401 . 9 1 1 A 42 42 GLY HA2 H 42 4.163 4.122 0.041 1
1 402 . 9 1 1 A 42 42 GLY HA3 H 42 4.097 4.129 -0.032 1
1 403 . 9 1 1 A 42 42 GLY CA C 42 44.650 44.031 0.619 1
1 404 . 9 1 1 A 43 43 PRO HA H 43 4.432 4.622 -0.190 1
1 411 . 9 1 1 A 43 43 PRO CA C 43 63.073 62.691 0.382 1
1 412 . 9 1 1 A 43 43 PRO CB C 43 32.138 33.099 -0.961 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.007 4.108 -0.101 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.007 4.111 -0.104 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.477 172.609 1.868 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.398 45.631 -0.233 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.136 8.650 -0.514 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.362 5.106 -0.744 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.239 173.409 1.830 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.653 60.791 0.862 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.822 69.962 -0.140 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.770 116.009 -3.239 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.425 8.257 0.168 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.967 4.157 -0.190 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.897 4.164 -0.267 1
1 19 . 10 1 1 A 9 9 GLY C C 9 173.998 172.240 1.758 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.295 44.483 0.812 1
1 21 . 10 1 1 A 9 9 GLY N N 9 110.930 111.636 -0.706 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.184 8.513 -0.329 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.190 4.232 -0.042 1
1 28 . 10 1 1 A 10 10 GLU C C 10 175.905 175.919 -0.014 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.816 55.985 0.831 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.490 28.712 1.778 1
1 32 . 10 1 1 A 10 10 GLU N N 10 119.839 120.734 -0.895 1
1 33 . 10 1 1 A 11 11 ASN H H 11 8.336 8.033 0.303 1
1 34 . 10 1 1 A 11 11 ASN HA H 11 4.872 5.247 -0.375 1
1 39 . 10 1 1 A 11 11 ASN C C 11 172.608 174.557 -1.949 1
1 40 . 10 1 1 A 11 11 ASN CA C 11 51.221 50.671 0.550 1
1 41 . 10 1 1 A 11 11 ASN CB C 11 39.327 38.673 0.654 1
1 42 . 10 1 1 A 11 11 ASN N N 11 119.052 121.213 -2.161 1
1 44 . 10 1 1 A 12 12 PRO HA H 12 4.264 4.406 -0.142 1
1 51 . 10 1 1 A 12 12 PRO C C 12 176.384 175.675 0.709 1
1 52 . 10 1 1 A 12 12 PRO CA C 12 63.452 63.995 -0.543 1
1 53 . 10 1 1 A 12 12 PRO CB C 12 32.238 31.423 0.815 1
1 56 . 10 1 1 A 13 13 TYR H H 13 7.915 6.995 0.920 1
1 57 . 10 1 1 A 13 13 TYR HA H 13 4.630 5.182 -0.552 1
1 64 . 10 1 1 A 13 13 TYR C C 13 174.410 174.519 -0.109 1
1 65 . 10 1 1 A 13 13 TYR CA C 13 57.169 56.597 0.572 1
1 66 . 10 1 1 A 13 13 TYR CB C 13 38.062 40.107 -2.045 1
1 71 . 10 1 1 A 13 13 TYR N N 13 118.491 118.882 -0.391 1
1 72 . 10 1 1 A 14 14 GLU H H 14 8.391 9.020 -0.629 1
1 73 . 10 1 1 A 14 14 GLU HA H 14 4.767 5.390 -0.623 1
1 78 . 10 1 1 A 14 14 GLU C C 14 174.879 175.521 -0.642 1
1 79 . 10 1 1 A 14 14 GLU CA C 14 55.103 54.799 0.304 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 32.827 32.974 -0.147 1
1 82 . 10 1 1 A 14 14 GLU N N 14 124.387 124.302 0.085 1
1 83 . 10 1 1 A 15 15 CYS H H 15 9.266 9.089 0.177 1
1 84 . 10 1 1 A 15 15 CYS HA H 15 4.543 4.459 0.084 1
1 87 . 10 1 1 A 15 15 CYS C C 15 177.019 175.932 1.087 1
1 88 . 10 1 1 A 15 15 CYS CA C 15 59.235 58.772 0.463 1
1 89 . 10 1 1 A 15 15 CYS CB C 15 29.540 28.001 1.539 1
1 90 . 10 1 1 A 15 15 CYS N N 15 126.125 122.888 3.237 1
1 91 . 10 1 1 A 16 16 HIS HA H 16 4.581 4.496 0.085 1
1 96 . 10 1 1 A 16 16 HIS C C 16 175.444 176.560 -1.116 1
1 97 . 10 1 1 A 16 16 HIS CA C 16 58.116 58.111 0.005 1
1 98 . 10 1 1 A 16 16 HIS CB C 16 29.448 28.805 0.643 1
1 101 . 10 1 1 A 16 16 HIS N N 16 120.818 125.601 -4.783 1
1 102 . 10 1 1 A 17 17 GLU H H 17 8.532 8.057 0.475 1
1 103 . 10 1 1 A 17 17 GLU HA H 17 4.154 4.076 0.078 1
1 108 . 10 1 1 A 17 17 GLU C C 17 177.167 177.963 -0.796 1
1 109 . 10 1 1 A 17 17 GLU CA C 17 58.373 58.487 -0.114 1
1 110 . 10 1 1 A 17 17 GLU CB C 17 29.496 30.056 -0.560 1
1 112 . 10 1 1 A 17 17 GLU N N 17 120.802 120.732 0.070 1
1 113 . 10 1 1 A 18 18 CYS H H 18 7.828 8.122 -0.294 1
1 114 . 10 1 1 A 18 18 CYS HA H 18 5.133 4.711 0.422 1
1 117 . 10 1 1 A 18 18 CYS C C 18 176.064 175.423 0.641 1
1 118 . 10 1 1 A 18 18 CYS CA C 18 58.259 59.755 -1.496 1
1 119 . 10 1 1 A 18 18 CYS CB C 18 32.515 29.928 2.587 1
1 120 . 10 1 1 A 18 18 CYS N N 18 114.288 115.295 -1.007 1
1 121 . 10 1 1 A 19 19 GLY H H 19 8.215 7.693 0.522 1
1 122 . 10 1 1 A 19 19 GLY HA2 H 19 3.863 4.081 -0.218 1
1 123 . 10 1 1 A 19 19 GLY HA3 H 19 4.207 4.090 0.117 1
1 124 . 10 1 1 A 19 19 GLY C C 19 173.989 174.572 -0.583 1
1 125 . 10 1 1 A 19 19 GLY CA C 19 46.144 45.033 1.111 1
1 126 . 10 1 1 A 19 19 GLY N N 19 113.636 109.829 3.807 1
1 127 . 10 1 1 A 20 20 LYS H H 20 7.895 7.435 0.460 1
1 128 . 10 1 1 A 20 20 LYS HA H 20 3.938 4.287 -0.349 1
1 137 . 10 1 1 A 20 20 LYS C C 20 173.489 175.394 -1.905 1
1 138 . 10 1 1 A 20 20 LYS CA C 20 57.884 55.821 2.063 1
1 139 . 10 1 1 A 20 20 LYS CB C 20 33.788 33.743 0.045 1
1 143 . 10 1 1 A 20 20 LYS N N 20 122.674 121.960 0.714 1
1 144 . 10 1 1 A 21 21 ALA H H 21 7.745 7.889 -0.144 1
1 145 . 10 1 1 A 21 21 ALA HA H 21 5.041 5.289 -0.248 1
1 149 . 10 1 1 A 21 21 ALA C C 21 176.127 175.029 1.098 1
1 150 . 10 1 1 A 21 21 ALA CA C 21 50.368 50.636 -0.268 1
1 151 . 10 1 1 A 21 21 ALA CB C 21 22.257 23.295 -1.038 1
1 152 . 10 1 1 A 21 21 ALA N N 21 123.181 124.252 -1.071 1
1 153 . 10 1 1 A 22 22 PHE H H 22 8.499 9.274 -0.775 1
1 154 . 10 1 1 A 22 22 PHE HA H 22 4.707 4.952 -0.245 1
1 162 . 10 1 1 A 22 22 PHE C C 22 175.514 175.570 -0.056 1
1 163 . 10 1 1 A 22 22 PHE CA C 22 57.024 56.813 0.211 1
1 164 . 10 1 1 A 22 22 PHE CB C 22 43.573 43.361 0.212 1
1 170 . 10 1 1 A 22 22 PHE N N 22 117.063 117.787 -0.724 1
1 171 . 10 1 1 A 23 23 SER H H 23 8.920 8.733 0.187 1
1 172 . 10 1 1 A 23 23 SER HA H 23 4.679 4.542 0.137 1
1 175 . 10 1 1 A 23 23 SER C C 23 174.739 173.591 1.148 1
1 176 . 10 1 1 A 23 23 SER CA C 23 60.211 61.528 -1.317 1
1 177 . 10 1 1 A 23 23 SER CB C 23 64.285 63.414 0.871 1
1 178 . 10 1 1 A 23 23 SER N N 23 115.806 117.131 -1.325 1
1 179 . 10 1 1 A 24 24 ARG H H 24 7.566 8.024 -0.458 1
1 180 . 10 1 1 A 24 24 ARG HA H 24 4.797 4.727 0.070 1
1 187 . 10 1 1 A 24 24 ARG C C 24 176.488 176.453 0.035 1
1 188 . 10 1 1 A 24 24 ARG CA C 24 53.323 54.383 -1.060 1
1 189 . 10 1 1 A 24 24 ARG CB C 24 33.751 32.054 1.697 1
1 192 . 10 1 1 A 24 24 ARG N N 24 117.138 118.423 -1.285 1
1 193 . 10 1 1 A 25 25 LYS H H 25 8.511 8.317 0.194 1
1 194 . 10 1 1 A 25 25 LYS HA H 25 2.879 2.770 0.109 1
1 203 . 10 1 1 A 25 25 LYS C C 25 178.784 177.319 1.465 1
1 204 . 10 1 1 A 25 25 LYS CA C 25 59.821 58.450 1.371 1
1 205 . 10 1 1 A 25 25 LYS CB C 25 31.540 31.796 -0.256 1
1 209 . 10 1 1 A 25 25 LYS N N 25 116.581 123.166 -6.585 1
1 210 . 10 1 1 A 26 26 TYR H H 26 8.189 7.960 0.229 1
1 211 . 10 1 1 A 26 26 TYR HA H 26 4.155 4.092 0.063 1
1 218 . 10 1 1 A 26 26 TYR C C 26 177.714 178.296 -0.582 1
1 219 . 10 1 1 A 26 26 TYR CA C 26 60.191 60.730 -0.539 1
1 220 . 10 1 1 A 26 26 TYR CB C 26 36.264 37.215 -0.951 1
1 225 . 10 1 1 A 26 26 TYR N N 26 114.321 118.534 -4.213 1
1 226 . 10 1 1 A 27 27 GLN H H 27 6.421 7.357 -0.936 1
1 227 . 10 1 1 A 27 27 GLN HA H 27 3.781 3.170 0.611 1
1 234 . 10 1 1 A 27 27 GLN C C 27 178.492 177.128 1.364 1
1 235 . 10 1 1 A 27 27 GLN CA C 27 57.318 57.957 -0.639 1
1 236 . 10 1 1 A 27 27 GLN CB C 27 28.324 28.106 0.218 1
1 238 . 10 1 1 A 27 27 GLN N N 27 119.701 120.747 -1.046 1
1 240 . 10 1 1 A 28 28 LEU H H 28 6.727 7.322 -0.595 1
1 241 . 10 1 1 A 28 28 LEU HA H 28 3.340 1.893 1.447 1
1 251 . 10 1 1 A 28 28 LEU C C 28 177.564 177.797 -0.233 1
1 252 . 10 1 1 A 28 28 LEU CA C 28 57.865 56.320 1.545 1
1 253 . 10 1 1 A 28 28 LEU CB C 28 40.440 42.023 -1.583 1
1 257 . 10 1 1 A 28 28 LEU N N 28 121.434 120.460 0.974 1
1 258 . 10 1 1 A 29 29 ILE H H 29 7.970 7.529 0.441 1
1 259 . 10 1 1 A 29 29 ILE HA H 29 3.741 3.462 0.279 1
1 269 . 10 1 1 A 29 29 ILE C C 29 179.163 177.888 1.275 1
1 270 . 10 1 1 A 29 29 ILE CA C 29 64.518 65.242 -0.724 1
1 271 . 10 1 1 A 29 29 ILE CB C 29 37.255 37.603 -0.348 1
1 275 . 10 1 1 A 29 29 ILE N N 29 119.312 120.345 -1.033 1
1 276 . 10 1 1 A 30 30 SER H H 30 7.665 7.987 -0.322 1
1 277 . 10 1 1 A 30 30 SER HA H 30 4.091 4.054 0.037 1
1 280 . 10 1 1 A 30 30 SER C C 30 177.361 176.913 0.448 1
1 281 . 10 1 1 A 30 30 SER CA C 30 61.460 60.873 0.587 1
1 282 . 10 1 1 A 30 30 SER CB C 30 62.526 63.077 -0.551 1
1 283 . 10 1 1 A 30 30 SER N N 30 113.605 115.314 -1.709 1
1 284 . 10 1 1 A 31 31 HIS H H 31 7.600 7.370 0.230 1
1 285 . 10 1 1 A 31 31 HIS HA H 31 4.237 4.294 -0.057 1
1 290 . 10 1 1 A 31 31 HIS C C 31 177.843 177.168 0.675 1
1 291 . 10 1 1 A 31 31 HIS CA C 31 59.125 59.331 -0.206 1
1 292 . 10 1 1 A 31 31 HIS CB C 31 28.478 29.770 -1.292 1
1 295 . 10 1 1 A 31 31 HIS N N 31 120.473 120.573 -0.100 1
1 296 . 10 1 1 A 32 32 GLN H H 32 8.815 8.144 0.671 1
1 297 . 10 1 1 A 32 32 GLN HA H 32 3.691 3.913 -0.222 1
1 304 . 10 1 1 A 32 32 GLN C C 32 178.072 178.766 -0.694 1
1 305 . 10 1 1 A 32 32 GLN CA C 32 59.764 59.135 0.629 1
1 306 . 10 1 1 A 32 32 GLN CB C 32 27.967 28.184 -0.217 1
1 308 . 10 1 1 A 32 32 GLN N N 32 120.188 117.445 2.743 1
1 310 . 10 1 1 A 33 33 ARG H H 33 7.307 7.794 -0.487 1
1 311 . 10 1 1 A 33 33 ARG HA H 33 4.124 4.042 0.082 1
1 318 . 10 1 1 A 33 33 ARG C C 33 178.441 178.718 -0.277 1
1 319 . 10 1 1 A 33 33 ARG CA C 33 58.665 59.344 -0.679 1
1 320 . 10 1 1 A 33 33 ARG CB C 33 29.859 29.818 0.041 1
1 323 . 10 1 1 A 33 33 ARG N N 33 118.223 120.377 -2.154 1
1 324 . 10 1 1 A 34 34 THR H H 34 7.731 8.225 -0.494 1
1 325 . 10 1 1 A 34 34 THR HA H 34 4.123 3.946 0.177 1
1 330 . 10 1 1 A 34 34 THR C C 34 175.609 177.113 -1.504 1
1 331 . 10 1 1 A 34 34 THR CA C 34 63.859 65.428 -1.569 1
1 332 . 10 1 1 A 34 34 THR CB C 34 69.118 67.993 1.125 1
1 334 . 10 1 1 A 34 34 THR N N 34 109.975 112.940 -2.965 1
1 335 . 10 1 1 A 35 35 HIS H H 35 7.062 7.839 -0.777 1
1 336 . 10 1 1 A 35 35 HIS HA H 35 4.799 4.299 0.500 1
1 341 . 10 1 1 A 35 35 HIS C C 35 175.092 176.041 -0.949 1
1 342 . 10 1 1 A 35 35 HIS CA C 35 55.122 59.300 -4.178 1
1 343 . 10 1 1 A 35 35 HIS CB C 35 28.756 30.449 -1.693 1
1 346 . 10 1 1 A 35 35 HIS N N 35 118.423 118.994 -0.571 1
1 347 . 10 1 1 A 36 36 ALA H H 36 7.630 7.397 0.233 1
1 348 . 10 1 1 A 36 36 ALA HA H 36 4.347 3.962 0.385 1
1 352 . 10 1 1 A 36 36 ALA C C 36 178.040 177.676 0.364 1
1 353 . 10 1 1 A 36 36 ALA CA C 36 53.136 53.719 -0.583 1
1 354 . 10 1 1 A 36 36 ALA CB C 36 19.243 19.400 -0.157 1
1 355 . 10 1 1 A 36 36 ALA N N 36 123.035 120.811 2.224 1
1 356 . 10 1 1 A 37 37 GLY H H 37 8.237 8.296 -0.059 1
1 357 . 10 1 1 A 37 37 GLY HA2 H 37 3.966 4.178 -0.212 1
1 358 . 10 1 1 A 37 37 GLY HA3 H 37 3.966 4.183 -0.217 1
1 359 . 10 1 1 A 37 37 GLY C C 37 174.074 173.523 0.551 1
1 360 . 10 1 1 A 37 37 GLY CA C 37 45.231 46.119 -0.888 1
1 361 . 10 1 1 A 37 37 GLY N N 37 107.712 108.213 -0.501 1
1 362 . 10 1 1 A 38 38 GLU H H 38 8.092 8.405 -0.313 1
1 363 . 10 1 1 A 38 38 GLU HA H 38 4.283 4.305 -0.022 1
1 368 . 10 1 1 A 38 38 GLU C C 38 176.336 175.679 0.657 1
1 369 . 10 1 1 A 38 38 GLU CA C 38 56.392 56.678 -0.286 1
1 370 . 10 1 1 A 38 38 GLU CB C 38 30.516 29.749 0.767 1
1 372 . 10 1 1 A 38 38 GLU N N 38 120.352 125.145 -4.793 1
1 373 . 10 1 1 A 39 39 LYS H H 39 8.396 8.364 0.032 1
1 374 . 10 1 1 A 39 39 LYS HA H 39 4.623 4.681 -0.058 1
1 383 . 10 1 1 A 39 39 LYS C C 39 174.472 175.976 -1.504 1
1 384 . 10 1 1 A 39 39 LYS CA C 39 54.053 53.832 0.221 1
1 385 . 10 1 1 A 39 39 LYS CB C 39 32.429 34.143 -1.714 1
1 389 . 10 1 1 A 39 39 LYS N N 39 123.622 126.605 -2.983 1
1 390 . 10 1 1 A 40 40 PRO HA H 40 4.467 4.490 -0.023 1
1 397 . 10 1 1 A 40 40 PRO CA C 40 63.263 64.096 -0.833 1
1 398 . 10 1 1 A 40 40 PRO CB C 40 32.140 31.768 0.372 1
1 401 . 10 1 1 A 42 42 GLY HA2 H 42 4.163 4.038 0.125 1
1 402 . 10 1 1 A 42 42 GLY HA3 H 42 4.097 4.038 0.059 1
1 403 . 10 1 1 A 42 42 GLY CA C 42 44.650 44.559 0.091 1
1 404 . 10 1 1 A 43 43 PRO HA H 43 4.432 4.738 -0.306 1
1 411 . 10 1 1 A 43 43 PRO CA C 43 63.073 62.695 0.378 1
1 412 . 10 1 1 A 43 43 PRO CB C 43 32.138 31.668 0.470 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.007 4.179 -0.172 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.007 4.180 -0.173 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.477 174.988 -0.511 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.398 44.928 0.470 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.136 8.680 -0.544 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.362 4.325 0.037 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.239 173.921 1.318 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.653 63.177 -1.524 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.822 69.576 0.246 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.770 115.798 -3.028 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.425 7.439 0.986 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.967 4.088 -0.121 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.897 4.090 -0.193 1
1 19 . 11 1 1 A 9 9 GLY C C 9 173.998 172.734 1.264 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.295 44.090 1.205 1
1 21 . 11 1 1 A 9 9 GLY N N 9 110.930 108.768 2.162 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.184 8.392 -0.208 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.190 4.863 -0.673 1
1 28 . 11 1 1 A 10 10 GLU C C 10 175.905 175.212 0.693 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.816 55.462 1.354 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.490 30.969 -0.479 1
1 32 . 11 1 1 A 10 10 GLU N N 10 119.839 121.076 -1.237 1
1 33 . 11 1 1 A 11 11 ASN H H 11 8.336 8.761 -0.425 1
1 34 . 11 1 1 A 11 11 ASN HA H 11 4.872 5.339 -0.467 1
1 39 . 11 1 1 A 11 11 ASN C C 11 172.608 174.545 -1.937 1
1 40 . 11 1 1 A 11 11 ASN CA C 11 51.221 50.681 0.540 1
1 41 . 11 1 1 A 11 11 ASN CB C 11 39.327 38.749 0.578 1
1 42 . 11 1 1 A 11 11 ASN N N 11 119.052 122.863 -3.811 1
1 44 . 11 1 1 A 12 12 PRO HA H 12 4.264 4.399 -0.135 1
1 51 . 11 1 1 A 12 12 PRO C C 12 176.384 175.691 0.693 1
1 52 . 11 1 1 A 12 12 PRO CA C 12 63.452 63.986 -0.534 1
1 53 . 11 1 1 A 12 12 PRO CB C 12 32.238 31.430 0.808 1
1 56 . 11 1 1 A 13 13 TYR H H 13 7.915 7.537 0.378 1
1 57 . 11 1 1 A 13 13 TYR HA H 13 4.630 5.158 -0.528 1
1 64 . 11 1 1 A 13 13 TYR C C 13 174.410 174.519 -0.109 1
1 65 . 11 1 1 A 13 13 TYR CA C 13 57.169 56.518 0.651 1
1 66 . 11 1 1 A 13 13 TYR CB C 13 38.062 39.970 -1.908 1
1 71 . 11 1 1 A 13 13 TYR N N 13 118.491 118.892 -0.401 1
1 72 . 11 1 1 A 14 14 GLU H H 14 8.391 8.975 -0.584 1
1 73 . 11 1 1 A 14 14 GLU HA H 14 4.767 5.441 -0.674 1
1 78 . 11 1 1 A 14 14 GLU C C 14 174.879 175.799 -0.920 1
1 79 . 11 1 1 A 14 14 GLU CA C 14 55.103 54.509 0.594 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 32.827 33.208 -0.381 1
1 82 . 11 1 1 A 14 14 GLU N N 14 124.387 124.427 -0.040 1
1 83 . 11 1 1 A 15 15 CYS H H 15 9.266 9.154 0.112 1
1 84 . 11 1 1 A 15 15 CYS HA H 15 4.543 4.688 -0.145 1
1 87 . 11 1 1 A 15 15 CYS C C 15 177.019 176.967 0.052 1
1 88 . 11 1 1 A 15 15 CYS CA C 15 59.235 60.047 -0.812 1
1 89 . 11 1 1 A 15 15 CYS CB C 15 29.540 28.657 0.883 1
1 90 . 11 1 1 A 15 15 CYS N N 15 126.125 124.658 1.467 1
1 91 . 11 1 1 A 16 16 HIS HA H 16 4.581 4.587 -0.006 1
1 96 . 11 1 1 A 16 16 HIS C C 16 175.444 174.713 0.731 1
1 97 . 11 1 1 A 16 16 HIS CA C 16 58.116 56.970 1.146 1
1 98 . 11 1 1 A 16 16 HIS CB C 16 29.448 29.749 -0.301 1
1 101 . 11 1 1 A 16 16 HIS N N 16 120.818 124.934 -4.116 1
1 102 . 11 1 1 A 17 17 GLU H H 17 8.532 8.042 0.490 1
1 103 . 11 1 1 A 17 17 GLU HA H 17 4.154 4.229 -0.075 1
1 108 . 11 1 1 A 17 17 GLU C C 17 177.167 177.768 -0.601 1
1 109 . 11 1 1 A 17 17 GLU CA C 17 58.373 57.043 1.330 1
1 110 . 11 1 1 A 17 17 GLU CB C 17 29.496 31.135 -1.639 1
1 112 . 11 1 1 A 17 17 GLU N N 17 120.802 117.405 3.397 1
1 113 . 11 1 1 A 18 18 CYS H H 18 7.828 8.183 -0.355 1
1 114 . 11 1 1 A 18 18 CYS HA H 18 5.133 4.695 0.438 1
1 117 . 11 1 1 A 18 18 CYS C C 18 176.064 175.456 0.608 1
1 118 . 11 1 1 A 18 18 CYS CA C 18 58.259 59.619 -1.360 1
1 119 . 11 1 1 A 18 18 CYS CB C 18 32.515 30.086 2.429 1
1 120 . 11 1 1 A 18 18 CYS N N 18 114.288 114.599 -0.311 1
1 121 . 11 1 1 A 19 19 GLY H H 19 8.215 8.080 0.135 1
1 122 . 11 1 1 A 19 19 GLY HA2 H 19 3.863 4.085 -0.222 1
1 123 . 11 1 1 A 19 19 GLY HA3 H 19 4.207 4.104 0.103 1
1 124 . 11 1 1 A 19 19 GLY C C 19 173.989 174.620 -0.631 1
1 125 . 11 1 1 A 19 19 GLY CA C 19 46.144 45.176 0.968 1
1 126 . 11 1 1 A 19 19 GLY N N 19 113.636 110.092 3.544 1
1 127 . 11 1 1 A 20 20 LYS H H 20 7.895 7.470 0.425 1
1 128 . 11 1 1 A 20 20 LYS HA H 20 3.938 4.281 -0.343 1
1 137 . 11 1 1 A 20 20 LYS C C 20 173.489 175.360 -1.871 1
1 138 . 11 1 1 A 20 20 LYS CA C 20 57.884 55.845 2.039 1
1 139 . 11 1 1 A 20 20 LYS CB C 20 33.788 33.705 0.083 1
1 143 . 11 1 1 A 20 20 LYS N N 20 122.674 122.003 0.671 1
1 144 . 11 1 1 A 21 21 ALA H H 21 7.745 7.937 -0.192 1
1 145 . 11 1 1 A 21 21 ALA HA H 21 5.041 5.344 -0.303 1
1 149 . 11 1 1 A 21 21 ALA C C 21 176.127 174.799 1.328 1
1 150 . 11 1 1 A 21 21 ALA CA C 21 50.368 50.542 -0.174 1
1 151 . 11 1 1 A 21 21 ALA CB C 21 22.257 22.902 -0.645 1
1 152 . 11 1 1 A 21 21 ALA N N 21 123.181 124.319 -1.138 1
1 153 . 11 1 1 A 22 22 PHE H H 22 8.499 9.290 -0.791 1
1 154 . 11 1 1 A 22 22 PHE HA H 22 4.707 4.928 -0.221 1
1 162 . 11 1 1 A 22 22 PHE C C 22 175.514 175.908 -0.394 1
1 163 . 11 1 1 A 22 22 PHE CA C 22 57.024 56.871 0.153 1
1 164 . 11 1 1 A 22 22 PHE CB C 22 43.573 43.360 0.213 1
1 170 . 11 1 1 A 22 22 PHE N N 22 117.063 118.181 -1.118 1
1 171 . 11 1 1 A 23 23 SER H H 23 8.920 8.793 0.127 1
1 172 . 11 1 1 A 23 23 SER HA H 23 4.679 4.518 0.161 1
1 175 . 11 1 1 A 23 23 SER C C 23 174.739 175.043 -0.304 1
1 176 . 11 1 1 A 23 23 SER CA C 23 60.211 61.684 -1.473 1
1 177 . 11 1 1 A 23 23 SER CB C 23 64.285 63.655 0.630 1
1 178 . 11 1 1 A 23 23 SER N N 23 115.806 116.124 -0.318 1
1 179 . 11 1 1 A 24 24 ARG H H 24 7.566 7.744 -0.178 1
1 180 . 11 1 1 A 24 24 ARG HA H 24 4.797 4.600 0.197 1
1 187 . 11 1 1 A 24 24 ARG C C 24 176.488 176.590 -0.102 1
1 188 . 11 1 1 A 24 24 ARG CA C 24 53.323 54.182 -0.859 1
1 189 . 11 1 1 A 24 24 ARG CB C 24 33.751 32.061 1.690 1
1 192 . 11 1 1 A 24 24 ARG N N 24 117.138 119.307 -2.169 1
1 193 . 11 1 1 A 25 25 LYS H H 25 8.511 8.412 0.099 1
1 194 . 11 1 1 A 25 25 LYS HA H 25 2.879 2.889 -0.010 1
1 203 . 11 1 1 A 25 25 LYS C C 25 178.784 177.359 1.425 1
1 204 . 11 1 1 A 25 25 LYS CA C 25 59.821 58.425 1.396 1
1 205 . 11 1 1 A 25 25 LYS CB C 25 31.540 32.000 -0.460 1
1 209 . 11 1 1 A 25 25 LYS N N 25 116.581 123.204 -6.623 1
1 210 . 11 1 1 A 26 26 TYR H H 26 8.189 8.218 -0.029 1
1 211 . 11 1 1 A 26 26 TYR HA H 26 4.155 4.075 0.080 1
1 218 . 11 1 1 A 26 26 TYR C C 26 177.714 178.480 -0.766 1
1 219 . 11 1 1 A 26 26 TYR CA C 26 60.191 60.819 -0.628 1
1 220 . 11 1 1 A 26 26 TYR CB C 26 36.264 37.168 -0.904 1
1 225 . 11 1 1 A 26 26 TYR N N 26 114.321 118.555 -4.234 1
1 226 . 11 1 1 A 27 27 GLN H H 27 6.421 7.397 -0.976 1
1 227 . 11 1 1 A 27 27 GLN HA H 27 3.781 3.219 0.562 1
1 234 . 11 1 1 A 27 27 GLN C C 27 178.492 177.191 1.301 1
1 235 . 11 1 1 A 27 27 GLN CA C 27 57.318 58.049 -0.731 1
1 236 . 11 1 1 A 27 27 GLN CB C 27 28.324 28.098 0.226 1
1 238 . 11 1 1 A 27 27 GLN N N 27 119.701 120.798 -1.097 1
1 240 . 11 1 1 A 28 28 LEU H H 28 6.727 7.267 -0.540 1
1 241 . 11 1 1 A 28 28 LEU HA H 28 3.340 1.792 1.548 1
1 251 . 11 1 1 A 28 28 LEU C C 28 177.564 178.129 -0.565 1
1 252 . 11 1 1 A 28 28 LEU CA C 28 57.865 56.363 1.502 1
1 253 . 11 1 1 A 28 28 LEU CB C 28 40.440 41.714 -1.274 1
1 257 . 11 1 1 A 28 28 LEU N N 28 121.434 120.749 0.685 1
1 258 . 11 1 1 A 29 29 ILE H H 29 7.970 7.558 0.412 1
1 259 . 11 1 1 A 29 29 ILE HA H 29 3.741 3.458 0.283 1
1 269 . 11 1 1 A 29 29 ILE C C 29 179.163 177.908 1.255 1
1 270 . 11 1 1 A 29 29 ILE CA C 29 64.518 65.245 -0.727 1
1 271 . 11 1 1 A 29 29 ILE CB C 29 37.255 37.707 -0.452 1
1 275 . 11 1 1 A 29 29 ILE N N 29 119.312 120.516 -1.204 1
1 276 . 11 1 1 A 30 30 SER H H 30 7.665 7.962 -0.297 1
1 277 . 11 1 1 A 30 30 SER HA H 30 4.091 4.071 0.020 1
1 280 . 11 1 1 A 30 30 SER C C 30 177.361 176.975 0.386 1
1 281 . 11 1 1 A 30 30 SER CA C 30 61.460 61.042 0.418 1
1 282 . 11 1 1 A 30 30 SER CB C 30 62.526 63.083 -0.557 1
1 283 . 11 1 1 A 30 30 SER N N 30 113.605 115.065 -1.460 1
1 284 . 11 1 1 A 31 31 HIS H H 31 7.600 7.529 0.071 1
1 285 . 11 1 1 A 31 31 HIS HA H 31 4.237 4.330 -0.093 1
1 290 . 11 1 1 A 31 31 HIS C C 31 177.843 177.225 0.618 1
1 291 . 11 1 1 A 31 31 HIS CA C 31 59.125 59.365 -0.240 1
1 292 . 11 1 1 A 31 31 HIS CB C 31 28.478 29.695 -1.217 1
1 295 . 11 1 1 A 31 31 HIS N N 31 120.473 120.581 -0.108 1
1 296 . 11 1 1 A 32 32 GLN H H 32 8.815 8.235 0.580 1
1 297 . 11 1 1 A 32 32 GLN HA H 32 3.691 3.975 -0.284 1
1 304 . 11 1 1 A 32 32 GLN C C 32 178.072 178.541 -0.469 1
1 305 . 11 1 1 A 32 32 GLN CA C 32 59.764 59.029 0.735 1
1 306 . 11 1 1 A 32 32 GLN CB C 32 27.967 28.347 -0.380 1
1 308 . 11 1 1 A 32 32 GLN N N 32 120.188 117.380 2.808 1
1 310 . 11 1 1 A 33 33 ARG H H 33 7.307 7.755 -0.448 1
1 311 . 11 1 1 A 33 33 ARG HA H 33 4.124 4.093 0.031 1
1 318 . 11 1 1 A 33 33 ARG C C 33 178.441 178.917 -0.476 1
1 319 . 11 1 1 A 33 33 ARG CA C 33 58.665 59.250 -0.585 1
1 320 . 11 1 1 A 33 33 ARG CB C 33 29.859 29.816 0.043 1
1 323 . 11 1 1 A 33 33 ARG N N 33 118.223 120.225 -2.002 1
1 324 . 11 1 1 A 34 34 THR H H 34 7.731 8.233 -0.502 1
1 325 . 11 1 1 A 34 34 THR HA H 34 4.123 3.929 0.194 1
1 330 . 11 1 1 A 34 34 THR C C 34 175.609 177.079 -1.470 1
1 331 . 11 1 1 A 34 34 THR CA C 34 63.859 65.521 -1.662 1
1 332 . 11 1 1 A 34 34 THR CB C 34 69.118 67.793 1.325 1
1 334 . 11 1 1 A 34 34 THR N N 34 109.975 112.895 -2.920 1
1 335 . 11 1 1 A 35 35 HIS H H 35 7.062 7.684 -0.622 1
1 336 . 11 1 1 A 35 35 HIS HA H 35 4.799 4.284 0.515 1
1 341 . 11 1 1 A 35 35 HIS C C 35 175.092 176.472 -1.380 1
1 342 . 11 1 1 A 35 35 HIS CA C 35 55.122 59.569 -4.447 1
1 343 . 11 1 1 A 35 35 HIS CB C 35 28.756 30.171 -1.415 1
1 346 . 11 1 1 A 35 35 HIS N N 35 118.423 119.511 -1.088 1
1 347 . 11 1 1 A 36 36 ALA H H 36 7.630 7.577 0.053 1
1 348 . 11 1 1 A 36 36 ALA HA H 36 4.347 4.045 0.302 1
1 352 . 11 1 1 A 36 36 ALA C C 36 178.040 177.427 0.613 1
1 353 . 11 1 1 A 36 36 ALA CA C 36 53.136 53.201 -0.065 1
1 354 . 11 1 1 A 36 36 ALA CB C 36 19.243 18.644 0.599 1
1 355 . 11 1 1 A 36 36 ALA N N 36 123.035 119.568 3.467 1
1 356 . 11 1 1 A 37 37 GLY H H 37 8.237 8.350 -0.113 1
1 357 . 11 1 1 A 37 37 GLY HA2 H 37 3.966 4.140 -0.174 1
1 358 . 11 1 1 A 37 37 GLY HA3 H 37 3.966 4.141 -0.175 1
1 359 . 11 1 1 A 37 37 GLY C C 37 174.074 172.945 1.129 1
1 360 . 11 1 1 A 37 37 GLY CA C 37 45.231 46.044 -0.813 1
1 361 . 11 1 1 A 37 37 GLY N N 37 107.712 109.960 -2.248 1
1 362 . 11 1 1 A 38 38 GLU H H 38 8.092 8.401 -0.309 1
1 363 . 11 1 1 A 38 38 GLU HA H 38 4.283 4.991 -0.708 1
1 368 . 11 1 1 A 38 38 GLU C C 38 176.336 174.543 1.793 1
1 369 . 11 1 1 A 38 38 GLU CA C 38 56.392 55.375 1.017 1
1 370 . 11 1 1 A 38 38 GLU CB C 38 30.516 31.755 -1.239 1
1 372 . 11 1 1 A 38 38 GLU N N 38 120.352 117.257 3.095 1
1 373 . 11 1 1 A 39 39 LYS H H 39 8.396 8.708 -0.312 1
1 374 . 11 1 1 A 39 39 LYS HA H 39 4.623 4.724 -0.101 1
1 383 . 11 1 1 A 39 39 LYS C C 39 174.472 175.969 -1.497 1
1 384 . 11 1 1 A 39 39 LYS CA C 39 54.053 53.463 0.590 1
1 385 . 11 1 1 A 39 39 LYS CB C 39 32.429 34.699 -2.270 1
1 389 . 11 1 1 A 39 39 LYS N N 39 123.622 126.392 -2.770 1
1 390 . 11 1 1 A 40 40 PRO HA H 40 4.467 4.366 0.101 1
1 397 . 11 1 1 A 40 40 PRO CA C 40 63.263 64.969 -1.706 1
1 398 . 11 1 1 A 40 40 PRO CB C 40 32.140 32.000 0.140 1
1 401 . 11 1 1 A 42 42 GLY HA2 H 42 4.163 4.226 -0.063 1
1 402 . 11 1 1 A 42 42 GLY HA3 H 42 4.097 4.226 -0.129 1
1 403 . 11 1 1 A 42 42 GLY CA C 42 44.650 45.223 -0.573 1
1 404 . 11 1 1 A 43 43 PRO HA H 43 4.432 4.682 -0.250 1
1 411 . 11 1 1 A 43 43 PRO CA C 43 63.073 62.548 0.525 1
1 412 . 11 1 1 A 43 43 PRO CB C 43 32.138 33.414 -1.276 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.007 4.176 -0.169 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.007 4.179 -0.172 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.477 172.993 1.484 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.398 43.662 1.736 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.136 8.411 -0.275 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.362 4.486 -0.124 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.239 173.395 1.844 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.653 61.071 0.582 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.822 67.303 2.519 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.770 117.474 -4.704 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.425 8.213 0.212 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.967 4.147 -0.180 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.897 4.152 -0.255 1
1 19 . 12 1 1 A 9 9 GLY C C 9 173.998 172.019 1.979 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.295 44.088 1.207 1
1 21 . 12 1 1 A 9 9 GLY N N 9 110.930 111.427 -0.497 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.184 8.459 -0.275 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.190 4.770 -0.580 1
1 28 . 12 1 1 A 10 10 GLU C C 10 175.905 175.050 0.855 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.816 55.325 1.491 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.490 29.755 0.735 1
1 32 . 12 1 1 A 10 10 GLU N N 10 119.839 121.471 -1.632 1
1 33 . 12 1 1 A 11 11 ASN H H 11 8.336 8.242 0.094 1
1 34 . 12 1 1 A 11 11 ASN HA H 11 4.872 5.311 -0.439 1
1 39 . 12 1 1 A 11 11 ASN C C 11 172.608 174.518 -1.910 1
1 40 . 12 1 1 A 11 11 ASN CA C 11 51.221 50.681 0.540 1
1 41 . 12 1 1 A 11 11 ASN CB C 11 39.327 38.693 0.634 1
1 42 . 12 1 1 A 11 11 ASN N N 11 119.052 120.547 -1.495 1
1 44 . 12 1 1 A 12 12 PRO HA H 12 4.264 4.401 -0.137 1
1 51 . 12 1 1 A 12 12 PRO C C 12 176.384 175.671 0.713 1
1 52 . 12 1 1 A 12 12 PRO CA C 12 63.452 63.986 -0.534 1
1 53 . 12 1 1 A 12 12 PRO CB C 12 32.238 31.411 0.827 1
1 56 . 12 1 1 A 13 13 TYR H H 13 7.915 6.980 0.935 1
1 57 . 12 1 1 A 13 13 TYR HA H 13 4.630 5.239 -0.609 1
1 64 . 12 1 1 A 13 13 TYR C C 13 174.410 174.549 -0.139 1
1 65 . 12 1 1 A 13 13 TYR CA C 13 57.169 56.623 0.546 1
1 66 . 12 1 1 A 13 13 TYR CB C 13 38.062 40.065 -2.003 1
1 71 . 12 1 1 A 13 13 TYR N N 13 118.491 118.967 -0.476 1
1 72 . 12 1 1 A 14 14 GLU H H 14 8.391 9.039 -0.648 1
1 73 . 12 1 1 A 14 14 GLU HA H 14 4.767 5.437 -0.670 1
1 78 . 12 1 1 A 14 14 GLU C C 14 174.879 175.599 -0.720 1
1 79 . 12 1 1 A 14 14 GLU CA C 14 55.103 54.794 0.309 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 32.827 33.139 -0.312 1
1 82 . 12 1 1 A 14 14 GLU N N 14 124.387 124.452 -0.065 1
1 83 . 12 1 1 A 15 15 CYS H H 15 9.266 9.282 -0.016 1
1 84 . 12 1 1 A 15 15 CYS HA H 15 4.543 4.727 -0.184 1
1 87 . 12 1 1 A 15 15 CYS C C 15 177.019 176.005 1.014 1
1 88 . 12 1 1 A 15 15 CYS CA C 15 59.235 58.939 0.296 1
1 89 . 12 1 1 A 15 15 CYS CB C 15 29.540 27.909 1.631 1
1 90 . 12 1 1 A 15 15 CYS N N 15 126.125 123.494 2.631 1
1 91 . 12 1 1 A 16 16 HIS HA H 16 4.581 4.510 0.071 1
1 96 . 12 1 1 A 16 16 HIS C C 16 175.444 176.436 -0.992 1
1 97 . 12 1 1 A 16 16 HIS CA C 16 58.116 58.203 -0.087 1
1 98 . 12 1 1 A 16 16 HIS CB C 16 29.448 28.896 0.552 1
1 101 . 12 1 1 A 16 16 HIS N N 16 120.818 125.683 -4.865 1
1 102 . 12 1 1 A 17 17 GLU H H 17 8.532 8.225 0.307 1
1 103 . 12 1 1 A 17 17 GLU HA H 17 4.154 3.729 0.425 1
1 108 . 12 1 1 A 17 17 GLU C C 17 177.167 177.892 -0.725 1
1 109 . 12 1 1 A 17 17 GLU CA C 17 58.373 58.479 -0.106 1
1 110 . 12 1 1 A 17 17 GLU CB C 17 29.496 29.535 -0.039 1
1 112 . 12 1 1 A 17 17 GLU N N 17 120.802 120.392 0.410 1
1 113 . 12 1 1 A 18 18 CYS H H 18 7.828 7.950 -0.122 1
1 114 . 12 1 1 A 18 18 CYS HA H 18 5.133 4.747 0.386 1
1 117 . 12 1 1 A 18 18 CYS C C 18 176.064 175.696 0.368 1
1 118 . 12 1 1 A 18 18 CYS CA C 18 58.259 59.559 -1.300 1
1 119 . 12 1 1 A 18 18 CYS CB C 18 32.515 30.012 2.503 1
1 120 . 12 1 1 A 18 18 CYS N N 18 114.288 114.883 -0.595 1
1 121 . 12 1 1 A 19 19 GLY H H 19 8.215 7.953 0.262 1
1 122 . 12 1 1 A 19 19 GLY HA2 H 19 3.863 4.095 -0.232 1
1 123 . 12 1 1 A 19 19 GLY HA3 H 19 4.207 4.116 0.091 1
1 124 . 12 1 1 A 19 19 GLY C C 19 173.989 174.644 -0.655 1
1 125 . 12 1 1 A 19 19 GLY CA C 19 46.144 45.005 1.139 1
1 126 . 12 1 1 A 19 19 GLY N N 19 113.636 109.832 3.804 1
1 127 . 12 1 1 A 20 20 LYS H H 20 7.895 7.483 0.412 1
1 128 . 12 1 1 A 20 20 LYS HA H 20 3.938 4.247 -0.309 1
1 137 . 12 1 1 A 20 20 LYS C C 20 173.489 175.452 -1.963 1
1 138 . 12 1 1 A 20 20 LYS CA C 20 57.884 56.040 1.844 1
1 139 . 12 1 1 A 20 20 LYS CB C 20 33.788 33.548 0.240 1
1 143 . 12 1 1 A 20 20 LYS N N 20 122.674 122.250 0.424 1
1 144 . 12 1 1 A 21 21 ALA H H 21 7.745 8.000 -0.255 1
1 145 . 12 1 1 A 21 21 ALA HA H 21 5.041 5.241 -0.200 1
1 149 . 12 1 1 A 21 21 ALA C C 21 176.127 174.870 1.257 1
1 150 . 12 1 1 A 21 21 ALA CA C 21 50.368 50.655 -0.287 1
1 151 . 12 1 1 A 21 21 ALA CB C 21 22.257 22.738 -0.481 1
1 152 . 12 1 1 A 21 21 ALA N N 21 123.181 124.127 -0.946 1
1 153 . 12 1 1 A 22 22 PHE H H 22 8.499 9.299 -0.800 1
1 154 . 12 1 1 A 22 22 PHE HA H 22 4.707 4.961 -0.254 1
1 162 . 12 1 1 A 22 22 PHE C C 22 175.514 175.413 0.101 1
1 163 . 12 1 1 A 22 22 PHE CA C 22 57.024 56.843 0.181 1
1 164 . 12 1 1 A 22 22 PHE CB C 22 43.573 43.384 0.189 1
1 170 . 12 1 1 A 22 22 PHE N N 22 117.063 118.299 -1.236 1
1 171 . 12 1 1 A 23 23 SER H H 23 8.920 8.834 0.086 1
1 172 . 12 1 1 A 23 23 SER HA H 23 4.679 4.566 0.113 1
1 175 . 12 1 1 A 23 23 SER C C 23 174.739 173.650 1.089 1
1 176 . 12 1 1 A 23 23 SER CA C 23 60.211 61.487 -1.276 1
1 177 . 12 1 1 A 23 23 SER CB C 23 64.285 63.612 0.673 1
1 178 . 12 1 1 A 23 23 SER N N 23 115.806 117.301 -1.495 1
1 179 . 12 1 1 A 24 24 ARG H H 24 7.566 8.061 -0.495 1
1 180 . 12 1 1 A 24 24 ARG HA H 24 4.797 4.770 0.027 1
1 187 . 12 1 1 A 24 24 ARG C C 24 176.488 176.464 0.024 1
1 188 . 12 1 1 A 24 24 ARG CA C 24 53.323 54.468 -1.145 1
1 189 . 12 1 1 A 24 24 ARG CB C 24 33.751 32.077 1.674 1
1 192 . 12 1 1 A 24 24 ARG N N 24 117.138 118.754 -1.616 1
1 193 . 12 1 1 A 25 25 LYS H H 25 8.511 8.358 0.153 1
1 194 . 12 1 1 A 25 25 LYS HA H 25 2.879 2.649 0.230 1
1 203 . 12 1 1 A 25 25 LYS C C 25 178.784 177.339 1.445 1
1 204 . 12 1 1 A 25 25 LYS CA C 25 59.821 58.376 1.445 1
1 205 . 12 1 1 A 25 25 LYS CB C 25 31.540 31.794 -0.254 1
1 209 . 12 1 1 A 25 25 LYS N N 25 116.581 123.183 -6.602 1
1 210 . 12 1 1 A 26 26 TYR H H 26 8.189 8.005 0.184 1
1 211 . 12 1 1 A 26 26 TYR HA H 26 4.155 4.096 0.059 1
1 218 . 12 1 1 A 26 26 TYR C C 26 177.714 178.398 -0.684 1
1 219 . 12 1 1 A 26 26 TYR CA C 26 60.191 60.664 -0.473 1
1 220 . 12 1 1 A 26 26 TYR CB C 26 36.264 37.154 -0.890 1
1 225 . 12 1 1 A 26 26 TYR N N 26 114.321 118.583 -4.262 1
1 226 . 12 1 1 A 27 27 GLN H H 27 6.421 7.301 -0.880 1
1 227 . 12 1 1 A 27 27 GLN HA H 27 3.781 3.188 0.593 1
1 234 . 12 1 1 A 27 27 GLN C C 27 178.492 177.257 1.235 1
1 235 . 12 1 1 A 27 27 GLN CA C 27 57.318 57.939 -0.621 1
1 236 . 12 1 1 A 27 27 GLN CB C 27 28.324 28.105 0.219 1
1 238 . 12 1 1 A 27 27 GLN N N 27 119.701 120.828 -1.127 1
1 240 . 12 1 1 A 28 28 LEU H H 28 6.727 7.369 -0.642 1
1 241 . 12 1 1 A 28 28 LEU HA H 28 3.340 1.832 1.508 1
1 251 . 12 1 1 A 28 28 LEU C C 28 177.564 177.895 -0.331 1
1 252 . 12 1 1 A 28 28 LEU CA C 28 57.865 56.287 1.578 1
1 253 . 12 1 1 A 28 28 LEU CB C 28 40.440 41.951 -1.511 1
1 257 . 12 1 1 A 28 28 LEU N N 28 121.434 120.465 0.969 1
1 258 . 12 1 1 A 29 29 ILE H H 29 7.970 7.507 0.463 1
1 259 . 12 1 1 A 29 29 ILE HA H 29 3.741 3.449 0.292 1
1 269 . 12 1 1 A 29 29 ILE C C 29 179.163 177.777 1.386 1
1 270 . 12 1 1 A 29 29 ILE CA C 29 64.518 65.282 -0.764 1
1 271 . 12 1 1 A 29 29 ILE CB C 29 37.255 37.467 -0.212 1
1 275 . 12 1 1 A 29 29 ILE N N 29 119.312 120.373 -1.061 1
1 276 . 12 1 1 A 30 30 SER H H 30 7.665 7.981 -0.316 1
1 277 . 12 1 1 A 30 30 SER HA H 30 4.091 4.059 0.032 1
1 280 . 12 1 1 A 30 30 SER C C 30 177.361 176.913 0.448 1
1 281 . 12 1 1 A 30 30 SER CA C 30 61.460 60.894 0.566 1
1 282 . 12 1 1 A 30 30 SER CB C 30 62.526 63.114 -0.588 1
1 283 . 12 1 1 A 30 30 SER N N 30 113.605 115.137 -1.532 1
1 284 . 12 1 1 A 31 31 HIS H H 31 7.600 7.535 0.065 1
1 285 . 12 1 1 A 31 31 HIS HA H 31 4.237 4.353 -0.116 1
1 290 . 12 1 1 A 31 31 HIS C C 31 177.843 177.445 0.398 1
1 291 . 12 1 1 A 31 31 HIS CA C 31 59.125 59.355 -0.230 1
1 292 . 12 1 1 A 31 31 HIS CB C 31 28.478 30.033 -1.555 1
1 295 . 12 1 1 A 31 31 HIS N N 31 120.473 120.648 -0.175 1
1 296 . 12 1 1 A 32 32 GLN H H 32 8.815 8.250 0.565 1
1 297 . 12 1 1 A 32 32 GLN HA H 32 3.691 3.978 -0.287 1
1 304 . 12 1 1 A 32 32 GLN C C 32 178.072 178.681 -0.609 1
1 305 . 12 1 1 A 32 32 GLN CA C 32 59.764 59.244 0.520 1
1 306 . 12 1 1 A 32 32 GLN CB C 32 27.967 28.242 -0.275 1
1 308 . 12 1 1 A 32 32 GLN N N 32 120.188 117.616 2.572 1
1 310 . 12 1 1 A 33 33 ARG H H 33 7.307 7.731 -0.424 1
1 311 . 12 1 1 A 33 33 ARG HA H 33 4.124 3.956 0.168 1
1 318 . 12 1 1 A 33 33 ARG C C 33 178.441 178.602 -0.161 1
1 319 . 12 1 1 A 33 33 ARG CA C 33 58.665 59.248 -0.583 1
1 320 . 12 1 1 A 33 33 ARG CB C 33 29.859 30.019 -0.160 1
1 323 . 12 1 1 A 33 33 ARG N N 33 118.223 119.743 -1.520 1
1 324 . 12 1 1 A 34 34 THR H H 34 7.731 8.143 -0.412 1
1 325 . 12 1 1 A 34 34 THR HA H 34 4.123 3.978 0.145 1
1 330 . 12 1 1 A 34 34 THR C C 34 175.609 177.047 -1.438 1
1 331 . 12 1 1 A 34 34 THR CA C 34 63.859 65.387 -1.528 1
1 332 . 12 1 1 A 34 34 THR CB C 34 69.118 67.983 1.135 1
1 334 . 12 1 1 A 34 34 THR N N 34 109.975 112.702 -2.727 1
1 335 . 12 1 1 A 35 35 HIS H H 35 7.062 8.101 -1.039 1
1 336 . 12 1 1 A 35 35 HIS HA H 35 4.799 4.299 0.500 1
1 341 . 12 1 1 A 35 35 HIS C C 35 175.092 176.120 -1.028 1
1 342 . 12 1 1 A 35 35 HIS CA C 35 55.122 59.734 -4.612 1
1 343 . 12 1 1 A 35 35 HIS CB C 35 28.756 30.257 -1.501 1
1 346 . 12 1 1 A 35 35 HIS N N 35 118.423 119.477 -1.054 1
1 347 . 12 1 1 A 36 36 ALA H H 36 7.630 7.246 0.384 1
1 348 . 12 1 1 A 36 36 ALA HA H 36 4.347 4.072 0.275 1
1 352 . 12 1 1 A 36 36 ALA C C 36 178.040 177.375 0.665 1
1 353 . 12 1 1 A 36 36 ALA CA C 36 53.136 53.266 -0.130 1
1 354 . 12 1 1 A 36 36 ALA CB C 36 19.243 19.895 -0.652 1
1 355 . 12 1 1 A 36 36 ALA N N 36 123.035 121.215 1.820 1
1 356 . 12 1 1 A 37 37 GLY H H 37 8.237 8.530 -0.293 1
1 357 . 12 1 1 A 37 37 GLY HA2 H 37 3.966 4.233 -0.267 1
1 358 . 12 1 1 A 37 37 GLY HA3 H 37 3.966 4.233 -0.267 1
1 359 . 12 1 1 A 37 37 GLY C C 37 174.074 173.295 0.779 1
1 360 . 12 1 1 A 37 37 GLY CA C 37 45.231 45.086 0.145 1
1 361 . 12 1 1 A 37 37 GLY N N 37 107.712 106.786 0.926 1
1 362 . 12 1 1 A 38 38 GLU H H 38 8.092 8.478 -0.386 1
1 363 . 12 1 1 A 38 38 GLU HA H 38 4.283 4.618 -0.335 1
1 368 . 12 1 1 A 38 38 GLU C C 38 176.336 176.144 0.192 1
1 369 . 12 1 1 A 38 38 GLU CA C 38 56.392 55.891 0.501 1
1 370 . 12 1 1 A 38 38 GLU CB C 38 30.516 29.776 0.740 1
1 372 . 12 1 1 A 38 38 GLU N N 38 120.352 119.156 1.196 1
1 373 . 12 1 1 A 39 39 LYS H H 39 8.396 8.333 0.063 1
1 374 . 12 1 1 A 39 39 LYS HA H 39 4.623 4.802 -0.179 1
1 383 . 12 1 1 A 39 39 LYS C C 39 174.472 176.181 -1.709 1
1 384 . 12 1 1 A 39 39 LYS CA C 39 54.053 53.268 0.785 1
1 385 . 12 1 1 A 39 39 LYS CB C 39 32.429 34.513 -2.084 1
1 389 . 12 1 1 A 39 39 LYS N N 39 123.622 124.861 -1.239 1
1 390 . 12 1 1 A 40 40 PRO HA H 40 4.467 4.503 -0.036 1
1 397 . 12 1 1 A 40 40 PRO CA C 40 63.263 63.825 -0.562 1
1 398 . 12 1 1 A 40 40 PRO CB C 40 32.140 31.780 0.360 1
1 401 . 12 1 1 A 42 42 GLY HA2 H 42 4.163 4.095 0.068 1
1 402 . 12 1 1 A 42 42 GLY HA3 H 42 4.097 4.095 0.002 1
1 403 . 12 1 1 A 42 42 GLY CA C 42 44.650 44.159 0.491 1
1 404 . 12 1 1 A 43 43 PRO HA H 43 4.432 4.520 -0.088 1
1 411 . 12 1 1 A 43 43 PRO CA C 43 63.073 62.681 0.392 1
1 412 . 12 1 1 A 43 43 PRO CB C 43 32.138 32.456 -0.318 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.007 4.097 -0.090 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.007 4.102 -0.095 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.477 174.637 -0.160 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.398 45.566 -0.168 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.136 7.910 0.226 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.362 4.723 -0.361 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.239 173.867 1.372 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.653 61.807 -0.154 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.822 69.911 -0.089 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.770 115.758 -2.988 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.425 8.367 0.058 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.967 4.162 -0.195 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.897 4.170 -0.273 1
1 19 . 13 1 1 A 9 9 GLY C C 9 173.998 172.462 1.536 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.295 44.515 0.780 1
1 21 . 13 1 1 A 9 9 GLY N N 9 110.930 114.226 -3.296 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.184 8.564 -0.380 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.190 4.395 -0.205 1
1 28 . 13 1 1 A 10 10 GLU C C 10 175.905 175.490 0.415 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.816 55.732 1.084 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.490 28.187 2.303 1
1 32 . 13 1 1 A 10 10 GLU N N 10 119.839 120.843 -1.004 1
1 33 . 13 1 1 A 11 11 ASN H H 11 8.336 7.903 0.433 1
1 34 . 13 1 1 A 11 11 ASN HA H 11 4.872 5.624 -0.752 1
1 39 . 13 1 1 A 11 11 ASN C C 11 172.608 173.685 -1.077 1
1 40 . 13 1 1 A 11 11 ASN CA C 11 51.221 50.419 0.802 1
1 41 . 13 1 1 A 11 11 ASN CB C 11 39.327 39.311 0.016 1
1 42 . 13 1 1 A 11 11 ASN N N 11 119.052 123.249 -4.197 1
1 44 . 13 1 1 A 12 12 PRO HA H 12 4.264 4.437 -0.173 1
1 51 . 13 1 1 A 12 12 PRO C C 12 176.384 175.582 0.802 1
1 52 . 13 1 1 A 12 12 PRO CA C 12 63.452 64.047 -0.595 1
1 53 . 13 1 1 A 12 12 PRO CB C 12 32.238 31.478 0.760 1
1 56 . 13 1 1 A 13 13 TYR H H 13 7.915 7.125 0.790 1
1 57 . 13 1 1 A 13 13 TYR HA H 13 4.630 5.055 -0.425 1
1 64 . 13 1 1 A 13 13 TYR C C 13 174.410 174.494 -0.084 1
1 65 . 13 1 1 A 13 13 TYR CA C 13 57.169 56.671 0.498 1
1 66 . 13 1 1 A 13 13 TYR CB C 13 38.062 39.717 -1.655 1
1 71 . 13 1 1 A 13 13 TYR N N 13 118.491 119.151 -0.660 1
1 72 . 13 1 1 A 14 14 GLU H H 14 8.391 9.067 -0.676 1
1 73 . 13 1 1 A 14 14 GLU HA H 14 4.767 5.312 -0.545 1
1 78 . 13 1 1 A 14 14 GLU C C 14 174.879 175.742 -0.863 1
1 79 . 13 1 1 A 14 14 GLU CA C 14 55.103 54.637 0.466 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 32.827 32.972 -0.145 1
1 82 . 13 1 1 A 14 14 GLU N N 14 124.387 124.406 -0.019 1
1 83 . 13 1 1 A 15 15 CYS H H 15 9.266 9.067 0.199 1
1 84 . 13 1 1 A 15 15 CYS HA H 15 4.543 4.468 0.075 1
1 87 . 13 1 1 A 15 15 CYS C C 15 177.019 176.763 0.256 1
1 88 . 13 1 1 A 15 15 CYS CA C 15 59.235 59.450 -0.215 1
1 89 . 13 1 1 A 15 15 CYS CB C 15 29.540 28.290 1.250 1
1 90 . 13 1 1 A 15 15 CYS N N 15 126.125 123.863 2.262 1
1 91 . 13 1 1 A 16 16 HIS HA H 16 4.581 4.578 0.003 1
1 96 . 13 1 1 A 16 16 HIS C C 16 175.444 174.812 0.632 1
1 97 . 13 1 1 A 16 16 HIS CA C 16 58.116 56.845 1.271 1
1 98 . 13 1 1 A 16 16 HIS CB C 16 29.448 29.786 -0.338 1
1 101 . 13 1 1 A 16 16 HIS N N 16 120.818 124.940 -4.122 1
1 102 . 13 1 1 A 17 17 GLU H H 17 8.532 8.027 0.505 1
1 103 . 13 1 1 A 17 17 GLU HA H 17 4.154 4.395 -0.241 1
1 108 . 13 1 1 A 17 17 GLU C C 17 177.167 177.727 -0.560 1
1 109 . 13 1 1 A 17 17 GLU CA C 17 58.373 57.202 1.171 1
1 110 . 13 1 1 A 17 17 GLU CB C 17 29.496 31.000 -1.504 1
1 112 . 13 1 1 A 17 17 GLU N N 17 120.802 117.890 2.912 1
1 113 . 13 1 1 A 18 18 CYS H H 18 7.828 8.172 -0.344 1
1 114 . 13 1 1 A 18 18 CYS HA H 18 5.133 4.688 0.445 1
1 117 . 13 1 1 A 18 18 CYS C C 18 176.064 175.342 0.722 1
1 118 . 13 1 1 A 18 18 CYS CA C 18 58.259 59.751 -1.492 1
1 119 . 13 1 1 A 18 18 CYS CB C 18 32.515 29.823 2.692 1
1 120 . 13 1 1 A 18 18 CYS N N 18 114.288 114.846 -0.558 1
1 121 . 13 1 1 A 19 19 GLY H H 19 8.215 7.991 0.224 1
1 122 . 13 1 1 A 19 19 GLY HA2 H 19 3.863 4.079 -0.216 1
1 123 . 13 1 1 A 19 19 GLY HA3 H 19 4.207 4.089 0.118 1
1 124 . 13 1 1 A 19 19 GLY C C 19 173.989 174.526 -0.537 1
1 125 . 13 1 1 A 19 19 GLY CA C 19 46.144 45.028 1.116 1
1 126 . 13 1 1 A 19 19 GLY N N 19 113.636 109.835 3.801 1
1 127 . 13 1 1 A 20 20 LYS H H 20 7.895 7.447 0.448 1
1 128 . 13 1 1 A 20 20 LYS HA H 20 3.938 4.237 -0.299 1
1 137 . 13 1 1 A 20 20 LYS C C 20 173.489 175.460 -1.971 1
1 138 . 13 1 1 A 20 20 LYS CA C 20 57.884 56.013 1.871 1
1 139 . 13 1 1 A 20 20 LYS CB C 20 33.788 33.766 0.022 1
1 143 . 13 1 1 A 20 20 LYS N N 20 122.674 122.178 0.496 1
1 144 . 13 1 1 A 21 21 ALA H H 21 7.745 7.950 -0.205 1
1 145 . 13 1 1 A 21 21 ALA HA H 21 5.041 5.280 -0.239 1
1 149 . 13 1 1 A 21 21 ALA C C 21 176.127 175.048 1.079 1
1 150 . 13 1 1 A 21 21 ALA CA C 21 50.368 50.534 -0.166 1
1 151 . 13 1 1 A 21 21 ALA CB C 21 22.257 23.346 -1.089 1
1 152 . 13 1 1 A 21 21 ALA N N 21 123.181 123.923 -0.742 1
1 153 . 13 1 1 A 22 22 PHE H H 22 8.499 9.298 -0.799 1
1 154 . 13 1 1 A 22 22 PHE HA H 22 4.707 4.964 -0.257 1
1 162 . 13 1 1 A 22 22 PHE C C 22 175.514 175.572 -0.058 1
1 163 . 13 1 1 A 22 22 PHE CA C 22 57.024 56.811 0.213 1
1 164 . 13 1 1 A 22 22 PHE CB C 22 43.573 43.291 0.282 1
1 170 . 13 1 1 A 22 22 PHE N N 22 117.063 117.466 -0.403 1
1 171 . 13 1 1 A 23 23 SER H H 23 8.920 8.985 -0.065 1
1 172 . 13 1 1 A 23 23 SER HA H 23 4.679 4.562 0.117 1
1 175 . 13 1 1 A 23 23 SER C C 23 174.739 173.836 0.903 1
1 176 . 13 1 1 A 23 23 SER CA C 23 60.211 61.453 -1.242 1
1 177 . 13 1 1 A 23 23 SER CB C 23 64.285 63.510 0.775 1
1 178 . 13 1 1 A 23 23 SER N N 23 115.806 117.531 -1.725 1
1 179 . 13 1 1 A 24 24 ARG H H 24 7.566 7.875 -0.309 1
1 180 . 13 1 1 A 24 24 ARG HA H 24 4.797 4.613 0.184 1
1 187 . 13 1 1 A 24 24 ARG C C 24 176.488 176.732 -0.244 1
1 188 . 13 1 1 A 24 24 ARG CA C 24 53.323 54.178 -0.855 1
1 189 . 13 1 1 A 24 24 ARG CB C 24 33.751 32.353 1.398 1
1 192 . 13 1 1 A 24 24 ARG N N 24 117.138 118.870 -1.732 1
1 193 . 13 1 1 A 25 25 LYS H H 25 8.511 8.508 0.003 1
1 194 . 13 1 1 A 25 25 LYS HA H 25 2.879 2.968 -0.089 1
1 203 . 13 1 1 A 25 25 LYS C C 25 178.784 177.521 1.263 1
1 204 . 13 1 1 A 25 25 LYS CA C 25 59.821 58.246 1.575 1
1 205 . 13 1 1 A 25 25 LYS CB C 25 31.540 32.052 -0.512 1
1 209 . 13 1 1 A 25 25 LYS N N 25 116.581 122.895 -6.314 1
1 210 . 13 1 1 A 26 26 TYR H H 26 8.189 7.984 0.205 1
1 211 . 13 1 1 A 26 26 TYR HA H 26 4.155 4.090 0.065 1
1 218 . 13 1 1 A 26 26 TYR C C 26 177.714 178.118 -0.404 1
1 219 . 13 1 1 A 26 26 TYR CA C 26 60.191 60.765 -0.574 1
1 220 . 13 1 1 A 26 26 TYR CB C 26 36.264 37.179 -0.915 1
1 225 . 13 1 1 A 26 26 TYR N N 26 114.321 118.585 -4.264 1
1 226 . 13 1 1 A 27 27 GLN H H 27 6.421 7.588 -1.167 1
1 227 . 13 1 1 A 27 27 GLN HA H 27 3.781 3.146 0.635 1
1 234 . 13 1 1 A 27 27 GLN C C 27 178.492 177.013 1.479 1
1 235 . 13 1 1 A 27 27 GLN CA C 27 57.318 58.046 -0.728 1
1 236 . 13 1 1 A 27 27 GLN CB C 27 28.324 28.083 0.241 1
1 238 . 13 1 1 A 27 27 GLN N N 27 119.701 120.872 -1.171 1
1 240 . 13 1 1 A 28 28 LEU H H 28 6.727 7.238 -0.511 1
1 241 . 13 1 1 A 28 28 LEU HA H 28 3.340 1.800 1.540 1
1 251 . 13 1 1 A 28 28 LEU C C 28 177.564 178.088 -0.524 1
1 252 . 13 1 1 A 28 28 LEU CA C 28 57.865 56.340 1.525 1
1 253 . 13 1 1 A 28 28 LEU CB C 28 40.440 41.744 -1.304 1
1 257 . 13 1 1 A 28 28 LEU N N 28 121.434 120.633 0.801 1
1 258 . 13 1 1 A 29 29 ILE H H 29 7.970 7.543 0.427 1
1 259 . 13 1 1 A 29 29 ILE HA H 29 3.741 3.419 0.322 1
1 269 . 13 1 1 A 29 29 ILE C C 29 179.163 177.868 1.295 1
1 270 . 13 1 1 A 29 29 ILE CA C 29 64.518 65.268 -0.750 1
1 271 . 13 1 1 A 29 29 ILE CB C 29 37.255 37.658 -0.403 1
1 275 . 13 1 1 A 29 29 ILE N N 29 119.312 120.471 -1.159 1
1 276 . 13 1 1 A 30 30 SER H H 30 7.665 7.931 -0.266 1
1 277 . 13 1 1 A 30 30 SER HA H 30 4.091 4.042 0.049 1
1 280 . 13 1 1 A 30 30 SER C C 30 177.361 176.859 0.502 1
1 281 . 13 1 1 A 30 30 SER CA C 30 61.460 60.957 0.503 1
1 282 . 13 1 1 A 30 30 SER CB C 30 62.526 63.032 -0.506 1
1 283 . 13 1 1 A 30 30 SER N N 30 113.605 115.099 -1.494 1
1 284 . 13 1 1 A 31 31 HIS H H 31 7.600 7.471 0.129 1
1 285 . 13 1 1 A 31 31 HIS HA H 31 4.237 4.301 -0.064 1
1 290 . 13 1 1 A 31 31 HIS C C 31 177.843 177.123 0.720 1
1 291 . 13 1 1 A 31 31 HIS CA C 31 59.125 59.390 -0.265 1
1 292 . 13 1 1 A 31 31 HIS CB C 31 28.478 29.728 -1.250 1
1 295 . 13 1 1 A 31 31 HIS N N 31 120.473 120.512 -0.039 1
1 296 . 13 1 1 A 32 32 GLN H H 32 8.815 8.163 0.652 1
1 297 . 13 1 1 A 32 32 GLN HA H 32 3.691 3.940 -0.249 1
1 304 . 13 1 1 A 32 32 GLN C C 32 178.072 178.549 -0.477 1
1 305 . 13 1 1 A 32 32 GLN CA C 32 59.764 58.995 0.769 1
1 306 . 13 1 1 A 32 32 GLN CB C 32 27.967 28.276 -0.309 1
1 308 . 13 1 1 A 32 32 GLN N N 32 120.188 117.499 2.689 1
1 310 . 13 1 1 A 33 33 ARG H H 33 7.307 7.763 -0.456 1
1 311 . 13 1 1 A 33 33 ARG HA H 33 4.124 4.045 0.079 1
1 318 . 13 1 1 A 33 33 ARG C C 33 178.441 178.839 -0.398 1
1 319 . 13 1 1 A 33 33 ARG CA C 33 58.665 59.200 -0.535 1
1 320 . 13 1 1 A 33 33 ARG CB C 33 29.859 29.943 -0.084 1
1 323 . 13 1 1 A 33 33 ARG N N 33 118.223 120.356 -2.133 1
1 324 . 13 1 1 A 34 34 THR H H 34 7.731 8.300 -0.569 1
1 325 . 13 1 1 A 34 34 THR HA H 34 4.123 3.908 0.215 1
1 330 . 13 1 1 A 34 34 THR C C 34 175.609 177.158 -1.549 1
1 331 . 13 1 1 A 34 34 THR CA C 34 63.859 65.591 -1.732 1
1 332 . 13 1 1 A 34 34 THR CB C 34 69.118 67.745 1.373 1
1 334 . 13 1 1 A 34 34 THR N N 34 109.975 113.146 -3.171 1
1 335 . 13 1 1 A 35 35 HIS H H 35 7.062 7.878 -0.816 1
1 336 . 13 1 1 A 35 35 HIS HA H 35 4.799 4.269 0.530 1
1 341 . 13 1 1 A 35 35 HIS C C 35 175.092 177.839 -2.747 1
1 342 . 13 1 1 A 35 35 HIS CA C 35 55.122 60.102 -4.980 1
1 343 . 13 1 1 A 35 35 HIS CB C 35 28.756 29.857 -1.101 1
1 346 . 13 1 1 A 35 35 HIS N N 35 118.423 119.651 -1.228 1
1 347 . 13 1 1 A 36 36 ALA H H 36 7.630 8.408 -0.778 1
1 348 . 13 1 1 A 36 36 ALA HA H 36 4.347 3.971 0.376 1
1 352 . 13 1 1 A 36 36 ALA C C 36 178.040 179.380 -1.340 1
1 353 . 13 1 1 A 36 36 ALA CA C 36 53.136 55.244 -2.108 1
1 354 . 13 1 1 A 36 36 ALA CB C 36 19.243 18.190 1.053 1
1 355 . 13 1 1 A 36 36 ALA N N 36 123.035 122.028 1.007 1
1 356 . 13 1 1 A 37 37 GLY H H 37 8.237 7.632 0.605 1
1 357 . 13 1 1 A 37 37 GLY HA2 H 37 3.966 4.051 -0.085 1
1 358 . 13 1 1 A 37 37 GLY HA3 H 37 3.966 4.061 -0.095 1
1 359 . 13 1 1 A 37 37 GLY C C 37 174.074 174.112 -0.038 1
1 360 . 13 1 1 A 37 37 GLY CA C 37 45.231 44.293 0.938 1
1 361 . 13 1 1 A 37 37 GLY N N 37 107.712 106.610 1.102 1
1 362 . 13 1 1 A 38 38 GLU H H 38 8.092 8.860 -0.768 1
1 363 . 13 1 1 A 38 38 GLU HA H 38 4.283 3.825 0.458 1
1 368 . 13 1 1 A 38 38 GLU C C 38 176.336 174.670 1.666 1
1 369 . 13 1 1 A 38 38 GLU CA C 38 56.392 57.420 -1.028 1
1 370 . 13 1 1 A 38 38 GLU CB C 38 30.516 27.482 3.034 1
1 372 . 13 1 1 A 38 38 GLU N N 38 120.352 117.429 2.923 1
1 373 . 13 1 1 A 39 39 LYS H H 39 8.396 7.748 0.648 1
1 374 . 13 1 1 A 39 39 LYS HA H 39 4.623 4.794 -0.171 1
1 383 . 13 1 1 A 39 39 LYS C C 39 174.472 175.488 -1.016 1
1 384 . 13 1 1 A 39 39 LYS CA C 39 54.053 52.755 1.298 1
1 385 . 13 1 1 A 39 39 LYS CB C 39 32.429 35.806 -3.377 1
1 389 . 13 1 1 A 39 39 LYS N N 39 123.622 119.017 4.605 1
1 390 . 13 1 1 A 40 40 PRO HA H 40 4.467 4.429 0.038 1
1 397 . 13 1 1 A 40 40 PRO CA C 40 63.263 63.916 -0.653 1
1 398 . 13 1 1 A 40 40 PRO CB C 40 32.140 32.222 -0.082 1
1 401 . 13 1 1 A 42 42 GLY HA2 H 42 4.163 4.278 -0.115 1
1 402 . 13 1 1 A 42 42 GLY HA3 H 42 4.097 4.278 -0.181 1
1 403 . 13 1 1 A 42 42 GLY CA C 42 44.650 45.250 -0.600 1
1 404 . 13 1 1 A 43 43 PRO HA H 43 4.432 4.616 -0.184 1
1 411 . 13 1 1 A 43 43 PRO CA C 43 63.073 62.536 0.537 1
1 412 . 13 1 1 A 43 43 PRO CB C 43 32.138 31.244 0.894 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.007 4.110 -0.103 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.007 4.113 -0.106 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.477 173.813 0.664 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.398 45.302 0.096 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.136 8.508 -0.372 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.362 4.422 -0.060 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.239 174.738 0.501 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.653 62.879 -1.226 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.822 70.286 -0.464 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.770 117.709 -4.939 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.425 7.846 0.579 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.967 4.005 -0.038 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.897 4.009 -0.112 1
1 19 . 14 1 1 A 9 9 GLY C C 9 173.998 174.082 -0.084 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.295 44.969 0.326 1
1 21 . 14 1 1 A 9 9 GLY N N 9 110.930 109.740 1.190 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.184 8.638 -0.454 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.190 4.437 -0.247 1
1 28 . 14 1 1 A 10 10 GLU C C 10 175.905 174.923 0.982 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.816 56.189 0.627 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.490 28.793 1.697 1
1 32 . 14 1 1 A 10 10 GLU N N 10 119.839 120.168 -0.329 1
1 33 . 14 1 1 A 11 11 ASN H H 11 8.336 7.625 0.711 1
1 34 . 14 1 1 A 11 11 ASN HA H 11 4.872 5.298 -0.426 1
1 39 . 14 1 1 A 11 11 ASN C C 11 172.608 173.973 -1.365 1
1 40 . 14 1 1 A 11 11 ASN CA C 11 51.221 50.082 1.139 1
1 41 . 14 1 1 A 11 11 ASN CB C 11 39.327 39.575 -0.248 1
1 42 . 14 1 1 A 11 11 ASN N N 11 119.052 118.841 0.211 1
1 44 . 14 1 1 A 12 12 PRO HA H 12 4.264 4.347 -0.083 1
1 51 . 14 1 1 A 12 12 PRO C C 12 176.384 175.679 0.705 1
1 52 . 14 1 1 A 12 12 PRO CA C 12 63.452 63.979 -0.527 1
1 53 . 14 1 1 A 12 12 PRO CB C 12 32.238 31.401 0.837 1
1 56 . 14 1 1 A 13 13 TYR H H 13 7.915 7.055 0.860 1
1 57 . 14 1 1 A 13 13 TYR HA H 13 4.630 5.135 -0.505 1
1 64 . 14 1 1 A 13 13 TYR C C 13 174.410 174.484 -0.074 1
1 65 . 14 1 1 A 13 13 TYR CA C 13 57.169 56.582 0.587 1
1 66 . 14 1 1 A 13 13 TYR CB C 13 38.062 40.006 -1.944 1
1 71 . 14 1 1 A 13 13 TYR N N 13 118.491 118.857 -0.366 1
1 72 . 14 1 1 A 14 14 GLU H H 14 8.391 9.051 -0.660 1
1 73 . 14 1 1 A 14 14 GLU HA H 14 4.767 5.452 -0.685 1
1 78 . 14 1 1 A 14 14 GLU C C 14 174.879 175.561 -0.682 1
1 79 . 14 1 1 A 14 14 GLU CA C 14 55.103 54.844 0.259 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 32.827 32.858 -0.031 1
1 82 . 14 1 1 A 14 14 GLU N N 14 124.387 124.412 -0.025 1
1 83 . 14 1 1 A 15 15 CYS H H 15 9.266 9.160 0.106 1
1 84 . 14 1 1 A 15 15 CYS HA H 15 4.543 4.456 0.087 1
1 87 . 14 1 1 A 15 15 CYS C C 15 177.019 175.924 1.095 1
1 88 . 14 1 1 A 15 15 CYS CA C 15 59.235 58.773 0.462 1
1 89 . 14 1 1 A 15 15 CYS CB C 15 29.540 27.862 1.678 1
1 90 . 14 1 1 A 15 15 CYS N N 15 126.125 122.880 3.245 1
1 91 . 14 1 1 A 16 16 HIS HA H 16 4.581 4.500 0.081 1
1 96 . 14 1 1 A 16 16 HIS C C 16 175.444 176.209 -0.765 1
1 97 . 14 1 1 A 16 16 HIS CA C 16 58.116 58.039 0.077 1
1 98 . 14 1 1 A 16 16 HIS CB C 16 29.448 29.007 0.441 1
1 101 . 14 1 1 A 16 16 HIS N N 16 120.818 125.774 -4.956 1
1 102 . 14 1 1 A 17 17 GLU H H 17 8.532 8.091 0.441 1
1 103 . 14 1 1 A 17 17 GLU HA H 17 4.154 4.108 0.046 1
1 108 . 14 1 1 A 17 17 GLU C C 17 177.167 177.942 -0.775 1
1 109 . 14 1 1 A 17 17 GLU CA C 17 58.373 58.572 -0.199 1
1 110 . 14 1 1 A 17 17 GLU CB C 17 29.496 30.040 -0.544 1
1 112 . 14 1 1 A 17 17 GLU N N 17 120.802 120.270 0.532 1
1 113 . 14 1 1 A 18 18 CYS H H 18 7.828 8.064 -0.236 1
1 114 . 14 1 1 A 18 18 CYS HA H 18 5.133 4.726 0.407 1
1 117 . 14 1 1 A 18 18 CYS C C 18 176.064 175.459 0.605 1
1 118 . 14 1 1 A 18 18 CYS CA C 18 58.259 59.829 -1.570 1
1 119 . 14 1 1 A 18 18 CYS CB C 18 32.515 29.980 2.535 1
1 120 . 14 1 1 A 18 18 CYS N N 18 114.288 115.039 -0.751 1
1 121 . 14 1 1 A 19 19 GLY H H 19 8.215 7.677 0.538 1
1 122 . 14 1 1 A 19 19 GLY HA2 H 19 3.863 4.093 -0.230 1
1 123 . 14 1 1 A 19 19 GLY HA3 H 19 4.207 4.104 0.103 1
1 124 . 14 1 1 A 19 19 GLY C C 19 173.989 174.551 -0.562 1
1 125 . 14 1 1 A 19 19 GLY CA C 19 46.144 45.011 1.133 1
1 126 . 14 1 1 A 19 19 GLY N N 19 113.636 109.777 3.859 1
1 127 . 14 1 1 A 20 20 LYS H H 20 7.895 7.966 -0.071 1
1 128 . 14 1 1 A 20 20 LYS HA H 20 3.938 4.259 -0.321 1
1 137 . 14 1 1 A 20 20 LYS C C 20 173.489 175.329 -1.840 1
1 138 . 14 1 1 A 20 20 LYS CA C 20 57.884 55.818 2.066 1
1 139 . 14 1 1 A 20 20 LYS CB C 20 33.788 33.677 0.111 1
1 143 . 14 1 1 A 20 20 LYS N N 20 122.674 122.125 0.549 1
1 144 . 14 1 1 A 21 21 ALA H H 21 7.745 7.875 -0.130 1
1 145 . 14 1 1 A 21 21 ALA HA H 21 5.041 5.297 -0.256 1
1 149 . 14 1 1 A 21 21 ALA C C 21 176.127 174.982 1.145 1
1 150 . 14 1 1 A 21 21 ALA CA C 21 50.368 50.429 -0.061 1
1 151 . 14 1 1 A 21 21 ALA CB C 21 22.257 22.976 -0.719 1
1 152 . 14 1 1 A 21 21 ALA N N 21 123.181 124.276 -1.095 1
1 153 . 14 1 1 A 22 22 PHE H H 22 8.499 9.175 -0.676 1
1 154 . 14 1 1 A 22 22 PHE HA H 22 4.707 4.948 -0.241 1
1 162 . 14 1 1 A 22 22 PHE C C 22 175.514 175.874 -0.360 1
1 163 . 14 1 1 A 22 22 PHE CA C 22 57.024 56.874 0.150 1
1 164 . 14 1 1 A 22 22 PHE CB C 22 43.573 43.257 0.316 1
1 170 . 14 1 1 A 22 22 PHE N N 22 117.063 117.766 -0.703 1
1 171 . 14 1 1 A 23 23 SER H H 23 8.920 8.859 0.061 1
1 172 . 14 1 1 A 23 23 SER HA H 23 4.679 4.550 0.129 1
1 175 . 14 1 1 A 23 23 SER C C 23 174.739 174.851 -0.112 1
1 176 . 14 1 1 A 23 23 SER CA C 23 60.211 61.335 -1.124 1
1 177 . 14 1 1 A 23 23 SER CB C 23 64.285 63.763 0.522 1
1 178 . 14 1 1 A 23 23 SER N N 23 115.806 115.984 -0.178 1
1 179 . 14 1 1 A 24 24 ARG H H 24 7.566 7.959 -0.393 1
1 180 . 14 1 1 A 24 24 ARG HA H 24 4.797 4.676 0.121 1
1 187 . 14 1 1 A 24 24 ARG C C 24 176.488 176.351 0.137 1
1 188 . 14 1 1 A 24 24 ARG CA C 24 53.323 54.400 -1.077 1
1 189 . 14 1 1 A 24 24 ARG CB C 24 33.751 32.619 1.132 1
1 192 . 14 1 1 A 24 24 ARG N N 24 117.138 119.369 -2.231 1
1 193 . 14 1 1 A 25 25 LYS H H 25 8.511 8.267 0.244 1
1 194 . 14 1 1 A 25 25 LYS HA H 25 2.879 2.837 0.042 1
1 203 . 14 1 1 A 25 25 LYS C C 25 178.784 177.321 1.463 1
1 204 . 14 1 1 A 25 25 LYS CA C 25 59.821 58.812 1.009 1
1 205 . 14 1 1 A 25 25 LYS CB C 25 31.540 31.732 -0.192 1
1 209 . 14 1 1 A 25 25 LYS N N 25 116.581 123.356 -6.775 1
1 210 . 14 1 1 A 26 26 TYR H H 26 8.189 8.220 -0.031 1
1 211 . 14 1 1 A 26 26 TYR HA H 26 4.155 4.073 0.082 1
1 218 . 14 1 1 A 26 26 TYR C C 26 177.714 178.451 -0.737 1
1 219 . 14 1 1 A 26 26 TYR CA C 26 60.191 60.812 -0.621 1
1 220 . 14 1 1 A 26 26 TYR CB C 26 36.264 37.148 -0.884 1
1 225 . 14 1 1 A 26 26 TYR N N 26 114.321 118.476 -4.155 1
1 226 . 14 1 1 A 27 27 GLN H H 27 6.421 7.325 -0.904 1
1 227 . 14 1 1 A 27 27 GLN HA H 27 3.781 3.220 0.561 1
1 234 . 14 1 1 A 27 27 GLN C C 27 178.492 177.115 1.377 1
1 235 . 14 1 1 A 27 27 GLN CA C 27 57.318 57.973 -0.655 1
1 236 . 14 1 1 A 27 27 GLN CB C 27 28.324 28.050 0.274 1
1 238 . 14 1 1 A 27 27 GLN N N 27 119.701 120.595 -0.894 1
1 240 . 14 1 1 A 28 28 LEU H H 28 6.727 7.291 -0.564 1
1 241 . 14 1 1 A 28 28 LEU HA H 28 3.340 1.843 1.497 1
1 251 . 14 1 1 A 28 28 LEU C C 28 177.564 177.861 -0.297 1
1 252 . 14 1 1 A 28 28 LEU CA C 28 57.865 56.380 1.485 1
1 253 . 14 1 1 A 28 28 LEU CB C 28 40.440 41.762 -1.322 1
1 257 . 14 1 1 A 28 28 LEU N N 28 121.434 120.544 0.890 1
1 258 . 14 1 1 A 29 29 ILE H H 29 7.970 7.496 0.474 1
1 259 . 14 1 1 A 29 29 ILE HA H 29 3.741 3.429 0.312 1
1 269 . 14 1 1 A 29 29 ILE C C 29 179.163 177.849 1.314 1
1 270 . 14 1 1 A 29 29 ILE CA C 29 64.518 65.206 -0.688 1
1 271 . 14 1 1 A 29 29 ILE CB C 29 37.255 37.669 -0.414 1
1 275 . 14 1 1 A 29 29 ILE N N 29 119.312 120.411 -1.099 1
1 276 . 14 1 1 A 30 30 SER H H 30 7.665 7.996 -0.331 1
1 277 . 14 1 1 A 30 30 SER HA H 30 4.091 4.064 0.027 1
1 280 . 14 1 1 A 30 30 SER C C 30 177.361 176.928 0.433 1
1 281 . 14 1 1 A 30 30 SER CA C 30 61.460 60.951 0.509 1
1 282 . 14 1 1 A 30 30 SER CB C 30 62.526 63.085 -0.559 1
1 283 . 14 1 1 A 30 30 SER N N 30 113.605 115.355 -1.750 1
1 284 . 14 1 1 A 31 31 HIS H H 31 7.600 7.427 0.173 1
1 285 . 14 1 1 A 31 31 HIS HA H 31 4.237 4.317 -0.080 1
1 290 . 14 1 1 A 31 31 HIS C C 31 177.843 177.244 0.599 1
1 291 . 14 1 1 A 31 31 HIS CA C 31 59.125 59.342 -0.217 1
1 292 . 14 1 1 A 31 31 HIS CB C 31 28.478 29.844 -1.366 1
1 295 . 14 1 1 A 31 31 HIS N N 31 120.473 120.403 0.070 1
1 296 . 14 1 1 A 32 32 GLN H H 32 8.815 8.157 0.658 1
1 297 . 14 1 1 A 32 32 GLN HA H 32 3.691 3.943 -0.252 1
1 304 . 14 1 1 A 32 32 GLN C C 32 178.072 178.624 -0.552 1
1 305 . 14 1 1 A 32 32 GLN CA C 32 59.764 59.058 0.706 1
1 306 . 14 1 1 A 32 32 GLN CB C 32 27.967 28.330 -0.363 1
1 308 . 14 1 1 A 32 32 GLN N N 32 120.188 117.466 2.722 1
1 310 . 14 1 1 A 33 33 ARG H H 33 7.307 7.703 -0.396 1
1 311 . 14 1 1 A 33 33 ARG HA H 33 4.124 4.033 0.091 1
1 318 . 14 1 1 A 33 33 ARG C C 33 178.441 178.871 -0.430 1
1 319 . 14 1 1 A 33 33 ARG CA C 33 58.665 59.250 -0.585 1
1 320 . 14 1 1 A 33 33 ARG CB C 33 29.859 29.909 -0.050 1
1 323 . 14 1 1 A 33 33 ARG N N 33 118.223 120.350 -2.127 1
1 324 . 14 1 1 A 34 34 THR H H 34 7.731 8.211 -0.480 1
1 325 . 14 1 1 A 34 34 THR HA H 34 4.123 3.910 0.213 1
1 330 . 14 1 1 A 34 34 THR C C 34 175.609 177.104 -1.495 1
1 331 . 14 1 1 A 34 34 THR CA C 34 63.859 65.548 -1.689 1
1 332 . 14 1 1 A 34 34 THR CB C 34 69.118 67.780 1.338 1
1 334 . 14 1 1 A 34 34 THR N N 34 109.975 113.147 -3.172 1
1 335 . 14 1 1 A 35 35 HIS H H 35 7.062 7.609 -0.547 1
1 336 . 14 1 1 A 35 35 HIS HA H 35 4.799 4.320 0.479 1
1 341 . 14 1 1 A 35 35 HIS C C 35 175.092 176.244 -1.152 1
1 342 . 14 1 1 A 35 35 HIS CA C 35 55.122 59.468 -4.346 1
1 343 . 14 1 1 A 35 35 HIS CB C 35 28.756 30.039 -1.283 1
1 346 . 14 1 1 A 35 35 HIS N N 35 118.423 119.265 -0.842 1
1 347 . 14 1 1 A 36 36 ALA H H 36 7.630 7.500 0.130 1
1 348 . 14 1 1 A 36 36 ALA HA H 36 4.347 4.142 0.205 1
1 352 . 14 1 1 A 36 36 ALA C C 36 178.040 178.060 -0.020 1
1 353 . 14 1 1 A 36 36 ALA CA C 36 53.136 52.941 0.195 1
1 354 . 14 1 1 A 36 36 ALA CB C 36 19.243 19.478 -0.235 1
1 355 . 14 1 1 A 36 36 ALA N N 36 123.035 121.792 1.243 1
1 356 . 14 1 1 A 37 37 GLY H H 37 8.237 8.550 -0.313 1
1 357 . 14 1 1 A 37 37 GLY HA2 H 37 3.966 4.020 -0.054 1
1 358 . 14 1 1 A 37 37 GLY HA3 H 37 3.966 4.024 -0.058 1
1 359 . 14 1 1 A 37 37 GLY C C 37 174.074 173.200 0.874 1
1 360 . 14 1 1 A 37 37 GLY CA C 37 45.231 45.750 -0.519 1
1 361 . 14 1 1 A 37 37 GLY N N 37 107.712 107.921 -0.209 1
1 362 . 14 1 1 A 38 38 GLU H H 38 8.092 8.601 -0.509 1
1 363 . 14 1 1 A 38 38 GLU HA H 38 4.283 4.911 -0.628 1
1 368 . 14 1 1 A 38 38 GLU C C 38 176.336 175.169 1.167 1
1 369 . 14 1 1 A 38 38 GLU CA C 38 56.392 55.008 1.384 1
1 370 . 14 1 1 A 38 38 GLU CB C 38 30.516 32.395 -1.879 1
1 372 . 14 1 1 A 38 38 GLU N N 38 120.352 123.419 -3.067 1
1 373 . 14 1 1 A 39 39 LYS H H 39 8.396 8.671 -0.275 1
1 374 . 14 1 1 A 39 39 LYS HA H 39 4.623 4.829 -0.206 1
1 383 . 14 1 1 A 39 39 LYS C C 39 174.472 176.239 -1.767 1
1 384 . 14 1 1 A 39 39 LYS CA C 39 54.053 52.876 1.177 1
1 385 . 14 1 1 A 39 39 LYS CB C 39 32.429 34.060 -1.631 1
1 389 . 14 1 1 A 39 39 LYS N N 39 123.622 125.216 -1.594 1
1 390 . 14 1 1 A 40 40 PRO HA H 40 4.467 4.518 -0.051 1
1 397 . 14 1 1 A 40 40 PRO CA C 40 63.263 63.776 -0.513 1
1 398 . 14 1 1 A 40 40 PRO CB C 40 32.140 31.761 0.379 1
1 401 . 14 1 1 A 42 42 GLY HA2 H 42 4.163 4.209 -0.046 1
1 402 . 14 1 1 A 42 42 GLY HA3 H 42 4.097 4.210 -0.113 1
1 403 . 14 1 1 A 42 42 GLY CA C 42 44.650 44.713 -0.063 1
1 404 . 14 1 1 A 43 43 PRO HA H 43 4.432 4.439 -0.007 1
1 411 . 14 1 1 A 43 43 PRO CA C 43 63.073 63.926 -0.853 1
1 412 . 14 1 1 A 43 43 PRO CB C 43 32.138 31.863 0.275 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.007 4.074 -0.067 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.007 4.075 -0.068 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.477 174.933 -0.456 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.398 45.320 0.078 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.136 8.202 -0.066 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.362 4.017 0.345 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.239 174.692 0.547 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.653 64.672 -3.019 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.822 69.636 0.186 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.770 116.678 -3.908 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.425 7.704 0.721 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.967 4.077 -0.110 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.897 4.077 -0.180 1
1 19 . 15 1 1 A 9 9 GLY C C 9 173.998 175.076 -1.078 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.295 45.392 -0.097 1
1 21 . 15 1 1 A 9 9 GLY N N 9 110.930 108.710 2.220 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.184 8.176 0.008 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.190 4.154 0.036 1
1 28 . 15 1 1 A 10 10 GLU C C 10 175.905 176.530 -0.625 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.816 58.075 -1.259 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.490 30.393 0.097 1
1 32 . 15 1 1 A 10 10 GLU N N 10 119.839 119.289 0.550 1
1 33 . 15 1 1 A 11 11 ASN H H 11 8.336 7.666 0.670 1
1 34 . 15 1 1 A 11 11 ASN HA H 11 4.872 5.056 -0.184 1
1 39 . 15 1 1 A 11 11 ASN C C 11 172.608 174.475 -1.867 1
1 40 . 15 1 1 A 11 11 ASN CA C 11 51.221 49.590 1.631 1
1 41 . 15 1 1 A 11 11 ASN CB C 11 39.327 39.949 -0.622 1
1 42 . 15 1 1 A 11 11 ASN N N 11 119.052 119.571 -0.519 1
1 44 . 15 1 1 A 12 12 PRO HA H 12 4.264 4.390 -0.126 1
1 51 . 15 1 1 A 12 12 PRO C C 12 176.384 175.635 0.749 1
1 52 . 15 1 1 A 12 12 PRO CA C 12 63.452 64.088 -0.636 1
1 53 . 15 1 1 A 12 12 PRO CB C 12 32.238 31.302 0.936 1
1 56 . 15 1 1 A 13 13 TYR H H 13 7.915 7.032 0.883 1
1 57 . 15 1 1 A 13 13 TYR HA H 13 4.630 5.128 -0.498 1
1 64 . 15 1 1 A 13 13 TYR C C 13 174.410 174.849 -0.439 1
1 65 . 15 1 1 A 13 13 TYR CA C 13 57.169 56.770 0.399 1
1 66 . 15 1 1 A 13 13 TYR CB C 13 38.062 40.109 -2.047 1
1 71 . 15 1 1 A 13 13 TYR N N 13 118.491 118.898 -0.407 1
1 72 . 15 1 1 A 14 14 GLU H H 14 8.391 8.944 -0.553 1
1 73 . 15 1 1 A 14 14 GLU HA H 14 4.767 5.540 -0.773 1
1 78 . 15 1 1 A 14 14 GLU C C 14 174.879 175.498 -0.619 1
1 79 . 15 1 1 A 14 14 GLU CA C 14 55.103 54.419 0.684 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 32.827 33.140 -0.313 1
1 82 . 15 1 1 A 14 14 GLU N N 14 124.387 123.459 0.928 1
1 83 . 15 1 1 A 15 15 CYS H H 15 9.266 9.239 0.027 1
1 84 . 15 1 1 A 15 15 CYS HA H 15 4.543 4.530 0.013 1
1 87 . 15 1 1 A 15 15 CYS C C 15 177.019 176.613 0.406 1
1 88 . 15 1 1 A 15 15 CYS CA C 15 59.235 59.343 -0.108 1
1 89 . 15 1 1 A 15 15 CYS CB C 15 29.540 28.257 1.283 1
1 90 . 15 1 1 A 15 15 CYS N N 15 126.125 123.583 2.542 1
1 91 . 15 1 1 A 16 16 HIS HA H 16 4.581 4.506 0.075 1
1 96 . 15 1 1 A 16 16 HIS C C 16 175.444 176.368 -0.924 1
1 97 . 15 1 1 A 16 16 HIS CA C 16 58.116 57.660 0.456 1
1 98 . 15 1 1 A 16 16 HIS CB C 16 29.448 29.046 0.402 1
1 101 . 15 1 1 A 16 16 HIS N N 16 120.818 125.701 -4.883 1
1 102 . 15 1 1 A 17 17 GLU H H 17 8.532 7.950 0.582 1
1 103 . 15 1 1 A 17 17 GLU HA H 17 4.154 4.080 0.074 1
1 108 . 15 1 1 A 17 17 GLU C C 17 177.167 177.963 -0.796 1
1 109 . 15 1 1 A 17 17 GLU CA C 17 58.373 58.478 -0.105 1
1 110 . 15 1 1 A 17 17 GLU CB C 17 29.496 30.061 -0.565 1
1 112 . 15 1 1 A 17 17 GLU N N 17 120.802 120.261 0.541 1
1 113 . 15 1 1 A 18 18 CYS H H 18 7.828 8.124 -0.296 1
1 114 . 15 1 1 A 18 18 CYS HA H 18 5.133 4.720 0.413 1
1 117 . 15 1 1 A 18 18 CYS C C 18 176.064 175.434 0.630 1
1 118 . 15 1 1 A 18 18 CYS CA C 18 58.259 59.768 -1.509 1
1 119 . 15 1 1 A 18 18 CYS CB C 18 32.515 29.944 2.571 1
1 120 . 15 1 1 A 18 18 CYS N N 18 114.288 115.086 -0.798 1
1 121 . 15 1 1 A 19 19 GLY H H 19 8.215 7.987 0.228 1
1 122 . 15 1 1 A 19 19 GLY HA2 H 19 3.863 4.097 -0.234 1
1 123 . 15 1 1 A 19 19 GLY HA3 H 19 4.207 4.110 0.097 1
1 124 . 15 1 1 A 19 19 GLY C C 19 173.989 174.627 -0.638 1
1 125 . 15 1 1 A 19 19 GLY CA C 19 46.144 44.944 1.200 1
1 126 . 15 1 1 A 19 19 GLY N N 19 113.636 109.829 3.807 1
1 127 . 15 1 1 A 20 20 LYS H H 20 7.895 7.508 0.387 1
1 128 . 15 1 1 A 20 20 LYS HA H 20 3.938 4.186 -0.248 1
1 137 . 15 1 1 A 20 20 LYS C C 20 173.489 175.244 -1.755 1
1 138 . 15 1 1 A 20 20 LYS CA C 20 57.884 56.263 1.621 1
1 139 . 15 1 1 A 20 20 LYS CB C 20 33.788 33.501 0.287 1
1 143 . 15 1 1 A 20 20 LYS N N 20 122.674 122.336 0.338 1
1 144 . 15 1 1 A 21 21 ALA H H 21 7.745 8.014 -0.269 1
1 145 . 15 1 1 A 21 21 ALA HA H 21 5.041 5.482 -0.441 1
1 149 . 15 1 1 A 21 21 ALA C C 21 176.127 174.981 1.146 1
1 150 . 15 1 1 A 21 21 ALA CA C 21 50.368 50.423 -0.055 1
1 151 . 15 1 1 A 21 21 ALA CB C 21 22.257 23.445 -1.188 1
1 152 . 15 1 1 A 21 21 ALA N N 21 123.181 124.427 -1.246 1
1 153 . 15 1 1 A 22 22 PHE H H 22 8.499 9.319 -0.820 1
1 154 . 15 1 1 A 22 22 PHE HA H 22 4.707 4.949 -0.242 1
1 162 . 15 1 1 A 22 22 PHE C C 22 175.514 175.762 -0.248 1
1 163 . 15 1 1 A 22 22 PHE CA C 22 57.024 56.882 0.142 1
1 164 . 15 1 1 A 22 22 PHE CB C 22 43.573 43.288 0.285 1
1 170 . 15 1 1 A 22 22 PHE N N 22 117.063 117.450 -0.387 1
1 171 . 15 1 1 A 23 23 SER H H 23 8.920 8.361 0.559 1
1 172 . 15 1 1 A 23 23 SER HA H 23 4.679 4.862 -0.183 1
1 175 . 15 1 1 A 23 23 SER C C 23 174.739 175.010 -0.271 1
1 176 . 15 1 1 A 23 23 SER CA C 23 60.211 61.296 -1.085 1
1 177 . 15 1 1 A 23 23 SER CB C 23 64.285 63.957 0.328 1
1 178 . 15 1 1 A 23 23 SER N N 23 115.806 115.999 -0.193 1
1 179 . 15 1 1 A 24 24 ARG H H 24 7.566 7.914 -0.348 1
1 180 . 15 1 1 A 24 24 ARG HA H 24 4.797 4.535 0.262 1
1 187 . 15 1 1 A 24 24 ARG C C 24 176.488 176.459 0.029 1
1 188 . 15 1 1 A 24 24 ARG CA C 24 53.323 54.154 -0.831 1
1 189 . 15 1 1 A 24 24 ARG CB C 24 33.751 32.029 1.722 1
1 192 . 15 1 1 A 24 24 ARG N N 24 117.138 119.283 -2.145 1
1 193 . 15 1 1 A 25 25 LYS H H 25 8.511 8.397 0.114 1
1 194 . 15 1 1 A 25 25 LYS HA H 25 2.879 2.958 -0.079 1
1 203 . 15 1 1 A 25 25 LYS C C 25 178.784 177.384 1.400 1
1 204 . 15 1 1 A 25 25 LYS CA C 25 59.821 58.629 1.192 1
1 205 . 15 1 1 A 25 25 LYS CB C 25 31.540 31.913 -0.373 1
1 209 . 15 1 1 A 25 25 LYS N N 25 116.581 123.338 -6.757 1
1 210 . 15 1 1 A 26 26 TYR H H 26 8.189 7.920 0.269 1
1 211 . 15 1 1 A 26 26 TYR HA H 26 4.155 4.091 0.064 1
1 218 . 15 1 1 A 26 26 TYR C C 26 177.714 178.327 -0.613 1
1 219 . 15 1 1 A 26 26 TYR CA C 26 60.191 60.702 -0.511 1
1 220 . 15 1 1 A 26 26 TYR CB C 26 36.264 37.245 -0.981 1
1 225 . 15 1 1 A 26 26 TYR N N 26 114.321 118.509 -4.188 1
1 226 . 15 1 1 A 27 27 GLN H H 27 6.421 7.375 -0.954 1
1 227 . 15 1 1 A 27 27 GLN HA H 27 3.781 3.208 0.573 1
1 234 . 15 1 1 A 27 27 GLN C C 27 178.492 177.147 1.345 1
1 235 . 15 1 1 A 27 27 GLN CA C 27 57.318 58.043 -0.725 1
1 236 . 15 1 1 A 27 27 GLN CB C 27 28.324 28.064 0.260 1
1 238 . 15 1 1 A 27 27 GLN N N 27 119.701 120.757 -1.056 1
1 240 . 15 1 1 A 28 28 LEU H H 28 6.727 7.198 -0.471 1
1 241 . 15 1 1 A 28 28 LEU HA H 28 3.340 1.792 1.548 1
1 251 . 15 1 1 A 28 28 LEU C C 28 177.564 178.011 -0.447 1
1 252 . 15 1 1 A 28 28 LEU CA C 28 57.865 56.273 1.592 1
1 253 . 15 1 1 A 28 28 LEU CB C 28 40.440 41.914 -1.474 1
1 257 . 15 1 1 A 28 28 LEU N N 28 121.434 120.452 0.982 1
1 258 . 15 1 1 A 29 29 ILE H H 29 7.970 7.500 0.470 1
1 259 . 15 1 1 A 29 29 ILE HA H 29 3.741 3.438 0.303 1
1 269 . 15 1 1 A 29 29 ILE C C 29 179.163 177.765 1.398 1
1 270 . 15 1 1 A 29 29 ILE CA C 29 64.518 65.252 -0.734 1
1 271 . 15 1 1 A 29 29 ILE CB C 29 37.255 37.496 -0.241 1
1 275 . 15 1 1 A 29 29 ILE N N 29 119.312 120.342 -1.030 1
1 276 . 15 1 1 A 30 30 SER H H 30 7.665 7.992 -0.327 1
1 277 . 15 1 1 A 30 30 SER HA H 30 4.091 4.087 0.004 1
1 280 . 15 1 1 A 30 30 SER C C 30 177.361 176.823 0.538 1
1 281 . 15 1 1 A 30 30 SER CA C 30 61.460 60.748 0.712 1
1 282 . 15 1 1 A 30 30 SER CB C 30 62.526 63.098 -0.572 1
1 283 . 15 1 1 A 30 30 SER N N 30 113.605 115.120 -1.515 1
1 284 . 15 1 1 A 31 31 HIS H H 31 7.600 7.465 0.135 1
1 285 . 15 1 1 A 31 31 HIS HA H 31 4.237 4.290 -0.053 1
1 290 . 15 1 1 A 31 31 HIS C C 31 177.843 177.408 0.435 1
1 291 . 15 1 1 A 31 31 HIS CA C 31 59.125 59.294 -0.169 1
1 292 . 15 1 1 A 31 31 HIS CB C 31 28.478 29.854 -1.376 1
1 295 . 15 1 1 A 31 31 HIS N N 31 120.473 120.659 -0.186 1
1 296 . 15 1 1 A 32 32 GLN H H 32 8.815 8.135 0.680 1
1 297 . 15 1 1 A 32 32 GLN HA H 32 3.691 3.913 -0.222 1
1 304 . 15 1 1 A 32 32 GLN C C 32 178.072 178.600 -0.528 1
1 305 . 15 1 1 A 32 32 GLN CA C 32 59.764 59.047 0.717 1
1 306 . 15 1 1 A 32 32 GLN CB C 32 27.967 28.313 -0.346 1
1 308 . 15 1 1 A 32 32 GLN N N 32 120.188 117.690 2.498 1
1 310 . 15 1 1 A 33 33 ARG H H 33 7.307 7.744 -0.437 1
1 311 . 15 1 1 A 33 33 ARG HA H 33 4.124 4.087 0.037 1
1 318 . 15 1 1 A 33 33 ARG C C 33 178.441 178.881 -0.440 1
1 319 . 15 1 1 A 33 33 ARG CA C 33 58.665 59.296 -0.631 1
1 320 . 15 1 1 A 33 33 ARG CB C 33 29.859 29.948 -0.089 1
1 323 . 15 1 1 A 33 33 ARG N N 33 118.223 120.529 -2.306 1
1 324 . 15 1 1 A 34 34 THR H H 34 7.731 8.092 -0.361 1
1 325 . 15 1 1 A 34 34 THR HA H 34 4.123 3.956 0.167 1
1 330 . 15 1 1 A 34 34 THR C C 34 175.609 177.101 -1.492 1
1 331 . 15 1 1 A 34 34 THR CA C 34 63.859 65.455 -1.596 1
1 332 . 15 1 1 A 34 34 THR CB C 34 69.118 67.915 1.203 1
1 334 . 15 1 1 A 34 34 THR N N 34 109.975 113.081 -3.106 1
1 335 . 15 1 1 A 35 35 HIS H H 35 7.062 7.571 -0.509 1
1 336 . 15 1 1 A 35 35 HIS HA H 35 4.799 4.278 0.521 1
1 341 . 15 1 1 A 35 35 HIS C C 35 175.092 176.045 -0.953 1
1 342 . 15 1 1 A 35 35 HIS CA C 35 55.122 59.339 -4.217 1
1 343 . 15 1 1 A 35 35 HIS CB C 35 28.756 30.301 -1.545 1
1 346 . 15 1 1 A 35 35 HIS N N 35 118.423 119.228 -0.805 1
1 347 . 15 1 1 A 36 36 ALA H H 36 7.630 7.452 0.178 1
1 348 . 15 1 1 A 36 36 ALA HA H 36 4.347 3.921 0.426 1
1 352 . 15 1 1 A 36 36 ALA C C 36 178.040 178.403 -0.363 1
1 353 . 15 1 1 A 36 36 ALA CA C 36 53.136 53.947 -0.811 1
1 354 . 15 1 1 A 36 36 ALA CB C 36 19.243 18.433 0.810 1
1 355 . 15 1 1 A 36 36 ALA N N 36 123.035 120.572 2.463 1
1 356 . 15 1 1 A 37 37 GLY H H 37 8.237 8.733 -0.496 1
1 357 . 15 1 1 A 37 37 GLY HA2 H 37 3.966 3.983 -0.017 1
1 358 . 15 1 1 A 37 37 GLY HA3 H 37 3.966 3.986 -0.020 1
1 359 . 15 1 1 A 37 37 GLY C C 37 174.074 174.788 -0.714 1
1 360 . 15 1 1 A 37 37 GLY CA C 37 45.231 45.444 -0.213 1
1 361 . 15 1 1 A 37 37 GLY N N 37 107.712 111.214 -3.502 1
1 362 . 15 1 1 A 38 38 GLU H H 38 8.092 7.962 0.130 1
1 363 . 15 1 1 A 38 38 GLU HA H 38 4.283 4.518 -0.235 1
1 368 . 15 1 1 A 38 38 GLU C C 38 176.336 175.675 0.661 1
1 369 . 15 1 1 A 38 38 GLU CA C 38 56.392 55.234 1.158 1
1 370 . 15 1 1 A 38 38 GLU CB C 38 30.516 28.169 2.347 1
1 372 . 15 1 1 A 38 38 GLU N N 38 120.352 121.065 -0.713 1
1 373 . 15 1 1 A 39 39 LYS H H 39 8.396 7.950 0.446 1
1 374 . 15 1 1 A 39 39 LYS HA H 39 4.623 4.304 0.319 1
1 383 . 15 1 1 A 39 39 LYS C C 39 174.472 174.775 -0.303 1
1 384 . 15 1 1 A 39 39 LYS CA C 39 54.053 55.344 -1.291 1
1 385 . 15 1 1 A 39 39 LYS CB C 39 32.429 31.661 0.768 1
1 389 . 15 1 1 A 39 39 LYS N N 39 123.622 124.366 -0.744 1
1 390 . 15 1 1 A 40 40 PRO HA H 40 4.467 4.502 -0.035 1
1 397 . 15 1 1 A 40 40 PRO CA C 40 63.263 62.854 0.409 1
1 398 . 15 1 1 A 40 40 PRO CB C 40 32.140 31.822 0.318 1
1 401 . 15 1 1 A 42 42 GLY HA2 H 42 4.163 4.195 -0.032 1
1 402 . 15 1 1 A 42 42 GLY HA3 H 42 4.097 4.196 -0.099 1
1 403 . 15 1 1 A 42 42 GLY CA C 42 44.650 44.618 0.032 1
1 404 . 15 1 1 A 43 43 PRO HA H 43 4.432 4.695 -0.263 1
1 411 . 15 1 1 A 43 43 PRO CA C 43 63.073 62.770 0.303 1
1 412 . 15 1 1 A 43 43 PRO CB C 43 32.138 31.758 0.380 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.007 4.131 -0.124 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.007 4.131 -0.124 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.477 174.438 0.039 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.398 44.752 0.646 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.136 8.484 -0.348 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.362 4.168 0.194 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.239 175.020 0.219 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.653 63.472 -1.819 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.822 69.291 0.531 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.770 115.542 -2.772 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.425 8.070 0.355 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.967 3.879 0.088 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.897 3.880 0.017 1
1 19 . 16 1 1 A 9 9 GLY C C 9 173.998 175.031 -1.033 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.295 46.975 -1.680 1
1 21 . 16 1 1 A 9 9 GLY N N 9 110.930 110.479 0.451 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.184 8.086 0.098 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.190 3.999 0.191 1
1 28 . 16 1 1 A 10 10 GLU C C 10 175.905 177.340 -1.435 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.816 58.777 -1.961 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.490 29.968 0.522 1
1 32 . 16 1 1 A 10 10 GLU N N 10 119.839 123.478 -3.639 1
1 33 . 16 1 1 A 11 11 ASN H H 11 8.336 7.872 0.464 1
1 34 . 16 1 1 A 11 11 ASN HA H 11 4.872 4.838 0.034 1
1 39 . 16 1 1 A 11 11 ASN C C 11 172.608 175.329 -2.721 1
1 40 . 16 1 1 A 11 11 ASN CA C 11 51.221 51.921 -0.700 1
1 41 . 16 1 1 A 11 11 ASN CB C 11 39.327 38.744 0.583 1
1 42 . 16 1 1 A 11 11 ASN N N 11 119.052 117.018 2.034 1
1 44 . 16 1 1 A 12 12 PRO HA H 12 4.264 4.367 -0.103 1
1 51 . 16 1 1 A 12 12 PRO C C 12 176.384 175.602 0.782 1
1 52 . 16 1 1 A 12 12 PRO CA C 12 63.452 64.188 -0.736 1
1 53 . 16 1 1 A 12 12 PRO CB C 12 32.238 31.304 0.934 1
1 56 . 16 1 1 A 13 13 TYR H H 13 7.915 7.021 0.894 1
1 57 . 16 1 1 A 13 13 TYR HA H 13 4.630 5.204 -0.574 1
1 64 . 16 1 1 A 13 13 TYR C C 13 174.410 174.680 -0.270 1
1 65 . 16 1 1 A 13 13 TYR CA C 13 57.169 56.630 0.539 1
1 66 . 16 1 1 A 13 13 TYR CB C 13 38.062 40.097 -2.035 1
1 71 . 16 1 1 A 13 13 TYR N N 13 118.491 119.102 -0.611 1
1 72 . 16 1 1 A 14 14 GLU H H 14 8.391 8.999 -0.608 1
1 73 . 16 1 1 A 14 14 GLU HA H 14 4.767 5.367 -0.600 1
1 78 . 16 1 1 A 14 14 GLU C C 14 174.879 175.703 -0.824 1
1 79 . 16 1 1 A 14 14 GLU CA C 14 55.103 54.499 0.604 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 32.827 33.116 -0.289 1
1 82 . 16 1 1 A 14 14 GLU N N 14 124.387 124.078 0.309 1
1 83 . 16 1 1 A 15 15 CYS H H 15 9.266 9.168 0.098 1
1 84 . 16 1 1 A 15 15 CYS HA H 15 4.543 4.455 0.088 1
1 87 . 16 1 1 A 15 15 CYS C C 15 177.019 176.797 0.222 1
1 88 . 16 1 1 A 15 15 CYS CA C 15 59.235 59.708 -0.473 1
1 89 . 16 1 1 A 15 15 CYS CB C 15 29.540 28.424 1.116 1
1 90 . 16 1 1 A 15 15 CYS N N 15 126.125 124.033 2.092 1
1 91 . 16 1 1 A 16 16 HIS HA H 16 4.581 4.615 -0.034 1
1 96 . 16 1 1 A 16 16 HIS C C 16 175.444 174.723 0.721 1
1 97 . 16 1 1 A 16 16 HIS CA C 16 58.116 56.813 1.303 1
1 98 . 16 1 1 A 16 16 HIS CB C 16 29.448 29.845 -0.397 1
1 101 . 16 1 1 A 16 16 HIS N N 16 120.818 125.081 -4.263 1
1 102 . 16 1 1 A 17 17 GLU H H 17 8.532 7.830 0.702 1
1 103 . 16 1 1 A 17 17 GLU HA H 17 4.154 4.398 -0.244 1
1 108 . 16 1 1 A 17 17 GLU C C 17 177.167 177.787 -0.620 1
1 109 . 16 1 1 A 17 17 GLU CA C 17 58.373 57.086 1.287 1
1 110 . 16 1 1 A 17 17 GLU CB C 17 29.496 31.193 -1.697 1
1 112 . 16 1 1 A 17 17 GLU N N 17 120.802 117.479 3.323 1
1 113 . 16 1 1 A 18 18 CYS H H 18 7.828 8.147 -0.319 1
1 114 . 16 1 1 A 18 18 CYS HA H 18 5.133 4.695 0.438 1
1 117 . 16 1 1 A 18 18 CYS C C 18 176.064 175.450 0.614 1
1 118 . 16 1 1 A 18 18 CYS CA C 18 58.259 59.674 -1.415 1
1 119 . 16 1 1 A 18 18 CYS CB C 18 32.515 30.075 2.440 1
1 120 . 16 1 1 A 18 18 CYS N N 18 114.288 114.604 -0.316 1
1 121 . 16 1 1 A 19 19 GLY H H 19 8.215 8.038 0.177 1
1 122 . 16 1 1 A 19 19 GLY HA2 H 19 3.863 4.073 -0.210 1
1 123 . 16 1 1 A 19 19 GLY HA3 H 19 4.207 4.082 0.125 1
1 124 . 16 1 1 A 19 19 GLY C C 19 173.989 174.595 -0.606 1
1 125 . 16 1 1 A 19 19 GLY CA C 19 46.144 45.074 1.070 1
1 126 . 16 1 1 A 19 19 GLY N N 19 113.636 110.069 3.567 1
1 127 . 16 1 1 A 20 20 LYS H H 20 7.895 7.488 0.407 1
1 128 . 16 1 1 A 20 20 LYS HA H 20 3.938 4.260 -0.322 1
1 137 . 16 1 1 A 20 20 LYS C C 20 173.489 175.408 -1.919 1
1 138 . 16 1 1 A 20 20 LYS CA C 20 57.884 55.901 1.983 1
1 139 . 16 1 1 A 20 20 LYS CB C 20 33.788 33.614 0.174 1
1 143 . 16 1 1 A 20 20 LYS N N 20 122.674 122.021 0.653 1
1 144 . 16 1 1 A 21 21 ALA H H 21 7.745 7.939 -0.194 1
1 145 . 16 1 1 A 21 21 ALA HA H 21 5.041 5.367 -0.326 1
1 149 . 16 1 1 A 21 21 ALA C C 21 176.127 174.983 1.144 1
1 150 . 16 1 1 A 21 21 ALA CA C 21 50.368 50.439 -0.071 1
1 151 . 16 1 1 A 21 21 ALA CB C 21 22.257 22.965 -0.708 1
1 152 . 16 1 1 A 21 21 ALA N N 21 123.181 124.041 -0.860 1
1 153 . 16 1 1 A 22 22 PHE H H 22 8.499 9.290 -0.791 1
1 154 . 16 1 1 A 22 22 PHE HA H 22 4.707 4.952 -0.245 1
1 162 . 16 1 1 A 22 22 PHE C C 22 175.514 175.786 -0.272 1
1 163 . 16 1 1 A 22 22 PHE CA C 22 57.024 56.873 0.151 1
1 164 . 16 1 1 A 22 22 PHE CB C 22 43.573 43.343 0.230 1
1 170 . 16 1 1 A 22 22 PHE N N 22 117.063 117.620 -0.557 1
1 171 . 16 1 1 A 23 23 SER H H 23 8.920 8.866 0.054 1
1 172 . 16 1 1 A 23 23 SER HA H 23 4.679 4.596 0.083 1
1 175 . 16 1 1 A 23 23 SER C C 23 174.739 174.948 -0.209 1
1 176 . 16 1 1 A 23 23 SER CA C 23 60.211 61.429 -1.218 1
1 177 . 16 1 1 A 23 23 SER CB C 23 64.285 63.926 0.359 1
1 178 . 16 1 1 A 23 23 SER N N 23 115.806 116.039 -0.233 1
1 179 . 16 1 1 A 24 24 ARG H H 24 7.566 7.947 -0.381 1
1 180 . 16 1 1 A 24 24 ARG HA H 24 4.797 4.643 0.154 1
1 187 . 16 1 1 A 24 24 ARG C C 24 176.488 176.554 -0.066 1
1 188 . 16 1 1 A 24 24 ARG CA C 24 53.323 54.226 -0.903 1
1 189 . 16 1 1 A 24 24 ARG CB C 24 33.751 31.970 1.781 1
1 192 . 16 1 1 A 24 24 ARG N N 24 117.138 119.325 -2.187 1
1 193 . 16 1 1 A 25 25 LYS H H 25 8.511 8.455 0.056 1
1 194 . 16 1 1 A 25 25 LYS HA H 25 2.879 2.841 0.038 1
1 203 . 16 1 1 A 25 25 LYS C C 25 178.784 177.370 1.414 1
1 204 . 16 1 1 A 25 25 LYS CA C 25 59.821 58.491 1.330 1
1 205 . 16 1 1 A 25 25 LYS CB C 25 31.540 31.737 -0.197 1
1 209 . 16 1 1 A 25 25 LYS N N 25 116.581 123.236 -6.655 1
1 210 . 16 1 1 A 26 26 TYR H H 26 8.189 8.104 0.085 1
1 211 . 16 1 1 A 26 26 TYR HA H 26 4.155 4.079 0.076 1
1 218 . 16 1 1 A 26 26 TYR C C 26 177.714 178.319 -0.605 1
1 219 . 16 1 1 A 26 26 TYR CA C 26 60.191 60.713 -0.522 1
1 220 . 16 1 1 A 26 26 TYR CB C 26 36.264 37.172 -0.908 1
1 225 . 16 1 1 A 26 26 TYR N N 26 114.321 118.526 -4.205 1
1 226 . 16 1 1 A 27 27 GLN H H 27 6.421 7.374 -0.953 1
1 227 . 16 1 1 A 27 27 GLN HA H 27 3.781 3.214 0.567 1
1 234 . 16 1 1 A 27 27 GLN C C 27 178.492 177.107 1.385 1
1 235 . 16 1 1 A 27 27 GLN CA C 27 57.318 58.032 -0.714 1
1 236 . 16 1 1 A 27 27 GLN CB C 27 28.324 28.052 0.272 1
1 238 . 16 1 1 A 27 27 GLN N N 27 119.701 120.815 -1.114 1
1 240 . 16 1 1 A 28 28 LEU H H 28 6.727 7.113 -0.386 1
1 241 . 16 1 1 A 28 28 LEU HA H 28 3.340 1.826 1.514 1
1 251 . 16 1 1 A 28 28 LEU C C 28 177.564 178.097 -0.533 1
1 252 . 16 1 1 A 28 28 LEU CA C 28 57.865 56.320 1.545 1
1 253 . 16 1 1 A 28 28 LEU CB C 28 40.440 41.923 -1.483 1
1 257 . 16 1 1 A 28 28 LEU N N 28 121.434 120.538 0.896 1
1 258 . 16 1 1 A 29 29 ILE H H 29 7.970 7.489 0.481 1
1 259 . 16 1 1 A 29 29 ILE HA H 29 3.741 3.428 0.313 1
1 269 . 16 1 1 A 29 29 ILE C C 29 179.163 177.829 1.334 1
1 270 . 16 1 1 A 29 29 ILE CA C 29 64.518 65.305 -0.787 1
1 271 . 16 1 1 A 29 29 ILE CB C 29 37.255 37.529 -0.274 1
1 275 . 16 1 1 A 29 29 ILE N N 29 119.312 120.381 -1.069 1
1 276 . 16 1 1 A 30 30 SER H H 30 7.665 7.942 -0.277 1
1 277 . 16 1 1 A 30 30 SER HA H 30 4.091 4.076 0.015 1
1 280 . 16 1 1 A 30 30 SER C C 30 177.361 176.883 0.478 1
1 281 . 16 1 1 A 30 30 SER CA C 30 61.460 60.810 0.650 1
1 282 . 16 1 1 A 30 30 SER CB C 30 62.526 63.084 -0.558 1
1 283 . 16 1 1 A 30 30 SER N N 30 113.605 115.130 -1.525 1
1 284 . 16 1 1 A 31 31 HIS H H 31 7.600 7.472 0.128 1
1 285 . 16 1 1 A 31 31 HIS HA H 31 4.237 4.298 -0.061 1
1 290 . 16 1 1 A 31 31 HIS C C 31 177.843 177.488 0.355 1
1 291 . 16 1 1 A 31 31 HIS CA C 31 59.125 59.469 -0.344 1
1 292 . 16 1 1 A 31 31 HIS CB C 31 28.478 29.910 -1.432 1
1 295 . 16 1 1 A 31 31 HIS N N 31 120.473 120.404 0.069 1
1 296 . 16 1 1 A 32 32 GLN H H 32 8.815 8.154 0.661 1
1 297 . 16 1 1 A 32 32 GLN HA H 32 3.691 3.943 -0.252 1
1 304 . 16 1 1 A 32 32 GLN C C 32 178.072 178.709 -0.637 1
1 305 . 16 1 1 A 32 32 GLN CA C 32 59.764 59.111 0.653 1
1 306 . 16 1 1 A 32 32 GLN CB C 32 27.967 28.236 -0.269 1
1 308 . 16 1 1 A 32 32 GLN N N 32 120.188 118.063 2.125 1
1 310 . 16 1 1 A 33 33 ARG H H 33 7.307 7.619 -0.312 1
1 311 . 16 1 1 A 33 33 ARG HA H 33 4.124 4.066 0.058 1
1 318 . 16 1 1 A 33 33 ARG C C 33 178.441 178.831 -0.390 1
1 319 . 16 1 1 A 33 33 ARG CA C 33 58.665 58.938 -0.273 1
1 320 . 16 1 1 A 33 33 ARG CB C 33 29.859 29.975 -0.116 1
1 323 . 16 1 1 A 33 33 ARG N N 33 118.223 120.007 -1.784 1
1 324 . 16 1 1 A 34 34 THR H H 34 7.731 8.259 -0.528 1
1 325 . 16 1 1 A 34 34 THR HA H 34 4.123 4.031 0.092 1
1 330 . 16 1 1 A 34 34 THR C C 34 175.609 175.458 0.151 1
1 331 . 16 1 1 A 34 34 THR CA C 34 63.859 64.770 -0.911 1
1 332 . 16 1 1 A 34 34 THR CB C 34 69.118 68.583 0.535 1
1 334 . 16 1 1 A 34 34 THR N N 34 109.975 113.884 -3.909 1
1 335 . 16 1 1 A 35 35 HIS H H 35 7.062 7.818 -0.756 1
1 336 . 16 1 1 A 35 35 HIS HA H 35 4.799 4.558 0.241 1
1 341 . 16 1 1 A 35 35 HIS C C 35 175.092 175.864 -0.772 1
1 342 . 16 1 1 A 35 35 HIS CA C 35 55.122 56.683 -1.561 1
1 343 . 16 1 1 A 35 35 HIS CB C 35 28.756 29.187 -0.431 1
1 346 . 16 1 1 A 35 35 HIS N N 35 118.423 119.237 -0.814 1
1 347 . 16 1 1 A 36 36 ALA H H 36 7.630 7.274 0.356 1
1 348 . 16 1 1 A 36 36 ALA HA H 36 4.347 4.400 -0.053 1
1 352 . 16 1 1 A 36 36 ALA C C 36 178.040 178.158 -0.118 1
1 353 . 16 1 1 A 36 36 ALA CA C 36 53.136 52.797 0.339 1
1 354 . 16 1 1 A 36 36 ALA CB C 36 19.243 20.558 -1.315 1
1 355 . 16 1 1 A 36 36 ALA N N 36 123.035 120.571 2.464 1
1 356 . 16 1 1 A 37 37 GLY H H 37 8.237 7.532 0.705 1
1 357 . 16 1 1 A 37 37 GLY HA2 H 37 3.966 3.799 0.167 1
1 358 . 16 1 1 A 37 37 GLY HA3 H 37 3.966 3.809 0.157 1
1 359 . 16 1 1 A 37 37 GLY C C 37 174.074 173.631 0.443 1
1 360 . 16 1 1 A 37 37 GLY CA C 37 45.231 46.081 -0.850 1
1 361 . 16 1 1 A 37 37 GLY N N 37 107.712 105.801 1.911 1
1 362 . 16 1 1 A 38 38 GLU H H 38 8.092 8.689 -0.597 1
1 363 . 16 1 1 A 38 38 GLU HA H 38 4.283 5.062 -0.779 1
1 368 . 16 1 1 A 38 38 GLU C C 38 176.336 174.478 1.858 1
1 369 . 16 1 1 A 38 38 GLU CA C 38 56.392 54.504 1.888 1
1 370 . 16 1 1 A 38 38 GLU CB C 38 30.516 34.459 -3.943 1
1 372 . 16 1 1 A 38 38 GLU N N 38 120.352 122.857 -2.505 1
1 373 . 16 1 1 A 39 39 LYS H H 39 8.396 8.845 -0.449 1
1 374 . 16 1 1 A 39 39 LYS HA H 39 4.623 4.995 -0.372 1
1 383 . 16 1 1 A 39 39 LYS C C 39 174.472 175.537 -1.065 1
1 384 . 16 1 1 A 39 39 LYS CA C 39 54.053 52.895 1.158 1
1 385 . 16 1 1 A 39 39 LYS CB C 39 32.429 35.978 -3.549 1
1 389 . 16 1 1 A 39 39 LYS N N 39 123.622 123.021 0.601 1
1 390 . 16 1 1 A 40 40 PRO HA H 40 4.467 4.620 -0.153 1
1 397 . 16 1 1 A 40 40 PRO CA C 40 63.263 62.308 0.955 1
1 398 . 16 1 1 A 40 40 PRO CB C 40 32.140 32.978 -0.838 1
1 401 . 16 1 1 A 42 42 GLY HA2 H 42 4.163 4.025 0.138 1
1 402 . 16 1 1 A 42 42 GLY HA3 H 42 4.097 4.025 0.072 1
1 403 . 16 1 1 A 42 42 GLY CA C 42 44.650 46.330 -1.680 1
1 404 . 16 1 1 A 43 43 PRO HA H 43 4.432 4.492 -0.060 1
1 411 . 16 1 1 A 43 43 PRO CA C 43 63.073 62.430 0.643 1
1 412 . 16 1 1 A 43 43 PRO CB C 43 32.138 32.236 -0.098 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.007 4.000 0.007 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.007 4.001 0.006 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.477 173.125 1.352 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.398 45.804 -0.406 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.136 8.111 0.025 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.362 4.890 -0.528 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.239 173.545 1.694 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.653 59.541 2.112 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.822 71.960 -2.138 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.770 117.429 -4.659 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.425 8.760 -0.335 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.967 4.078 -0.111 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.897 4.079 -0.182 1
1 19 . 17 1 1 A 9 9 GLY C C 9 173.998 172.798 1.200 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.295 44.270 1.025 1
1 21 . 17 1 1 A 9 9 GLY N N 9 110.930 114.721 -3.791 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.184 9.068 -0.884 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.190 5.041 -0.851 1
1 28 . 17 1 1 A 10 10 GLU C C 10 175.905 175.432 0.473 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.816 54.384 2.432 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.490 33.052 -2.562 1
1 32 . 17 1 1 A 10 10 GLU N N 10 119.839 116.647 3.192 1
1 33 . 17 1 1 A 11 11 ASN H H 11 8.336 8.567 -0.231 1
1 34 . 17 1 1 A 11 11 ASN HA H 11 4.872 4.672 0.200 1
1 39 . 17 1 1 A 11 11 ASN C C 11 172.608 175.539 -2.931 1
1 40 . 17 1 1 A 11 11 ASN CA C 11 51.221 52.123 -0.902 1
1 41 . 17 1 1 A 11 11 ASN CB C 11 39.327 38.189 1.138 1
1 42 . 17 1 1 A 11 11 ASN N N 11 119.052 119.502 -0.450 1
1 44 . 17 1 1 A 12 12 PRO HA H 12 4.264 4.360 -0.096 1
1 51 . 17 1 1 A 12 12 PRO C C 12 176.384 175.684 0.700 1
1 52 . 17 1 1 A 12 12 PRO CA C 12 63.452 64.167 -0.715 1
1 53 . 17 1 1 A 12 12 PRO CB C 12 32.238 31.282 0.956 1
1 56 . 17 1 1 A 13 13 TYR H H 13 7.915 7.029 0.886 1
1 57 . 17 1 1 A 13 13 TYR HA H 13 4.630 5.146 -0.516 1
1 64 . 17 1 1 A 13 13 TYR C C 13 174.410 174.450 -0.040 1
1 65 . 17 1 1 A 13 13 TYR CA C 13 57.169 56.601 0.568 1
1 66 . 17 1 1 A 13 13 TYR CB C 13 38.062 39.910 -1.848 1
1 71 . 17 1 1 A 13 13 TYR N N 13 118.491 118.958 -0.467 1
1 72 . 17 1 1 A 14 14 GLU H H 14 8.391 9.046 -0.655 1
1 73 . 17 1 1 A 14 14 GLU HA H 14 4.767 5.365 -0.598 1
1 78 . 17 1 1 A 14 14 GLU C C 14 174.879 175.769 -0.890 1
1 79 . 17 1 1 A 14 14 GLU CA C 14 55.103 54.569 0.534 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 32.827 32.986 -0.159 1
1 82 . 17 1 1 A 14 14 GLU N N 14 124.387 124.342 0.045 1
1 83 . 17 1 1 A 15 15 CYS H H 15 9.266 9.192 0.074 1
1 84 . 17 1 1 A 15 15 CYS HA H 15 4.543 4.473 0.070 1
1 87 . 17 1 1 A 15 15 CYS C C 15 177.019 176.773 0.246 1
1 88 . 17 1 1 A 15 15 CYS CA C 15 59.235 59.769 -0.534 1
1 89 . 17 1 1 A 15 15 CYS CB C 15 29.540 28.133 1.407 1
1 90 . 17 1 1 A 15 15 CYS N N 15 126.125 123.903 2.222 1
1 91 . 17 1 1 A 16 16 HIS HA H 16 4.581 4.616 -0.035 1
1 96 . 17 1 1 A 16 16 HIS C C 16 175.444 174.723 0.721 1
1 97 . 17 1 1 A 16 16 HIS CA C 16 58.116 56.650 1.466 1
1 98 . 17 1 1 A 16 16 HIS CB C 16 29.448 29.787 -0.339 1
1 101 . 17 1 1 A 16 16 HIS N N 16 120.818 124.582 -3.764 1
1 102 . 17 1 1 A 17 17 GLU H H 17 8.532 7.888 0.644 1
1 103 . 17 1 1 A 17 17 GLU HA H 17 4.154 4.385 -0.231 1
1 108 . 17 1 1 A 17 17 GLU C C 17 177.167 177.784 -0.617 1
1 109 . 17 1 1 A 17 17 GLU CA C 17 58.373 57.108 1.265 1
1 110 . 17 1 1 A 17 17 GLU CB C 17 29.496 30.962 -1.466 1
1 112 . 17 1 1 A 17 17 GLU N N 17 120.802 117.514 3.288 1
1 113 . 17 1 1 A 18 18 CYS H H 18 7.828 8.130 -0.302 1
1 114 . 17 1 1 A 18 18 CYS HA H 18 5.133 4.684 0.449 1
1 117 . 17 1 1 A 18 18 CYS C C 18 176.064 175.325 0.739 1
1 118 . 17 1 1 A 18 18 CYS CA C 18 58.259 59.745 -1.486 1
1 119 . 17 1 1 A 18 18 CYS CB C 18 32.515 29.825 2.690 1
1 120 . 17 1 1 A 18 18 CYS N N 18 114.288 114.709 -0.421 1
1 121 . 17 1 1 A 19 19 GLY H H 19 8.215 7.990 0.225 1
1 122 . 17 1 1 A 19 19 GLY HA2 H 19 3.863 4.077 -0.214 1
1 123 . 17 1 1 A 19 19 GLY HA3 H 19 4.207 4.086 0.121 1
1 124 . 17 1 1 A 19 19 GLY C C 19 173.989 174.576 -0.587 1
1 125 . 17 1 1 A 19 19 GLY CA C 19 46.144 45.070 1.074 1
1 126 . 17 1 1 A 19 19 GLY N N 19 113.636 109.848 3.788 1
1 127 . 17 1 1 A 20 20 LYS H H 20 7.895 7.460 0.435 1
1 128 . 17 1 1 A 20 20 LYS HA H 20 3.938 4.262 -0.324 1
1 137 . 17 1 1 A 20 20 LYS C C 20 173.489 175.337 -1.848 1
1 138 . 17 1 1 A 20 20 LYS CA C 20 57.884 55.815 2.069 1
1 139 . 17 1 1 A 20 20 LYS CB C 20 33.788 33.665 0.123 1
1 143 . 17 1 1 A 20 20 LYS N N 20 122.674 121.953 0.721 1
1 144 . 17 1 1 A 21 21 ALA H H 21 7.745 7.904 -0.159 1
1 145 . 17 1 1 A 21 21 ALA HA H 21 5.041 5.349 -0.308 1
1 149 . 17 1 1 A 21 21 ALA C C 21 176.127 175.030 1.097 1
1 150 . 17 1 1 A 21 21 ALA CA C 21 50.368 50.419 -0.051 1
1 151 . 17 1 1 A 21 21 ALA CB C 21 22.257 23.394 -1.137 1
1 152 . 17 1 1 A 21 21 ALA N N 21 123.181 124.316 -1.135 1
1 153 . 17 1 1 A 22 22 PHE H H 22 8.499 9.238 -0.739 1
1 154 . 17 1 1 A 22 22 PHE HA H 22 4.707 4.969 -0.262 1
1 162 . 17 1 1 A 22 22 PHE C C 22 175.514 175.579 -0.065 1
1 163 . 17 1 1 A 22 22 PHE CA C 22 57.024 56.976 0.048 1
1 164 . 17 1 1 A 22 22 PHE CB C 22 43.573 43.267 0.306 1
1 170 . 17 1 1 A 22 22 PHE N N 22 117.063 117.606 -0.543 1
1 171 . 17 1 1 A 23 23 SER H H 23 8.920 8.591 0.329 1
1 172 . 17 1 1 A 23 23 SER HA H 23 4.679 4.527 0.152 1
1 175 . 17 1 1 A 23 23 SER C C 23 174.739 173.972 0.767 1
1 176 . 17 1 1 A 23 23 SER CA C 23 60.211 61.533 -1.322 1
1 177 . 17 1 1 A 23 23 SER CB C 23 64.285 63.421 0.864 1
1 178 . 17 1 1 A 23 23 SER N N 23 115.806 117.548 -1.742 1
1 179 . 17 1 1 A 24 24 ARG H H 24 7.566 7.927 -0.361 1
1 180 . 17 1 1 A 24 24 ARG HA H 24 4.797 4.615 0.182 1
1 187 . 17 1 1 A 24 24 ARG C C 24 176.488 176.693 -0.205 1
1 188 . 17 1 1 A 24 24 ARG CA C 24 53.323 54.202 -0.879 1
1 189 . 17 1 1 A 24 24 ARG CB C 24 33.751 32.331 1.420 1
1 192 . 17 1 1 A 24 24 ARG N N 24 117.138 118.936 -1.798 1
1 193 . 17 1 1 A 25 25 LYS H H 25 8.511 8.476 0.035 1
1 194 . 17 1 1 A 25 25 LYS HA H 25 2.879 2.946 -0.067 1
1 203 . 17 1 1 A 25 25 LYS C C 25 178.784 177.519 1.265 1
1 204 . 17 1 1 A 25 25 LYS CA C 25 59.821 58.237 1.584 1
1 205 . 17 1 1 A 25 25 LYS CB C 25 31.540 31.766 -0.226 1
1 209 . 17 1 1 A 25 25 LYS N N 25 116.581 122.836 -6.255 1
1 210 . 17 1 1 A 26 26 TYR H H 26 8.189 8.129 0.060 1
1 211 . 17 1 1 A 26 26 TYR HA H 26 4.155 4.082 0.073 1
1 218 . 17 1 1 A 26 26 TYR C C 26 177.714 178.282 -0.568 1
1 219 . 17 1 1 A 26 26 TYR CA C 26 60.191 60.712 -0.521 1
1 220 . 17 1 1 A 26 26 TYR CB C 26 36.264 37.215 -0.951 1
1 225 . 17 1 1 A 26 26 TYR N N 26 114.321 118.623 -4.302 1
1 226 . 17 1 1 A 27 27 GLN H H 27 6.421 7.430 -1.009 1
1 227 . 17 1 1 A 27 27 GLN HA H 27 3.781 3.205 0.576 1
1 234 . 17 1 1 A 27 27 GLN C C 27 178.492 177.050 1.442 1
1 235 . 17 1 1 A 27 27 GLN CA C 27 57.318 58.049 -0.731 1
1 236 . 17 1 1 A 27 27 GLN CB C 27 28.324 28.088 0.236 1
1 238 . 17 1 1 A 27 27 GLN N N 27 119.701 120.854 -1.153 1
1 240 . 17 1 1 A 28 28 LEU H H 28 6.727 7.144 -0.417 1
1 241 . 17 1 1 A 28 28 LEU HA H 28 3.340 1.810 1.530 1
1 251 . 17 1 1 A 28 28 LEU C C 28 177.564 178.103 -0.539 1
1 252 . 17 1 1 A 28 28 LEU CA C 28 57.865 56.350 1.515 1
1 253 . 17 1 1 A 28 28 LEU CB C 28 40.440 41.773 -1.333 1
1 257 . 17 1 1 A 28 28 LEU N N 28 121.434 120.797 0.637 1
1 258 . 17 1 1 A 29 29 ILE H H 29 7.970 7.588 0.382 1
1 259 . 17 1 1 A 29 29 ILE HA H 29 3.741 3.431 0.310 1
1 269 . 17 1 1 A 29 29 ILE C C 29 179.163 177.893 1.270 1
1 270 . 17 1 1 A 29 29 ILE CA C 29 64.518 65.226 -0.708 1
1 271 . 17 1 1 A 29 29 ILE CB C 29 37.255 37.627 -0.372 1
1 275 . 17 1 1 A 29 29 ILE N N 29 119.312 120.487 -1.175 1
1 276 . 17 1 1 A 30 30 SER H H 30 7.665 7.904 -0.239 1
1 277 . 17 1 1 A 30 30 SER HA H 30 4.091 4.012 0.079 1
1 280 . 17 1 1 A 30 30 SER C C 30 177.361 176.981 0.380 1
1 281 . 17 1 1 A 30 30 SER CA C 30 61.460 61.139 0.321 1
1 282 . 17 1 1 A 30 30 SER CB C 30 62.526 63.007 -0.481 1
1 283 . 17 1 1 A 30 30 SER N N 30 113.605 115.045 -1.440 1
1 284 . 17 1 1 A 31 31 HIS H H 31 7.600 7.482 0.118 1
1 285 . 17 1 1 A 31 31 HIS HA H 31 4.237 4.334 -0.097 1
1 290 . 17 1 1 A 31 31 HIS C C 31 177.843 177.093 0.750 1
1 291 . 17 1 1 A 31 31 HIS CA C 31 59.125 59.489 -0.364 1
1 292 . 17 1 1 A 31 31 HIS CB C 31 28.478 29.877 -1.399 1
1 295 . 17 1 1 A 31 31 HIS N N 31 120.473 120.296 0.177 1
1 296 . 17 1 1 A 32 32 GLN H H 32 8.815 8.171 0.644 1
1 297 . 17 1 1 A 32 32 GLN HA H 32 3.691 3.863 -0.172 1
1 304 . 17 1 1 A 32 32 GLN C C 32 178.072 178.544 -0.472 1
1 305 . 17 1 1 A 32 32 GLN CA C 32 59.764 58.966 0.798 1
1 306 . 17 1 1 A 32 32 GLN CB C 32 27.967 28.245 -0.278 1
1 308 . 17 1 1 A 32 32 GLN N N 32 120.188 117.573 2.615 1
1 310 . 17 1 1 A 33 33 ARG H H 33 7.307 7.794 -0.487 1
1 311 . 17 1 1 A 33 33 ARG HA H 33 4.124 4.036 0.088 1
1 318 . 17 1 1 A 33 33 ARG C C 33 178.441 178.793 -0.352 1
1 319 . 17 1 1 A 33 33 ARG CA C 33 58.665 59.279 -0.614 1
1 320 . 17 1 1 A 33 33 ARG CB C 33 29.859 29.812 0.047 1
1 323 . 17 1 1 A 33 33 ARG N N 33 118.223 120.329 -2.106 1
1 324 . 17 1 1 A 34 34 THR H H 34 7.731 8.317 -0.586 1
1 325 . 17 1 1 A 34 34 THR HA H 34 4.123 3.905 0.218 1
1 330 . 17 1 1 A 34 34 THR C C 34 175.609 177.185 -1.576 1
1 331 . 17 1 1 A 34 34 THR CA C 34 63.859 65.625 -1.766 1
1 332 . 17 1 1 A 34 34 THR CB C 34 69.118 67.819 1.299 1
1 334 . 17 1 1 A 34 34 THR N N 34 109.975 113.006 -3.031 1
1 335 . 17 1 1 A 35 35 HIS H H 35 7.062 7.706 -0.644 1
1 336 . 17 1 1 A 35 35 HIS HA H 35 4.799 4.306 0.493 1
1 341 . 17 1 1 A 35 35 HIS C C 35 175.092 176.259 -1.167 1
1 342 . 17 1 1 A 35 35 HIS CA C 35 55.122 59.475 -4.353 1
1 343 . 17 1 1 A 35 35 HIS CB C 35 28.756 30.413 -1.657 1
1 346 . 17 1 1 A 35 35 HIS N N 35 118.423 119.441 -1.018 1
1 347 . 17 1 1 A 36 36 ALA H H 36 7.630 7.582 0.048 1
1 348 . 17 1 1 A 36 36 ALA HA H 36 4.347 4.070 0.277 1
1 352 . 17 1 1 A 36 36 ALA C C 36 178.040 178.036 0.004 1
1 353 . 17 1 1 A 36 36 ALA CA C 36 53.136 53.168 -0.032 1
1 354 . 17 1 1 A 36 36 ALA CB C 36 19.243 19.475 -0.232 1
1 355 . 17 1 1 A 36 36 ALA N N 36 123.035 121.834 1.201 1
1 356 . 17 1 1 A 37 37 GLY H H 37 8.237 8.452 -0.215 1
1 357 . 17 1 1 A 37 37 GLY HA2 H 37 3.966 4.181 -0.215 1
1 358 . 17 1 1 A 37 37 GLY HA3 H 37 3.966 4.188 -0.222 1
1 359 . 17 1 1 A 37 37 GLY C C 37 174.074 172.804 1.270 1
1 360 . 17 1 1 A 37 37 GLY CA C 37 45.231 46.111 -0.880 1
1 361 . 17 1 1 A 37 37 GLY N N 37 107.712 109.333 -1.621 1
1 362 . 17 1 1 A 38 38 GLU H H 38 8.092 7.808 0.284 1
1 363 . 17 1 1 A 38 38 GLU HA H 38 4.283 4.896 -0.613 1
1 368 . 17 1 1 A 38 38 GLU C C 38 176.336 175.659 0.677 1
1 369 . 17 1 1 A 38 38 GLU CA C 38 56.392 54.506 1.886 1
1 370 . 17 1 1 A 38 38 GLU CB C 38 30.516 34.499 -3.983 1
1 372 . 17 1 1 A 38 38 GLU N N 38 120.352 118.654 1.698 1
1 373 . 17 1 1 A 39 39 LYS H H 39 8.396 8.512 -0.116 1
1 374 . 17 1 1 A 39 39 LYS HA H 39 4.623 4.820 -0.197 1
1 383 . 17 1 1 A 39 39 LYS C C 39 174.472 176.454 -1.982 1
1 384 . 17 1 1 A 39 39 LYS CA C 39 54.053 54.193 -0.140 1
1 385 . 17 1 1 A 39 39 LYS CB C 39 32.429 33.187 -0.758 1
1 389 . 17 1 1 A 39 39 LYS N N 39 123.622 121.787 1.835 1
1 390 . 17 1 1 A 40 40 PRO HA H 40 4.467 4.467 0.000 1
1 397 . 17 1 1 A 40 40 PRO CA C 40 63.263 64.571 -1.308 1
1 398 . 17 1 1 A 40 40 PRO CB C 40 32.140 31.778 0.362 1
1 401 . 17 1 1 A 42 42 GLY HA2 H 42 4.163 4.014 0.149 1
1 402 . 17 1 1 A 42 42 GLY HA3 H 42 4.097 4.014 0.083 1
1 403 . 17 1 1 A 42 42 GLY CA C 42 44.650 45.231 -0.581 1
1 404 . 17 1 1 A 43 43 PRO HA H 43 4.432 4.583 -0.151 1
1 411 . 17 1 1 A 43 43 PRO CA C 43 63.073 62.281 0.792 1
1 412 . 17 1 1 A 43 43 PRO CB C 43 32.138 29.600 2.538 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.007 4.203 -0.196 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.007 4.205 -0.198 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.477 172.733 1.744 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.398 45.611 -0.213 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.136 8.737 -0.601 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.362 4.572 -0.210 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.239 173.781 1.458 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.653 62.987 -1.334 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.822 69.442 0.380 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.770 119.042 -6.272 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.425 8.508 -0.083 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.967 4.170 -0.203 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.897 4.182 -0.285 1
1 19 . 18 1 1 A 9 9 GLY C C 9 173.998 173.679 0.319 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.295 45.490 -0.195 1
1 21 . 18 1 1 A 9 9 GLY N N 9 110.930 114.102 -3.172 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.184 8.805 -0.621 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.190 4.419 -0.229 1
1 28 . 18 1 1 A 10 10 GLU C C 10 175.905 175.398 0.507 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.816 55.932 0.884 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.490 29.013 1.477 1
1 32 . 18 1 1 A 10 10 GLU N N 10 119.839 123.833 -3.994 1
1 33 . 18 1 1 A 11 11 ASN H H 11 8.336 7.667 0.669 1
1 34 . 18 1 1 A 11 11 ASN HA H 11 4.872 5.368 -0.496 1
1 39 . 18 1 1 A 11 11 ASN C C 11 172.608 174.417 -1.809 1
1 40 . 18 1 1 A 11 11 ASN CA C 11 51.221 49.392 1.829 1
1 41 . 18 1 1 A 11 11 ASN CB C 11 39.327 40.726 -1.399 1
1 42 . 18 1 1 A 11 11 ASN N N 11 119.052 123.599 -4.547 1
1 44 . 18 1 1 A 12 12 PRO HA H 12 4.264 4.419 -0.155 1
1 51 . 18 1 1 A 12 12 PRO C C 12 176.384 175.713 0.671 1
1 52 . 18 1 1 A 12 12 PRO CA C 12 63.452 64.028 -0.576 1
1 53 . 18 1 1 A 12 12 PRO CB C 12 32.238 31.407 0.831 1
1 56 . 18 1 1 A 13 13 TYR H H 13 7.915 7.156 0.759 1
1 57 . 18 1 1 A 13 13 TYR HA H 13 4.630 5.006 -0.376 1
1 64 . 18 1 1 A 13 13 TYR C C 13 174.410 174.591 -0.181 1
1 65 . 18 1 1 A 13 13 TYR CA C 13 57.169 56.629 0.540 1
1 66 . 18 1 1 A 13 13 TYR CB C 13 38.062 39.326 -1.264 1
1 71 . 18 1 1 A 13 13 TYR N N 13 118.491 119.079 -0.588 1
1 72 . 18 1 1 A 14 14 GLU H H 14 8.391 9.074 -0.683 1
1 73 . 18 1 1 A 14 14 GLU HA H 14 4.767 5.380 -0.613 1
1 78 . 18 1 1 A 14 14 GLU C C 14 174.879 175.787 -0.908 1
1 79 . 18 1 1 A 14 14 GLU CA C 14 55.103 54.499 0.604 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 32.827 32.896 -0.069 1
1 82 . 18 1 1 A 14 14 GLU N N 14 124.387 124.371 0.016 1
1 83 . 18 1 1 A 15 15 CYS H H 15 9.266 9.042 0.224 1
1 84 . 18 1 1 A 15 15 CYS HA H 15 4.543 4.673 -0.130 1
1 87 . 18 1 1 A 15 15 CYS C C 15 177.019 176.795 0.224 1
1 88 . 18 1 1 A 15 15 CYS CA C 15 59.235 59.673 -0.438 1
1 89 . 18 1 1 A 15 15 CYS CB C 15 29.540 28.562 0.978 1
1 90 . 18 1 1 A 15 15 CYS N N 15 126.125 123.998 2.127 1
1 91 . 18 1 1 A 16 16 HIS HA H 16 4.581 4.595 -0.014 1
1 96 . 18 1 1 A 16 16 HIS C C 16 175.444 174.663 0.781 1
1 97 . 18 1 1 A 16 16 HIS CA C 16 58.116 56.693 1.423 1
1 98 . 18 1 1 A 16 16 HIS CB C 16 29.448 29.680 -0.232 1
1 101 . 18 1 1 A 16 16 HIS N N 16 120.818 125.033 -4.215 1
1 102 . 18 1 1 A 17 17 GLU H H 17 8.532 7.973 0.559 1
1 103 . 18 1 1 A 17 17 GLU HA H 17 4.154 4.229 -0.075 1
1 108 . 18 1 1 A 17 17 GLU C C 17 177.167 177.735 -0.568 1
1 109 . 18 1 1 A 17 17 GLU CA C 17 58.373 57.096 1.277 1
1 110 . 18 1 1 A 17 17 GLU CB C 17 29.496 31.415 -1.919 1
1 112 . 18 1 1 A 17 17 GLU N N 17 120.802 117.032 3.770 1
1 113 . 18 1 1 A 18 18 CYS H H 18 7.828 8.206 -0.378 1
1 114 . 18 1 1 A 18 18 CYS HA H 18 5.133 4.657 0.476 1
1 117 . 18 1 1 A 18 18 CYS C C 18 176.064 175.236 0.828 1
1 118 . 18 1 1 A 18 18 CYS CA C 18 58.259 59.754 -1.495 1
1 119 . 18 1 1 A 18 18 CYS CB C 18 32.515 29.751 2.764 1
1 120 . 18 1 1 A 18 18 CYS N N 18 114.288 114.850 -0.562 1
1 121 . 18 1 1 A 19 19 GLY H H 19 8.215 7.954 0.261 1
1 122 . 18 1 1 A 19 19 GLY HA2 H 19 3.863 4.081 -0.218 1
1 123 . 18 1 1 A 19 19 GLY HA3 H 19 4.207 4.096 0.111 1
1 124 . 18 1 1 A 19 19 GLY C C 19 173.989 174.564 -0.575 1
1 125 . 18 1 1 A 19 19 GLY CA C 19 46.144 45.137 1.007 1
1 126 . 18 1 1 A 19 19 GLY N N 19 113.636 109.923 3.713 1
1 127 . 18 1 1 A 20 20 LYS H H 20 7.895 7.953 -0.058 1
1 128 . 18 1 1 A 20 20 LYS HA H 20 3.938 4.364 -0.426 1
1 137 . 18 1 1 A 20 20 LYS C C 20 173.489 175.461 -1.972 1
1 138 . 18 1 1 A 20 20 LYS CA C 20 57.884 55.424 2.460 1
1 139 . 18 1 1 A 20 20 LYS CB C 20 33.788 34.085 -0.297 1
1 143 . 18 1 1 A 20 20 LYS N N 20 122.674 121.573 1.101 1
1 144 . 18 1 1 A 21 21 ALA H H 21 7.745 7.865 -0.120 1
1 145 . 18 1 1 A 21 21 ALA HA H 21 5.041 5.554 -0.513 1
1 149 . 18 1 1 A 21 21 ALA C C 21 176.127 174.775 1.352 1
1 150 . 18 1 1 A 21 21 ALA CA C 21 50.368 50.647 -0.279 1
1 151 . 18 1 1 A 21 21 ALA CB C 21 22.257 23.573 -1.316 1
1 152 . 18 1 1 A 21 21 ALA N N 21 123.181 123.822 -0.641 1
1 153 . 18 1 1 A 22 22 PHE H H 22 8.499 9.235 -0.736 1
1 154 . 18 1 1 A 22 22 PHE HA H 22 4.707 4.884 -0.177 1
1 162 . 18 1 1 A 22 22 PHE C C 22 175.514 175.865 -0.351 1
1 163 . 18 1 1 A 22 22 PHE CA C 22 57.024 56.831 0.193 1
1 164 . 18 1 1 A 22 22 PHE CB C 22 43.573 42.702 0.871 1
1 170 . 18 1 1 A 22 22 PHE N N 22 117.063 117.616 -0.553 1
1 171 . 18 1 1 A 23 23 SER H H 23 8.920 8.226 0.694 1
1 172 . 18 1 1 A 23 23 SER HA H 23 4.679 4.573 0.106 1
1 175 . 18 1 1 A 23 23 SER C C 23 174.739 175.094 -0.355 1
1 176 . 18 1 1 A 23 23 SER CA C 23 60.211 61.870 -1.659 1
1 177 . 18 1 1 A 23 23 SER CB C 23 64.285 63.451 0.834 1
1 178 . 18 1 1 A 23 23 SER N N 23 115.806 116.961 -1.155 1
1 179 . 18 1 1 A 24 24 ARG H H 24 7.566 7.971 -0.405 1
1 180 . 18 1 1 A 24 24 ARG HA H 24 4.797 4.478 0.319 1
1 187 . 18 1 1 A 24 24 ARG C C 24 176.488 176.456 0.032 1
1 188 . 18 1 1 A 24 24 ARG CA C 24 53.323 54.164 -0.841 1
1 189 . 18 1 1 A 24 24 ARG CB C 24 33.751 32.020 1.731 1
1 192 . 18 1 1 A 24 24 ARG N N 24 117.138 118.965 -1.827 1
1 193 . 18 1 1 A 25 25 LYS H H 25 8.511 8.435 0.076 1
1 194 . 18 1 1 A 25 25 LYS HA H 25 2.879 3.058 -0.179 1
1 203 . 18 1 1 A 25 25 LYS C C 25 178.784 177.393 1.391 1
1 204 . 18 1 1 A 25 25 LYS CA C 25 59.821 58.516 1.305 1
1 205 . 18 1 1 A 25 25 LYS CB C 25 31.540 32.181 -0.641 1
1 209 . 18 1 1 A 25 25 LYS N N 25 116.581 123.261 -6.680 1
1 210 . 18 1 1 A 26 26 TYR H H 26 8.189 8.322 -0.133 1
1 211 . 18 1 1 A 26 26 TYR HA H 26 4.155 4.098 0.057 1
1 218 . 18 1 1 A 26 26 TYR C C 26 177.714 178.373 -0.659 1
1 219 . 18 1 1 A 26 26 TYR CA C 26 60.191 60.822 -0.631 1
1 220 . 18 1 1 A 26 26 TYR CB C 26 36.264 37.166 -0.902 1
1 225 . 18 1 1 A 26 26 TYR N N 26 114.321 118.630 -4.309 1
1 226 . 18 1 1 A 27 27 GLN H H 27 6.421 7.335 -0.914 1
1 227 . 18 1 1 A 27 27 GLN HA H 27 3.781 3.192 0.589 1
1 234 . 18 1 1 A 27 27 GLN C C 27 178.492 177.297 1.195 1
1 235 . 18 1 1 A 27 27 GLN CA C 27 57.318 57.935 -0.617 1
1 236 . 18 1 1 A 27 27 GLN CB C 27 28.324 28.080 0.244 1
1 238 . 18 1 1 A 27 27 GLN N N 27 119.701 120.766 -1.065 1
1 240 . 18 1 1 A 28 28 LEU H H 28 6.727 7.504 -0.777 1
1 241 . 18 1 1 A 28 28 LEU HA H 28 3.340 1.957 1.383 1
1 251 . 18 1 1 A 28 28 LEU C C 28 177.564 177.856 -0.292 1
1 252 . 18 1 1 A 28 28 LEU CA C 28 57.865 56.227 1.638 1
1 253 . 18 1 1 A 28 28 LEU CB C 28 40.440 42.137 -1.697 1
1 257 . 18 1 1 A 28 28 LEU N N 28 121.434 120.582 0.852 1
1 258 . 18 1 1 A 29 29 ILE H H 29 7.970 7.555 0.415 1
1 259 . 18 1 1 A 29 29 ILE HA H 29 3.741 3.491 0.250 1
1 269 . 18 1 1 A 29 29 ILE C C 29 179.163 177.881 1.282 1
1 270 . 18 1 1 A 29 29 ILE CA C 29 64.518 65.059 -0.541 1
1 271 . 18 1 1 A 29 29 ILE CB C 29 37.255 37.605 -0.350 1
1 275 . 18 1 1 A 29 29 ILE N N 29 119.312 120.332 -1.020 1
1 276 . 18 1 1 A 30 30 SER H H 30 7.665 7.961 -0.296 1
1 277 . 18 1 1 A 30 30 SER HA H 30 4.091 4.093 -0.002 1
1 280 . 18 1 1 A 30 30 SER C C 30 177.361 176.808 0.553 1
1 281 . 18 1 1 A 30 30 SER CA C 30 61.460 60.726 0.734 1
1 282 . 18 1 1 A 30 30 SER CB C 30 62.526 63.100 -0.574 1
1 283 . 18 1 1 A 30 30 SER N N 30 113.605 115.274 -1.669 1
1 284 . 18 1 1 A 31 31 HIS H H 31 7.600 7.384 0.216 1
1 285 . 18 1 1 A 31 31 HIS HA H 31 4.237 4.321 -0.084 1
1 290 . 18 1 1 A 31 31 HIS C C 31 177.843 177.456 0.387 1
1 291 . 18 1 1 A 31 31 HIS CA C 31 59.125 59.311 -0.186 1
1 292 . 18 1 1 A 31 31 HIS CB C 31 28.478 29.974 -1.496 1
1 295 . 18 1 1 A 31 31 HIS N N 31 120.473 120.989 -0.516 1
1 296 . 18 1 1 A 32 32 GLN H H 32 8.815 8.228 0.587 1
1 297 . 18 1 1 A 32 32 GLN HA H 32 3.691 4.026 -0.335 1
1 304 . 18 1 1 A 32 32 GLN C C 32 178.072 178.886 -0.814 1
1 305 . 18 1 1 A 32 32 GLN CA C 32 59.764 59.205 0.559 1
1 306 . 18 1 1 A 32 32 GLN CB C 32 27.967 28.362 -0.395 1
1 308 . 18 1 1 A 32 32 GLN N N 32 120.188 117.712 2.476 1
1 310 . 18 1 1 A 33 33 ARG H H 33 7.307 7.793 -0.486 1
1 311 . 18 1 1 A 33 33 ARG HA H 33 4.124 3.987 0.137 1
1 318 . 18 1 1 A 33 33 ARG C C 33 178.441 178.880 -0.439 1
1 319 . 18 1 1 A 33 33 ARG CA C 33 58.665 59.158 -0.493 1
1 320 . 18 1 1 A 33 33 ARG CB C 33 29.859 29.862 -0.003 1
1 323 . 18 1 1 A 33 33 ARG N N 33 118.223 120.428 -2.205 1
1 324 . 18 1 1 A 34 34 THR H H 34 7.731 8.192 -0.461 1
1 325 . 18 1 1 A 34 34 THR HA H 34 4.123 3.910 0.213 1
1 330 . 18 1 1 A 34 34 THR C C 34 175.609 177.111 -1.502 1
1 331 . 18 1 1 A 34 34 THR CA C 34 63.859 65.632 -1.773 1
1 332 . 18 1 1 A 34 34 THR CB C 34 69.118 67.771 1.347 1
1 334 . 18 1 1 A 34 34 THR N N 34 109.975 113.139 -3.164 1
1 335 . 18 1 1 A 35 35 HIS H H 35 7.062 7.955 -0.893 1
1 336 . 18 1 1 A 35 35 HIS HA H 35 4.799 4.292 0.507 1
1 341 . 18 1 1 A 35 35 HIS C C 35 175.092 176.093 -1.001 1
1 342 . 18 1 1 A 35 35 HIS CA C 35 55.122 59.208 -4.086 1
1 343 . 18 1 1 A 35 35 HIS CB C 35 28.756 30.316 -1.560 1
1 346 . 18 1 1 A 35 35 HIS N N 35 118.423 119.459 -1.036 1
1 347 . 18 1 1 A 36 36 ALA H H 36 7.630 7.522 0.108 1
1 348 . 18 1 1 A 36 36 ALA HA H 36 4.347 4.002 0.345 1
1 352 . 18 1 1 A 36 36 ALA C C 36 178.040 177.536 0.504 1
1 353 . 18 1 1 A 36 36 ALA CA C 36 53.136 53.491 -0.355 1
1 354 . 18 1 1 A 36 36 ALA CB C 36 19.243 19.162 0.081 1
1 355 . 18 1 1 A 36 36 ALA N N 36 123.035 120.940 2.095 1
1 356 . 18 1 1 A 37 37 GLY H H 37 8.237 8.394 -0.157 1
1 357 . 18 1 1 A 37 37 GLY HA2 H 37 3.966 4.320 -0.354 1
1 358 . 18 1 1 A 37 37 GLY HA3 H 37 3.966 4.324 -0.358 1
1 359 . 18 1 1 A 37 37 GLY C C 37 174.074 171.831 2.243 1
1 360 . 18 1 1 A 37 37 GLY CA C 37 45.231 46.294 -1.063 1
1 361 . 18 1 1 A 37 37 GLY N N 37 107.712 108.984 -1.272 1
1 362 . 18 1 1 A 38 38 GLU H H 38 8.092 8.672 -0.580 1
1 363 . 18 1 1 A 38 38 GLU HA H 38 4.283 5.112 -0.829 1
1 368 . 18 1 1 A 38 38 GLU C C 38 176.336 175.784 0.552 1
1 369 . 18 1 1 A 38 38 GLU CA C 38 56.392 54.419 1.973 1
1 370 . 18 1 1 A 38 38 GLU CB C 38 30.516 34.226 -3.710 1
1 372 . 18 1 1 A 38 38 GLU N N 38 120.352 118.872 1.480 1
1 373 . 18 1 1 A 39 39 LYS H H 39 8.396 8.613 -0.217 1
1 374 . 18 1 1 A 39 39 LYS HA H 39 4.623 4.514 0.109 1
1 383 . 18 1 1 A 39 39 LYS C C 39 174.472 176.494 -2.022 1
1 384 . 18 1 1 A 39 39 LYS CA C 39 54.053 54.395 -0.342 1
1 385 . 18 1 1 A 39 39 LYS CB C 39 32.429 31.804 0.625 1
1 389 . 18 1 1 A 39 39 LYS N N 39 123.622 120.747 2.875 1
1 390 . 18 1 1 A 40 40 PRO HA H 40 4.467 4.437 0.030 1
1 397 . 18 1 1 A 40 40 PRO CA C 40 63.263 64.046 -0.783 1
1 398 . 18 1 1 A 40 40 PRO CB C 40 32.140 31.541 0.599 1
1 401 . 18 1 1 A 42 42 GLY HA2 H 42 4.163 4.211 -0.048 1
1 402 . 18 1 1 A 42 42 GLY HA3 H 42 4.097 4.211 -0.114 1
1 403 . 18 1 1 A 42 42 GLY CA C 42 44.650 45.222 -0.572 1
1 404 . 18 1 1 A 43 43 PRO HA H 43 4.432 4.574 -0.142 1
1 411 . 18 1 1 A 43 43 PRO CA C 43 63.073 63.435 -0.362 1
1 412 . 18 1 1 A 43 43 PRO CB C 43 32.138 32.006 0.132 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.007 3.807 0.200 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.007 3.809 0.198 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.477 174.138 0.339 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.398 47.247 -1.849 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.136 8.255 -0.119 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.362 4.341 0.021 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.239 174.709 0.530 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.653 62.453 -0.800 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.822 69.382 0.440 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.770 119.171 -6.401 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.425 8.590 -0.165 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.967 4.201 -0.234 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.897 4.206 -0.309 1
1 19 . 19 1 1 A 9 9 GLY C C 9 173.998 173.883 0.115 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.295 45.807 -0.512 1
1 21 . 19 1 1 A 9 9 GLY N N 9 110.930 113.512 -2.582 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.184 8.109 0.075 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.190 4.359 -0.169 1
1 28 . 19 1 1 A 10 10 GLU C C 10 175.905 174.991 0.914 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.816 55.388 1.428 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.490 28.148 2.342 1
1 32 . 19 1 1 A 10 10 GLU N N 10 119.839 121.627 -1.788 1
1 33 . 19 1 1 A 11 11 ASN H H 11 8.336 7.537 0.799 1
1 34 . 19 1 1 A 11 11 ASN HA H 11 4.872 5.300 -0.428 1
1 39 . 19 1 1 A 11 11 ASN C C 11 172.608 173.727 -1.119 1
1 40 . 19 1 1 A 11 11 ASN CA C 11 51.221 50.224 0.997 1
1 41 . 19 1 1 A 11 11 ASN CB C 11 39.327 39.468 -0.141 1
1 42 . 19 1 1 A 11 11 ASN N N 11 119.052 121.253 -2.201 1
1 44 . 19 1 1 A 12 12 PRO HA H 12 4.264 4.350 -0.086 1
1 51 . 19 1 1 A 12 12 PRO C C 12 176.384 175.647 0.737 1
1 52 . 19 1 1 A 12 12 PRO CA C 12 63.452 63.989 -0.537 1
1 53 . 19 1 1 A 12 12 PRO CB C 12 32.238 31.444 0.794 1
1 56 . 19 1 1 A 13 13 TYR H H 13 7.915 7.041 0.874 1
1 57 . 19 1 1 A 13 13 TYR HA H 13 4.630 5.221 -0.591 1
1 64 . 19 1 1 A 13 13 TYR C C 13 174.410 174.586 -0.176 1
1 65 . 19 1 1 A 13 13 TYR CA C 13 57.169 56.733 0.436 1
1 66 . 19 1 1 A 13 13 TYR CB C 13 38.062 40.238 -2.176 1
1 71 . 19 1 1 A 13 13 TYR N N 13 118.491 119.095 -0.604 1
1 72 . 19 1 1 A 14 14 GLU H H 14 8.391 8.998 -0.607 1
1 73 . 19 1 1 A 14 14 GLU HA H 14 4.767 5.330 -0.563 1
1 78 . 19 1 1 A 14 14 GLU C C 14 174.879 175.694 -0.815 1
1 79 . 19 1 1 A 14 14 GLU CA C 14 55.103 54.560 0.543 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 32.827 33.018 -0.191 1
1 82 . 19 1 1 A 14 14 GLU N N 14 124.387 124.066 0.321 1
1 83 . 19 1 1 A 15 15 CYS H H 15 9.266 9.017 0.249 1
1 84 . 19 1 1 A 15 15 CYS HA H 15 4.543 4.443 0.100 1
1 87 . 19 1 1 A 15 15 CYS C C 15 177.019 176.708 0.311 1
1 88 . 19 1 1 A 15 15 CYS CA C 15 59.235 59.687 -0.452 1
1 89 . 19 1 1 A 15 15 CYS CB C 15 29.540 28.412 1.128 1
1 90 . 19 1 1 A 15 15 CYS N N 15 126.125 123.886 2.239 1
1 91 . 19 1 1 A 16 16 HIS HA H 16 4.581 4.611 -0.030 1
1 96 . 19 1 1 A 16 16 HIS C C 16 175.444 174.695 0.749 1
1 97 . 19 1 1 A 16 16 HIS CA C 16 58.116 56.688 1.428 1
1 98 . 19 1 1 A 16 16 HIS CB C 16 29.448 29.875 -0.427 1
1 101 . 19 1 1 A 16 16 HIS N N 16 120.818 125.087 -4.269 1
1 102 . 19 1 1 A 17 17 GLU H H 17 8.532 7.812 0.720 1
1 103 . 19 1 1 A 17 17 GLU HA H 17 4.154 4.369 -0.215 1
1 108 . 19 1 1 A 17 17 GLU C C 17 177.167 177.793 -0.626 1
1 109 . 19 1 1 A 17 17 GLU CA C 17 58.373 57.013 1.360 1
1 110 . 19 1 1 A 17 17 GLU CB C 17 29.496 31.230 -1.734 1
1 112 . 19 1 1 A 17 17 GLU N N 17 120.802 117.122 3.680 1
1 113 . 19 1 1 A 18 18 CYS H H 18 7.828 8.143 -0.315 1
1 114 . 19 1 1 A 18 18 CYS HA H 18 5.133 4.727 0.406 1
1 117 . 19 1 1 A 18 18 CYS C C 18 176.064 175.428 0.636 1
1 118 . 19 1 1 A 18 18 CYS CA C 18 58.259 59.737 -1.478 1
1 119 . 19 1 1 A 18 18 CYS CB C 18 32.515 29.944 2.571 1
1 120 . 19 1 1 A 18 18 CYS N N 18 114.288 114.626 -0.338 1
1 121 . 19 1 1 A 19 19 GLY H H 19 8.215 7.984 0.231 1
1 122 . 19 1 1 A 19 19 GLY HA2 H 19 3.863 4.073 -0.210 1
1 123 . 19 1 1 A 19 19 GLY HA3 H 19 4.207 4.080 0.127 1
1 124 . 19 1 1 A 19 19 GLY C C 19 173.989 174.562 -0.573 1
1 125 . 19 1 1 A 19 19 GLY CA C 19 46.144 45.023 1.121 1
1 126 . 19 1 1 A 19 19 GLY N N 19 113.636 109.842 3.794 1
1 127 . 19 1 1 A 20 20 LYS H H 20 7.895 7.451 0.444 1
1 128 . 19 1 1 A 20 20 LYS HA H 20 3.938 4.258 -0.320 1
1 137 . 19 1 1 A 20 20 LYS C C 20 173.489 175.426 -1.937 1
1 138 . 19 1 1 A 20 20 LYS CA C 20 57.884 55.829 2.055 1
1 139 . 19 1 1 A 20 20 LYS CB C 20 33.788 33.676 0.112 1
1 143 . 19 1 1 A 20 20 LYS N N 20 122.674 122.022 0.652 1
1 144 . 19 1 1 A 21 21 ALA H H 21 7.745 7.889 -0.144 1
1 145 . 19 1 1 A 21 21 ALA HA H 21 5.041 5.376 -0.335 1
1 149 . 19 1 1 A 21 21 ALA C C 21 176.127 174.844 1.283 1
1 150 . 19 1 1 A 21 21 ALA CA C 21 50.368 50.588 -0.220 1
1 151 . 19 1 1 A 21 21 ALA CB C 21 22.257 23.430 -1.173 1
1 152 . 19 1 1 A 21 21 ALA N N 21 123.181 123.911 -0.730 1
1 153 . 19 1 1 A 22 22 PHE H H 22 8.499 9.281 -0.782 1
1 154 . 19 1 1 A 22 22 PHE HA H 22 4.707 4.931 -0.224 1
1 162 . 19 1 1 A 22 22 PHE C C 22 175.514 175.433 0.081 1
1 163 . 19 1 1 A 22 22 PHE CA C 22 57.024 56.881 0.143 1
1 164 . 19 1 1 A 22 22 PHE CB C 22 43.573 43.091 0.482 1
1 170 . 19 1 1 A 22 22 PHE N N 22 117.063 117.336 -0.273 1
1 171 . 19 1 1 A 23 23 SER H H 23 8.920 8.524 0.396 1
1 172 . 19 1 1 A 23 23 SER HA H 23 4.679 4.508 0.171 1
1 175 . 19 1 1 A 23 23 SER C C 23 174.739 173.899 0.840 1
1 176 . 19 1 1 A 23 23 SER CA C 23 60.211 61.675 -1.464 1
1 177 . 19 1 1 A 23 23 SER CB C 23 64.285 63.600 0.685 1
1 178 . 19 1 1 A 23 23 SER N N 23 115.806 117.763 -1.957 1
1 179 . 19 1 1 A 24 24 ARG H H 24 7.566 8.003 -0.437 1
1 180 . 19 1 1 A 24 24 ARG HA H 24 4.797 4.703 0.094 1
1 187 . 19 1 1 A 24 24 ARG C C 24 176.488 176.464 0.024 1
1 188 . 19 1 1 A 24 24 ARG CA C 24 53.323 54.283 -0.960 1
1 189 . 19 1 1 A 24 24 ARG CB C 24 33.751 32.039 1.712 1
1 192 . 19 1 1 A 24 24 ARG N N 24 117.138 118.740 -1.602 1
1 193 . 19 1 1 A 25 25 LYS H H 25 8.511 8.421 0.090 1
1 194 . 19 1 1 A 25 25 LYS HA H 25 2.879 2.847 0.032 1
1 203 . 19 1 1 A 25 25 LYS C C 25 178.784 177.311 1.473 1
1 204 . 19 1 1 A 25 25 LYS CA C 25 59.821 58.469 1.352 1
1 205 . 19 1 1 A 25 25 LYS CB C 25 31.540 31.941 -0.401 1
1 209 . 19 1 1 A 25 25 LYS N N 25 116.581 123.232 -6.651 1
1 210 . 19 1 1 A 26 26 TYR H H 26 8.189 8.251 -0.062 1
1 211 . 19 1 1 A 26 26 TYR HA H 26 4.155 4.078 0.077 1
1 218 . 19 1 1 A 26 26 TYR C C 26 177.714 178.301 -0.587 1
1 219 . 19 1 1 A 26 26 TYR CA C 26 60.191 60.822 -0.631 1
1 220 . 19 1 1 A 26 26 TYR CB C 26 36.264 37.178 -0.914 1
1 225 . 19 1 1 A 26 26 TYR N N 26 114.321 118.570 -4.249 1
1 226 . 19 1 1 A 27 27 GLN H H 27 6.421 7.322 -0.901 1
1 227 . 19 1 1 A 27 27 GLN HA H 27 3.781 3.222 0.559 1
1 234 . 19 1 1 A 27 27 GLN C C 27 178.492 177.317 1.175 1
1 235 . 19 1 1 A 27 27 GLN CA C 27 57.318 57.995 -0.677 1
1 236 . 19 1 1 A 27 27 GLN CB C 27 28.324 28.061 0.263 1
1 238 . 19 1 1 A 27 27 GLN N N 27 119.701 120.767 -1.066 1
1 240 . 19 1 1 A 28 28 LEU H H 28 6.727 7.381 -0.654 1
1 241 . 19 1 1 A 28 28 LEU HA H 28 3.340 1.864 1.476 1
1 251 . 19 1 1 A 28 28 LEU C C 28 177.564 177.934 -0.370 1
1 252 . 19 1 1 A 28 28 LEU CA C 28 57.865 56.228 1.637 1
1 253 . 19 1 1 A 28 28 LEU CB C 28 40.440 42.046 -1.606 1
1 257 . 19 1 1 A 28 28 LEU N N 28 121.434 120.620 0.814 1
1 258 . 19 1 1 A 29 29 ILE H H 29 7.970 7.459 0.511 1
1 259 . 19 1 1 A 29 29 ILE HA H 29 3.741 3.413 0.328 1
1 269 . 19 1 1 A 29 29 ILE C C 29 179.163 177.692 1.471 1
1 270 . 19 1 1 A 29 29 ILE CA C 29 64.518 65.156 -0.638 1
1 271 . 19 1 1 A 29 29 ILE CB C 29 37.255 37.490 -0.235 1
1 275 . 19 1 1 A 29 29 ILE N N 29 119.312 120.233 -0.921 1
1 276 . 19 1 1 A 30 30 SER H H 30 7.665 7.917 -0.252 1
1 277 . 19 1 1 A 30 30 SER HA H 30 4.091 4.065 0.026 1
1 280 . 19 1 1 A 30 30 SER C C 30 177.361 176.847 0.514 1
1 281 . 19 1 1 A 30 30 SER CA C 30 61.460 60.816 0.644 1
1 282 . 19 1 1 A 30 30 SER CB C 30 62.526 63.084 -0.558 1
1 283 . 19 1 1 A 30 30 SER N N 30 113.605 115.112 -1.507 1
1 284 . 19 1 1 A 31 31 HIS H H 31 7.600 7.417 0.183 1
1 285 . 19 1 1 A 31 31 HIS HA H 31 4.237 4.319 -0.082 1
1 290 . 19 1 1 A 31 31 HIS C C 31 177.843 177.225 0.618 1
1 291 . 19 1 1 A 31 31 HIS CA C 31 59.125 59.338 -0.213 1
1 292 . 19 1 1 A 31 31 HIS CB C 31 28.478 29.846 -1.368 1
1 295 . 19 1 1 A 31 31 HIS N N 31 120.473 120.649 -0.176 1
1 296 . 19 1 1 A 32 32 GLN H H 32 8.815 8.177 0.638 1
1 297 . 19 1 1 A 32 32 GLN HA H 32 3.691 3.922 -0.231 1
1 304 . 19 1 1 A 32 32 GLN C C 32 178.072 178.494 -0.422 1
1 305 . 19 1 1 A 32 32 GLN CA C 32 59.764 59.018 0.746 1
1 306 . 19 1 1 A 32 32 GLN CB C 32 27.967 28.246 -0.279 1
1 308 . 19 1 1 A 32 32 GLN N N 32 120.188 117.647 2.541 1
1 310 . 19 1 1 A 33 33 ARG H H 33 7.307 7.783 -0.476 1
1 311 . 19 1 1 A 33 33 ARG HA H 33 4.124 4.038 0.086 1
1 318 . 19 1 1 A 33 33 ARG C C 33 178.441 178.855 -0.414 1
1 319 . 19 1 1 A 33 33 ARG CA C 33 58.665 59.277 -0.612 1
1 320 . 19 1 1 A 33 33 ARG CB C 33 29.859 29.837 0.022 1
1 323 . 19 1 1 A 33 33 ARG N N 33 118.223 120.324 -2.101 1
1 324 . 19 1 1 A 34 34 THR H H 34 7.731 8.239 -0.508 1
1 325 . 19 1 1 A 34 34 THR HA H 34 4.123 3.901 0.222 1
1 330 . 19 1 1 A 34 34 THR C C 34 175.609 177.165 -1.556 1
1 331 . 19 1 1 A 34 34 THR CA C 34 63.859 65.629 -1.770 1
1 332 . 19 1 1 A 34 34 THR CB C 34 69.118 67.829 1.289 1
1 334 . 19 1 1 A 34 34 THR N N 34 109.975 112.954 -2.979 1
1 335 . 19 1 1 A 35 35 HIS H H 35 7.062 7.967 -0.905 1
1 336 . 19 1 1 A 35 35 HIS HA H 35 4.799 4.273 0.526 1
1 341 . 19 1 1 A 35 35 HIS C C 35 175.092 177.733 -2.641 1
1 342 . 19 1 1 A 35 35 HIS CA C 35 55.122 59.919 -4.797 1
1 343 . 19 1 1 A 35 35 HIS CB C 35 28.756 29.712 -0.956 1
1 346 . 19 1 1 A 35 35 HIS N N 35 118.423 119.665 -1.242 1
1 347 . 19 1 1 A 36 36 ALA H H 36 7.630 7.809 -0.179 1
1 348 . 19 1 1 A 36 36 ALA HA H 36 4.347 3.989 0.358 1
1 352 . 19 1 1 A 36 36 ALA C C 36 178.040 178.314 -0.274 1
1 353 . 19 1 1 A 36 36 ALA CA C 36 53.136 54.778 -1.642 1
1 354 . 19 1 1 A 36 36 ALA CB C 36 19.243 18.826 0.417 1
1 355 . 19 1 1 A 36 36 ALA N N 36 123.035 121.324 1.711 1
1 356 . 19 1 1 A 37 37 GLY H H 37 8.237 7.761 0.476 1
1 357 . 19 1 1 A 37 37 GLY HA2 H 37 3.966 3.982 -0.016 1
1 358 . 19 1 1 A 37 37 GLY HA3 H 37 3.966 3.997 -0.031 1
1 359 . 19 1 1 A 37 37 GLY C C 37 174.074 174.139 -0.065 1
1 360 . 19 1 1 A 37 37 GLY CA C 37 45.231 44.942 0.289 1
1 361 . 19 1 1 A 37 37 GLY N N 37 107.712 104.740 2.972 1
1 362 . 19 1 1 A 38 38 GLU H H 38 8.092 8.765 -0.673 1
1 363 . 19 1 1 A 38 38 GLU HA H 38 4.283 4.591 -0.308 1
1 368 . 19 1 1 A 38 38 GLU C C 38 176.336 174.890 1.446 1
1 369 . 19 1 1 A 38 38 GLU CA C 38 56.392 55.786 0.606 1
1 370 . 19 1 1 A 38 38 GLU CB C 38 30.516 30.136 0.380 1
1 372 . 19 1 1 A 38 38 GLU N N 38 120.352 119.156 1.196 1
1 373 . 19 1 1 A 39 39 LYS H H 39 8.396 7.473 0.923 1
1 374 . 19 1 1 A 39 39 LYS HA H 39 4.623 4.868 -0.245 1
1 383 . 19 1 1 A 39 39 LYS C C 39 174.472 174.499 -0.027 1
1 384 . 19 1 1 A 39 39 LYS CA C 39 54.053 52.819 1.234 1
1 385 . 19 1 1 A 39 39 LYS CB C 39 32.429 35.516 -3.087 1
1 389 . 19 1 1 A 39 39 LYS N N 39 123.622 121.310 2.312 1
1 390 . 19 1 1 A 40 40 PRO HA H 40 4.467 4.340 0.127 1
1 397 . 19 1 1 A 40 40 PRO CA C 40 63.263 63.361 -0.098 1
1 398 . 19 1 1 A 40 40 PRO CB C 40 32.140 32.257 -0.117 1
1 401 . 19 1 1 A 42 42 GLY HA2 H 42 4.163 4.270 -0.107 1
1 402 . 19 1 1 A 42 42 GLY HA3 H 42 4.097 4.272 -0.175 1
1 403 . 19 1 1 A 42 42 GLY CA C 42 44.650 46.066 -1.416 1
1 404 . 19 1 1 A 43 43 PRO HA H 43 4.432 4.366 0.066 1
1 411 . 19 1 1 A 43 43 PRO CA C 43 63.073 64.972 -1.899 1
1 412 . 19 1 1 A 43 43 PRO CB C 43 32.138 32.115 0.023 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.007 4.015 -0.008 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.007 4.016 -0.009 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.477 172.101 2.376 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.398 45.407 -0.009 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.136 8.447 -0.311 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.362 4.756 -0.394 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.239 174.145 1.094 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.653 59.436 2.217 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.822 71.107 -1.285 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.770 116.275 -3.505 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.425 8.486 -0.061 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.967 4.075 -0.108 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.897 4.080 -0.183 1
1 19 . 20 1 1 A 9 9 GLY C C 9 173.998 173.016 0.982 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.295 44.166 1.129 1
1 21 . 20 1 1 A 9 9 GLY N N 9 110.930 117.147 -6.217 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.184 8.356 -0.172 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.190 4.937 -0.747 1
1 28 . 20 1 1 A 10 10 GLU C C 10 175.905 175.217 0.688 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.816 55.439 1.377 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.490 30.680 -0.190 1
1 32 . 20 1 1 A 10 10 GLU N N 10 119.839 119.987 -0.148 1
1 33 . 20 1 1 A 11 11 ASN H H 11 8.336 8.589 -0.253 1
1 34 . 20 1 1 A 11 11 ASN HA H 11 4.872 5.444 -0.572 1
1 39 . 20 1 1 A 11 11 ASN C C 11 172.608 173.808 -1.200 1
1 40 . 20 1 1 A 11 11 ASN CA C 11 51.221 50.320 0.901 1
1 41 . 20 1 1 A 11 11 ASN CB C 11 39.327 39.623 -0.296 1
1 42 . 20 1 1 A 11 11 ASN N N 11 119.052 124.124 -5.072 1
1 44 . 20 1 1 A 12 12 PRO HA H 12 4.264 4.412 -0.148 1
1 51 . 20 1 1 A 12 12 PRO C C 12 176.384 175.656 0.728 1
1 52 . 20 1 1 A 12 12 PRO CA C 12 63.452 63.993 -0.541 1
1 53 . 20 1 1 A 12 12 PRO CB C 12 32.238 31.445 0.793 1
1 56 . 20 1 1 A 13 13 TYR H H 13 7.915 7.023 0.892 1
1 57 . 20 1 1 A 13 13 TYR HA H 13 4.630 5.178 -0.548 1
1 64 . 20 1 1 A 13 13 TYR C C 13 174.410 174.541 -0.131 1
1 65 . 20 1 1 A 13 13 TYR CA C 13 57.169 56.611 0.558 1
1 66 . 20 1 1 A 13 13 TYR CB C 13 38.062 40.040 -1.978 1
1 71 . 20 1 1 A 13 13 TYR N N 13 118.491 118.972 -0.481 1
1 72 . 20 1 1 A 14 14 GLU H H 14 8.391 9.016 -0.625 1
1 73 . 20 1 1 A 14 14 GLU HA H 14 4.767 5.366 -0.599 1
1 78 . 20 1 1 A 14 14 GLU C C 14 174.879 175.518 -0.639 1
1 79 . 20 1 1 A 14 14 GLU CA C 14 55.103 54.812 0.291 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 32.827 33.030 -0.203 1
1 82 . 20 1 1 A 14 14 GLU N N 14 124.387 124.289 0.098 1
1 83 . 20 1 1 A 15 15 CYS H H 15 9.266 9.161 0.105 1
1 84 . 20 1 1 A 15 15 CYS HA H 15 4.543 4.454 0.089 1
1 87 . 20 1 1 A 15 15 CYS C C 15 177.019 175.963 1.056 1
1 88 . 20 1 1 A 15 15 CYS CA C 15 59.235 58.703 0.532 1
1 89 . 20 1 1 A 15 15 CYS CB C 15 29.540 28.116 1.424 1
1 90 . 20 1 1 A 15 15 CYS N N 15 126.125 122.995 3.130 1
1 91 . 20 1 1 A 16 16 HIS HA H 16 4.581 4.507 0.074 1
1 96 . 20 1 1 A 16 16 HIS C C 16 175.444 176.414 -0.970 1
1 97 . 20 1 1 A 16 16 HIS CA C 16 58.116 58.099 0.017 1
1 98 . 20 1 1 A 16 16 HIS CB C 16 29.448 28.885 0.563 1
1 101 . 20 1 1 A 16 16 HIS N N 16 120.818 125.604 -4.786 1
1 102 . 20 1 1 A 17 17 GLU H H 17 8.532 8.110 0.422 1
1 103 . 20 1 1 A 17 17 GLU HA H 17 4.154 4.055 0.099 1
1 108 . 20 1 1 A 17 17 GLU C C 17 177.167 177.909 -0.742 1
1 109 . 20 1 1 A 17 17 GLU CA C 17 58.373 58.600 -0.227 1
1 110 . 20 1 1 A 17 17 GLU CB C 17 29.496 29.899 -0.403 1
1 112 . 20 1 1 A 17 17 GLU N N 17 120.802 120.483 0.319 1
1 113 . 20 1 1 A 18 18 CYS H H 18 7.828 8.019 -0.191 1
1 114 . 20 1 1 A 18 18 CYS HA H 18 5.133 4.734 0.399 1
1 117 . 20 1 1 A 18 18 CYS C C 18 176.064 175.546 0.518 1
1 118 . 20 1 1 A 18 18 CYS CA C 18 58.259 59.714 -1.455 1
1 119 . 20 1 1 A 18 18 CYS CB C 18 32.515 29.971 2.544 1
1 120 . 20 1 1 A 18 18 CYS N N 18 114.288 115.065 -0.777 1
1 121 . 20 1 1 A 19 19 GLY H H 19 8.215 7.860 0.355 1
1 122 . 20 1 1 A 19 19 GLY HA2 H 19 3.863 4.084 -0.221 1
1 123 . 20 1 1 A 19 19 GLY HA3 H 19 4.207 4.094 0.113 1
1 124 . 20 1 1 A 19 19 GLY C C 19 173.989 174.567 -0.578 1
1 125 . 20 1 1 A 19 19 GLY CA C 19 46.144 45.035 1.109 1
1 126 . 20 1 1 A 19 19 GLY N N 19 113.636 109.849 3.787 1
1 127 . 20 1 1 A 20 20 LYS H H 20 7.895 7.478 0.417 1
1 128 . 20 1 1 A 20 20 LYS HA H 20 3.938 4.249 -0.311 1
1 137 . 20 1 1 A 20 20 LYS C C 20 173.489 175.454 -1.965 1
1 138 . 20 1 1 A 20 20 LYS CA C 20 57.884 55.882 2.002 1
1 139 . 20 1 1 A 20 20 LYS CB C 20 33.788 33.615 0.173 1
1 143 . 20 1 1 A 20 20 LYS N N 20 122.674 122.169 0.505 1
1 144 . 20 1 1 A 21 21 ALA H H 21 7.745 7.931 -0.186 1
1 145 . 20 1 1 A 21 21 ALA HA H 21 5.041 5.267 -0.226 1
1 149 . 20 1 1 A 21 21 ALA C C 21 176.127 174.929 1.198 1
1 150 . 20 1 1 A 21 21 ALA CA C 21 50.368 50.530 -0.162 1
1 151 . 20 1 1 A 21 21 ALA CB C 21 22.257 23.171 -0.914 1
1 152 . 20 1 1 A 21 21 ALA N N 21 123.181 124.398 -1.217 1
1 153 . 20 1 1 A 22 22 PHE H H 22 8.499 9.260 -0.761 1
1 154 . 20 1 1 A 22 22 PHE HA H 22 4.707 4.955 -0.248 1
1 162 . 20 1 1 A 22 22 PHE C C 22 175.514 175.562 -0.048 1
1 163 . 20 1 1 A 22 22 PHE CA C 22 57.024 56.904 0.120 1
1 164 . 20 1 1 A 22 22 PHE CB C 22 43.573 43.459 0.114 1
1 170 . 20 1 1 A 22 22 PHE N N 22 117.063 117.811 -0.748 1
1 171 . 20 1 1 A 23 23 SER H H 23 8.920 8.821 0.099 1
1 172 . 20 1 1 A 23 23 SER HA H 23 4.679 4.576 0.103 1
1 175 . 20 1 1 A 23 23 SER C C 23 174.739 173.761 0.978 1
1 176 . 20 1 1 A 23 23 SER CA C 23 60.211 61.504 -1.293 1
1 177 . 20 1 1 A 23 23 SER CB C 23 64.285 63.405 0.880 1
1 178 . 20 1 1 A 23 23 SER N N 23 115.806 117.128 -1.322 1
1 179 . 20 1 1 A 24 24 ARG H H 24 7.566 7.960 -0.394 1
1 180 . 20 1 1 A 24 24 ARG HA H 24 4.797 4.691 0.106 1
1 187 . 20 1 1 A 24 24 ARG C C 24 176.488 176.621 -0.133 1
1 188 . 20 1 1 A 24 24 ARG CA C 24 53.323 54.240 -0.917 1
1 189 . 20 1 1 A 24 24 ARG CB C 24 33.751 31.928 1.823 1
1 192 . 20 1 1 A 24 24 ARG N N 24 117.138 118.897 -1.759 1
1 193 . 20 1 1 A 25 25 LYS H H 25 8.511 8.406 0.105 1
1 194 . 20 1 1 A 25 25 LYS HA H 25 2.879 2.770 0.109 1
1 203 . 20 1 1 A 25 25 LYS C C 25 178.784 177.305 1.479 1
1 204 . 20 1 1 A 25 25 LYS CA C 25 59.821 58.375 1.446 1
1 205 . 20 1 1 A 25 25 LYS CB C 25 31.540 31.971 -0.431 1
1 209 . 20 1 1 A 25 25 LYS N N 25 116.581 123.168 -6.587 1
1 210 . 20 1 1 A 26 26 TYR H H 26 8.189 7.942 0.247 1
1 211 . 20 1 1 A 26 26 TYR HA H 26 4.155 4.085 0.070 1
1 218 . 20 1 1 A 26 26 TYR C C 26 177.714 178.197 -0.483 1
1 219 . 20 1 1 A 26 26 TYR CA C 26 60.191 60.760 -0.569 1
1 220 . 20 1 1 A 26 26 TYR CB C 26 36.264 37.119 -0.855 1
1 225 . 20 1 1 A 26 26 TYR N N 26 114.321 118.531 -4.210 1
1 226 . 20 1 1 A 27 27 GLN H H 27 6.421 7.483 -1.062 1
1 227 . 20 1 1 A 27 27 GLN HA H 27 3.781 3.171 0.610 1
1 234 . 20 1 1 A 27 27 GLN C C 27 178.492 177.025 1.467 1
1 235 . 20 1 1 A 27 27 GLN CA C 27 57.318 58.077 -0.759 1
1 236 . 20 1 1 A 27 27 GLN CB C 27 28.324 28.089 0.235 1
1 238 . 20 1 1 A 27 27 GLN N N 27 119.701 120.854 -1.153 1
1 240 . 20 1 1 A 28 28 LEU H H 28 6.727 7.271 -0.544 1
1 241 . 20 1 1 A 28 28 LEU HA H 28 3.340 1.877 1.463 1
1 251 . 20 1 1 A 28 28 LEU C C 28 177.564 177.864 -0.300 1
1 252 . 20 1 1 A 28 28 LEU CA C 28 57.865 56.314 1.551 1
1 253 . 20 1 1 A 28 28 LEU CB C 28 40.440 41.974 -1.534 1
1 257 . 20 1 1 A 28 28 LEU N N 28 121.434 120.462 0.972 1
1 258 . 20 1 1 A 29 29 ILE H H 29 7.970 7.529 0.441 1
1 259 . 20 1 1 A 29 29 ILE HA H 29 3.741 3.416 0.325 1
1 269 . 20 1 1 A 29 29 ILE C C 29 179.163 177.801 1.362 1
1 270 . 20 1 1 A 29 29 ILE CA C 29 64.518 65.328 -0.810 1
1 271 . 20 1 1 A 29 29 ILE CB C 29 37.255 37.482 -0.227 1
1 275 . 20 1 1 A 29 29 ILE N N 29 119.312 120.352 -1.040 1
1 276 . 20 1 1 A 30 30 SER H H 30 7.665 7.965 -0.300 1
1 277 . 20 1 1 A 30 30 SER HA H 30 4.091 4.042 0.049 1
1 280 . 20 1 1 A 30 30 SER C C 30 177.361 176.945 0.416 1
1 281 . 20 1 1 A 30 30 SER CA C 30 61.460 60.942 0.518 1
1 282 . 20 1 1 A 30 30 SER CB C 30 62.526 63.062 -0.536 1
1 283 . 20 1 1 A 30 30 SER N N 30 113.605 115.093 -1.488 1
1 284 . 20 1 1 A 31 31 HIS H H 31 7.600 7.397 0.203 1
1 285 . 20 1 1 A 31 31 HIS HA H 31 4.237 4.278 -0.041 1
1 290 . 20 1 1 A 31 31 HIS C C 31 177.843 177.252 0.591 1
1 291 . 20 1 1 A 31 31 HIS CA C 31 59.125 59.389 -0.264 1
1 292 . 20 1 1 A 31 31 HIS CB C 31 28.478 29.891 -1.413 1
1 295 . 20 1 1 A 31 31 HIS N N 31 120.473 120.531 -0.058 1
1 296 . 20 1 1 A 32 32 GLN H H 32 8.815 8.140 0.675 1
1 297 . 20 1 1 A 32 32 GLN HA H 32 3.691 3.942 -0.251 1
1 304 . 20 1 1 A 32 32 GLN C C 32 178.072 178.674 -0.602 1
1 305 . 20 1 1 A 32 32 GLN CA C 32 59.764 59.041 0.723 1
1 306 . 20 1 1 A 32 32 GLN CB C 32 27.967 28.291 -0.324 1
1 308 . 20 1 1 A 32 32 GLN N N 32 120.188 117.831 2.357 1
1 310 . 20 1 1 A 33 33 ARG H H 33 7.307 7.760 -0.453 1
1 311 . 20 1 1 A 33 33 ARG HA H 33 4.124 4.061 0.063 1
1 318 . 20 1 1 A 33 33 ARG C C 33 178.441 178.885 -0.444 1
1 319 . 20 1 1 A 33 33 ARG CA C 33 58.665 59.358 -0.693 1
1 320 . 20 1 1 A 33 33 ARG CB C 33 29.859 29.832 0.027 1
1 323 . 20 1 1 A 33 33 ARG N N 33 118.223 120.215 -1.992 1
1 324 . 20 1 1 A 34 34 THR H H 34 7.731 8.166 -0.435 1
1 325 . 20 1 1 A 34 34 THR HA H 34 4.123 3.951 0.172 1
1 330 . 20 1 1 A 34 34 THR C C 34 175.609 177.109 -1.500 1
1 331 . 20 1 1 A 34 34 THR CA C 34 63.859 65.484 -1.625 1
1 332 . 20 1 1 A 34 34 THR CB C 34 69.118 67.900 1.218 1
1 334 . 20 1 1 A 34 34 THR N N 34 109.975 113.143 -3.168 1
1 335 . 20 1 1 A 35 35 HIS H H 35 7.062 7.752 -0.690 1
1 336 . 20 1 1 A 35 35 HIS HA H 35 4.799 4.291 0.508 1
1 341 . 20 1 1 A 35 35 HIS C C 35 175.092 176.255 -1.163 1
1 342 . 20 1 1 A 35 35 HIS CA C 35 55.122 59.394 -4.272 1
1 343 . 20 1 1 A 35 35 HIS CB C 35 28.756 30.442 -1.686 1
1 346 . 20 1 1 A 35 35 HIS N N 35 118.423 119.260 -0.837 1
1 347 . 20 1 1 A 36 36 ALA H H 36 7.630 7.722 -0.092 1
1 348 . 20 1 1 A 36 36 ALA HA H 36 4.347 3.936 0.411 1
1 352 . 20 1 1 A 36 36 ALA C C 36 178.040 178.333 -0.293 1
1 353 . 20 1 1 A 36 36 ALA CA C 36 53.136 53.750 -0.614 1
1 354 . 20 1 1 A 36 36 ALA CB C 36 19.243 19.282 -0.039 1
1 355 . 20 1 1 A 36 36 ALA N N 36 123.035 121.257 1.778 1
1 356 . 20 1 1 A 37 37 GLY H H 37 8.237 8.878 -0.641 1
1 357 . 20 1 1 A 37 37 GLY HA2 H 37 3.966 3.988 -0.022 1
1 358 . 20 1 1 A 37 37 GLY HA3 H 37 3.966 3.990 -0.024 1
1 359 . 20 1 1 A 37 37 GLY C C 37 174.074 174.435 -0.361 1
1 360 . 20 1 1 A 37 37 GLY CA C 37 45.231 45.227 0.004 1
1 361 . 20 1 1 A 37 37 GLY N N 37 107.712 110.860 -3.148 1
1 362 . 20 1 1 A 38 38 GLU H H 38 8.092 7.567 0.525 1
1 363 . 20 1 1 A 38 38 GLU HA H 38 4.283 4.322 -0.039 1
1 368 . 20 1 1 A 38 38 GLU C C 38 176.336 176.189 0.147 1
1 369 . 20 1 1 A 38 38 GLU CA C 38 56.392 55.963 0.429 1
1 370 . 20 1 1 A 38 38 GLU CB C 38 30.516 29.597 0.919 1
1 372 . 20 1 1 A 38 38 GLU N N 38 120.352 121.143 -0.791 1
1 373 . 20 1 1 A 39 39 LYS H H 39 8.396 8.462 -0.066 1
1 374 . 20 1 1 A 39 39 LYS HA H 39 4.623 4.251 0.372 1
1 383 . 20 1 1 A 39 39 LYS C C 39 174.472 176.933 -2.461 1
1 384 . 20 1 1 A 39 39 LYS CA C 39 54.053 54.724 -0.671 1
1 385 . 20 1 1 A 39 39 LYS CB C 39 32.429 33.407 -0.978 1
1 389 . 20 1 1 A 39 39 LYS N N 39 123.622 126.311 -2.689 1
1 390 . 20 1 1 A 40 40 PRO HA H 40 4.467 4.332 0.135 1
1 397 . 20 1 1 A 40 40 PRO CA C 40 63.263 65.022 -1.759 1
1 398 . 20 1 1 A 40 40 PRO CB C 40 32.140 31.920 0.220 1
1 401 . 20 1 1 A 42 42 GLY HA2 H 42 4.163 4.086 0.077 1
1 402 . 20 1 1 A 42 42 GLY HA3 H 42 4.097 4.088 0.009 1
1 403 . 20 1 1 A 42 42 GLY CA C 42 44.650 44.892 -0.242 1
1 404 . 20 1 1 A 43 43 PRO HA H 43 4.432 4.564 -0.132 1
1 411 . 20 1 1 A 43 43 PRO CA C 43 63.073 62.546 0.527 1
1 412 . 20 1 1 A 43 43 PRO CB C 43 32.138 32.424 -0.286 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 33 0.966 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.223 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.096 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.441 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.388 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.618 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.950 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.231 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.087 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.492 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.390 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.488 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.967 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.197 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.242 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.488 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.364 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.564 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.100 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.271 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.276 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.459 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.370 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.363 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.047 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.161 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.377 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.489 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.389 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.375 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.014 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.063 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.227 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.463 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.379 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.623 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.076 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.189 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.172 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.512 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.368 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.425 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.859 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.245 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.223 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.490 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.371 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.569 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.900 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.296 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.282 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.473 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.391 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.938 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.092 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.106 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.107 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.484 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.365 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.560 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.041 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.262 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.088 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.461 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.390 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.609 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.099 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.190 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.156 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.473 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.378 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.399 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.077 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.309 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.344 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.540 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.378 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.646 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.946 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.155 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.074 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.480 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.355 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.511 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.888 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.241 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.089 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.490 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.365 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.476 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.991 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.132 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.376 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.499 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.359 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.490 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.120 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.354 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.473 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.480 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.391 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.544 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.087 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.270 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.304 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.519 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.383 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.894 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.974 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.380 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.233 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.545 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.355 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.720 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.085 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.225 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.038 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.475 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.374 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.827 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 7 7 GLY HA2 H 7 4.007 4.069 -0.062 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.007 4.072 -0.065 2
1 3 . 1 1 A 7 7 GLY C C 7 174.477 173.325 1.152 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.398 45.434 -0.036 2
1 5 . 1 1 A 8 8 THR H H 8 8.136 8.387 -0.251 2
1 6 . 1 1 A 8 8 THR HA H 8 4.362 4.698 -0.336 2
1 11 . 1 1 A 8 8 THR C C 8 175.239 174.140 1.099 2
1 12 . 1 1 A 8 8 THR CA C 8 61.653 61.336 0.317 2
1 13 . 1 1 A 8 8 THR CB C 8 69.822 70.154 -0.332 2
1 15 . 1 1 A 8 8 THR N N 8 112.770 115.959 -3.189 2
1 16 . 1 1 A 9 9 GLY H H 9 8.425 8.322 0.103 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.967 4.099 -0.132 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.897 4.104 -0.207 2
1 19 . 1 1 A 9 9 GLY C C 9 173.998 173.562 0.436 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.295 45.036 0.259 2
1 21 . 1 1 A 9 9 GLY N N 9 110.930 111.907 -0.977 2
1 22 . 1 1 A 10 10 GLU H H 10 8.184 8.415 -0.231 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.190 4.460 -0.270 2
1 28 . 1 1 A 10 10 GLU C C 10 175.905 175.521 0.384 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.816 56.047 0.769 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.490 29.575 0.915 2
1 32 . 1 1 A 10 10 GLU N N 10 119.839 120.570 -0.731 2
1 33 . 1 1 A 11 11 ASN H H 11 8.336 8.038 0.298 2
1 34 . 1 1 A 11 11 ASN HA H 11 4.872 5.279 -0.407 2
1 39 . 1 1 A 11 11 ASN C C 11 172.608 174.208 -1.600 2
1 40 . 1 1 A 11 11 ASN CA C 11 51.221 50.477 0.744 2
1 41 . 1 1 A 11 11 ASN CB C 11 39.327 39.232 0.095 2
1 42 . 1 1 A 11 11 ASN N N 11 119.052 120.835 -1.782 2
1 44 . 1 1 A 12 12 PRO HA H 12 4.264 4.391 -0.127 2
1 51 . 1 1 A 12 12 PRO C C 12 176.384 175.652 0.732 2
1 52 . 1 1 A 12 12 PRO CA C 12 63.452 64.030 -0.578 2
1 53 . 1 1 A 12 12 PRO CB C 12 32.238 31.406 0.832 2
1 56 . 1 1 A 13 13 TYR H H 13 7.915 7.068 0.847 2
1 57 . 1 1 A 13 13 TYR HA H 13 4.630 5.157 -0.527 2
1 64 . 1 1 A 13 13 TYR C C 13 174.410 174.553 -0.143 2
1 65 . 1 1 A 13 13 TYR CA C 13 57.169 56.636 0.533 2
1 66 . 1 1 A 13 13 TYR CB C 13 38.062 39.977 -1.915 2
1 71 . 1 1 A 13 13 TYR N N 13 118.491 119.006 -0.515 2
1 72 . 1 1 A 14 14 GLU H H 14 8.391 9.022 -0.631 2
1 73 . 1 1 A 14 14 GLU HA H 14 4.767 5.391 -0.624 2
1 78 . 1 1 A 14 14 GLU C C 14 174.879 175.673 -0.794 2
1 79 . 1 1 A 14 14 GLU CA C 14 55.103 54.657 0.446 2
1 80 . 1 1 A 14 14 GLU CB C 14 32.827 33.008 -0.181 2
1 82 . 1 1 A 14 14 GLU N N 14 124.387 124.249 0.138 2
1 83 . 1 1 A 15 15 CYS H H 15 9.266 9.131 0.135 2
1 84 . 1 1 A 15 15 CYS HA H 15 4.543 4.536 0.007 2
1 87 . 1 1 A 15 15 CYS C C 15 177.019 176.473 0.546 2
1 88 . 1 1 A 15 15 CYS CA C 15 59.235 59.346 -0.111 2
1 89 . 1 1 A 15 15 CYS CB C 15 29.540 28.233 1.307 2
1 90 . 1 1 A 15 15 CYS N N 15 126.125 123.646 2.479 2
1 91 . 1 1 A 16 16 HIS HA H 16 4.581 4.564 0.017 2
1 96 . 1 1 A 16 16 HIS C C 16 175.444 175.390 0.054 2
1 97 . 1 1 A 16 16 HIS CA C 16 58.116 57.240 0.876 2
1 98 . 1 1 A 16 16 HIS CB C 16 29.448 29.448 -0.000 2
1 101 . 1 1 A 16 16 HIS N N 16 120.818 125.121 -4.303 2
1 102 . 1 1 A 17 17 GLU H H 17 8.532 7.979 0.553 2
1 103 . 1 1 A 17 17 GLU HA H 17 4.154 4.194 -0.040 2
1 108 . 1 1 A 17 17 GLU C C 17 177.167 177.820 -0.653 2
1 109 . 1 1 A 17 17 GLU CA C 17 58.373 57.667 0.706 2
1 110 . 1 1 A 17 17 GLU CB C 17 29.496 30.715 -1.219 2
1 112 . 1 1 A 17 17 GLU N N 17 120.802 118.607 2.195 2
1 113 . 1 1 A 18 18 CYS H H 18 7.828 8.116 -0.288 2
1 114 . 1 1 A 18 18 CYS HA H 18 5.133 4.702 0.431 2
1 117 . 1 1 A 18 18 CYS C C 18 176.064 175.422 0.642 2
1 118 . 1 1 A 18 18 CYS CA C 18 58.259 59.735 -1.476 2
1 119 . 1 1 A 18 18 CYS CB C 18 32.515 29.933 2.582 2
1 120 . 1 1 A 18 18 CYS N N 18 114.288 114.834 -0.546 2
1 121 . 1 1 A 19 19 GLY H H 19 8.215 7.929 0.286 2
1 122 . 1 1 A 19 19 GLY HA2 H 19 3.863 4.083 -0.220 2
1 123 . 1 1 A 19 19 GLY HA3 H 19 4.207 4.096 0.111 2
1 124 . 1 1 A 19 19 GLY C C 19 173.989 174.577 -0.588 2
1 125 . 1 1 A 19 19 GLY CA C 19 46.144 45.052 1.092 2
1 126 . 1 1 A 19 19 GLY N N 19 113.636 109.897 3.739 2
1 127 . 1 1 A 20 20 LYS H H 20 7.895 7.562 0.333 2
1 128 . 1 1 A 20 20 LYS HA H 20 3.938 4.260 -0.322 2
1 137 . 1 1 A 20 20 LYS C C 20 173.489 175.409 -1.920 2
1 138 . 1 1 A 20 20 LYS CA C 20 57.884 55.884 2.000 2
1 139 . 1 1 A 20 20 LYS CB C 20 33.788 33.690 0.098 2
1 143 . 1 1 A 20 20 LYS N N 20 122.674 122.062 0.612 2
1 144 . 1 1 A 21 21 ALA H H 21 7.745 7.932 -0.187 2
1 145 . 1 1 A 21 21 ALA HA H 21 5.041 5.344 -0.303 2
1 149 . 1 1 A 21 21 ALA C C 21 176.127 174.942 1.185 2
1 150 . 1 1 A 21 21 ALA CA C 21 50.368 50.566 -0.198 2
1 151 . 1 1 A 21 21 ALA CB C 21 22.257 23.241 -0.984 2
1 152 . 1 1 A 21 21 ALA N N 21 123.181 124.149 -0.968 2
1 153 . 1 1 A 22 22 PHE H H 22 8.499 9.272 -0.773 2
1 154 . 1 1 A 22 22 PHE HA H 22 4.707 4.946 -0.239 2
1 162 . 1 1 A 22 22 PHE C C 22 175.514 175.652 -0.138 2
1 163 . 1 1 A 22 22 PHE CA C 22 57.024 56.879 0.145 2
1 164 . 1 1 A 22 22 PHE CB C 22 43.573 43.246 0.327 2
1 170 . 1 1 A 22 22 PHE N N 22 117.063 117.700 -0.637 2
1 171 . 1 1 A 23 23 SER H H 23 8.920 8.633 0.287 2
1 172 . 1 1 A 23 23 SER HA H 23 4.679 4.558 0.121 2
1 175 . 1 1 A 23 23 SER C C 23 174.739 174.259 0.480 2
1 176 . 1 1 A 23 23 SER CA C 23 60.211 61.549 -1.338 2
1 177 . 1 1 A 23 23 SER CB C 23 64.285 63.560 0.725 2
1 178 . 1 1 A 23 23 SER N N 23 115.806 116.935 -1.129 2
1 179 . 1 1 A 24 24 ARG H H 24 7.566 7.944 -0.378 2
1 180 . 1 1 A 24 24 ARG HA H 24 4.797 4.648 0.149 2
1 187 . 1 1 A 24 24 ARG C C 24 176.488 176.556 -0.068 2
1 188 . 1 1 A 24 24 ARG CA C 24 53.323 54.243 -0.920 2
1 189 . 1 1 A 24 24 ARG CB C 24 33.751 32.115 1.636 2
1 192 . 1 1 A 24 24 ARG N N 24 117.138 118.946 -1.808 2
1 193 . 1 1 A 25 25 LYS H H 25 8.511 8.414 0.097 2
1 194 . 1 1 A 25 25 LYS HA H 25 2.879 2.873 0.006 2
1 203 . 1 1 A 25 25 LYS C C 25 178.784 177.384 1.400 2
1 204 . 1 1 A 25 25 LYS CA C 25 59.821 58.416 1.405 2
1 205 . 1 1 A 25 25 LYS CB C 25 31.540 31.894 -0.354 2
1 209 . 1 1 A 25 25 LYS N N 25 116.581 123.124 -6.543 2
1 210 . 1 1 A 26 26 TYR H H 26 8.189 8.101 0.088 2
1 211 . 1 1 A 26 26 TYR HA H 26 4.155 4.085 0.070 2
1 218 . 1 1 A 26 26 TYR C C 26 177.714 178.300 -0.586 2
1 219 . 1 1 A 26 26 TYR CA C 26 60.191 60.760 -0.569 2
1 220 . 1 1 A 26 26 TYR CB C 26 36.264 37.176 -0.912 2
1 225 . 1 1 A 26 26 TYR N N 26 114.321 118.551 -4.230 2
1 226 . 1 1 A 27 27 GLN H H 27 6.421 7.395 -0.974 2
1 227 . 1 1 A 27 27 GLN HA H 27 3.781 3.200 0.581 2
1 234 . 1 1 A 27 27 GLN C C 27 178.492 177.158 1.334 2
1 235 . 1 1 A 27 27 GLN CA C 27 57.318 58.010 -0.692 2
1 236 . 1 1 A 27 27 GLN CB C 27 28.324 28.082 0.242 2
1 238 . 1 1 A 27 27 GLN N N 27 119.701 120.799 -1.098 2
1 240 . 1 1 A 28 28 LEU H H 28 6.727 7.272 -0.545 2
1 241 . 1 1 A 28 28 LEU HA H 28 3.340 1.847 1.493 2
1 251 . 1 1 A 28 28 LEU C C 28 177.564 177.933 -0.369 2
1 252 . 1 1 A 28 28 LEU CA C 28 57.865 56.286 1.579 2
1 253 . 1 1 A 28 28 LEU CB C 28 40.440 41.949 -1.509 2
1 257 . 1 1 A 28 28 LEU N N 28 121.434 120.546 0.888 2
1 258 . 1 1 A 29 29 ILE H H 29 7.970 7.522 0.448 2
1 259 . 1 1 A 29 29 ILE HA H 29 3.741 3.446 0.295 2
1 269 . 1 1 A 29 29 ILE C C 29 179.163 177.842 1.321 2
1 270 . 1 1 A 29 29 ILE CA C 29 64.518 65.216 -0.698 2
1 271 . 1 1 A 29 29 ILE CB C 29 37.255 37.569 -0.314 2
1 275 . 1 1 A 29 29 ILE N N 29 119.312 120.375 -1.063 2
1 276 . 1 1 A 30 30 SER H H 30 7.665 7.962 -0.297 2
1 277 . 1 1 A 30 30 SER HA H 30 4.091 4.069 0.023 2
1 280 . 1 1 A 30 30 SER C C 30 177.361 176.866 0.495 2
1 281 . 1 1 A 30 30 SER CA C 30 61.460 60.850 0.610 2
1 282 . 1 1 A 30 30 SER CB C 30 62.526 63.082 -0.556 2
1 283 . 1 1 A 30 30 SER N N 30 113.605 115.206 -1.601 2
1 284 . 1 1 A 31 31 HIS H H 31 7.600 7.455 0.145 2
1 285 . 1 1 A 31 31 HIS HA H 31 4.237 4.309 -0.072 2
1 290 . 1 1 A 31 31 HIS C C 31 177.843 177.315 0.528 2
1 291 . 1 1 A 31 31 HIS CA C 31 59.125 59.364 -0.239 2
1 292 . 1 1 A 31 31 HIS CB C 31 28.478 29.894 -1.416 2
1 295 . 1 1 A 31 31 HIS N N 31 120.473 120.617 -0.144 2
1 296 . 1 1 A 32 32 GLN H H 32 8.815 8.180 0.635 2
1 297 . 1 1 A 32 32 GLN HA H 32 3.691 3.944 -0.253 2
1 304 . 1 1 A 32 32 GLN C C 32 178.072 178.649 -0.577 2
1 305 . 1 1 A 32 32 GLN CA C 32 59.764 59.089 0.675 2
1 306 . 1 1 A 32 32 GLN CB C 32 27.967 28.288 -0.321 2
1 308 . 1 1 A 32 32 GLN N N 32 120.188 117.663 2.525 2
1 310 . 1 1 A 33 33 ARG H H 33 7.307 7.740 -0.433 2
1 311 . 1 1 A 33 33 ARG HA H 33 4.124 4.041 0.083 2
1 318 . 1 1 A 33 33 ARG C C 33 178.441 178.814 -0.373 2
1 319 . 1 1 A 33 33 ARG CA C 33 58.665 59.239 -0.574 2
1 320 . 1 1 A 33 33 ARG CB C 33 29.859 29.935 -0.076 2
1 323 . 1 1 A 33 33 ARG N N 33 118.223 120.243 -2.021 2
1 324 . 1 1 A 34 34 THR H H 34 7.731 8.229 -0.498 2
1 325 . 1 1 A 34 34 THR HA H 34 4.123 3.944 0.179 2
1 330 . 1 1 A 34 34 THR C C 34 175.609 176.967 -1.358 2
1 331 . 1 1 A 34 34 THR CA C 34 63.859 65.430 -1.571 2
1 332 . 1 1 A 34 34 THR CB C 34 69.118 67.937 1.181 2
1 334 . 1 1 A 34 34 THR N N 34 109.975 113.065 -3.090 2
1 335 . 1 1 A 35 35 HIS H H 35 7.062 7.777 -0.715 2
1 336 . 1 1 A 35 35 HIS HA H 35 4.799 4.304 0.495 2
1 341 . 1 1 A 35 35 HIS C C 35 175.092 176.315 -1.223 2
1 342 . 1 1 A 35 35 HIS CA C 35 55.122 59.278 -4.156 2
1 343 . 1 1 A 35 35 HIS CB C 35 28.756 30.211 -1.455 2
1 346 . 1 1 A 35 35 HIS N N 35 118.423 119.304 -0.881 2
1 347 . 1 1 A 36 36 ALA H H 36 7.630 7.545 0.085 2
1 348 . 1 1 A 36 36 ALA HA H 36 4.347 4.020 0.327 2
1 352 . 1 1 A 36 36 ALA C C 36 178.040 177.916 0.124 2
1 353 . 1 1 A 36 36 ALA CA C 36 53.136 53.643 -0.507 2
1 354 . 1 1 A 36 36 ALA CB C 36 19.243 19.116 0.127 2
1 355 . 1 1 A 36 36 ALA N N 36 123.035 120.857 2.178 2
1 356 . 1 1 A 37 37 GLY H H 37 8.237 8.391 -0.154 2
1 357 . 1 1 A 37 37 GLY HA2 H 37 3.966 4.087 -0.121 2
1 358 . 1 1 A 37 37 GLY HA3 H 37 3.966 4.092 -0.126 2
1 359 . 1 1 A 37 37 GLY C C 37 174.074 173.471 0.603 2
1 360 . 1 1 A 37 37 GLY CA C 37 45.231 45.585 -0.354 2
1 361 . 1 1 A 37 37 GLY N N 37 107.712 109.014 -1.302 2
1 362 . 1 1 A 38 38 GLU H H 38 8.092 8.237 -0.145 2
1 363 . 1 1 A 38 38 GLU HA H 38 4.283 4.658 -0.375 2
1 368 . 1 1 A 38 38 GLU C C 38 176.336 175.332 1.005 2
1 369 . 1 1 A 38 38 GLU CA C 38 56.392 55.456 0.936 2
1 370 . 1 1 A 38 38 GLU CB C 38 30.516 31.076 -0.560 2
1 372 . 1 1 A 38 38 GLU N N 38 120.352 119.887 0.465 2
1 373 . 1 1 A 39 39 LYS H H 39 8.396 8.339 0.057 2
1 374 . 1 1 A 39 39 LYS HA H 39 4.623 4.688 -0.065 2
1 383 . 1 1 A 39 39 LYS C C 39 174.472 175.427 -0.955 2
1 384 . 1 1 A 39 39 LYS CA C 39 54.053 53.774 0.279 2
1 385 . 1 1 A 39 39 LYS CB C 39 32.429 33.697 -1.268 2
1 389 . 1 1 A 39 39 LYS N N 39 123.622 122.929 0.693 2
1 390 . 1 1 A 40 40 PRO HA H 40 4.467 4.527 -0.060 2
1 397 . 1 1 A 40 40 PRO CA C 40 63.263 63.284 -0.021 2
1 398 . 1 1 A 40 40 PRO CB C 40 32.140 32.107 0.033 2
1 401 . 1 1 A 42 42 GLY HA2 H 42 4.163 4.144 0.019 2
1 402 . 1 1 A 42 42 GLY HA3 H 42 4.097 4.145 -0.048 2
1 403 . 1 1 A 42 42 GLY CA C 42 44.650 44.953 -0.303 2
1 404 . 1 1 A 43 43 PRO HA H 43 4.432 4.559 -0.127 2
1 411 . 1 1 A 43 43 PRO CA C 43 63.073 62.891 0.183 2
1 412 . 1 1 A 43 43 PRO CB C 43 32.138 31.834 0.304 2
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