data_10201_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10201
_Entry.PDB_ID 2EMC
_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 3 . 1 1 1 A 7 7 GLY CA C 7 45.395 46.890 -1.495 1
1 4 . 1 1 1 A 7 7 GLY HA3 H 7 4.028 3.834 0.194 1
1 5 . 1 1 1 A 7 7 GLY C C 7 174.345 174.656 -0.311 1
1 6 . 1 1 1 A 7 7 GLY HA2 H 7 4.028 3.832 0.196 1
1 7 . 1 1 1 A 8 8 THR N N 8 114.076 112.756 1.320 1
1 8 . 1 1 1 A 8 8 THR H H 8 8.041 7.868 0.173 1
1 9 . 1 1 1 A 8 8 THR CA C 8 61.746 60.980 0.766 1
1 10 . 1 1 1 A 8 8 THR HA H 8 4.321 4.442 -0.121 1
1 11 . 1 1 1 A 8 8 THR CB C 8 69.981 70.527 -0.546 1
1 17 . 1 1 1 A 8 8 THR C C 8 174.522 174.212 0.310 1
1 18 . 1 1 1 A 9 9 LYS N N 9 123.558 117.602 5.956 1
1 19 . 1 1 1 A 9 9 LYS H H 9 8.347 8.739 -0.392 1
1 20 . 1 1 1 A 9 9 LYS CA C 9 56.456 56.964 -0.508 1
1 21 . 1 1 1 A 9 9 LYS HA H 9 4.243 3.523 0.720 1
1 22 . 1 1 1 A 9 9 LYS CB C 9 32.910 29.708 3.202 1
1 29 . 1 1 1 A 9 9 LYS C C 9 176.303 176.241 0.062 1
1 34 . 1 1 1 A 10 10 GLU N N 10 121.405 115.939 5.466 1
1 35 . 1 1 1 A 10 10 GLU H H 10 8.292 8.437 -0.145 1
1 36 . 1 1 1 A 10 10 GLU CA C 10 56.554 55.547 1.007 1
1 37 . 1 1 1 A 10 10 GLU HA H 10 4.132 4.432 -0.300 1
1 38 . 1 1 1 A 10 10 GLU CB C 10 30.305 29.033 1.272 1
1 42 . 1 1 1 A 10 10 GLU C C 10 176.024 176.515 -0.491 1
1 45 . 1 1 1 A 11 11 HIS N N 11 121.270 120.743 0.527 1
1 46 . 1 1 1 A 11 11 HIS H H 11 8.258 7.480 0.778 1
1 47 . 1 1 1 A 11 11 HIS CA C 11 53.734 54.931 -1.197 1
1 48 . 1 1 1 A 11 11 HIS HA H 11 4.831 4.559 0.272 1
1 49 . 1 1 1 A 11 11 HIS CB C 11 31.178 29.944 1.234 1
1 55 . 1 1 1 A 11 11 HIS C C 11 174.107 175.218 -1.111 1
1 57 . 1 1 1 A 12 12 PRO CA C 12 63.651 64.014 -0.363 1
1 58 . 1 1 1 A 12 12 PRO HA H 12 4.301 4.210 0.091 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.098 31.099 0.999 1
1 65 . 1 1 1 A 12 12 PRO C C 12 176.381 175.878 0.503 1
1 69 . 1 1 1 A 13 13 PHE N N 13 116.995 118.312 -1.317 1
1 70 . 1 1 1 A 13 13 PHE H H 13 7.836 7.571 0.265 1
1 71 . 1 1 1 A 13 13 PHE CA C 13 57.114 56.854 0.260 1
1 72 . 1 1 1 A 13 13 PHE HA H 13 4.804 5.351 -0.547 1
1 73 . 1 1 1 A 13 13 PHE CB C 13 39.642 42.066 -2.424 1
1 85 . 1 1 1 A 13 13 PHE C C 13 174.042 174.223 -0.181 1
1 87 . 1 1 1 A 14 14 LYS N N 14 124.716 123.653 1.063 1
1 88 . 1 1 1 A 14 14 LYS H H 14 8.671 9.013 -0.342 1
1 89 . 1 1 1 A 14 14 LYS CA C 14 55.018 54.919 0.099 1
1 90 . 1 1 1 A 14 14 LYS HA H 14 4.973 5.347 -0.374 1
1 91 . 1 1 1 A 14 14 LYS CB C 14 36.127 36.374 -0.247 1
1 99 . 1 1 1 A 14 14 LYS C C 14 174.476 175.469 -0.993 1
1 104 . 1 1 1 A 15 15 CYS N N 15 127.379 125.220 2.159 1
1 105 . 1 1 1 A 15 15 CYS H H 15 9.267 9.240 0.027 1
1 106 . 1 1 1 A 15 15 CYS CA C 15 59.230 60.273 -1.043 1
1 107 . 1 1 1 A 15 15 CYS HA H 15 4.592 4.538 0.054 1
1 108 . 1 1 1 A 15 15 CYS CB C 15 29.614 28.392 1.222 1
1 110 . 1 1 1 A 15 15 CYS C C 15 176.798 175.881 0.917 1
1 112 . 1 1 1 A 16 16 ASN N N 16 130.287 127.459 2.828 1
1 113 . 1 1 1 A 16 16 ASN H H 16 9.447 9.351 0.096 1
1 114 . 1 1 1 A 16 16 ASN CA C 16 55.588 54.074 1.514 1
1 115 . 1 1 1 A 16 16 ASN HA H 16 4.548 4.803 -0.255 1
1 116 . 1 1 1 A 16 16 ASN CB C 16 38.414 38.782 -0.368 1
1 121 . 1 1 1 A 16 16 ASN C C 16 175.463 176.998 -1.535 1
1 123 . 1 1 1 A 17 17 GLU N N 17 120.826 118.477 2.349 1
1 124 . 1 1 1 A 17 17 GLU H H 17 8.704 7.730 0.974 1
1 125 . 1 1 1 A 17 17 GLU CA C 17 58.511 59.244 -0.733 1
1 126 . 1 1 1 A 17 17 GLU HA H 17 4.227 3.976 0.251 1
1 127 . 1 1 1 A 17 17 GLU CB C 17 29.478 29.384 0.094 1
1 131 . 1 1 1 A 17 17 GLU C C 17 177.096 177.772 -0.676 1
1 134 . 1 1 1 A 18 18 CYS N N 18 114.551 115.225 -0.674 1
1 135 . 1 1 1 A 18 18 CYS H H 18 7.945 7.464 0.481 1
1 136 . 1 1 1 A 18 18 CYS CA C 18 58.357 59.685 -1.328 1
1 137 . 1 1 1 A 18 18 CYS HA H 18 5.196 4.712 0.484 1
1 138 . 1 1 1 A 18 18 CYS CB C 18 32.462 30.029 2.433 1
1 140 . 1 1 1 A 18 18 CYS C C 18 176.232 175.658 0.574 1
1 142 . 1 1 1 A 19 19 GLY N N 19 113.587 109.901 3.686 1
1 143 . 1 1 1 A 19 19 GLY H H 19 8.233 8.053 0.180 1
1 144 . 1 1 1 A 19 19 GLY CA C 19 46.310 45.060 1.250 1
1 145 . 1 1 1 A 19 19 GLY HA3 H 19 4.284 4.092 0.192 1
1 146 . 1 1 1 A 19 19 GLY C C 19 173.663 174.414 -0.751 1
1 147 . 1 1 1 A 19 19 GLY HA2 H 19 3.758 4.078 -0.320 1
1 148 . 1 1 1 A 20 20 LYS N N 20 122.684 120.176 2.508 1
1 149 . 1 1 1 A 20 20 LYS H H 20 7.972 7.394 0.578 1
1 150 . 1 1 1 A 20 20 LYS CA C 20 58.156 55.996 2.160 1
1 151 . 1 1 1 A 20 20 LYS HA H 20 4.078 4.385 -0.307 1
1 152 . 1 1 1 A 20 20 LYS CB C 20 33.727 34.576 -0.849 1
1 160 . 1 1 1 A 20 20 LYS C C 20 174.656 175.322 -0.666 1
1 165 . 1 1 1 A 21 21 THR N N 21 110.579 111.392 -0.813 1
1 166 . 1 1 1 A 21 21 THR H H 21 7.609 8.349 -0.740 1
1 167 . 1 1 1 A 21 21 THR CA C 21 59.691 60.020 -0.329 1
1 168 . 1 1 1 A 21 21 THR HA H 21 5.205 5.378 -0.173 1
1 169 . 1 1 1 A 21 21 THR CB C 21 71.137 71.395 -0.258 1
1 175 . 1 1 1 A 21 21 THR C C 21 173.496 173.064 0.432 1
1 176 . 1 1 1 A 22 22 PHE N N 22 116.127 119.830 -3.703 1
1 177 . 1 1 1 A 22 22 PHE H H 22 8.683 9.345 -0.662 1
1 178 . 1 1 1 A 22 22 PHE CA C 22 56.997 56.837 0.160 1
1 179 . 1 1 1 A 22 22 PHE HA H 22 4.759 5.148 -0.389 1
1 180 . 1 1 1 A 22 22 PHE CB C 22 44.522 42.310 2.212 1
1 192 . 1 1 1 A 22 22 PHE C C 22 175.274 176.092 -0.818 1
1 194 . 1 1 1 A 23 23 SER N N 23 115.350 118.869 -3.519 1
1 195 . 1 1 1 A 23 23 SER H H 23 9.509 8.988 0.521 1
1 196 . 1 1 1 A 23 23 SER CA C 23 60.097 61.396 -1.299 1
1 197 . 1 1 1 A 23 23 SER HA H 23 4.455 4.145 0.310 1
1 198 . 1 1 1 A 23 23 SER CB C 23 64.104 63.233 0.871 1
1 201 . 1 1 1 A 24 24 HIS N N 24 117.610 116.880 0.730 1
1 202 . 1 1 1 A 24 24 HIS H H 24 7.093 8.504 -1.411 1
1 203 . 1 1 1 A 24 24 HIS CA C 24 55.771 55.654 0.117 1
1 204 . 1 1 1 A 24 24 HIS HA H 24 4.570 5.210 -0.640 1
1 205 . 1 1 1 A 24 24 HIS CB C 24 33.304 31.831 1.473 1
1 212 . 1 1 1 A 25 25 SER H H 25 7.251 8.624 -1.373 1
1 213 . 1 1 1 A 25 25 SER CA C 25 61.178 60.767 0.411 1
1 214 . 1 1 1 A 25 25 SER HA H 25 2.986 2.857 0.129 1
1 215 . 1 1 1 A 25 25 SER CB C 25 61.917 62.079 -0.162 1
1 218 . 1 1 1 A 26 26 ALA CA C 26 54.851 55.155 -0.304 1
1 219 . 1 1 1 A 26 26 ALA HA H 26 4.129 3.866 0.263 1
1 220 . 1 1 1 A 26 26 ALA CB C 26 18.182 18.384 -0.202 1
1 224 . 1 1 1 A 26 26 ALA C C 26 180.317 179.354 0.963 1
1 225 . 1 1 1 A 27 27 HIS N N 27 116.106 115.844 0.262 1
1 226 . 1 1 1 A 27 27 HIS H H 27 6.999 7.615 -0.616 1
1 227 . 1 1 1 A 27 27 HIS CA C 27 56.588 59.390 -2.802 1
1 228 . 1 1 1 A 27 27 HIS HA H 27 4.470 4.280 0.190 1
1 229 . 1 1 1 A 27 27 HIS CB C 27 31.665 29.814 1.851 1
1 235 . 1 1 1 A 27 27 HIS C C 27 178.498 177.146 1.352 1
1 237 . 1 1 1 A 28 28 LEU N N 28 121.252 120.718 0.534 1
1 238 . 1 1 1 A 28 28 LEU H H 28 6.954 7.844 -0.890 1
1 239 . 1 1 1 A 28 28 LEU CA C 28 57.761 57.880 -0.119 1
1 240 . 1 1 1 A 28 28 LEU HA H 28 3.160 2.880 0.280 1
1 241 . 1 1 1 A 28 28 LEU CB C 28 40.366 41.670 -1.304 1
1 253 . 1 1 1 A 28 28 LEU C C 28 177.469 178.113 -0.644 1
1 255 . 1 1 1 A 29 29 SER N N 29 114.613 113.441 1.172 1
1 256 . 1 1 1 A 29 29 SER H H 29 8.258 8.261 -0.003 1
1 257 . 1 1 1 A 29 29 SER CA C 29 62.389 61.475 0.914 1
1 258 . 1 1 1 A 29 29 SER HA H 29 3.861 4.057 -0.196 1
1 259 . 1 1 1 A 29 29 SER CB C 29 62.209 62.560 -0.351 1
1 261 . 1 1 1 A 29 29 SER C C 29 176.889 176.571 0.318 1
1 263 . 1 1 1 A 30 30 LYS N N 30 120.296 122.028 -1.732 1
1 264 . 1 1 1 A 30 30 LYS H H 30 7.420 7.448 -0.028 1
1 265 . 1 1 1 A 30 30 LYS CA C 30 58.898 58.862 0.036 1
1 266 . 1 1 1 A 30 30 LYS HA H 30 4.064 3.969 0.095 1
1 267 . 1 1 1 A 30 30 LYS CB C 30 32.454 32.014 0.440 1
1 275 . 1 1 1 A 30 30 LYS C C 30 178.850 178.687 0.163 1
1 280 . 1 1 1 A 31 31 HIS N N 31 119.097 119.994 -0.897 1
1 281 . 1 1 1 A 31 31 HIS H H 31 7.585 8.253 -0.668 1
1 282 . 1 1 1 A 31 31 HIS CA C 31 59.221 58.883 0.338 1
1 283 . 1 1 1 A 31 31 HIS HA H 31 4.186 4.131 0.055 1
1 284 . 1 1 1 A 31 31 HIS CB C 31 28.480 29.930 -1.450 1
1 290 . 1 1 1 A 31 31 HIS C C 31 176.309 176.932 -0.623 1
1 292 . 1 1 1 A 32 32 GLN N N 32 115.041 118.065 -3.024 1
1 293 . 1 1 1 A 32 32 GLN H H 32 8.315 7.850 0.465 1
1 294 . 1 1 1 A 32 32 GLN CA C 32 59.416 58.467 0.949 1
1 295 . 1 1 1 A 32 32 GLN HA H 32 3.715 4.128 -0.413 1
1 296 . 1 1 1 A 32 32 GLN CB C 32 28.247 28.265 -0.018 1
1 303 . 1 1 1 A 32 32 GLN C C 32 177.758 179.060 -1.302 1
1 306 . 1 1 1 A 33 33 LEU N N 33 118.894 119.974 -1.080 1
1 307 . 1 1 1 A 33 33 LEU H H 33 7.181 8.028 -0.847 1
1 308 . 1 1 1 A 33 33 LEU CA C 33 57.476 57.771 -0.295 1
1 309 . 1 1 1 A 33 33 LEU HA H 33 4.056 4.033 0.023 1
1 310 . 1 1 1 A 33 33 LEU CB C 33 41.570 41.228 0.342 1
1 322 . 1 1 1 A 33 33 LEU C C 33 179.710 179.169 0.541 1
1 324 . 1 1 1 A 34 34 ILE N N 34 116.556 115.113 1.443 1
1 325 . 1 1 1 A 34 34 ILE H H 34 7.824 7.594 0.230 1
1 326 . 1 1 1 A 34 34 ILE CA C 34 63.328 64.060 -0.732 1
1 327 . 1 1 1 A 34 34 ILE HA H 34 3.939 3.806 0.133 1
1 328 . 1 1 1 A 34 34 ILE CB C 34 37.595 36.896 0.699 1
1 340 . 1 1 1 A 34 34 ILE C C 34 177.765 177.708 0.057 1
1 342 . 1 1 1 A 35 35 HIS N N 35 117.319 119.943 -2.624 1
1 343 . 1 1 1 A 35 35 HIS H H 35 7.053 7.846 -0.793 1
1 344 . 1 1 1 A 35 35 HIS CA C 35 55.162 59.197 -4.035 1
1 345 . 1 1 1 A 35 35 HIS HA H 35 4.793 4.226 0.567 1
1 346 . 1 1 1 A 35 35 HIS CB C 35 28.486 29.940 -1.454 1
1 352 . 1 1 1 A 35 35 HIS C C 35 175.328 176.176 -0.848 1
1 354 . 1 1 1 A 36 36 ALA N N 36 122.453 119.095 3.358 1
1 355 . 1 1 1 A 36 36 ALA H H 36 7.546 7.114 0.432 1
1 356 . 1 1 1 A 36 36 ALA CA C 36 53.295 51.433 1.862 1
1 357 . 1 1 1 A 36 36 ALA HA H 36 4.340 4.282 0.058 1
1 358 . 1 1 1 A 36 36 ALA CB C 36 19.226 18.467 0.759 1
1 362 . 1 1 1 A 36 36 ALA C C 36 178.109 177.599 0.510 1
1 363 . 1 1 1 A 37 37 GLY N N 37 107.129 107.206 -0.077 1
1 364 . 1 1 1 A 37 37 GLY H H 37 8.129 7.746 0.383 1
1 365 . 1 1 1 A 37 37 GLY CA C 37 45.268 46.971 -1.703 1
1 366 . 1 1 1 A 37 37 GLY HA3 H 37 3.998 3.893 0.105 1
1 367 . 1 1 1 A 37 37 GLY C C 37 174.043 175.093 -1.050 1
1 368 . 1 1 1 A 37 37 GLY HA2 H 37 3.954 3.887 0.067 1
1 369 . 1 1 1 A 38 38 GLU N N 38 119.932 120.288 -0.356 1
1 370 . 1 1 1 A 38 38 GLU H H 38 8.057 8.374 -0.317 1
1 371 . 1 1 1 A 38 38 GLU CA C 38 56.397 55.344 1.053 1
1 372 . 1 1 1 A 38 38 GLU HA H 38 4.284 4.585 -0.301 1
1 373 . 1 1 1 A 38 38 GLU CB C 38 30.566 30.549 0.017 1
1 377 . 1 1 1 A 38 38 GLU C C 38 176.062 175.016 1.046 1
1 380 . 1 1 1 A 39 39 ASN N N 39 120.263 115.783 4.480 1
1 381 . 1 1 1 A 39 39 ASN H H 39 8.524 7.650 0.874 1
1 382 . 1 1 1 A 39 39 ASN CA C 39 51.432 51.157 0.275 1
1 383 . 1 1 1 A 39 39 ASN HA H 39 4.986 5.057 -0.071 1
1 384 . 1 1 1 A 39 39 ASN CB C 39 39.023 41.256 -2.233 1
1 389 . 1 1 1 A 39 39 ASN C C 39 173.352 172.214 1.138 1
1 391 . 1 1 1 A 40 40 PRO CA C 40 63.132 62.769 0.363 1
1 392 . 1 1 1 A 40 40 PRO HA H 40 4.437 4.629 -0.192 1
1 393 . 1 1 1 A 40 40 PRO CB C 40 32.192 31.776 0.416 1
1 402 . 1 1 1 A 41 41 SER N N 41 116.490 115.492 0.998 1
1 403 . 1 1 1 A 41 41 SER H H 41 8.541 8.360 0.181 1
1 404 . 1 1 1 A 41 41 SER CA C 41 58.569 57.563 1.006 1
1 405 . 1 1 1 A 41 41 SER CB C 41 64.089 64.708 -0.619 1
1 406 . 1 1 1 A 42 42 GLY HA2 H 42 4.122 4.209 -0.087 1
1 407 . 1 1 1 A 43 43 PRO CA C 43 63.258 64.047 -0.789 1
1 408 . 1 1 1 A 43 43 PRO HA H 43 4.490 4.483 0.007 1
1 409 . 1 1 1 A 43 43 PRO CB C 43 32.196 31.742 0.454 1
1 418 . 1 1 1 A 44 44 SER N N 44 115.698 115.962 -0.264 1
1 419 . 1 1 1 A 44 44 SER H H 44 8.413 7.654 0.759 1
1 420 . 1 1 1 A 44 44 SER CA C 44 58.408 58.923 -0.515 1
1 421 . 1 1 1 A 44 44 SER HA H 44 4.489 4.394 0.095 1
1 422 . 1 1 1 A 44 44 SER CB C 44 63.941 63.421 0.520 1
1 424 . 1 1 1 A 45 45 SER CA C 45 58.456 57.882 0.574 1
1 425 . 1 1 1 A 45 45 SER HA H 45 4.490 5.147 -0.657 1
1 426 . 1 1 1 A 45 45 SER CB C 45 64.115 65.554 -1.439 1
1 428 . 1 1 1 A 45 45 SER C C 45 173.910 173.364 0.546 1
1 3 . 2 1 1 A 7 7 GLY CA C 7 45.395 44.337 1.058 1
1 4 . 2 1 1 A 7 7 GLY HA3 H 7 4.028 4.079 -0.051 1
1 5 . 2 1 1 A 7 7 GLY C C 7 174.345 174.794 -0.449 1
1 6 . 2 1 1 A 7 7 GLY HA2 H 7 4.028 4.071 -0.043 1
1 7 . 2 1 1 A 8 8 THR N N 8 114.076 113.928 0.148 1
1 8 . 2 1 1 A 8 8 THR H H 8 8.041 8.826 -0.785 1
1 9 . 2 1 1 A 8 8 THR CA C 8 61.746 62.942 -1.196 1
1 10 . 2 1 1 A 8 8 THR HA H 8 4.321 4.082 0.239 1
1 11 . 2 1 1 A 8 8 THR CB C 8 69.981 66.615 3.366 1
1 17 . 2 1 1 A 8 8 THR C C 8 174.522 173.984 0.538 1
1 18 . 2 1 1 A 9 9 LYS N N 9 123.558 121.066 2.492 1
1 19 . 2 1 1 A 9 9 LYS H H 9 8.347 7.874 0.473 1
1 20 . 2 1 1 A 9 9 LYS CA C 9 56.456 55.072 1.384 1
1 21 . 2 1 1 A 9 9 LYS HA H 9 4.243 4.319 -0.076 1
1 22 . 2 1 1 A 9 9 LYS CB C 9 32.910 32.535 0.375 1
1 29 . 2 1 1 A 9 9 LYS C C 9 176.303 176.429 -0.126 1
1 34 . 2 1 1 A 10 10 GLU N N 10 121.405 120.166 1.239 1
1 35 . 2 1 1 A 10 10 GLU H H 10 8.292 7.866 0.426 1
1 36 . 2 1 1 A 10 10 GLU CA C 10 56.554 55.551 1.003 1
1 37 . 2 1 1 A 10 10 GLU HA H 10 4.132 4.579 -0.447 1
1 38 . 2 1 1 A 10 10 GLU CB C 10 30.305 30.361 -0.056 1
1 42 . 2 1 1 A 10 10 GLU C C 10 176.024 175.844 0.180 1
1 45 . 2 1 1 A 11 11 HIS N N 11 121.270 120.141 1.129 1
1 46 . 2 1 1 A 11 11 HIS H H 11 8.258 7.424 0.834 1
1 47 . 2 1 1 A 11 11 HIS CA C 11 53.734 54.874 -1.140 1
1 48 . 2 1 1 A 11 11 HIS HA H 11 4.831 4.595 0.236 1
1 49 . 2 1 1 A 11 11 HIS CB C 11 31.178 30.088 1.090 1
1 55 . 2 1 1 A 11 11 HIS C C 11 174.107 175.212 -1.105 1
1 57 . 2 1 1 A 12 12 PRO CA C 12 63.651 64.047 -0.396 1
1 58 . 2 1 1 A 12 12 PRO HA H 12 4.301 4.162 0.139 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.098 31.150 0.948 1
1 65 . 2 1 1 A 12 12 PRO C C 12 176.381 175.843 0.538 1
1 69 . 2 1 1 A 13 13 PHE N N 13 116.995 118.307 -1.312 1
1 70 . 2 1 1 A 13 13 PHE H H 13 7.836 7.545 0.291 1
1 71 . 2 1 1 A 13 13 PHE CA C 13 57.114 56.858 0.256 1
1 72 . 2 1 1 A 13 13 PHE HA H 13 4.804 5.311 -0.507 1
1 73 . 2 1 1 A 13 13 PHE CB C 13 39.642 42.322 -2.680 1
1 85 . 2 1 1 A 13 13 PHE C C 13 174.042 174.195 -0.153 1
1 87 . 2 1 1 A 14 14 LYS N N 14 124.716 123.290 1.426 1
1 88 . 2 1 1 A 14 14 LYS H H 14 8.671 9.048 -0.377 1
1 89 . 2 1 1 A 14 14 LYS CA C 14 55.018 54.774 0.244 1
1 90 . 2 1 1 A 14 14 LYS HA H 14 4.973 5.465 -0.492 1
1 91 . 2 1 1 A 14 14 LYS CB C 14 36.127 36.595 -0.468 1
1 99 . 2 1 1 A 14 14 LYS C C 14 174.476 175.351 -0.875 1
1 104 . 2 1 1 A 15 15 CYS N N 15 127.379 124.932 2.447 1
1 105 . 2 1 1 A 15 15 CYS H H 15 9.267 9.231 0.036 1
1 106 . 2 1 1 A 15 15 CYS CA C 15 59.230 59.961 -0.731 1
1 107 . 2 1 1 A 15 15 CYS HA H 15 4.592 4.587 0.005 1
1 108 . 2 1 1 A 15 15 CYS CB C 15 29.614 28.512 1.102 1
1 110 . 2 1 1 A 15 15 CYS C C 15 176.798 176.066 0.732 1
1 112 . 2 1 1 A 16 16 ASN N N 16 130.287 127.194 3.093 1
1 113 . 2 1 1 A 16 16 ASN H H 16 9.447 9.375 0.072 1
1 114 . 2 1 1 A 16 16 ASN CA C 16 55.588 54.584 1.004 1
1 115 . 2 1 1 A 16 16 ASN HA H 16 4.548 4.725 -0.177 1
1 116 . 2 1 1 A 16 16 ASN CB C 16 38.414 38.576 -0.162 1
1 121 . 2 1 1 A 16 16 ASN C C 16 175.463 177.015 -1.552 1
1 123 . 2 1 1 A 17 17 GLU N N 17 120.826 118.374 2.452 1
1 124 . 2 1 1 A 17 17 GLU H H 17 8.704 7.793 0.911 1
1 125 . 2 1 1 A 17 17 GLU CA C 17 58.511 58.815 -0.304 1
1 126 . 2 1 1 A 17 17 GLU HA H 17 4.227 3.980 0.247 1
1 127 . 2 1 1 A 17 17 GLU CB C 17 29.478 29.473 0.005 1
1 131 . 2 1 1 A 17 17 GLU C C 17 177.096 177.701 -0.605 1
1 134 . 2 1 1 A 18 18 CYS N N 18 114.551 114.617 -0.066 1
1 135 . 2 1 1 A 18 18 CYS H H 18 7.945 7.868 0.077 1
1 136 . 2 1 1 A 18 18 CYS CA C 18 58.357 59.442 -1.085 1
1 137 . 2 1 1 A 18 18 CYS HA H 18 5.196 4.744 0.452 1
1 138 . 2 1 1 A 18 18 CYS CB C 18 32.462 30.233 2.229 1
1 140 . 2 1 1 A 18 18 CYS C C 18 176.232 175.824 0.408 1
1 142 . 2 1 1 A 19 19 GLY N N 19 113.587 109.937 3.650 1
1 143 . 2 1 1 A 19 19 GLY H H 19 8.233 8.171 0.062 1
1 144 . 2 1 1 A 19 19 GLY CA C 19 46.310 45.170 1.140 1
1 145 . 2 1 1 A 19 19 GLY HA3 H 19 4.284 4.082 0.202 1
1 146 . 2 1 1 A 19 19 GLY C C 19 173.663 174.595 -0.932 1
1 147 . 2 1 1 A 19 19 GLY HA2 H 19 3.758 4.066 -0.308 1
1 148 . 2 1 1 A 20 20 LYS N N 20 122.684 120.145 2.539 1
1 149 . 2 1 1 A 20 20 LYS H H 20 7.972 7.413 0.559 1
1 150 . 2 1 1 A 20 20 LYS CA C 20 58.156 56.130 2.026 1
1 151 . 2 1 1 A 20 20 LYS HA H 20 4.078 4.350 -0.272 1
1 152 . 2 1 1 A 20 20 LYS CB C 20 33.727 34.248 -0.521 1
1 160 . 2 1 1 A 20 20 LYS C C 20 174.656 175.156 -0.500 1
1 165 . 2 1 1 A 21 21 THR N N 21 110.579 110.982 -0.403 1
1 166 . 2 1 1 A 21 21 THR H H 21 7.609 8.070 -0.461 1
1 167 . 2 1 1 A 21 21 THR CA C 21 59.691 60.031 -0.340 1
1 168 . 2 1 1 A 21 21 THR HA H 21 5.205 5.468 -0.263 1
1 169 . 2 1 1 A 21 21 THR CB C 21 71.137 71.742 -0.605 1
1 175 . 2 1 1 A 21 21 THR C C 21 173.496 172.911 0.585 1
1 176 . 2 1 1 A 22 22 PHE N N 22 116.127 119.477 -3.350 1
1 177 . 2 1 1 A 22 22 PHE H H 22 8.683 9.284 -0.601 1
1 178 . 2 1 1 A 22 22 PHE CA C 22 56.997 57.215 -0.218 1
1 179 . 2 1 1 A 22 22 PHE HA H 22 4.759 5.175 -0.416 1
1 180 . 2 1 1 A 22 22 PHE CB C 22 44.522 42.637 1.885 1
1 192 . 2 1 1 A 22 22 PHE C C 22 175.274 176.037 -0.763 1
1 194 . 2 1 1 A 23 23 SER N N 23 115.350 118.908 -3.558 1
1 195 . 2 1 1 A 23 23 SER H H 23 9.509 8.882 0.627 1
1 196 . 2 1 1 A 23 23 SER CA C 23 60.097 61.690 -1.593 1
1 197 . 2 1 1 A 23 23 SER HA H 23 4.455 4.226 0.229 1
1 198 . 2 1 1 A 23 23 SER CB C 23 64.104 62.959 1.145 1
1 201 . 2 1 1 A 24 24 HIS N N 24 117.610 116.442 1.168 1
1 202 . 2 1 1 A 24 24 HIS H H 24 7.093 8.550 -1.457 1
1 203 . 2 1 1 A 24 24 HIS CA C 24 55.771 55.801 -0.030 1
1 204 . 2 1 1 A 24 24 HIS HA H 24 4.570 5.075 -0.505 1
1 205 . 2 1 1 A 24 24 HIS CB C 24 33.304 31.954 1.350 1
1 212 . 2 1 1 A 25 25 SER H H 25 7.251 8.516 -1.265 1
1 213 . 2 1 1 A 25 25 SER CA C 25 61.178 60.735 0.443 1
1 214 . 2 1 1 A 25 25 SER HA H 25 2.986 2.879 0.107 1
1 215 . 2 1 1 A 25 25 SER CB C 25 61.917 62.062 -0.145 1
1 218 . 2 1 1 A 26 26 ALA CA C 26 54.851 55.104 -0.253 1
1 219 . 2 1 1 A 26 26 ALA HA H 26 4.129 3.858 0.271 1
1 220 . 2 1 1 A 26 26 ALA CB C 26 18.182 18.127 0.055 1
1 224 . 2 1 1 A 26 26 ALA C C 26 180.317 179.265 1.052 1
1 225 . 2 1 1 A 27 27 HIS N N 27 116.106 115.974 0.132 1
1 226 . 2 1 1 A 27 27 HIS H H 27 6.999 7.714 -0.715 1
1 227 . 2 1 1 A 27 27 HIS CA C 27 56.588 59.358 -2.770 1
1 228 . 2 1 1 A 27 27 HIS HA H 27 4.470 4.288 0.182 1
1 229 . 2 1 1 A 27 27 HIS CB C 27 31.665 29.823 1.842 1
1 235 . 2 1 1 A 27 27 HIS C C 27 178.498 177.306 1.192 1
1 237 . 2 1 1 A 28 28 LEU N N 28 121.252 121.206 0.046 1
1 238 . 2 1 1 A 28 28 LEU H H 28 6.954 8.004 -1.050 1
1 239 . 2 1 1 A 28 28 LEU CA C 28 57.761 57.674 0.087 1
1 240 . 2 1 1 A 28 28 LEU HA H 28 3.160 2.700 0.460 1
1 241 . 2 1 1 A 28 28 LEU CB C 28 40.366 41.630 -1.264 1
1 253 . 2 1 1 A 28 28 LEU C C 28 177.469 178.156 -0.687 1
1 255 . 2 1 1 A 29 29 SER N N 29 114.613 113.587 1.026 1
1 256 . 2 1 1 A 29 29 SER H H 29 8.258 8.266 -0.008 1
1 257 . 2 1 1 A 29 29 SER CA C 29 62.389 61.407 0.982 1
1 258 . 2 1 1 A 29 29 SER HA H 29 3.861 4.046 -0.185 1
1 259 . 2 1 1 A 29 29 SER CB C 29 62.209 62.509 -0.300 1
1 261 . 2 1 1 A 29 29 SER C C 29 176.889 176.585 0.304 1
1 263 . 2 1 1 A 30 30 LYS N N 30 120.296 122.356 -2.060 1
1 264 . 2 1 1 A 30 30 LYS H H 30 7.420 7.576 -0.156 1
1 265 . 2 1 1 A 30 30 LYS CA C 30 58.898 58.904 -0.006 1
1 266 . 2 1 1 A 30 30 LYS HA H 30 4.064 3.971 0.093 1
1 267 . 2 1 1 A 30 30 LYS CB C 30 32.454 32.053 0.401 1
1 275 . 2 1 1 A 30 30 LYS C C 30 178.850 178.685 0.165 1
1 280 . 2 1 1 A 31 31 HIS N N 31 119.097 119.958 -0.861 1
1 281 . 2 1 1 A 31 31 HIS H H 31 7.585 8.001 -0.416 1
1 282 . 2 1 1 A 31 31 HIS CA C 31 59.221 58.773 0.448 1
1 283 . 2 1 1 A 31 31 HIS HA H 31 4.186 4.166 0.020 1
1 284 . 2 1 1 A 31 31 HIS CB C 31 28.480 30.127 -1.647 1
1 290 . 2 1 1 A 31 31 HIS C C 31 176.309 176.940 -0.631 1
1 292 . 2 1 1 A 32 32 GLN N N 32 115.041 117.948 -2.907 1
1 293 . 2 1 1 A 32 32 GLN H H 32 8.315 7.771 0.544 1
1 294 . 2 1 1 A 32 32 GLN CA C 32 59.416 58.615 0.801 1
1 295 . 2 1 1 A 32 32 GLN HA H 32 3.715 4.134 -0.419 1
1 296 . 2 1 1 A 32 32 GLN CB C 32 28.247 28.373 -0.126 1
1 303 . 2 1 1 A 32 32 GLN C C 32 177.758 179.001 -1.243 1
1 306 . 2 1 1 A 33 33 LEU N N 33 118.894 120.121 -1.227 1
1 307 . 2 1 1 A 33 33 LEU H H 33 7.181 7.540 -0.359 1
1 308 . 2 1 1 A 33 33 LEU CA C 33 57.476 57.682 -0.206 1
1 309 . 2 1 1 A 33 33 LEU HA H 33 4.056 4.052 0.004 1
1 310 . 2 1 1 A 33 33 LEU CB C 33 41.570 41.288 0.282 1
1 322 . 2 1 1 A 33 33 LEU C C 33 179.710 179.139 0.571 1
1 324 . 2 1 1 A 34 34 ILE N N 34 116.556 115.088 1.468 1
1 325 . 2 1 1 A 34 34 ILE H H 34 7.824 7.639 0.185 1
1 326 . 2 1 1 A 34 34 ILE CA C 34 63.328 64.147 -0.819 1
1 327 . 2 1 1 A 34 34 ILE HA H 34 3.939 3.801 0.138 1
1 328 . 2 1 1 A 34 34 ILE CB C 34 37.595 37.026 0.569 1
1 340 . 2 1 1 A 34 34 ILE C C 34 177.765 178.095 -0.330 1
1 342 . 2 1 1 A 35 35 HIS N N 35 117.319 119.617 -2.298 1
1 343 . 2 1 1 A 35 35 HIS H H 35 7.053 7.610 -0.557 1
1 344 . 2 1 1 A 35 35 HIS CA C 35 55.162 59.389 -4.227 1
1 345 . 2 1 1 A 35 35 HIS HA H 35 4.793 4.246 0.547 1
1 346 . 2 1 1 A 35 35 HIS CB C 35 28.486 30.428 -1.942 1
1 352 . 2 1 1 A 35 35 HIS C C 35 175.328 176.160 -0.832 1
1 354 . 2 1 1 A 36 36 ALA N N 36 122.453 120.437 2.016 1
1 355 . 2 1 1 A 36 36 ALA H H 36 7.546 7.104 0.442 1
1 356 . 2 1 1 A 36 36 ALA CA C 36 53.295 51.271 2.024 1
1 357 . 2 1 1 A 36 36 ALA HA H 36 4.340 4.394 -0.054 1
1 358 . 2 1 1 A 36 36 ALA CB C 36 19.226 18.874 0.352 1
1 362 . 2 1 1 A 36 36 ALA C C 36 178.109 176.229 1.880 1
1 363 . 2 1 1 A 37 37 GLY N N 37 107.129 111.941 -4.812 1
1 364 . 2 1 1 A 37 37 GLY H H 37 8.129 9.100 -0.971 1
1 365 . 2 1 1 A 37 37 GLY CA C 37 45.268 45.001 0.267 1
1 366 . 2 1 1 A 37 37 GLY HA3 H 37 3.998 4.143 -0.145 1
1 367 . 2 1 1 A 37 37 GLY C C 37 174.043 172.651 1.392 1
1 368 . 2 1 1 A 37 37 GLY HA2 H 37 3.954 4.139 -0.185 1
1 369 . 2 1 1 A 38 38 GLU N N 38 119.932 125.749 -5.817 1
1 370 . 2 1 1 A 38 38 GLU H H 38 8.057 8.892 -0.835 1
1 371 . 2 1 1 A 38 38 GLU CA C 38 56.397 55.735 0.662 1
1 372 . 2 1 1 A 38 38 GLU HA H 38 4.284 4.637 -0.353 1
1 373 . 2 1 1 A 38 38 GLU CB C 38 30.566 28.689 1.877 1
1 377 . 2 1 1 A 38 38 GLU C C 38 176.062 174.979 1.083 1
1 380 . 2 1 1 A 39 39 ASN N N 39 120.263 119.795 0.468 1
1 381 . 2 1 1 A 39 39 ASN H H 39 8.524 8.605 -0.081 1
1 382 . 2 1 1 A 39 39 ASN CA C 39 51.432 51.010 0.422 1
1 383 . 2 1 1 A 39 39 ASN HA H 39 4.986 5.146 -0.160 1
1 384 . 2 1 1 A 39 39 ASN CB C 39 39.023 41.369 -2.346 1
1 389 . 2 1 1 A 39 39 ASN C C 39 173.352 172.187 1.165 1
1 391 . 2 1 1 A 40 40 PRO CA C 40 63.132 62.614 0.518 1
1 392 . 2 1 1 A 40 40 PRO HA H 40 4.437 4.691 -0.254 1
1 393 . 2 1 1 A 40 40 PRO CB C 40 32.192 31.638 0.554 1
1 402 . 2 1 1 A 41 41 SER N N 41 116.490 120.113 -3.623 1
1 403 . 2 1 1 A 41 41 SER H H 41 8.541 8.835 -0.294 1
1 404 . 2 1 1 A 41 41 SER CA C 41 58.569 60.265 -1.696 1
1 405 . 2 1 1 A 41 41 SER CB C 41 64.089 64.020 0.069 1
1 406 . 2 1 1 A 42 42 GLY HA2 H 42 4.122 4.037 0.085 1
1 407 . 2 1 1 A 43 43 PRO CA C 43 63.258 62.606 0.652 1
1 408 . 2 1 1 A 43 43 PRO HA H 43 4.490 4.533 -0.043 1
1 409 . 2 1 1 A 43 43 PRO CB C 43 32.196 33.286 -1.090 1
1 418 . 2 1 1 A 44 44 SER N N 44 115.698 115.740 -0.042 1
1 419 . 2 1 1 A 44 44 SER H H 44 8.413 8.912 -0.499 1
1 420 . 2 1 1 A 44 44 SER CA C 44 58.408 59.585 -1.177 1
1 421 . 2 1 1 A 44 44 SER HA H 44 4.489 4.624 -0.135 1
1 422 . 2 1 1 A 44 44 SER CB C 44 63.941 65.132 -1.191 1
1 424 . 2 1 1 A 45 45 SER CA C 45 58.456 57.672 0.784 1
1 425 . 2 1 1 A 45 45 SER HA H 45 4.490 4.670 -0.180 1
1 426 . 2 1 1 A 45 45 SER CB C 45 64.115 63.385 0.730 1
1 428 . 2 1 1 A 45 45 SER C C 45 173.910 174.907 -0.997 1
1 3 . 3 1 1 A 7 7 GLY CA C 7 45.395 44.091 1.304 1
1 4 . 3 1 1 A 7 7 GLY HA3 H 7 4.028 4.077 -0.049 1
1 5 . 3 1 1 A 7 7 GLY C C 7 174.345 174.051 0.294 1
1 6 . 3 1 1 A 7 7 GLY HA2 H 7 4.028 4.072 -0.044 1
1 7 . 3 1 1 A 8 8 THR N N 8 114.076 116.054 -1.978 1
1 8 . 3 1 1 A 8 8 THR H H 8 8.041 9.036 -0.995 1
1 9 . 3 1 1 A 8 8 THR CA C 8 61.746 62.843 -1.097 1
1 10 . 3 1 1 A 8 8 THR HA H 8 4.321 3.977 0.344 1
1 11 . 3 1 1 A 8 8 THR CB C 8 69.981 67.270 2.711 1
1 17 . 3 1 1 A 8 8 THR C C 8 174.522 173.150 1.372 1
1 18 . 3 1 1 A 9 9 LYS N N 9 123.558 119.853 3.705 1
1 19 . 3 1 1 A 9 9 LYS H H 9 8.347 7.426 0.921 1
1 20 . 3 1 1 A 9 9 LYS CA C 9 56.456 54.624 1.832 1
1 21 . 3 1 1 A 9 9 LYS HA H 9 4.243 4.878 -0.635 1
1 22 . 3 1 1 A 9 9 LYS CB C 9 32.910 34.626 -1.716 1
1 29 . 3 1 1 A 9 9 LYS C C 9 176.303 174.785 1.518 1
1 34 . 3 1 1 A 10 10 GLU N N 10 121.405 125.630 -4.225 1
1 35 . 3 1 1 A 10 10 GLU H H 10 8.292 9.033 -0.741 1
1 36 . 3 1 1 A 10 10 GLU CA C 10 56.554 55.226 1.328 1
1 37 . 3 1 1 A 10 10 GLU HA H 10 4.132 4.878 -0.746 1
1 38 . 3 1 1 A 10 10 GLU CB C 10 30.305 33.218 -2.913 1
1 42 . 3 1 1 A 10 10 GLU C C 10 176.024 175.052 0.972 1
1 45 . 3 1 1 A 11 11 HIS N N 11 121.270 124.978 -3.708 1
1 46 . 3 1 1 A 11 11 HIS H H 11 8.258 8.785 -0.527 1
1 47 . 3 1 1 A 11 11 HIS CA C 11 53.734 54.013 -0.279 1
1 48 . 3 1 1 A 11 11 HIS HA H 11 4.831 4.955 -0.124 1
1 49 . 3 1 1 A 11 11 HIS CB C 11 31.178 31.112 0.066 1
1 55 . 3 1 1 A 11 11 HIS C C 11 174.107 175.235 -1.128 1
1 57 . 3 1 1 A 12 12 PRO CA C 12 63.651 64.273 -0.622 1
1 58 . 3 1 1 A 12 12 PRO HA H 12 4.301 4.291 0.010 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.098 31.490 0.608 1
1 65 . 3 1 1 A 12 12 PRO C C 12 176.381 176.096 0.285 1
1 69 . 3 1 1 A 13 13 PHE N N 13 116.995 118.436 -1.441 1
1 70 . 3 1 1 A 13 13 PHE H H 13 7.836 7.787 0.049 1
1 71 . 3 1 1 A 13 13 PHE CA C 13 57.114 56.880 0.234 1
1 72 . 3 1 1 A 13 13 PHE HA H 13 4.804 5.189 -0.385 1
1 73 . 3 1 1 A 13 13 PHE CB C 13 39.642 40.933 -1.291 1
1 85 . 3 1 1 A 13 13 PHE C C 13 174.042 174.234 -0.192 1
1 87 . 3 1 1 A 14 14 LYS N N 14 124.716 123.746 0.970 1
1 88 . 3 1 1 A 14 14 LYS H H 14 8.671 9.077 -0.406 1
1 89 . 3 1 1 A 14 14 LYS CA C 14 55.018 54.662 0.356 1
1 90 . 3 1 1 A 14 14 LYS HA H 14 4.973 5.533 -0.560 1
1 91 . 3 1 1 A 14 14 LYS CB C 14 36.127 36.351 -0.224 1
1 99 . 3 1 1 A 14 14 LYS C C 14 174.476 175.629 -1.153 1
1 104 . 3 1 1 A 15 15 CYS N N 15 127.379 125.043 2.336 1
1 105 . 3 1 1 A 15 15 CYS H H 15 9.267 9.613 -0.346 1
1 106 . 3 1 1 A 15 15 CYS CA C 15 59.230 59.841 -0.611 1
1 107 . 3 1 1 A 15 15 CYS HA H 15 4.592 4.678 -0.086 1
1 108 . 3 1 1 A 15 15 CYS CB C 15 29.614 28.629 0.985 1
1 110 . 3 1 1 A 15 15 CYS C C 15 176.798 176.360 0.438 1
1 112 . 3 1 1 A 16 16 ASN N N 16 130.287 127.536 2.751 1
1 113 . 3 1 1 A 16 16 ASN H H 16 9.447 9.450 -0.003 1
1 114 . 3 1 1 A 16 16 ASN CA C 16 55.588 54.740 0.848 1
1 115 . 3 1 1 A 16 16 ASN HA H 16 4.548 4.688 -0.140 1
1 116 . 3 1 1 A 16 16 ASN CB C 16 38.414 38.580 -0.166 1
1 121 . 3 1 1 A 16 16 ASN C C 16 175.463 176.938 -1.475 1
1 123 . 3 1 1 A 17 17 GLU N N 17 120.826 118.344 2.482 1
1 124 . 3 1 1 A 17 17 GLU H H 17 8.704 7.626 1.078 1
1 125 . 3 1 1 A 17 17 GLU CA C 17 58.511 59.098 -0.587 1
1 126 . 3 1 1 A 17 17 GLU HA H 17 4.227 3.977 0.250 1
1 127 . 3 1 1 A 17 17 GLU CB C 17 29.478 29.521 -0.043 1
1 131 . 3 1 1 A 17 17 GLU C C 17 177.096 177.865 -0.769 1
1 134 . 3 1 1 A 18 18 CYS N N 18 114.551 114.807 -0.256 1
1 135 . 3 1 1 A 18 18 CYS H H 18 7.945 7.827 0.118 1
1 136 . 3 1 1 A 18 18 CYS CA C 18 58.357 59.536 -1.179 1
1 137 . 3 1 1 A 18 18 CYS HA H 18 5.196 4.736 0.460 1
1 138 . 3 1 1 A 18 18 CYS CB C 18 32.462 30.474 1.988 1
1 140 . 3 1 1 A 18 18 CYS C C 18 176.232 175.769 0.463 1
1 142 . 3 1 1 A 19 19 GLY N N 19 113.587 109.919 3.668 1
1 143 . 3 1 1 A 19 19 GLY H H 19 8.233 7.950 0.283 1
1 144 . 3 1 1 A 19 19 GLY CA C 19 46.310 45.001 1.309 1
1 145 . 3 1 1 A 19 19 GLY HA3 H 19 4.284 4.088 0.196 1
1 146 . 3 1 1 A 19 19 GLY C C 19 173.663 174.646 -0.983 1
1 147 . 3 1 1 A 19 19 GLY HA2 H 19 3.758 4.074 -0.316 1
1 148 . 3 1 1 A 20 20 LYS N N 20 122.684 120.569 2.115 1
1 149 . 3 1 1 A 20 20 LYS H H 20 7.972 7.447 0.525 1
1 150 . 3 1 1 A 20 20 LYS CA C 20 58.156 56.654 1.502 1
1 151 . 3 1 1 A 20 20 LYS HA H 20 4.078 4.211 -0.133 1
1 152 . 3 1 1 A 20 20 LYS CB C 20 33.727 33.909 -0.182 1
1 160 . 3 1 1 A 20 20 LYS C C 20 174.656 175.496 -0.840 1
1 165 . 3 1 1 A 21 21 THR N N 21 110.579 110.995 -0.416 1
1 166 . 3 1 1 A 21 21 THR H H 21 7.609 8.337 -0.728 1
1 167 . 3 1 1 A 21 21 THR CA C 21 59.691 59.783 -0.092 1
1 168 . 3 1 1 A 21 21 THR HA H 21 5.205 5.414 -0.209 1
1 169 . 3 1 1 A 21 21 THR CB C 21 71.137 71.723 -0.586 1
1 175 . 3 1 1 A 21 21 THR C C 21 173.496 173.427 0.069 1
1 176 . 3 1 1 A 22 22 PHE N N 22 116.127 119.325 -3.198 1
1 177 . 3 1 1 A 22 22 PHE H H 22 8.683 9.275 -0.592 1
1 178 . 3 1 1 A 22 22 PHE CA C 22 56.997 56.799 0.198 1
1 179 . 3 1 1 A 22 22 PHE HA H 22 4.759 5.035 -0.276 1
1 180 . 3 1 1 A 22 22 PHE CB C 22 44.522 42.907 1.615 1
1 192 . 3 1 1 A 22 22 PHE C C 22 175.274 176.187 -0.913 1
1 194 . 3 1 1 A 23 23 SER N N 23 115.350 117.897 -2.547 1
1 195 . 3 1 1 A 23 23 SER H H 23 9.509 8.652 0.857 1
1 196 . 3 1 1 A 23 23 SER CA C 23 60.097 60.652 -0.555 1
1 197 . 3 1 1 A 23 23 SER HA H 23 4.455 4.180 0.275 1
1 198 . 3 1 1 A 23 23 SER CB C 23 64.104 62.947 1.157 1
1 201 . 3 1 1 A 24 24 HIS N N 24 117.610 120.237 -2.627 1
1 202 . 3 1 1 A 24 24 HIS H H 24 7.093 8.191 -1.098 1
1 203 . 3 1 1 A 24 24 HIS CA C 24 55.771 54.721 1.050 1
1 204 . 3 1 1 A 24 24 HIS HA H 24 4.570 5.019 -0.449 1
1 205 . 3 1 1 A 24 24 HIS CB C 24 33.304 33.221 0.083 1
1 212 . 3 1 1 A 25 25 SER H H 25 7.251 8.331 -1.080 1
1 213 . 3 1 1 A 25 25 SER CA C 25 61.178 60.621 0.557 1
1 214 . 3 1 1 A 25 25 SER HA H 25 2.986 3.096 -0.110 1
1 215 . 3 1 1 A 25 25 SER CB C 25 61.917 61.803 0.114 1
1 218 . 3 1 1 A 26 26 ALA CA C 26 54.851 55.167 -0.316 1
1 219 . 3 1 1 A 26 26 ALA HA H 26 4.129 3.871 0.258 1
1 220 . 3 1 1 A 26 26 ALA CB C 26 18.182 18.339 -0.157 1
1 224 . 3 1 1 A 26 26 ALA C C 26 180.317 179.372 0.945 1
1 225 . 3 1 1 A 27 27 HIS N N 27 116.106 115.919 0.187 1
1 226 . 3 1 1 A 27 27 HIS H H 27 6.999 7.615 -0.616 1
1 227 . 3 1 1 A 27 27 HIS CA C 27 56.588 59.324 -2.736 1
1 228 . 3 1 1 A 27 27 HIS HA H 27 4.470 4.249 0.221 1
1 229 . 3 1 1 A 27 27 HIS CB C 27 31.665 29.860 1.805 1
1 235 . 3 1 1 A 27 27 HIS C C 27 178.498 177.094 1.404 1
1 237 . 3 1 1 A 28 28 LEU N N 28 121.252 120.752 0.500 1
1 238 . 3 1 1 A 28 28 LEU H H 28 6.954 7.940 -0.986 1
1 239 . 3 1 1 A 28 28 LEU CA C 28 57.761 57.852 -0.091 1
1 240 . 3 1 1 A 28 28 LEU HA H 28 3.160 2.816 0.344 1
1 241 . 3 1 1 A 28 28 LEU CB C 28 40.366 41.715 -1.349 1
1 253 . 3 1 1 A 28 28 LEU C C 28 177.469 178.115 -0.646 1
1 255 . 3 1 1 A 29 29 SER N N 29 114.613 114.161 0.452 1
1 256 . 3 1 1 A 29 29 SER H H 29 8.258 7.857 0.401 1
1 257 . 3 1 1 A 29 29 SER CA C 29 62.389 61.509 0.880 1
1 258 . 3 1 1 A 29 29 SER HA H 29 3.861 3.995 -0.134 1
1 259 . 3 1 1 A 29 29 SER CB C 29 62.209 62.921 -0.712 1
1 261 . 3 1 1 A 29 29 SER C C 29 176.889 177.185 -0.296 1
1 263 . 3 1 1 A 30 30 LYS N N 30 120.296 121.295 -0.999 1
1 264 . 3 1 1 A 30 30 LYS H H 30 7.420 7.368 0.052 1
1 265 . 3 1 1 A 30 30 LYS CA C 30 58.898 58.843 0.055 1
1 266 . 3 1 1 A 30 30 LYS HA H 30 4.064 3.994 0.070 1
1 267 . 3 1 1 A 30 30 LYS CB C 30 32.454 32.162 0.292 1
1 275 . 3 1 1 A 30 30 LYS C C 30 178.850 178.725 0.125 1
1 280 . 3 1 1 A 31 31 HIS N N 31 119.097 119.638 -0.541 1
1 281 . 3 1 1 A 31 31 HIS H H 31 7.585 8.200 -0.615 1
1 282 . 3 1 1 A 31 31 HIS CA C 31 59.221 58.488 0.733 1
1 283 . 3 1 1 A 31 31 HIS HA H 31 4.186 4.166 0.020 1
1 284 . 3 1 1 A 31 31 HIS CB C 31 28.480 30.386 -1.906 1
1 290 . 3 1 1 A 31 31 HIS C C 31 176.309 176.964 -0.655 1
1 292 . 3 1 1 A 32 32 GLN N N 32 115.041 117.969 -2.928 1
1 293 . 3 1 1 A 32 32 GLN H H 32 8.315 7.920 0.395 1
1 294 . 3 1 1 A 32 32 GLN CA C 32 59.416 58.622 0.794 1
1 295 . 3 1 1 A 32 32 GLN HA H 32 3.715 4.161 -0.446 1
1 296 . 3 1 1 A 32 32 GLN CB C 32 28.247 28.326 -0.079 1
1 303 . 3 1 1 A 32 32 GLN C C 32 177.758 178.935 -1.177 1
1 306 . 3 1 1 A 33 33 LEU N N 33 118.894 120.255 -1.361 1
1 307 . 3 1 1 A 33 33 LEU H H 33 7.181 7.538 -0.357 1
1 308 . 3 1 1 A 33 33 LEU CA C 33 57.476 57.569 -0.093 1
1 309 . 3 1 1 A 33 33 LEU HA H 33 4.056 4.055 0.001 1
1 310 . 3 1 1 A 33 33 LEU CB C 33 41.570 41.293 0.277 1
1 322 . 3 1 1 A 33 33 LEU C C 33 179.710 179.052 0.658 1
1 324 . 3 1 1 A 34 34 ILE N N 34 116.556 115.087 1.469 1
1 325 . 3 1 1 A 34 34 ILE H H 34 7.824 7.526 0.298 1
1 326 . 3 1 1 A 34 34 ILE CA C 34 63.328 64.088 -0.760 1
1 327 . 3 1 1 A 34 34 ILE HA H 34 3.939 3.805 0.134 1
1 328 . 3 1 1 A 34 34 ILE CB C 34 37.595 37.017 0.578 1
1 340 . 3 1 1 A 34 34 ILE C C 34 177.765 177.860 -0.095 1
1 342 . 3 1 1 A 35 35 HIS N N 35 117.319 120.985 -3.666 1
1 343 . 3 1 1 A 35 35 HIS H H 35 7.053 7.917 -0.864 1
1 344 . 3 1 1 A 35 35 HIS CA C 35 55.162 60.161 -4.999 1
1 345 . 3 1 1 A 35 35 HIS HA H 35 4.793 4.209 0.584 1
1 346 . 3 1 1 A 35 35 HIS CB C 35 28.486 30.320 -1.834 1
1 352 . 3 1 1 A 35 35 HIS C C 35 175.328 177.144 -1.816 1
1 354 . 3 1 1 A 36 36 ALA N N 36 122.453 119.465 2.988 1
1 355 . 3 1 1 A 36 36 ALA H H 36 7.546 7.267 0.279 1
1 356 . 3 1 1 A 36 36 ALA CA C 36 53.295 53.605 -0.310 1
1 357 . 3 1 1 A 36 36 ALA HA H 36 4.340 4.158 0.182 1
1 358 . 3 1 1 A 36 36 ALA CB C 36 19.226 19.398 -0.172 1
1 362 . 3 1 1 A 36 36 ALA C C 36 178.109 178.110 -0.001 1
1 363 . 3 1 1 A 37 37 GLY N N 37 107.129 106.526 0.603 1
1 364 . 3 1 1 A 37 37 GLY H H 37 8.129 7.971 0.158 1
1 365 . 3 1 1 A 37 37 GLY CA C 37 45.268 46.911 -1.643 1
1 366 . 3 1 1 A 37 37 GLY HA3 H 37 3.998 3.900 0.098 1
1 367 . 3 1 1 A 37 37 GLY C C 37 174.043 174.396 -0.353 1
1 368 . 3 1 1 A 37 37 GLY HA2 H 37 3.954 3.895 0.059 1
1 369 . 3 1 1 A 38 38 GLU N N 38 119.932 118.127 1.805 1
1 370 . 3 1 1 A 38 38 GLU H H 38 8.057 8.195 -0.138 1
1 371 . 3 1 1 A 38 38 GLU CA C 38 56.397 55.652 0.745 1
1 372 . 3 1 1 A 38 38 GLU HA H 38 4.284 4.939 -0.655 1
1 373 . 3 1 1 A 38 38 GLU CB C 38 30.566 30.627 -0.061 1
1 377 . 3 1 1 A 38 38 GLU C C 38 176.062 175.461 0.601 1
1 380 . 3 1 1 A 39 39 ASN N N 39 120.263 121.682 -1.419 1
1 381 . 3 1 1 A 39 39 ASN H H 39 8.524 8.542 -0.018 1
1 382 . 3 1 1 A 39 39 ASN CA C 39 51.432 50.122 1.310 1
1 383 . 3 1 1 A 39 39 ASN HA H 39 4.986 5.090 -0.104 1
1 384 . 3 1 1 A 39 39 ASN CB C 39 39.023 41.728 -2.705 1
1 389 . 3 1 1 A 39 39 ASN C C 39 173.352 175.001 -1.649 1
1 391 . 3 1 1 A 40 40 PRO CA C 40 63.132 64.073 -0.941 1
1 392 . 3 1 1 A 40 40 PRO HA H 40 4.437 4.502 -0.065 1
1 393 . 3 1 1 A 40 40 PRO CB C 40 32.192 31.678 0.514 1
1 402 . 3 1 1 A 41 41 SER N N 41 116.490 113.861 2.629 1
1 403 . 3 1 1 A 41 41 SER H H 41 8.541 7.746 0.795 1
1 404 . 3 1 1 A 41 41 SER CA C 41 58.569 56.610 1.959 1
1 405 . 3 1 1 A 41 41 SER CB C 41 64.089 65.986 -1.897 1
1 406 . 3 1 1 A 42 42 GLY HA2 H 42 4.122 4.274 -0.152 1
1 407 . 3 1 1 A 43 43 PRO CA C 43 63.258 62.392 0.866 1
1 408 . 3 1 1 A 43 43 PRO HA H 43 4.490 4.573 -0.083 1
1 409 . 3 1 1 A 43 43 PRO CB C 43 32.196 32.815 -0.619 1
1 418 . 3 1 1 A 44 44 SER N N 44 115.698 118.596 -2.898 1
1 419 . 3 1 1 A 44 44 SER H H 44 8.413 8.436 -0.023 1
1 420 . 3 1 1 A 44 44 SER CA C 44 58.408 58.761 -0.353 1
1 421 . 3 1 1 A 44 44 SER HA H 44 4.489 4.331 0.158 1
1 422 . 3 1 1 A 44 44 SER CB C 44 63.941 63.822 0.119 1
1 424 . 3 1 1 A 45 45 SER CA C 45 58.456 60.913 -2.457 1
1 425 . 3 1 1 A 45 45 SER HA H 45 4.490 4.385 0.105 1
1 426 . 3 1 1 A 45 45 SER CB C 45 64.115 63.257 0.858 1
1 428 . 3 1 1 A 45 45 SER C C 45 173.910 173.865 0.045 1
1 3 . 4 1 1 A 7 7 GLY CA C 7 45.395 44.575 0.820 1
1 4 . 4 1 1 A 7 7 GLY HA3 H 7 4.028 4.076 -0.048 1
1 5 . 4 1 1 A 7 7 GLY C C 7 174.345 172.960 1.385 1
1 6 . 4 1 1 A 7 7 GLY HA2 H 7 4.028 4.076 -0.048 1
1 7 . 4 1 1 A 8 8 THR N N 8 114.076 110.772 3.304 1
1 8 . 4 1 1 A 8 8 THR H H 8 8.041 8.216 -0.175 1
1 9 . 4 1 1 A 8 8 THR CA C 8 61.746 60.156 1.590 1
1 10 . 4 1 1 A 8 8 THR HA H 8 4.321 5.021 -0.700 1
1 11 . 4 1 1 A 8 8 THR CB C 8 69.981 69.730 0.251 1
1 17 . 4 1 1 A 8 8 THR C C 8 174.522 173.545 0.977 1
1 18 . 4 1 1 A 9 9 LYS N N 9 123.558 124.297 -0.739 1
1 19 . 4 1 1 A 9 9 LYS H H 9 8.347 8.731 -0.384 1
1 20 . 4 1 1 A 9 9 LYS CA C 9 56.456 54.642 1.814 1
1 21 . 4 1 1 A 9 9 LYS HA H 9 4.243 4.929 -0.686 1
1 22 . 4 1 1 A 9 9 LYS CB C 9 32.910 35.996 -3.086 1
1 29 . 4 1 1 A 9 9 LYS C C 9 176.303 175.454 0.849 1
1 34 . 4 1 1 A 10 10 GLU N N 10 121.405 121.175 0.230 1
1 35 . 4 1 1 A 10 10 GLU H H 10 8.292 8.752 -0.460 1
1 36 . 4 1 1 A 10 10 GLU CA C 10 56.554 57.581 -1.027 1
1 37 . 4 1 1 A 10 10 GLU HA H 10 4.132 4.531 -0.399 1
1 38 . 4 1 1 A 10 10 GLU CB C 10 30.305 32.973 -2.668 1
1 42 . 4 1 1 A 10 10 GLU C C 10 176.024 176.971 -0.947 1
1 45 . 4 1 1 A 11 11 HIS N N 11 121.270 118.334 2.936 1
1 46 . 4 1 1 A 11 11 HIS H H 11 8.258 7.745 0.513 1
1 47 . 4 1 1 A 11 11 HIS CA C 11 53.734 55.596 -1.862 1
1 48 . 4 1 1 A 11 11 HIS HA H 11 4.831 4.642 0.189 1
1 49 . 4 1 1 A 11 11 HIS CB C 11 31.178 29.418 1.760 1
1 55 . 4 1 1 A 11 11 HIS C C 11 174.107 175.149 -1.042 1
1 57 . 4 1 1 A 12 12 PRO CA C 12 63.651 64.309 -0.658 1
1 58 . 4 1 1 A 12 12 PRO HA H 12 4.301 4.245 0.056 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.098 31.286 0.812 1
1 65 . 4 1 1 A 12 12 PRO C C 12 176.381 175.958 0.423 1
1 69 . 4 1 1 A 13 13 PHE N N 13 116.995 118.260 -1.265 1
1 70 . 4 1 1 A 13 13 PHE H H 13 7.836 7.641 0.195 1
1 71 . 4 1 1 A 13 13 PHE CA C 13 57.114 56.713 0.401 1
1 72 . 4 1 1 A 13 13 PHE HA H 13 4.804 5.321 -0.517 1
1 73 . 4 1 1 A 13 13 PHE CB C 13 39.642 42.076 -2.434 1
1 85 . 4 1 1 A 13 13 PHE C C 13 174.042 174.253 -0.211 1
1 87 . 4 1 1 A 14 14 LYS N N 14 124.716 123.518 1.198 1
1 88 . 4 1 1 A 14 14 LYS H H 14 8.671 9.045 -0.374 1
1 89 . 4 1 1 A 14 14 LYS CA C 14 55.018 54.883 0.135 1
1 90 . 4 1 1 A 14 14 LYS HA H 14 4.973 5.372 -0.399 1
1 91 . 4 1 1 A 14 14 LYS CB C 14 36.127 36.103 0.024 1
1 99 . 4 1 1 A 14 14 LYS C C 14 174.476 175.527 -1.051 1
1 104 . 4 1 1 A 15 15 CYS N N 15 127.379 125.099 2.280 1
1 105 . 4 1 1 A 15 15 CYS H H 15 9.267 9.248 0.019 1
1 106 . 4 1 1 A 15 15 CYS CA C 15 59.230 60.457 -1.227 1
1 107 . 4 1 1 A 15 15 CYS HA H 15 4.592 4.445 0.147 1
1 108 . 4 1 1 A 15 15 CYS CB C 15 29.614 28.828 0.786 1
1 110 . 4 1 1 A 15 15 CYS C C 15 176.798 175.022 1.776 1
1 112 . 4 1 1 A 16 16 ASN N N 16 130.287 125.888 4.399 1
1 113 . 4 1 1 A 16 16 ASN H H 16 9.447 8.923 0.524 1
1 114 . 4 1 1 A 16 16 ASN CA C 16 55.588 54.258 1.330 1
1 115 . 4 1 1 A 16 16 ASN HA H 16 4.548 4.761 -0.213 1
1 116 . 4 1 1 A 16 16 ASN CB C 16 38.414 39.197 -0.783 1
1 121 . 4 1 1 A 16 16 ASN C C 16 175.463 176.319 -0.856 1
1 123 . 4 1 1 A 17 17 GLU N N 17 120.826 119.002 1.824 1
1 124 . 4 1 1 A 17 17 GLU H H 17 8.704 7.718 0.986 1
1 125 . 4 1 1 A 17 17 GLU CA C 17 58.511 58.884 -0.373 1
1 126 . 4 1 1 A 17 17 GLU HA H 17 4.227 3.992 0.235 1
1 127 . 4 1 1 A 17 17 GLU CB C 17 29.478 29.366 0.112 1
1 131 . 4 1 1 A 17 17 GLU C C 17 177.096 177.832 -0.736 1
1 134 . 4 1 1 A 18 18 CYS N N 18 114.551 114.770 -0.219 1
1 135 . 4 1 1 A 18 18 CYS H H 18 7.945 7.876 0.069 1
1 136 . 4 1 1 A 18 18 CYS CA C 18 58.357 59.211 -0.854 1
1 137 . 4 1 1 A 18 18 CYS HA H 18 5.196 4.739 0.457 1
1 138 . 4 1 1 A 18 18 CYS CB C 18 32.462 30.295 2.167 1
1 140 . 4 1 1 A 18 18 CYS C C 18 176.232 175.730 0.502 1
1 142 . 4 1 1 A 19 19 GLY N N 19 113.587 109.772 3.815 1
1 143 . 4 1 1 A 19 19 GLY H H 19 8.233 8.029 0.204 1
1 144 . 4 1 1 A 19 19 GLY CA C 19 46.310 44.992 1.318 1
1 145 . 4 1 1 A 19 19 GLY HA3 H 19 4.284 4.107 0.177 1
1 146 . 4 1 1 A 19 19 GLY C C 19 173.663 174.742 -1.079 1
1 147 . 4 1 1 A 19 19 GLY HA2 H 19 3.758 4.091 -0.333 1
1 148 . 4 1 1 A 20 20 LYS N N 20 122.684 120.627 2.057 1
1 149 . 4 1 1 A 20 20 LYS H H 20 7.972 7.508 0.464 1
1 150 . 4 1 1 A 20 20 LYS CA C 20 58.156 56.825 1.331 1
1 151 . 4 1 1 A 20 20 LYS HA H 20 4.078 4.183 -0.105 1
1 152 . 4 1 1 A 20 20 LYS CB C 20 33.727 33.820 -0.093 1
1 160 . 4 1 1 A 20 20 LYS C C 20 174.656 175.434 -0.778 1
1 165 . 4 1 1 A 21 21 THR N N 21 110.579 111.411 -0.832 1
1 166 . 4 1 1 A 21 21 THR H H 21 7.609 8.299 -0.690 1
1 167 . 4 1 1 A 21 21 THR CA C 21 59.691 60.044 -0.353 1
1 168 . 4 1 1 A 21 21 THR HA H 21 5.205 5.386 -0.181 1
1 169 . 4 1 1 A 21 21 THR CB C 21 71.137 71.260 -0.123 1
1 175 . 4 1 1 A 21 21 THR C C 21 173.496 173.268 0.228 1
1 176 . 4 1 1 A 22 22 PHE N N 22 116.127 119.909 -3.782 1
1 177 . 4 1 1 A 22 22 PHE H H 22 8.683 9.402 -0.719 1
1 178 . 4 1 1 A 22 22 PHE CA C 22 56.997 57.212 -0.215 1
1 179 . 4 1 1 A 22 22 PHE HA H 22 4.759 5.193 -0.434 1
1 180 . 4 1 1 A 22 22 PHE CB C 22 44.522 42.727 1.795 1
1 192 . 4 1 1 A 22 22 PHE C C 22 175.274 176.039 -0.765 1
1 194 . 4 1 1 A 23 23 SER N N 23 115.350 118.562 -3.212 1
1 195 . 4 1 1 A 23 23 SER H H 23 9.509 8.845 0.664 1
1 196 . 4 1 1 A 23 23 SER CA C 23 60.097 61.610 -1.513 1
1 197 . 4 1 1 A 23 23 SER HA H 23 4.455 4.248 0.207 1
1 198 . 4 1 1 A 23 23 SER CB C 23 64.104 63.141 0.963 1
1 201 . 4 1 1 A 24 24 HIS N N 24 117.610 116.837 0.773 1
1 202 . 4 1 1 A 24 24 HIS H H 24 7.093 8.459 -1.366 1
1 203 . 4 1 1 A 24 24 HIS CA C 24 55.771 55.869 -0.098 1
1 204 . 4 1 1 A 24 24 HIS HA H 24 4.570 5.036 -0.466 1
1 205 . 4 1 1 A 24 24 HIS CB C 24 33.304 31.899 1.405 1
1 212 . 4 1 1 A 25 25 SER H H 25 7.251 8.622 -1.371 1
1 213 . 4 1 1 A 25 25 SER CA C 25 61.178 60.574 0.604 1
1 214 . 4 1 1 A 25 25 SER HA H 25 2.986 2.937 0.049 1
1 215 . 4 1 1 A 25 25 SER CB C 25 61.917 61.782 0.135 1
1 218 . 4 1 1 A 26 26 ALA CA C 26 54.851 55.101 -0.250 1
1 219 . 4 1 1 A 26 26 ALA HA H 26 4.129 3.860 0.269 1
1 220 . 4 1 1 A 26 26 ALA CB C 26 18.182 18.364 -0.182 1
1 224 . 4 1 1 A 26 26 ALA C C 26 180.317 179.322 0.995 1
1 225 . 4 1 1 A 27 27 HIS N N 27 116.106 115.719 0.387 1
1 226 . 4 1 1 A 27 27 HIS H H 27 6.999 7.576 -0.577 1
1 227 . 4 1 1 A 27 27 HIS CA C 27 56.588 59.409 -2.821 1
1 228 . 4 1 1 A 27 27 HIS HA H 27 4.470 4.281 0.189 1
1 229 . 4 1 1 A 27 27 HIS CB C 27 31.665 30.137 1.528 1
1 235 . 4 1 1 A 27 27 HIS C C 27 178.498 177.151 1.347 1
1 237 . 4 1 1 A 28 28 LEU N N 28 121.252 121.204 0.048 1
1 238 . 4 1 1 A 28 28 LEU H H 28 6.954 7.940 -0.986 1
1 239 . 4 1 1 A 28 28 LEU CA C 28 57.761 57.916 -0.155 1
1 240 . 4 1 1 A 28 28 LEU HA H 28 3.160 2.956 0.204 1
1 241 . 4 1 1 A 28 28 LEU CB C 28 40.366 41.726 -1.360 1
1 253 . 4 1 1 A 28 28 LEU C C 28 177.469 178.183 -0.714 1
1 255 . 4 1 1 A 29 29 SER N N 29 114.613 114.121 0.492 1
1 256 . 4 1 1 A 29 29 SER H H 29 8.258 7.967 0.291 1
1 257 . 4 1 1 A 29 29 SER CA C 29 62.389 61.494 0.895 1
1 258 . 4 1 1 A 29 29 SER HA H 29 3.861 4.024 -0.163 1
1 259 . 4 1 1 A 29 29 SER CB C 29 62.209 62.931 -0.722 1
1 261 . 4 1 1 A 29 29 SER C C 29 176.889 177.077 -0.188 1
1 263 . 4 1 1 A 30 30 LYS N N 30 120.296 121.019 -0.723 1
1 264 . 4 1 1 A 30 30 LYS H H 30 7.420 7.268 0.152 1
1 265 . 4 1 1 A 30 30 LYS CA C 30 58.898 58.997 -0.099 1
1 266 . 4 1 1 A 30 30 LYS HA H 30 4.064 4.007 0.057 1
1 267 . 4 1 1 A 30 30 LYS CB C 30 32.454 32.339 0.115 1
1 275 . 4 1 1 A 30 30 LYS C C 30 178.850 178.804 0.046 1
1 280 . 4 1 1 A 31 31 HIS N N 31 119.097 119.837 -0.740 1
1 281 . 4 1 1 A 31 31 HIS H H 31 7.585 8.008 -0.423 1
1 282 . 4 1 1 A 31 31 HIS CA C 31 59.221 58.992 0.229 1
1 283 . 4 1 1 A 31 31 HIS HA H 31 4.186 4.134 0.052 1
1 284 . 4 1 1 A 31 31 HIS CB C 31 28.480 30.040 -1.560 1
1 290 . 4 1 1 A 31 31 HIS C C 31 176.309 176.861 -0.552 1
1 292 . 4 1 1 A 32 32 GLN N N 32 115.041 118.048 -3.007 1
1 293 . 4 1 1 A 32 32 GLN H H 32 8.315 7.848 0.467 1
1 294 . 4 1 1 A 32 32 GLN CA C 32 59.416 58.593 0.823 1
1 295 . 4 1 1 A 32 32 GLN HA H 32 3.715 4.132 -0.417 1
1 296 . 4 1 1 A 32 32 GLN CB C 32 28.247 28.376 -0.129 1
1 303 . 4 1 1 A 32 32 GLN C C 32 177.758 178.946 -1.188 1
1 306 . 4 1 1 A 33 33 LEU N N 33 118.894 120.147 -1.253 1
1 307 . 4 1 1 A 33 33 LEU H H 33 7.181 7.715 -0.534 1
1 308 . 4 1 1 A 33 33 LEU CA C 33 57.476 57.739 -0.263 1
1 309 . 4 1 1 A 33 33 LEU HA H 33 4.056 4.039 0.017 1
1 310 . 4 1 1 A 33 33 LEU CB C 33 41.570 41.283 0.287 1
1 322 . 4 1 1 A 33 33 LEU C C 33 179.710 179.206 0.504 1
1 324 . 4 1 1 A 34 34 ILE N N 34 116.556 114.946 1.610 1
1 325 . 4 1 1 A 34 34 ILE H H 34 7.824 7.630 0.194 1
1 326 . 4 1 1 A 34 34 ILE CA C 34 63.328 64.331 -1.003 1
1 327 . 4 1 1 A 34 34 ILE HA H 34 3.939 3.814 0.125 1
1 328 . 4 1 1 A 34 34 ILE CB C 34 37.595 37.099 0.496 1
1 340 . 4 1 1 A 34 34 ILE C C 34 177.765 177.999 -0.234 1
1 342 . 4 1 1 A 35 35 HIS N N 35 117.319 120.434 -3.115 1
1 343 . 4 1 1 A 35 35 HIS H H 35 7.053 7.477 -0.424 1
1 344 . 4 1 1 A 35 35 HIS CA C 35 55.162 59.757 -4.595 1
1 345 . 4 1 1 A 35 35 HIS HA H 35 4.793 4.180 0.613 1
1 346 . 4 1 1 A 35 35 HIS CB C 35 28.486 30.073 -1.587 1
1 352 . 4 1 1 A 35 35 HIS C C 35 175.328 175.646 -0.318 1
1 354 . 4 1 1 A 36 36 ALA N N 36 122.453 120.711 1.742 1
1 355 . 4 1 1 A 36 36 ALA H H 36 7.546 7.294 0.252 1
1 356 . 4 1 1 A 36 36 ALA CA C 36 53.295 51.410 1.885 1
1 357 . 4 1 1 A 36 36 ALA HA H 36 4.340 4.376 -0.036 1
1 358 . 4 1 1 A 36 36 ALA CB C 36 19.226 20.115 -0.889 1
1 362 . 4 1 1 A 36 36 ALA C C 36 178.109 177.636 0.473 1
1 363 . 4 1 1 A 37 37 GLY N N 37 107.129 108.433 -1.304 1
1 364 . 4 1 1 A 37 37 GLY H H 37 8.129 8.919 -0.790 1
1 365 . 4 1 1 A 37 37 GLY CA C 37 45.268 46.839 -1.571 1
1 366 . 4 1 1 A 37 37 GLY HA3 H 37 3.998 3.879 0.119 1
1 367 . 4 1 1 A 37 37 GLY C C 37 174.043 174.655 -0.612 1
1 368 . 4 1 1 A 37 37 GLY HA2 H 37 3.954 3.875 0.079 1
1 369 . 4 1 1 A 38 38 GLU N N 38 119.932 117.252 2.680 1
1 370 . 4 1 1 A 38 38 GLU H H 38 8.057 8.398 -0.341 1
1 371 . 4 1 1 A 38 38 GLU CA C 38 56.397 57.707 -1.310 1
1 372 . 4 1 1 A 38 38 GLU HA H 38 4.284 4.465 -0.181 1
1 373 . 4 1 1 A 38 38 GLU CB C 38 30.566 31.439 -0.873 1
1 377 . 4 1 1 A 38 38 GLU C C 38 176.062 176.313 -0.251 1
1 380 . 4 1 1 A 39 39 ASN N N 39 120.263 115.617 4.646 1
1 381 . 4 1 1 A 39 39 ASN H H 39 8.524 7.908 0.616 1
1 382 . 4 1 1 A 39 39 ASN CA C 39 51.432 50.559 0.873 1
1 383 . 4 1 1 A 39 39 ASN HA H 39 4.986 5.133 -0.147 1
1 384 . 4 1 1 A 39 39 ASN CB C 39 39.023 41.879 -2.856 1
1 389 . 4 1 1 A 39 39 ASN C C 39 173.352 172.430 0.922 1
1 391 . 4 1 1 A 40 40 PRO CA C 40 63.132 62.671 0.461 1
1 392 . 4 1 1 A 40 40 PRO HA H 40 4.437 4.701 -0.264 1
1 393 . 4 1 1 A 40 40 PRO CB C 40 32.192 32.602 -0.410 1
1 402 . 4 1 1 A 41 41 SER N N 41 116.490 117.416 -0.926 1
1 403 . 4 1 1 A 41 41 SER H H 41 8.541 8.578 -0.037 1
1 404 . 4 1 1 A 41 41 SER CA C 41 58.569 57.557 1.012 1
1 405 . 4 1 1 A 41 41 SER CB C 41 64.089 66.402 -2.313 1
1 406 . 4 1 1 A 42 42 GLY HA2 H 42 4.122 4.219 -0.097 1
1 407 . 4 1 1 A 43 43 PRO CA C 43 63.258 62.861 0.397 1
1 408 . 4 1 1 A 43 43 PRO HA H 43 4.490 4.468 0.022 1
1 409 . 4 1 1 A 43 43 PRO CB C 43 32.196 31.981 0.215 1
1 418 . 4 1 1 A 44 44 SER N N 44 115.698 115.601 0.097 1
1 419 . 4 1 1 A 44 44 SER H H 44 8.413 8.316 0.097 1
1 420 . 4 1 1 A 44 44 SER CA C 44 58.408 57.555 0.853 1
1 421 . 4 1 1 A 44 44 SER HA H 44 4.489 4.541 -0.052 1
1 422 . 4 1 1 A 44 44 SER CB C 44 63.941 64.731 -0.790 1
1 424 . 4 1 1 A 45 45 SER CA C 45 58.456 60.063 -1.607 1
1 425 . 4 1 1 A 45 45 SER HA H 45 4.490 4.251 0.239 1
1 426 . 4 1 1 A 45 45 SER CB C 45 64.115 62.379 1.736 1
1 428 . 4 1 1 A 45 45 SER C C 45 173.910 175.059 -1.149 1
1 3 . 5 1 1 A 7 7 GLY CA C 7 45.395 45.911 -0.516 1
1 4 . 5 1 1 A 7 7 GLY HA3 H 7 4.028 4.035 -0.007 1
1 5 . 5 1 1 A 7 7 GLY C C 7 174.345 174.416 -0.071 1
1 6 . 5 1 1 A 7 7 GLY HA2 H 7 4.028 4.034 -0.006 1
1 7 . 5 1 1 A 8 8 THR N N 8 114.076 115.078 -1.002 1
1 8 . 5 1 1 A 8 8 THR H H 8 8.041 7.859 0.182 1
1 9 . 5 1 1 A 8 8 THR CA C 8 61.746 60.482 1.264 1
1 10 . 5 1 1 A 8 8 THR HA H 8 4.321 4.735 -0.414 1
1 11 . 5 1 1 A 8 8 THR CB C 8 69.981 70.798 -0.817 1
1 17 . 5 1 1 A 8 8 THR C C 8 174.522 174.319 0.203 1
1 18 . 5 1 1 A 9 9 LYS N N 9 123.558 126.185 -2.627 1
1 19 . 5 1 1 A 9 9 LYS H H 9 8.347 8.483 -0.136 1
1 20 . 5 1 1 A 9 9 LYS CA C 9 56.456 57.198 -0.742 1
1 21 . 5 1 1 A 9 9 LYS HA H 9 4.243 4.311 -0.068 1
1 22 . 5 1 1 A 9 9 LYS CB C 9 32.910 33.231 -0.321 1
1 29 . 5 1 1 A 9 9 LYS C C 9 176.303 175.862 0.441 1
1 34 . 5 1 1 A 10 10 GLU N N 10 121.405 121.838 -0.433 1
1 35 . 5 1 1 A 10 10 GLU H H 10 8.292 8.980 -0.688 1
1 36 . 5 1 1 A 10 10 GLU CA C 10 56.554 54.250 2.304 1
1 37 . 5 1 1 A 10 10 GLU HA H 10 4.132 4.712 -0.580 1
1 38 . 5 1 1 A 10 10 GLU CB C 10 30.305 33.815 -3.510 1
1 42 . 5 1 1 A 10 10 GLU C C 10 176.024 176.363 -0.339 1
1 45 . 5 1 1 A 11 11 HIS N N 11 121.270 119.307 1.963 1
1 46 . 5 1 1 A 11 11 HIS H H 11 8.258 8.303 -0.045 1
1 47 . 5 1 1 A 11 11 HIS CA C 11 53.734 55.456 -1.722 1
1 48 . 5 1 1 A 11 11 HIS HA H 11 4.831 4.620 0.211 1
1 49 . 5 1 1 A 11 11 HIS CB C 11 31.178 29.414 1.764 1
1 55 . 5 1 1 A 11 11 HIS C C 11 174.107 175.624 -1.517 1
1 57 . 5 1 1 A 12 12 PRO CA C 12 63.651 64.294 -0.643 1
1 58 . 5 1 1 A 12 12 PRO HA H 12 4.301 4.187 0.114 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.098 31.229 0.869 1
1 65 . 5 1 1 A 12 12 PRO C C 12 176.381 176.064 0.317 1
1 69 . 5 1 1 A 13 13 PHE N N 13 116.995 118.407 -1.412 1
1 70 . 5 1 1 A 13 13 PHE H H 13 7.836 7.601 0.235 1
1 71 . 5 1 1 A 13 13 PHE CA C 13 57.114 56.561 0.553 1
1 72 . 5 1 1 A 13 13 PHE HA H 13 4.804 5.230 -0.426 1
1 73 . 5 1 1 A 13 13 PHE CB C 13 39.642 40.874 -1.232 1
1 85 . 5 1 1 A 13 13 PHE C C 13 174.042 174.129 -0.087 1
1 87 . 5 1 1 A 14 14 LYS N N 14 124.716 124.493 0.223 1
1 88 . 5 1 1 A 14 14 LYS H H 14 8.671 9.117 -0.446 1
1 89 . 5 1 1 A 14 14 LYS CA C 14 55.018 54.687 0.331 1
1 90 . 5 1 1 A 14 14 LYS HA H 14 4.973 5.532 -0.559 1
1 91 . 5 1 1 A 14 14 LYS CB C 14 36.127 35.787 0.340 1
1 99 . 5 1 1 A 14 14 LYS C C 14 174.476 175.759 -1.283 1
1 104 . 5 1 1 A 15 15 CYS N N 15 127.379 125.241 2.138 1
1 105 . 5 1 1 A 15 15 CYS H H 15 9.267 9.432 -0.165 1
1 106 . 5 1 1 A 15 15 CYS CA C 15 59.230 60.283 -1.053 1
1 107 . 5 1 1 A 15 15 CYS HA H 15 4.592 4.559 0.033 1
1 108 . 5 1 1 A 15 15 CYS CB C 15 29.614 28.489 1.125 1
1 110 . 5 1 1 A 15 15 CYS C C 15 176.798 174.976 1.822 1
1 112 . 5 1 1 A 16 16 ASN N N 16 130.287 125.858 4.429 1
1 113 . 5 1 1 A 16 16 ASN H H 16 9.447 8.986 0.461 1
1 114 . 5 1 1 A 16 16 ASN CA C 16 55.588 54.376 1.212 1
1 115 . 5 1 1 A 16 16 ASN HA H 16 4.548 4.758 -0.210 1
1 116 . 5 1 1 A 16 16 ASN CB C 16 38.414 39.193 -0.779 1
1 121 . 5 1 1 A 16 16 ASN C C 16 175.463 176.549 -1.086 1
1 123 . 5 1 1 A 17 17 GLU N N 17 120.826 119.303 1.523 1
1 124 . 5 1 1 A 17 17 GLU H H 17 8.704 7.741 0.963 1
1 125 . 5 1 1 A 17 17 GLU CA C 17 58.511 59.008 -0.497 1
1 126 . 5 1 1 A 17 17 GLU HA H 17 4.227 3.969 0.258 1
1 127 . 5 1 1 A 17 17 GLU CB C 17 29.478 29.520 -0.042 1
1 131 . 5 1 1 A 17 17 GLU C C 17 177.096 177.913 -0.817 1
1 134 . 5 1 1 A 18 18 CYS N N 18 114.551 115.204 -0.653 1
1 135 . 5 1 1 A 18 18 CYS H H 18 7.945 7.931 0.014 1
1 136 . 5 1 1 A 18 18 CYS CA C 18 58.357 59.556 -1.199 1
1 137 . 5 1 1 A 18 18 CYS HA H 18 5.196 4.722 0.474 1
1 138 . 5 1 1 A 18 18 CYS CB C 18 32.462 30.073 2.389 1
1 140 . 5 1 1 A 18 18 CYS C C 18 176.232 175.642 0.590 1
1 142 . 5 1 1 A 19 19 GLY N N 19 113.587 109.936 3.651 1
1 143 . 5 1 1 A 19 19 GLY H H 19 8.233 8.062 0.171 1
1 144 . 5 1 1 A 19 19 GLY CA C 19 46.310 45.106 1.204 1
1 145 . 5 1 1 A 19 19 GLY HA3 H 19 4.284 4.102 0.182 1
1 146 . 5 1 1 A 19 19 GLY C C 19 173.663 174.413 -0.750 1
1 147 . 5 1 1 A 19 19 GLY HA2 H 19 3.758 4.090 -0.332 1
1 148 . 5 1 1 A 20 20 LYS N N 20 122.684 120.100 2.584 1
1 149 . 5 1 1 A 20 20 LYS H H 20 7.972 7.387 0.585 1
1 150 . 5 1 1 A 20 20 LYS CA C 20 58.156 55.928 2.228 1
1 151 . 5 1 1 A 20 20 LYS HA H 20 4.078 4.403 -0.325 1
1 152 . 5 1 1 A 20 20 LYS CB C 20 33.727 34.468 -0.741 1
1 160 . 5 1 1 A 20 20 LYS C C 20 174.656 175.490 -0.834 1
1 165 . 5 1 1 A 21 21 THR N N 21 110.579 111.497 -0.918 1
1 166 . 5 1 1 A 21 21 THR H H 21 7.609 8.433 -0.824 1
1 167 . 5 1 1 A 21 21 THR CA C 21 59.691 59.895 -0.204 1
1 168 . 5 1 1 A 21 21 THR HA H 21 5.205 5.469 -0.264 1
1 169 . 5 1 1 A 21 21 THR CB C 21 71.137 71.732 -0.595 1
1 175 . 5 1 1 A 21 21 THR C C 21 173.496 173.210 0.286 1
1 176 . 5 1 1 A 22 22 PHE N N 22 116.127 119.368 -3.241 1
1 177 . 5 1 1 A 22 22 PHE H H 22 8.683 9.319 -0.636 1
1 178 . 5 1 1 A 22 22 PHE CA C 22 56.997 56.943 0.054 1
1 179 . 5 1 1 A 22 22 PHE HA H 22 4.759 4.777 -0.018 1
1 180 . 5 1 1 A 22 22 PHE CB C 22 44.522 42.545 1.977 1
1 192 . 5 1 1 A 22 22 PHE C C 22 175.274 175.983 -0.709 1
1 194 . 5 1 1 A 23 23 SER N N 23 115.350 117.235 -1.885 1
1 195 . 5 1 1 A 23 23 SER H H 23 9.509 8.398 1.111 1
1 196 . 5 1 1 A 23 23 SER CA C 23 60.097 61.398 -1.301 1
1 197 . 5 1 1 A 23 23 SER HA H 23 4.455 4.079 0.376 1
1 198 . 5 1 1 A 23 23 SER CB C 23 64.104 62.353 1.751 1
1 201 . 5 1 1 A 24 24 HIS N N 24 117.610 118.500 -0.890 1
1 202 . 5 1 1 A 24 24 HIS H H 24 7.093 8.287 -1.194 1
1 203 . 5 1 1 A 24 24 HIS CA C 24 55.771 55.920 -0.149 1
1 204 . 5 1 1 A 24 24 HIS HA H 24 4.570 4.928 -0.358 1
1 205 . 5 1 1 A 24 24 HIS CB C 24 33.304 31.914 1.390 1
1 212 . 5 1 1 A 25 25 SER H H 25 7.251 8.524 -1.273 1
1 213 . 5 1 1 A 25 25 SER CA C 25 61.178 60.522 0.656 1
1 214 . 5 1 1 A 25 25 SER HA H 25 2.986 2.921 0.065 1
1 215 . 5 1 1 A 25 25 SER CB C 25 61.917 61.644 0.273 1
1 218 . 5 1 1 A 26 26 ALA CA C 26 54.851 55.121 -0.270 1
1 219 . 5 1 1 A 26 26 ALA HA H 26 4.129 3.826 0.303 1
1 220 . 5 1 1 A 26 26 ALA CB C 26 18.182 18.146 0.036 1
1 224 . 5 1 1 A 26 26 ALA C C 26 180.317 179.321 0.996 1
1 225 . 5 1 1 A 27 27 HIS N N 27 116.106 115.983 0.123 1
1 226 . 5 1 1 A 27 27 HIS H H 27 6.999 7.684 -0.685 1
1 227 . 5 1 1 A 27 27 HIS CA C 27 56.588 59.277 -2.689 1
1 228 . 5 1 1 A 27 27 HIS HA H 27 4.470 4.258 0.212 1
1 229 . 5 1 1 A 27 27 HIS CB C 27 31.665 29.988 1.677 1
1 235 . 5 1 1 A 27 27 HIS C C 27 178.498 177.250 1.248 1
1 237 . 5 1 1 A 28 28 LEU N N 28 121.252 120.959 0.293 1
1 238 . 5 1 1 A 28 28 LEU H H 28 6.954 7.749 -0.795 1
1 239 . 5 1 1 A 28 28 LEU CA C 28 57.761 57.806 -0.045 1
1 240 . 5 1 1 A 28 28 LEU HA H 28 3.160 2.895 0.265 1
1 241 . 5 1 1 A 28 28 LEU CB C 28 40.366 41.634 -1.268 1
1 253 . 5 1 1 A 28 28 LEU C C 28 177.469 178.125 -0.656 1
1 255 . 5 1 1 A 29 29 SER N N 29 114.613 113.541 1.072 1
1 256 . 5 1 1 A 29 29 SER H H 29 8.258 8.340 -0.082 1
1 257 . 5 1 1 A 29 29 SER CA C 29 62.389 61.402 0.987 1
1 258 . 5 1 1 A 29 29 SER HA H 29 3.861 4.047 -0.186 1
1 259 . 5 1 1 A 29 29 SER CB C 29 62.209 62.645 -0.436 1
1 261 . 5 1 1 A 29 29 SER C C 29 176.889 176.651 0.238 1
1 263 . 5 1 1 A 30 30 LYS N N 30 120.296 122.134 -1.838 1
1 264 . 5 1 1 A 30 30 LYS H H 30 7.420 7.517 -0.097 1
1 265 . 5 1 1 A 30 30 LYS CA C 30 58.898 58.882 0.016 1
1 266 . 5 1 1 A 30 30 LYS HA H 30 4.064 3.959 0.105 1
1 267 . 5 1 1 A 30 30 LYS CB C 30 32.454 32.046 0.408 1
1 275 . 5 1 1 A 30 30 LYS C C 30 178.850 178.642 0.208 1
1 280 . 5 1 1 A 31 31 HIS N N 31 119.097 119.829 -0.732 1
1 281 . 5 1 1 A 31 31 HIS H H 31 7.585 8.182 -0.597 1
1 282 . 5 1 1 A 31 31 HIS CA C 31 59.221 58.855 0.366 1
1 283 . 5 1 1 A 31 31 HIS HA H 31 4.186 4.129 0.057 1
1 284 . 5 1 1 A 31 31 HIS CB C 31 28.480 29.932 -1.452 1
1 290 . 5 1 1 A 31 31 HIS C C 31 176.309 176.930 -0.621 1
1 292 . 5 1 1 A 32 32 GLN N N 32 115.041 118.068 -3.027 1
1 293 . 5 1 1 A 32 32 GLN H H 32 8.315 7.737 0.578 1
1 294 . 5 1 1 A 32 32 GLN CA C 32 59.416 58.547 0.869 1
1 295 . 5 1 1 A 32 32 GLN HA H 32 3.715 4.145 -0.430 1
1 296 . 5 1 1 A 32 32 GLN CB C 32 28.247 28.304 -0.057 1
1 303 . 5 1 1 A 32 32 GLN C C 32 177.758 179.082 -1.324 1
1 306 . 5 1 1 A 33 33 LEU N N 33 118.894 120.317 -1.423 1
1 307 . 5 1 1 A 33 33 LEU H H 33 7.181 7.500 -0.319 1
1 308 . 5 1 1 A 33 33 LEU CA C 33 57.476 57.744 -0.268 1
1 309 . 5 1 1 A 33 33 LEU HA H 33 4.056 4.050 0.006 1
1 310 . 5 1 1 A 33 33 LEU CB C 33 41.570 41.195 0.375 1
1 322 . 5 1 1 A 33 33 LEU C C 33 179.710 179.140 0.570 1
1 324 . 5 1 1 A 34 34 ILE N N 34 116.556 115.118 1.438 1
1 325 . 5 1 1 A 34 34 ILE H H 34 7.824 7.566 0.258 1
1 326 . 5 1 1 A 34 34 ILE CA C 34 63.328 64.022 -0.694 1
1 327 . 5 1 1 A 34 34 ILE HA H 34 3.939 3.810 0.129 1
1 328 . 5 1 1 A 34 34 ILE CB C 34 37.595 36.868 0.727 1
1 340 . 5 1 1 A 34 34 ILE C C 34 177.765 177.857 -0.092 1
1 342 . 5 1 1 A 35 35 HIS N N 35 117.319 119.917 -2.598 1
1 343 . 5 1 1 A 35 35 HIS H H 35 7.053 7.792 -0.739 1
1 344 . 5 1 1 A 35 35 HIS CA C 35 55.162 59.475 -4.313 1
1 345 . 5 1 1 A 35 35 HIS HA H 35 4.793 4.245 0.548 1
1 346 . 5 1 1 A 35 35 HIS CB C 35 28.486 30.372 -1.886 1
1 352 . 5 1 1 A 35 35 HIS C C 35 175.328 176.427 -1.099 1
1 354 . 5 1 1 A 36 36 ALA N N 36 122.453 119.243 3.210 1
1 355 . 5 1 1 A 36 36 ALA H H 36 7.546 7.222 0.324 1
1 356 . 5 1 1 A 36 36 ALA CA C 36 53.295 51.207 2.088 1
1 357 . 5 1 1 A 36 36 ALA HA H 36 4.340 4.292 0.048 1
1 358 . 5 1 1 A 36 36 ALA CB C 36 19.226 17.949 1.277 1
1 362 . 5 1 1 A 36 36 ALA C C 36 178.109 177.698 0.411 1
1 363 . 5 1 1 A 37 37 GLY N N 37 107.129 109.368 -2.239 1
1 364 . 5 1 1 A 37 37 GLY H H 37 8.129 8.575 -0.446 1
1 365 . 5 1 1 A 37 37 GLY CA C 37 45.268 46.706 -1.438 1
1 366 . 5 1 1 A 37 37 GLY HA3 H 37 3.998 3.848 0.150 1
1 367 . 5 1 1 A 37 37 GLY C C 37 174.043 174.563 -0.520 1
1 368 . 5 1 1 A 37 37 GLY HA2 H 37 3.954 3.846 0.108 1
1 369 . 5 1 1 A 38 38 GLU N N 38 119.932 122.749 -2.817 1
1 370 . 5 1 1 A 38 38 GLU H H 38 8.057 8.762 -0.705 1
1 371 . 5 1 1 A 38 38 GLU CA C 38 56.397 57.326 -0.929 1
1 372 . 5 1 1 A 38 38 GLU HA H 38 4.284 4.031 0.253 1
1 373 . 5 1 1 A 38 38 GLU CB C 38 30.566 27.471 3.095 1
1 377 . 5 1 1 A 38 38 GLU C C 38 176.062 175.129 0.933 1
1 380 . 5 1 1 A 39 39 ASN N N 39 120.263 115.761 4.502 1
1 381 . 5 1 1 A 39 39 ASN H H 39 8.524 7.685 0.839 1
1 382 . 5 1 1 A 39 39 ASN CA C 39 51.432 50.330 1.102 1
1 383 . 5 1 1 A 39 39 ASN HA H 39 4.986 5.247 -0.261 1
1 384 . 5 1 1 A 39 39 ASN CB C 39 39.023 40.616 -1.593 1
1 389 . 5 1 1 A 39 39 ASN C C 39 173.352 174.871 -1.519 1
1 391 . 5 1 1 A 40 40 PRO CA C 40 63.132 63.648 -0.516 1
1 392 . 5 1 1 A 40 40 PRO HA H 40 4.437 4.522 -0.085 1
1 393 . 5 1 1 A 40 40 PRO CB C 40 32.192 31.729 0.463 1
1 402 . 5 1 1 A 41 41 SER N N 41 116.490 115.700 0.790 1
1 403 . 5 1 1 A 41 41 SER H H 41 8.541 7.885 0.656 1
1 404 . 5 1 1 A 41 41 SER CA C 41 58.569 58.846 -0.277 1
1 405 . 5 1 1 A 41 41 SER CB C 41 64.089 64.654 -0.565 1
1 406 . 5 1 1 A 42 42 GLY HA2 H 42 4.122 4.224 -0.102 1
1 407 . 5 1 1 A 43 43 PRO CA C 43 63.258 62.598 0.660 1
1 408 . 5 1 1 A 43 43 PRO HA H 43 4.490 4.731 -0.241 1
1 409 . 5 1 1 A 43 43 PRO CB C 43 32.196 31.858 0.338 1
1 418 . 5 1 1 A 44 44 SER N N 44 115.698 118.945 -3.247 1
1 419 . 5 1 1 A 44 44 SER H H 44 8.413 8.873 -0.460 1
1 420 . 5 1 1 A 44 44 SER CA C 44 58.408 59.909 -1.501 1
1 421 . 5 1 1 A 44 44 SER HA H 44 4.489 4.593 -0.104 1
1 422 . 5 1 1 A 44 44 SER CB C 44 63.941 64.744 -0.803 1
1 424 . 5 1 1 A 45 45 SER CA C 45 58.456 56.426 2.030 1
1 425 . 5 1 1 A 45 45 SER HA H 45 4.490 4.943 -0.453 1
1 426 . 5 1 1 A 45 45 SER CB C 45 64.115 65.841 -1.726 1
1 428 . 5 1 1 A 45 45 SER C C 45 173.910 173.575 0.335 1
1 3 . 6 1 1 A 7 7 GLY CA C 7 45.395 44.745 0.650 1
1 4 . 6 1 1 A 7 7 GLY HA3 H 7 4.028 4.044 -0.016 1
1 5 . 6 1 1 A 7 7 GLY C C 7 174.345 172.622 1.723 1
1 6 . 6 1 1 A 7 7 GLY HA2 H 7 4.028 4.044 -0.016 1
1 7 . 6 1 1 A 8 8 THR N N 8 114.076 118.582 -4.506 1
1 8 . 6 1 1 A 8 8 THR H H 8 8.041 8.449 -0.408 1
1 9 . 6 1 1 A 8 8 THR CA C 8 61.746 60.160 1.586 1
1 10 . 6 1 1 A 8 8 THR HA H 8 4.321 4.932 -0.611 1
1 11 . 6 1 1 A 8 8 THR CB C 8 69.981 71.007 -1.026 1
1 17 . 6 1 1 A 8 8 THR C C 8 174.522 172.809 1.713 1
1 18 . 6 1 1 A 9 9 LYS N N 9 123.558 127.791 -4.233 1
1 19 . 6 1 1 A 9 9 LYS H H 9 8.347 8.860 -0.513 1
1 20 . 6 1 1 A 9 9 LYS CA C 9 56.456 55.862 0.594 1
1 21 . 6 1 1 A 9 9 LYS HA H 9 4.243 4.628 -0.385 1
1 22 . 6 1 1 A 9 9 LYS CB C 9 32.910 31.313 1.597 1
1 29 . 6 1 1 A 9 9 LYS C C 9 176.303 174.766 1.537 1
1 34 . 6 1 1 A 10 10 GLU N N 10 121.405 124.258 -2.853 1
1 35 . 6 1 1 A 10 10 GLU H H 10 8.292 8.299 -0.007 1
1 36 . 6 1 1 A 10 10 GLU CA C 10 56.554 54.571 1.983 1
1 37 . 6 1 1 A 10 10 GLU HA H 10 4.132 4.912 -0.780 1
1 38 . 6 1 1 A 10 10 GLU CB C 10 30.305 32.958 -2.653 1
1 42 . 6 1 1 A 10 10 GLU C C 10 176.024 175.696 0.328 1
1 45 . 6 1 1 A 11 11 HIS N N 11 121.270 120.184 1.086 1
1 46 . 6 1 1 A 11 11 HIS H H 11 8.258 8.682 -0.424 1
1 47 . 6 1 1 A 11 11 HIS CA C 11 53.734 54.874 -1.140 1
1 48 . 6 1 1 A 11 11 HIS HA H 11 4.831 4.694 0.137 1
1 49 . 6 1 1 A 11 11 HIS CB C 11 31.178 30.418 0.760 1
1 55 . 6 1 1 A 11 11 HIS C C 11 174.107 175.313 -1.206 1
1 57 . 6 1 1 A 12 12 PRO CA C 12 63.651 64.014 -0.363 1
1 58 . 6 1 1 A 12 12 PRO HA H 12 4.301 4.171 0.130 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.098 31.127 0.971 1
1 65 . 6 1 1 A 12 12 PRO C C 12 176.381 175.870 0.511 1
1 69 . 6 1 1 A 13 13 PHE N N 13 116.995 118.388 -1.393 1
1 70 . 6 1 1 A 13 13 PHE H H 13 7.836 7.569 0.267 1
1 71 . 6 1 1 A 13 13 PHE CA C 13 57.114 56.785 0.329 1
1 72 . 6 1 1 A 13 13 PHE HA H 13 4.804 5.366 -0.562 1
1 73 . 6 1 1 A 13 13 PHE CB C 13 39.642 41.936 -2.294 1
1 85 . 6 1 1 A 13 13 PHE C C 13 174.042 174.158 -0.116 1
1 87 . 6 1 1 A 14 14 LYS N N 14 124.716 123.652 1.064 1
1 88 . 6 1 1 A 14 14 LYS H H 14 8.671 9.033 -0.362 1
1 89 . 6 1 1 A 14 14 LYS CA C 14 55.018 54.872 0.146 1
1 90 . 6 1 1 A 14 14 LYS HA H 14 4.973 5.368 -0.395 1
1 91 . 6 1 1 A 14 14 LYS CB C 14 36.127 36.225 -0.098 1
1 99 . 6 1 1 A 14 14 LYS C C 14 174.476 175.514 -1.038 1
1 104 . 6 1 1 A 15 15 CYS N N 15 127.379 125.240 2.139 1
1 105 . 6 1 1 A 15 15 CYS H H 15 9.267 9.240 0.027 1
1 106 . 6 1 1 A 15 15 CYS CA C 15 59.230 60.271 -1.041 1
1 107 . 6 1 1 A 15 15 CYS HA H 15 4.592 4.536 0.056 1
1 108 . 6 1 1 A 15 15 CYS CB C 15 29.614 28.590 1.024 1
1 110 . 6 1 1 A 15 15 CYS C C 15 176.798 174.828 1.970 1
1 112 . 6 1 1 A 16 16 ASN N N 16 130.287 125.881 4.406 1
1 113 . 6 1 1 A 16 16 ASN H H 16 9.447 9.001 0.446 1
1 114 . 6 1 1 A 16 16 ASN CA C 16 55.588 54.315 1.273 1
1 115 . 6 1 1 A 16 16 ASN HA H 16 4.548 4.782 -0.234 1
1 116 . 6 1 1 A 16 16 ASN CB C 16 38.414 39.423 -1.009 1
1 121 . 6 1 1 A 16 16 ASN C C 16 175.463 176.554 -1.091 1
1 123 . 6 1 1 A 17 17 GLU N N 17 120.826 119.440 1.386 1
1 124 . 6 1 1 A 17 17 GLU H H 17 8.704 7.740 0.964 1
1 125 . 6 1 1 A 17 17 GLU CA C 17 58.511 59.087 -0.576 1
1 126 . 6 1 1 A 17 17 GLU HA H 17 4.227 3.944 0.283 1
1 127 . 6 1 1 A 17 17 GLU CB C 17 29.478 29.444 0.034 1
1 131 . 6 1 1 A 17 17 GLU C C 17 177.096 177.782 -0.686 1
1 134 . 6 1 1 A 18 18 CYS N N 18 114.551 115.203 -0.652 1
1 135 . 6 1 1 A 18 18 CYS H H 18 7.945 7.446 0.499 1
1 136 . 6 1 1 A 18 18 CYS CA C 18 58.357 59.648 -1.291 1
1 137 . 6 1 1 A 18 18 CYS HA H 18 5.196 4.712 0.484 1
1 138 . 6 1 1 A 18 18 CYS CB C 18 32.462 30.065 2.397 1
1 140 . 6 1 1 A 18 18 CYS C C 18 176.232 175.629 0.603 1
1 142 . 6 1 1 A 19 19 GLY N N 19 113.587 109.925 3.662 1
1 143 . 6 1 1 A 19 19 GLY H H 19 8.233 8.050 0.183 1
1 144 . 6 1 1 A 19 19 GLY CA C 19 46.310 45.088 1.222 1
1 145 . 6 1 1 A 19 19 GLY HA3 H 19 4.284 4.090 0.194 1
1 146 . 6 1 1 A 19 19 GLY C C 19 173.663 174.408 -0.745 1
1 147 . 6 1 1 A 19 19 GLY HA2 H 19 3.758 4.076 -0.318 1
1 148 . 6 1 1 A 20 20 LYS N N 20 122.684 120.115 2.569 1
1 149 . 6 1 1 A 20 20 LYS H H 20 7.972 7.368 0.604 1
1 150 . 6 1 1 A 20 20 LYS CA C 20 58.156 55.972 2.184 1
1 151 . 6 1 1 A 20 20 LYS HA H 20 4.078 4.377 -0.299 1
1 152 . 6 1 1 A 20 20 LYS CB C 20 33.727 34.500 -0.773 1
1 160 . 6 1 1 A 20 20 LYS C C 20 174.656 175.474 -0.818 1
1 165 . 6 1 1 A 21 21 THR N N 21 110.579 111.548 -0.969 1
1 166 . 6 1 1 A 21 21 THR H H 21 7.609 8.406 -0.797 1
1 167 . 6 1 1 A 21 21 THR CA C 21 59.691 60.034 -0.343 1
1 168 . 6 1 1 A 21 21 THR HA H 21 5.205 5.378 -0.173 1
1 169 . 6 1 1 A 21 21 THR CB C 21 71.137 71.331 -0.194 1
1 175 . 6 1 1 A 21 21 THR C C 21 173.496 173.207 0.289 1
1 176 . 6 1 1 A 22 22 PHE N N 22 116.127 119.844 -3.717 1
1 177 . 6 1 1 A 22 22 PHE H H 22 8.683 9.488 -0.805 1
1 178 . 6 1 1 A 22 22 PHE CA C 22 56.997 56.735 0.262 1
1 179 . 6 1 1 A 22 22 PHE HA H 22 4.759 5.114 -0.355 1
1 180 . 6 1 1 A 22 22 PHE CB C 22 44.522 42.369 2.153 1
1 192 . 6 1 1 A 22 22 PHE C C 22 175.274 176.426 -1.152 1
1 194 . 6 1 1 A 23 23 SER N N 23 115.350 118.154 -2.804 1
1 195 . 6 1 1 A 23 23 SER H H 23 9.509 8.947 0.562 1
1 196 . 6 1 1 A 23 23 SER CA C 23 60.097 61.766 -1.669 1
1 197 . 6 1 1 A 23 23 SER HA H 23 4.455 3.958 0.497 1
1 198 . 6 1 1 A 23 23 SER CB C 23 64.104 62.632 1.472 1
1 201 . 6 1 1 A 24 24 HIS N N 24 117.610 118.973 -1.363 1
1 202 . 6 1 1 A 24 24 HIS H H 24 7.093 8.444 -1.351 1
1 203 . 6 1 1 A 24 24 HIS CA C 24 55.771 55.673 0.098 1
1 204 . 6 1 1 A 24 24 HIS HA H 24 4.570 5.210 -0.640 1
1 205 . 6 1 1 A 24 24 HIS CB C 24 33.304 31.987 1.317 1
1 212 . 6 1 1 A 25 25 SER H H 25 7.251 8.600 -1.349 1
1 213 . 6 1 1 A 25 25 SER CA C 25 61.178 60.739 0.439 1
1 214 . 6 1 1 A 25 25 SER HA H 25 2.986 2.830 0.156 1
1 215 . 6 1 1 A 25 25 SER CB C 25 61.917 62.075 -0.158 1
1 218 . 6 1 1 A 26 26 ALA CA C 26 54.851 55.152 -0.301 1
1 219 . 6 1 1 A 26 26 ALA HA H 26 4.129 3.901 0.228 1
1 220 . 6 1 1 A 26 26 ALA CB C 26 18.182 18.388 -0.206 1
1 224 . 6 1 1 A 26 26 ALA C C 26 180.317 179.381 0.936 1
1 225 . 6 1 1 A 27 27 HIS N N 27 116.106 115.970 0.136 1
1 226 . 6 1 1 A 27 27 HIS H H 27 6.999 7.669 -0.670 1
1 227 . 6 1 1 A 27 27 HIS CA C 27 56.588 59.389 -2.801 1
1 228 . 6 1 1 A 27 27 HIS HA H 27 4.470 4.294 0.176 1
1 229 . 6 1 1 A 27 27 HIS CB C 27 31.665 29.951 1.714 1
1 235 . 6 1 1 A 27 27 HIS C C 27 178.498 177.321 1.177 1
1 237 . 6 1 1 A 28 28 LEU N N 28 121.252 121.096 0.156 1
1 238 . 6 1 1 A 28 28 LEU H H 28 6.954 7.975 -1.021 1
1 239 . 6 1 1 A 28 28 LEU CA C 28 57.761 57.752 0.009 1
1 240 . 6 1 1 A 28 28 LEU HA H 28 3.160 3.013 0.147 1
1 241 . 6 1 1 A 28 28 LEU CB C 28 40.366 41.543 -1.177 1
1 253 . 6 1 1 A 28 28 LEU C C 28 177.469 178.362 -0.893 1
1 255 . 6 1 1 A 29 29 SER N N 29 114.613 113.412 1.201 1
1 256 . 6 1 1 A 29 29 SER H H 29 8.258 8.173 0.085 1
1 257 . 6 1 1 A 29 29 SER CA C 29 62.389 61.246 1.143 1
1 258 . 6 1 1 A 29 29 SER HA H 29 3.861 4.178 -0.317 1
1 259 . 6 1 1 A 29 29 SER CB C 29 62.209 62.532 -0.323 1
1 261 . 6 1 1 A 29 29 SER C C 29 176.889 176.114 0.775 1
1 263 . 6 1 1 A 30 30 LYS N N 30 120.296 120.913 -0.617 1
1 264 . 6 1 1 A 30 30 LYS H H 30 7.420 7.289 0.131 1
1 265 . 6 1 1 A 30 30 LYS CA C 30 58.898 58.396 0.502 1
1 266 . 6 1 1 A 30 30 LYS HA H 30 4.064 4.115 -0.051 1
1 267 . 6 1 1 A 30 30 LYS CB C 30 32.454 32.637 -0.183 1
1 275 . 6 1 1 A 30 30 LYS C C 30 178.850 178.485 0.365 1
1 280 . 6 1 1 A 31 31 HIS N N 31 119.097 119.261 -0.164 1
1 281 . 6 1 1 A 31 31 HIS H H 31 7.585 8.293 -0.708 1
1 282 . 6 1 1 A 31 31 HIS CA C 31 59.221 58.279 0.942 1
1 283 . 6 1 1 A 31 31 HIS HA H 31 4.186 4.181 0.005 1
1 284 . 6 1 1 A 31 31 HIS CB C 31 28.480 30.366 -1.886 1
1 290 . 6 1 1 A 31 31 HIS C C 31 176.309 176.992 -0.683 1
1 292 . 6 1 1 A 32 32 GLN N N 32 115.041 118.074 -3.033 1
1 293 . 6 1 1 A 32 32 GLN H H 32 8.315 7.890 0.425 1
1 294 . 6 1 1 A 32 32 GLN CA C 32 59.416 58.522 0.894 1
1 295 . 6 1 1 A 32 32 GLN HA H 32 3.715 4.184 -0.469 1
1 296 . 6 1 1 A 32 32 GLN CB C 32 28.247 28.291 -0.044 1
1 303 . 6 1 1 A 32 32 GLN C C 32 177.758 178.837 -1.079 1
1 306 . 6 1 1 A 33 33 LEU N N 33 118.894 120.308 -1.414 1
1 307 . 6 1 1 A 33 33 LEU H H 33 7.181 8.045 -0.864 1
1 308 . 6 1 1 A 33 33 LEU CA C 33 57.476 57.967 -0.491 1
1 309 . 6 1 1 A 33 33 LEU HA H 33 4.056 4.006 0.050 1
1 310 . 6 1 1 A 33 33 LEU CB C 33 41.570 41.194 0.376 1
1 322 . 6 1 1 A 33 33 LEU C C 33 179.710 179.413 0.297 1
1 324 . 6 1 1 A 34 34 ILE N N 34 116.556 115.668 0.888 1
1 325 . 6 1 1 A 34 34 ILE H H 34 7.824 7.532 0.292 1
1 326 . 6 1 1 A 34 34 ILE CA C 34 63.328 64.131 -0.803 1
1 327 . 6 1 1 A 34 34 ILE HA H 34 3.939 3.804 0.135 1
1 328 . 6 1 1 A 34 34 ILE CB C 34 37.595 37.065 0.530 1
1 340 . 6 1 1 A 34 34 ILE C C 34 177.765 177.815 -0.050 1
1 342 . 6 1 1 A 35 35 HIS N N 35 117.319 119.548 -2.229 1
1 343 . 6 1 1 A 35 35 HIS H H 35 7.053 7.592 -0.539 1
1 344 . 6 1 1 A 35 35 HIS CA C 35 55.162 58.679 -3.517 1
1 345 . 6 1 1 A 35 35 HIS HA H 35 4.793 4.296 0.497 1
1 346 . 6 1 1 A 35 35 HIS CB C 35 28.486 30.524 -2.038 1
1 352 . 6 1 1 A 35 35 HIS C C 35 175.328 175.654 -0.326 1
1 354 . 6 1 1 A 36 36 ALA N N 36 122.453 120.784 1.669 1
1 355 . 6 1 1 A 36 36 ALA H H 36 7.546 7.278 0.268 1
1 356 . 6 1 1 A 36 36 ALA CA C 36 53.295 51.764 1.531 1
1 357 . 6 1 1 A 36 36 ALA HA H 36 4.340 4.193 0.147 1
1 358 . 6 1 1 A 36 36 ALA CB C 36 19.226 20.073 -0.847 1
1 362 . 6 1 1 A 36 36 ALA C C 36 178.109 177.401 0.708 1
1 363 . 6 1 1 A 37 37 GLY N N 37 107.129 111.981 -4.852 1
1 364 . 6 1 1 A 37 37 GLY H H 37 8.129 8.810 -0.681 1
1 365 . 6 1 1 A 37 37 GLY CA C 37 45.268 44.717 0.551 1
1 366 . 6 1 1 A 37 37 GLY HA3 H 37 3.998 4.265 -0.267 1
1 367 . 6 1 1 A 37 37 GLY C C 37 174.043 173.491 0.552 1
1 368 . 6 1 1 A 37 37 GLY HA2 H 37 3.954 4.259 -0.305 1
1 369 . 6 1 1 A 38 38 GLU N N 38 119.932 125.367 -5.435 1
1 370 . 6 1 1 A 38 38 GLU H H 38 8.057 8.864 -0.807 1
1 371 . 6 1 1 A 38 38 GLU CA C 38 56.397 55.945 0.452 1
1 372 . 6 1 1 A 38 38 GLU HA H 38 4.284 4.564 -0.280 1
1 373 . 6 1 1 A 38 38 GLU CB C 38 30.566 29.843 0.723 1
1 377 . 6 1 1 A 38 38 GLU C C 38 176.062 176.344 -0.282 1
1 380 . 6 1 1 A 39 39 ASN N N 39 120.263 117.527 2.736 1
1 381 . 6 1 1 A 39 39 ASN H H 39 8.524 8.068 0.456 1
1 382 . 6 1 1 A 39 39 ASN CA C 39 51.432 50.855 0.577 1
1 383 . 6 1 1 A 39 39 ASN HA H 39 4.986 5.088 -0.102 1
1 384 . 6 1 1 A 39 39 ASN CB C 39 39.023 38.256 0.767 1
1 389 . 6 1 1 A 39 39 ASN C C 39 173.352 174.161 -0.809 1
1 391 . 6 1 1 A 40 40 PRO CA C 40 63.132 62.771 0.361 1
1 392 . 6 1 1 A 40 40 PRO HA H 40 4.437 4.506 -0.069 1
1 393 . 6 1 1 A 40 40 PRO CB C 40 32.192 31.764 0.428 1
1 402 . 6 1 1 A 41 41 SER N N 41 116.490 118.010 -1.520 1
1 403 . 6 1 1 A 41 41 SER H H 41 8.541 8.669 -0.128 1
1 404 . 6 1 1 A 41 41 SER CA C 41 58.569 57.614 0.955 1
1 405 . 6 1 1 A 41 41 SER CB C 41 64.089 63.321 0.768 1
1 406 . 6 1 1 A 42 42 GLY HA2 H 42 4.122 3.900 0.222 1
1 407 . 6 1 1 A 43 43 PRO CA C 43 63.258 64.159 -0.901 1
1 408 . 6 1 1 A 43 43 PRO HA H 43 4.490 4.542 -0.052 1
1 409 . 6 1 1 A 43 43 PRO CB C 43 32.196 31.703 0.493 1
1 418 . 6 1 1 A 44 44 SER N N 44 115.698 113.302 2.396 1
1 419 . 6 1 1 A 44 44 SER H H 44 8.413 8.561 -0.148 1
1 420 . 6 1 1 A 44 44 SER CA C 44 58.408 59.510 -1.102 1
1 421 . 6 1 1 A 44 44 SER HA H 44 4.489 4.798 -0.309 1
1 422 . 6 1 1 A 44 44 SER CB C 44 63.941 65.664 -1.723 1
1 424 . 6 1 1 A 45 45 SER CA C 45 58.456 56.685 1.771 1
1 425 . 6 1 1 A 45 45 SER HA H 45 4.490 4.822 -0.332 1
1 426 . 6 1 1 A 45 45 SER CB C 45 64.115 64.130 -0.015 1
1 428 . 6 1 1 A 45 45 SER C C 45 173.910 173.627 0.283 1
1 3 . 7 1 1 A 7 7 GLY CA C 7 45.395 44.120 1.275 1
1 4 . 7 1 1 A 7 7 GLY HA3 H 7 4.028 4.329 -0.301 1
1 5 . 7 1 1 A 7 7 GLY C C 7 174.345 173.841 0.504 1
1 6 . 7 1 1 A 7 7 GLY HA2 H 7 4.028 4.318 -0.290 1
1 7 . 7 1 1 A 8 8 THR N N 8 114.076 114.406 -0.330 1
1 8 . 7 1 1 A 8 8 THR H H 8 8.041 8.732 -0.691 1
1 9 . 7 1 1 A 8 8 THR CA C 8 61.746 61.952 -0.206 1
1 10 . 7 1 1 A 8 8 THR HA H 8 4.321 4.371 -0.050 1
1 11 . 7 1 1 A 8 8 THR CB C 8 69.981 68.958 1.023 1
1 17 . 7 1 1 A 8 8 THR C C 8 174.522 174.839 -0.317 1
1 18 . 7 1 1 A 9 9 LYS N N 9 123.558 122.980 0.578 1
1 19 . 7 1 1 A 9 9 LYS H H 9 8.347 8.482 -0.135 1
1 20 . 7 1 1 A 9 9 LYS CA C 9 56.456 55.697 0.759 1
1 21 . 7 1 1 A 9 9 LYS HA H 9 4.243 4.056 0.187 1
1 22 . 7 1 1 A 9 9 LYS CB C 9 32.910 31.934 0.976 1
1 29 . 7 1 1 A 9 9 LYS C C 9 176.303 176.042 0.261 1
1 34 . 7 1 1 A 10 10 GLU N N 10 121.405 120.110 1.295 1
1 35 . 7 1 1 A 10 10 GLU H H 10 8.292 7.760 0.532 1
1 36 . 7 1 1 A 10 10 GLU CA C 10 56.554 55.391 1.163 1
1 37 . 7 1 1 A 10 10 GLU HA H 10 4.132 4.489 -0.357 1
1 38 . 7 1 1 A 10 10 GLU CB C 10 30.305 29.348 0.957 1
1 42 . 7 1 1 A 10 10 GLU C C 10 176.024 175.287 0.737 1
1 45 . 7 1 1 A 11 11 HIS N N 11 121.270 121.939 -0.669 1
1 46 . 7 1 1 A 11 11 HIS H H 11 8.258 7.931 0.327 1
1 47 . 7 1 1 A 11 11 HIS CA C 11 53.734 54.009 -0.275 1
1 48 . 7 1 1 A 11 11 HIS HA H 11 4.831 4.985 -0.154 1
1 49 . 7 1 1 A 11 11 HIS CB C 11 31.178 30.917 0.261 1
1 55 . 7 1 1 A 11 11 HIS C C 11 174.107 175.129 -1.022 1
1 57 . 7 1 1 A 12 12 PRO CA C 12 63.651 64.069 -0.418 1
1 58 . 7 1 1 A 12 12 PRO HA H 12 4.301 4.202 0.099 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.098 31.250 0.848 1
1 65 . 7 1 1 A 12 12 PRO C C 12 176.381 176.002 0.379 1
1 69 . 7 1 1 A 13 13 PHE N N 13 116.995 118.795 -1.800 1
1 70 . 7 1 1 A 13 13 PHE H H 13 7.836 7.603 0.233 1
1 71 . 7 1 1 A 13 13 PHE CA C 13 57.114 56.570 0.544 1
1 72 . 7 1 1 A 13 13 PHE HA H 13 4.804 5.236 -0.432 1
1 73 . 7 1 1 A 13 13 PHE CB C 13 39.642 40.780 -1.138 1
1 85 . 7 1 1 A 13 13 PHE C C 13 174.042 174.081 -0.039 1
1 87 . 7 1 1 A 14 14 LYS N N 14 124.716 124.564 0.152 1
1 88 . 7 1 1 A 14 14 LYS H H 14 8.671 9.129 -0.458 1
1 89 . 7 1 1 A 14 14 LYS CA C 14 55.018 54.639 0.379 1
1 90 . 7 1 1 A 14 14 LYS HA H 14 4.973 5.511 -0.538 1
1 91 . 7 1 1 A 14 14 LYS CB C 14 36.127 35.690 0.437 1
1 99 . 7 1 1 A 14 14 LYS C C 14 174.476 175.770 -1.294 1
1 104 . 7 1 1 A 15 15 CYS N N 15 127.379 125.486 1.893 1
1 105 . 7 1 1 A 15 15 CYS H H 15 9.267 9.077 0.190 1
1 106 . 7 1 1 A 15 15 CYS CA C 15 59.230 60.200 -0.970 1
1 107 . 7 1 1 A 15 15 CYS HA H 15 4.592 4.555 0.037 1
1 108 . 7 1 1 A 15 15 CYS CB C 15 29.614 29.139 0.475 1
1 110 . 7 1 1 A 15 15 CYS C C 15 176.798 175.681 1.117 1
1 112 . 7 1 1 A 16 16 ASN N N 16 130.287 126.390 3.897 1
1 113 . 7 1 1 A 16 16 ASN H H 16 9.447 8.956 0.491 1
1 114 . 7 1 1 A 16 16 ASN CA C 16 55.588 54.877 0.711 1
1 115 . 7 1 1 A 16 16 ASN HA H 16 4.548 4.685 -0.137 1
1 116 . 7 1 1 A 16 16 ASN CB C 16 38.414 38.534 -0.120 1
1 121 . 7 1 1 A 16 16 ASN C C 16 175.463 177.103 -1.640 1
1 123 . 7 1 1 A 17 17 GLU N N 17 120.826 118.992 1.834 1
1 124 . 7 1 1 A 17 17 GLU H H 17 8.704 8.086 0.618 1
1 125 . 7 1 1 A 17 17 GLU CA C 17 58.511 58.935 -0.424 1
1 126 . 7 1 1 A 17 17 GLU HA H 17 4.227 3.988 0.239 1
1 127 . 7 1 1 A 17 17 GLU CB C 17 29.478 29.597 -0.119 1
1 131 . 7 1 1 A 17 17 GLU C C 17 177.096 177.710 -0.614 1
1 134 . 7 1 1 A 18 18 CYS N N 18 114.551 114.952 -0.401 1
1 135 . 7 1 1 A 18 18 CYS H H 18 7.945 7.792 0.153 1
1 136 . 7 1 1 A 18 18 CYS CA C 18 58.357 59.619 -1.262 1
1 137 . 7 1 1 A 18 18 CYS HA H 18 5.196 4.726 0.470 1
1 138 . 7 1 1 A 18 18 CYS CB C 18 32.462 30.082 2.380 1
1 140 . 7 1 1 A 18 18 CYS C C 18 176.232 175.665 0.567 1
1 142 . 7 1 1 A 19 19 GLY N N 19 113.587 109.863 3.724 1
1 143 . 7 1 1 A 19 19 GLY H H 19 8.233 7.867 0.366 1
1 144 . 7 1 1 A 19 19 GLY CA C 19 46.310 44.939 1.371 1
1 145 . 7 1 1 A 19 19 GLY HA3 H 19 4.284 4.095 0.189 1
1 146 . 7 1 1 A 19 19 GLY C C 19 173.663 174.596 -0.933 1
1 147 . 7 1 1 A 19 19 GLY HA2 H 19 3.758 4.082 -0.324 1
1 148 . 7 1 1 A 20 20 LYS N N 20 122.684 120.457 2.227 1
1 149 . 7 1 1 A 20 20 LYS H H 20 7.972 7.453 0.519 1
1 150 . 7 1 1 A 20 20 LYS CA C 20 58.156 56.455 1.701 1
1 151 . 7 1 1 A 20 20 LYS HA H 20 4.078 4.280 -0.202 1
1 152 . 7 1 1 A 20 20 LYS CB C 20 33.727 34.269 -0.542 1
1 160 . 7 1 1 A 20 20 LYS C C 20 174.656 175.333 -0.677 1
1 165 . 7 1 1 A 21 21 THR N N 21 110.579 110.731 -0.152 1
1 166 . 7 1 1 A 21 21 THR H H 21 7.609 8.255 -0.646 1
1 167 . 7 1 1 A 21 21 THR CA C 21 59.691 60.264 -0.573 1
1 168 . 7 1 1 A 21 21 THR HA H 21 5.205 5.643 -0.438 1
1 169 . 7 1 1 A 21 21 THR CB C 21 71.137 71.741 -0.604 1
1 175 . 7 1 1 A 21 21 THR C C 21 173.496 172.973 0.523 1
1 176 . 7 1 1 A 22 22 PHE N N 22 116.127 119.487 -3.360 1
1 177 . 7 1 1 A 22 22 PHE H H 22 8.683 9.588 -0.905 1
1 178 . 7 1 1 A 22 22 PHE CA C 22 56.997 57.030 -0.033 1
1 179 . 7 1 1 A 22 22 PHE HA H 22 4.759 5.136 -0.377 1
1 180 . 7 1 1 A 22 22 PHE CB C 22 44.522 43.652 0.870 1
1 192 . 7 1 1 A 22 22 PHE C C 22 175.274 175.167 0.107 1
1 194 . 7 1 1 A 23 23 SER N N 23 115.350 119.207 -3.857 1
1 195 . 7 1 1 A 23 23 SER H H 23 9.509 8.856 0.653 1
1 196 . 7 1 1 A 23 23 SER CA C 23 60.097 58.179 1.918 1
1 197 . 7 1 1 A 23 23 SER HA H 23 4.455 4.557 -0.102 1
1 198 . 7 1 1 A 23 23 SER CB C 23 64.104 63.082 1.022 1
1 201 . 7 1 1 A 24 24 HIS N N 24 117.610 119.954 -2.344 1
1 202 . 7 1 1 A 24 24 HIS H H 24 7.093 7.733 -0.640 1
1 203 . 7 1 1 A 24 24 HIS CA C 24 55.771 54.464 1.307 1
1 204 . 7 1 1 A 24 24 HIS HA H 24 4.570 4.771 -0.201 1
1 205 . 7 1 1 A 24 24 HIS CB C 24 33.304 33.161 0.143 1
1 212 . 7 1 1 A 25 25 SER H H 25 7.251 8.114 -0.863 1
1 213 . 7 1 1 A 25 25 SER CA C 25 61.178 60.819 0.359 1
1 214 . 7 1 1 A 25 25 SER HA H 25 2.986 3.114 -0.128 1
1 215 . 7 1 1 A 25 25 SER CB C 25 61.917 61.988 -0.071 1
1 218 . 7 1 1 A 26 26 ALA CA C 26 54.851 55.188 -0.337 1
1 219 . 7 1 1 A 26 26 ALA HA H 26 4.129 3.800 0.329 1
1 220 . 7 1 1 A 26 26 ALA CB C 26 18.182 18.191 -0.009 1
1 224 . 7 1 1 A 26 26 ALA C C 26 180.317 179.552 0.765 1
1 225 . 7 1 1 A 27 27 HIS N N 27 116.106 115.877 0.229 1
1 226 . 7 1 1 A 27 27 HIS H H 27 6.999 7.485 -0.486 1
1 227 . 7 1 1 A 27 27 HIS CA C 27 56.588 59.447 -2.859 1
1 228 . 7 1 1 A 27 27 HIS HA H 27 4.470 4.257 0.213 1
1 229 . 7 1 1 A 27 27 HIS CB C 27 31.665 29.729 1.936 1
1 235 . 7 1 1 A 27 27 HIS C C 27 178.498 177.084 1.414 1
1 237 . 7 1 1 A 28 28 LEU N N 28 121.252 120.714 0.538 1
1 238 . 7 1 1 A 28 28 LEU H H 28 6.954 7.496 -0.542 1
1 239 . 7 1 1 A 28 28 LEU CA C 28 57.761 57.840 -0.079 1
1 240 . 7 1 1 A 28 28 LEU HA H 28 3.160 2.915 0.245 1
1 241 . 7 1 1 A 28 28 LEU CB C 28 40.366 41.563 -1.197 1
1 253 . 7 1 1 A 28 28 LEU C C 28 177.469 178.101 -0.632 1
1 255 . 7 1 1 A 29 29 SER N N 29 114.613 114.289 0.324 1
1 256 . 7 1 1 A 29 29 SER H H 29 8.258 8.192 0.066 1
1 257 . 7 1 1 A 29 29 SER CA C 29 62.389 61.482 0.907 1
1 258 . 7 1 1 A 29 29 SER HA H 29 3.861 4.003 -0.142 1
1 259 . 7 1 1 A 29 29 SER CB C 29 62.209 62.910 -0.701 1
1 261 . 7 1 1 A 29 29 SER C C 29 176.889 177.158 -0.269 1
1 263 . 7 1 1 A 30 30 LYS N N 30 120.296 121.293 -0.997 1
1 264 . 7 1 1 A 30 30 LYS H H 30 7.420 7.275 0.145 1
1 265 . 7 1 1 A 30 30 LYS CA C 30 58.898 58.739 0.159 1
1 266 . 7 1 1 A 30 30 LYS HA H 30 4.064 3.998 0.066 1
1 267 . 7 1 1 A 30 30 LYS CB C 30 32.454 32.008 0.446 1
1 275 . 7 1 1 A 30 30 LYS C C 30 178.850 178.734 0.116 1
1 280 . 7 1 1 A 31 31 HIS N N 31 119.097 119.740 -0.643 1
1 281 . 7 1 1 A 31 31 HIS H H 31 7.585 8.419 -0.834 1
1 282 . 7 1 1 A 31 31 HIS CA C 31 59.221 58.425 0.796 1
1 283 . 7 1 1 A 31 31 HIS HA H 31 4.186 4.184 0.002 1
1 284 . 7 1 1 A 31 31 HIS CB C 31 28.480 30.362 -1.882 1
1 290 . 7 1 1 A 31 31 HIS C C 31 176.309 176.999 -0.690 1
1 292 . 7 1 1 A 32 32 GLN N N 32 115.041 118.087 -3.046 1
1 293 . 7 1 1 A 32 32 GLN H H 32 8.315 7.888 0.427 1
1 294 . 7 1 1 A 32 32 GLN CA C 32 59.416 58.492 0.924 1
1 295 . 7 1 1 A 32 32 GLN HA H 32 3.715 4.187 -0.472 1
1 296 . 7 1 1 A 32 32 GLN CB C 32 28.247 28.321 -0.074 1
1 303 . 7 1 1 A 32 32 GLN C C 32 177.758 178.860 -1.102 1
1 306 . 7 1 1 A 33 33 LEU N N 33 118.894 120.343 -1.449 1
1 307 . 7 1 1 A 33 33 LEU H H 33 7.181 7.558 -0.377 1
1 308 . 7 1 1 A 33 33 LEU CA C 33 57.476 57.934 -0.458 1
1 309 . 7 1 1 A 33 33 LEU HA H 33 4.056 4.012 0.044 1
1 310 . 7 1 1 A 33 33 LEU CB C 33 41.570 41.270 0.300 1
1 322 . 7 1 1 A 33 33 LEU C C 33 179.710 179.382 0.328 1
1 324 . 7 1 1 A 34 34 ILE N N 34 116.556 115.011 1.545 1
1 325 . 7 1 1 A 34 34 ILE H H 34 7.824 7.538 0.286 1
1 326 . 7 1 1 A 34 34 ILE CA C 34 63.328 63.817 -0.489 1
1 327 . 7 1 1 A 34 34 ILE HA H 34 3.939 4.184 -0.245 1
1 328 . 7 1 1 A 34 34 ILE CB C 34 37.595 36.913 0.682 1
1 340 . 7 1 1 A 34 34 ILE C C 34 177.765 177.702 0.063 1
1 342 . 7 1 1 A 35 35 HIS N N 35 117.319 119.278 -1.959 1
1 343 . 7 1 1 A 35 35 HIS H H 35 7.053 7.792 -0.739 1
1 344 . 7 1 1 A 35 35 HIS CA C 35 55.162 58.657 -3.495 1
1 345 . 7 1 1 A 35 35 HIS HA H 35 4.793 4.350 0.443 1
1 346 . 7 1 1 A 35 35 HIS CB C 35 28.486 30.705 -2.219 1
1 352 . 7 1 1 A 35 35 HIS C C 35 175.328 176.049 -0.721 1
1 354 . 7 1 1 A 36 36 ALA N N 36 122.453 120.518 1.935 1
1 355 . 7 1 1 A 36 36 ALA H H 36 7.546 7.396 0.150 1
1 356 . 7 1 1 A 36 36 ALA CA C 36 53.295 54.054 -0.759 1
1 357 . 7 1 1 A 36 36 ALA HA H 36 4.340 3.960 0.380 1
1 358 . 7 1 1 A 36 36 ALA CB C 36 19.226 18.320 0.906 1
1 362 . 7 1 1 A 36 36 ALA C C 36 178.109 178.712 -0.603 1
1 363 . 7 1 1 A 37 37 GLY N N 37 107.129 111.319 -4.190 1
1 364 . 7 1 1 A 37 37 GLY H H 37 8.129 8.765 -0.636 1
1 365 . 7 1 1 A 37 37 GLY CA C 37 45.268 47.192 -1.924 1
1 366 . 7 1 1 A 37 37 GLY HA3 H 37 3.998 3.870 0.128 1
1 367 . 7 1 1 A 37 37 GLY C C 37 174.043 174.178 -0.135 1
1 368 . 7 1 1 A 37 37 GLY HA2 H 37 3.954 3.865 0.089 1
1 369 . 7 1 1 A 38 38 GLU N N 38 119.932 121.236 -1.304 1
1 370 . 7 1 1 A 38 38 GLU H H 38 8.057 8.382 -0.325 1
1 371 . 7 1 1 A 38 38 GLU CA C 38 56.397 57.632 -1.235 1
1 372 . 7 1 1 A 38 38 GLU HA H 38 4.284 4.227 0.057 1
1 373 . 7 1 1 A 38 38 GLU CB C 38 30.566 30.045 0.521 1
1 377 . 7 1 1 A 38 38 GLU C C 38 176.062 176.281 -0.219 1
1 380 . 7 1 1 A 39 39 ASN N N 39 120.263 122.674 -2.411 1
1 381 . 7 1 1 A 39 39 ASN H H 39 8.524 8.730 -0.206 1
1 382 . 7 1 1 A 39 39 ASN CA C 39 51.432 50.193 1.239 1
1 383 . 7 1 1 A 39 39 ASN HA H 39 4.986 5.179 -0.193 1
1 384 . 7 1 1 A 39 39 ASN CB C 39 39.023 42.467 -3.444 1
1 389 . 7 1 1 A 39 39 ASN C C 39 173.352 172.648 0.704 1
1 391 . 7 1 1 A 40 40 PRO CA C 40 63.132 62.384 0.748 1
1 392 . 7 1 1 A 40 40 PRO HA H 40 4.437 4.559 -0.122 1
1 393 . 7 1 1 A 40 40 PRO CB C 40 32.192 32.764 -0.572 1
1 402 . 7 1 1 A 41 41 SER N N 41 116.490 116.961 -0.471 1
1 403 . 7 1 1 A 41 41 SER H H 41 8.541 8.986 -0.445 1
1 404 . 7 1 1 A 41 41 SER CA C 41 58.569 61.588 -3.019 1
1 405 . 7 1 1 A 41 41 SER CB C 41 64.089 63.075 1.014 1
1 406 . 7 1 1 A 42 42 GLY HA2 H 42 4.122 4.072 0.050 1
1 407 . 7 1 1 A 43 43 PRO CA C 43 63.258 64.530 -1.272 1
1 408 . 7 1 1 A 43 43 PRO HA H 43 4.490 4.432 0.058 1
1 409 . 7 1 1 A 43 43 PRO CB C 43 32.196 32.118 0.078 1
1 418 . 7 1 1 A 44 44 SER N N 44 115.698 115.412 0.286 1
1 419 . 7 1 1 A 44 44 SER H H 44 8.413 7.913 0.500 1
1 420 . 7 1 1 A 44 44 SER CA C 44 58.408 59.175 -0.767 1
1 421 . 7 1 1 A 44 44 SER HA H 44 4.489 4.475 0.014 1
1 422 . 7 1 1 A 44 44 SER CB C 44 63.941 64.738 -0.797 1
1 424 . 7 1 1 A 45 45 SER CA C 45 58.456 61.063 -2.607 1
1 425 . 7 1 1 A 45 45 SER HA H 45 4.490 4.078 0.412 1
1 426 . 7 1 1 A 45 45 SER CB C 45 64.115 63.279 0.836 1
1 428 . 7 1 1 A 45 45 SER C C 45 173.910 174.918 -1.008 1
1 3 . 8 1 1 A 7 7 GLY CA C 7 45.395 44.477 0.918 1
1 4 . 8 1 1 A 7 7 GLY HA3 H 7 4.028 4.189 -0.161 1
1 5 . 8 1 1 A 7 7 GLY C C 7 174.345 173.115 1.230 1
1 6 . 8 1 1 A 7 7 GLY HA2 H 7 4.028 4.182 -0.154 1
1 7 . 8 1 1 A 8 8 THR N N 8 114.076 113.878 0.198 1
1 8 . 8 1 1 A 8 8 THR H H 8 8.041 8.384 -0.343 1
1 9 . 8 1 1 A 8 8 THR CA C 8 61.746 61.371 0.375 1
1 10 . 8 1 1 A 8 8 THR HA H 8 4.321 4.727 -0.406 1
1 11 . 8 1 1 A 8 8 THR CB C 8 69.981 70.900 -0.919 1
1 17 . 8 1 1 A 8 8 THR C C 8 174.522 174.946 -0.424 1
1 18 . 8 1 1 A 9 9 LYS N N 9 123.558 120.953 2.605 1
1 19 . 8 1 1 A 9 9 LYS H H 9 8.347 8.853 -0.506 1
1 20 . 8 1 1 A 9 9 LYS CA C 9 56.456 55.732 0.724 1
1 21 . 8 1 1 A 9 9 LYS HA H 9 4.243 4.545 -0.302 1
1 22 . 8 1 1 A 9 9 LYS CB C 9 32.910 32.378 0.532 1
1 29 . 8 1 1 A 9 9 LYS C C 9 176.303 176.861 -0.558 1
1 34 . 8 1 1 A 10 10 GLU N N 10 121.405 119.557 1.848 1
1 35 . 8 1 1 A 10 10 GLU H H 10 8.292 7.927 0.365 1
1 36 . 8 1 1 A 10 10 GLU CA C 10 56.554 58.349 -1.795 1
1 37 . 8 1 1 A 10 10 GLU HA H 10 4.132 4.380 -0.248 1
1 38 . 8 1 1 A 10 10 GLU CB C 10 30.305 30.541 -0.236 1
1 42 . 8 1 1 A 10 10 GLU C C 10 176.024 176.613 -0.589 1
1 45 . 8 1 1 A 11 11 HIS N N 11 121.270 115.443 5.827 1
1 46 . 8 1 1 A 11 11 HIS H H 11 8.258 8.065 0.193 1
1 47 . 8 1 1 A 11 11 HIS CA C 11 53.734 54.057 -0.323 1
1 48 . 8 1 1 A 11 11 HIS HA H 11 4.831 4.834 -0.003 1
1 49 . 8 1 1 A 11 11 HIS CB C 11 31.178 30.899 0.279 1
1 55 . 8 1 1 A 11 11 HIS C C 11 174.107 174.895 -0.788 1
1 57 . 8 1 1 A 12 12 PRO CA C 12 63.651 64.131 -0.480 1
1 58 . 8 1 1 A 12 12 PRO HA H 12 4.301 4.237 0.064 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.098 31.320 0.778 1
1 65 . 8 1 1 A 12 12 PRO C C 12 176.381 176.019 0.362 1
1 69 . 8 1 1 A 13 13 PHE N N 13 116.995 118.498 -1.503 1
1 70 . 8 1 1 A 13 13 PHE H H 13 7.836 7.662 0.174 1
1 71 . 8 1 1 A 13 13 PHE CA C 13 57.114 56.844 0.270 1
1 72 . 8 1 1 A 13 13 PHE HA H 13 4.804 5.158 -0.354 1
1 73 . 8 1 1 A 13 13 PHE CB C 13 39.642 40.896 -1.254 1
1 85 . 8 1 1 A 13 13 PHE C C 13 174.042 174.239 -0.197 1
1 87 . 8 1 1 A 14 14 LYS N N 14 124.716 124.049 0.667 1
1 88 . 8 1 1 A 14 14 LYS H H 14 8.671 9.159 -0.488 1
1 89 . 8 1 1 A 14 14 LYS CA C 14 55.018 54.538 0.480 1
1 90 . 8 1 1 A 14 14 LYS HA H 14 4.973 5.540 -0.567 1
1 91 . 8 1 1 A 14 14 LYS CB C 14 36.127 36.188 -0.061 1
1 99 . 8 1 1 A 14 14 LYS C C 14 174.476 175.712 -1.236 1
1 104 . 8 1 1 A 15 15 CYS N N 15 127.379 125.023 2.356 1
1 105 . 8 1 1 A 15 15 CYS H H 15 9.267 9.155 0.112 1
1 106 . 8 1 1 A 15 15 CYS CA C 15 59.230 59.954 -0.724 1
1 107 . 8 1 1 A 15 15 CYS HA H 15 4.592 4.633 -0.041 1
1 108 . 8 1 1 A 15 15 CYS CB C 15 29.614 28.753 0.861 1
1 110 . 8 1 1 A 15 15 CYS C C 15 176.798 175.961 0.837 1
1 112 . 8 1 1 A 16 16 ASN N N 16 130.287 125.983 4.304 1
1 113 . 8 1 1 A 16 16 ASN H H 16 9.447 8.986 0.461 1
1 114 . 8 1 1 A 16 16 ASN CA C 16 55.588 54.099 1.489 1
1 115 . 8 1 1 A 16 16 ASN HA H 16 4.548 4.829 -0.281 1
1 116 . 8 1 1 A 16 16 ASN CB C 16 38.414 38.403 0.011 1
1 121 . 8 1 1 A 16 16 ASN C C 16 175.463 175.691 -0.228 1
1 123 . 8 1 1 A 17 17 GLU N N 17 120.826 117.260 3.566 1
1 124 . 8 1 1 A 17 17 GLU H H 17 8.704 7.930 0.774 1
1 125 . 8 1 1 A 17 17 GLU CA C 17 58.511 56.627 1.884 1
1 126 . 8 1 1 A 17 17 GLU HA H 17 4.227 4.385 -0.158 1
1 127 . 8 1 1 A 17 17 GLU CB C 17 29.478 30.819 -1.341 1
1 131 . 8 1 1 A 17 17 GLU C C 17 177.096 177.635 -0.539 1
1 134 . 8 1 1 A 18 18 CYS N N 18 114.551 114.953 -0.402 1
1 135 . 8 1 1 A 18 18 CYS H H 18 7.945 8.010 -0.065 1
1 136 . 8 1 1 A 18 18 CYS CA C 18 58.357 59.119 -0.762 1
1 137 . 8 1 1 A 18 18 CYS HA H 18 5.196 4.733 0.463 1
1 138 . 8 1 1 A 18 18 CYS CB C 18 32.462 30.648 1.814 1
1 140 . 8 1 1 A 18 18 CYS C C 18 176.232 176.122 0.110 1
1 142 . 8 1 1 A 19 19 GLY N N 19 113.587 110.357 3.230 1
1 143 . 8 1 1 A 19 19 GLY H H 19 8.233 8.180 0.053 1
1 144 . 8 1 1 A 19 19 GLY CA C 19 46.310 45.274 1.036 1
1 145 . 8 1 1 A 19 19 GLY HA3 H 19 4.284 4.023 0.261 1
1 146 . 8 1 1 A 19 19 GLY C C 19 173.663 174.473 -0.810 1
1 147 . 8 1 1 A 19 19 GLY HA2 H 19 3.758 4.008 -0.250 1
1 148 . 8 1 1 A 20 20 LYS N N 20 122.684 120.338 2.346 1
1 149 . 8 1 1 A 20 20 LYS H H 20 7.972 7.483 0.489 1
1 150 . 8 1 1 A 20 20 LYS CA C 20 58.156 56.186 1.970 1
1 151 . 8 1 1 A 20 20 LYS HA H 20 4.078 4.373 -0.295 1
1 152 . 8 1 1 A 20 20 LYS CB C 20 33.727 34.288 -0.561 1
1 160 . 8 1 1 A 20 20 LYS C C 20 174.656 175.287 -0.631 1
1 165 . 8 1 1 A 21 21 THR N N 21 110.579 111.116 -0.537 1
1 166 . 8 1 1 A 21 21 THR H H 21 7.609 8.189 -0.580 1
1 167 . 8 1 1 A 21 21 THR CA C 21 59.691 60.247 -0.556 1
1 168 . 8 1 1 A 21 21 THR HA H 21 5.205 5.639 -0.434 1
1 169 . 8 1 1 A 21 21 THR CB C 21 71.137 71.703 -0.566 1
1 175 . 8 1 1 A 21 21 THR C C 21 173.496 173.105 0.391 1
1 176 . 8 1 1 A 22 22 PHE N N 22 116.127 119.540 -3.413 1
1 177 . 8 1 1 A 22 22 PHE H H 22 8.683 9.306 -0.623 1
1 178 . 8 1 1 A 22 22 PHE CA C 22 56.997 57.160 -0.163 1
1 179 . 8 1 1 A 22 22 PHE HA H 22 4.759 5.088 -0.329 1
1 180 . 8 1 1 A 22 22 PHE CB C 22 44.522 42.585 1.937 1
1 192 . 8 1 1 A 22 22 PHE C C 22 175.274 176.087 -0.813 1
1 194 . 8 1 1 A 23 23 SER N N 23 115.350 118.146 -2.796 1
1 195 . 8 1 1 A 23 23 SER H H 23 9.509 8.773 0.736 1
1 196 . 8 1 1 A 23 23 SER CA C 23 60.097 62.010 -1.913 1
1 197 . 8 1 1 A 23 23 SER HA H 23 4.455 4.143 0.312 1
1 198 . 8 1 1 A 23 23 SER CB C 23 64.104 62.628 1.476 1
1 201 . 8 1 1 A 24 24 HIS N N 24 117.610 118.478 -0.868 1
1 202 . 8 1 1 A 24 24 HIS H H 24 7.093 8.552 -1.459 1
1 203 . 8 1 1 A 24 24 HIS CA C 24 55.771 55.854 -0.083 1
1 204 . 8 1 1 A 24 24 HIS HA H 24 4.570 4.977 -0.407 1
1 205 . 8 1 1 A 24 24 HIS CB C 24 33.304 32.127 1.177 1
1 212 . 8 1 1 A 25 25 SER H H 25 7.251 8.439 -1.188 1
1 213 . 8 1 1 A 25 25 SER CA C 25 61.178 60.608 0.570 1
1 214 . 8 1 1 A 25 25 SER HA H 25 2.986 2.984 0.002 1
1 215 . 8 1 1 A 25 25 SER CB C 25 61.917 61.781 0.136 1
1 218 . 8 1 1 A 26 26 ALA CA C 26 54.851 55.164 -0.313 1
1 219 . 8 1 1 A 26 26 ALA HA H 26 4.129 3.893 0.236 1
1 220 . 8 1 1 A 26 26 ALA CB C 26 18.182 18.414 -0.232 1
1 224 . 8 1 1 A 26 26 ALA C C 26 180.317 179.379 0.938 1
1 225 . 8 1 1 A 27 27 HIS N N 27 116.106 115.961 0.145 1
1 226 . 8 1 1 A 27 27 HIS H H 27 6.999 7.716 -0.717 1
1 227 . 8 1 1 A 27 27 HIS CA C 27 56.588 59.402 -2.814 1
1 228 . 8 1 1 A 27 27 HIS HA H 27 4.470 4.286 0.184 1
1 229 . 8 1 1 A 27 27 HIS CB C 27 31.665 29.954 1.711 1
1 235 . 8 1 1 A 27 27 HIS C C 27 178.498 177.141 1.357 1
1 237 . 8 1 1 A 28 28 LEU N N 28 121.252 121.157 0.095 1
1 238 . 8 1 1 A 28 28 LEU H H 28 6.954 8.033 -1.079 1
1 239 . 8 1 1 A 28 28 LEU CA C 28 57.761 57.852 -0.091 1
1 240 . 8 1 1 A 28 28 LEU HA H 28 3.160 2.843 0.317 1
1 241 . 8 1 1 A 28 28 LEU CB C 28 40.366 41.690 -1.324 1
1 253 . 8 1 1 A 28 28 LEU C C 28 177.469 178.097 -0.628 1
1 255 . 8 1 1 A 29 29 SER N N 29 114.613 114.139 0.474 1
1 256 . 8 1 1 A 29 29 SER H H 29 8.258 7.918 0.340 1
1 257 . 8 1 1 A 29 29 SER CA C 29 62.389 61.568 0.821 1
1 258 . 8 1 1 A 29 29 SER HA H 29 3.861 3.986 -0.125 1
1 259 . 8 1 1 A 29 29 SER CB C 29 62.209 62.959 -0.750 1
1 261 . 8 1 1 A 29 29 SER C C 29 176.889 177.206 -0.317 1
1 263 . 8 1 1 A 30 30 LYS N N 30 120.296 121.078 -0.782 1
1 264 . 8 1 1 A 30 30 LYS H H 30 7.420 7.475 -0.055 1
1 265 . 8 1 1 A 30 30 LYS CA C 30 58.898 58.971 -0.073 1
1 266 . 8 1 1 A 30 30 LYS HA H 30 4.064 4.011 0.053 1
1 267 . 8 1 1 A 30 30 LYS CB C 30 32.454 32.155 0.299 1
1 275 . 8 1 1 A 30 30 LYS C C 30 178.850 178.713 0.137 1
1 280 . 8 1 1 A 31 31 HIS N N 31 119.097 120.094 -0.997 1
1 281 . 8 1 1 A 31 31 HIS H H 31 7.585 8.146 -0.561 1
1 282 . 8 1 1 A 31 31 HIS CA C 31 59.221 58.865 0.356 1
1 283 . 8 1 1 A 31 31 HIS HA H 31 4.186 4.145 0.041 1
1 284 . 8 1 1 A 31 31 HIS CB C 31 28.480 29.959 -1.479 1
1 290 . 8 1 1 A 31 31 HIS C C 31 176.309 176.919 -0.610 1
1 292 . 8 1 1 A 32 32 GLN N N 32 115.041 118.032 -2.991 1
1 293 . 8 1 1 A 32 32 GLN H H 32 8.315 7.919 0.396 1
1 294 . 8 1 1 A 32 32 GLN CA C 32 59.416 58.563 0.853 1
1 295 . 8 1 1 A 32 32 GLN HA H 32 3.715 4.158 -0.443 1
1 296 . 8 1 1 A 32 32 GLN CB C 32 28.247 28.364 -0.117 1
1 303 . 8 1 1 A 32 32 GLN C C 32 177.758 178.988 -1.230 1
1 306 . 8 1 1 A 33 33 LEU N N 33 118.894 120.364 -1.470 1
1 307 . 8 1 1 A 33 33 LEU H H 33 7.181 7.677 -0.496 1
1 308 . 8 1 1 A 33 33 LEU CA C 33 57.476 57.742 -0.266 1
1 309 . 8 1 1 A 33 33 LEU HA H 33 4.056 4.041 0.015 1
1 310 . 8 1 1 A 33 33 LEU CB C 33 41.570 41.282 0.288 1
1 322 . 8 1 1 A 33 33 LEU C C 33 179.710 179.068 0.642 1
1 324 . 8 1 1 A 34 34 ILE N N 34 116.556 115.131 1.425 1
1 325 . 8 1 1 A 34 34 ILE H H 34 7.824 7.560 0.264 1
1 326 . 8 1 1 A 34 34 ILE CA C 34 63.328 63.869 -0.541 1
1 327 . 8 1 1 A 34 34 ILE HA H 34 3.939 3.833 0.106 1
1 328 . 8 1 1 A 34 34 ILE CB C 34 37.595 36.804 0.791 1
1 340 . 8 1 1 A 34 34 ILE C C 34 177.765 177.776 -0.011 1
1 342 . 8 1 1 A 35 35 HIS N N 35 117.319 119.500 -2.181 1
1 343 . 8 1 1 A 35 35 HIS H H 35 7.053 7.548 -0.495 1
1 344 . 8 1 1 A 35 35 HIS CA C 35 55.162 59.007 -3.845 1
1 345 . 8 1 1 A 35 35 HIS HA H 35 4.793 4.333 0.460 1
1 346 . 8 1 1 A 35 35 HIS CB C 35 28.486 30.650 -2.164 1
1 352 . 8 1 1 A 35 35 HIS C C 35 175.328 175.393 -0.065 1
1 354 . 8 1 1 A 36 36 ALA N N 36 122.453 121.127 1.326 1
1 355 . 8 1 1 A 36 36 ALA H H 36 7.546 7.119 0.427 1
1 356 . 8 1 1 A 36 36 ALA CA C 36 53.295 51.790 1.505 1
1 357 . 8 1 1 A 36 36 ALA HA H 36 4.340 4.442 -0.102 1
1 358 . 8 1 1 A 36 36 ALA CB C 36 19.226 20.758 -1.532 1
1 362 . 8 1 1 A 36 36 ALA C C 36 178.109 176.865 1.244 1
1 363 . 8 1 1 A 37 37 GLY N N 37 107.129 106.270 0.859 1
1 364 . 8 1 1 A 37 37 GLY H H 37 8.129 8.367 -0.238 1
1 365 . 8 1 1 A 37 37 GLY CA C 37 45.268 45.859 -0.591 1
1 366 . 8 1 1 A 37 37 GLY HA3 H 37 3.998 4.106 -0.108 1
1 367 . 8 1 1 A 37 37 GLY C C 37 174.043 171.938 2.105 1
1 368 . 8 1 1 A 37 37 GLY HA2 H 37 3.954 4.104 -0.150 1
1 369 . 8 1 1 A 38 38 GLU N N 38 119.932 126.045 -6.113 1
1 370 . 8 1 1 A 38 38 GLU H H 38 8.057 8.722 -0.665 1
1 371 . 8 1 1 A 38 38 GLU CA C 38 56.397 55.508 0.889 1
1 372 . 8 1 1 A 38 38 GLU HA H 38 4.284 4.888 -0.604 1
1 373 . 8 1 1 A 38 38 GLU CB C 38 30.566 30.505 0.061 1
1 377 . 8 1 1 A 38 38 GLU C C 38 176.062 175.499 0.563 1
1 380 . 8 1 1 A 39 39 ASN N N 39 120.263 120.179 0.084 1
1 381 . 8 1 1 A 39 39 ASN H H 39 8.524 8.866 -0.342 1
1 382 . 8 1 1 A 39 39 ASN CA C 39 51.432 50.362 1.070 1
1 383 . 8 1 1 A 39 39 ASN HA H 39 4.986 5.396 -0.410 1
1 384 . 8 1 1 A 39 39 ASN CB C 39 39.023 41.536 -2.513 1
1 389 . 8 1 1 A 39 39 ASN C C 39 173.352 172.410 0.942 1
1 391 . 8 1 1 A 40 40 PRO CA C 40 63.132 62.629 0.503 1
1 392 . 8 1 1 A 40 40 PRO HA H 40 4.437 4.746 -0.309 1
1 393 . 8 1 1 A 40 40 PRO CB C 40 32.192 31.261 0.931 1
1 402 . 8 1 1 A 41 41 SER N N 41 116.490 113.774 2.716 1
1 403 . 8 1 1 A 41 41 SER H H 41 8.541 8.332 0.209 1
1 404 . 8 1 1 A 41 41 SER CA C 41 58.569 56.373 2.196 1
1 405 . 8 1 1 A 41 41 SER CB C 41 64.089 66.367 -2.278 1
1 406 . 8 1 1 A 42 42 GLY HA2 H 42 4.122 3.853 0.269 1
1 407 . 8 1 1 A 43 43 PRO CA C 43 63.258 64.238 -0.980 1
1 408 . 8 1 1 A 43 43 PRO HA H 43 4.490 4.436 0.054 1
1 409 . 8 1 1 A 43 43 PRO CB C 43 32.196 31.895 0.301 1
1 418 . 8 1 1 A 44 44 SER N N 44 115.698 113.706 1.992 1
1 419 . 8 1 1 A 44 44 SER H H 44 8.413 7.728 0.685 1
1 420 . 8 1 1 A 44 44 SER CA C 44 58.408 58.561 -0.153 1
1 421 . 8 1 1 A 44 44 SER HA H 44 4.489 4.318 0.171 1
1 422 . 8 1 1 A 44 44 SER CB C 44 63.941 62.463 1.478 1
1 424 . 8 1 1 A 45 45 SER CA C 45 58.456 57.568 0.888 1
1 425 . 8 1 1 A 45 45 SER HA H 45 4.490 4.853 -0.363 1
1 426 . 8 1 1 A 45 45 SER CB C 45 64.115 67.166 -3.051 1
1 428 . 8 1 1 A 45 45 SER C C 45 173.910 173.778 0.132 1
1 3 . 9 1 1 A 7 7 GLY CA C 7 45.395 46.666 -1.271 1
1 4 . 9 1 1 A 7 7 GLY HA3 H 7 4.028 4.009 0.019 1
1 5 . 9 1 1 A 7 7 GLY C C 7 174.345 174.822 -0.477 1
1 6 . 9 1 1 A 7 7 GLY HA2 H 7 4.028 3.991 0.037 1
1 7 . 9 1 1 A 8 8 THR N N 8 114.076 114.989 -0.913 1
1 8 . 9 1 1 A 8 8 THR H H 8 8.041 7.759 0.282 1
1 9 . 9 1 1 A 8 8 THR CA C 8 61.746 64.632 -2.886 1
1 10 . 9 1 1 A 8 8 THR HA H 8 4.321 4.200 0.121 1
1 11 . 9 1 1 A 8 8 THR CB C 8 69.981 69.840 0.141 1
1 17 . 9 1 1 A 8 8 THR C C 8 174.522 174.725 -0.203 1
1 18 . 9 1 1 A 9 9 LYS N N 9 123.558 121.301 2.257 1
1 19 . 9 1 1 A 9 9 LYS H H 9 8.347 7.586 0.761 1
1 20 . 9 1 1 A 9 9 LYS CA C 9 56.456 56.363 0.093 1
1 21 . 9 1 1 A 9 9 LYS HA H 9 4.243 4.200 0.043 1
1 22 . 9 1 1 A 9 9 LYS CB C 9 32.910 32.918 -0.008 1
1 29 . 9 1 1 A 9 9 LYS C C 9 176.303 175.791 0.512 1
1 34 . 9 1 1 A 10 10 GLU N N 10 121.405 124.264 -2.859 1
1 35 . 9 1 1 A 10 10 GLU H H 10 8.292 8.989 -0.697 1
1 36 . 9 1 1 A 10 10 GLU CA C 10 56.554 54.748 1.806 1
1 37 . 9 1 1 A 10 10 GLU HA H 10 4.132 5.093 -0.961 1
1 38 . 9 1 1 A 10 10 GLU CB C 10 30.305 31.396 -1.091 1
1 42 . 9 1 1 A 10 10 GLU C C 10 176.024 174.939 1.085 1
1 45 . 9 1 1 A 11 11 HIS N N 11 121.270 123.545 -2.275 1
1 46 . 9 1 1 A 11 11 HIS H H 11 8.258 9.006 -0.748 1
1 47 . 9 1 1 A 11 11 HIS CA C 11 53.734 54.192 -0.458 1
1 48 . 9 1 1 A 11 11 HIS HA H 11 4.831 4.861 -0.030 1
1 49 . 9 1 1 A 11 11 HIS CB C 11 31.178 30.622 0.556 1
1 55 . 9 1 1 A 11 11 HIS C C 11 174.107 175.329 -1.222 1
1 57 . 9 1 1 A 12 12 PRO CA C 12 63.651 63.975 -0.324 1
1 58 . 9 1 1 A 12 12 PRO HA H 12 4.301 4.156 0.145 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.098 31.233 0.865 1
1 65 . 9 1 1 A 12 12 PRO C C 12 176.381 175.890 0.491 1
1 69 . 9 1 1 A 13 13 PHE N N 13 116.995 118.140 -1.145 1
1 70 . 9 1 1 A 13 13 PHE H H 13 7.836 7.602 0.234 1
1 71 . 9 1 1 A 13 13 PHE CA C 13 57.114 56.706 0.408 1
1 72 . 9 1 1 A 13 13 PHE HA H 13 4.804 5.330 -0.526 1
1 73 . 9 1 1 A 13 13 PHE CB C 13 39.642 42.090 -2.448 1
1 85 . 9 1 1 A 13 13 PHE C C 13 174.042 174.133 -0.091 1
1 87 . 9 1 1 A 14 14 LYS N N 14 124.716 123.860 0.856 1
1 88 . 9 1 1 A 14 14 LYS H H 14 8.671 9.062 -0.391 1
1 89 . 9 1 1 A 14 14 LYS CA C 14 55.018 54.751 0.267 1
1 90 . 9 1 1 A 14 14 LYS HA H 14 4.973 5.556 -0.583 1
1 91 . 9 1 1 A 14 14 LYS CB C 14 36.127 36.476 -0.349 1
1 99 . 9 1 1 A 14 14 LYS C C 14 174.476 175.566 -1.090 1
1 104 . 9 1 1 A 15 15 CYS N N 15 127.379 125.099 2.280 1
1 105 . 9 1 1 A 15 15 CYS H H 15 9.267 9.558 -0.291 1
1 106 . 9 1 1 A 15 15 CYS CA C 15 59.230 59.936 -0.706 1
1 107 . 9 1 1 A 15 15 CYS HA H 15 4.592 4.652 -0.060 1
1 108 . 9 1 1 A 15 15 CYS CB C 15 29.614 28.743 0.871 1
1 110 . 9 1 1 A 15 15 CYS C C 15 176.798 176.397 0.401 1
1 112 . 9 1 1 A 16 16 ASN N N 16 130.287 127.860 2.427 1
1 113 . 9 1 1 A 16 16 ASN H H 16 9.447 9.408 0.039 1
1 114 . 9 1 1 A 16 16 ASN CA C 16 55.588 54.785 0.803 1
1 115 . 9 1 1 A 16 16 ASN HA H 16 4.548 4.664 -0.116 1
1 116 . 9 1 1 A 16 16 ASN CB C 16 38.414 38.587 -0.173 1
1 121 . 9 1 1 A 16 16 ASN C C 16 175.463 177.046 -1.583 1
1 123 . 9 1 1 A 17 17 GLU N N 17 120.826 118.234 2.592 1
1 124 . 9 1 1 A 17 17 GLU H H 17 8.704 8.098 0.606 1
1 125 . 9 1 1 A 17 17 GLU CA C 17 58.511 59.007 -0.496 1
1 126 . 9 1 1 A 17 17 GLU HA H 17 4.227 3.986 0.241 1
1 127 . 9 1 1 A 17 17 GLU CB C 17 29.478 29.609 -0.131 1
1 131 . 9 1 1 A 17 17 GLU C C 17 177.096 177.882 -0.786 1
1 134 . 9 1 1 A 18 18 CYS N N 18 114.551 114.834 -0.283 1
1 135 . 9 1 1 A 18 18 CYS H H 18 7.945 7.856 0.089 1
1 136 . 9 1 1 A 18 18 CYS CA C 18 58.357 59.541 -1.184 1
1 137 . 9 1 1 A 18 18 CYS HA H 18 5.196 4.737 0.459 1
1 138 . 9 1 1 A 18 18 CYS CB C 18 32.462 30.484 1.978 1
1 140 . 9 1 1 A 18 18 CYS C C 18 176.232 175.780 0.452 1
1 142 . 9 1 1 A 19 19 GLY N N 19 113.587 109.890 3.697 1
1 143 . 9 1 1 A 19 19 GLY H H 19 8.233 8.061 0.172 1
1 144 . 9 1 1 A 19 19 GLY CA C 19 46.310 45.007 1.303 1
1 145 . 9 1 1 A 19 19 GLY HA3 H 19 4.284 4.099 0.185 1
1 146 . 9 1 1 A 19 19 GLY C C 19 173.663 174.666 -1.003 1
1 147 . 9 1 1 A 19 19 GLY HA2 H 19 3.758 4.083 -0.325 1
1 148 . 9 1 1 A 20 20 LYS N N 20 122.684 120.385 2.299 1
1 149 . 9 1 1 A 20 20 LYS H H 20 7.972 7.470 0.502 1
1 150 . 9 1 1 A 20 20 LYS CA C 20 58.156 56.694 1.462 1
1 151 . 9 1 1 A 20 20 LYS HA H 20 4.078 4.233 -0.155 1
1 152 . 9 1 1 A 20 20 LYS CB C 20 33.727 33.974 -0.247 1
1 160 . 9 1 1 A 20 20 LYS C C 20 174.656 175.552 -0.896 1
1 165 . 9 1 1 A 21 21 THR N N 21 110.579 111.139 -0.560 1
1 166 . 9 1 1 A 21 21 THR H H 21 7.609 8.362 -0.753 1
1 167 . 9 1 1 A 21 21 THR CA C 21 59.691 59.841 -0.150 1
1 168 . 9 1 1 A 21 21 THR HA H 21 5.205 5.420 -0.215 1
1 169 . 9 1 1 A 21 21 THR CB C 21 71.137 71.472 -0.335 1
1 175 . 9 1 1 A 21 21 THR C C 21 173.496 173.395 0.101 1
1 176 . 9 1 1 A 22 22 PHE N N 22 116.127 119.638 -3.511 1
1 177 . 9 1 1 A 22 22 PHE H H 22 8.683 9.277 -0.594 1
1 178 . 9 1 1 A 22 22 PHE CA C 22 56.997 56.829 0.168 1
1 179 . 9 1 1 A 22 22 PHE HA H 22 4.759 5.169 -0.410 1
1 180 . 9 1 1 A 22 22 PHE CB C 22 44.522 42.230 2.292 1
1 192 . 9 1 1 A 22 22 PHE C C 22 175.274 176.036 -0.762 1
1 194 . 9 1 1 A 23 23 SER N N 23 115.350 119.540 -4.190 1
1 195 . 9 1 1 A 23 23 SER H H 23 9.509 9.018 0.491 1
1 196 . 9 1 1 A 23 23 SER CA C 23 60.097 61.506 -1.409 1
1 197 . 9 1 1 A 23 23 SER HA H 23 4.455 3.976 0.479 1
1 198 . 9 1 1 A 23 23 SER CB C 23 64.104 62.880 1.224 1
1 201 . 9 1 1 A 24 24 HIS N N 24 117.610 117.110 0.500 1
1 202 . 9 1 1 A 24 24 HIS H H 24 7.093 8.420 -1.327 1
1 203 . 9 1 1 A 24 24 HIS CA C 24 55.771 55.706 0.065 1
1 204 . 9 1 1 A 24 24 HIS HA H 24 4.570 5.021 -0.451 1
1 205 . 9 1 1 A 24 24 HIS CB C 24 33.304 32.096 1.208 1
1 212 . 9 1 1 A 25 25 SER H H 25 7.251 8.615 -1.364 1
1 213 . 9 1 1 A 25 25 SER CA C 25 61.178 60.773 0.405 1
1 214 . 9 1 1 A 25 25 SER HA H 25 2.986 2.992 -0.006 1
1 215 . 9 1 1 A 25 25 SER CB C 25 61.917 62.040 -0.123 1
1 218 . 9 1 1 A 26 26 ALA CA C 26 54.851 55.174 -0.323 1
1 219 . 9 1 1 A 26 26 ALA HA H 26 4.129 3.875 0.254 1
1 220 . 9 1 1 A 26 26 ALA CB C 26 18.182 18.362 -0.180 1
1 224 . 9 1 1 A 26 26 ALA C C 26 180.317 179.466 0.851 1
1 225 . 9 1 1 A 27 27 HIS N N 27 116.106 116.048 0.058 1
1 226 . 9 1 1 A 27 27 HIS H H 27 6.999 7.672 -0.673 1
1 227 . 9 1 1 A 27 27 HIS CA C 27 56.588 59.384 -2.796 1
1 228 . 9 1 1 A 27 27 HIS HA H 27 4.470 4.282 0.188 1
1 229 . 9 1 1 A 27 27 HIS CB C 27 31.665 29.775 1.890 1
1 235 . 9 1 1 A 27 27 HIS C C 27 178.498 177.101 1.397 1
1 237 . 9 1 1 A 28 28 LEU N N 28 121.252 120.708 0.544 1
1 238 . 9 1 1 A 28 28 LEU H H 28 6.954 7.821 -0.867 1
1 239 . 9 1 1 A 28 28 LEU CA C 28 57.761 57.882 -0.121 1
1 240 . 9 1 1 A 28 28 LEU HA H 28 3.160 2.933 0.227 1
1 241 . 9 1 1 A 28 28 LEU CB C 28 40.366 41.635 -1.269 1
1 253 . 9 1 1 A 28 28 LEU C C 28 177.469 178.246 -0.777 1
1 255 . 9 1 1 A 29 29 SER N N 29 114.613 113.417 1.196 1
1 256 . 9 1 1 A 29 29 SER H H 29 8.258 8.195 0.063 1
1 257 . 9 1 1 A 29 29 SER CA C 29 62.389 61.429 0.960 1
1 258 . 9 1 1 A 29 29 SER HA H 29 3.861 4.094 -0.233 1
1 259 . 9 1 1 A 29 29 SER CB C 29 62.209 62.543 -0.334 1
1 261 . 9 1 1 A 29 29 SER C C 29 176.889 176.667 0.222 1
1 263 . 9 1 1 A 30 30 LYS N N 30 120.296 122.327 -2.031 1
1 264 . 9 1 1 A 30 30 LYS H H 30 7.420 7.457 -0.037 1
1 265 . 9 1 1 A 30 30 LYS CA C 30 58.898 58.934 -0.036 1
1 266 . 9 1 1 A 30 30 LYS HA H 30 4.064 3.976 0.088 1
1 267 . 9 1 1 A 30 30 LYS CB C 30 32.454 32.225 0.229 1
1 275 . 9 1 1 A 30 30 LYS C C 30 178.850 178.887 -0.037 1
1 280 . 9 1 1 A 31 31 HIS N N 31 119.097 120.100 -1.003 1
1 281 . 9 1 1 A 31 31 HIS H H 31 7.585 8.515 -0.930 1
1 282 . 9 1 1 A 31 31 HIS CA C 31 59.221 59.200 0.021 1
1 283 . 9 1 1 A 31 31 HIS HA H 31 4.186 4.116 0.070 1
1 284 . 9 1 1 A 31 31 HIS CB C 31 28.480 30.003 -1.523 1
1 290 . 9 1 1 A 31 31 HIS C C 31 176.309 176.858 -0.549 1
1 292 . 9 1 1 A 32 32 GLN N N 32 115.041 117.942 -2.901 1
1 293 . 9 1 1 A 32 32 GLN H H 32 8.315 7.710 0.605 1
1 294 . 9 1 1 A 32 32 GLN CA C 32 59.416 58.611 0.805 1
1 295 . 9 1 1 A 32 32 GLN HA H 32 3.715 4.235 -0.520 1
1 296 . 9 1 1 A 32 32 GLN CB C 32 28.247 28.384 -0.137 1
1 303 . 9 1 1 A 32 32 GLN C C 32 177.758 178.945 -1.187 1
1 306 . 9 1 1 A 33 33 LEU N N 33 118.894 120.225 -1.331 1
1 307 . 9 1 1 A 33 33 LEU H H 33 7.181 7.802 -0.621 1
1 308 . 9 1 1 A 33 33 LEU CA C 33 57.476 57.584 -0.108 1
1 309 . 9 1 1 A 33 33 LEU HA H 33 4.056 4.042 0.014 1
1 310 . 9 1 1 A 33 33 LEU CB C 33 41.570 41.227 0.343 1
1 322 . 9 1 1 A 33 33 LEU C C 33 179.710 179.121 0.589 1
1 324 . 9 1 1 A 34 34 ILE N N 34 116.556 115.294 1.262 1
1 325 . 9 1 1 A 34 34 ILE H H 34 7.824 7.633 0.191 1
1 326 . 9 1 1 A 34 34 ILE CA C 34 63.328 64.182 -0.854 1
1 327 . 9 1 1 A 34 34 ILE HA H 34 3.939 3.813 0.126 1
1 328 . 9 1 1 A 34 34 ILE CB C 34 37.595 36.941 0.654 1
1 340 . 9 1 1 A 34 34 ILE C C 34 177.765 177.902 -0.137 1
1 342 . 9 1 1 A 35 35 HIS N N 35 117.319 119.677 -2.358 1
1 343 . 9 1 1 A 35 35 HIS H H 35 7.053 7.476 -0.423 1
1 344 . 9 1 1 A 35 35 HIS CA C 35 55.162 59.049 -3.887 1
1 345 . 9 1 1 A 35 35 HIS HA H 35 4.793 4.254 0.539 1
1 346 . 9 1 1 A 35 35 HIS CB C 35 28.486 30.739 -2.253 1
1 352 . 9 1 1 A 35 35 HIS C C 35 175.328 175.465 -0.137 1
1 354 . 9 1 1 A 36 36 ALA N N 36 122.453 120.464 1.989 1
1 355 . 9 1 1 A 36 36 ALA H H 36 7.546 7.295 0.251 1
1 356 . 9 1 1 A 36 36 ALA CA C 36 53.295 51.678 1.617 1
1 357 . 9 1 1 A 36 36 ALA HA H 36 4.340 4.316 0.024 1
1 358 . 9 1 1 A 36 36 ALA CB C 36 19.226 20.860 -1.634 1
1 362 . 9 1 1 A 36 36 ALA C C 36 178.109 177.701 0.408 1
1 363 . 9 1 1 A 37 37 GLY N N 37 107.129 108.448 -1.319 1
1 364 . 9 1 1 A 37 37 GLY H H 37 8.129 8.801 -0.672 1
1 365 . 9 1 1 A 37 37 GLY CA C 37 45.268 46.429 -1.161 1
1 366 . 9 1 1 A 37 37 GLY HA3 H 37 3.998 4.059 -0.061 1
1 367 . 9 1 1 A 37 37 GLY C C 37 174.043 175.016 -0.973 1
1 368 . 9 1 1 A 37 37 GLY HA2 H 37 3.954 4.054 -0.100 1
1 369 . 9 1 1 A 38 38 GLU N N 38 119.932 125.844 -5.912 1
1 370 . 9 1 1 A 38 38 GLU H H 38 8.057 8.681 -0.624 1
1 371 . 9 1 1 A 38 38 GLU CA C 38 56.397 59.398 -3.001 1
1 372 . 9 1 1 A 38 38 GLU HA H 38 4.284 3.998 0.286 1
1 373 . 9 1 1 A 38 38 GLU CB C 38 30.566 29.601 0.965 1
1 377 . 9 1 1 A 38 38 GLU C C 38 176.062 176.267 -0.205 1
1 380 . 9 1 1 A 39 39 ASN N N 39 120.263 115.433 4.830 1
1 381 . 9 1 1 A 39 39 ASN H H 39 8.524 7.942 0.582 1
1 382 . 9 1 1 A 39 39 ASN CA C 39 51.432 49.536 1.896 1
1 383 . 9 1 1 A 39 39 ASN HA H 39 4.986 5.123 -0.137 1
1 384 . 9 1 1 A 39 39 ASN CB C 39 39.023 41.792 -2.769 1
1 389 . 9 1 1 A 39 39 ASN C C 39 173.352 172.746 0.606 1
1 391 . 9 1 1 A 40 40 PRO CA C 40 63.132 62.435 0.697 1
1 392 . 9 1 1 A 40 40 PRO HA H 40 4.437 4.736 -0.299 1
1 393 . 9 1 1 A 40 40 PRO CB C 40 32.192 30.130 2.062 1
1 402 . 9 1 1 A 41 41 SER N N 41 116.490 119.807 -3.317 1
1 403 . 9 1 1 A 41 41 SER H H 41 8.541 8.089 0.452 1
1 404 . 9 1 1 A 41 41 SER CA C 41 58.569 57.669 0.900 1
1 405 . 9 1 1 A 41 41 SER CB C 41 64.089 65.439 -1.350 1
1 406 . 9 1 1 A 42 42 GLY HA2 H 42 4.122 4.159 -0.037 1
1 407 . 9 1 1 A 43 43 PRO CA C 43 63.258 62.477 0.781 1
1 408 . 9 1 1 A 43 43 PRO HA H 43 4.490 4.566 -0.076 1
1 409 . 9 1 1 A 43 43 PRO CB C 43 32.196 32.884 -0.688 1
1 418 . 9 1 1 A 44 44 SER N N 44 115.698 115.167 0.531 1
1 419 . 9 1 1 A 44 44 SER H H 44 8.413 8.567 -0.154 1
1 420 . 9 1 1 A 44 44 SER CA C 44 58.408 57.880 0.528 1
1 421 . 9 1 1 A 44 44 SER HA H 44 4.489 4.459 0.030 1
1 422 . 9 1 1 A 44 44 SER CB C 44 63.941 63.542 0.399 1
1 424 . 9 1 1 A 45 45 SER CA C 45 58.456 58.053 0.403 1
1 425 . 9 1 1 A 45 45 SER HA H 45 4.490 4.949 -0.459 1
1 426 . 9 1 1 A 45 45 SER CB C 45 64.115 66.995 -2.880 1
1 428 . 9 1 1 A 45 45 SER C C 45 173.910 173.591 0.319 1
1 3 . 10 1 1 A 7 7 GLY CA C 7 45.395 44.788 0.607 1
1 4 . 10 1 1 A 7 7 GLY HA3 H 7 4.028 4.227 -0.199 1
1 5 . 10 1 1 A 7 7 GLY C C 7 174.345 171.958 2.387 1
1 6 . 10 1 1 A 7 7 GLY HA2 H 7 4.028 4.225 -0.197 1
1 7 . 10 1 1 A 8 8 THR N N 8 114.076 119.255 -5.179 1
1 8 . 10 1 1 A 8 8 THR H H 8 8.041 9.090 -1.049 1
1 9 . 10 1 1 A 8 8 THR CA C 8 61.746 60.157 1.589 1
1 10 . 10 1 1 A 8 8 THR HA H 8 4.321 4.917 -0.596 1
1 11 . 10 1 1 A 8 8 THR CB C 8 69.981 70.987 -1.006 1
1 17 . 10 1 1 A 8 8 THR C C 8 174.522 172.591 1.931 1
1 18 . 10 1 1 A 9 9 LYS N N 9 123.558 130.615 -7.057 1
1 19 . 10 1 1 A 9 9 LYS H H 9 8.347 8.729 -0.382 1
1 20 . 10 1 1 A 9 9 LYS CA C 9 56.456 54.964 1.492 1
1 21 . 10 1 1 A 9 9 LYS HA H 9 4.243 4.605 -0.362 1
1 22 . 10 1 1 A 9 9 LYS CB C 9 32.910 32.879 0.031 1
1 29 . 10 1 1 A 9 9 LYS C C 9 176.303 176.419 -0.116 1
1 34 . 10 1 1 A 10 10 GLU N N 10 121.405 123.634 -2.229 1
1 35 . 10 1 1 A 10 10 GLU H H 10 8.292 7.843 0.449 1
1 36 . 10 1 1 A 10 10 GLU CA C 10 56.554 58.779 -2.225 1
1 37 . 10 1 1 A 10 10 GLU HA H 10 4.132 4.102 0.030 1
1 38 . 10 1 1 A 10 10 GLU CB C 10 30.305 30.288 0.017 1
1 42 . 10 1 1 A 10 10 GLU C C 10 176.024 176.065 -0.041 1
1 45 . 10 1 1 A 11 11 HIS N N 11 121.270 115.673 5.597 1
1 46 . 10 1 1 A 11 11 HIS H H 11 8.258 7.896 0.362 1
1 47 . 10 1 1 A 11 11 HIS CA C 11 53.734 54.465 -0.731 1
1 48 . 10 1 1 A 11 11 HIS HA H 11 4.831 4.730 0.101 1
1 49 . 10 1 1 A 11 11 HIS CB C 11 31.178 30.553 0.625 1
1 55 . 10 1 1 A 11 11 HIS C C 11 174.107 175.009 -0.902 1
1 57 . 10 1 1 A 12 12 PRO CA C 12 63.651 64.096 -0.445 1
1 58 . 10 1 1 A 12 12 PRO HA H 12 4.301 4.223 0.078 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.098 31.279 0.819 1
1 65 . 10 1 1 A 12 12 PRO C C 12 176.381 176.043 0.338 1
1 69 . 10 1 1 A 13 13 PHE N N 13 116.995 118.472 -1.477 1
1 70 . 10 1 1 A 13 13 PHE H H 13 7.836 7.650 0.186 1
1 71 . 10 1 1 A 13 13 PHE CA C 13 57.114 56.696 0.418 1
1 72 . 10 1 1 A 13 13 PHE HA H 13 4.804 5.213 -0.409 1
1 73 . 10 1 1 A 13 13 PHE CB C 13 39.642 40.929 -1.287 1
1 85 . 10 1 1 A 13 13 PHE C C 13 174.042 174.261 -0.219 1
1 87 . 10 1 1 A 14 14 LYS N N 14 124.716 123.842 0.874 1
1 88 . 10 1 1 A 14 14 LYS H H 14 8.671 9.173 -0.502 1
1 89 . 10 1 1 A 14 14 LYS CA C 14 55.018 54.647 0.371 1
1 90 . 10 1 1 A 14 14 LYS HA H 14 4.973 5.500 -0.527 1
1 91 . 10 1 1 A 14 14 LYS CB C 14 36.127 36.081 0.046 1
1 99 . 10 1 1 A 14 14 LYS C C 14 174.476 175.718 -1.242 1
1 104 . 10 1 1 A 15 15 CYS N N 15 127.379 125.108 2.271 1
1 105 . 10 1 1 A 15 15 CYS H H 15 9.267 9.273 -0.006 1
1 106 . 10 1 1 A 15 15 CYS CA C 15 59.230 60.205 -0.975 1
1 107 . 10 1 1 A 15 15 CYS HA H 15 4.592 4.595 -0.003 1
1 108 . 10 1 1 A 15 15 CYS CB C 15 29.614 28.602 1.012 1
1 110 . 10 1 1 A 15 15 CYS C C 15 176.798 175.198 1.600 1
1 112 . 10 1 1 A 16 16 ASN N N 16 130.287 126.113 4.174 1
1 113 . 10 1 1 A 16 16 ASN H H 16 9.447 9.035 0.412 1
1 114 . 10 1 1 A 16 16 ASN CA C 16 55.588 54.417 1.171 1
1 115 . 10 1 1 A 16 16 ASN HA H 16 4.548 4.733 -0.185 1
1 116 . 10 1 1 A 16 16 ASN CB C 16 38.414 38.946 -0.532 1
1 121 . 10 1 1 A 16 16 ASN C C 16 175.463 176.634 -1.171 1
1 123 . 10 1 1 A 17 17 GLU N N 17 120.826 118.893 1.933 1
1 124 . 10 1 1 A 17 17 GLU H H 17 8.704 7.810 0.894 1
1 125 . 10 1 1 A 17 17 GLU CA C 17 58.511 58.787 -0.276 1
1 126 . 10 1 1 A 17 17 GLU HA H 17 4.227 3.992 0.235 1
1 127 . 10 1 1 A 17 17 GLU CB C 17 29.478 29.465 0.013 1
1 131 . 10 1 1 A 17 17 GLU C C 17 177.096 177.720 -0.624 1
1 134 . 10 1 1 A 18 18 CYS N N 18 114.551 114.610 -0.059 1
1 135 . 10 1 1 A 18 18 CYS H H 18 7.945 7.868 0.077 1
1 136 . 10 1 1 A 18 18 CYS CA C 18 58.357 59.436 -1.079 1
1 137 . 10 1 1 A 18 18 CYS HA H 18 5.196 4.743 0.453 1
1 138 . 10 1 1 A 18 18 CYS CB C 18 32.462 30.310 2.152 1
1 140 . 10 1 1 A 18 18 CYS C C 18 176.232 175.894 0.338 1
1 142 . 10 1 1 A 19 19 GLY N N 19 113.587 109.959 3.628 1
1 143 . 10 1 1 A 19 19 GLY H H 19 8.233 8.191 0.042 1
1 144 . 10 1 1 A 19 19 GLY CA C 19 46.310 45.097 1.213 1
1 145 . 10 1 1 A 19 19 GLY HA3 H 19 4.284 4.085 0.199 1
1 146 . 10 1 1 A 19 19 GLY C C 19 173.663 174.586 -0.923 1
1 147 . 10 1 1 A 19 19 GLY HA2 H 19 3.758 4.070 -0.312 1
1 148 . 10 1 1 A 20 20 LYS N N 20 122.684 120.238 2.446 1
1 149 . 10 1 1 A 20 20 LYS H H 20 7.972 7.472 0.500 1
1 150 . 10 1 1 A 20 20 LYS CA C 20 58.156 56.103 2.053 1
1 151 . 10 1 1 A 20 20 LYS HA H 20 4.078 4.428 -0.350 1
1 152 . 10 1 1 A 20 20 LYS CB C 20 33.727 34.211 -0.484 1
1 160 . 10 1 1 A 20 20 LYS C C 20 174.656 175.257 -0.601 1
1 165 . 10 1 1 A 21 21 THR N N 21 110.579 110.971 -0.392 1
1 166 . 10 1 1 A 21 21 THR H H 21 7.609 8.116 -0.507 1
1 167 . 10 1 1 A 21 21 THR CA C 21 59.691 60.137 -0.446 1
1 168 . 10 1 1 A 21 21 THR HA H 21 5.205 5.628 -0.423 1
1 169 . 10 1 1 A 21 21 THR CB C 21 71.137 72.265 -1.128 1
1 175 . 10 1 1 A 21 21 THR C C 21 173.496 173.067 0.429 1
1 176 . 10 1 1 A 22 22 PHE N N 22 116.127 119.133 -3.006 1
1 177 . 10 1 1 A 22 22 PHE H H 22 8.683 9.235 -0.552 1
1 178 . 10 1 1 A 22 22 PHE CA C 22 56.997 56.689 0.308 1
1 179 . 10 1 1 A 22 22 PHE HA H 22 4.759 4.985 -0.226 1
1 180 . 10 1 1 A 22 22 PHE CB C 22 44.522 42.803 1.719 1
1 192 . 10 1 1 A 22 22 PHE C C 22 175.274 176.063 -0.789 1
1 194 . 10 1 1 A 23 23 SER N N 23 115.350 118.490 -3.140 1
1 195 . 10 1 1 A 23 23 SER H H 23 9.509 8.594 0.915 1
1 196 . 10 1 1 A 23 23 SER CA C 23 60.097 61.901 -1.804 1
1 197 . 10 1 1 A 23 23 SER HA H 23 4.455 4.149 0.306 1
1 198 . 10 1 1 A 23 23 SER CB C 23 64.104 62.581 1.523 1
1 201 . 10 1 1 A 24 24 HIS N N 24 117.610 118.928 -1.318 1
1 202 . 10 1 1 A 24 24 HIS H H 24 7.093 8.401 -1.308 1
1 203 . 10 1 1 A 24 24 HIS CA C 24 55.771 56.115 -0.344 1
1 204 . 10 1 1 A 24 24 HIS HA H 24 4.570 5.042 -0.472 1
1 205 . 10 1 1 A 24 24 HIS CB C 24 33.304 31.788 1.516 1
1 212 . 10 1 1 A 25 25 SER H H 25 7.251 8.623 -1.372 1
1 213 . 10 1 1 A 25 25 SER CA C 25 61.178 60.722 0.456 1
1 214 . 10 1 1 A 25 25 SER HA H 25 2.986 2.770 0.216 1
1 215 . 10 1 1 A 25 25 SER CB C 25 61.917 62.162 -0.245 1
1 218 . 10 1 1 A 26 26 ALA CA C 26 54.851 55.145 -0.294 1
1 219 . 10 1 1 A 26 26 ALA HA H 26 4.129 3.858 0.271 1
1 220 . 10 1 1 A 26 26 ALA CB C 26 18.182 18.369 -0.187 1
1 224 . 10 1 1 A 26 26 ALA C C 26 180.317 179.304 1.013 1
1 225 . 10 1 1 A 27 27 HIS N N 27 116.106 115.853 0.253 1
1 226 . 10 1 1 A 27 27 HIS H H 27 6.999 7.706 -0.707 1
1 227 . 10 1 1 A 27 27 HIS CA C 27 56.588 59.410 -2.822 1
1 228 . 10 1 1 A 27 27 HIS HA H 27 4.470 4.269 0.201 1
1 229 . 10 1 1 A 27 27 HIS CB C 27 31.665 30.020 1.645 1
1 235 . 10 1 1 A 27 27 HIS C C 27 178.498 177.419 1.079 1
1 237 . 10 1 1 A 28 28 LEU N N 28 121.252 120.759 0.493 1
1 238 . 10 1 1 A 28 28 LEU H H 28 6.954 8.008 -1.054 1
1 239 . 10 1 1 A 28 28 LEU CA C 28 57.761 57.767 -0.006 1
1 240 . 10 1 1 A 28 28 LEU HA H 28 3.160 2.718 0.442 1
1 241 . 10 1 1 A 28 28 LEU CB C 28 40.366 41.531 -1.165 1
1 253 . 10 1 1 A 28 28 LEU C C 28 177.469 178.298 -0.829 1
1 255 . 10 1 1 A 29 29 SER N N 29 114.613 113.539 1.074 1
1 256 . 10 1 1 A 29 29 SER H H 29 8.258 8.015 0.243 1
1 257 . 10 1 1 A 29 29 SER CA C 29 62.389 61.363 1.026 1
1 258 . 10 1 1 A 29 29 SER HA H 29 3.861 4.080 -0.219 1
1 259 . 10 1 1 A 29 29 SER CB C 29 62.209 62.430 -0.221 1
1 261 . 10 1 1 A 29 29 SER C C 29 176.889 176.491 0.398 1
1 263 . 10 1 1 A 30 30 LYS N N 30 120.296 122.308 -2.012 1
1 264 . 10 1 1 A 30 30 LYS H H 30 7.420 7.652 -0.232 1
1 265 . 10 1 1 A 30 30 LYS CA C 30 58.898 58.696 0.202 1
1 266 . 10 1 1 A 30 30 LYS HA H 30 4.064 3.997 0.067 1
1 267 . 10 1 1 A 30 30 LYS CB C 30 32.454 31.933 0.521 1
1 275 . 10 1 1 A 30 30 LYS C C 30 178.850 178.475 0.375 1
1 280 . 10 1 1 A 31 31 HIS N N 31 119.097 119.249 -0.152 1
1 281 . 10 1 1 A 31 31 HIS H H 31 7.585 8.206 -0.621 1
1 282 . 10 1 1 A 31 31 HIS CA C 31 59.221 58.257 0.964 1
1 283 . 10 1 1 A 31 31 HIS HA H 31 4.186 4.209 -0.023 1
1 284 . 10 1 1 A 31 31 HIS CB C 31 28.480 30.392 -1.912 1
1 290 . 10 1 1 A 31 31 HIS C C 31 176.309 177.005 -0.696 1
1 292 . 10 1 1 A 32 32 GLN N N 32 115.041 117.961 -2.920 1
1 293 . 10 1 1 A 32 32 GLN H H 32 8.315 7.810 0.505 1
1 294 . 10 1 1 A 32 32 GLN CA C 32 59.416 58.666 0.750 1
1 295 . 10 1 1 A 32 32 GLN HA H 32 3.715 4.340 -0.625 1
1 296 . 10 1 1 A 32 32 GLN CB C 32 28.247 28.449 -0.202 1
1 303 . 10 1 1 A 32 32 GLN C C 32 177.758 179.049 -1.291 1
1 306 . 10 1 1 A 33 33 LEU N N 33 118.894 120.123 -1.229 1
1 307 . 10 1 1 A 33 33 LEU H H 33 7.181 7.538 -0.357 1
1 308 . 10 1 1 A 33 33 LEU CA C 33 57.476 57.848 -0.372 1
1 309 . 10 1 1 A 33 33 LEU HA H 33 4.056 4.049 0.007 1
1 310 . 10 1 1 A 33 33 LEU CB C 33 41.570 41.287 0.283 1
1 322 . 10 1 1 A 33 33 LEU C C 33 179.710 179.291 0.419 1
1 324 . 10 1 1 A 34 34 ILE N N 34 116.556 115.684 0.872 1
1 325 . 10 1 1 A 34 34 ILE H H 34 7.824 7.608 0.216 1
1 326 . 10 1 1 A 34 34 ILE CA C 34 63.328 64.188 -0.860 1
1 327 . 10 1 1 A 34 34 ILE HA H 34 3.939 3.773 0.166 1
1 328 . 10 1 1 A 34 34 ILE CB C 34 37.595 37.117 0.478 1
1 340 . 10 1 1 A 34 34 ILE C C 34 177.765 178.033 -0.268 1
1 342 . 10 1 1 A 35 35 HIS N N 35 117.319 120.906 -3.587 1
1 343 . 10 1 1 A 35 35 HIS H H 35 7.053 7.827 -0.774 1
1 344 . 10 1 1 A 35 35 HIS CA C 35 55.162 59.974 -4.812 1
1 345 . 10 1 1 A 35 35 HIS HA H 35 4.793 4.188 0.605 1
1 346 . 10 1 1 A 35 35 HIS CB C 35 28.486 29.855 -1.369 1
1 352 . 10 1 1 A 35 35 HIS C C 35 175.328 175.912 -0.584 1
1 354 . 10 1 1 A 36 36 ALA N N 36 122.453 119.526 2.927 1
1 355 . 10 1 1 A 36 36 ALA H H 36 7.546 7.328 0.218 1
1 356 . 10 1 1 A 36 36 ALA CA C 36 53.295 52.047 1.248 1
1 357 . 10 1 1 A 36 36 ALA HA H 36 4.340 4.418 -0.078 1
1 358 . 10 1 1 A 36 36 ALA CB C 36 19.226 19.273 -0.047 1
1 362 . 10 1 1 A 36 36 ALA C C 36 178.109 178.567 -0.458 1
1 363 . 10 1 1 A 37 37 GLY N N 37 107.129 107.480 -0.351 1
1 364 . 10 1 1 A 37 37 GLY H H 37 8.129 8.356 -0.227 1
1 365 . 10 1 1 A 37 37 GLY CA C 37 45.268 45.614 -0.346 1
1 366 . 10 1 1 A 37 37 GLY HA3 H 37 3.998 3.916 0.082 1
1 367 . 10 1 1 A 37 37 GLY C C 37 174.043 174.349 -0.306 1
1 368 . 10 1 1 A 37 37 GLY HA2 H 37 3.954 3.910 0.044 1
1 369 . 10 1 1 A 38 38 GLU N N 38 119.932 116.939 2.993 1
1 370 . 10 1 1 A 38 38 GLU H H 38 8.057 8.049 0.008 1
1 371 . 10 1 1 A 38 38 GLU CA C 38 56.397 56.176 0.221 1
1 372 . 10 1 1 A 38 38 GLU HA H 38 4.284 4.306 -0.022 1
1 373 . 10 1 1 A 38 38 GLU CB C 38 30.566 29.204 1.362 1
1 377 . 10 1 1 A 38 38 GLU C C 38 176.062 176.753 -0.691 1
1 380 . 10 1 1 A 39 39 ASN N N 39 120.263 117.680 2.583 1
1 381 . 10 1 1 A 39 39 ASN H H 39 8.524 8.168 0.356 1
1 382 . 10 1 1 A 39 39 ASN CA C 39 51.432 50.697 0.735 1
1 383 . 10 1 1 A 39 39 ASN HA H 39 4.986 5.146 -0.160 1
1 384 . 10 1 1 A 39 39 ASN CB C 39 39.023 38.985 0.038 1
1 389 . 10 1 1 A 39 39 ASN C C 39 173.352 173.716 -0.364 1
1 391 . 10 1 1 A 40 40 PRO CA C 40 63.132 62.779 0.353 1
1 392 . 10 1 1 A 40 40 PRO HA H 40 4.437 4.678 -0.241 1
1 393 . 10 1 1 A 40 40 PRO CB C 40 32.192 33.470 -1.278 1
1 402 . 10 1 1 A 41 41 SER N N 41 116.490 117.731 -1.241 1
1 403 . 10 1 1 A 41 41 SER H H 41 8.541 8.812 -0.271 1
1 404 . 10 1 1 A 41 41 SER CA C 41 58.569 57.136 1.433 1
1 405 . 10 1 1 A 41 41 SER CB C 41 64.089 63.912 0.177 1
1 406 . 10 1 1 A 42 42 GLY HA2 H 42 4.122 4.070 0.052 1
1 407 . 10 1 1 A 43 43 PRO CA C 43 63.258 63.898 -0.640 1
1 408 . 10 1 1 A 43 43 PRO HA H 43 4.490 4.400 0.090 1
1 409 . 10 1 1 A 43 43 PRO CB C 43 32.196 31.754 0.442 1
1 418 . 10 1 1 A 44 44 SER N N 44 115.698 115.782 -0.084 1
1 419 . 10 1 1 A 44 44 SER H H 44 8.413 7.858 0.555 1
1 420 . 10 1 1 A 44 44 SER CA C 44 58.408 57.238 1.170 1
1 421 . 10 1 1 A 44 44 SER HA H 44 4.489 4.427 0.062 1
1 422 . 10 1 1 A 44 44 SER CB C 44 63.941 65.261 -1.320 1
1 424 . 10 1 1 A 45 45 SER CA C 45 58.456 62.480 -4.024 1
1 425 . 10 1 1 A 45 45 SER HA H 45 4.490 4.158 0.332 1
1 426 . 10 1 1 A 45 45 SER CB C 45 64.115 62.416 1.699 1
1 428 . 10 1 1 A 45 45 SER C C 45 173.910 175.608 -1.698 1
1 3 . 11 1 1 A 7 7 GLY CA C 7 45.395 46.664 -1.269 1
1 4 . 11 1 1 A 7 7 GLY HA3 H 7 4.028 4.006 0.022 1
1 5 . 11 1 1 A 7 7 GLY C C 7 174.345 173.967 0.378 1
1 6 . 11 1 1 A 7 7 GLY HA2 H 7 4.028 4.002 0.026 1
1 7 . 11 1 1 A 8 8 THR N N 8 114.076 112.600 1.476 1
1 8 . 11 1 1 A 8 8 THR H H 8 8.041 8.030 0.011 1
1 9 . 11 1 1 A 8 8 THR CA C 8 61.746 60.147 1.599 1
1 10 . 11 1 1 A 8 8 THR HA H 8 4.321 4.962 -0.641 1
1 11 . 11 1 1 A 8 8 THR CB C 8 69.981 70.947 -0.966 1
1 17 . 11 1 1 A 8 8 THR C C 8 174.522 174.766 -0.244 1
1 18 . 11 1 1 A 9 9 LYS N N 9 123.558 122.221 1.337 1
1 19 . 11 1 1 A 9 9 LYS H H 9 8.347 8.463 -0.116 1
1 20 . 11 1 1 A 9 9 LYS CA C 9 56.456 56.892 -0.436 1
1 21 . 11 1 1 A 9 9 LYS HA H 9 4.243 4.270 -0.027 1
1 22 . 11 1 1 A 9 9 LYS CB C 9 32.910 33.225 -0.315 1
1 29 . 11 1 1 A 9 9 LYS C C 9 176.303 176.436 -0.133 1
1 34 . 11 1 1 A 10 10 GLU N N 10 121.405 124.729 -3.324 1
1 35 . 11 1 1 A 10 10 GLU H H 10 8.292 9.132 -0.840 1
1 36 . 11 1 1 A 10 10 GLU CA C 10 56.554 57.983 -1.429 1
1 37 . 11 1 1 A 10 10 GLU HA H 10 4.132 4.522 -0.390 1
1 38 . 11 1 1 A 10 10 GLU CB C 10 30.305 32.171 -1.866 1
1 42 . 11 1 1 A 10 10 GLU C C 10 176.024 175.108 0.916 1
1 45 . 11 1 1 A 11 11 HIS N N 11 121.270 115.259 6.011 1
1 46 . 11 1 1 A 11 11 HIS H H 11 8.258 8.185 0.073 1
1 47 . 11 1 1 A 11 11 HIS CA C 11 53.734 54.019 -0.285 1
1 48 . 11 1 1 A 11 11 HIS HA H 11 4.831 4.858 -0.027 1
1 49 . 11 1 1 A 11 11 HIS CB C 11 31.178 31.220 -0.042 1
1 55 . 11 1 1 A 11 11 HIS C C 11 174.107 174.907 -0.800 1
1 57 . 11 1 1 A 12 12 PRO CA C 12 63.651 64.079 -0.428 1
1 58 . 11 1 1 A 12 12 PRO HA H 12 4.301 4.236 0.065 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.098 31.230 0.868 1
1 65 . 11 1 1 A 12 12 PRO C C 12 176.381 175.986 0.395 1
1 69 . 11 1 1 A 13 13 PHE N N 13 116.995 118.634 -1.639 1
1 70 . 11 1 1 A 13 13 PHE H H 13 7.836 7.563 0.273 1
1 71 . 11 1 1 A 13 13 PHE CA C 13 57.114 56.633 0.481 1
1 72 . 11 1 1 A 13 13 PHE HA H 13 4.804 5.256 -0.452 1
1 73 . 11 1 1 A 13 13 PHE CB C 13 39.642 40.880 -1.238 1
1 85 . 11 1 1 A 13 13 PHE C C 13 174.042 174.069 -0.027 1
1 87 . 11 1 1 A 14 14 LYS N N 14 124.716 124.808 -0.092 1
1 88 . 11 1 1 A 14 14 LYS H H 14 8.671 9.152 -0.481 1
1 89 . 11 1 1 A 14 14 LYS CA C 14 55.018 54.538 0.480 1
1 90 . 11 1 1 A 14 14 LYS HA H 14 4.973 5.484 -0.511 1
1 91 . 11 1 1 A 14 14 LYS CB C 14 36.127 36.466 -0.339 1
1 99 . 11 1 1 A 14 14 LYS C C 14 174.476 175.349 -0.873 1
1 104 . 11 1 1 A 15 15 CYS N N 15 127.379 125.033 2.346 1
1 105 . 11 1 1 A 15 15 CYS H H 15 9.267 9.456 -0.189 1
1 106 . 11 1 1 A 15 15 CYS CA C 15 59.230 58.866 0.364 1
1 107 . 11 1 1 A 15 15 CYS HA H 15 4.592 4.723 -0.131 1
1 108 . 11 1 1 A 15 15 CYS CB C 15 29.614 27.969 1.645 1
1 110 . 11 1 1 A 15 15 CYS C C 15 176.798 175.916 0.882 1
1 112 . 11 1 1 A 16 16 ASN N N 16 130.287 126.906 3.381 1
1 113 . 11 1 1 A 16 16 ASN H H 16 9.447 9.153 0.294 1
1 114 . 11 1 1 A 16 16 ASN CA C 16 55.588 55.767 -0.179 1
1 115 . 11 1 1 A 16 16 ASN HA H 16 4.548 4.485 0.063 1
1 116 . 11 1 1 A 16 16 ASN CB C 16 38.414 38.364 0.050 1
1 121 . 11 1 1 A 16 16 ASN C C 16 175.463 176.923 -1.460 1
1 123 . 11 1 1 A 17 17 GLU N N 17 120.826 118.463 2.363 1
1 124 . 11 1 1 A 17 17 GLU H H 17 8.704 8.075 0.629 1
1 125 . 11 1 1 A 17 17 GLU CA C 17 58.511 58.999 -0.488 1
1 126 . 11 1 1 A 17 17 GLU HA H 17 4.227 3.914 0.313 1
1 127 . 11 1 1 A 17 17 GLU CB C 17 29.478 28.979 0.499 1
1 131 . 11 1 1 A 17 17 GLU C C 17 177.096 178.115 -1.019 1
1 134 . 11 1 1 A 18 18 CYS N N 18 114.551 114.919 -0.368 1
1 135 . 11 1 1 A 18 18 CYS H H 18 7.945 7.859 0.086 1
1 136 . 11 1 1 A 18 18 CYS CA C 18 58.357 59.350 -0.993 1
1 137 . 11 1 1 A 18 18 CYS HA H 18 5.196 4.717 0.479 1
1 138 . 11 1 1 A 18 18 CYS CB C 18 32.462 30.380 2.082 1
1 140 . 11 1 1 A 18 18 CYS C C 18 176.232 175.711 0.521 1
1 142 . 11 1 1 A 19 19 GLY N N 19 113.587 110.098 3.489 1
1 143 . 11 1 1 A 19 19 GLY H H 19 8.233 8.304 -0.071 1
1 144 . 11 1 1 A 19 19 GLY CA C 19 46.310 45.033 1.277 1
1 145 . 11 1 1 A 19 19 GLY HA3 H 19 4.284 4.088 0.196 1
1 146 . 11 1 1 A 19 19 GLY C C 19 173.663 174.508 -0.845 1
1 147 . 11 1 1 A 19 19 GLY HA2 H 19 3.758 4.074 -0.316 1
1 148 . 11 1 1 A 20 20 LYS N N 20 122.684 120.346 2.338 1
1 149 . 11 1 1 A 20 20 LYS H H 20 7.972 7.347 0.625 1
1 150 . 11 1 1 A 20 20 LYS CA C 20 58.156 56.522 1.634 1
1 151 . 11 1 1 A 20 20 LYS HA H 20 4.078 4.241 -0.163 1
1 152 . 11 1 1 A 20 20 LYS CB C 20 33.727 34.112 -0.385 1
1 160 . 11 1 1 A 20 20 LYS C C 20 174.656 175.486 -0.830 1
1 165 . 11 1 1 A 21 21 THR N N 21 110.579 111.162 -0.583 1
1 166 . 11 1 1 A 21 21 THR H H 21 7.609 8.343 -0.734 1
1 167 . 11 1 1 A 21 21 THR CA C 21 59.691 60.010 -0.319 1
1 168 . 11 1 1 A 21 21 THR HA H 21 5.205 5.429 -0.224 1
1 169 . 11 1 1 A 21 21 THR CB C 21 71.137 71.353 -0.216 1
1 175 . 11 1 1 A 21 21 THR C C 21 173.496 173.068 0.428 1
1 176 . 11 1 1 A 22 22 PHE N N 22 116.127 119.523 -3.396 1
1 177 . 11 1 1 A 22 22 PHE H H 22 8.683 9.286 -0.603 1
1 178 . 11 1 1 A 22 22 PHE CA C 22 56.997 57.177 -0.180 1
1 179 . 11 1 1 A 22 22 PHE HA H 22 4.759 5.132 -0.373 1
1 180 . 11 1 1 A 22 22 PHE CB C 22 44.522 42.819 1.703 1
1 192 . 11 1 1 A 22 22 PHE C C 22 175.274 176.054 -0.780 1
1 194 . 11 1 1 A 23 23 SER N N 23 115.350 118.535 -3.185 1
1 195 . 11 1 1 A 23 23 SER H H 23 9.509 8.888 0.621 1
1 196 . 11 1 1 A 23 23 SER CA C 23 60.097 61.498 -1.401 1
1 197 . 11 1 1 A 23 23 SER HA H 23 4.455 4.087 0.368 1
1 198 . 11 1 1 A 23 23 SER CB C 23 64.104 63.177 0.927 1
1 201 . 11 1 1 A 24 24 HIS N N 24 117.610 116.617 0.993 1
1 202 . 11 1 1 A 24 24 HIS H H 24 7.093 8.439 -1.346 1
1 203 . 11 1 1 A 24 24 HIS CA C 24 55.771 55.635 0.136 1
1 204 . 11 1 1 A 24 24 HIS HA H 24 4.570 5.019 -0.449 1
1 205 . 11 1 1 A 24 24 HIS CB C 24 33.304 32.127 1.177 1
1 212 . 11 1 1 A 25 25 SER H H 25 7.251 8.548 -1.297 1
1 213 . 11 1 1 A 25 25 SER CA C 25 61.178 60.785 0.393 1
1 214 . 11 1 1 A 25 25 SER HA H 25 2.986 2.986 0.000 1
1 215 . 11 1 1 A 25 25 SER CB C 25 61.917 62.254 -0.337 1
1 218 . 11 1 1 A 26 26 ALA CA C 26 54.851 55.160 -0.309 1
1 219 . 11 1 1 A 26 26 ALA HA H 26 4.129 3.881 0.248 1
1 220 . 11 1 1 A 26 26 ALA CB C 26 18.182 18.378 -0.196 1
1 224 . 11 1 1 A 26 26 ALA C C 26 180.317 179.402 0.915 1
1 225 . 11 1 1 A 27 27 HIS N N 27 116.106 115.965 0.141 1
1 226 . 11 1 1 A 27 27 HIS H H 27 6.999 7.675 -0.676 1
1 227 . 11 1 1 A 27 27 HIS CA C 27 56.588 59.303 -2.715 1
1 228 . 11 1 1 A 27 27 HIS HA H 27 4.470 4.285 0.185 1
1 229 . 11 1 1 A 27 27 HIS CB C 27 31.665 30.220 1.445 1
1 235 . 11 1 1 A 27 27 HIS C C 27 178.498 177.137 1.361 1
1 237 . 11 1 1 A 28 28 LEU N N 28 121.252 120.768 0.484 1
1 238 . 11 1 1 A 28 28 LEU H H 28 6.954 7.922 -0.968 1
1 239 . 11 1 1 A 28 28 LEU CA C 28 57.761 57.910 -0.149 1
1 240 . 11 1 1 A 28 28 LEU HA H 28 3.160 3.003 0.157 1
1 241 . 11 1 1 A 28 28 LEU CB C 28 40.366 41.711 -1.345 1
1 253 . 11 1 1 A 28 28 LEU C C 28 177.469 178.203 -0.734 1
1 255 . 11 1 1 A 29 29 SER N N 29 114.613 113.470 1.143 1
1 256 . 11 1 1 A 29 29 SER H H 29 8.258 8.236 0.022 1
1 257 . 11 1 1 A 29 29 SER CA C 29 62.389 61.449 0.940 1
1 258 . 11 1 1 A 29 29 SER HA H 29 3.861 4.112 -0.251 1
1 259 . 11 1 1 A 29 29 SER CB C 29 62.209 62.626 -0.417 1
1 261 . 11 1 1 A 29 29 SER C C 29 176.889 176.693 0.196 1
1 263 . 11 1 1 A 30 30 LYS N N 30 120.296 122.315 -2.019 1
1 264 . 11 1 1 A 30 30 LYS H H 30 7.420 7.395 0.025 1
1 265 . 11 1 1 A 30 30 LYS CA C 30 58.898 58.844 0.054 1
1 266 . 11 1 1 A 30 30 LYS HA H 30 4.064 3.991 0.073 1
1 267 . 11 1 1 A 30 30 LYS CB C 30 32.454 32.163 0.291 1
1 275 . 11 1 1 A 30 30 LYS C C 30 178.850 178.664 0.186 1
1 280 . 11 1 1 A 31 31 HIS N N 31 119.097 119.934 -0.837 1
1 281 . 11 1 1 A 31 31 HIS H H 31 7.585 8.262 -0.677 1
1 282 . 11 1 1 A 31 31 HIS CA C 31 59.221 58.869 0.352 1
1 283 . 11 1 1 A 31 31 HIS HA H 31 4.186 4.140 0.046 1
1 284 . 11 1 1 A 31 31 HIS CB C 31 28.480 29.970 -1.490 1
1 290 . 11 1 1 A 31 31 HIS C C 31 176.309 176.954 -0.645 1
1 292 . 11 1 1 A 32 32 GLN N N 32 115.041 118.369 -3.328 1
1 293 . 11 1 1 A 32 32 GLN H H 32 8.315 7.773 0.542 1
1 294 . 11 1 1 A 32 32 GLN CA C 32 59.416 58.450 0.966 1
1 295 . 11 1 1 A 32 32 GLN HA H 32 3.715 4.210 -0.495 1
1 296 . 11 1 1 A 32 32 GLN CB C 32 28.247 28.268 -0.021 1
1 303 . 11 1 1 A 32 32 GLN C C 32 177.758 178.870 -1.112 1
1 306 . 11 1 1 A 33 33 LEU N N 33 118.894 120.309 -1.415 1
1 307 . 11 1 1 A 33 33 LEU H H 33 7.181 7.575 -0.394 1
1 308 . 11 1 1 A 33 33 LEU CA C 33 57.476 57.812 -0.336 1
1 309 . 11 1 1 A 33 33 LEU HA H 33 4.056 4.006 0.050 1
1 310 . 11 1 1 A 33 33 LEU CB C 33 41.570 41.404 0.166 1
1 322 . 11 1 1 A 33 33 LEU C C 33 179.710 179.317 0.393 1
1 324 . 11 1 1 A 34 34 ILE N N 34 116.556 115.118 1.438 1
1 325 . 11 1 1 A 34 34 ILE H H 34 7.824 7.577 0.247 1
1 326 . 11 1 1 A 34 34 ILE CA C 34 63.328 64.150 -0.822 1
1 327 . 11 1 1 A 34 34 ILE HA H 34 3.939 3.794 0.145 1
1 328 . 11 1 1 A 34 34 ILE CB C 34 37.595 36.922 0.673 1
1 340 . 11 1 1 A 34 34 ILE C C 34 177.765 177.850 -0.085 1
1 342 . 11 1 1 A 35 35 HIS N N 35 117.319 120.022 -2.703 1
1 343 . 11 1 1 A 35 35 HIS H H 35 7.053 8.013 -0.960 1
1 344 . 11 1 1 A 35 35 HIS CA C 35 55.162 59.865 -4.703 1
1 345 . 11 1 1 A 35 35 HIS HA H 35 4.793 4.226 0.567 1
1 346 . 11 1 1 A 35 35 HIS CB C 35 28.486 30.675 -2.189 1
1 352 . 11 1 1 A 35 35 HIS C C 35 175.328 176.047 -0.719 1
1 354 . 11 1 1 A 36 36 ALA N N 36 122.453 120.582 1.871 1
1 355 . 11 1 1 A 36 36 ALA H H 36 7.546 6.977 0.569 1
1 356 . 11 1 1 A 36 36 ALA CA C 36 53.295 52.008 1.287 1
1 357 . 11 1 1 A 36 36 ALA HA H 36 4.340 4.233 0.107 1
1 358 . 11 1 1 A 36 36 ALA CB C 36 19.226 20.396 -1.170 1
1 362 . 11 1 1 A 36 36 ALA C C 36 178.109 178.411 -0.302 1
1 363 . 11 1 1 A 37 37 GLY N N 37 107.129 106.498 0.631 1
1 364 . 11 1 1 A 37 37 GLY H H 37 8.129 8.687 -0.558 1
1 365 . 11 1 1 A 37 37 GLY CA C 37 45.268 47.442 -2.174 1
1 366 . 11 1 1 A 37 37 GLY HA3 H 37 3.998 3.790 0.208 1
1 367 . 11 1 1 A 37 37 GLY C C 37 174.043 175.625 -1.582 1
1 368 . 11 1 1 A 37 37 GLY HA2 H 37 3.954 3.787 0.167 1
1 369 . 11 1 1 A 38 38 GLU N N 38 119.932 119.658 0.274 1
1 370 . 11 1 1 A 38 38 GLU H H 38 8.057 7.804 0.253 1
1 371 . 11 1 1 A 38 38 GLU CA C 38 56.397 55.893 0.504 1
1 372 . 11 1 1 A 38 38 GLU HA H 38 4.284 4.352 -0.068 1
1 373 . 11 1 1 A 38 38 GLU CB C 38 30.566 28.344 2.222 1
1 377 . 11 1 1 A 38 38 GLU C C 38 176.062 175.282 0.780 1
1 380 . 11 1 1 A 39 39 ASN N N 39 120.263 119.439 0.824 1
1 381 . 11 1 1 A 39 39 ASN H H 39 8.524 8.654 -0.130 1
1 382 . 11 1 1 A 39 39 ASN CA C 39 51.432 50.662 0.770 1
1 383 . 11 1 1 A 39 39 ASN HA H 39 4.986 5.301 -0.315 1
1 384 . 11 1 1 A 39 39 ASN CB C 39 39.023 41.364 -2.341 1
1 389 . 11 1 1 A 39 39 ASN C C 39 173.352 172.940 0.412 1
1 391 . 11 1 1 A 40 40 PRO CA C 40 63.132 62.352 0.780 1
1 392 . 11 1 1 A 40 40 PRO HA H 40 4.437 4.638 -0.201 1
1 393 . 11 1 1 A 40 40 PRO CB C 40 32.192 32.698 -0.506 1
1 402 . 11 1 1 A 41 41 SER N N 41 116.490 115.226 1.264 1
1 403 . 11 1 1 A 41 41 SER H H 41 8.541 8.413 0.128 1
1 404 . 11 1 1 A 41 41 SER CA C 41 58.569 56.695 1.874 1
1 405 . 11 1 1 A 41 41 SER CB C 41 64.089 65.778 -1.689 1
1 406 . 11 1 1 A 42 42 GLY HA2 H 42 4.122 4.222 -0.100 1
1 407 . 11 1 1 A 43 43 PRO CA C 43 63.258 62.677 0.581 1
1 408 . 11 1 1 A 43 43 PRO HA H 43 4.490 4.765 -0.275 1
1 409 . 11 1 1 A 43 43 PRO CB C 43 32.196 32.771 -0.575 1
1 418 . 11 1 1 A 44 44 SER N N 44 115.698 114.735 0.963 1
1 419 . 11 1 1 A 44 44 SER H H 44 8.413 8.370 0.043 1
1 420 . 11 1 1 A 44 44 SER CA C 44 58.408 57.671 0.737 1
1 421 . 11 1 1 A 44 44 SER HA H 44 4.489 5.106 -0.617 1
1 422 . 11 1 1 A 44 44 SER CB C 44 63.941 65.866 -1.925 1
1 424 . 11 1 1 A 45 45 SER CA C 45 58.456 60.186 -1.730 1
1 425 . 11 1 1 A 45 45 SER HA H 45 4.490 4.281 0.209 1
1 426 . 11 1 1 A 45 45 SER CB C 45 64.115 62.993 1.122 1
1 428 . 11 1 1 A 45 45 SER C C 45 173.910 175.083 -1.173 1
1 3 . 12 1 1 A 7 7 GLY CA C 7 45.395 45.790 -0.395 1
1 4 . 12 1 1 A 7 7 GLY HA3 H 7 4.028 4.021 0.007 1
1 5 . 12 1 1 A 7 7 GLY C C 7 174.345 172.573 1.772 1
1 6 . 12 1 1 A 7 7 GLY HA2 H 7 4.028 4.021 0.007 1
1 7 . 12 1 1 A 8 8 THR N N 8 114.076 118.642 -4.566 1
1 8 . 12 1 1 A 8 8 THR H H 8 8.041 8.672 -0.631 1
1 9 . 12 1 1 A 8 8 THR CA C 8 61.746 60.596 1.150 1
1 10 . 12 1 1 A 8 8 THR HA H 8 4.321 4.725 -0.404 1
1 11 . 12 1 1 A 8 8 THR CB C 8 69.981 69.415 0.566 1
1 17 . 12 1 1 A 8 8 THR C C 8 174.522 172.916 1.606 1
1 18 . 12 1 1 A 9 9 LYS N N 9 123.558 128.186 -4.628 1
1 19 . 12 1 1 A 9 9 LYS H H 9 8.347 8.704 -0.357 1
1 20 . 12 1 1 A 9 9 LYS CA C 9 56.456 55.664 0.792 1
1 21 . 12 1 1 A 9 9 LYS HA H 9 4.243 4.727 -0.484 1
1 22 . 12 1 1 A 9 9 LYS CB C 9 32.910 31.561 1.349 1
1 29 . 12 1 1 A 9 9 LYS C C 9 176.303 175.139 1.164 1
1 34 . 12 1 1 A 10 10 GLU N N 10 121.405 123.856 -2.451 1
1 35 . 12 1 1 A 10 10 GLU H H 10 8.292 8.164 0.128 1
1 36 . 12 1 1 A 10 10 GLU CA C 10 56.554 54.669 1.885 1
1 37 . 12 1 1 A 10 10 GLU HA H 10 4.132 4.817 -0.685 1
1 38 . 12 1 1 A 10 10 GLU CB C 10 30.305 33.122 -2.817 1
1 42 . 12 1 1 A 10 10 GLU C C 10 176.024 176.819 -0.795 1
1 45 . 12 1 1 A 11 11 HIS N N 11 121.270 119.119 2.151 1
1 46 . 12 1 1 A 11 11 HIS H H 11 8.258 8.560 -0.302 1
1 47 . 12 1 1 A 11 11 HIS CA C 11 53.734 55.544 -1.810 1
1 48 . 12 1 1 A 11 11 HIS HA H 11 4.831 4.486 0.345 1
1 49 . 12 1 1 A 11 11 HIS CB C 11 31.178 29.748 1.430 1
1 55 . 12 1 1 A 11 11 HIS C C 11 174.107 175.483 -1.376 1
1 57 . 12 1 1 A 12 12 PRO CA C 12 63.651 64.221 -0.570 1
1 58 . 12 1 1 A 12 12 PRO HA H 12 4.301 4.213 0.088 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.098 31.112 0.986 1
1 65 . 12 1 1 A 12 12 PRO C C 12 176.381 175.943 0.438 1
1 69 . 12 1 1 A 13 13 PHE N N 13 116.995 118.390 -1.395 1
1 70 . 12 1 1 A 13 13 PHE H H 13 7.836 7.562 0.274 1
1 71 . 12 1 1 A 13 13 PHE CA C 13 57.114 56.703 0.411 1
1 72 . 12 1 1 A 13 13 PHE HA H 13 4.804 5.290 -0.486 1
1 73 . 12 1 1 A 13 13 PHE CB C 13 39.642 41.581 -1.939 1
1 85 . 12 1 1 A 13 13 PHE C C 13 174.042 174.183 -0.141 1
1 87 . 12 1 1 A 14 14 LYS N N 14 124.716 123.632 1.084 1
1 88 . 12 1 1 A 14 14 LYS H H 14 8.671 9.002 -0.331 1
1 89 . 12 1 1 A 14 14 LYS CA C 14 55.018 54.899 0.119 1
1 90 . 12 1 1 A 14 14 LYS HA H 14 4.973 5.367 -0.394 1
1 91 . 12 1 1 A 14 14 LYS CB C 14 36.127 36.407 -0.280 1
1 99 . 12 1 1 A 14 14 LYS C C 14 174.476 175.482 -1.006 1
1 104 . 12 1 1 A 15 15 CYS N N 15 127.379 125.225 2.154 1
1 105 . 12 1 1 A 15 15 CYS H H 15 9.267 9.416 -0.149 1
1 106 . 12 1 1 A 15 15 CYS CA C 15 59.230 60.281 -1.051 1
1 107 . 12 1 1 A 15 15 CYS HA H 15 4.592 4.554 0.038 1
1 108 . 12 1 1 A 15 15 CYS CB C 15 29.614 28.520 1.094 1
1 110 . 12 1 1 A 15 15 CYS C C 15 176.798 174.974 1.824 1
1 112 . 12 1 1 A 16 16 ASN N N 16 130.287 125.989 4.298 1
1 113 . 12 1 1 A 16 16 ASN H H 16 9.447 9.023 0.424 1
1 114 . 12 1 1 A 16 16 ASN CA C 16 55.588 54.205 1.383 1
1 115 . 12 1 1 A 16 16 ASN HA H 16 4.548 4.742 -0.194 1
1 116 . 12 1 1 A 16 16 ASN CB C 16 38.414 39.340 -0.926 1
1 121 . 12 1 1 A 16 16 ASN C C 16 175.463 176.635 -1.172 1
1 123 . 12 1 1 A 17 17 GLU N N 17 120.826 119.251 1.575 1
1 124 . 12 1 1 A 17 17 GLU H H 17 8.704 7.732 0.972 1
1 125 . 12 1 1 A 17 17 GLU CA C 17 58.511 58.992 -0.481 1
1 126 . 12 1 1 A 17 17 GLU HA H 17 4.227 3.936 0.291 1
1 127 . 12 1 1 A 17 17 GLU CB C 17 29.478 29.217 0.261 1
1 131 . 12 1 1 A 17 17 GLU C C 17 177.096 177.909 -0.813 1
1 134 . 12 1 1 A 18 18 CYS N N 18 114.551 115.042 -0.491 1
1 135 . 12 1 1 A 18 18 CYS H H 18 7.945 8.005 -0.060 1
1 136 . 12 1 1 A 18 18 CYS CA C 18 58.357 59.590 -1.233 1
1 137 . 12 1 1 A 18 18 CYS HA H 18 5.196 4.723 0.473 1
1 138 . 12 1 1 A 18 18 CYS CB C 18 32.462 30.070 2.392 1
1 140 . 12 1 1 A 18 18 CYS C C 18 176.232 175.565 0.667 1
1 142 . 12 1 1 A 19 19 GLY N N 19 113.587 110.101 3.486 1
1 143 . 12 1 1 A 19 19 GLY H H 19 8.233 8.124 0.109 1
1 144 . 12 1 1 A 19 19 GLY CA C 19 46.310 45.111 1.199 1
1 145 . 12 1 1 A 19 19 GLY HA3 H 19 4.284 4.077 0.207 1
1 146 . 12 1 1 A 19 19 GLY C C 19 173.663 174.391 -0.728 1
1 147 . 12 1 1 A 19 19 GLY HA2 H 19 3.758 4.064 -0.306 1
1 148 . 12 1 1 A 20 20 LYS N N 20 122.684 120.110 2.574 1
1 149 . 12 1 1 A 20 20 LYS H H 20 7.972 7.382 0.590 1
1 150 . 12 1 1 A 20 20 LYS CA C 20 58.156 56.137 2.019 1
1 151 . 12 1 1 A 20 20 LYS HA H 20 4.078 4.335 -0.257 1
1 152 . 12 1 1 A 20 20 LYS CB C 20 33.727 34.322 -0.595 1
1 160 . 12 1 1 A 20 20 LYS C C 20 174.656 175.469 -0.813 1
1 165 . 12 1 1 A 21 21 THR N N 21 110.579 111.056 -0.477 1
1 166 . 12 1 1 A 21 21 THR H H 21 7.609 8.325 -0.716 1
1 167 . 12 1 1 A 21 21 THR CA C 21 59.691 59.733 -0.042 1
1 168 . 12 1 1 A 21 21 THR HA H 21 5.205 5.290 -0.085 1
1 169 . 12 1 1 A 21 21 THR CB C 21 71.137 71.529 -0.392 1
1 175 . 12 1 1 A 21 21 THR C C 21 173.496 173.295 0.201 1
1 176 . 12 1 1 A 22 22 PHE N N 22 116.127 119.559 -3.432 1
1 177 . 12 1 1 A 22 22 PHE H H 22 8.683 9.304 -0.621 1
1 178 . 12 1 1 A 22 22 PHE CA C 22 56.997 57.191 -0.194 1
1 179 . 12 1 1 A 22 22 PHE HA H 22 4.759 5.197 -0.438 1
1 180 . 12 1 1 A 22 22 PHE CB C 22 44.522 42.854 1.668 1
1 192 . 12 1 1 A 22 22 PHE C C 22 175.274 176.402 -1.128 1
1 194 . 12 1 1 A 23 23 SER N N 23 115.350 117.903 -2.553 1
1 195 . 12 1 1 A 23 23 SER H H 23 9.509 8.879 0.630 1
1 196 . 12 1 1 A 23 23 SER CA C 23 60.097 61.750 -1.653 1
1 197 . 12 1 1 A 23 23 SER HA H 23 4.455 4.106 0.349 1
1 198 . 12 1 1 A 23 23 SER CB C 23 64.104 62.871 1.233 1
1 201 . 12 1 1 A 24 24 HIS N N 24 117.610 119.355 -1.745 1
1 202 . 12 1 1 A 24 24 HIS H H 24 7.093 8.539 -1.446 1
1 203 . 12 1 1 A 24 24 HIS CA C 24 55.771 55.477 0.294 1
1 204 . 12 1 1 A 24 24 HIS HA H 24 4.570 5.196 -0.626 1
1 205 . 12 1 1 A 24 24 HIS CB C 24 33.304 31.873 1.431 1
1 212 . 12 1 1 A 25 25 SER H H 25 7.251 8.591 -1.340 1
1 213 . 12 1 1 A 25 25 SER CA C 25 61.178 60.512 0.666 1
1 214 . 12 1 1 A 25 25 SER HA H 25 2.986 2.878 0.108 1
1 215 . 12 1 1 A 25 25 SER CB C 25 61.917 61.686 0.231 1
1 218 . 12 1 1 A 26 26 ALA CA C 26 54.851 55.150 -0.299 1
1 219 . 12 1 1 A 26 26 ALA HA H 26 4.129 3.883 0.246 1
1 220 . 12 1 1 A 26 26 ALA CB C 26 18.182 18.422 -0.240 1
1 224 . 12 1 1 A 26 26 ALA C C 26 180.317 179.393 0.924 1
1 225 . 12 1 1 A 27 27 HIS N N 27 116.106 115.918 0.188 1
1 226 . 12 1 1 A 27 27 HIS H H 27 6.999 7.668 -0.669 1
1 227 . 12 1 1 A 27 27 HIS CA C 27 56.588 59.386 -2.798 1
1 228 . 12 1 1 A 27 27 HIS HA H 27 4.470 4.240 0.230 1
1 229 . 12 1 1 A 27 27 HIS CB C 27 31.665 29.855 1.810 1
1 235 . 12 1 1 A 27 27 HIS C C 27 178.498 177.050 1.448 1
1 237 . 12 1 1 A 28 28 LEU N N 28 121.252 120.681 0.571 1
1 238 . 12 1 1 A 28 28 LEU H H 28 6.954 7.740 -0.786 1
1 239 . 12 1 1 A 28 28 LEU CA C 28 57.761 57.888 -0.127 1
1 240 . 12 1 1 A 28 28 LEU HA H 28 3.160 2.885 0.275 1
1 241 . 12 1 1 A 28 28 LEU CB C 28 40.366 41.731 -1.365 1
1 253 . 12 1 1 A 28 28 LEU C C 28 177.469 178.218 -0.749 1
1 255 . 12 1 1 A 29 29 SER N N 29 114.613 114.110 0.503 1
1 256 . 12 1 1 A 29 29 SER H H 29 8.258 7.883 0.375 1
1 257 . 12 1 1 A 29 29 SER CA C 29 62.389 61.561 0.828 1
1 258 . 12 1 1 A 29 29 SER HA H 29 3.861 3.999 -0.138 1
1 259 . 12 1 1 A 29 29 SER CB C 29 62.209 62.907 -0.698 1
1 261 . 12 1 1 A 29 29 SER C C 29 176.889 177.194 -0.305 1
1 263 . 12 1 1 A 30 30 LYS N N 30 120.296 121.225 -0.929 1
1 264 . 12 1 1 A 30 30 LYS H H 30 7.420 7.480 -0.060 1
1 265 . 12 1 1 A 30 30 LYS CA C 30 58.898 58.873 0.025 1
1 266 . 12 1 1 A 30 30 LYS HA H 30 4.064 3.966 0.098 1
1 267 . 12 1 1 A 30 30 LYS CB C 30 32.454 32.012 0.442 1
1 275 . 12 1 1 A 30 30 LYS C C 30 178.850 178.676 0.174 1
1 280 . 12 1 1 A 31 31 HIS N N 31 119.097 119.776 -0.679 1
1 281 . 12 1 1 A 31 31 HIS H H 31 7.585 8.294 -0.709 1
1 282 . 12 1 1 A 31 31 HIS CA C 31 59.221 58.857 0.364 1
1 283 . 12 1 1 A 31 31 HIS HA H 31 4.186 4.129 0.057 1
1 284 . 12 1 1 A 31 31 HIS CB C 31 28.480 29.948 -1.468 1
1 290 . 12 1 1 A 31 31 HIS C C 31 176.309 176.945 -0.636 1
1 292 . 12 1 1 A 32 32 GLN N N 32 115.041 118.041 -3.000 1
1 293 . 12 1 1 A 32 32 GLN H H 32 8.315 7.839 0.476 1
1 294 . 12 1 1 A 32 32 GLN CA C 32 59.416 58.635 0.781 1
1 295 . 12 1 1 A 32 32 GLN HA H 32 3.715 4.136 -0.421 1
1 296 . 12 1 1 A 32 32 GLN CB C 32 28.247 28.459 -0.212 1
1 303 . 12 1 1 A 32 32 GLN C C 32 177.758 178.933 -1.175 1
1 306 . 12 1 1 A 33 33 LEU N N 33 118.894 120.327 -1.433 1
1 307 . 12 1 1 A 33 33 LEU H H 33 7.181 7.723 -0.542 1
1 308 . 12 1 1 A 33 33 LEU CA C 33 57.476 57.674 -0.198 1
1 309 . 12 1 1 A 33 33 LEU HA H 33 4.056 4.041 0.015 1
1 310 . 12 1 1 A 33 33 LEU CB C 33 41.570 41.299 0.271 1
1 322 . 12 1 1 A 33 33 LEU C C 33 179.710 178.967 0.743 1
1 324 . 12 1 1 A 34 34 ILE N N 34 116.556 114.971 1.585 1
1 325 . 12 1 1 A 34 34 ILE H H 34 7.824 7.483 0.341 1
1 326 . 12 1 1 A 34 34 ILE CA C 34 63.328 63.979 -0.651 1
1 327 . 12 1 1 A 34 34 ILE HA H 34 3.939 3.801 0.138 1
1 328 . 12 1 1 A 34 34 ILE CB C 34 37.595 36.908 0.687 1
1 340 . 12 1 1 A 34 34 ILE C C 34 177.765 177.738 0.027 1
1 342 . 12 1 1 A 35 35 HIS N N 35 117.319 120.886 -3.567 1
1 343 . 12 1 1 A 35 35 HIS H H 35 7.053 7.809 -0.756 1
1 344 . 12 1 1 A 35 35 HIS CA C 35 55.162 59.593 -4.431 1
1 345 . 12 1 1 A 35 35 HIS HA H 35 4.793 4.243 0.550 1
1 346 . 12 1 1 A 35 35 HIS CB C 35 28.486 30.014 -1.528 1
1 352 . 12 1 1 A 35 35 HIS C C 35 175.328 177.166 -1.838 1
1 354 . 12 1 1 A 36 36 ALA N N 36 122.453 119.314 3.139 1
1 355 . 12 1 1 A 36 36 ALA H H 36 7.546 7.275 0.271 1
1 356 . 12 1 1 A 36 36 ALA CA C 36 53.295 53.641 -0.346 1
1 357 . 12 1 1 A 36 36 ALA HA H 36 4.340 4.048 0.292 1
1 358 . 12 1 1 A 36 36 ALA CB C 36 19.226 19.478 -0.252 1
1 362 . 12 1 1 A 36 36 ALA C C 36 178.109 178.551 -0.442 1
1 363 . 12 1 1 A 37 37 GLY N N 37 107.129 104.605 2.524 1
1 364 . 12 1 1 A 37 37 GLY H H 37 8.129 7.658 0.471 1
1 365 . 12 1 1 A 37 37 GLY CA C 37 45.268 44.789 0.479 1
1 366 . 12 1 1 A 37 37 GLY HA3 H 37 3.998 3.997 0.001 1
1 367 . 12 1 1 A 37 37 GLY C C 37 174.043 174.812 -0.769 1
1 368 . 12 1 1 A 37 37 GLY HA2 H 37 3.954 3.987 -0.033 1
1 369 . 12 1 1 A 38 38 GLU N N 38 119.932 120.123 -0.191 1
1 370 . 12 1 1 A 38 38 GLU H H 38 8.057 8.834 -0.777 1
1 371 . 12 1 1 A 38 38 GLU CA C 38 56.397 57.660 -1.263 1
1 372 . 12 1 1 A 38 38 GLU HA H 38 4.284 4.503 -0.219 1
1 373 . 12 1 1 A 38 38 GLU CB C 38 30.566 31.343 -0.777 1
1 377 . 12 1 1 A 38 38 GLU C C 38 176.062 176.842 -0.780 1
1 380 . 12 1 1 A 39 39 ASN N N 39 120.263 117.804 2.459 1
1 381 . 12 1 1 A 39 39 ASN H H 39 8.524 7.920 0.604 1
1 382 . 12 1 1 A 39 39 ASN CA C 39 51.432 50.315 1.117 1
1 383 . 12 1 1 A 39 39 ASN HA H 39 4.986 5.103 -0.117 1
1 384 . 12 1 1 A 39 39 ASN CB C 39 39.023 38.891 0.132 1
1 389 . 12 1 1 A 39 39 ASN C C 39 173.352 172.826 0.526 1
1 391 . 12 1 1 A 40 40 PRO CA C 40 63.132 62.608 0.524 1
1 392 . 12 1 1 A 40 40 PRO HA H 40 4.437 4.661 -0.224 1
1 393 . 12 1 1 A 40 40 PRO CB C 40 32.192 32.921 -0.729 1
1 402 . 12 1 1 A 41 41 SER N N 41 116.490 117.048 -0.558 1
1 403 . 12 1 1 A 41 41 SER H H 41 8.541 8.524 0.017 1
1 404 . 12 1 1 A 41 41 SER CA C 41 58.569 57.483 1.086 1
1 405 . 12 1 1 A 41 41 SER CB C 41 64.089 64.536 -0.447 1
1 406 . 12 1 1 A 42 42 GLY HA2 H 42 4.122 4.282 -0.160 1
1 407 . 12 1 1 A 43 43 PRO CA C 43 63.258 62.384 0.874 1
1 408 . 12 1 1 A 43 43 PRO HA H 43 4.490 4.604 -0.114 1
1 409 . 12 1 1 A 43 43 PRO CB C 43 32.196 33.069 -0.873 1
1 418 . 12 1 1 A 44 44 SER N N 44 115.698 115.769 -0.071 1
1 419 . 12 1 1 A 44 44 SER H H 44 8.413 8.326 0.087 1
1 420 . 12 1 1 A 44 44 SER CA C 44 58.408 57.218 1.190 1
1 421 . 12 1 1 A 44 44 SER HA H 44 4.489 4.621 -0.132 1
1 422 . 12 1 1 A 44 44 SER CB C 44 63.941 64.862 -0.921 1
1 424 . 12 1 1 A 45 45 SER CA C 45 58.456 58.452 0.004 1
1 425 . 12 1 1 A 45 45 SER HA H 45 4.490 4.723 -0.233 1
1 426 . 12 1 1 A 45 45 SER CB C 45 64.115 64.691 -0.576 1
1 428 . 12 1 1 A 45 45 SER C C 45 173.910 175.364 -1.454 1
1 3 . 13 1 1 A 7 7 GLY CA C 7 45.395 45.767 -0.372 1
1 4 . 13 1 1 A 7 7 GLY HA3 H 7 4.028 4.066 -0.038 1
1 5 . 13 1 1 A 7 7 GLY C C 7 174.345 172.252 2.093 1
1 6 . 13 1 1 A 7 7 GLY HA2 H 7 4.028 4.059 -0.031 1
1 7 . 13 1 1 A 8 8 THR N N 8 114.076 116.682 -2.606 1
1 8 . 13 1 1 A 8 8 THR H H 8 8.041 8.807 -0.766 1
1 9 . 13 1 1 A 8 8 THR CA C 8 61.746 60.130 1.616 1
1 10 . 13 1 1 A 8 8 THR HA H 8 4.321 5.063 -0.742 1
1 11 . 13 1 1 A 8 8 THR CB C 8 69.981 70.673 -0.692 1
1 17 . 13 1 1 A 8 8 THR C C 8 174.522 172.971 1.551 1
1 18 . 13 1 1 A 9 9 LYS N N 9 123.558 124.761 -1.203 1
1 19 . 13 1 1 A 9 9 LYS H H 9 8.347 8.631 -0.284 1
1 20 . 13 1 1 A 9 9 LYS CA C 9 56.456 54.959 1.497 1
1 21 . 13 1 1 A 9 9 LYS HA H 9 4.243 4.319 -0.076 1
1 22 . 13 1 1 A 9 9 LYS CB C 9 32.910 31.705 1.205 1
1 29 . 13 1 1 A 9 9 LYS C C 9 176.303 176.057 0.246 1
1 34 . 13 1 1 A 10 10 GLU N N 10 121.405 126.347 -4.942 1
1 35 . 13 1 1 A 10 10 GLU H H 10 8.292 7.992 0.300 1
1 36 . 13 1 1 A 10 10 GLU CA C 10 56.554 58.358 -1.804 1
1 37 . 13 1 1 A 10 10 GLU HA H 10 4.132 4.371 -0.239 1
1 38 . 13 1 1 A 10 10 GLU CB C 10 30.305 30.772 -0.467 1
1 42 . 13 1 1 A 10 10 GLU C C 10 176.024 177.130 -1.106 1
1 45 . 13 1 1 A 11 11 HIS N N 11 121.270 116.407 4.863 1
1 46 . 13 1 1 A 11 11 HIS H H 11 8.258 7.932 0.326 1
1 47 . 13 1 1 A 11 11 HIS CA C 11 53.734 54.162 -0.428 1
1 48 . 13 1 1 A 11 11 HIS HA H 11 4.831 4.806 0.025 1
1 49 . 13 1 1 A 11 11 HIS CB C 11 31.178 30.735 0.443 1
1 55 . 13 1 1 A 11 11 HIS C C 11 174.107 175.175 -1.068 1
1 57 . 13 1 1 A 12 12 PRO CA C 12 63.651 64.084 -0.433 1
1 58 . 13 1 1 A 12 12 PRO HA H 12 4.301 4.206 0.095 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.098 31.224 0.874 1
1 65 . 13 1 1 A 12 12 PRO C C 12 176.381 175.936 0.445 1
1 69 . 13 1 1 A 13 13 PHE N N 13 116.995 118.307 -1.312 1
1 70 . 13 1 1 A 13 13 PHE H H 13 7.836 7.602 0.234 1
1 71 . 13 1 1 A 13 13 PHE CA C 13 57.114 56.641 0.473 1
1 72 . 13 1 1 A 13 13 PHE HA H 13 4.804 5.273 -0.469 1
1 73 . 13 1 1 A 13 13 PHE CB C 13 39.642 41.534 -1.892 1
1 85 . 13 1 1 A 13 13 PHE C C 13 174.042 174.355 -0.313 1
1 87 . 13 1 1 A 14 14 LYS N N 14 124.716 123.686 1.030 1
1 88 . 13 1 1 A 14 14 LYS H H 14 8.671 9.034 -0.363 1
1 89 . 13 1 1 A 14 14 LYS CA C 14 55.018 54.819 0.199 1
1 90 . 13 1 1 A 14 14 LYS HA H 14 4.973 5.416 -0.443 1
1 91 . 13 1 1 A 14 14 LYS CB C 14 36.127 36.136 -0.009 1
1 99 . 13 1 1 A 14 14 LYS C C 14 174.476 175.517 -1.041 1
1 104 . 13 1 1 A 15 15 CYS N N 15 127.379 125.308 2.071 1
1 105 . 13 1 1 A 15 15 CYS H H 15 9.267 9.299 -0.032 1
1 106 . 13 1 1 A 15 15 CYS CA C 15 59.230 60.320 -1.090 1
1 107 . 13 1 1 A 15 15 CYS HA H 15 4.592 4.526 0.066 1
1 108 . 13 1 1 A 15 15 CYS CB C 15 29.614 28.630 0.984 1
1 110 . 13 1 1 A 15 15 CYS C C 15 176.798 174.974 1.824 1
1 112 . 13 1 1 A 16 16 ASN N N 16 130.287 125.965 4.322 1
1 113 . 13 1 1 A 16 16 ASN H H 16 9.447 9.000 0.447 1
1 114 . 13 1 1 A 16 16 ASN CA C 16 55.588 54.252 1.336 1
1 115 . 13 1 1 A 16 16 ASN HA H 16 4.548 4.756 -0.208 1
1 116 . 13 1 1 A 16 16 ASN CB C 16 38.414 39.264 -0.850 1
1 121 . 13 1 1 A 16 16 ASN C C 16 175.463 176.646 -1.183 1
1 123 . 13 1 1 A 17 17 GLU N N 17 120.826 119.380 1.446 1
1 124 . 13 1 1 A 17 17 GLU H H 17 8.704 7.760 0.944 1
1 125 . 13 1 1 A 17 17 GLU CA C 17 58.511 59.293 -0.782 1
1 126 . 13 1 1 A 17 17 GLU HA H 17 4.227 3.957 0.270 1
1 127 . 13 1 1 A 17 17 GLU CB C 17 29.478 29.441 0.037 1
1 131 . 13 1 1 A 17 17 GLU C C 17 177.096 177.782 -0.686 1
1 134 . 13 1 1 A 18 18 CYS N N 18 114.551 114.799 -0.248 1
1 135 . 13 1 1 A 18 18 CYS H H 18 7.945 7.859 0.086 1
1 136 . 13 1 1 A 18 18 CYS CA C 18 58.357 59.546 -1.189 1
1 137 . 13 1 1 A 18 18 CYS HA H 18 5.196 4.728 0.468 1
1 138 . 13 1 1 A 18 18 CYS CB C 18 32.462 30.482 1.980 1
1 140 . 13 1 1 A 18 18 CYS C C 18 176.232 175.812 0.420 1
1 142 . 13 1 1 A 19 19 GLY N N 19 113.587 110.122 3.465 1
1 143 . 13 1 1 A 19 19 GLY H H 19 8.233 8.186 0.047 1
1 144 . 13 1 1 A 19 19 GLY CA C 19 46.310 45.041 1.269 1
1 145 . 13 1 1 A 19 19 GLY HA3 H 19 4.284 4.087 0.197 1
1 146 . 13 1 1 A 19 19 GLY C C 19 173.663 174.547 -0.884 1
1 147 . 13 1 1 A 19 19 GLY HA2 H 19 3.758 4.072 -0.314 1
1 148 . 13 1 1 A 20 20 LYS N N 20 122.684 120.107 2.577 1
1 149 . 13 1 1 A 20 20 LYS H H 20 7.972 7.383 0.589 1
1 150 . 13 1 1 A 20 20 LYS CA C 20 58.156 56.402 1.754 1
1 151 . 13 1 1 A 20 20 LYS HA H 20 4.078 4.310 -0.232 1
1 152 . 13 1 1 A 20 20 LYS CB C 20 33.727 34.193 -0.466 1
1 160 . 13 1 1 A 20 20 LYS C C 20 174.656 175.481 -0.825 1
1 165 . 13 1 1 A 21 21 THR N N 21 110.579 111.200 -0.621 1
1 166 . 13 1 1 A 21 21 THR H H 21 7.609 8.438 -0.829 1
1 167 . 13 1 1 A 21 21 THR CA C 21 59.691 60.030 -0.339 1
1 168 . 13 1 1 A 21 21 THR HA H 21 5.205 5.491 -0.286 1
1 169 . 13 1 1 A 21 21 THR CB C 21 71.137 71.363 -0.226 1
1 175 . 13 1 1 A 21 21 THR C C 21 173.496 173.368 0.128 1
1 176 . 13 1 1 A 22 22 PHE N N 22 116.127 119.898 -3.771 1
1 177 . 13 1 1 A 22 22 PHE H H 22 8.683 9.458 -0.775 1
1 178 . 13 1 1 A 22 22 PHE CA C 22 56.997 56.804 0.193 1
1 179 . 13 1 1 A 22 22 PHE HA H 22 4.759 5.104 -0.345 1
1 180 . 13 1 1 A 22 22 PHE CB C 22 44.522 42.144 2.378 1
1 192 . 13 1 1 A 22 22 PHE C C 22 175.274 176.212 -0.938 1
1 194 . 13 1 1 A 23 23 SER N N 23 115.350 117.551 -2.201 1
1 195 . 13 1 1 A 23 23 SER H H 23 9.509 8.725 0.784 1
1 196 . 13 1 1 A 23 23 SER CA C 23 60.097 62.579 -2.482 1
1 197 . 13 1 1 A 23 23 SER HA H 23 4.455 4.215 0.240 1
1 198 . 13 1 1 A 23 23 SER CB C 23 64.104 62.876 1.228 1
1 201 . 13 1 1 A 24 24 HIS N N 24 117.610 117.474 0.136 1
1 202 . 13 1 1 A 24 24 HIS H H 24 7.093 8.497 -1.404 1
1 203 . 13 1 1 A 24 24 HIS CA C 24 55.771 55.809 -0.038 1
1 204 . 13 1 1 A 24 24 HIS HA H 24 4.570 5.261 -0.691 1
1 205 . 13 1 1 A 24 24 HIS CB C 24 33.304 32.160 1.144 1
1 212 . 13 1 1 A 25 25 SER H H 25 7.251 8.670 -1.419 1
1 213 . 13 1 1 A 25 25 SER CA C 25 61.178 60.550 0.628 1
1 214 . 13 1 1 A 25 25 SER HA H 25 2.986 2.832 0.154 1
1 215 . 13 1 1 A 25 25 SER CB C 25 61.917 61.737 0.180 1
1 218 . 13 1 1 A 26 26 ALA CA C 26 54.851 55.160 -0.309 1
1 219 . 13 1 1 A 26 26 ALA HA H 26 4.129 3.874 0.255 1
1 220 . 13 1 1 A 26 26 ALA CB C 26 18.182 18.396 -0.214 1
1 224 . 13 1 1 A 26 26 ALA C C 26 180.317 179.292 1.025 1
1 225 . 13 1 1 A 27 27 HIS N N 27 116.106 115.836 0.270 1
1 226 . 13 1 1 A 27 27 HIS H H 27 6.999 7.635 -0.636 1
1 227 . 13 1 1 A 27 27 HIS CA C 27 56.588 59.385 -2.797 1
1 228 . 13 1 1 A 27 27 HIS HA H 27 4.470 4.260 0.210 1
1 229 . 13 1 1 A 27 27 HIS CB C 27 31.665 29.875 1.790 1
1 235 . 13 1 1 A 27 27 HIS C C 27 178.498 177.161 1.337 1
1 237 . 13 1 1 A 28 28 LEU N N 28 121.252 120.685 0.567 1
1 238 . 13 1 1 A 28 28 LEU H H 28 6.954 7.783 -0.829 1
1 239 . 13 1 1 A 28 28 LEU CA C 28 57.761 57.851 -0.090 1
1 240 . 13 1 1 A 28 28 LEU HA H 28 3.160 2.931 0.229 1
1 241 . 13 1 1 A 28 28 LEU CB C 28 40.366 41.646 -1.280 1
1 253 . 13 1 1 A 28 28 LEU C C 28 177.469 178.108 -0.639 1
1 255 . 13 1 1 A 29 29 SER N N 29 114.613 114.221 0.392 1
1 256 . 13 1 1 A 29 29 SER H H 29 8.258 7.876 0.382 1
1 257 . 13 1 1 A 29 29 SER CA C 29 62.389 61.470 0.919 1
1 258 . 13 1 1 A 29 29 SER HA H 29 3.861 3.979 -0.118 1
1 259 . 13 1 1 A 29 29 SER CB C 29 62.209 62.903 -0.694 1
1 261 . 13 1 1 A 29 29 SER C C 29 176.889 177.093 -0.204 1
1 263 . 13 1 1 A 30 30 LYS N N 30 120.296 121.024 -0.728 1
1 264 . 13 1 1 A 30 30 LYS H H 30 7.420 7.294 0.126 1
1 265 . 13 1 1 A 30 30 LYS CA C 30 58.898 58.765 0.133 1
1 266 . 13 1 1 A 30 30 LYS HA H 30 4.064 3.982 0.082 1
1 267 . 13 1 1 A 30 30 LYS CB C 30 32.454 32.080 0.374 1
1 275 . 13 1 1 A 30 30 LYS C C 30 178.850 178.674 0.176 1
1 280 . 13 1 1 A 31 31 HIS N N 31 119.097 119.738 -0.641 1
1 281 . 13 1 1 A 31 31 HIS H H 31 7.585 8.278 -0.693 1
1 282 . 13 1 1 A 31 31 HIS CA C 31 59.221 58.613 0.608 1
1 283 . 13 1 1 A 31 31 HIS HA H 31 4.186 4.138 0.048 1
1 284 . 13 1 1 A 31 31 HIS CB C 31 28.480 30.287 -1.807 1
1 290 . 13 1 1 A 31 31 HIS C C 31 176.309 176.960 -0.651 1
1 292 . 13 1 1 A 32 32 GLN N N 32 115.041 117.928 -2.887 1
1 293 . 13 1 1 A 32 32 GLN H H 32 8.315 7.843 0.472 1
1 294 . 13 1 1 A 32 32 GLN CA C 32 59.416 58.594 0.822 1
1 295 . 13 1 1 A 32 32 GLN HA H 32 3.715 4.118 -0.403 1
1 296 . 13 1 1 A 32 32 GLN CB C 32 28.247 28.371 -0.124 1
1 303 . 13 1 1 A 32 32 GLN C C 32 177.758 178.986 -1.228 1
1 306 . 13 1 1 A 33 33 LEU N N 33 118.894 120.229 -1.335 1
1 307 . 13 1 1 A 33 33 LEU H H 33 7.181 7.961 -0.780 1
1 308 . 13 1 1 A 33 33 LEU CA C 33 57.476 57.562 -0.086 1
1 309 . 13 1 1 A 33 33 LEU HA H 33 4.056 4.043 0.013 1
1 310 . 13 1 1 A 33 33 LEU CB C 33 41.570 41.286 0.284 1
1 322 . 13 1 1 A 33 33 LEU C C 33 179.710 179.016 0.694 1
1 324 . 13 1 1 A 34 34 ILE N N 34 116.556 115.059 1.497 1
1 325 . 13 1 1 A 34 34 ILE H H 34 7.824 7.497 0.327 1
1 326 . 13 1 1 A 34 34 ILE CA C 34 63.328 64.153 -0.825 1
1 327 . 13 1 1 A 34 34 ILE HA H 34 3.939 3.788 0.151 1
1 328 . 13 1 1 A 34 34 ILE CB C 34 37.595 37.046 0.549 1
1 340 . 13 1 1 A 34 34 ILE C C 34 177.765 177.983 -0.218 1
1 342 . 13 1 1 A 35 35 HIS N N 35 117.319 119.886 -2.567 1
1 343 . 13 1 1 A 35 35 HIS H H 35 7.053 7.737 -0.684 1
1 344 . 13 1 1 A 35 35 HIS CA C 35 55.162 59.582 -4.420 1
1 345 . 13 1 1 A 35 35 HIS HA H 35 4.793 4.241 0.552 1
1 346 . 13 1 1 A 35 35 HIS CB C 35 28.486 30.588 -2.102 1
1 352 . 13 1 1 A 35 35 HIS C C 35 175.328 176.390 -1.062 1
1 354 . 13 1 1 A 36 36 ALA N N 36 122.453 118.380 4.073 1
1 355 . 13 1 1 A 36 36 ALA H H 36 7.546 7.145 0.401 1
1 356 . 13 1 1 A 36 36 ALA CA C 36 53.295 51.245 2.050 1
1 357 . 13 1 1 A 36 36 ALA HA H 36 4.340 4.288 0.052 1
1 358 . 13 1 1 A 36 36 ALA CB C 36 19.226 17.622 1.604 1
1 362 . 13 1 1 A 36 36 ALA C C 36 178.109 176.231 1.878 1
1 363 . 13 1 1 A 37 37 GLY N N 37 107.129 108.208 -1.079 1
1 364 . 13 1 1 A 37 37 GLY H H 37 8.129 8.399 -0.270 1
1 365 . 13 1 1 A 37 37 GLY CA C 37 45.268 44.929 0.339 1
1 366 . 13 1 1 A 37 37 GLY HA3 H 37 3.998 4.120 -0.122 1
1 367 . 13 1 1 A 37 37 GLY C C 37 174.043 172.613 1.430 1
1 368 . 13 1 1 A 37 37 GLY HA2 H 37 3.954 4.120 -0.166 1
1 369 . 13 1 1 A 38 38 GLU N N 38 119.932 121.708 -1.776 1
1 370 . 13 1 1 A 38 38 GLU H H 38 8.057 8.970 -0.913 1
1 371 . 13 1 1 A 38 38 GLU CA C 38 56.397 55.035 1.362 1
1 372 . 13 1 1 A 38 38 GLU HA H 38 4.284 5.121 -0.837 1
1 373 . 13 1 1 A 38 38 GLU CB C 38 30.566 33.838 -3.272 1
1 377 . 13 1 1 A 38 38 GLU C C 38 176.062 174.083 1.979 1
1 380 . 13 1 1 A 39 39 ASN N N 39 120.263 118.728 1.535 1
1 381 . 13 1 1 A 39 39 ASN H H 39 8.524 8.736 -0.212 1
1 382 . 13 1 1 A 39 39 ASN CA C 39 51.432 50.144 1.288 1
1 383 . 13 1 1 A 39 39 ASN HA H 39 4.986 5.354 -0.368 1
1 384 . 13 1 1 A 39 39 ASN CB C 39 39.023 41.402 -2.379 1
1 389 . 13 1 1 A 39 39 ASN C C 39 173.352 172.631 0.721 1
1 391 . 13 1 1 A 40 40 PRO CA C 40 63.132 62.634 0.498 1
1 392 . 13 1 1 A 40 40 PRO HA H 40 4.437 4.737 -0.300 1
1 393 . 13 1 1 A 40 40 PRO CB C 40 32.192 30.775 1.417 1
1 402 . 13 1 1 A 41 41 SER N N 41 116.490 113.492 2.998 1
1 403 . 13 1 1 A 41 41 SER H H 41 8.541 8.742 -0.201 1
1 404 . 13 1 1 A 41 41 SER CA C 41 58.569 57.146 1.423 1
1 405 . 13 1 1 A 41 41 SER CB C 41 64.089 66.007 -1.918 1
1 406 . 13 1 1 A 42 42 GLY HA2 H 42 4.122 4.139 -0.017 1
1 407 . 13 1 1 A 43 43 PRO CA C 43 63.258 63.589 -0.331 1
1 408 . 13 1 1 A 43 43 PRO HA H 43 4.490 4.558 -0.068 1
1 409 . 13 1 1 A 43 43 PRO CB C 43 32.196 32.115 0.081 1
1 418 . 13 1 1 A 44 44 SER N N 44 115.698 116.203 -0.505 1
1 419 . 13 1 1 A 44 44 SER H H 44 8.413 7.679 0.734 1
1 420 . 13 1 1 A 44 44 SER CA C 44 58.408 59.671 -1.263 1
1 421 . 13 1 1 A 44 44 SER HA H 44 4.489 4.450 0.039 1
1 422 . 13 1 1 A 44 44 SER CB C 44 63.941 64.031 -0.090 1
1 424 . 13 1 1 A 45 45 SER CA C 45 58.456 57.037 1.419 1
1 425 . 13 1 1 A 45 45 SER HA H 45 4.490 4.926 -0.436 1
1 426 . 13 1 1 A 45 45 SER CB C 45 64.115 65.788 -1.673 1
1 428 . 13 1 1 A 45 45 SER C C 45 173.910 172.967 0.943 1
1 3 . 14 1 1 A 7 7 GLY CA C 7 45.395 45.617 -0.222 1
1 4 . 14 1 1 A 7 7 GLY HA3 H 7 4.028 4.145 -0.117 1
1 5 . 14 1 1 A 7 7 GLY C C 7 174.345 173.772 0.573 1
1 6 . 14 1 1 A 7 7 GLY HA2 H 7 4.028 4.142 -0.114 1
1 7 . 14 1 1 A 8 8 THR N N 8 114.076 110.995 3.081 1
1 8 . 14 1 1 A 8 8 THR H H 8 8.041 7.852 0.189 1
1 9 . 14 1 1 A 8 8 THR CA C 8 61.746 59.773 1.973 1
1 10 . 14 1 1 A 8 8 THR HA H 8 4.321 4.786 -0.465 1
1 11 . 14 1 1 A 8 8 THR CB C 8 69.981 71.205 -1.224 1
1 17 . 14 1 1 A 8 8 THR C C 8 174.522 173.009 1.513 1
1 18 . 14 1 1 A 9 9 LYS N N 9 123.558 124.344 -0.786 1
1 19 . 14 1 1 A 9 9 LYS H H 9 8.347 8.746 -0.399 1
1 20 . 14 1 1 A 9 9 LYS CA C 9 56.456 54.924 1.532 1
1 21 . 14 1 1 A 9 9 LYS HA H 9 4.243 4.583 -0.340 1
1 22 . 14 1 1 A 9 9 LYS CB C 9 32.910 33.433 -0.523 1
1 29 . 14 1 1 A 9 9 LYS C C 9 176.303 175.357 0.946 1
1 34 . 14 1 1 A 10 10 GLU N N 10 121.405 126.891 -5.486 1
1 35 . 14 1 1 A 10 10 GLU H H 10 8.292 8.625 -0.333 1
1 36 . 14 1 1 A 10 10 GLU CA C 10 56.554 57.928 -1.374 1
1 37 . 14 1 1 A 10 10 GLU HA H 10 4.132 4.612 -0.480 1
1 38 . 14 1 1 A 10 10 GLU CB C 10 30.305 31.476 -1.171 1
1 42 . 14 1 1 A 10 10 GLU C C 10 176.024 176.746 -0.722 1
1 45 . 14 1 1 A 11 11 HIS N N 11 121.270 116.076 5.194 1
1 46 . 14 1 1 A 11 11 HIS H H 11 8.258 8.155 0.103 1
1 47 . 14 1 1 A 11 11 HIS CA C 11 53.734 54.122 -0.388 1
1 48 . 14 1 1 A 11 11 HIS HA H 11 4.831 4.819 0.012 1
1 49 . 14 1 1 A 11 11 HIS CB C 11 31.178 30.910 0.268 1
1 55 . 14 1 1 A 11 11 HIS C C 11 174.107 174.913 -0.806 1
1 57 . 14 1 1 A 12 12 PRO CA C 12 63.651 64.060 -0.409 1
1 58 . 14 1 1 A 12 12 PRO HA H 12 4.301 4.205 0.096 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.098 31.245 0.853 1
1 65 . 14 1 1 A 12 12 PRO C C 12 176.381 175.900 0.481 1
1 69 . 14 1 1 A 13 13 PHE N N 13 116.995 118.495 -1.500 1
1 70 . 14 1 1 A 13 13 PHE H H 13 7.836 7.585 0.251 1
1 71 . 14 1 1 A 13 13 PHE CA C 13 57.114 56.705 0.409 1
1 72 . 14 1 1 A 13 13 PHE HA H 13 4.804 5.302 -0.498 1
1 73 . 14 1 1 A 13 13 PHE CB C 13 39.642 41.735 -2.093 1
1 85 . 14 1 1 A 13 13 PHE C C 13 174.042 174.181 -0.139 1
1 87 . 14 1 1 A 14 14 LYS N N 14 124.716 123.290 1.426 1
1 88 . 14 1 1 A 14 14 LYS H H 14 8.671 9.029 -0.358 1
1 89 . 14 1 1 A 14 14 LYS CA C 14 55.018 54.790 0.228 1
1 90 . 14 1 1 A 14 14 LYS HA H 14 4.973 5.456 -0.483 1
1 91 . 14 1 1 A 14 14 LYS CB C 14 36.127 36.465 -0.338 1
1 99 . 14 1 1 A 14 14 LYS C C 14 174.476 175.616 -1.140 1
1 104 . 14 1 1 A 15 15 CYS N N 15 127.379 125.085 2.294 1
1 105 . 14 1 1 A 15 15 CYS H H 15 9.267 8.988 0.279 1
1 106 . 14 1 1 A 15 15 CYS CA C 15 59.230 60.146 -0.916 1
1 107 . 14 1 1 A 15 15 CYS HA H 15 4.592 4.571 0.021 1
1 108 . 14 1 1 A 15 15 CYS CB C 15 29.614 28.975 0.639 1
1 110 . 14 1 1 A 15 15 CYS C C 15 176.798 176.647 0.151 1
1 112 . 14 1 1 A 16 16 ASN N N 16 130.287 127.546 2.741 1
1 113 . 14 1 1 A 16 16 ASN H H 16 9.447 9.481 -0.034 1
1 114 . 14 1 1 A 16 16 ASN CA C 16 55.588 53.039 2.549 1
1 115 . 14 1 1 A 16 16 ASN HA H 16 4.548 5.124 -0.576 1
1 116 . 14 1 1 A 16 16 ASN CB C 16 38.414 38.457 -0.043 1
1 121 . 14 1 1 A 16 16 ASN C C 16 175.463 176.332 -0.869 1
1 123 . 14 1 1 A 17 17 GLU N N 17 120.826 118.743 2.083 1
1 124 . 14 1 1 A 17 17 GLU H H 17 8.704 7.957 0.747 1
1 125 . 14 1 1 A 17 17 GLU CA C 17 58.511 57.110 1.401 1
1 126 . 14 1 1 A 17 17 GLU HA H 17 4.227 4.378 -0.151 1
1 127 . 14 1 1 A 17 17 GLU CB C 17 29.478 30.587 -1.109 1
1 131 . 14 1 1 A 17 17 GLU C C 17 177.096 177.631 -0.535 1
1 134 . 14 1 1 A 18 18 CYS N N 18 114.551 114.811 -0.260 1
1 135 . 14 1 1 A 18 18 CYS H H 18 7.945 7.970 -0.025 1
1 136 . 14 1 1 A 18 18 CYS CA C 18 58.357 59.148 -0.791 1
1 137 . 14 1 1 A 18 18 CYS HA H 18 5.196 4.727 0.469 1
1 138 . 14 1 1 A 18 18 CYS CB C 18 32.462 30.655 1.807 1
1 140 . 14 1 1 A 18 18 CYS C C 18 176.232 175.923 0.309 1
1 142 . 14 1 1 A 19 19 GLY N N 19 113.587 110.306 3.281 1
1 143 . 14 1 1 A 19 19 GLY H H 19 8.233 8.204 0.029 1
1 144 . 14 1 1 A 19 19 GLY CA C 19 46.310 45.145 1.165 1
1 145 . 14 1 1 A 19 19 GLY HA3 H 19 4.284 4.066 0.218 1
1 146 . 14 1 1 A 19 19 GLY C C 19 173.663 174.646 -0.983 1
1 147 . 14 1 1 A 19 19 GLY HA2 H 19 3.758 4.051 -0.293 1
1 148 . 14 1 1 A 20 20 LYS N N 20 122.684 120.416 2.268 1
1 149 . 14 1 1 A 20 20 LYS H H 20 7.972 7.485 0.487 1
1 150 . 14 1 1 A 20 20 LYS CA C 20 58.156 56.249 1.907 1
1 151 . 14 1 1 A 20 20 LYS HA H 20 4.078 4.317 -0.239 1
1 152 . 14 1 1 A 20 20 LYS CB C 20 33.727 34.365 -0.638 1
1 160 . 14 1 1 A 20 20 LYS C C 20 174.656 175.291 -0.635 1
1 165 . 14 1 1 A 21 21 THR N N 21 110.579 110.728 -0.149 1
1 166 . 14 1 1 A 21 21 THR H H 21 7.609 8.144 -0.535 1
1 167 . 14 1 1 A 21 21 THR CA C 21 59.691 60.248 -0.557 1
1 168 . 14 1 1 A 21 21 THR HA H 21 5.205 5.565 -0.360 1
1 169 . 14 1 1 A 21 21 THR CB C 21 71.137 71.796 -0.659 1
1 175 . 14 1 1 A 21 21 THR C C 21 173.496 172.805 0.691 1
1 176 . 14 1 1 A 22 22 PHE N N 22 116.127 119.455 -3.328 1
1 177 . 14 1 1 A 22 22 PHE H H 22 8.683 9.059 -0.376 1
1 178 . 14 1 1 A 22 22 PHE CA C 22 56.997 57.178 -0.181 1
1 179 . 14 1 1 A 22 22 PHE HA H 22 4.759 5.134 -0.375 1
1 180 . 14 1 1 A 22 22 PHE CB C 22 44.522 42.595 1.927 1
1 192 . 14 1 1 A 22 22 PHE C C 22 175.274 176.386 -1.112 1
1 194 . 14 1 1 A 23 23 SER N N 23 115.350 118.253 -2.903 1
1 195 . 14 1 1 A 23 23 SER H H 23 9.509 8.959 0.550 1
1 196 . 14 1 1 A 23 23 SER CA C 23 60.097 61.874 -1.777 1
1 197 . 14 1 1 A 23 23 SER HA H 23 4.455 4.004 0.451 1
1 198 . 14 1 1 A 23 23 SER CB C 23 64.104 62.312 1.792 1
1 201 . 14 1 1 A 24 24 HIS N N 24 117.610 118.743 -1.133 1
1 202 . 14 1 1 A 24 24 HIS H H 24 7.093 8.465 -1.372 1
1 203 . 14 1 1 A 24 24 HIS CA C 24 55.771 55.668 0.103 1
1 204 . 14 1 1 A 24 24 HIS HA H 24 4.570 5.088 -0.518 1
1 205 . 14 1 1 A 24 24 HIS CB C 24 33.304 32.205 1.099 1
1 212 . 14 1 1 A 25 25 SER H H 25 7.251 8.630 -1.379 1
1 213 . 14 1 1 A 25 25 SER CA C 25 61.178 60.735 0.443 1
1 214 . 14 1 1 A 25 25 SER HA H 25 2.986 2.919 0.067 1
1 215 . 14 1 1 A 25 25 SER CB C 25 61.917 62.061 -0.144 1
1 218 . 14 1 1 A 26 26 ALA CA C 26 54.851 55.122 -0.271 1
1 219 . 14 1 1 A 26 26 ALA HA H 26 4.129 3.883 0.246 1
1 220 . 14 1 1 A 26 26 ALA CB C 26 18.182 18.387 -0.205 1
1 224 . 14 1 1 A 26 26 ALA C C 26 180.317 179.398 0.919 1
1 225 . 14 1 1 A 27 27 HIS N N 27 116.106 115.995 0.111 1
1 226 . 14 1 1 A 27 27 HIS H H 27 6.999 7.720 -0.721 1
1 227 . 14 1 1 A 27 27 HIS CA C 27 56.588 59.449 -2.861 1
1 228 . 14 1 1 A 27 27 HIS HA H 27 4.470 4.312 0.158 1
1 229 . 14 1 1 A 27 27 HIS CB C 27 31.665 30.123 1.542 1
1 235 . 14 1 1 A 27 27 HIS C C 27 178.498 177.180 1.318 1
1 237 . 14 1 1 A 28 28 LEU N N 28 121.252 121.148 0.104 1
1 238 . 14 1 1 A 28 28 LEU H H 28 6.954 7.971 -1.017 1
1 239 . 14 1 1 A 28 28 LEU CA C 28 57.761 57.914 -0.153 1
1 240 . 14 1 1 A 28 28 LEU HA H 28 3.160 2.884 0.276 1
1 241 . 14 1 1 A 28 28 LEU CB C 28 40.366 41.675 -1.309 1
1 253 . 14 1 1 A 28 28 LEU C C 28 177.469 178.177 -0.708 1
1 255 . 14 1 1 A 29 29 SER N N 29 114.613 113.414 1.199 1
1 256 . 14 1 1 A 29 29 SER H H 29 8.258 8.196 0.062 1
1 257 . 14 1 1 A 29 29 SER CA C 29 62.389 61.476 0.913 1
1 258 . 14 1 1 A 29 29 SER HA H 29 3.861 4.067 -0.206 1
1 259 . 14 1 1 A 29 29 SER CB C 29 62.209 62.668 -0.459 1
1 261 . 14 1 1 A 29 29 SER C C 29 176.889 176.549 0.340 1
1 263 . 14 1 1 A 30 30 LYS N N 30 120.296 122.136 -1.840 1
1 264 . 14 1 1 A 30 30 LYS H H 30 7.420 7.561 -0.141 1
1 265 . 14 1 1 A 30 30 LYS CA C 30 58.898 58.916 -0.018 1
1 266 . 14 1 1 A 30 30 LYS HA H 30 4.064 3.972 0.092 1
1 267 . 14 1 1 A 30 30 LYS CB C 30 32.454 32.028 0.426 1
1 275 . 14 1 1 A 30 30 LYS C C 30 178.850 178.654 0.196 1
1 280 . 14 1 1 A 31 31 HIS N N 31 119.097 119.877 -0.780 1
1 281 . 14 1 1 A 31 31 HIS H H 31 7.585 8.243 -0.658 1
1 282 . 14 1 1 A 31 31 HIS CA C 31 59.221 58.985 0.236 1
1 283 . 14 1 1 A 31 31 HIS HA H 31 4.186 4.140 0.046 1
1 284 . 14 1 1 A 31 31 HIS CB C 31 28.480 29.943 -1.463 1
1 290 . 14 1 1 A 31 31 HIS C C 31 176.309 176.940 -0.631 1
1 292 . 14 1 1 A 32 32 GLN N N 32 115.041 117.937 -2.896 1
1 293 . 14 1 1 A 32 32 GLN H H 32 8.315 7.794 0.521 1
1 294 . 14 1 1 A 32 32 GLN CA C 32 59.416 58.616 0.800 1
1 295 . 14 1 1 A 32 32 GLN HA H 32 3.715 4.114 -0.399 1
1 296 . 14 1 1 A 32 32 GLN CB C 32 28.247 28.453 -0.206 1
1 303 . 14 1 1 A 32 32 GLN C C 32 177.758 178.988 -1.230 1
1 306 . 14 1 1 A 33 33 LEU N N 33 118.894 120.261 -1.367 1
1 307 . 14 1 1 A 33 33 LEU H H 33 7.181 7.704 -0.523 1
1 308 . 14 1 1 A 33 33 LEU CA C 33 57.476 57.781 -0.305 1
1 309 . 14 1 1 A 33 33 LEU HA H 33 4.056 4.045 0.011 1
1 310 . 14 1 1 A 33 33 LEU CB C 33 41.570 41.309 0.261 1
1 322 . 14 1 1 A 33 33 LEU C C 33 179.710 179.181 0.529 1
1 324 . 14 1 1 A 34 34 ILE N N 34 116.556 115.116 1.440 1
1 325 . 14 1 1 A 34 34 ILE H H 34 7.824 7.585 0.239 1
1 326 . 14 1 1 A 34 34 ILE CA C 34 63.328 64.020 -0.692 1
1 327 . 14 1 1 A 34 34 ILE HA H 34 3.939 3.808 0.131 1
1 328 . 14 1 1 A 34 34 ILE CB C 34 37.595 36.897 0.698 1
1 340 . 14 1 1 A 34 34 ILE C C 34 177.765 177.830 -0.065 1
1 342 . 14 1 1 A 35 35 HIS N N 35 117.319 119.594 -2.275 1
1 343 . 14 1 1 A 35 35 HIS H H 35 7.053 7.479 -0.426 1
1 344 . 14 1 1 A 35 35 HIS CA C 35 55.162 59.123 -3.961 1
1 345 . 14 1 1 A 35 35 HIS HA H 35 4.793 4.249 0.544 1
1 346 . 14 1 1 A 35 35 HIS CB C 35 28.486 30.680 -2.194 1
1 352 . 14 1 1 A 35 35 HIS C C 35 175.328 176.394 -1.066 1
1 354 . 14 1 1 A 36 36 ALA N N 36 122.453 120.592 1.861 1
1 355 . 14 1 1 A 36 36 ALA H H 36 7.546 7.268 0.278 1
1 356 . 14 1 1 A 36 36 ALA CA C 36 53.295 51.374 1.921 1
1 357 . 14 1 1 A 36 36 ALA HA H 36 4.340 4.334 0.006 1
1 358 . 14 1 1 A 36 36 ALA CB C 36 19.226 18.288 0.938 1
1 362 . 14 1 1 A 36 36 ALA C C 36 178.109 176.541 1.568 1
1 363 . 14 1 1 A 37 37 GLY N N 37 107.129 111.164 -4.035 1
1 364 . 14 1 1 A 37 37 GLY H H 37 8.129 8.371 -0.242 1
1 365 . 14 1 1 A 37 37 GLY CA C 37 45.268 46.068 -0.800 1
1 366 . 14 1 1 A 37 37 GLY HA3 H 37 3.998 3.957 0.041 1
1 367 . 14 1 1 A 37 37 GLY C C 37 174.043 172.865 1.178 1
1 368 . 14 1 1 A 37 37 GLY HA2 H 37 3.954 3.950 0.004 1
1 369 . 14 1 1 A 38 38 GLU N N 38 119.932 126.243 -6.311 1
1 370 . 14 1 1 A 38 38 GLU H H 38 8.057 8.462 -0.405 1
1 371 . 14 1 1 A 38 38 GLU CA C 38 56.397 55.846 0.551 1
1 372 . 14 1 1 A 38 38 GLU HA H 38 4.284 4.680 -0.396 1
1 373 . 14 1 1 A 38 38 GLU CB C 38 30.566 30.348 0.218 1
1 377 . 14 1 1 A 38 38 GLU C C 38 176.062 175.827 0.235 1
1 380 . 14 1 1 A 39 39 ASN N N 39 120.263 123.238 -2.975 1
1 381 . 14 1 1 A 39 39 ASN H H 39 8.524 8.495 0.029 1
1 382 . 14 1 1 A 39 39 ASN CA C 39 51.432 49.848 1.584 1
1 383 . 14 1 1 A 39 39 ASN HA H 39 4.986 5.198 -0.212 1
1 384 . 14 1 1 A 39 39 ASN CB C 39 39.023 40.782 -1.759 1
1 389 . 14 1 1 A 39 39 ASN C C 39 173.352 175.334 -1.982 1
1 391 . 14 1 1 A 40 40 PRO CA C 40 63.132 64.074 -0.942 1
1 392 . 14 1 1 A 40 40 PRO HA H 40 4.437 4.528 -0.091 1
1 393 . 14 1 1 A 40 40 PRO CB C 40 32.192 31.644 0.548 1
1 402 . 14 1 1 A 41 41 SER N N 41 116.490 113.791 2.699 1
1 403 . 14 1 1 A 41 41 SER H H 41 8.541 7.920 0.621 1
1 404 . 14 1 1 A 41 41 SER CA C 41 58.569 59.730 -1.161 1
1 405 . 14 1 1 A 41 41 SER CB C 41 64.089 62.793 1.296 1
1 406 . 14 1 1 A 42 42 GLY HA2 H 42 4.122 3.867 0.255 1
1 407 . 14 1 1 A 43 43 PRO CA C 43 63.258 63.666 -0.408 1
1 408 . 14 1 1 A 43 43 PRO HA H 43 4.490 4.322 0.168 1
1 409 . 14 1 1 A 43 43 PRO CB C 43 32.196 32.120 0.076 1
1 418 . 14 1 1 A 44 44 SER N N 44 115.698 114.883 0.815 1
1 419 . 14 1 1 A 44 44 SER H H 44 8.413 8.075 0.338 1
1 420 . 14 1 1 A 44 44 SER CA C 44 58.408 59.368 -0.960 1
1 421 . 14 1 1 A 44 44 SER HA H 44 4.489 4.098 0.391 1
1 422 . 14 1 1 A 44 44 SER CB C 44 63.941 61.772 2.169 1
1 424 . 14 1 1 A 45 45 SER CA C 45 58.456 59.555 -1.099 1
1 425 . 14 1 1 A 45 45 SER HA H 45 4.490 4.360 0.130 1
1 426 . 14 1 1 A 45 45 SER CB C 45 64.115 63.201 0.914 1
1 428 . 14 1 1 A 45 45 SER C C 45 173.910 173.974 -0.064 1
1 3 . 15 1 1 A 7 7 GLY CA C 7 45.395 43.987 1.408 1
1 4 . 15 1 1 A 7 7 GLY HA3 H 7 4.028 4.234 -0.206 1
1 5 . 15 1 1 A 7 7 GLY C C 7 174.345 171.902 2.443 1
1 6 . 15 1 1 A 7 7 GLY HA2 H 7 4.028 4.234 -0.206 1
1 7 . 15 1 1 A 8 8 THR N N 8 114.076 117.751 -3.675 1
1 8 . 15 1 1 A 8 8 THR H H 8 8.041 8.653 -0.612 1
1 9 . 15 1 1 A 8 8 THR CA C 8 61.746 59.498 2.248 1
1 10 . 15 1 1 A 8 8 THR HA H 8 4.321 5.084 -0.763 1
1 11 . 15 1 1 A 8 8 THR CB C 8 69.981 71.724 -1.743 1
1 17 . 15 1 1 A 8 8 THR C C 8 174.522 173.138 1.384 1
1 18 . 15 1 1 A 9 9 LYS N N 9 123.558 123.649 -0.091 1
1 19 . 15 1 1 A 9 9 LYS H H 9 8.347 8.578 -0.231 1
1 20 . 15 1 1 A 9 9 LYS CA C 9 56.456 55.389 1.067 1
1 21 . 15 1 1 A 9 9 LYS HA H 9 4.243 4.667 -0.424 1
1 22 . 15 1 1 A 9 9 LYS CB C 9 32.910 31.920 0.990 1
1 29 . 15 1 1 A 9 9 LYS C C 9 176.303 176.856 -0.553 1
1 34 . 15 1 1 A 10 10 GLU N N 10 121.405 123.560 -2.155 1
1 35 . 15 1 1 A 10 10 GLU H H 10 8.292 8.766 -0.474 1
1 36 . 15 1 1 A 10 10 GLU CA C 10 56.554 58.221 -1.667 1
1 37 . 15 1 1 A 10 10 GLU HA H 10 4.132 4.074 0.058 1
1 38 . 15 1 1 A 10 10 GLU CB C 10 30.305 30.512 -0.207 1
1 42 . 15 1 1 A 10 10 GLU C C 10 176.024 176.105 -0.081 1
1 45 . 15 1 1 A 11 11 HIS N N 11 121.270 114.421 6.849 1
1 46 . 15 1 1 A 11 11 HIS H H 11 8.258 7.668 0.590 1
1 47 . 15 1 1 A 11 11 HIS CA C 11 53.734 53.876 -0.142 1
1 48 . 15 1 1 A 11 11 HIS HA H 11 4.831 5.025 -0.194 1
1 49 . 15 1 1 A 11 11 HIS CB C 11 31.178 33.181 -2.003 1
1 55 . 15 1 1 A 11 11 HIS C C 11 174.107 174.786 -0.679 1
1 57 . 15 1 1 A 12 12 PRO CA C 12 63.651 64.113 -0.462 1
1 58 . 15 1 1 A 12 12 PRO HA H 12 4.301 4.237 0.064 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.098 31.390 0.708 1
1 65 . 15 1 1 A 12 12 PRO C C 12 176.381 175.991 0.390 1
1 69 . 15 1 1 A 13 13 PHE N N 13 116.995 118.261 -1.266 1
1 70 . 15 1 1 A 13 13 PHE H H 13 7.836 7.563 0.273 1
1 71 . 15 1 1 A 13 13 PHE CA C 13 57.114 56.706 0.408 1
1 72 . 15 1 1 A 13 13 PHE HA H 13 4.804 5.272 -0.468 1
1 73 . 15 1 1 A 13 13 PHE CB C 13 39.642 41.739 -2.097 1
1 85 . 15 1 1 A 13 13 PHE C C 13 174.042 174.123 -0.081 1
1 87 . 15 1 1 A 14 14 LYS N N 14 124.716 123.674 1.042 1
1 88 . 15 1 1 A 14 14 LYS H H 14 8.671 9.026 -0.355 1
1 89 . 15 1 1 A 14 14 LYS CA C 14 55.018 54.919 0.099 1
1 90 . 15 1 1 A 14 14 LYS HA H 14 4.973 5.309 -0.336 1
1 91 . 15 1 1 A 14 14 LYS CB C 14 36.127 36.411 -0.284 1
1 99 . 15 1 1 A 14 14 LYS C C 14 174.476 175.488 -1.012 1
1 104 . 15 1 1 A 15 15 CYS N N 15 127.379 125.284 2.095 1
1 105 . 15 1 1 A 15 15 CYS H H 15 9.267 9.026 0.241 1
1 106 . 15 1 1 A 15 15 CYS CA C 15 59.230 60.256 -1.026 1
1 107 . 15 1 1 A 15 15 CYS HA H 15 4.592 4.568 0.024 1
1 108 . 15 1 1 A 15 15 CYS CB C 15 29.614 28.214 1.400 1
1 110 . 15 1 1 A 15 15 CYS C C 15 176.798 175.617 1.181 1
1 112 . 15 1 1 A 16 16 ASN N N 16 130.287 127.000 3.287 1
1 113 . 15 1 1 A 16 16 ASN H H 16 9.447 9.263 0.184 1
1 114 . 15 1 1 A 16 16 ASN CA C 16 55.588 53.995 1.593 1
1 115 . 15 1 1 A 16 16 ASN HA H 16 4.548 4.826 -0.278 1
1 116 . 15 1 1 A 16 16 ASN CB C 16 38.414 39.075 -0.661 1
1 121 . 15 1 1 A 16 16 ASN C C 16 175.463 177.112 -1.649 1
1 123 . 15 1 1 A 17 17 GLU N N 17 120.826 118.641 2.185 1
1 124 . 15 1 1 A 17 17 GLU H H 17 8.704 7.769 0.935 1
1 125 . 15 1 1 A 17 17 GLU CA C 17 58.511 59.234 -0.723 1
1 126 . 15 1 1 A 17 17 GLU HA H 17 4.227 3.950 0.277 1
1 127 . 15 1 1 A 17 17 GLU CB C 17 29.478 29.304 0.174 1
1 131 . 15 1 1 A 17 17 GLU C C 17 177.096 177.720 -0.624 1
1 134 . 15 1 1 A 18 18 CYS N N 18 114.551 115.019 -0.468 1
1 135 . 15 1 1 A 18 18 CYS H H 18 7.945 7.472 0.473 1
1 136 . 15 1 1 A 18 18 CYS CA C 18 58.357 59.676 -1.319 1
1 137 . 15 1 1 A 18 18 CYS HA H 18 5.196 4.718 0.478 1
1 138 . 15 1 1 A 18 18 CYS CB C 18 32.462 30.049 2.413 1
1 140 . 15 1 1 A 18 18 CYS C C 18 176.232 175.665 0.567 1
1 142 . 15 1 1 A 19 19 GLY N N 19 113.587 110.132 3.455 1
1 143 . 15 1 1 A 19 19 GLY H H 19 8.233 8.175 0.058 1
1 144 . 15 1 1 A 19 19 GLY CA C 19 46.310 45.192 1.118 1
1 145 . 15 1 1 A 19 19 GLY HA3 H 19 4.284 4.096 0.188 1
1 146 . 15 1 1 A 19 19 GLY C C 19 173.663 174.706 -1.043 1
1 147 . 15 1 1 A 19 19 GLY HA2 H 19 3.758 4.082 -0.324 1
1 148 . 15 1 1 A 20 20 LYS N N 20 122.684 119.874 2.810 1
1 149 . 15 1 1 A 20 20 LYS H H 20 7.972 7.490 0.482 1
1 150 . 15 1 1 A 20 20 LYS CA C 20 58.156 55.806 2.350 1
1 151 . 15 1 1 A 20 20 LYS HA H 20 4.078 4.504 -0.426 1
1 152 . 15 1 1 A 20 20 LYS CB C 20 33.727 34.268 -0.541 1
1 160 . 15 1 1 A 20 20 LYS C C 20 174.656 175.238 -0.582 1
1 165 . 15 1 1 A 21 21 THR N N 21 110.579 111.076 -0.497 1
1 166 . 15 1 1 A 21 21 THR H H 21 7.609 8.100 -0.491 1
1 167 . 15 1 1 A 21 21 THR CA C 21 59.691 60.174 -0.483 1
1 168 . 15 1 1 A 21 21 THR HA H 21 5.205 5.449 -0.244 1
1 169 . 15 1 1 A 21 21 THR CB C 21 71.137 72.053 -0.916 1
1 175 . 15 1 1 A 21 21 THR C C 21 173.496 172.868 0.628 1
1 176 . 15 1 1 A 22 22 PHE N N 22 116.127 119.251 -3.124 1
1 177 . 15 1 1 A 22 22 PHE H H 22 8.683 9.022 -0.339 1
1 178 . 15 1 1 A 22 22 PHE CA C 22 56.997 56.930 0.067 1
1 179 . 15 1 1 A 22 22 PHE HA H 22 4.759 4.836 -0.077 1
1 180 . 15 1 1 A 22 22 PHE CB C 22 44.522 42.622 1.900 1
1 192 . 15 1 1 A 22 22 PHE C C 22 175.274 175.665 -0.391 1
1 194 . 15 1 1 A 23 23 SER N N 23 115.350 118.312 -2.962 1
1 195 . 15 1 1 A 23 23 SER H H 23 9.509 8.470 1.039 1
1 196 . 15 1 1 A 23 23 SER CA C 23 60.097 61.189 -1.092 1
1 197 . 15 1 1 A 23 23 SER HA H 23 4.455 4.001 0.454 1
1 198 . 15 1 1 A 23 23 SER CB C 23 64.104 63.209 0.895 1
1 201 . 15 1 1 A 24 24 HIS N N 24 117.610 117.004 0.606 1
1 202 . 15 1 1 A 24 24 HIS H H 24 7.093 8.409 -1.316 1
1 203 . 15 1 1 A 24 24 HIS CA C 24 55.771 55.752 0.019 1
1 204 . 15 1 1 A 24 24 HIS HA H 24 4.570 5.098 -0.528 1
1 205 . 15 1 1 A 24 24 HIS CB C 24 33.304 32.027 1.277 1
1 212 . 15 1 1 A 25 25 SER H H 25 7.251 8.543 -1.292 1
1 213 . 15 1 1 A 25 25 SER CA C 25 61.178 60.540 0.638 1
1 214 . 15 1 1 A 25 25 SER HA H 25 2.986 2.870 0.116 1
1 215 . 15 1 1 A 25 25 SER CB C 25 61.917 61.817 0.100 1
1 218 . 15 1 1 A 26 26 ALA CA C 26 54.851 55.144 -0.293 1
1 219 . 15 1 1 A 26 26 ALA HA H 26 4.129 3.867 0.262 1
1 220 . 15 1 1 A 26 26 ALA CB C 26 18.182 18.391 -0.209 1
1 224 . 15 1 1 A 26 26 ALA C C 26 180.317 179.396 0.921 1
1 225 . 15 1 1 A 27 27 HIS N N 27 116.106 116.023 0.083 1
1 226 . 15 1 1 A 27 27 HIS H H 27 6.999 7.522 -0.523 1
1 227 . 15 1 1 A 27 27 HIS CA C 27 56.588 59.519 -2.931 1
1 228 . 15 1 1 A 27 27 HIS HA H 27 4.470 4.228 0.242 1
1 229 . 15 1 1 A 27 27 HIS CB C 27 31.665 29.862 1.803 1
1 235 . 15 1 1 A 27 27 HIS C C 27 178.498 177.115 1.383 1
1 237 . 15 1 1 A 28 28 LEU N N 28 121.252 120.716 0.536 1
1 238 . 15 1 1 A 28 28 LEU H H 28 6.954 7.851 -0.897 1
1 239 . 15 1 1 A 28 28 LEU CA C 28 57.761 57.807 -0.046 1
1 240 . 15 1 1 A 28 28 LEU HA H 28 3.160 2.808 0.352 1
1 241 . 15 1 1 A 28 28 LEU CB C 28 40.366 41.633 -1.267 1
1 253 . 15 1 1 A 28 28 LEU C C 28 177.469 178.161 -0.692 1
1 255 . 15 1 1 A 29 29 SER N N 29 114.613 114.255 0.358 1
1 256 . 15 1 1 A 29 29 SER H H 29 8.258 7.859 0.399 1
1 257 . 15 1 1 A 29 29 SER CA C 29 62.389 61.570 0.819 1
1 258 . 15 1 1 A 29 29 SER HA H 29 3.861 4.000 -0.139 1
1 259 . 15 1 1 A 29 29 SER CB C 29 62.209 62.867 -0.658 1
1 261 . 15 1 1 A 29 29 SER C C 29 176.889 177.172 -0.283 1
1 263 . 15 1 1 A 30 30 LYS N N 30 120.296 121.246 -0.950 1
1 264 . 15 1 1 A 30 30 LYS H H 30 7.420 7.447 -0.027 1
1 265 . 15 1 1 A 30 30 LYS CA C 30 58.898 58.843 0.055 1
1 266 . 15 1 1 A 30 30 LYS HA H 30 4.064 3.963 0.101 1
1 267 . 15 1 1 A 30 30 LYS CB C 30 32.454 31.989 0.465 1
1 275 . 15 1 1 A 30 30 LYS C C 30 178.850 178.673 0.177 1
1 280 . 15 1 1 A 31 31 HIS N N 31 119.097 119.758 -0.661 1
1 281 . 15 1 1 A 31 31 HIS H H 31 7.585 8.139 -0.554 1
1 282 . 15 1 1 A 31 31 HIS CA C 31 59.221 58.740 0.481 1
1 283 . 15 1 1 A 31 31 HIS HA H 31 4.186 4.132 0.054 1
1 284 . 15 1 1 A 31 31 HIS CB C 31 28.480 30.055 -1.575 1
1 290 . 15 1 1 A 31 31 HIS C C 31 176.309 176.934 -0.625 1
1 292 . 15 1 1 A 32 32 GLN N N 32 115.041 117.944 -2.903 1
1 293 . 15 1 1 A 32 32 GLN H H 32 8.315 7.829 0.486 1
1 294 . 15 1 1 A 32 32 GLN CA C 32 59.416 58.623 0.793 1
1 295 . 15 1 1 A 32 32 GLN HA H 32 3.715 4.120 -0.405 1
1 296 . 15 1 1 A 32 32 GLN CB C 32 28.247 28.461 -0.214 1
1 303 . 15 1 1 A 32 32 GLN C C 32 177.758 179.048 -1.290 1
1 306 . 15 1 1 A 33 33 LEU N N 33 118.894 120.153 -1.259 1
1 307 . 15 1 1 A 33 33 LEU H H 33 7.181 7.692 -0.511 1
1 308 . 15 1 1 A 33 33 LEU CA C 33 57.476 57.747 -0.271 1
1 309 . 15 1 1 A 33 33 LEU HA H 33 4.056 4.062 -0.006 1
1 310 . 15 1 1 A 33 33 LEU CB C 33 41.570 41.235 0.335 1
1 322 . 15 1 1 A 33 33 LEU C C 33 179.710 179.167 0.543 1
1 324 . 15 1 1 A 34 34 ILE N N 34 116.556 115.125 1.431 1
1 325 . 15 1 1 A 34 34 ILE H H 34 7.824 7.605 0.219 1
1 326 . 15 1 1 A 34 34 ILE CA C 34 63.328 63.967 -0.639 1
1 327 . 15 1 1 A 34 34 ILE HA H 34 3.939 3.794 0.145 1
1 328 . 15 1 1 A 34 34 ILE CB C 34 37.595 36.836 0.759 1
1 340 . 15 1 1 A 34 34 ILE C C 34 177.765 177.837 -0.072 1
1 342 . 15 1 1 A 35 35 HIS N N 35 117.319 119.474 -2.155 1
1 343 . 15 1 1 A 35 35 HIS H H 35 7.053 7.387 -0.334 1
1 344 . 15 1 1 A 35 35 HIS CA C 35 55.162 59.069 -3.907 1
1 345 . 15 1 1 A 35 35 HIS HA H 35 4.793 4.295 0.498 1
1 346 . 15 1 1 A 35 35 HIS CB C 35 28.486 30.376 -1.890 1
1 352 . 15 1 1 A 35 35 HIS C C 35 175.328 176.004 -0.676 1
1 354 . 15 1 1 A 36 36 ALA N N 36 122.453 120.779 1.674 1
1 355 . 15 1 1 A 36 36 ALA H H 36 7.546 7.142 0.404 1
1 356 . 15 1 1 A 36 36 ALA CA C 36 53.295 51.857 1.438 1
1 357 . 15 1 1 A 36 36 ALA HA H 36 4.340 4.186 0.154 1
1 358 . 15 1 1 A 36 36 ALA CB C 36 19.226 18.910 0.316 1
1 362 . 15 1 1 A 36 36 ALA C C 36 178.109 177.225 0.884 1
1 363 . 15 1 1 A 37 37 GLY N N 37 107.129 111.602 -4.473 1
1 364 . 15 1 1 A 37 37 GLY H H 37 8.129 8.794 -0.665 1
1 365 . 15 1 1 A 37 37 GLY CA C 37 45.268 45.938 -0.670 1
1 366 . 15 1 1 A 37 37 GLY HA3 H 37 3.998 4.183 -0.185 1
1 367 . 15 1 1 A 37 37 GLY C C 37 174.043 173.122 0.921 1
1 368 . 15 1 1 A 37 37 GLY HA2 H 37 3.954 4.177 -0.223 1
1 369 . 15 1 1 A 38 38 GLU N N 38 119.932 123.884 -3.952 1
1 370 . 15 1 1 A 38 38 GLU H H 38 8.057 8.828 -0.771 1
1 371 . 15 1 1 A 38 38 GLU CA C 38 56.397 56.304 0.093 1
1 372 . 15 1 1 A 38 38 GLU HA H 38 4.284 4.635 -0.351 1
1 373 . 15 1 1 A 38 38 GLU CB C 38 30.566 30.527 0.039 1
1 377 . 15 1 1 A 38 38 GLU C C 38 176.062 176.064 -0.002 1
1 380 . 15 1 1 A 39 39 ASN N N 39 120.263 121.114 -0.851 1
1 381 . 15 1 1 A 39 39 ASN H H 39 8.524 8.493 0.031 1
1 382 . 15 1 1 A 39 39 ASN CA C 39 51.432 49.879 1.553 1
1 383 . 15 1 1 A 39 39 ASN HA H 39 4.986 5.209 -0.223 1
1 384 . 15 1 1 A 39 39 ASN CB C 39 39.023 41.646 -2.623 1
1 389 . 15 1 1 A 39 39 ASN C C 39 173.352 175.066 -1.714 1
1 391 . 15 1 1 A 40 40 PRO CA C 40 63.132 64.001 -0.869 1
1 392 . 15 1 1 A 40 40 PRO HA H 40 4.437 4.492 -0.055 1
1 393 . 15 1 1 A 40 40 PRO CB C 40 32.192 31.567 0.625 1
1 402 . 15 1 1 A 41 41 SER N N 41 116.490 112.762 3.728 1
1 403 . 15 1 1 A 41 41 SER H H 41 8.541 8.165 0.376 1
1 404 . 15 1 1 A 41 41 SER CA C 41 58.569 57.233 1.336 1
1 405 . 15 1 1 A 41 41 SER CB C 41 64.089 63.992 0.097 1
1 406 . 15 1 1 A 42 42 GLY HA2 H 42 4.122 4.248 -0.126 1
1 407 . 15 1 1 A 43 43 PRO CA C 43 63.258 64.798 -1.540 1
1 408 . 15 1 1 A 43 43 PRO HA H 43 4.490 4.382 0.108 1
1 409 . 15 1 1 A 43 43 PRO CB C 43 32.196 32.060 0.136 1
1 418 . 15 1 1 A 44 44 SER N N 44 115.698 113.358 2.340 1
1 419 . 15 1 1 A 44 44 SER H H 44 8.413 7.743 0.670 1
1 420 . 15 1 1 A 44 44 SER CA C 44 58.408 57.877 0.531 1
1 421 . 15 1 1 A 44 44 SER HA H 44 4.489 4.383 0.106 1
1 422 . 15 1 1 A 44 44 SER CB C 44 63.941 63.827 0.114 1
1 424 . 15 1 1 A 45 45 SER CA C 45 58.456 58.571 -0.115 1
1 425 . 15 1 1 A 45 45 SER HA H 45 4.490 4.680 -0.190 1
1 426 . 15 1 1 A 45 45 SER CB C 45 64.115 62.080 2.035 1
1 428 . 15 1 1 A 45 45 SER C C 45 173.910 175.165 -1.255 1
1 3 . 16 1 1 A 7 7 GLY CA C 7 45.395 45.772 -0.377 1
1 4 . 16 1 1 A 7 7 GLY HA3 H 7 4.028 4.103 -0.075 1
1 5 . 16 1 1 A 7 7 GLY C C 7 174.345 174.301 0.044 1
1 6 . 16 1 1 A 7 7 GLY HA2 H 7 4.028 4.101 -0.073 1
1 7 . 16 1 1 A 8 8 THR N N 8 114.076 116.567 -2.491 1
1 8 . 16 1 1 A 8 8 THR H H 8 8.041 8.718 -0.677 1
1 9 . 16 1 1 A 8 8 THR CA C 8 61.746 64.294 -2.548 1
1 10 . 16 1 1 A 8 8 THR HA H 8 4.321 4.269 0.052 1
1 11 . 16 1 1 A 8 8 THR CB C 8 69.981 69.683 0.298 1
1 17 . 16 1 1 A 8 8 THR C C 8 174.522 175.192 -0.670 1
1 18 . 16 1 1 A 9 9 LYS N N 9 123.558 116.583 6.975 1
1 19 . 16 1 1 A 9 9 LYS H H 9 8.347 7.834 0.513 1
1 20 . 16 1 1 A 9 9 LYS CA C 9 56.456 57.335 -0.879 1
1 21 . 16 1 1 A 9 9 LYS HA H 9 4.243 3.933 0.310 1
1 22 . 16 1 1 A 9 9 LYS CB C 9 32.910 29.522 3.388 1
1 29 . 16 1 1 A 9 9 LYS C C 9 176.303 176.110 0.193 1
1 34 . 16 1 1 A 10 10 GLU N N 10 121.405 117.075 4.330 1
1 35 . 16 1 1 A 10 10 GLU H H 10 8.292 8.325 -0.033 1
1 36 . 16 1 1 A 10 10 GLU CA C 10 56.554 57.731 -1.177 1
1 37 . 16 1 1 A 10 10 GLU HA H 10 4.132 4.261 -0.129 1
1 38 . 16 1 1 A 10 10 GLU CB C 10 30.305 31.153 -0.848 1
1 42 . 16 1 1 A 10 10 GLU C C 10 176.024 176.323 -0.299 1
1 45 . 16 1 1 A 11 11 HIS N N 11 121.270 115.503 5.767 1
1 46 . 16 1 1 A 11 11 HIS H H 11 8.258 7.678 0.580 1
1 47 . 16 1 1 A 11 11 HIS CA C 11 53.734 54.059 -0.325 1
1 48 . 16 1 1 A 11 11 HIS HA H 11 4.831 4.944 -0.113 1
1 49 . 16 1 1 A 11 11 HIS CB C 11 31.178 33.680 -2.502 1
1 55 . 16 1 1 A 11 11 HIS C C 11 174.107 174.509 -0.402 1
1 57 . 16 1 1 A 12 12 PRO CA C 12 63.651 64.162 -0.511 1
1 58 . 16 1 1 A 12 12 PRO HA H 12 4.301 4.213 0.088 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.098 31.442 0.656 1
1 65 . 16 1 1 A 12 12 PRO C C 12 176.381 176.073 0.308 1
1 69 . 16 1 1 A 13 13 PHE N N 13 116.995 118.152 -1.157 1
1 70 . 16 1 1 A 13 13 PHE H H 13 7.836 7.640 0.196 1
1 71 . 16 1 1 A 13 13 PHE CA C 13 57.114 56.515 0.599 1
1 72 . 16 1 1 A 13 13 PHE HA H 13 4.804 5.181 -0.377 1
1 73 . 16 1 1 A 13 13 PHE CB C 13 39.642 40.536 -0.894 1
1 85 . 16 1 1 A 13 13 PHE C C 13 174.042 174.057 -0.015 1
1 87 . 16 1 1 A 14 14 LYS N N 14 124.716 124.820 -0.104 1
1 88 . 16 1 1 A 14 14 LYS H H 14 8.671 9.122 -0.451 1
1 89 . 16 1 1 A 14 14 LYS CA C 14 55.018 54.680 0.338 1
1 90 . 16 1 1 A 14 14 LYS HA H 14 4.973 5.496 -0.523 1
1 91 . 16 1 1 A 14 14 LYS CB C 14 36.127 35.635 0.492 1
1 99 . 16 1 1 A 14 14 LYS C C 14 174.476 175.776 -1.300 1
1 104 . 16 1 1 A 15 15 CYS N N 15 127.379 125.498 1.881 1
1 105 . 16 1 1 A 15 15 CYS H H 15 9.267 9.435 -0.168 1
1 106 . 16 1 1 A 15 15 CYS CA C 15 59.230 60.357 -1.127 1
1 107 . 16 1 1 A 15 15 CYS HA H 15 4.592 4.535 0.057 1
1 108 . 16 1 1 A 15 15 CYS CB C 15 29.614 28.814 0.800 1
1 110 . 16 1 1 A 15 15 CYS C C 15 176.798 175.158 1.640 1
1 112 . 16 1 1 A 16 16 ASN N N 16 130.287 126.056 4.231 1
1 113 . 16 1 1 A 16 16 ASN H H 16 9.447 9.018 0.429 1
1 114 . 16 1 1 A 16 16 ASN CA C 16 55.588 54.221 1.367 1
1 115 . 16 1 1 A 16 16 ASN HA H 16 4.548 4.754 -0.206 1
1 116 . 16 1 1 A 16 16 ASN CB C 16 38.414 39.150 -0.736 1
1 121 . 16 1 1 A 16 16 ASN C C 16 175.463 176.427 -0.964 1
1 123 . 16 1 1 A 17 17 GLU N N 17 120.826 119.222 1.604 1
1 124 . 16 1 1 A 17 17 GLU H H 17 8.704 7.705 0.999 1
1 125 . 16 1 1 A 17 17 GLU CA C 17 58.511 58.999 -0.488 1
1 126 . 16 1 1 A 17 17 GLU HA H 17 4.227 4.006 0.221 1
1 127 . 16 1 1 A 17 17 GLU CB C 17 29.478 29.713 -0.235 1
1 131 . 16 1 1 A 17 17 GLU C C 17 177.096 177.708 -0.612 1
1 134 . 16 1 1 A 18 18 CYS N N 18 114.551 115.006 -0.455 1
1 135 . 16 1 1 A 18 18 CYS H H 18 7.945 7.899 0.046 1
1 136 . 16 1 1 A 18 18 CYS CA C 18 58.357 59.546 -1.189 1
1 137 . 16 1 1 A 18 18 CYS HA H 18 5.196 4.725 0.471 1
1 138 . 16 1 1 A 18 18 CYS CB C 18 32.462 30.157 2.305 1
1 140 . 16 1 1 A 18 18 CYS C C 18 176.232 175.721 0.511 1
1 142 . 16 1 1 A 19 19 GLY N N 19 113.587 109.913 3.674 1
1 143 . 16 1 1 A 19 19 GLY H H 19 8.233 8.075 0.158 1
1 144 . 16 1 1 A 19 19 GLY CA C 19 46.310 45.050 1.260 1
1 145 . 16 1 1 A 19 19 GLY HA3 H 19 4.284 4.099 0.185 1
1 146 . 16 1 1 A 19 19 GLY C C 19 173.663 174.511 -0.848 1
1 147 . 16 1 1 A 19 19 GLY HA2 H 19 3.758 4.086 -0.328 1
1 148 . 16 1 1 A 20 20 LYS N N 20 122.684 120.083 2.601 1
1 149 . 16 1 1 A 20 20 LYS H H 20 7.972 7.345 0.627 1
1 150 . 16 1 1 A 20 20 LYS CA C 20 58.156 56.379 1.777 1
1 151 . 16 1 1 A 20 20 LYS HA H 20 4.078 4.266 -0.188 1
1 152 . 16 1 1 A 20 20 LYS CB C 20 33.727 34.040 -0.313 1
1 160 . 16 1 1 A 20 20 LYS C C 20 174.656 175.573 -0.917 1
1 165 . 16 1 1 A 21 21 THR N N 21 110.579 111.414 -0.835 1
1 166 . 16 1 1 A 21 21 THR H H 21 7.609 8.452 -0.843 1
1 167 . 16 1 1 A 21 21 THR CA C 21 59.691 59.842 -0.151 1
1 168 . 16 1 1 A 21 21 THR HA H 21 5.205 5.387 -0.182 1
1 169 . 16 1 1 A 21 21 THR CB C 21 71.137 71.739 -0.602 1
1 175 . 16 1 1 A 21 21 THR C C 21 173.496 173.293 0.203 1
1 176 . 16 1 1 A 22 22 PHE N N 22 116.127 119.125 -2.998 1
1 177 . 16 1 1 A 22 22 PHE H H 22 8.683 9.223 -0.540 1
1 178 . 16 1 1 A 22 22 PHE CA C 22 56.997 56.892 0.105 1
1 179 . 16 1 1 A 22 22 PHE HA H 22 4.759 4.830 -0.071 1
1 180 . 16 1 1 A 22 22 PHE CB C 22 44.522 42.815 1.707 1
1 192 . 16 1 1 A 22 22 PHE C C 22 175.274 175.998 -0.724 1
1 194 . 16 1 1 A 23 23 SER N N 23 115.350 116.996 -1.646 1
1 195 . 16 1 1 A 23 23 SER H H 23 9.509 8.602 0.907 1
1 196 . 16 1 1 A 23 23 SER CA C 23 60.097 60.365 -0.268 1
1 197 . 16 1 1 A 23 23 SER HA H 23 4.455 3.737 0.718 1
1 198 . 16 1 1 A 23 23 SER CB C 23 64.104 62.882 1.222 1
1 201 . 16 1 1 A 24 24 HIS N N 24 117.610 120.080 -2.470 1
1 202 . 16 1 1 A 24 24 HIS H H 24 7.093 8.258 -1.165 1
1 203 . 16 1 1 A 24 24 HIS CA C 24 55.771 55.370 0.401 1
1 204 . 16 1 1 A 24 24 HIS HA H 24 4.570 5.045 -0.475 1
1 205 . 16 1 1 A 24 24 HIS CB C 24 33.304 32.157 1.147 1
1 212 . 16 1 1 A 25 25 SER H H 25 7.251 8.350 -1.099 1
1 213 . 16 1 1 A 25 25 SER CA C 25 61.178 60.611 0.567 1
1 214 . 16 1 1 A 25 25 SER HA H 25 2.986 2.886 0.100 1
1 215 . 16 1 1 A 25 25 SER CB C 25 61.917 61.681 0.236 1
1 218 . 16 1 1 A 26 26 ALA CA C 26 54.851 55.056 -0.205 1
1 219 . 16 1 1 A 26 26 ALA HA H 26 4.129 3.826 0.303 1
1 220 . 16 1 1 A 26 26 ALA CB C 26 18.182 18.184 -0.002 1
1 224 . 16 1 1 A 26 26 ALA C C 26 180.317 179.406 0.911 1
1 225 . 16 1 1 A 27 27 HIS N N 27 116.106 115.947 0.159 1
1 226 . 16 1 1 A 27 27 HIS H H 27 6.999 7.577 -0.578 1
1 227 . 16 1 1 A 27 27 HIS CA C 27 56.588 59.244 -2.656 1
1 228 . 16 1 1 A 27 27 HIS HA H 27 4.470 4.227 0.243 1
1 229 . 16 1 1 A 27 27 HIS CB C 27 31.665 29.953 1.712 1
1 235 . 16 1 1 A 27 27 HIS C C 27 178.498 177.194 1.304 1
1 237 . 16 1 1 A 28 28 LEU N N 28 121.252 121.014 0.238 1
1 238 . 16 1 1 A 28 28 LEU H H 28 6.954 7.675 -0.721 1
1 239 . 16 1 1 A 28 28 LEU CA C 28 57.761 57.705 0.056 1
1 240 . 16 1 1 A 28 28 LEU HA H 28 3.160 2.861 0.299 1
1 241 . 16 1 1 A 28 28 LEU CB C 28 40.366 41.595 -1.229 1
1 253 . 16 1 1 A 28 28 LEU C C 28 177.469 178.083 -0.614 1
1 255 . 16 1 1 A 29 29 SER N N 29 114.613 114.413 0.200 1
1 256 . 16 1 1 A 29 29 SER H H 29 8.258 8.102 0.156 1
1 257 . 16 1 1 A 29 29 SER CA C 29 62.389 61.451 0.938 1
1 258 . 16 1 1 A 29 29 SER HA H 29 3.861 4.007 -0.146 1
1 259 . 16 1 1 A 29 29 SER CB C 29 62.209 62.926 -0.717 1
1 261 . 16 1 1 A 29 29 SER C C 29 176.889 177.136 -0.247 1
1 263 . 16 1 1 A 30 30 LYS N N 30 120.296 121.171 -0.875 1
1 264 . 16 1 1 A 30 30 LYS H H 30 7.420 7.353 0.067 1
1 265 . 16 1 1 A 30 30 LYS CA C 30 58.898 58.814 0.084 1
1 266 . 16 1 1 A 30 30 LYS HA H 30 4.064 3.975 0.089 1
1 267 . 16 1 1 A 30 30 LYS CB C 30 32.454 32.128 0.326 1
1 275 . 16 1 1 A 30 30 LYS C C 30 178.850 178.646 0.204 1
1 280 . 16 1 1 A 31 31 HIS N N 31 119.097 119.931 -0.834 1
1 281 . 16 1 1 A 31 31 HIS H H 31 7.585 8.159 -0.574 1
1 282 . 16 1 1 A 31 31 HIS CA C 31 59.221 58.752 0.469 1
1 283 . 16 1 1 A 31 31 HIS HA H 31 4.186 4.140 0.046 1
1 284 . 16 1 1 A 31 31 HIS CB C 31 28.480 30.111 -1.631 1
1 290 . 16 1 1 A 31 31 HIS C C 31 176.309 176.934 -0.625 1
1 292 . 16 1 1 A 32 32 GLN N N 32 115.041 118.073 -3.032 1
1 293 . 16 1 1 A 32 32 GLN H H 32 8.315 7.813 0.502 1
1 294 . 16 1 1 A 32 32 GLN CA C 32 59.416 58.549 0.867 1
1 295 . 16 1 1 A 32 32 GLN HA H 32 3.715 4.143 -0.428 1
1 296 . 16 1 1 A 32 32 GLN CB C 32 28.247 28.326 -0.079 1
1 303 . 16 1 1 A 32 32 GLN C C 32 177.758 179.089 -1.331 1
1 306 . 16 1 1 A 33 33 LEU N N 33 118.894 120.318 -1.424 1
1 307 . 16 1 1 A 33 33 LEU H H 33 7.181 7.983 -0.802 1
1 308 . 16 1 1 A 33 33 LEU CA C 33 57.476 57.861 -0.385 1
1 309 . 16 1 1 A 33 33 LEU HA H 33 4.056 4.017 0.039 1
1 310 . 16 1 1 A 33 33 LEU CB C 33 41.570 41.237 0.333 1
1 322 . 16 1 1 A 33 33 LEU C C 33 179.710 179.405 0.305 1
1 324 . 16 1 1 A 34 34 ILE N N 34 116.556 114.996 1.560 1
1 325 . 16 1 1 A 34 34 ILE H H 34 7.824 7.591 0.233 1
1 326 . 16 1 1 A 34 34 ILE CA C 34 63.328 64.137 -0.809 1
1 327 . 16 1 1 A 34 34 ILE HA H 34 3.939 3.793 0.146 1
1 328 . 16 1 1 A 34 34 ILE CB C 34 37.595 36.851 0.744 1
1 340 . 16 1 1 A 34 34 ILE C C 34 177.765 177.835 -0.070 1
1 342 . 16 1 1 A 35 35 HIS N N 35 117.319 119.314 -1.995 1
1 343 . 16 1 1 A 35 35 HIS H H 35 7.053 7.639 -0.586 1
1 344 . 16 1 1 A 35 35 HIS CA C 35 55.162 58.930 -3.768 1
1 345 . 16 1 1 A 35 35 HIS HA H 35 4.793 4.304 0.489 1
1 346 . 16 1 1 A 35 35 HIS CB C 35 28.486 30.590 -2.104 1
1 352 . 16 1 1 A 35 35 HIS C C 35 175.328 175.689 -0.361 1
1 354 . 16 1 1 A 36 36 ALA N N 36 122.453 120.731 1.722 1
1 355 . 16 1 1 A 36 36 ALA H H 36 7.546 7.329 0.217 1
1 356 . 16 1 1 A 36 36 ALA CA C 36 53.295 51.716 1.579 1
1 357 . 16 1 1 A 36 36 ALA HA H 36 4.340 4.187 0.153 1
1 358 . 16 1 1 A 36 36 ALA CB C 36 19.226 19.634 -0.408 1
1 362 . 16 1 1 A 36 36 ALA C C 36 178.109 177.551 0.558 1
1 363 . 16 1 1 A 37 37 GLY N N 37 107.129 110.863 -3.734 1
1 364 . 16 1 1 A 37 37 GLY H H 37 8.129 8.846 -0.717 1
1 365 . 16 1 1 A 37 37 GLY CA C 37 45.268 45.340 -0.072 1
1 366 . 16 1 1 A 37 37 GLY HA3 H 37 3.998 4.181 -0.183 1
1 367 . 16 1 1 A 37 37 GLY C C 37 174.043 172.694 1.349 1
1 368 . 16 1 1 A 37 37 GLY HA2 H 37 3.954 4.175 -0.221 1
1 369 . 16 1 1 A 38 38 GLU N N 38 119.932 122.138 -2.206 1
1 370 . 16 1 1 A 38 38 GLU H H 38 8.057 8.892 -0.835 1
1 371 . 16 1 1 A 38 38 GLU CA C 38 56.397 54.885 1.512 1
1 372 . 16 1 1 A 38 38 GLU HA H 38 4.284 5.095 -0.811 1
1 373 . 16 1 1 A 38 38 GLU CB C 38 30.566 31.497 -0.931 1
1 377 . 16 1 1 A 38 38 GLU C C 38 176.062 174.653 1.409 1
1 380 . 16 1 1 A 39 39 ASN N N 39 120.263 123.112 -2.849 1
1 381 . 16 1 1 A 39 39 ASN H H 39 8.524 8.857 -0.333 1
1 382 . 16 1 1 A 39 39 ASN CA C 39 51.432 49.609 1.823 1
1 383 . 16 1 1 A 39 39 ASN HA H 39 4.986 5.124 -0.138 1
1 384 . 16 1 1 A 39 39 ASN CB C 39 39.023 42.255 -3.232 1
1 389 . 16 1 1 A 39 39 ASN C C 39 173.352 172.784 0.568 1
1 391 . 16 1 1 A 40 40 PRO CA C 40 63.132 62.826 0.306 1
1 392 . 16 1 1 A 40 40 PRO HA H 40 4.437 4.658 -0.221 1
1 393 . 16 1 1 A 40 40 PRO CB C 40 32.192 32.437 -0.245 1
1 402 . 16 1 1 A 41 41 SER N N 41 116.490 118.541 -2.051 1
1 403 . 16 1 1 A 41 41 SER H H 41 8.541 8.529 0.012 1
1 404 . 16 1 1 A 41 41 SER CA C 41 58.569 56.825 1.744 1
1 405 . 16 1 1 A 41 41 SER CB C 41 64.089 64.037 0.052 1
1 406 . 16 1 1 A 42 42 GLY HA2 H 42 4.122 3.819 0.303 1
1 407 . 16 1 1 A 43 43 PRO CA C 43 63.258 62.809 0.449 1
1 408 . 16 1 1 A 43 43 PRO HA H 43 4.490 4.295 0.195 1
1 409 . 16 1 1 A 43 43 PRO CB C 43 32.196 32.372 -0.176 1
1 418 . 16 1 1 A 44 44 SER N N 44 115.698 117.991 -2.293 1
1 419 . 16 1 1 A 44 44 SER H H 44 8.413 8.880 -0.467 1
1 420 . 16 1 1 A 44 44 SER CA C 44 58.408 58.973 -0.565 1
1 421 . 16 1 1 A 44 44 SER HA H 44 4.489 4.222 0.267 1
1 422 . 16 1 1 A 44 44 SER CB C 44 63.941 61.125 2.816 1
1 424 . 16 1 1 A 45 45 SER CA C 45 58.456 60.122 -1.666 1
1 425 . 16 1 1 A 45 45 SER HA H 45 4.490 4.473 0.017 1
1 426 . 16 1 1 A 45 45 SER CB C 45 64.115 64.002 0.113 1
1 428 . 16 1 1 A 45 45 SER C C 45 173.910 175.662 -1.752 1
1 3 . 17 1 1 A 7 7 GLY CA C 7 45.395 45.878 -0.483 1
1 4 . 17 1 1 A 7 7 GLY HA3 H 7 4.028 4.082 -0.054 1
1 5 . 17 1 1 A 7 7 GLY C C 7 174.345 174.560 -0.215 1
1 6 . 17 1 1 A 7 7 GLY HA2 H 7 4.028 4.075 -0.047 1
1 7 . 17 1 1 A 8 8 THR N N 8 114.076 117.491 -3.415 1
1 8 . 17 1 1 A 8 8 THR H H 8 8.041 8.877 -0.836 1
1 9 . 17 1 1 A 8 8 THR CA C 8 61.746 66.075 -4.329 1
1 10 . 17 1 1 A 8 8 THR HA H 8 4.321 4.009 0.312 1
1 11 . 17 1 1 A 8 8 THR CB C 8 69.981 68.488 1.493 1
1 17 . 17 1 1 A 8 8 THR C C 8 174.522 175.497 -0.975 1
1 18 . 17 1 1 A 9 9 LYS N N 9 123.558 122.882 0.676 1
1 19 . 17 1 1 A 9 9 LYS H H 9 8.347 7.645 0.702 1
1 20 . 17 1 1 A 9 9 LYS CA C 9 56.456 57.225 -0.769 1
1 21 . 17 1 1 A 9 9 LYS HA H 9 4.243 4.192 0.051 1
1 22 . 17 1 1 A 9 9 LYS CB C 9 32.910 33.052 -0.142 1
1 29 . 17 1 1 A 9 9 LYS C C 9 176.303 175.929 0.374 1
1 34 . 17 1 1 A 10 10 GLU N N 10 121.405 119.579 1.826 1
1 35 . 17 1 1 A 10 10 GLU H H 10 8.292 8.927 -0.635 1
1 36 . 17 1 1 A 10 10 GLU CA C 10 56.554 54.185 2.369 1
1 37 . 17 1 1 A 10 10 GLU HA H 10 4.132 4.794 -0.662 1
1 38 . 17 1 1 A 10 10 GLU CB C 10 30.305 32.683 -2.378 1
1 42 . 17 1 1 A 10 10 GLU C C 10 176.024 175.335 0.689 1
1 45 . 17 1 1 A 11 11 HIS N N 11 121.270 119.517 1.753 1
1 46 . 17 1 1 A 11 11 HIS H H 11 8.258 8.324 -0.066 1
1 47 . 17 1 1 A 11 11 HIS CA C 11 53.734 55.363 -1.629 1
1 48 . 17 1 1 A 11 11 HIS HA H 11 4.831 4.642 0.189 1
1 49 . 17 1 1 A 11 11 HIS CB C 11 31.178 29.697 1.481 1
1 55 . 17 1 1 A 11 11 HIS C C 11 174.107 175.475 -1.368 1
1 57 . 17 1 1 A 12 12 PRO CA C 12 63.651 64.286 -0.635 1
1 58 . 17 1 1 A 12 12 PRO HA H 12 4.301 4.236 0.065 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.098 31.542 0.556 1
1 65 . 17 1 1 A 12 12 PRO C C 12 176.381 176.144 0.237 1
1 69 . 17 1 1 A 13 13 PHE N N 13 116.995 118.334 -1.339 1
1 70 . 17 1 1 A 13 13 PHE H H 13 7.836 7.654 0.182 1
1 71 . 17 1 1 A 13 13 PHE CA C 13 57.114 56.761 0.353 1
1 72 . 17 1 1 A 13 13 PHE HA H 13 4.804 5.114 -0.310 1
1 73 . 17 1 1 A 13 13 PHE CB C 13 39.642 40.498 -0.856 1
1 85 . 17 1 1 A 13 13 PHE C C 13 174.042 174.251 -0.209 1
1 87 . 17 1 1 A 14 14 LYS N N 14 124.716 124.106 0.610 1
1 88 . 17 1 1 A 14 14 LYS H H 14 8.671 9.054 -0.383 1
1 89 . 17 1 1 A 14 14 LYS CA C 14 55.018 54.711 0.307 1
1 90 . 17 1 1 A 14 14 LYS HA H 14 4.973 5.484 -0.511 1
1 91 . 17 1 1 A 14 14 LYS CB C 14 36.127 36.116 0.011 1
1 99 . 17 1 1 A 14 14 LYS C C 14 174.476 175.758 -1.282 1
1 104 . 17 1 1 A 15 15 CYS N N 15 127.379 125.195 2.184 1
1 105 . 17 1 1 A 15 15 CYS H H 15 9.267 9.395 -0.128 1
1 106 . 17 1 1 A 15 15 CYS CA C 15 59.230 60.344 -1.114 1
1 107 . 17 1 1 A 15 15 CYS HA H 15 4.592 4.588 0.004 1
1 108 . 17 1 1 A 15 15 CYS CB C 15 29.614 28.866 0.748 1
1 110 . 17 1 1 A 15 15 CYS C C 15 176.798 175.764 1.034 1
1 112 . 17 1 1 A 16 16 ASN N N 16 130.287 126.262 4.025 1
1 113 . 17 1 1 A 16 16 ASN H H 16 9.447 8.980 0.467 1
1 114 . 17 1 1 A 16 16 ASN CA C 16 55.588 53.695 1.893 1
1 115 . 17 1 1 A 16 16 ASN HA H 16 4.548 4.930 -0.382 1
1 116 . 17 1 1 A 16 16 ASN CB C 16 38.414 38.507 -0.093 1
1 121 . 17 1 1 A 16 16 ASN C C 16 175.463 175.675 -0.212 1
1 123 . 17 1 1 A 17 17 GLU N N 17 120.826 117.244 3.582 1
1 124 . 17 1 1 A 17 17 GLU H H 17 8.704 7.558 1.146 1
1 125 . 17 1 1 A 17 17 GLU CA C 17 58.511 57.188 1.323 1
1 126 . 17 1 1 A 17 17 GLU HA H 17 4.227 4.365 -0.138 1
1 127 . 17 1 1 A 17 17 GLU CB C 17 29.478 30.494 -1.016 1
1 131 . 17 1 1 A 17 17 GLU C C 17 177.096 177.883 -0.787 1
1 134 . 17 1 1 A 18 18 CYS N N 18 114.551 115.248 -0.697 1
1 135 . 17 1 1 A 18 18 CYS H H 18 7.945 8.010 -0.065 1
1 136 . 17 1 1 A 18 18 CYS CA C 18 58.357 59.260 -0.903 1
1 137 . 17 1 1 A 18 18 CYS HA H 18 5.196 4.718 0.478 1
1 138 . 17 1 1 A 18 18 CYS CB C 18 32.462 30.456 2.006 1
1 140 . 17 1 1 A 18 18 CYS C C 18 176.232 175.739 0.493 1
1 142 . 17 1 1 A 19 19 GLY N N 19 113.587 110.318 3.269 1
1 143 . 17 1 1 A 19 19 GLY H H 19 8.233 8.193 0.040 1
1 144 . 17 1 1 A 19 19 GLY CA C 19 46.310 45.207 1.103 1
1 145 . 17 1 1 A 19 19 GLY HA3 H 19 4.284 4.076 0.208 1
1 146 . 17 1 1 A 19 19 GLY C C 19 173.663 174.593 -0.930 1
1 147 . 17 1 1 A 19 19 GLY HA2 H 19 3.758 4.064 -0.306 1
1 148 . 17 1 1 A 20 20 LYS N N 20 122.684 120.234 2.450 1
1 149 . 17 1 1 A 20 20 LYS H H 20 7.972 7.454 0.518 1
1 150 . 17 1 1 A 20 20 LYS CA C 20 58.156 56.231 1.925 1
1 151 . 17 1 1 A 20 20 LYS HA H 20 4.078 4.411 -0.333 1
1 152 . 17 1 1 A 20 20 LYS CB C 20 33.727 34.448 -0.721 1
1 160 . 17 1 1 A 20 20 LYS C C 20 174.656 175.548 -0.892 1
1 165 . 17 1 1 A 21 21 THR N N 21 110.579 111.236 -0.657 1
1 166 . 17 1 1 A 21 21 THR H H 21 7.609 8.487 -0.878 1
1 167 . 17 1 1 A 21 21 THR CA C 21 59.691 59.925 -0.234 1
1 168 . 17 1 1 A 21 21 THR HA H 21 5.205 5.474 -0.269 1
1 169 . 17 1 1 A 21 21 THR CB C 21 71.137 71.659 -0.522 1
1 175 . 17 1 1 A 21 21 THR C C 21 173.496 173.235 0.261 1
1 176 . 17 1 1 A 22 22 PHE N N 22 116.127 119.352 -3.225 1
1 177 . 17 1 1 A 22 22 PHE H H 22 8.683 9.284 -0.601 1
1 178 . 17 1 1 A 22 22 PHE CA C 22 56.997 56.772 0.225 1
1 179 . 17 1 1 A 22 22 PHE HA H 22 4.759 4.820 -0.061 1
1 180 . 17 1 1 A 22 22 PHE CB C 22 44.522 42.296 2.226 1
1 192 . 17 1 1 A 22 22 PHE C C 22 175.274 175.659 -0.385 1
1 194 . 17 1 1 A 23 23 SER N N 23 115.350 118.846 -3.496 1
1 195 . 17 1 1 A 23 23 SER H H 23 9.509 8.560 0.949 1
1 196 . 17 1 1 A 23 23 SER CA C 23 60.097 61.494 -1.397 1
1 197 . 17 1 1 A 23 23 SER HA H 23 4.455 4.053 0.402 1
1 198 . 17 1 1 A 23 23 SER CB C 23 64.104 63.114 0.990 1
1 201 . 17 1 1 A 24 24 HIS N N 24 117.610 116.664 0.946 1
1 202 . 17 1 1 A 24 24 HIS H H 24 7.093 8.467 -1.374 1
1 203 . 17 1 1 A 24 24 HIS CA C 24 55.771 55.595 0.176 1
1 204 . 17 1 1 A 24 24 HIS HA H 24 4.570 5.026 -0.456 1
1 205 . 17 1 1 A 24 24 HIS CB C 24 33.304 32.008 1.296 1
1 212 . 17 1 1 A 25 25 SER H H 25 7.251 8.545 -1.294 1
1 213 . 17 1 1 A 25 25 SER CA C 25 61.178 60.666 0.512 1
1 214 . 17 1 1 A 25 25 SER HA H 25 2.986 3.001 -0.015 1
1 215 . 17 1 1 A 25 25 SER CB C 25 61.917 61.666 0.251 1
1 218 . 17 1 1 A 26 26 ALA CA C 26 54.851 55.147 -0.296 1
1 219 . 17 1 1 A 26 26 ALA HA H 26 4.129 3.870 0.259 1
1 220 . 17 1 1 A 26 26 ALA CB C 26 18.182 18.027 0.155 1
1 224 . 17 1 1 A 26 26 ALA C C 26 180.317 179.421 0.896 1
1 225 . 17 1 1 A 27 27 HIS N N 27 116.106 115.908 0.198 1
1 226 . 17 1 1 A 27 27 HIS H H 27 6.999 7.493 -0.494 1
1 227 . 17 1 1 A 27 27 HIS CA C 27 56.588 59.481 -2.893 1
1 228 . 17 1 1 A 27 27 HIS HA H 27 4.470 4.230 0.240 1
1 229 . 17 1 1 A 27 27 HIS CB C 27 31.665 29.738 1.927 1
1 235 . 17 1 1 A 27 27 HIS C C 27 178.498 177.123 1.375 1
1 237 . 17 1 1 A 28 28 LEU N N 28 121.252 120.720 0.532 1
1 238 . 17 1 1 A 28 28 LEU H H 28 6.954 7.653 -0.699 1
1 239 . 17 1 1 A 28 28 LEU CA C 28 57.761 57.817 -0.056 1
1 240 . 17 1 1 A 28 28 LEU HA H 28 3.160 2.926 0.234 1
1 241 . 17 1 1 A 28 28 LEU CB C 28 40.366 41.544 -1.178 1
1 253 . 17 1 1 A 28 28 LEU C C 28 177.469 178.248 -0.779 1
1 255 . 17 1 1 A 29 29 SER N N 29 114.613 113.458 1.155 1
1 256 . 17 1 1 A 29 29 SER H H 29 8.258 8.259 -0.001 1
1 257 . 17 1 1 A 29 29 SER CA C 29 62.389 61.431 0.958 1
1 258 . 17 1 1 A 29 29 SER HA H 29 3.861 4.103 -0.242 1
1 259 . 17 1 1 A 29 29 SER CB C 29 62.209 62.609 -0.400 1
1 261 . 17 1 1 A 29 29 SER C C 29 176.889 176.679 0.210 1
1 263 . 17 1 1 A 30 30 LYS N N 30 120.296 122.318 -2.022 1
1 264 . 17 1 1 A 30 30 LYS H H 30 7.420 7.218 0.202 1
1 265 . 17 1 1 A 30 30 LYS CA C 30 58.898 58.829 0.069 1
1 266 . 17 1 1 A 30 30 LYS HA H 30 4.064 3.974 0.090 1
1 267 . 17 1 1 A 30 30 LYS CB C 30 32.454 32.153 0.301 1
1 275 . 17 1 1 A 30 30 LYS C C 30 178.850 178.705 0.145 1
1 280 . 17 1 1 A 31 31 HIS N N 31 119.097 119.923 -0.826 1
1 281 . 17 1 1 A 31 31 HIS H H 31 7.585 8.237 -0.652 1
1 282 . 17 1 1 A 31 31 HIS CA C 31 59.221 58.616 0.605 1
1 283 . 17 1 1 A 31 31 HIS HA H 31 4.186 4.133 0.053 1
1 284 . 17 1 1 A 31 31 HIS CB C 31 28.480 30.278 -1.798 1
1 290 . 17 1 1 A 31 31 HIS C C 31 176.309 176.925 -0.616 1
1 292 . 17 1 1 A 32 32 GLN N N 32 115.041 118.056 -3.015 1
1 293 . 17 1 1 A 32 32 GLN H H 32 8.315 7.910 0.405 1
1 294 . 17 1 1 A 32 32 GLN CA C 32 59.416 58.447 0.969 1
1 295 . 17 1 1 A 32 32 GLN HA H 32 3.715 4.154 -0.439 1
1 296 . 17 1 1 A 32 32 GLN CB C 32 28.247 28.262 -0.015 1
1 303 . 17 1 1 A 32 32 GLN C C 32 177.758 178.882 -1.124 1
1 306 . 17 1 1 A 33 33 LEU N N 33 118.894 120.285 -1.391 1
1 307 . 17 1 1 A 33 33 LEU H H 33 7.181 7.567 -0.386 1
1 308 . 17 1 1 A 33 33 LEU CA C 33 57.476 57.903 -0.427 1
1 309 . 17 1 1 A 33 33 LEU HA H 33 4.056 4.011 0.045 1
1 310 . 17 1 1 A 33 33 LEU CB C 33 41.570 41.386 0.184 1
1 322 . 17 1 1 A 33 33 LEU C C 33 179.710 179.381 0.329 1
1 324 . 17 1 1 A 34 34 ILE N N 34 116.556 114.987 1.569 1
1 325 . 17 1 1 A 34 34 ILE H H 34 7.824 7.523 0.301 1
1 326 . 17 1 1 A 34 34 ILE CA C 34 63.328 63.936 -0.608 1
1 327 . 17 1 1 A 34 34 ILE HA H 34 3.939 4.163 -0.224 1
1 328 . 17 1 1 A 34 34 ILE CB C 34 37.595 36.827 0.768 1
1 340 . 17 1 1 A 34 34 ILE C C 34 177.765 177.826 -0.061 1
1 342 . 17 1 1 A 35 35 HIS N N 35 117.319 121.000 -3.681 1
1 343 . 17 1 1 A 35 35 HIS H H 35 7.053 7.799 -0.746 1
1 344 . 17 1 1 A 35 35 HIS CA C 35 55.162 59.877 -4.715 1
1 345 . 17 1 1 A 35 35 HIS HA H 35 4.793 4.319 0.474 1
1 346 . 17 1 1 A 35 35 HIS CB C 35 28.486 30.185 -1.699 1
1 352 . 17 1 1 A 35 35 HIS C C 35 175.328 177.737 -2.409 1
1 354 . 17 1 1 A 36 36 ALA N N 36 122.453 122.062 0.391 1
1 355 . 17 1 1 A 36 36 ALA H H 36 7.546 7.733 -0.187 1
1 356 . 17 1 1 A 36 36 ALA CA C 36 53.295 55.068 -1.773 1
1 357 . 17 1 1 A 36 36 ALA HA H 36 4.340 3.986 0.354 1
1 358 . 17 1 1 A 36 36 ALA CB C 36 19.226 18.805 0.421 1
1 362 . 17 1 1 A 36 36 ALA C C 36 178.109 178.306 -0.197 1
1 363 . 17 1 1 A 37 37 GLY N N 37 107.129 103.582 3.547 1
1 364 . 17 1 1 A 37 37 GLY H H 37 8.129 6.982 1.147 1
1 365 . 17 1 1 A 37 37 GLY CA C 37 45.268 45.631 -0.363 1
1 366 . 17 1 1 A 37 37 GLY HA3 H 37 3.998 4.000 -0.002 1
1 367 . 17 1 1 A 37 37 GLY C C 37 174.043 174.379 -0.336 1
1 368 . 17 1 1 A 37 37 GLY HA2 H 37 3.954 3.997 -0.043 1
1 369 . 17 1 1 A 38 38 GLU N N 38 119.932 120.341 -0.409 1
1 370 . 17 1 1 A 38 38 GLU H H 38 8.057 7.901 0.156 1
1 371 . 17 1 1 A 38 38 GLU CA C 38 56.397 56.339 0.058 1
1 372 . 17 1 1 A 38 38 GLU HA H 38 4.284 4.420 -0.136 1
1 373 . 17 1 1 A 38 38 GLU CB C 38 30.566 30.530 0.036 1
1 377 . 17 1 1 A 38 38 GLU C C 38 176.062 175.928 0.134 1
1 380 . 17 1 1 A 39 39 ASN N N 39 120.263 118.514 1.749 1
1 381 . 17 1 1 A 39 39 ASN H H 39 8.524 8.651 -0.127 1
1 382 . 17 1 1 A 39 39 ASN CA C 39 51.432 49.819 1.613 1
1 383 . 17 1 1 A 39 39 ASN HA H 39 4.986 5.217 -0.231 1
1 384 . 17 1 1 A 39 39 ASN CB C 39 39.023 41.187 -2.164 1
1 389 . 17 1 1 A 39 39 ASN C C 39 173.352 175.159 -1.807 1
1 391 . 17 1 1 A 40 40 PRO CA C 40 63.132 64.732 -1.600 1
1 392 . 17 1 1 A 40 40 PRO HA H 40 4.437 4.461 -0.024 1
1 393 . 17 1 1 A 40 40 PRO CB C 40 32.192 32.141 0.051 1
1 402 . 17 1 1 A 41 41 SER N N 41 116.490 112.771 3.719 1
1 403 . 17 1 1 A 41 41 SER H H 41 8.541 7.693 0.848 1
1 404 . 17 1 1 A 41 41 SER CA C 41 58.569 58.087 0.482 1
1 405 . 17 1 1 A 41 41 SER CB C 41 64.089 66.329 -2.240 1
1 406 . 17 1 1 A 42 42 GLY HA2 H 42 4.122 4.119 0.003 1
1 407 . 17 1 1 A 43 43 PRO CA C 43 63.258 62.586 0.672 1
1 408 . 17 1 1 A 43 43 PRO HA H 43 4.490 4.630 -0.140 1
1 409 . 17 1 1 A 43 43 PRO CB C 43 32.196 33.329 -1.133 1
1 418 . 17 1 1 A 44 44 SER N N 44 115.698 113.800 1.898 1
1 419 . 17 1 1 A 44 44 SER H H 44 8.413 8.468 -0.055 1
1 420 . 17 1 1 A 44 44 SER CA C 44 58.408 56.624 1.784 1
1 421 . 17 1 1 A 44 44 SER HA H 44 4.489 5.290 -0.801 1
1 422 . 17 1 1 A 44 44 SER CB C 44 63.941 66.099 -2.158 1
1 424 . 17 1 1 A 45 45 SER CA C 45 58.456 57.195 1.261 1
1 425 . 17 1 1 A 45 45 SER HA H 45 4.490 5.146 -0.656 1
1 426 . 17 1 1 A 45 45 SER CB C 45 64.115 65.570 -1.455 1
1 428 . 17 1 1 A 45 45 SER C C 45 173.910 173.497 0.413 1
1 3 . 18 1 1 A 7 7 GLY CA C 7 45.395 44.701 0.694 1
1 4 . 18 1 1 A 7 7 GLY HA3 H 7 4.028 4.025 0.003 1
1 5 . 18 1 1 A 7 7 GLY C C 7 174.345 172.476 1.869 1
1 6 . 18 1 1 A 7 7 GLY HA2 H 7 4.028 4.022 0.006 1
1 7 . 18 1 1 A 8 8 THR N N 8 114.076 114.769 -0.693 1
1 8 . 18 1 1 A 8 8 THR H H 8 8.041 8.246 -0.205 1
1 9 . 18 1 1 A 8 8 THR CA C 8 61.746 61.766 -0.020 1
1 10 . 18 1 1 A 8 8 THR HA H 8 4.321 4.338 -0.017 1
1 11 . 18 1 1 A 8 8 THR CB C 8 69.981 69.269 0.712 1
1 17 . 18 1 1 A 8 8 THR C C 8 174.522 173.387 1.135 1
1 18 . 18 1 1 A 9 9 LYS N N 9 123.558 128.886 -5.328 1
1 19 . 18 1 1 A 9 9 LYS H H 9 8.347 8.414 -0.067 1
1 20 . 18 1 1 A 9 9 LYS CA C 9 56.456 54.759 1.697 1
1 21 . 18 1 1 A 9 9 LYS HA H 9 4.243 4.957 -0.714 1
1 22 . 18 1 1 A 9 9 LYS CB C 9 32.910 35.684 -2.774 1
1 29 . 18 1 1 A 9 9 LYS C C 9 176.303 175.103 1.200 1
1 34 . 18 1 1 A 10 10 GLU N N 10 121.405 122.085 -0.680 1
1 35 . 18 1 1 A 10 10 GLU H H 10 8.292 8.982 -0.690 1
1 36 . 18 1 1 A 10 10 GLU CA C 10 56.554 54.813 1.741 1
1 37 . 18 1 1 A 10 10 GLU HA H 10 4.132 5.020 -0.888 1
1 38 . 18 1 1 A 10 10 GLU CB C 10 30.305 33.218 -2.913 1
1 42 . 18 1 1 A 10 10 GLU C C 10 176.024 175.297 0.727 1
1 45 . 18 1 1 A 11 11 HIS N N 11 121.270 119.071 2.199 1
1 46 . 18 1 1 A 11 11 HIS H H 11 8.258 8.675 -0.417 1
1 47 . 18 1 1 A 11 11 HIS CA C 11 53.734 53.998 -0.264 1
1 48 . 18 1 1 A 11 11 HIS HA H 11 4.831 4.946 -0.115 1
1 49 . 18 1 1 A 11 11 HIS CB C 11 31.178 31.575 -0.397 1
1 55 . 18 1 1 A 11 11 HIS C C 11 174.107 175.223 -1.116 1
1 57 . 18 1 1 A 12 12 PRO CA C 12 63.651 64.114 -0.463 1
1 58 . 18 1 1 A 12 12 PRO HA H 12 4.301 4.226 0.075 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.098 31.300 0.798 1
1 65 . 18 1 1 A 12 12 PRO C C 12 176.381 176.004 0.377 1
1 69 . 18 1 1 A 13 13 PHE N N 13 116.995 118.399 -1.404 1
1 70 . 18 1 1 A 13 13 PHE H H 13 7.836 7.628 0.208 1
1 71 . 18 1 1 A 13 13 PHE CA C 13 57.114 56.696 0.418 1
1 72 . 18 1 1 A 13 13 PHE HA H 13 4.804 5.307 -0.503 1
1 73 . 18 1 1 A 13 13 PHE CB C 13 39.642 41.663 -2.021 1
1 85 . 18 1 1 A 13 13 PHE C C 13 174.042 174.260 -0.218 1
1 87 . 18 1 1 A 14 14 LYS N N 14 124.716 123.809 0.907 1
1 88 . 18 1 1 A 14 14 LYS H H 14 8.671 9.047 -0.376 1
1 89 . 18 1 1 A 14 14 LYS CA C 14 55.018 54.786 0.232 1
1 90 . 18 1 1 A 14 14 LYS HA H 14 4.973 5.443 -0.470 1
1 91 . 18 1 1 A 14 14 LYS CB C 14 36.127 35.944 0.183 1
1 99 . 18 1 1 A 14 14 LYS C C 14 174.476 175.731 -1.255 1
1 104 . 18 1 1 A 15 15 CYS N N 15 127.379 125.232 2.147 1
1 105 . 18 1 1 A 15 15 CYS H H 15 9.267 9.482 -0.215 1
1 106 . 18 1 1 A 15 15 CYS CA C 15 59.230 60.279 -1.049 1
1 107 . 18 1 1 A 15 15 CYS HA H 15 4.592 4.594 -0.002 1
1 108 . 18 1 1 A 15 15 CYS CB C 15 29.614 28.517 1.097 1
1 110 . 18 1 1 A 15 15 CYS C C 15 176.798 175.807 0.991 1
1 112 . 18 1 1 A 16 16 ASN N N 16 130.287 127.467 2.820 1
1 113 . 18 1 1 A 16 16 ASN H H 16 9.447 9.359 0.088 1
1 114 . 18 1 1 A 16 16 ASN CA C 16 55.588 54.214 1.374 1
1 115 . 18 1 1 A 16 16 ASN HA H 16 4.548 4.780 -0.232 1
1 116 . 18 1 1 A 16 16 ASN CB C 16 38.414 38.806 -0.392 1
1 121 . 18 1 1 A 16 16 ASN C C 16 175.463 177.047 -1.584 1
1 123 . 18 1 1 A 17 17 GLU N N 17 120.826 118.400 2.426 1
1 124 . 18 1 1 A 17 17 GLU H H 17 8.704 7.767 0.937 1
1 125 . 18 1 1 A 17 17 GLU CA C 17 58.511 59.059 -0.548 1
1 126 . 18 1 1 A 17 17 GLU HA H 17 4.227 3.936 0.291 1
1 127 . 18 1 1 A 17 17 GLU CB C 17 29.478 29.338 0.140 1
1 131 . 18 1 1 A 17 17 GLU C C 17 177.096 177.893 -0.797 1
1 134 . 18 1 1 A 18 18 CYS N N 18 114.551 115.018 -0.467 1
1 135 . 18 1 1 A 18 18 CYS H H 18 7.945 7.455 0.490 1
1 136 . 18 1 1 A 18 18 CYS CA C 18 58.357 59.671 -1.314 1
1 137 . 18 1 1 A 18 18 CYS HA H 18 5.196 4.715 0.481 1
1 138 . 18 1 1 A 18 18 CYS CB C 18 32.462 30.064 2.398 1
1 140 . 18 1 1 A 18 18 CYS C C 18 176.232 175.633 0.599 1
1 142 . 18 1 1 A 19 19 GLY N N 19 113.587 109.922 3.665 1
1 143 . 18 1 1 A 19 19 GLY H H 19 8.233 8.060 0.173 1
1 144 . 18 1 1 A 19 19 GLY CA C 19 46.310 45.172 1.138 1
1 145 . 18 1 1 A 19 19 GLY HA3 H 19 4.284 4.095 0.189 1
1 146 . 18 1 1 A 19 19 GLY C C 19 173.663 174.411 -0.748 1
1 147 . 18 1 1 A 19 19 GLY HA2 H 19 3.758 4.081 -0.323 1
1 148 . 18 1 1 A 20 20 LYS N N 20 122.684 120.038 2.646 1
1 149 . 18 1 1 A 20 20 LYS H H 20 7.972 7.353 0.619 1
1 150 . 18 1 1 A 20 20 LYS CA C 20 58.156 55.861 2.295 1
1 151 . 18 1 1 A 20 20 LYS HA H 20 4.078 4.410 -0.332 1
1 152 . 18 1 1 A 20 20 LYS CB C 20 33.727 34.481 -0.754 1
1 160 . 18 1 1 A 20 20 LYS C C 20 174.656 175.471 -0.815 1
1 165 . 18 1 1 A 21 21 THR N N 21 110.579 111.544 -0.965 1
1 166 . 18 1 1 A 21 21 THR H H 21 7.609 8.440 -0.831 1
1 167 . 18 1 1 A 21 21 THR CA C 21 59.691 60.065 -0.374 1
1 168 . 18 1 1 A 21 21 THR HA H 21 5.205 5.453 -0.248 1
1 169 . 18 1 1 A 21 21 THR CB C 21 71.137 71.292 -0.155 1
1 175 . 18 1 1 A 21 21 THR C C 21 173.496 173.315 0.181 1
1 176 . 18 1 1 A 22 22 PHE N N 22 116.127 119.885 -3.758 1
1 177 . 18 1 1 A 22 22 PHE H H 22 8.683 9.570 -0.887 1
1 178 . 18 1 1 A 22 22 PHE CA C 22 56.997 56.757 0.240 1
1 179 . 18 1 1 A 22 22 PHE HA H 22 4.759 5.008 -0.249 1
1 180 . 18 1 1 A 22 22 PHE CB C 22 44.522 42.620 1.902 1
1 192 . 18 1 1 A 22 22 PHE C C 22 175.274 175.878 -0.604 1
1 194 . 18 1 1 A 23 23 SER N N 23 115.350 118.600 -3.250 1
1 195 . 18 1 1 A 23 23 SER H H 23 9.509 8.773 0.736 1
1 196 . 18 1 1 A 23 23 SER CA C 23 60.097 61.586 -1.489 1
1 197 . 18 1 1 A 23 23 SER HA H 23 4.455 4.259 0.196 1
1 198 . 18 1 1 A 23 23 SER CB C 23 64.104 63.193 0.911 1
1 201 . 18 1 1 A 24 24 HIS N N 24 117.610 116.898 0.712 1
1 202 . 18 1 1 A 24 24 HIS H H 24 7.093 8.369 -1.276 1
1 203 . 18 1 1 A 24 24 HIS CA C 24 55.771 56.079 -0.308 1
1 204 . 18 1 1 A 24 24 HIS HA H 24 4.570 4.964 -0.394 1
1 205 . 18 1 1 A 24 24 HIS CB C 24 33.304 31.819 1.485 1
1 212 . 18 1 1 A 25 25 SER H H 25 7.251 8.737 -1.486 1
1 213 . 18 1 1 A 25 25 SER CA C 25 61.178 60.753 0.425 1
1 214 . 18 1 1 A 25 25 SER HA H 25 2.986 2.895 0.091 1
1 215 . 18 1 1 A 25 25 SER CB C 25 61.917 61.621 0.296 1
1 218 . 18 1 1 A 26 26 ALA CA C 26 54.851 55.121 -0.270 1
1 219 . 18 1 1 A 26 26 ALA HA H 26 4.129 3.863 0.266 1
1 220 . 18 1 1 A 26 26 ALA CB C 26 18.182 18.079 0.103 1
1 224 . 18 1 1 A 26 26 ALA C C 26 180.317 179.328 0.989 1
1 225 . 18 1 1 A 27 27 HIS N N 27 116.106 115.805 0.301 1
1 226 . 18 1 1 A 27 27 HIS H H 27 6.999 7.681 -0.682 1
1 227 . 18 1 1 A 27 27 HIS CA C 27 56.588 59.459 -2.871 1
1 228 . 18 1 1 A 27 27 HIS HA H 27 4.470 4.245 0.225 1
1 229 . 18 1 1 A 27 27 HIS CB C 27 31.665 30.023 1.642 1
1 235 . 18 1 1 A 27 27 HIS C C 27 178.498 177.298 1.200 1
1 237 . 18 1 1 A 28 28 LEU N N 28 121.252 121.335 -0.083 1
1 238 . 18 1 1 A 28 28 LEU H H 28 6.954 7.754 -0.800 1
1 239 . 18 1 1 A 28 28 LEU CA C 28 57.761 57.870 -0.109 1
1 240 . 18 1 1 A 28 28 LEU HA H 28 3.160 2.950 0.210 1
1 241 . 18 1 1 A 28 28 LEU CB C 28 40.366 41.731 -1.365 1
1 253 . 18 1 1 A 28 28 LEU C C 28 177.469 178.057 -0.588 1
1 255 . 18 1 1 A 29 29 SER N N 29 114.613 114.152 0.461 1
1 256 . 18 1 1 A 29 29 SER H H 29 8.258 7.948 0.310 1
1 257 . 18 1 1 A 29 29 SER CA C 29 62.389 61.569 0.820 1
1 258 . 18 1 1 A 29 29 SER HA H 29 3.861 4.011 -0.150 1
1 259 . 18 1 1 A 29 29 SER CB C 29 62.209 62.907 -0.698 1
1 261 . 18 1 1 A 29 29 SER C C 29 176.889 177.159 -0.270 1
1 263 . 18 1 1 A 30 30 LYS N N 30 120.296 121.086 -0.790 1
1 264 . 18 1 1 A 30 30 LYS H H 30 7.420 7.432 -0.012 1
1 265 . 18 1 1 A 30 30 LYS CA C 30 58.898 58.857 0.041 1
1 266 . 18 1 1 A 30 30 LYS HA H 30 4.064 3.970 0.094 1
1 267 . 18 1 1 A 30 30 LYS CB C 30 32.454 32.038 0.416 1
1 275 . 18 1 1 A 30 30 LYS C C 30 178.850 178.675 0.175 1
1 280 . 18 1 1 A 31 31 HIS N N 31 119.097 119.770 -0.673 1
1 281 . 18 1 1 A 31 31 HIS H H 31 7.585 7.984 -0.399 1
1 282 . 18 1 1 A 31 31 HIS CA C 31 59.221 58.748 0.473 1
1 283 . 18 1 1 A 31 31 HIS HA H 31 4.186 4.141 0.045 1
1 284 . 18 1 1 A 31 31 HIS CB C 31 28.480 30.040 -1.560 1
1 290 . 18 1 1 A 31 31 HIS C C 31 176.309 176.943 -0.634 1
1 292 . 18 1 1 A 32 32 GLN N N 32 115.041 118.040 -2.999 1
1 293 . 18 1 1 A 32 32 GLN H H 32 8.315 7.827 0.488 1
1 294 . 18 1 1 A 32 32 GLN CA C 32 59.416 58.639 0.777 1
1 295 . 18 1 1 A 32 32 GLN HA H 32 3.715 4.140 -0.425 1
1 296 . 18 1 1 A 32 32 GLN CB C 32 28.247 28.470 -0.223 1
1 303 . 18 1 1 A 32 32 GLN C C 32 177.758 178.933 -1.175 1
1 306 . 18 1 1 A 33 33 LEU N N 33 118.894 120.287 -1.393 1
1 307 . 18 1 1 A 33 33 LEU H H 33 7.181 7.662 -0.481 1
1 308 . 18 1 1 A 33 33 LEU CA C 33 57.476 57.666 -0.190 1
1 309 . 18 1 1 A 33 33 LEU HA H 33 4.056 4.062 -0.006 1
1 310 . 18 1 1 A 33 33 LEU CB C 33 41.570 41.343 0.227 1
1 322 . 18 1 1 A 33 33 LEU C C 33 179.710 179.049 0.661 1
1 324 . 18 1 1 A 34 34 ILE N N 34 116.556 115.136 1.420 1
1 325 . 18 1 1 A 34 34 ILE H H 34 7.824 7.570 0.254 1
1 326 . 18 1 1 A 34 34 ILE CA C 34 63.328 63.869 -0.541 1
1 327 . 18 1 1 A 34 34 ILE HA H 34 3.939 3.826 0.113 1
1 328 . 18 1 1 A 34 34 ILE CB C 34 37.595 36.814 0.781 1
1 340 . 18 1 1 A 34 34 ILE C C 34 177.765 177.808 -0.043 1
1 342 . 18 1 1 A 35 35 HIS N N 35 117.319 121.056 -3.737 1
1 343 . 18 1 1 A 35 35 HIS H H 35 7.053 7.739 -0.686 1
1 344 . 18 1 1 A 35 35 HIS CA C 35 55.162 59.909 -4.747 1
1 345 . 18 1 1 A 35 35 HIS HA H 35 4.793 4.245 0.548 1
1 346 . 18 1 1 A 35 35 HIS CB C 35 28.486 30.326 -1.840 1
1 352 . 18 1 1 A 35 35 HIS C C 35 175.328 177.185 -1.857 1
1 354 . 18 1 1 A 36 36 ALA N N 36 122.453 119.953 2.500 1
1 355 . 18 1 1 A 36 36 ALA H H 36 7.546 7.330 0.216 1
1 356 . 18 1 1 A 36 36 ALA CA C 36 53.295 53.798 -0.503 1
1 357 . 18 1 1 A 36 36 ALA HA H 36 4.340 4.158 0.182 1
1 358 . 18 1 1 A 36 36 ALA CB C 36 19.226 19.488 -0.262 1
1 362 . 18 1 1 A 36 36 ALA C C 36 178.109 178.335 -0.226 1
1 363 . 18 1 1 A 37 37 GLY N N 37 107.129 106.121 1.008 1
1 364 . 18 1 1 A 37 37 GLY H H 37 8.129 7.889 0.240 1
1 365 . 18 1 1 A 37 37 GLY CA C 37 45.268 46.475 -1.207 1
1 366 . 18 1 1 A 37 37 GLY HA3 H 37 3.998 3.895 0.103 1
1 367 . 18 1 1 A 37 37 GLY C C 37 174.043 174.964 -0.921 1
1 368 . 18 1 1 A 37 37 GLY HA2 H 37 3.954 3.887 0.067 1
1 369 . 18 1 1 A 38 38 GLU N N 38 119.932 121.303 -1.371 1
1 370 . 18 1 1 A 38 38 GLU H H 38 8.057 7.926 0.131 1
1 371 . 18 1 1 A 38 38 GLU CA C 38 56.397 58.763 -2.366 1
1 372 . 18 1 1 A 38 38 GLU HA H 38 4.284 4.122 0.162 1
1 373 . 18 1 1 A 38 38 GLU CB C 38 30.566 30.121 0.445 1
1 377 . 18 1 1 A 38 38 GLU C C 38 176.062 176.989 -0.927 1
1 380 . 18 1 1 A 39 39 ASN N N 39 120.263 116.040 4.223 1
1 381 . 18 1 1 A 39 39 ASN H H 39 8.524 8.099 0.425 1
1 382 . 18 1 1 A 39 39 ASN CA C 39 51.432 50.600 0.832 1
1 383 . 18 1 1 A 39 39 ASN HA H 39 4.986 5.105 -0.119 1
1 384 . 18 1 1 A 39 39 ASN CB C 39 39.023 39.346 -0.323 1
1 389 . 18 1 1 A 39 39 ASN C C 39 173.352 173.206 0.146 1
1 391 . 18 1 1 A 40 40 PRO CA C 40 63.132 62.300 0.832 1
1 392 . 18 1 1 A 40 40 PRO HA H 40 4.437 4.676 -0.239 1
1 393 . 18 1 1 A 40 40 PRO CB C 40 32.192 29.431 2.761 1
1 402 . 18 1 1 A 41 41 SER N N 41 116.490 119.179 -2.689 1
1 403 . 18 1 1 A 41 41 SER H H 41 8.541 8.147 0.394 1
1 404 . 18 1 1 A 41 41 SER CA C 41 58.569 60.467 -1.898 1
1 405 . 18 1 1 A 41 41 SER CB C 41 64.089 62.892 1.197 1
1 406 . 18 1 1 A 42 42 GLY HA2 H 42 4.122 4.190 -0.068 1
1 407 . 18 1 1 A 43 43 PRO CA C 43 63.258 63.598 -0.340 1
1 408 . 18 1 1 A 43 43 PRO HA H 43 4.490 4.535 -0.045 1
1 409 . 18 1 1 A 43 43 PRO CB C 43 32.196 31.798 0.398 1
1 418 . 18 1 1 A 44 44 SER N N 44 115.698 115.859 -0.161 1
1 419 . 18 1 1 A 44 44 SER H H 44 8.413 7.819 0.594 1
1 420 . 18 1 1 A 44 44 SER CA C 44 58.408 58.868 -0.460 1
1 421 . 18 1 1 A 44 44 SER HA H 44 4.489 4.276 0.213 1
1 422 . 18 1 1 A 44 44 SER CB C 44 63.941 63.874 0.067 1
1 424 . 18 1 1 A 45 45 SER CA C 45 58.456 57.516 0.940 1
1 425 . 18 1 1 A 45 45 SER HA H 45 4.490 4.461 0.029 1
1 426 . 18 1 1 A 45 45 SER CB C 45 64.115 62.654 1.461 1
1 428 . 18 1 1 A 45 45 SER C C 45 173.910 174.266 -0.356 1
1 3 . 19 1 1 A 7 7 GLY CA C 7 45.395 45.017 0.378 1
1 4 . 19 1 1 A 7 7 GLY HA3 H 7 4.028 4.182 -0.154 1
1 5 . 19 1 1 A 7 7 GLY C C 7 174.345 174.793 -0.448 1
1 6 . 19 1 1 A 7 7 GLY HA2 H 7 4.028 4.180 -0.152 1
1 7 . 19 1 1 A 8 8 THR N N 8 114.076 115.483 -1.407 1
1 8 . 19 1 1 A 8 8 THR H H 8 8.041 8.663 -0.622 1
1 9 . 19 1 1 A 8 8 THR CA C 8 61.746 62.627 -0.881 1
1 10 . 19 1 1 A 8 8 THR HA H 8 4.321 4.523 -0.202 1
1 11 . 19 1 1 A 8 8 THR CB C 8 69.981 70.144 -0.163 1
1 17 . 19 1 1 A 8 8 THR C C 8 174.522 175.183 -0.661 1
1 18 . 19 1 1 A 9 9 LYS N N 9 123.558 121.418 2.140 1
1 19 . 19 1 1 A 9 9 LYS H H 9 8.347 8.068 0.279 1
1 20 . 19 1 1 A 9 9 LYS CA C 9 56.456 57.151 -0.695 1
1 21 . 19 1 1 A 9 9 LYS HA H 9 4.243 3.939 0.304 1
1 22 . 19 1 1 A 9 9 LYS CB C 9 32.910 31.007 1.903 1
1 29 . 19 1 1 A 9 9 LYS C C 9 176.303 176.529 -0.226 1
1 34 . 19 1 1 A 10 10 GLU N N 10 121.405 117.211 4.194 1
1 35 . 19 1 1 A 10 10 GLU H H 10 8.292 8.311 -0.019 1
1 36 . 19 1 1 A 10 10 GLU CA C 10 56.554 58.013 -1.459 1
1 37 . 19 1 1 A 10 10 GLU HA H 10 4.132 4.177 -0.045 1
1 38 . 19 1 1 A 10 10 GLU CB C 10 30.305 30.440 -0.135 1
1 42 . 19 1 1 A 10 10 GLU C C 10 176.024 176.477 -0.453 1
1 45 . 19 1 1 A 11 11 HIS N N 11 121.270 116.101 5.169 1
1 46 . 19 1 1 A 11 11 HIS H H 11 8.258 7.632 0.626 1
1 47 . 19 1 1 A 11 11 HIS CA C 11 53.734 54.062 -0.328 1
1 48 . 19 1 1 A 11 11 HIS HA H 11 4.831 4.963 -0.132 1
1 49 . 19 1 1 A 11 11 HIS CB C 11 31.178 33.612 -2.434 1
1 55 . 19 1 1 A 11 11 HIS C C 11 174.107 174.576 -0.469 1
1 57 . 19 1 1 A 12 12 PRO CA C 12 63.651 64.093 -0.442 1
1 58 . 19 1 1 A 12 12 PRO HA H 12 4.301 4.238 0.063 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.098 31.406 0.692 1
1 65 . 19 1 1 A 12 12 PRO C C 12 176.381 176.071 0.310 1
1 69 . 19 1 1 A 13 13 PHE N N 13 116.995 118.432 -1.437 1
1 70 . 19 1 1 A 13 13 PHE H H 13 7.836 7.623 0.213 1
1 71 . 19 1 1 A 13 13 PHE CA C 13 57.114 56.471 0.643 1
1 72 . 19 1 1 A 13 13 PHE HA H 13 4.804 5.151 -0.347 1
1 73 . 19 1 1 A 13 13 PHE CB C 13 39.642 40.472 -0.830 1
1 85 . 19 1 1 A 13 13 PHE C C 13 174.042 174.230 -0.188 1
1 87 . 19 1 1 A 14 14 LYS N N 14 124.716 124.975 -0.259 1
1 88 . 19 1 1 A 14 14 LYS H H 14 8.671 9.100 -0.429 1
1 89 . 19 1 1 A 14 14 LYS CA C 14 55.018 54.791 0.227 1
1 90 . 19 1 1 A 14 14 LYS HA H 14 4.973 5.493 -0.520 1
1 91 . 19 1 1 A 14 14 LYS CB C 14 36.127 35.038 1.089 1
1 99 . 19 1 1 A 14 14 LYS C C 14 174.476 175.769 -1.293 1
1 104 . 19 1 1 A 15 15 CYS N N 15 127.379 125.779 1.600 1
1 105 . 19 1 1 A 15 15 CYS H H 15 9.267 9.367 -0.100 1
1 106 . 19 1 1 A 15 15 CYS CA C 15 59.230 60.128 -0.898 1
1 107 . 19 1 1 A 15 15 CYS HA H 15 4.592 4.638 -0.046 1
1 108 . 19 1 1 A 15 15 CYS CB C 15 29.614 28.808 0.806 1
1 110 . 19 1 1 A 15 15 CYS C C 15 176.798 176.239 0.559 1
1 112 . 19 1 1 A 16 16 ASN N N 16 130.287 126.742 3.545 1
1 113 . 19 1 1 A 16 16 ASN H H 16 9.447 8.897 0.550 1
1 114 . 19 1 1 A 16 16 ASN CA C 16 55.588 55.504 0.084 1
1 115 . 19 1 1 A 16 16 ASN HA H 16 4.548 4.609 -0.061 1
1 116 . 19 1 1 A 16 16 ASN CB C 16 38.414 38.169 0.245 1
1 121 . 19 1 1 A 16 16 ASN C C 16 175.463 177.521 -2.058 1
1 123 . 19 1 1 A 17 17 GLU N N 17 120.826 119.519 1.307 1
1 124 . 19 1 1 A 17 17 GLU H H 17 8.704 8.223 0.481 1
1 125 . 19 1 1 A 17 17 GLU CA C 17 58.511 58.801 -0.290 1
1 126 . 19 1 1 A 17 17 GLU HA H 17 4.227 3.918 0.309 1
1 127 . 19 1 1 A 17 17 GLU CB C 17 29.478 28.820 0.658 1
1 131 . 19 1 1 A 17 17 GLU C C 17 177.096 178.251 -1.155 1
1 134 . 19 1 1 A 18 18 CYS N N 18 114.551 114.835 -0.284 1
1 135 . 19 1 1 A 18 18 CYS H H 18 7.945 8.012 -0.067 1
1 136 . 19 1 1 A 18 18 CYS CA C 18 58.357 59.393 -1.036 1
1 137 . 19 1 1 A 18 18 CYS HA H 18 5.196 4.732 0.464 1
1 138 . 19 1 1 A 18 18 CYS CB C 18 32.462 30.263 2.199 1
1 140 . 19 1 1 A 18 18 CYS C C 18 176.232 175.678 0.554 1
1 142 . 19 1 1 A 19 19 GLY N N 19 113.587 110.273 3.314 1
1 143 . 19 1 1 A 19 19 GLY H H 19 8.233 8.322 -0.089 1
1 144 . 19 1 1 A 19 19 GLY CA C 19 46.310 45.086 1.224 1
1 145 . 19 1 1 A 19 19 GLY HA3 H 19 4.284 4.090 0.194 1
1 146 . 19 1 1 A 19 19 GLY C C 19 173.663 174.433 -0.770 1
1 147 . 19 1 1 A 19 19 GLY HA2 H 19 3.758 4.076 -0.318 1
1 148 . 19 1 1 A 20 20 LYS N N 20 122.684 120.400 2.284 1
1 149 . 19 1 1 A 20 20 LYS H H 20 7.972 7.379 0.593 1
1 150 . 19 1 1 A 20 20 LYS CA C 20 58.156 56.564 1.592 1
1 151 . 19 1 1 A 20 20 LYS HA H 20 4.078 4.212 -0.134 1
1 152 . 19 1 1 A 20 20 LYS CB C 20 33.727 33.672 0.055 1
1 160 . 19 1 1 A 20 20 LYS C C 20 174.656 175.495 -0.839 1
1 165 . 19 1 1 A 21 21 THR N N 21 110.579 111.532 -0.953 1
1 166 . 19 1 1 A 21 21 THR H H 21 7.609 8.432 -0.823 1
1 167 . 19 1 1 A 21 21 THR CA C 21 59.691 59.536 0.155 1
1 168 . 19 1 1 A 21 21 THR HA H 21 5.205 5.524 -0.319 1
1 169 . 19 1 1 A 21 21 THR CB C 21 71.137 71.681 -0.544 1
1 175 . 19 1 1 A 21 21 THR C C 21 173.496 173.331 0.165 1
1 176 . 19 1 1 A 22 22 PHE N N 22 116.127 119.175 -3.048 1
1 177 . 19 1 1 A 22 22 PHE H H 22 8.683 9.225 -0.542 1
1 178 . 19 1 1 A 22 22 PHE CA C 22 56.997 56.722 0.275 1
1 179 . 19 1 1 A 22 22 PHE HA H 22 4.759 4.821 -0.062 1
1 180 . 19 1 1 A 22 22 PHE CB C 22 44.522 43.569 0.953 1
1 192 . 19 1 1 A 22 22 PHE C C 22 175.274 175.610 -0.336 1
1 194 . 19 1 1 A 23 23 SER N N 23 115.350 115.986 -0.636 1
1 195 . 19 1 1 A 23 23 SER H H 23 9.509 8.672 0.837 1
1 196 . 19 1 1 A 23 23 SER CA C 23 60.097 59.202 0.895 1
1 197 . 19 1 1 A 23 23 SER HA H 23 4.455 4.183 0.272 1
1 198 . 19 1 1 A 23 23 SER CB C 23 64.104 63.328 0.776 1
1 201 . 19 1 1 A 24 24 HIS N N 24 117.610 120.129 -2.519 1
1 202 . 19 1 1 A 24 24 HIS H H 24 7.093 8.098 -1.005 1
1 203 . 19 1 1 A 24 24 HIS CA C 24 55.771 54.691 1.080 1
1 204 . 19 1 1 A 24 24 HIS HA H 24 4.570 5.209 -0.639 1
1 205 . 19 1 1 A 24 24 HIS CB C 24 33.304 33.602 -0.298 1
1 212 . 19 1 1 A 25 25 SER H H 25 7.251 8.400 -1.149 1
1 213 . 19 1 1 A 25 25 SER CA C 25 61.178 60.451 0.727 1
1 214 . 19 1 1 A 25 25 SER HA H 25 2.986 2.669 0.317 1
1 215 . 19 1 1 A 25 25 SER CB C 25 61.917 62.021 -0.104 1
1 218 . 19 1 1 A 26 26 ALA CA C 26 54.851 55.105 -0.254 1
1 219 . 19 1 1 A 26 26 ALA HA H 26 4.129 3.853 0.276 1
1 220 . 19 1 1 A 26 26 ALA CB C 26 18.182 18.354 -0.172 1
1 224 . 19 1 1 A 26 26 ALA C C 26 180.317 179.250 1.067 1
1 225 . 19 1 1 A 27 27 HIS N N 27 116.106 115.760 0.346 1
1 226 . 19 1 1 A 27 27 HIS H H 27 6.999 7.525 -0.526 1
1 227 . 19 1 1 A 27 27 HIS CA C 27 56.588 59.286 -2.698 1
1 228 . 19 1 1 A 27 27 HIS HA H 27 4.470 4.209 0.261 1
1 229 . 19 1 1 A 27 27 HIS CB C 27 31.665 29.721 1.944 1
1 235 . 19 1 1 A 27 27 HIS C C 27 178.498 176.997 1.501 1
1 237 . 19 1 1 A 28 28 LEU N N 28 121.252 120.575 0.677 1
1 238 . 19 1 1 A 28 28 LEU H H 28 6.954 7.653 -0.699 1
1 239 . 19 1 1 A 28 28 LEU CA C 28 57.761 57.819 -0.058 1
1 240 . 19 1 1 A 28 28 LEU HA H 28 3.160 2.890 0.270 1
1 241 . 19 1 1 A 28 28 LEU CB C 28 40.366 41.715 -1.349 1
1 253 . 19 1 1 A 28 28 LEU C C 28 177.469 178.106 -0.637 1
1 255 . 19 1 1 A 29 29 SER N N 29 114.613 114.100 0.513 1
1 256 . 19 1 1 A 29 29 SER H H 29 8.258 7.890 0.368 1
1 257 . 19 1 1 A 29 29 SER CA C 29 62.389 61.587 0.802 1
1 258 . 19 1 1 A 29 29 SER HA H 29 3.861 4.014 -0.153 1
1 259 . 19 1 1 A 29 29 SER CB C 29 62.209 62.899 -0.690 1
1 261 . 19 1 1 A 29 29 SER C C 29 176.889 177.166 -0.277 1
1 263 . 19 1 1 A 30 30 LYS N N 30 120.296 121.215 -0.919 1
1 264 . 19 1 1 A 30 30 LYS H H 30 7.420 7.484 -0.064 1
1 265 . 19 1 1 A 30 30 LYS CA C 30 58.898 58.855 0.043 1
1 266 . 19 1 1 A 30 30 LYS HA H 30 4.064 3.970 0.094 1
1 267 . 19 1 1 A 30 30 LYS CB C 30 32.454 32.052 0.402 1
1 275 . 19 1 1 A 30 30 LYS C C 30 178.850 178.720 0.130 1
1 280 . 19 1 1 A 31 31 HIS N N 31 119.097 119.629 -0.532 1
1 281 . 19 1 1 A 31 31 HIS H H 31 7.585 8.355 -0.770 1
1 282 . 19 1 1 A 31 31 HIS CA C 31 59.221 58.641 0.580 1
1 283 . 19 1 1 A 31 31 HIS HA H 31 4.186 4.152 0.034 1
1 284 . 19 1 1 A 31 31 HIS CB C 31 28.480 30.350 -1.870 1
1 290 . 19 1 1 A 31 31 HIS C C 31 176.309 176.941 -0.632 1
1 292 . 19 1 1 A 32 32 GLN N N 32 115.041 118.080 -3.039 1
1 293 . 19 1 1 A 32 32 GLN H H 32 8.315 8.022 0.293 1
1 294 . 19 1 1 A 32 32 GLN CA C 32 59.416 58.611 0.805 1
1 295 . 19 1 1 A 32 32 GLN HA H 32 3.715 4.155 -0.440 1
1 296 . 19 1 1 A 32 32 GLN CB C 32 28.247 28.403 -0.156 1
1 303 . 19 1 1 A 32 32 GLN C C 32 177.758 179.067 -1.309 1
1 306 . 19 1 1 A 33 33 LEU N N 33 118.894 120.321 -1.427 1
1 307 . 19 1 1 A 33 33 LEU H H 33 7.181 7.550 -0.369 1
1 308 . 19 1 1 A 33 33 LEU CA C 33 57.476 57.782 -0.306 1
1 309 . 19 1 1 A 33 33 LEU HA H 33 4.056 4.046 0.010 1
1 310 . 19 1 1 A 33 33 LEU CB C 33 41.570 41.270 0.300 1
1 322 . 19 1 1 A 33 33 LEU C C 33 179.710 179.183 0.527 1
1 324 . 19 1 1 A 34 34 ILE N N 34 116.556 115.118 1.438 1
1 325 . 19 1 1 A 34 34 ILE H H 34 7.824 7.586 0.238 1
1 326 . 19 1 1 A 34 34 ILE CA C 34 63.328 63.956 -0.628 1
1 327 . 19 1 1 A 34 34 ILE HA H 34 3.939 3.805 0.134 1
1 328 . 19 1 1 A 34 34 ILE CB C 34 37.595 36.846 0.749 1
1 340 . 19 1 1 A 34 34 ILE C C 34 177.765 177.826 -0.061 1
1 342 . 19 1 1 A 35 35 HIS N N 35 117.319 119.897 -2.578 1
1 343 . 19 1 1 A 35 35 HIS H H 35 7.053 7.686 -0.633 1
1 344 . 19 1 1 A 35 35 HIS CA C 35 55.162 59.572 -4.410 1
1 345 . 19 1 1 A 35 35 HIS HA H 35 4.793 4.266 0.527 1
1 346 . 19 1 1 A 35 35 HIS CB C 35 28.486 30.668 -2.182 1
1 352 . 19 1 1 A 35 35 HIS C C 35 175.328 175.754 -0.426 1
1 354 . 19 1 1 A 36 36 ALA N N 36 122.453 120.980 1.473 1
1 355 . 19 1 1 A 36 36 ALA H H 36 7.546 7.253 0.293 1
1 356 . 19 1 1 A 36 36 ALA CA C 36 53.295 51.925 1.370 1
1 357 . 19 1 1 A 36 36 ALA HA H 36 4.340 4.257 0.083 1
1 358 . 19 1 1 A 36 36 ALA CB C 36 19.226 20.254 -1.028 1
1 362 . 19 1 1 A 36 36 ALA C C 36 178.109 177.925 0.184 1
1 363 . 19 1 1 A 37 37 GLY N N 37 107.129 108.979 -1.850 1
1 364 . 19 1 1 A 37 37 GLY H H 37 8.129 8.704 -0.575 1
1 365 . 19 1 1 A 37 37 GLY CA C 37 45.268 46.449 -1.181 1
1 366 . 19 1 1 A 37 37 GLY HA3 H 37 3.998 3.874 0.124 1
1 367 . 19 1 1 A 37 37 GLY C C 37 174.043 173.510 0.533 1
1 368 . 19 1 1 A 37 37 GLY HA2 H 37 3.954 3.869 0.085 1
1 369 . 19 1 1 A 38 38 GLU N N 38 119.932 115.604 4.328 1
1 370 . 19 1 1 A 38 38 GLU H H 38 8.057 7.552 0.505 1
1 371 . 19 1 1 A 38 38 GLU CA C 38 56.397 55.065 1.332 1
1 372 . 19 1 1 A 38 38 GLU HA H 38 4.284 4.906 -0.622 1
1 373 . 19 1 1 A 38 38 GLU CB C 38 30.566 33.043 -2.477 1
1 377 . 19 1 1 A 38 38 GLU C C 38 176.062 174.597 1.465 1
1 380 . 19 1 1 A 39 39 ASN N N 39 120.263 119.994 0.269 1
1 381 . 19 1 1 A 39 39 ASN H H 39 8.524 8.772 -0.248 1
1 382 . 19 1 1 A 39 39 ASN CA C 39 51.432 50.979 0.453 1
1 383 . 19 1 1 A 39 39 ASN HA H 39 4.986 5.028 -0.042 1
1 384 . 19 1 1 A 39 39 ASN CB C 39 39.023 41.472 -2.449 1
1 389 . 19 1 1 A 39 39 ASN C C 39 173.352 174.998 -1.646 1
1 391 . 19 1 1 A 40 40 PRO CA C 40 63.132 64.122 -0.990 1
1 392 . 19 1 1 A 40 40 PRO HA H 40 4.437 4.510 -0.073 1
1 393 . 19 1 1 A 40 40 PRO CB C 40 32.192 31.698 0.494 1
1 402 . 19 1 1 A 41 41 SER N N 41 116.490 112.994 3.496 1
1 403 . 19 1 1 A 41 41 SER H H 41 8.541 7.721 0.820 1
1 404 . 19 1 1 A 41 41 SER CA C 41 58.569 56.495 2.074 1
1 405 . 19 1 1 A 41 41 SER CB C 41 64.089 65.197 -1.108 1
1 406 . 19 1 1 A 42 42 GLY HA2 H 42 4.122 4.037 0.085 1
1 407 . 19 1 1 A 43 43 PRO CA C 43 63.258 62.362 0.896 1
1 408 . 19 1 1 A 43 43 PRO HA H 43 4.490 4.683 -0.193 1
1 409 . 19 1 1 A 43 43 PRO CB C 43 32.196 29.605 2.591 1
1 418 . 19 1 1 A 44 44 SER N N 44 115.698 118.854 -3.156 1
1 419 . 19 1 1 A 44 44 SER H H 44 8.413 8.310 0.103 1
1 420 . 19 1 1 A 44 44 SER CA C 44 58.408 57.883 0.525 1
1 421 . 19 1 1 A 44 44 SER HA H 44 4.489 4.706 -0.217 1
1 422 . 19 1 1 A 44 44 SER CB C 44 63.941 63.765 0.176 1
1 424 . 19 1 1 A 45 45 SER CA C 45 58.456 59.917 -1.461 1
1 425 . 19 1 1 A 45 45 SER HA H 45 4.490 4.148 0.342 1
1 426 . 19 1 1 A 45 45 SER CB C 45 64.115 64.273 -0.158 1
1 428 . 19 1 1 A 45 45 SER C C 45 173.910 175.705 -1.795 1
1 3 . 20 1 1 A 7 7 GLY CA C 7 45.395 43.837 1.558 1
1 4 . 20 1 1 A 7 7 GLY HA3 H 7 4.028 4.199 -0.171 1
1 5 . 20 1 1 A 7 7 GLY C C 7 174.345 172.830 1.515 1
1 6 . 20 1 1 A 7 7 GLY HA2 H 7 4.028 4.199 -0.171 1
1 7 . 20 1 1 A 8 8 THR N N 8 114.076 111.410 2.666 1
1 8 . 20 1 1 A 8 8 THR H H 8 8.041 8.391 -0.350 1
1 9 . 20 1 1 A 8 8 THR CA C 8 61.746 60.768 0.978 1
1 10 . 20 1 1 A 8 8 THR HA H 8 4.321 5.289 -0.968 1
1 11 . 20 1 1 A 8 8 THR CB C 8 69.981 70.460 -0.479 1
1 17 . 20 1 1 A 8 8 THR C C 8 174.522 173.756 0.766 1
1 18 . 20 1 1 A 9 9 LYS N N 9 123.558 122.719 0.839 1
1 19 . 20 1 1 A 9 9 LYS H H 9 8.347 8.465 -0.118 1
1 20 . 20 1 1 A 9 9 LYS CA C 9 56.456 55.199 1.257 1
1 21 . 20 1 1 A 9 9 LYS HA H 9 4.243 4.863 -0.620 1
1 22 . 20 1 1 A 9 9 LYS CB C 9 32.910 35.811 -2.901 1
1 29 . 20 1 1 A 9 9 LYS C C 9 176.303 175.320 0.983 1
1 34 . 20 1 1 A 10 10 GLU N N 10 121.405 117.860 3.545 1
1 35 . 20 1 1 A 10 10 GLU H H 10 8.292 8.330 -0.038 1
1 36 . 20 1 1 A 10 10 GLU CA C 10 56.554 55.509 1.045 1
1 37 . 20 1 1 A 10 10 GLU HA H 10 4.132 4.718 -0.586 1
1 38 . 20 1 1 A 10 10 GLU CB C 10 30.305 30.397 -0.092 1
1 42 . 20 1 1 A 10 10 GLU C C 10 176.024 176.143 -0.119 1
1 45 . 20 1 1 A 11 11 HIS N N 11 121.270 118.383 2.887 1
1 46 . 20 1 1 A 11 11 HIS H H 11 8.258 7.627 0.631 1
1 47 . 20 1 1 A 11 11 HIS CA C 11 53.734 54.063 -0.329 1
1 48 . 20 1 1 A 11 11 HIS HA H 11 4.831 4.856 -0.025 1
1 49 . 20 1 1 A 11 11 HIS CB C 11 31.178 30.908 0.270 1
1 55 . 20 1 1 A 11 11 HIS C C 11 174.107 175.150 -1.043 1
1 57 . 20 1 1 A 12 12 PRO CA C 12 63.651 64.011 -0.360 1
1 58 . 20 1 1 A 12 12 PRO HA H 12 4.301 4.168 0.133 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.098 31.225 0.873 1
1 65 . 20 1 1 A 12 12 PRO C C 12 176.381 175.889 0.492 1
1 69 . 20 1 1 A 13 13 PHE N N 13 116.995 118.190 -1.195 1
1 70 . 20 1 1 A 13 13 PHE H H 13 7.836 7.584 0.252 1
1 71 . 20 1 1 A 13 13 PHE CA C 13 57.114 56.712 0.402 1
1 72 . 20 1 1 A 13 13 PHE HA H 13 4.804 5.348 -0.544 1
1 73 . 20 1 1 A 13 13 PHE CB C 13 39.642 42.337 -2.695 1
1 85 . 20 1 1 A 13 13 PHE C C 13 174.042 174.075 -0.033 1
1 87 . 20 1 1 A 14 14 LYS N N 14 124.716 123.567 1.149 1
1 88 . 20 1 1 A 14 14 LYS H H 14 8.671 9.054 -0.383 1
1 89 . 20 1 1 A 14 14 LYS CA C 14 55.018 54.763 0.255 1
1 90 . 20 1 1 A 14 14 LYS HA H 14 4.973 5.453 -0.480 1
1 91 . 20 1 1 A 14 14 LYS CB C 14 36.127 36.472 -0.345 1
1 99 . 20 1 1 A 14 14 LYS C C 14 174.476 175.569 -1.093 1
1 104 . 20 1 1 A 15 15 CYS N N 15 127.379 125.219 2.160 1
1 105 . 20 1 1 A 15 15 CYS H H 15 9.267 9.270 -0.003 1
1 106 . 20 1 1 A 15 15 CYS CA C 15 59.230 59.992 -0.762 1
1 107 . 20 1 1 A 15 15 CYS HA H 15 4.592 4.585 0.007 1
1 108 . 20 1 1 A 15 15 CYS CB C 15 29.614 28.991 0.623 1
1 110 . 20 1 1 A 15 15 CYS C C 15 176.798 176.332 0.466 1
1 112 . 20 1 1 A 16 16 ASN N N 16 130.287 127.737 2.550 1
1 113 . 20 1 1 A 16 16 ASN H H 16 9.447 9.436 0.011 1
1 114 . 20 1 1 A 16 16 ASN CA C 16 55.588 54.902 0.686 1
1 115 . 20 1 1 A 16 16 ASN HA H 16 4.548 4.662 -0.114 1
1 116 . 20 1 1 A 16 16 ASN CB C 16 38.414 38.496 -0.082 1
1 121 . 20 1 1 A 16 16 ASN C C 16 175.463 177.027 -1.564 1
1 123 . 20 1 1 A 17 17 GLU N N 17 120.826 118.142 2.684 1
1 124 . 20 1 1 A 17 17 GLU H H 17 8.704 8.083 0.621 1
1 125 . 20 1 1 A 17 17 GLU CA C 17 58.511 59.265 -0.754 1
1 126 . 20 1 1 A 17 17 GLU HA H 17 4.227 3.994 0.233 1
1 127 . 20 1 1 A 17 17 GLU CB C 17 29.478 29.570 -0.092 1
1 131 . 20 1 1 A 17 17 GLU C C 17 177.096 177.804 -0.708 1
1 134 . 20 1 1 A 18 18 CYS N N 18 114.551 114.823 -0.272 1
1 135 . 20 1 1 A 18 18 CYS H H 18 7.945 7.855 0.090 1
1 136 . 20 1 1 A 18 18 CYS CA C 18 58.357 59.531 -1.174 1
1 137 . 20 1 1 A 18 18 CYS HA H 18 5.196 4.714 0.482 1
1 138 . 20 1 1 A 18 18 CYS CB C 18 32.462 30.459 2.003 1
1 140 . 20 1 1 A 18 18 CYS C C 18 176.232 175.739 0.493 1
1 142 . 20 1 1 A 19 19 GLY N N 19 113.587 109.939 3.648 1
1 143 . 20 1 1 A 19 19 GLY H H 19 8.233 7.981 0.252 1
1 144 . 20 1 1 A 19 19 GLY CA C 19 46.310 45.037 1.273 1
1 145 . 20 1 1 A 19 19 GLY HA3 H 19 4.284 4.093 0.191 1
1 146 . 20 1 1 A 19 19 GLY C C 19 173.663 174.736 -1.073 1
1 147 . 20 1 1 A 19 19 GLY HA2 H 19 3.758 4.079 -0.321 1
1 148 . 20 1 1 A 20 20 LYS N N 20 122.684 120.242 2.442 1
1 149 . 20 1 1 A 20 20 LYS H H 20 7.972 7.408 0.564 1
1 150 . 20 1 1 A 20 20 LYS CA C 20 58.156 56.375 1.781 1
1 151 . 20 1 1 A 20 20 LYS HA H 20 4.078 4.289 -0.211 1
1 152 . 20 1 1 A 20 20 LYS CB C 20 33.727 34.195 -0.468 1
1 160 . 20 1 1 A 20 20 LYS C C 20 174.656 175.490 -0.834 1
1 165 . 20 1 1 A 21 21 THR N N 21 110.579 111.372 -0.793 1
1 166 . 20 1 1 A 21 21 THR H H 21 7.609 8.271 -0.662 1
1 167 . 20 1 1 A 21 21 THR CA C 21 59.691 60.133 -0.442 1
1 168 . 20 1 1 A 21 21 THR HA H 21 5.205 5.452 -0.247 1
1 169 . 20 1 1 A 21 21 THR CB C 21 71.137 71.572 -0.435 1
1 175 . 20 1 1 A 21 21 THR C C 21 173.496 173.224 0.272 1
1 176 . 20 1 1 A 22 22 PHE N N 22 116.127 119.468 -3.341 1
1 177 . 20 1 1 A 22 22 PHE H H 22 8.683 9.138 -0.455 1
1 178 . 20 1 1 A 22 22 PHE CA C 22 56.997 57.038 -0.041 1
1 179 . 20 1 1 A 22 22 PHE HA H 22 4.759 4.979 -0.220 1
1 180 . 20 1 1 A 22 22 PHE CB C 22 44.522 42.752 1.770 1
1 192 . 20 1 1 A 22 22 PHE C C 22 175.274 176.193 -0.919 1
1 194 . 20 1 1 A 23 23 SER N N 23 115.350 117.923 -2.573 1
1 195 . 20 1 1 A 23 23 SER H H 23 9.509 8.752 0.757 1
1 196 . 20 1 1 A 23 23 SER CA C 23 60.097 61.835 -1.738 1
1 197 . 20 1 1 A 23 23 SER HA H 23 4.455 4.136 0.319 1
1 198 . 20 1 1 A 23 23 SER CB C 23 64.104 62.780 1.324 1
1 201 . 20 1 1 A 24 24 HIS N N 24 117.610 118.642 -1.032 1
1 202 . 20 1 1 A 24 24 HIS H H 24 7.093 8.505 -1.412 1
1 203 . 20 1 1 A 24 24 HIS CA C 24 55.771 55.584 0.187 1
1 204 . 20 1 1 A 24 24 HIS HA H 24 4.570 5.058 -0.488 1
1 205 . 20 1 1 A 24 24 HIS CB C 24 33.304 32.122 1.182 1
1 212 . 20 1 1 A 25 25 SER H H 25 7.251 8.548 -1.297 1
1 213 . 20 1 1 A 25 25 SER CA C 25 61.178 60.729 0.449 1
1 214 . 20 1 1 A 25 25 SER HA H 25 2.986 2.932 0.054 1
1 215 . 20 1 1 A 25 25 SER CB C 25 61.917 62.130 -0.213 1
1 218 . 20 1 1 A 26 26 ALA CA C 26 54.851 55.163 -0.312 1
1 219 . 20 1 1 A 26 26 ALA HA H 26 4.129 3.896 0.233 1
1 220 . 20 1 1 A 26 26 ALA CB C 26 18.182 18.362 -0.180 1
1 224 . 20 1 1 A 26 26 ALA C C 26 180.317 179.394 0.923 1
1 225 . 20 1 1 A 27 27 HIS N N 27 116.106 115.950 0.156 1
1 226 . 20 1 1 A 27 27 HIS H H 27 6.999 7.645 -0.646 1
1 227 . 20 1 1 A 27 27 HIS CA C 27 56.588 59.280 -2.692 1
1 228 . 20 1 1 A 27 27 HIS HA H 27 4.470 4.261 0.209 1
1 229 . 20 1 1 A 27 27 HIS CB C 27 31.665 29.987 1.678 1
1 235 . 20 1 1 A 27 27 HIS C C 27 178.498 177.251 1.247 1
1 237 . 20 1 1 A 28 28 LEU N N 28 121.252 120.726 0.526 1
1 238 . 20 1 1 A 28 28 LEU H H 28 6.954 7.816 -0.862 1
1 239 . 20 1 1 A 28 28 LEU CA C 28 57.761 57.854 -0.093 1
1 240 . 20 1 1 A 28 28 LEU HA H 28 3.160 3.004 0.156 1
1 241 . 20 1 1 A 28 28 LEU CB C 28 40.366 41.647 -1.281 1
1 253 . 20 1 1 A 28 28 LEU C C 28 177.469 178.222 -0.753 1
1 255 . 20 1 1 A 29 29 SER N N 29 114.613 113.441 1.172 1
1 256 . 20 1 1 A 29 29 SER H H 29 8.258 8.229 0.029 1
1 257 . 20 1 1 A 29 29 SER CA C 29 62.389 61.480 0.909 1
1 258 . 20 1 1 A 29 29 SER HA H 29 3.861 4.163 -0.302 1
1 259 . 20 1 1 A 29 29 SER CB C 29 62.209 62.359 -0.150 1
1 261 . 20 1 1 A 29 29 SER C C 29 176.889 176.696 0.193 1
1 263 . 20 1 1 A 30 30 LYS N N 30 120.296 121.825 -1.529 1
1 264 . 20 1 1 A 30 30 LYS H H 30 7.420 7.333 0.087 1
1 265 . 20 1 1 A 30 30 LYS CA C 30 58.898 58.826 0.072 1
1 266 . 20 1 1 A 30 30 LYS HA H 30 4.064 4.115 -0.051 1
1 267 . 20 1 1 A 30 30 LYS CB C 30 32.454 32.310 0.144 1
1 275 . 20 1 1 A 30 30 LYS C C 30 178.850 178.674 0.176 1
1 280 . 20 1 1 A 31 31 HIS N N 31 119.097 119.926 -0.829 1
1 281 . 20 1 1 A 31 31 HIS H H 31 7.585 8.437 -0.852 1
1 282 . 20 1 1 A 31 31 HIS CA C 31 59.221 58.623 0.598 1
1 283 . 20 1 1 A 31 31 HIS HA H 31 4.186 4.161 0.025 1
1 284 . 20 1 1 A 31 31 HIS CB C 31 28.480 30.314 -1.834 1
1 290 . 20 1 1 A 31 31 HIS C C 31 176.309 176.976 -0.667 1
1 292 . 20 1 1 A 32 32 GLN N N 32 115.041 118.080 -3.039 1
1 293 . 20 1 1 A 32 32 GLN H H 32 8.315 7.875 0.440 1
1 294 . 20 1 1 A 32 32 GLN CA C 32 59.416 58.563 0.853 1
1 295 . 20 1 1 A 32 32 GLN HA H 32 3.715 4.277 -0.562 1
1 296 . 20 1 1 A 32 32 GLN CB C 32 28.247 28.326 -0.079 1
1 303 . 20 1 1 A 32 32 GLN C C 32 177.758 179.132 -1.374 1
1 306 . 20 1 1 A 33 33 LEU N N 33 118.894 120.322 -1.428 1
1 307 . 20 1 1 A 33 33 LEU H H 33 7.181 7.990 -0.809 1
1 308 . 20 1 1 A 33 33 LEU CA C 33 57.476 57.809 -0.333 1
1 309 . 20 1 1 A 33 33 LEU HA H 33 4.056 4.041 0.015 1
1 310 . 20 1 1 A 33 33 LEU CB C 33 41.570 41.135 0.435 1
1 322 . 20 1 1 A 33 33 LEU C C 33 179.710 179.226 0.484 1
1 324 . 20 1 1 A 34 34 ILE N N 34 116.556 115.131 1.425 1
1 325 . 20 1 1 A 34 34 ILE H H 34 7.824 7.609 0.215 1
1 326 . 20 1 1 A 34 34 ILE CA C 34 63.328 64.156 -0.828 1
1 327 . 20 1 1 A 34 34 ILE HA H 34 3.939 3.786 0.153 1
1 328 . 20 1 1 A 34 34 ILE CB C 34 37.595 36.949 0.646 1
1 340 . 20 1 1 A 34 34 ILE C C 34 177.765 177.747 0.018 1
1 342 . 20 1 1 A 35 35 HIS N N 35 117.319 120.596 -3.277 1
1 343 . 20 1 1 A 35 35 HIS H H 35 7.053 7.779 -0.726 1
1 344 . 20 1 1 A 35 35 HIS CA C 35 55.162 59.413 -4.251 1
1 345 . 20 1 1 A 35 35 HIS HA H 35 4.793 4.223 0.570 1
1 346 . 20 1 1 A 35 35 HIS CB C 35 28.486 30.041 -1.555 1
1 352 . 20 1 1 A 35 35 HIS C C 35 175.328 176.060 -0.732 1
1 354 . 20 1 1 A 36 36 ALA N N 36 122.453 118.681 3.772 1
1 355 . 20 1 1 A 36 36 ALA H H 36 7.546 7.103 0.443 1
1 356 . 20 1 1 A 36 36 ALA CA C 36 53.295 51.748 1.547 1
1 357 . 20 1 1 A 36 36 ALA HA H 36 4.340 4.440 -0.100 1
1 358 . 20 1 1 A 36 36 ALA CB C 36 19.226 18.297 0.929 1
1 362 . 20 1 1 A 36 36 ALA C C 36 178.109 177.720 0.389 1
1 363 . 20 1 1 A 37 37 GLY N N 37 107.129 107.196 -0.067 1
1 364 . 20 1 1 A 37 37 GLY H H 37 8.129 8.164 -0.035 1
1 365 . 20 1 1 A 37 37 GLY CA C 37 45.268 46.043 -0.775 1
1 366 . 20 1 1 A 37 37 GLY HA3 H 37 3.998 3.988 0.010 1
1 367 . 20 1 1 A 37 37 GLY C C 37 174.043 174.119 -0.076 1
1 368 . 20 1 1 A 37 37 GLY HA2 H 37 3.954 3.983 -0.029 1
1 369 . 20 1 1 A 38 38 GLU N N 38 119.932 118.381 1.551 1
1 370 . 20 1 1 A 38 38 GLU H H 38 8.057 7.898 0.159 1
1 371 . 20 1 1 A 38 38 GLU CA C 38 56.397 54.851 1.546 1
1 372 . 20 1 1 A 38 38 GLU HA H 38 4.284 4.576 -0.292 1
1 373 . 20 1 1 A 38 38 GLU CB C 38 30.566 30.887 -0.321 1
1 377 . 20 1 1 A 38 38 GLU C C 38 176.062 175.316 0.746 1
1 380 . 20 1 1 A 39 39 ASN N N 39 120.263 117.603 2.660 1
1 381 . 20 1 1 A 39 39 ASN H H 39 8.524 8.684 -0.160 1
1 382 . 20 1 1 A 39 39 ASN CA C 39 51.432 49.201 2.231 1
1 383 . 20 1 1 A 39 39 ASN HA H 39 4.986 5.310 -0.324 1
1 384 . 20 1 1 A 39 39 ASN CB C 39 39.023 40.896 -1.873 1
1 389 . 20 1 1 A 39 39 ASN C C 39 173.352 174.875 -1.523 1
1 391 . 20 1 1 A 40 40 PRO CA C 40 63.132 63.860 -0.728 1
1 392 . 20 1 1 A 40 40 PRO HA H 40 4.437 4.503 -0.066 1
1 393 . 20 1 1 A 40 40 PRO CB C 40 32.192 31.736 0.456 1
1 402 . 20 1 1 A 41 41 SER N N 41 116.490 113.840 2.650 1
1 403 . 20 1 1 A 41 41 SER H H 41 8.541 7.800 0.741 1
1 404 . 20 1 1 A 41 41 SER CA C 41 58.569 58.400 0.169 1
1 405 . 20 1 1 A 41 41 SER CB C 41 64.089 63.214 0.875 1
1 406 . 20 1 1 A 42 42 GLY HA2 H 42 4.122 4.160 -0.038 1
1 407 . 20 1 1 A 43 43 PRO CA C 43 63.258 62.675 0.583 1
1 408 . 20 1 1 A 43 43 PRO HA H 43 4.490 4.635 -0.145 1
1 409 . 20 1 1 A 43 43 PRO CB C 43 32.196 32.826 -0.630 1
1 418 . 20 1 1 A 44 44 SER N N 44 115.698 115.388 0.310 1
1 419 . 20 1 1 A 44 44 SER H H 44 8.413 8.356 0.057 1
1 420 . 20 1 1 A 44 44 SER CA C 44 58.408 56.940 1.468 1
1 421 . 20 1 1 A 44 44 SER HA H 44 4.489 5.069 -0.580 1
1 422 . 20 1 1 A 44 44 SER CB C 44 63.941 64.244 -0.303 1
1 424 . 20 1 1 A 45 45 SER CA C 45 58.456 56.806 1.650 1
1 425 . 20 1 1 A 45 45 SER HA H 45 4.490 5.185 -0.695 1
1 426 . 20 1 1 A 45 45 SER CB C 45 64.115 65.434 -1.319 1
1 428 . 20 1 1 A 45 45 SER C C 45 173.910 173.833 0.077 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 31 0.801 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.233 1
3 1 1 1 "RMS(OBS, PRED)" CB 35 1.281 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.641 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.311 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.539 1
7 1 2 1 "RMS(OBS, PRED)" C 31 0.886 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.237 1
9 1 2 1 "RMS(OBS, PRED)" CB 35 1.320 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.636 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.278 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.432 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.927 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.366 1
15 1 3 1 "RMS(OBS, PRED)" CB 35 1.279 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.628 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.308 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.387 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.862 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.347 1
21 1 4 1 "RMS(OBS, PRED)" CB 35 1.409 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.596 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.297 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.270 1
25 1 5 1 "RMS(OBS, PRED)" C 31 0.861 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.359 1
27 1 5 1 "RMS(OBS, PRED)" CB 35 1.385 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.631 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.283 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.284 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.948 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.239 1
33 1 6 1 "RMS(OBS, PRED)" CB 35 1.247 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.637 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.328 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.656 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.762 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.350 1
39 1 7 1 "RMS(OBS, PRED)" CB 35 1.139 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.517 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.267 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.059 1
43 1 8 1 "RMS(OBS, PRED)" C 31 0.823 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.248 1
45 1 8 1 "RMS(OBS, PRED)" CB 35 1.289 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.591 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.294 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.525 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.765 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.344 1
51 1 9 1 "RMS(OBS, PRED)" CB 35 1.341 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.621 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.312 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.504 1
55 1 10 1 "RMS(OBS, PRED)" C 31 0.968 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.483 1
57 1 10 1 "RMS(OBS, PRED)" CB 35 1.050 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.618 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.298 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.812 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.804 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.301 1
63 1 11 1 "RMS(OBS, PRED)" CB 35 1.231 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.589 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.300 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.259 1
67 1 12 1 "RMS(OBS, PRED)" C 31 1.037 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.266 1
69 1 12 1 "RMS(OBS, PRED)" CB 35 1.163 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.615 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.304 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.402 1
73 1 13 1 "RMS(OBS, PRED)" C 31 1.097 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.367 1
75 1 13 1 "RMS(OBS, PRED)" CB 35 1.351 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.653 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.323 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.417 1
79 1 14 1 "RMS(OBS, PRED)" C 31 0.911 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.326 1
81 1 14 1 "RMS(OBS, PRED)" CB 35 1.163 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.553 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.306 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.737 1
85 1 15 1 "RMS(OBS, PRED)" C 31 0.982 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.294 1
87 1 15 1 "RMS(OBS, PRED)" CB 35 1.241 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.608 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.299 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.607 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.853 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.255 1
93 1 16 1 "RMS(OBS, PRED)" CB 35 1.384 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.607 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.300 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.767 1
97 1 17 1 "RMS(OBS, PRED)" C 31 0.887 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.564 1
99 1 17 1 "RMS(OBS, PRED)" CB 35 1.275 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.659 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.318 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.327 1
103 1 18 1 "RMS(OBS, PRED)" C 31 0.936 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.349 1
105 1 18 1 "RMS(OBS, PRED)" CB 35 1.323 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.609 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.301 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.343 1
109 1 19 1 "RMS(OBS, PRED)" C 31 0.920 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.225 1
111 1 19 1 "RMS(OBS, PRED)" CB 35 1.289 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.556 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.280 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.392 1
115 1 20 1 "RMS(OBS, PRED)" C 31 0.851 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.295 1
117 1 20 1 "RMS(OBS, PRED)" CB 35 1.171 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.583 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.358 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.223 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 3 . 1 1 A 7 7 GLY CA C 7 45.395 45.181 0.213 2
1 4 . 1 1 A 7 7 GLY HA3 H 7 4.028 4.098 -0.070 2
1 5 . 1 1 A 7 7 GLY C C 7 174.345 173.533 0.812 2
1 6 . 1 1 A 7 7 GLY HA2 H 7 4.028 4.094 -0.066 2
1 7 . 1 1 A 8 8 THR N N 8 114.076 115.104 -1.028 2
1 8 . 1 1 A 8 8 THR H H 8 8.041 8.456 -0.415 2
1 9 . 1 1 A 8 8 THR CA C 8 61.746 61.567 0.179 2
1 10 . 1 1 A 8 8 THR HA H 8 4.321 4.623 -0.302 2
1 11 . 1 1 A 8 8 THR CB C 8 69.981 69.932 0.049 2
1 17 . 1 1 A 8 8 THR C C 8 174.522 173.947 0.575 2
1 18 . 1 1 A 9 9 LYS N N 9 123.558 123.415 0.143 2
1 19 . 1 1 A 9 9 LYS H H 9 8.347 8.366 -0.019 2
1 20 . 1 1 A 9 9 LYS CA C 9 56.456 55.831 0.625 2
1 21 . 1 1 A 9 9 LYS HA H 9 4.243 4.422 -0.179 2
1 22 . 1 1 A 9 9 LYS CB C 9 32.910 32.722 0.188 2
1 29 . 1 1 A 9 9 LYS C C 9 176.303 175.874 0.429 2
1 34 . 1 1 A 10 10 GLU N N 10 121.405 121.788 -0.383 2
1 35 . 1 1 A 10 10 GLU H H 10 8.292 8.472 -0.180 2
1 36 . 1 1 A 10 10 GLU CA C 10 56.554 56.370 0.184 2
1 37 . 1 1 A 10 10 GLU HA H 10 4.132 4.574 -0.442 2
1 38 . 1 1 A 10 10 GLU CB C 10 30.305 31.494 -1.189 2
1 42 . 1 1 A 10 10 GLU C C 10 176.024 176.041 -0.017 2
1 45 . 1 1 A 11 11 HIS N N 11 121.270 118.507 2.763 2
1 46 . 1 1 A 11 11 HIS H H 11 8.258 8.088 0.170 2
1 47 . 1 1 A 11 11 HIS CA C 11 53.734 54.487 -0.753 2
1 48 . 1 1 A 11 11 HIS HA H 11 4.831 4.791 0.040 2
1 49 . 1 1 A 11 11 HIS CB C 11 31.178 30.933 0.245 2
1 55 . 1 1 A 11 11 HIS C C 11 174.107 175.115 -1.008 2
1 57 . 1 1 A 12 12 PRO CA C 12 63.651 64.122 -0.471 2
1 58 . 1 1 A 12 12 PRO HA H 12 4.301 4.213 0.088 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.098 31.279 0.819 2
1 65 . 1 1 A 12 12 PRO C C 12 176.381 175.980 0.401 2
1 69 . 1 1 A 13 13 PHE N N 13 116.995 118.380 -1.385 2
1 70 . 1 1 A 13 13 PHE H H 13 7.836 7.612 0.224 2
1 71 . 1 1 A 13 13 PHE CA C 13 57.114 56.700 0.413 2
1 72 . 1 1 A 13 13 PHE HA H 13 4.804 5.260 -0.456 2
1 73 . 1 1 A 13 13 PHE CB C 13 39.642 41.394 -1.752 2
1 85 . 1 1 A 13 13 PHE C C 13 174.042 174.185 -0.143 2
1 87 . 1 1 A 14 14 LYS N N 14 124.716 123.952 0.764 2
1 88 . 1 1 A 14 14 LYS H H 14 8.671 9.074 -0.403 2
1 89 . 1 1 A 14 14 LYS CA C 14 55.018 54.753 0.265 2
1 90 . 1 1 A 14 14 LYS HA H 14 4.973 5.456 -0.483 2
1 91 . 1 1 A 14 14 LYS CB C 14 36.127 36.148 -0.021 2
1 99 . 1 1 A 14 14 LYS C C 14 174.476 175.603 -1.127 2
1 104 . 1 1 A 15 15 CYS N N 15 127.379 125.217 2.162 2
1 105 . 1 1 A 15 15 CYS H H 15 9.267 9.310 -0.043 2
1 106 . 1 1 A 15 15 CYS CA C 15 59.230 60.117 -0.887 2
1 107 . 1 1 A 15 15 CYS HA H 15 4.592 4.583 0.009 2
1 108 . 1 1 A 15 15 CYS CB C 15 29.614 28.649 0.965 2
1 110 . 1 1 A 15 15 CYS C C 15 176.798 175.690 1.108 2
1 112 . 1 1 A 16 16 ASN N N 16 130.287 126.692 3.595 2
1 113 . 1 1 A 16 16 ASN H H 16 9.447 9.154 0.293 2
1 114 . 1 1 A 16 16 ASN CA C 16 55.588 54.416 1.172 2
1 115 . 1 1 A 16 16 ASN HA H 16 4.548 4.755 -0.207 2
1 116 . 1 1 A 16 16 ASN CB C 16 38.414 38.792 -0.378 2
1 121 . 1 1 A 16 16 ASN C C 16 175.463 176.710 -1.247 2
1 123 . 1 1 A 17 17 GLU N N 17 120.826 118.666 2.160 2
1 124 . 1 1 A 17 17 GLU H H 17 8.704 7.845 0.859 2
1 125 . 1 1 A 17 17 GLU CA C 17 58.511 58.722 -0.211 2
1 126 . 1 1 A 17 17 GLU HA H 17 4.227 4.027 0.200 2
1 127 . 1 1 A 17 17 GLU CB C 17 29.478 29.583 -0.105 2
1 131 . 1 1 A 17 17 GLU C C 17 177.096 177.825 -0.729 2
1 134 . 1 1 A 18 18 CYS N N 18 114.551 114.935 -0.384 2
1 135 . 1 1 A 18 18 CYS H H 18 7.945 7.817 0.128 2
1 136 . 1 1 A 18 18 CYS CA C 18 58.357 59.475 -1.118 2
1 137 . 1 1 A 18 18 CYS HA H 18 5.196 4.726 0.470 2
1 138 . 1 1 A 18 18 CYS CB C 18 32.462 30.286 2.176 2
1 140 . 1 1 A 18 18 CYS C C 18 176.232 175.745 0.487 2
1 142 . 1 1 A 19 19 GLY N N 19 113.587 110.029 3.558 2
1 143 . 1 1 A 19 19 GLY H H 19 8.233 8.112 0.121 2
1 144 . 1 1 A 19 19 GLY CA C 19 46.310 45.090 1.220 2
1 145 . 1 1 A 19 19 GLY HA3 H 19 4.284 4.087 0.197 2
1 146 . 1 1 A 19 19 GLY C C 19 173.663 174.551 -0.888 2
1 147 . 1 1 A 19 19 GLY HA2 H 19 3.758 4.072 -0.314 2
1 148 . 1 1 A 20 20 LYS N N 20 122.684 120.250 2.434 2
1 149 . 1 1 A 20 20 LYS H H 20 7.972 7.421 0.551 2
1 150 . 1 1 A 20 20 LYS CA C 20 58.156 56.273 1.883 2
1 151 . 1 1 A 20 20 LYS HA H 20 4.078 4.326 -0.248 2
1 152 . 1 1 A 20 20 LYS CB C 20 33.727 34.218 -0.491 2
1 160 . 1 1 A 20 20 LYS C C 20 174.656 175.417 -0.761 2
1 165 . 1 1 A 21 21 THR N N 21 110.579 111.205 -0.626 2
1 166 . 1 1 A 21 21 THR H H 21 7.609 8.312 -0.703 2
1 167 . 1 1 A 21 21 THR CA C 21 59.691 60.000 -0.309 2
1 168 . 1 1 A 21 21 THR HA H 21 5.205 5.467 -0.262 2
1 169 . 1 1 A 21 21 THR CB C 21 71.137 71.620 -0.483 2
1 175 . 1 1 A 21 21 THR C C 21 173.496 173.171 0.325 2
1 176 . 1 1 A 22 22 PHE N N 22 116.127 119.512 -3.385 2
1 177 . 1 1 A 22 22 PHE H H 22 8.683 9.304 -0.621 2
1 178 . 1 1 A 22 22 PHE CA C 22 56.997 56.946 0.052 2
1 179 . 1 1 A 22 22 PHE HA H 22 4.759 5.034 -0.275 2
1 180 . 1 1 A 22 22 PHE CB C 22 44.522 42.693 1.829 2
1 192 . 1 1 A 22 22 PHE C C 22 175.274 176.009 -0.735 2
1 194 . 1 1 A 23 23 SER N N 23 115.350 118.196 -2.846 2
1 195 . 1 1 A 23 23 SER H H 23 9.509 8.762 0.747 2
1 196 . 1 1 A 23 23 SER CA C 23 60.097 61.274 -1.177 2
1 197 . 1 1 A 23 23 SER HA H 23 4.455 4.122 0.333 2
1 198 . 1 1 A 23 23 SER CB C 23 64.104 62.909 1.195 2
1 201 . 1 1 A 24 24 HIS N N 24 117.610 118.197 -0.587 2
1 202 . 1 1 A 24 24 HIS H H 24 7.093 8.379 -1.286 2
1 203 . 1 1 A 24 24 HIS CA C 24 55.771 55.572 0.199 2
1 204 . 1 1 A 24 24 HIS HA H 24 4.570 5.063 -0.493 2
1 205 . 1 1 A 24 24 HIS CB C 24 33.304 32.204 1.100 2
1 212 . 1 1 A 25 25 SER H H 25 7.251 8.528 -1.278 2
1 213 . 1 1 A 25 25 SER CA C 25 61.178 60.661 0.517 2
1 214 . 1 1 A 25 25 SER HA H 25 2.986 2.912 0.074 2
1 215 . 1 1 A 25 25 SER CB C 25 61.917 61.904 0.012 2
1 218 . 1 1 A 26 26 ALA CA C 26 54.851 55.140 -0.289 2
1 219 . 1 1 A 26 26 ALA HA H 26 4.129 3.865 0.264 2
1 220 . 1 1 A 26 26 ALA CB C 26 18.182 18.303 -0.121 2
1 224 . 1 1 A 26 26 ALA C C 26 180.317 179.370 0.947 2
1 225 . 1 1 A 27 27 HIS N N 27 116.106 115.913 0.193 2
1 226 . 1 1 A 27 27 HIS H H 27 6.999 7.630 -0.631 2
1 227 . 1 1 A 27 27 HIS CA C 27 56.588 59.379 -2.791 2
1 228 . 1 1 A 27 27 HIS HA H 27 4.470 4.262 0.208 2
1 229 . 1 1 A 27 27 HIS CB C 27 31.665 29.920 1.745 2
1 235 . 1 1 A 27 27 HIS C C 27 178.498 177.176 1.322 2
1 237 . 1 1 A 28 28 LEU N N 28 121.252 120.882 0.370 2
1 238 . 1 1 A 28 28 LEU H H 28 6.954 7.831 -0.877 2
1 239 . 1 1 A 28 28 LEU CA C 28 57.761 57.833 -0.072 2
1 240 . 1 1 A 28 28 LEU HA H 28 3.160 2.891 0.269 2
1 241 . 1 1 A 28 28 LEU CB C 28 40.366 41.648 -1.282 2
1 253 . 1 1 A 28 28 LEU C C 28 177.469 178.169 -0.700 2
1 255 . 1 1 A 29 29 SER N N 29 114.613 113.834 0.779 2
1 256 . 1 1 A 29 29 SER H H 29 8.258 8.083 0.175 2
1 257 . 1 1 A 29 29 SER CA C 29 62.389 61.471 0.918 2
1 258 . 1 1 A 29 29 SER HA H 29 3.861 4.048 -0.187 2
1 259 . 1 1 A 29 29 SER CB C 29 62.209 62.731 -0.522 2
1 261 . 1 1 A 29 29 SER C C 29 176.889 176.862 0.027 2
1 263 . 1 1 A 30 30 LYS N N 30 120.296 121.616 -1.320 2
1 264 . 1 1 A 30 30 LYS H H 30 7.420 7.416 0.004 2
1 265 . 1 1 A 30 30 LYS CA C 30 58.898 58.832 0.066 2
1 266 . 1 1 A 30 30 LYS HA H 30 4.064 3.994 0.070 2
1 267 . 1 1 A 30 30 LYS CB C 30 32.454 32.126 0.328 2
1 275 . 1 1 A 30 30 LYS C C 30 178.850 178.680 0.170 2
1 280 . 1 1 A 31 31 HIS N N 31 119.097 119.798 -0.701 2
1 281 . 1 1 A 31 31 HIS H H 31 7.585 8.231 -0.646 2
1 282 . 1 1 A 31 31 HIS CA C 31 59.221 58.723 0.498 2
1 283 . 1 1 A 31 31 HIS HA H 31 4.186 4.148 0.038 2
1 284 . 1 1 A 31 31 HIS CB C 31 28.480 30.140 -1.660 2
1 290 . 1 1 A 31 31 HIS C C 31 176.309 176.943 -0.634 2
1 292 . 1 1 A 32 32 GLN N N 32 115.041 118.037 -2.996 2
1 293 . 1 1 A 32 32 GLN H H 32 8.315 7.843 0.472 2
1 294 . 1 1 A 32 32 GLN CA C 32 59.416 58.571 0.845 2
1 295 . 1 1 A 32 32 GLN HA H 32 3.715 4.169 -0.454 2
1 296 . 1 1 A 32 32 GLN CB C 32 28.247 28.363 -0.116 2
1 303 . 1 1 A 32 32 GLN C C 32 177.758 178.982 -1.224 2
1 306 . 1 1 A 33 33 LEU N N 33 118.894 120.249 -1.355 2
1 307 . 1 1 A 33 33 LEU H H 33 7.181 7.717 -0.536 2
1 308 . 1 1 A 33 33 LEU CA C 33 57.476 57.759 -0.283 2
1 309 . 1 1 A 33 33 LEU HA H 33 4.056 4.038 0.018 2
1 310 . 1 1 A 33 33 LEU CB C 33 41.570 41.273 0.297 2
1 322 . 1 1 A 33 33 LEU C C 33 179.710 179.194 0.516 2
1 324 . 1 1 A 34 34 ILE N N 34 116.556 115.145 1.411 2
1 325 . 1 1 A 34 34 ILE H H 34 7.824 7.573 0.251 2
1 326 . 1 1 A 34 34 ILE CA C 34 63.328 64.058 -0.730 2
1 327 . 1 1 A 34 34 ILE HA H 34 3.939 3.840 0.099 2
1 328 . 1 1 A 34 34 ILE CB C 34 37.595 36.932 0.663 2
1 340 . 1 1 A 34 34 ILE C C 34 177.765 177.851 -0.086 2
1 342 . 1 1 A 35 35 HIS N N 35 117.319 120.076 -2.757 2
1 343 . 1 1 A 35 35 HIS H H 35 7.053 7.697 -0.644 2
1 344 . 1 1 A 35 35 HIS CA C 35 55.162 59.414 -4.252 2
1 345 . 1 1 A 35 35 HIS HA H 35 4.793 4.257 0.536 2
1 346 . 1 1 A 35 35 HIS CB C 35 28.486 30.387 -1.901 2
1 352 . 1 1 A 35 35 HIS C C 35 175.328 176.223 -0.895 2
1 354 . 1 1 A 36 36 ALA N N 36 122.453 120.171 2.282 2
1 355 . 1 1 A 36 36 ALA H H 36 7.546 7.249 0.297 2
1 356 . 1 1 A 36 36 ALA CA C 36 53.295 52.232 1.063 2
1 357 . 1 1 A 36 36 ALA HA H 36 4.340 4.247 0.093 2
1 358 . 1 1 A 36 36 ALA CB C 36 19.226 19.263 -0.037 2
1 362 . 1 1 A 36 36 ALA C C 36 178.109 177.666 0.443 2
1 363 . 1 1 A 37 37 GLY N N 37 107.129 108.389 -1.260 2
1 364 . 1 1 A 37 37 GLY H H 37 8.129 8.395 -0.266 2
1 365 . 1 1 A 37 37 GLY CA C 37 45.268 46.067 -0.799 2
1 366 . 1 1 A 37 37 GLY HA3 H 37 3.998 3.993 0.005 2
1 367 . 1 1 A 37 37 GLY C C 37 174.043 173.952 0.091 2
1 368 . 1 1 A 37 37 GLY HA2 H 37 3.954 3.988 -0.034 2
1 369 . 1 1 A 38 38 GLU N N 38 119.932 121.449 -1.517 2
1 370 . 1 1 A 38 38 GLU H H 38 8.057 8.419 -0.362 2
1 371 . 1 1 A 38 38 GLU CA C 38 56.397 56.353 0.044 2
1 372 . 1 1 A 38 38 GLU HA H 38 4.284 4.553 -0.269 2
1 373 . 1 1 A 38 38 GLU CB C 38 30.566 30.423 0.143 2
1 377 . 1 1 A 38 38 GLU C C 38 176.062 175.681 0.381 2
1 380 . 1 1 A 39 39 ASN N N 39 120.263 118.886 1.377 2
1 381 . 1 1 A 39 39 ASN H H 39 8.524 8.376 0.148 2
1 382 . 1 1 A 39 39 ASN CA C 39 51.432 50.294 1.138 2
1 383 . 1 1 A 39 39 ASN HA H 39 4.986 5.178 -0.192 2
1 384 . 1 1 A 39 39 ASN CB C 39 39.023 40.956 -1.933 2
1 389 . 1 1 A 39 39 ASN C C 39 173.352 173.610 -0.258 2
1 391 . 1 1 A 40 40 PRO CA C 40 63.132 63.114 0.018 2
1 392 . 1 1 A 40 40 PRO HA H 40 4.437 4.607 -0.170 2
1 393 . 1 1 A 40 40 PRO CB C 40 32.192 31.793 0.399 2
1 402 . 1 1 A 41 41 SER N N 41 116.490 115.925 0.565 2
1 403 . 1 1 A 41 41 SER H H 41 8.541 8.297 0.244 2
1 404 . 1 1 A 41 41 SER CA C 41 58.569 57.989 0.580 2
1 405 . 1 1 A 41 41 SER CB C 41 64.089 64.633 -0.544 2
1 406 . 1 1 A 42 42 GLY HA2 H 42 4.122 4.105 0.017 2
1 407 . 1 1 A 43 43 PRO CA C 43 63.258 63.248 0.011 2
1 408 . 1 1 A 43 43 PRO HA H 43 4.490 4.529 -0.039 2
1 409 . 1 1 A 43 43 PRO CB C 43 32.196 32.205 -0.009 2
1 418 . 1 1 A 44 44 SER N N 44 115.698 115.753 -0.055 2
1 419 . 1 1 A 44 44 SER H H 44 8.413 8.242 0.171 2
1 420 . 1 1 A 44 44 SER CA C 44 58.408 58.410 -0.002 2
1 421 . 1 1 A 44 44 SER HA H 44 4.489 4.559 -0.070 2
1 422 . 1 1 A 44 44 SER CB C 44 63.941 64.149 -0.208 2
1 424 . 1 1 A 45 45 SER CA C 45 58.456 58.708 -0.252 2
1 425 . 1 1 A 45 45 SER HA H 45 4.490 4.632 -0.142 2
1 426 . 1 1 A 45 45 SER CB C 45 64.115 64.254 -0.139 2
1 428 . 1 1 A 45 45 SER C C 45 173.910 174.390 -0.480 2
stop_
save_