data_10154_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10154
_Entry.PDB_ID 2EOY
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.660 45.896 -0.236 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.931 4.139 -0.208 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.931 4.140 -0.209 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.138 173.712 0.426 1
1 5 . 1 1 1 A 8 8 GLN N N 8 119.891 121.191 -1.300 1
1 6 . 1 1 1 A 8 8 GLN H H 8 8.206 8.896 -0.690 1
1 7 . 1 1 1 A 8 8 GLN CA C 8 55.820 55.515 0.305 1
1 8 . 1 1 1 A 8 8 GLN HA H 8 4.341 4.289 0.052 1
1 9 . 1 1 1 A 8 8 GLN CB C 8 29.497 28.092 1.405 1
1 18 . 1 1 1 A 8 8 GLN C C 8 176.071 176.623 -0.552 1
1 19 . 1 1 1 A 9 9 LYS N N 9 122.781 121.720 1.061 1
1 20 . 1 1 1 A 9 9 LYS H H 9 8.408 7.775 0.633 1
1 21 . 1 1 1 A 9 9 LYS CA C 9 56.490 59.647 -3.157 1
1 22 . 1 1 1 A 9 9 LYS HA H 9 4.292 4.074 0.218 1
1 23 . 1 1 1 A 9 9 LYS CB C 9 33.055 32.320 0.735 1
1 35 . 1 1 1 A 9 9 LYS C C 9 176.568 177.520 -0.952 1
1 36 . 1 1 1 A 10 10 GLU N N 10 121.884 118.402 3.482 1
1 37 . 1 1 1 A 10 10 GLU H H 10 8.435 7.923 0.512 1
1 38 . 1 1 1 A 10 10 GLU CA C 10 56.644 56.535 0.109 1
1 39 . 1 1 1 A 10 10 GLU HA H 10 4.239 4.385 -0.146 1
1 40 . 1 1 1 A 10 10 GLU CB C 10 30.349 30.532 -0.183 1
1 46 . 1 1 1 A 10 10 GLU C C 10 176.223 176.217 0.006 1
1 47 . 1 1 1 A 11 11 LYS N N 11 122.536 120.725 1.811 1
1 48 . 1 1 1 A 11 11 LYS H H 11 8.406 8.968 -0.562 1
1 49 . 1 1 1 A 11 11 LYS CA C 11 56.095 54.254 1.841 1
1 50 . 1 1 1 A 11 11 LYS HA H 11 4.235 5.078 -0.843 1
1 51 . 1 1 1 A 11 11 LYS CB C 11 32.883 36.038 -3.155 1
1 63 . 1 1 1 A 11 11 LYS C C 11 175.448 175.074 0.374 1
1 64 . 1 1 1 A 12 12 CYS N N 12 119.041 118.629 0.412 1
1 65 . 1 1 1 A 12 12 CYS H H 12 7.970 8.480 -0.510 1
1 66 . 1 1 1 A 12 12 CYS CA C 12 57.850 58.312 -0.462 1
1 67 . 1 1 1 A 12 12 CYS HA H 12 4.523 5.167 -0.644 1
1 68 . 1 1 1 A 12 12 CYS CB C 12 28.790 31.431 -2.641 1
1 71 . 1 1 1 A 12 12 CYS C C 12 173.137 172.915 0.222 1
1 72 . 1 1 1 A 13 13 PHE N N 13 123.659 124.453 -0.794 1
1 73 . 1 1 1 A 13 13 PHE H H 13 8.796 9.216 -0.420 1
1 74 . 1 1 1 A 13 13 PHE CA C 13 57.405 56.616 0.789 1
1 75 . 1 1 1 A 13 13 PHE HA H 13 4.636 5.045 -0.409 1
1 76 . 1 1 1 A 13 13 PHE CB C 13 39.505 39.113 0.392 1
1 89 . 1 1 1 A 13 13 PHE C C 13 174.193 174.316 -0.123 1
1 90 . 1 1 1 A 14 14 LYS N N 14 125.302 125.496 -0.194 1
1 91 . 1 1 1 A 14 14 LYS H H 14 8.659 8.993 -0.334 1
1 92 . 1 1 1 A 14 14 LYS CA C 14 55.196 54.555 0.641 1
1 93 . 1 1 1 A 14 14 LYS HA H 14 4.831 5.067 -0.236 1
1 94 . 1 1 1 A 14 14 LYS CB C 14 35.042 35.311 -0.269 1
1 105 . 1 1 1 A 14 14 LYS C C 14 175.026 175.679 -0.653 1
1 106 . 1 1 1 A 15 15 CYS N N 15 127.929 125.280 2.649 1
1 107 . 1 1 1 A 15 15 CYS H H 15 8.710 8.690 0.020 1
1 108 . 1 1 1 A 15 15 CYS CA C 15 60.083 59.294 0.789 1
1 109 . 1 1 1 A 15 15 CYS HA H 15 4.578 4.576 0.002 1
1 110 . 1 1 1 A 15 15 CYS CB C 15 29.646 28.848 0.798 1
1 113 . 1 1 1 A 15 15 CYS C C 15 175.715 174.695 1.020 1
1 114 . 1 1 1 A 16 16 ASN N N 16 126.460 122.469 3.991 1
1 115 . 1 1 1 A 16 16 ASN H H 16 9.033 8.874 0.159 1
1 116 . 1 1 1 A 16 16 ASN CA C 16 54.820 54.517 0.303 1
1 117 . 1 1 1 A 16 16 ASN HA H 16 4.728 4.928 -0.200 1
1 118 . 1 1 1 A 16 16 ASN CB C 16 38.681 39.578 -0.897 1
1 124 . 1 1 1 A 16 16 ASN C C 16 176.123 177.081 -0.958 1
1 125 . 1 1 1 A 17 17 LYS N N 17 121.823 118.479 3.344 1
1 126 . 1 1 1 A 17 17 LYS H H 17 9.444 8.139 1.305 1
1 127 . 1 1 1 A 17 17 LYS CA C 17 56.577 59.176 -2.599 1
1 128 . 1 1 1 A 17 17 LYS HA H 17 4.368 3.875 0.493 1
1 129 . 1 1 1 A 17 17 LYS CB C 17 33.308 31.821 1.487 1
1 141 . 1 1 1 A 17 17 LYS C C 17 176.102 179.047 -2.945 1
1 142 . 1 1 1 A 18 18 CYS N N 18 118.544 116.912 1.632 1
1 143 . 1 1 1 A 18 18 CYS H H 18 7.918 7.621 0.297 1
1 144 . 1 1 1 A 18 18 CYS CA C 18 58.610 60.609 -1.999 1
1 145 . 1 1 1 A 18 18 CYS HA H 18 5.016 4.382 0.634 1
1 146 . 1 1 1 A 18 18 CYS CB C 18 30.648 28.683 1.965 1
1 149 . 1 1 1 A 18 18 CYS C C 18 173.625 175.003 -1.378 1
1 150 . 1 1 1 A 19 19 GLU N N 19 115.419 116.285 -0.866 1
1 151 . 1 1 1 A 19 19 GLU H H 19 8.498 7.990 0.508 1
1 152 . 1 1 1 A 19 19 GLU CA C 19 57.672 57.657 0.015 1
1 153 . 1 1 1 A 19 19 GLU HA H 19 4.229 4.153 0.076 1
1 154 . 1 1 1 A 19 19 GLU CB C 19 28.577 27.185 1.392 1
1 160 . 1 1 1 A 19 19 GLU C C 19 176.219 175.110 1.109 1
1 161 . 1 1 1 A 20 20 LYS N N 20 122.785 118.596 4.189 1
1 162 . 1 1 1 A 20 20 LYS H H 20 8.283 7.320 0.963 1
1 163 . 1 1 1 A 20 20 LYS CA C 20 58.127 55.084 3.043 1
1 164 . 1 1 1 A 20 20 LYS HA H 20 4.033 4.564 -0.531 1
1 165 . 1 1 1 A 20 20 LYS CB C 20 33.528 33.520 0.008 1
1 177 . 1 1 1 A 20 20 LYS C C 20 174.855 176.463 -1.608 1
1 178 . 1 1 1 A 21 21 THR N N 21 110.456 116.110 -5.654 1
1 179 . 1 1 1 A 21 21 THR H H 21 7.497 8.567 -1.070 1
1 180 . 1 1 1 A 21 21 THR CA C 21 59.617 61.906 -2.289 1
1 181 . 1 1 1 A 21 21 THR HA H 21 5.051 4.515 0.536 1
1 182 . 1 1 1 A 21 21 THR CB C 21 71.680 69.768 1.912 1
1 188 . 1 1 1 A 21 21 THR C C 21 173.142 174.180 -1.038 1
1 189 . 1 1 1 A 22 22 PHE N N 22 117.251 120.766 -3.515 1
1 190 . 1 1 1 A 22 22 PHE H H 22 8.746 8.926 -0.180 1
1 191 . 1 1 1 A 22 22 PHE CA C 22 57.180 56.503 0.677 1
1 192 . 1 1 1 A 22 22 PHE HA H 22 4.963 4.983 -0.020 1
1 193 . 1 1 1 A 22 22 PHE CB C 22 44.791 43.190 1.601 1
1 206 . 1 1 1 A 22 22 PHE C C 22 176.046 175.775 0.271 1
1 207 . 1 1 1 A 23 23 SER CA C 23 59.336 60.415 -1.079 1
1 208 . 1 1 1 A 23 23 SER HA H 23 4.754 4.560 0.194 1
1 209 . 1 1 1 A 23 23 SER CB C 23 64.271 64.036 0.235 1
1 212 . 1 1 1 A 24 24 CYS N N 24 113.033 119.042 -6.009 1
1 213 . 1 1 1 A 24 24 CYS H H 24 7.330 7.711 -0.381 1
1 214 . 1 1 1 A 24 24 CYS CA C 24 56.095 57.571 -1.476 1
1 215 . 1 1 1 A 24 24 CYS HA H 24 4.482 4.563 -0.081 1
1 216 . 1 1 1 A 24 24 CYS CB C 24 30.326 30.333 -0.007 1
1 219 . 1 1 1 A 25 25 SER CA C 25 60.983 60.657 0.326 1
1 220 . 1 1 1 A 25 25 SER HA H 25 3.348 3.427 -0.079 1
1 221 . 1 1 1 A 25 25 SER CB C 25 62.224 62.946 -0.722 1
1 224 . 1 1 1 A 26 26 LYS H H 26 8.166 7.988 0.178 1
1 225 . 1 1 1 A 26 26 LYS CA C 26 59.574 58.776 0.798 1
1 226 . 1 1 1 A 26 26 LYS HA H 26 3.971 4.043 -0.072 1
1 227 . 1 1 1 A 26 26 LYS CB C 26 31.930 31.779 0.151 1
1 239 . 1 1 1 A 26 26 LYS C C 26 178.526 177.934 0.592 1
1 240 . 1 1 1 A 27 27 TYR N N 27 117.062 119.496 -2.434 1
1 241 . 1 1 1 A 27 27 TYR H H 27 6.995 8.087 -1.092 1
1 242 . 1 1 1 A 27 27 TYR CA C 27 57.700 60.540 -2.840 1
1 243 . 1 1 1 A 27 27 TYR HA H 27 4.498 4.190 0.308 1
1 244 . 1 1 1 A 27 27 TYR CB C 27 36.779 38.006 -1.227 1
1 255 . 1 1 1 A 27 27 TYR C C 27 178.560 178.139 0.421 1
1 256 . 1 1 1 A 28 28 LEU N N 28 122.433 121.186 1.247 1
1 257 . 1 1 1 A 28 28 LEU H H 28 7.156 8.005 -0.849 1
1 258 . 1 1 1 A 28 28 LEU CA C 28 58.234 57.739 0.495 1
1 259 . 1 1 1 A 28 28 LEU HA H 28 3.396 3.363 0.033 1
1 260 . 1 1 1 A 28 28 LEU CB C 28 40.519 41.662 -1.143 1
1 273 . 1 1 1 A 28 28 LEU C C 28 177.446 178.375 -0.929 1
1 274 . 1 1 1 A 29 29 THR N N 29 115.799 114.059 1.740 1
1 275 . 1 1 1 A 29 29 THR H H 29 8.543 7.929 0.614 1
1 276 . 1 1 1 A 29 29 THR CA C 29 66.539 66.316 0.223 1
1 277 . 1 1 1 A 29 29 THR HA H 29 3.972 3.807 0.165 1
1 278 . 1 1 1 A 29 29 THR CB C 29 68.701 68.302 0.399 1
1 284 . 1 1 1 A 29 29 THR C C 29 177.042 176.488 0.554 1
1 285 . 1 1 1 A 30 30 GLN N N 30 118.831 121.454 -2.623 1
1 286 . 1 1 1 A 30 30 GLN H H 30 7.568 7.841 -0.273 1
1 287 . 1 1 1 A 30 30 GLN CA C 30 58.801 58.634 0.167 1
1 288 . 1 1 1 A 30 30 GLN HA H 30 3.971 3.894 0.077 1
1 289 . 1 1 1 A 30 30 GLN CB C 30 28.596 28.393 0.203 1
1 298 . 1 1 1 A 30 30 GLN C C 30 178.233 177.753 0.480 1
1 299 . 1 1 1 A 31 31 HIS N N 31 119.357 120.185 -0.828 1
1 300 . 1 1 1 A 31 31 HIS H H 31 7.565 7.839 -0.274 1
1 301 . 1 1 1 A 31 31 HIS CA C 31 59.086 59.742 -0.656 1
1 302 . 1 1 1 A 31 31 HIS HA H 31 4.227 4.101 0.126 1
1 303 . 1 1 1 A 31 31 HIS CB C 31 28.676 29.681 -1.005 1
1 310 . 1 1 1 A 31 31 HIS C C 31 176.294 176.512 -0.218 1
1 311 . 1 1 1 A 32 32 GLU N N 32 116.614 117.281 -0.667 1
1 312 . 1 1 1 A 32 32 GLU H H 32 8.508 8.791 -0.283 1
1 313 . 1 1 1 A 32 32 GLU CA C 32 60.064 59.828 0.236 1
1 314 . 1 1 1 A 32 32 GLU HA H 32 3.695 4.110 -0.415 1
1 315 . 1 1 1 A 32 32 GLU CB C 32 29.809 29.436 0.373 1
1 321 . 1 1 1 A 32 32 GLU C C 32 178.085 179.209 -1.124 1
1 322 . 1 1 1 A 33 33 ARG N N 33 116.851 119.564 -2.713 1
1 323 . 1 1 1 A 33 33 ARG H H 33 7.041 7.981 -0.940 1
1 324 . 1 1 1 A 33 33 ARG CA C 33 58.355 59.163 -0.808 1
1 325 . 1 1 1 A 33 33 ARG HA H 33 4.121 3.945 0.176 1
1 326 . 1 1 1 A 33 33 ARG CB C 33 30.200 29.882 0.318 1
1 335 . 1 1 1 A 33 33 ARG C C 33 178.487 178.456 0.031 1
1 336 . 1 1 1 A 34 34 ILE N N 34 116.576 117.929 -1.353 1
1 337 . 1 1 1 A 34 34 ILE H H 34 7.947 8.175 -0.228 1
1 338 . 1 1 1 A 34 34 ILE CA C 34 63.154 63.953 -0.799 1
1 339 . 1 1 1 A 34 34 ILE HA H 34 3.952 3.764 0.188 1
1 340 . 1 1 1 A 34 34 ILE CB C 34 37.652 37.237 0.415 1
1 353 . 1 1 1 A 34 34 ILE C C 34 177.459 176.559 0.900 1
1 354 . 1 1 1 A 35 35 HIS N N 35 117.114 119.573 -2.459 1
1 355 . 1 1 1 A 35 35 HIS H H 35 7.243 7.786 -0.543 1
1 356 . 1 1 1 A 35 35 HIS CA C 35 55.496 54.616 0.880 1
1 357 . 1 1 1 A 35 35 HIS HA H 35 4.776 4.607 0.169 1
1 358 . 1 1 1 A 35 35 HIS CB C 35 28.583 27.376 1.207 1
1 365 . 1 1 1 A 35 35 HIS C C 35 175.451 173.770 1.681 1
1 366 . 1 1 1 A 36 36 THR N N 36 112.873 111.923 0.950 1
1 367 . 1 1 1 A 36 36 THR H H 36 7.691 8.009 -0.318 1
1 368 . 1 1 1 A 36 36 THR CA C 36 62.256 60.571 1.685 1
1 369 . 1 1 1 A 36 36 THR HA H 36 4.377 5.091 -0.714 1
1 370 . 1 1 1 A 36 36 THR CB C 36 69.760 70.860 -1.100 1
1 376 . 1 1 1 A 36 36 THR C C 36 174.552 172.976 1.576 1
1 377 . 1 1 1 A 37 37 ARG N N 37 122.792 127.529 -4.737 1
1 378 . 1 1 1 A 37 37 ARG H H 37 8.176 8.649 -0.473 1
1 379 . 1 1 1 A 37 37 ARG CA C 37 56.728 58.073 -1.345 1
1 380 . 1 1 1 A 37 37 ARG HA H 37 4.369 3.992 0.377 1
1 381 . 1 1 1 A 37 37 ARG CB C 37 30.703 29.842 0.861 1
1 390 . 1 1 1 A 37 37 ARG C C 37 176.742 177.221 -0.479 1
1 391 . 1 1 1 A 38 38 GLY N N 38 110.024 114.889 -4.865 1
1 392 . 1 1 1 A 38 38 GLY H H 38 8.396 8.859 -0.463 1
1 393 . 1 1 1 A 38 38 GLY CA C 38 45.327 46.031 -0.704 1
1 394 . 1 1 1 A 38 38 GLY HA2 H 38 3.983 4.093 -0.110 1
1 395 . 1 1 1 A 38 38 GLY HA3 H 38 3.983 4.093 -0.110 1
1 396 . 1 1 1 A 38 38 GLY C C 38 174.010 174.396 -0.386 1
1 397 . 1 1 1 A 39 39 VAL N N 39 119.355 120.777 -1.422 1
1 398 . 1 1 1 A 39 39 VAL H H 39 7.972 8.002 -0.030 1
1 399 . 1 1 1 A 39 39 VAL CA C 39 62.275 61.237 1.038 1
1 400 . 1 1 1 A 39 39 VAL HA H 39 4.134 4.499 -0.365 1
1 401 . 1 1 1 A 39 39 VAL CB C 39 32.877 33.691 -0.814 1
1 411 . 1 1 1 A 39 39 VAL C C 39 176.275 175.165 1.110 1
1 412 . 1 1 1 A 40 40 LYS N N 40 125.416 128.649 -3.233 1
1 413 . 1 1 1 A 40 40 LYS H H 40 8.482 8.633 -0.151 1
1 414 . 1 1 1 A 40 40 LYS CA C 40 56.257 56.523 -0.266 1
1 415 . 1 1 1 A 40 40 LYS HA H 40 4.392 4.102 0.290 1
1 416 . 1 1 1 A 40 40 LYS CB C 40 33.006 32.751 0.255 1
1 427 . 1 1 1 A 40 40 LYS C C 40 176.346 177.204 -0.858 1
1 428 . 1 1 1 A 41 41 SER N N 41 117.710 117.077 0.633 1
1 429 . 1 1 1 A 41 41 SER H H 41 8.326 8.713 -0.387 1
1 430 . 1 1 1 A 41 41 SER CA C 41 58.775 59.410 -0.635 1
1 431 . 1 1 1 A 41 41 SER HA H 41 4.491 4.099 0.392 1
1 432 . 1 1 1 A 41 41 SER CB C 41 63.841 61.998 1.843 1
1 435 . 1 1 1 A 41 41 SER C C 41 173.882 173.871 0.011 1
1 436 . 1 1 1 A 42 42 GLY N N 42 116.832 107.652 9.180 1
1 437 . 1 1 1 A 42 42 GLY H H 42 8.057 8.054 0.003 1
1 438 . 1 1 1 A 42 42 GLY CA C 42 44.640 46.406 -1.766 1
1 439 . 1 1 1 A 42 42 GLY HA2 H 42 4.144 3.903 0.241 1
1 440 . 1 1 1 A 42 42 GLY HA3 H 42 4.144 3.904 0.240 1
1 441 . 1 1 1 A 42 42 GLY C C 42 178.957 174.884 4.073 1
1 442 . 1 1 1 A 43 43 PRO CA C 43 63.377 64.630 -1.253 1
1 443 . 1 1 1 A 43 43 PRO HA H 43 4.491 4.374 0.117 1
1 444 . 1 1 1 A 43 43 PRO CB C 43 32.201 32.127 0.074 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.660 46.002 -0.342 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.931 3.937 -0.006 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.931 3.937 -0.006 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.138 175.094 -0.956 1
1 5 . 2 1 1 A 8 8 GLN N N 8 119.891 119.304 0.587 1
1 6 . 2 1 1 A 8 8 GLN H H 8 8.206 8.181 0.025 1
1 7 . 2 1 1 A 8 8 GLN CA C 8 55.820 56.936 -1.116 1
1 8 . 2 1 1 A 8 8 GLN HA H 8 4.341 3.988 0.353 1
1 9 . 2 1 1 A 8 8 GLN CB C 8 29.497 27.481 2.016 1
1 18 . 2 1 1 A 8 8 GLN C C 8 176.071 174.891 1.180 1
1 19 . 2 1 1 A 9 9 LYS N N 9 122.781 112.035 10.746 1
1 20 . 2 1 1 A 9 9 LYS H H 9 8.408 8.392 0.016 1
1 21 . 2 1 1 A 9 9 LYS CA C 9 56.490 57.359 -0.869 1
1 22 . 2 1 1 A 9 9 LYS HA H 9 4.292 3.823 0.469 1
1 23 . 2 1 1 A 9 9 LYS CB C 9 33.055 30.206 2.849 1
1 35 . 2 1 1 A 9 9 LYS C C 9 176.568 176.396 0.172 1
1 36 . 2 1 1 A 10 10 GLU N N 10 121.884 118.355 3.529 1
1 37 . 2 1 1 A 10 10 GLU H H 10 8.435 8.181 0.254 1
1 38 . 2 1 1 A 10 10 GLU CA C 10 56.644 55.392 1.252 1
1 39 . 2 1 1 A 10 10 GLU HA H 10 4.239 4.210 0.029 1
1 40 . 2 1 1 A 10 10 GLU CB C 10 30.349 28.496 1.853 1
1 46 . 2 1 1 A 10 10 GLU C C 10 176.223 177.042 -0.819 1
1 47 . 2 1 1 A 11 11 LYS N N 11 122.536 118.146 4.390 1
1 48 . 2 1 1 A 11 11 LYS H H 11 8.406 7.909 0.497 1
1 49 . 2 1 1 A 11 11 LYS CA C 11 56.095 57.333 -1.238 1
1 50 . 2 1 1 A 11 11 LYS HA H 11 4.235 3.701 0.534 1
1 51 . 2 1 1 A 11 11 LYS CB C 11 32.883 31.315 1.568 1
1 63 . 2 1 1 A 11 11 LYS C C 11 175.448 175.411 0.037 1
1 64 . 2 1 1 A 12 12 CYS N N 12 119.041 118.716 0.325 1
1 65 . 2 1 1 A 12 12 CYS H H 12 7.970 7.494 0.476 1
1 66 . 2 1 1 A 12 12 CYS CA C 12 57.850 59.474 -1.624 1
1 67 . 2 1 1 A 12 12 CYS HA H 12 4.523 4.047 0.476 1
1 68 . 2 1 1 A 12 12 CYS CB C 12 28.790 28.741 0.049 1
1 71 . 2 1 1 A 12 12 CYS C C 12 173.137 173.041 0.096 1
1 72 . 2 1 1 A 13 13 PHE N N 13 123.659 121.264 2.395 1
1 73 . 2 1 1 A 13 13 PHE H H 13 8.796 9.029 -0.233 1
1 74 . 2 1 1 A 13 13 PHE CA C 13 57.405 56.315 1.090 1
1 75 . 2 1 1 A 13 13 PHE HA H 13 4.636 5.046 -0.410 1
1 76 . 2 1 1 A 13 13 PHE CB C 13 39.505 43.150 -3.645 1
1 89 . 2 1 1 A 13 13 PHE C C 13 174.193 174.095 0.098 1
1 90 . 2 1 1 A 14 14 LYS N N 14 125.302 123.536 1.766 1
1 91 . 2 1 1 A 14 14 LYS H H 14 8.659 9.143 -0.484 1
1 92 . 2 1 1 A 14 14 LYS CA C 14 55.196 54.194 1.002 1
1 93 . 2 1 1 A 14 14 LYS HA H 14 4.831 5.250 -0.419 1
1 94 . 2 1 1 A 14 14 LYS CB C 14 35.042 36.080 -1.038 1
1 105 . 2 1 1 A 14 14 LYS C C 14 175.026 174.824 0.202 1
1 106 . 2 1 1 A 15 15 CYS N N 15 127.929 124.070 3.859 1
1 107 . 2 1 1 A 15 15 CYS H H 15 8.710 8.910 -0.200 1
1 108 . 2 1 1 A 15 15 CYS CA C 15 60.083 58.457 1.626 1
1 109 . 2 1 1 A 15 15 CYS HA H 15 4.578 4.774 -0.196 1
1 110 . 2 1 1 A 15 15 CYS CB C 15 29.646 29.441 0.205 1
1 113 . 2 1 1 A 15 15 CYS C C 15 175.715 174.722 0.993 1
1 114 . 2 1 1 A 16 16 ASN N N 16 126.460 121.671 4.789 1
1 115 . 2 1 1 A 16 16 ASN H H 16 9.033 8.822 0.211 1
1 116 . 2 1 1 A 16 16 ASN CA C 16 54.820 54.719 0.101 1
1 117 . 2 1 1 A 16 16 ASN HA H 16 4.728 4.883 -0.155 1
1 118 . 2 1 1 A 16 16 ASN CB C 16 38.681 39.515 -0.834 1
1 124 . 2 1 1 A 16 16 ASN C C 16 176.123 177.155 -1.032 1
1 125 . 2 1 1 A 17 17 LYS N N 17 121.823 118.492 3.331 1
1 126 . 2 1 1 A 17 17 LYS H H 17 9.444 8.032 1.412 1
1 127 . 2 1 1 A 17 17 LYS CA C 17 56.577 59.157 -2.580 1
1 128 . 2 1 1 A 17 17 LYS HA H 17 4.368 3.884 0.484 1
1 129 . 2 1 1 A 17 17 LYS CB C 17 33.308 31.853 1.455 1
1 141 . 2 1 1 A 17 17 LYS C C 17 176.102 179.024 -2.922 1
1 142 . 2 1 1 A 18 18 CYS N N 18 118.544 117.612 0.932 1
1 143 . 2 1 1 A 18 18 CYS H H 18 7.918 7.654 0.264 1
1 144 . 2 1 1 A 18 18 CYS CA C 18 58.610 60.692 -2.082 1
1 145 . 2 1 1 A 18 18 CYS HA H 18 5.016 4.368 0.648 1
1 146 . 2 1 1 A 18 18 CYS CB C 18 30.648 28.625 2.023 1
1 149 . 2 1 1 A 18 18 CYS C C 18 173.625 174.994 -1.369 1
1 150 . 2 1 1 A 19 19 GLU N N 19 115.419 116.527 -1.108 1
1 151 . 2 1 1 A 19 19 GLU H H 19 8.498 8.029 0.469 1
1 152 . 2 1 1 A 19 19 GLU CA C 19 57.672 57.664 0.008 1
1 153 . 2 1 1 A 19 19 GLU HA H 19 4.229 4.165 0.064 1
1 154 . 2 1 1 A 19 19 GLU CB C 19 28.577 27.212 1.365 1
1 160 . 2 1 1 A 19 19 GLU C C 19 176.219 174.900 1.319 1
1 161 . 2 1 1 A 20 20 LYS N N 20 122.785 118.151 4.634 1
1 162 . 2 1 1 A 20 20 LYS H H 20 8.283 7.254 1.029 1
1 163 . 2 1 1 A 20 20 LYS CA C 20 58.127 54.785 3.342 1
1 164 . 2 1 1 A 20 20 LYS HA H 20 4.033 4.739 -0.706 1
1 165 . 2 1 1 A 20 20 LYS CB C 20 33.528 34.246 -0.718 1
1 177 . 2 1 1 A 20 20 LYS C C 20 174.855 176.301 -1.446 1
1 178 . 2 1 1 A 21 21 THR N N 21 110.456 113.175 -2.719 1
1 179 . 2 1 1 A 21 21 THR H H 21 7.497 8.406 -0.909 1
1 180 . 2 1 1 A 21 21 THR CA C 21 59.617 60.425 -0.808 1
1 181 . 2 1 1 A 21 21 THR HA H 21 5.051 5.067 -0.016 1
1 182 . 2 1 1 A 21 21 THR CB C 21 71.680 70.448 1.232 1
1 188 . 2 1 1 A 21 21 THR C C 21 173.142 173.620 -0.478 1
1 189 . 2 1 1 A 22 22 PHE N N 22 117.251 119.391 -2.140 1
1 190 . 2 1 1 A 22 22 PHE H H 22 8.746 8.600 0.146 1
1 191 . 2 1 1 A 22 22 PHE CA C 22 57.180 56.420 0.760 1
1 192 . 2 1 1 A 22 22 PHE HA H 22 4.963 4.935 0.028 1
1 193 . 2 1 1 A 22 22 PHE CB C 22 44.791 43.538 1.253 1
1 206 . 2 1 1 A 22 22 PHE C C 22 176.046 175.743 0.303 1
1 207 . 2 1 1 A 23 23 SER CA C 23 59.336 61.073 -1.737 1
1 208 . 2 1 1 A 23 23 SER HA H 23 4.754 4.590 0.164 1
1 209 . 2 1 1 A 23 23 SER CB C 23 64.271 63.724 0.547 1
1 212 . 2 1 1 A 24 24 CYS N N 24 113.033 119.152 -6.119 1
1 213 . 2 1 1 A 24 24 CYS H H 24 7.330 8.317 -0.987 1
1 214 . 2 1 1 A 24 24 CYS CA C 24 56.095 58.094 -1.999 1
1 215 . 2 1 1 A 24 24 CYS HA H 24 4.482 4.995 -0.513 1
1 216 . 2 1 1 A 24 24 CYS CB C 24 30.326 30.641 -0.315 1
1 219 . 2 1 1 A 25 25 SER CA C 25 60.983 61.162 -0.179 1
1 220 . 2 1 1 A 25 25 SER HA H 25 3.348 3.851 -0.503 1
1 221 . 2 1 1 A 25 25 SER CB C 25 62.224 62.748 -0.524 1
1 224 . 2 1 1 A 26 26 LYS H H 26 8.166 8.125 0.041 1
1 225 . 2 1 1 A 26 26 LYS CA C 26 59.574 58.328 1.246 1
1 226 . 2 1 1 A 26 26 LYS HA H 26 3.971 4.059 -0.088 1
1 227 . 2 1 1 A 26 26 LYS CB C 26 31.930 31.652 0.278 1
1 239 . 2 1 1 A 26 26 LYS C C 26 178.526 178.038 0.488 1
1 240 . 2 1 1 A 27 27 TYR N N 27 117.062 118.582 -1.520 1
1 241 . 2 1 1 A 27 27 TYR H H 27 6.995 7.539 -0.544 1
1 242 . 2 1 1 A 27 27 TYR CA C 27 57.700 60.753 -3.053 1
1 243 . 2 1 1 A 27 27 TYR HA H 27 4.498 4.402 0.096 1
1 244 . 2 1 1 A 27 27 TYR CB C 27 36.779 38.909 -2.130 1
1 255 . 2 1 1 A 27 27 TYR C C 27 178.560 178.103 0.457 1
1 256 . 2 1 1 A 28 28 LEU N N 28 122.433 121.393 1.040 1
1 257 . 2 1 1 A 28 28 LEU H H 28 7.156 7.987 -0.831 1
1 258 . 2 1 1 A 28 28 LEU CA C 28 58.234 57.403 0.831 1
1 259 . 2 1 1 A 28 28 LEU HA H 28 3.396 3.231 0.165 1
1 260 . 2 1 1 A 28 28 LEU CB C 28 40.519 41.521 -1.002 1
1 273 . 2 1 1 A 28 28 LEU C C 28 177.446 178.243 -0.797 1
1 274 . 2 1 1 A 29 29 THR N N 29 115.799 114.509 1.290 1
1 275 . 2 1 1 A 29 29 THR H H 29 8.543 8.229 0.314 1
1 276 . 2 1 1 A 29 29 THR CA C 29 66.539 66.163 0.376 1
1 277 . 2 1 1 A 29 29 THR HA H 29 3.972 3.750 0.222 1
1 278 . 2 1 1 A 29 29 THR CB C 29 68.701 68.348 0.353 1
1 284 . 2 1 1 A 29 29 THR C C 29 177.042 176.676 0.366 1
1 285 . 2 1 1 A 30 30 GLN N N 30 118.831 118.687 0.144 1
1 286 . 2 1 1 A 30 30 GLN H H 30 7.568 8.171 -0.603 1
1 287 . 2 1 1 A 30 30 GLN CA C 30 58.801 58.948 -0.147 1
1 288 . 2 1 1 A 30 30 GLN HA H 30 3.971 3.920 0.051 1
1 289 . 2 1 1 A 30 30 GLN CB C 30 28.596 28.196 0.400 1
1 298 . 2 1 1 A 30 30 GLN C C 30 178.233 178.241 -0.008 1
1 299 . 2 1 1 A 31 31 HIS N N 31 119.357 120.179 -0.822 1
1 300 . 2 1 1 A 31 31 HIS H H 31 7.565 7.737 -0.172 1
1 301 . 2 1 1 A 31 31 HIS CA C 31 59.086 59.642 -0.556 1
1 302 . 2 1 1 A 31 31 HIS HA H 31 4.227 4.263 -0.036 1
1 303 . 2 1 1 A 31 31 HIS CB C 31 28.676 29.748 -1.072 1
1 310 . 2 1 1 A 31 31 HIS C C 31 176.294 176.511 -0.217 1
1 311 . 2 1 1 A 32 32 GLU N N 32 116.614 117.249 -0.635 1
1 312 . 2 1 1 A 32 32 GLU H H 32 8.508 8.684 -0.176 1
1 313 . 2 1 1 A 32 32 GLU CA C 32 60.064 59.801 0.263 1
1 314 . 2 1 1 A 32 32 GLU HA H 32 3.695 4.034 -0.339 1
1 315 . 2 1 1 A 32 32 GLU CB C 32 29.809 29.351 0.458 1
1 321 . 2 1 1 A 32 32 GLU C C 32 178.085 179.284 -1.199 1
1 322 . 2 1 1 A 33 33 ARG N N 33 116.851 120.226 -3.375 1
1 323 . 2 1 1 A 33 33 ARG H H 33 7.041 7.588 -0.547 1
1 324 . 2 1 1 A 33 33 ARG CA C 33 58.355 59.029 -0.674 1
1 325 . 2 1 1 A 33 33 ARG HA H 33 4.121 4.039 0.082 1
1 326 . 2 1 1 A 33 33 ARG CB C 33 30.200 29.903 0.297 1
1 335 . 2 1 1 A 33 33 ARG C C 33 178.487 178.826 -0.339 1
1 336 . 2 1 1 A 34 34 ILE N N 34 116.576 117.624 -1.048 1
1 337 . 2 1 1 A 34 34 ILE H H 34 7.947 8.103 -0.156 1
1 338 . 2 1 1 A 34 34 ILE CA C 34 63.154 63.665 -0.511 1
1 339 . 2 1 1 A 34 34 ILE HA H 34 3.952 3.795 0.157 1
1 340 . 2 1 1 A 34 34 ILE CB C 34 37.652 37.173 0.479 1
1 353 . 2 1 1 A 34 34 ILE C C 34 177.459 176.212 1.247 1
1 354 . 2 1 1 A 35 35 HIS N N 35 117.114 120.675 -3.561 1
1 355 . 2 1 1 A 35 35 HIS H H 35 7.243 7.384 -0.141 1
1 356 . 2 1 1 A 35 35 HIS CA C 35 55.496 54.709 0.787 1
1 357 . 2 1 1 A 35 35 HIS HA H 35 4.776 4.725 0.051 1
1 358 . 2 1 1 A 35 35 HIS CB C 35 28.583 28.088 0.495 1
1 365 . 2 1 1 A 35 35 HIS C C 35 175.451 173.778 1.673 1
1 366 . 2 1 1 A 36 36 THR N N 36 112.873 112.982 -0.109 1
1 367 . 2 1 1 A 36 36 THR H H 36 7.691 8.368 -0.677 1
1 368 . 2 1 1 A 36 36 THR CA C 36 62.256 60.043 2.213 1
1 369 . 2 1 1 A 36 36 THR HA H 36 4.377 4.635 -0.258 1
1 370 . 2 1 1 A 36 36 THR CB C 36 69.760 71.804 -2.044 1
1 376 . 2 1 1 A 36 36 THR C C 36 174.552 173.165 1.387 1
1 377 . 2 1 1 A 37 37 ARG N N 37 122.792 118.994 3.798 1
1 378 . 2 1 1 A 37 37 ARG H H 37 8.176 8.684 -0.508 1
1 379 . 2 1 1 A 37 37 ARG CA C 37 56.728 56.960 -0.232 1
1 380 . 2 1 1 A 37 37 ARG HA H 37 4.369 3.809 0.560 1
1 381 . 2 1 1 A 37 37 ARG CB C 37 30.703 28.003 2.700 1
1 390 . 2 1 1 A 37 37 ARG C C 37 176.742 175.666 1.076 1
1 391 . 2 1 1 A 38 38 GLY N N 38 110.024 105.940 4.084 1
1 392 . 2 1 1 A 38 38 GLY H H 38 8.396 8.000 0.396 1
1 393 . 2 1 1 A 38 38 GLY CA C 38 45.327 44.889 0.438 1
1 394 . 2 1 1 A 38 38 GLY HA2 H 38 3.983 4.104 -0.121 1
1 395 . 2 1 1 A 38 38 GLY HA3 H 38 3.983 4.105 -0.122 1
1 396 . 2 1 1 A 38 38 GLY C C 38 174.010 174.811 -0.801 1
1 397 . 2 1 1 A 39 39 VAL N N 39 119.355 118.797 0.558 1
1 398 . 2 1 1 A 39 39 VAL H H 39 7.972 8.648 -0.676 1
1 399 . 2 1 1 A 39 39 VAL CA C 39 62.275 64.724 -2.449 1
1 400 . 2 1 1 A 39 39 VAL HA H 39 4.134 3.907 0.227 1
1 401 . 2 1 1 A 39 39 VAL CB C 39 32.877 31.647 1.230 1
1 411 . 2 1 1 A 39 39 VAL C C 39 176.275 175.367 0.908 1
1 412 . 2 1 1 A 40 40 LYS N N 40 125.416 122.553 2.863 1
1 413 . 2 1 1 A 40 40 LYS H H 40 8.482 7.703 0.779 1
1 414 . 2 1 1 A 40 40 LYS CA C 40 56.257 54.819 1.438 1
1 415 . 2 1 1 A 40 40 LYS HA H 40 4.392 4.516 -0.124 1
1 416 . 2 1 1 A 40 40 LYS CB C 40 33.006 32.860 0.146 1
1 427 . 2 1 1 A 40 40 LYS C C 40 176.346 175.954 0.392 1
1 428 . 2 1 1 A 41 41 SER N N 41 117.710 122.976 -5.266 1
1 429 . 2 1 1 A 41 41 SER H H 41 8.326 8.941 -0.615 1
1 430 . 2 1 1 A 41 41 SER CA C 41 58.775 59.614 -0.839 1
1 431 . 2 1 1 A 41 41 SER HA H 41 4.491 4.497 -0.006 1
1 432 . 2 1 1 A 41 41 SER CB C 41 63.841 64.395 -0.554 1
1 435 . 2 1 1 A 41 41 SER C C 41 173.882 174.488 -0.606 1
1 436 . 2 1 1 A 42 42 GLY N N 42 116.832 106.889 9.943 1
1 437 . 2 1 1 A 42 42 GLY H H 42 8.057 7.407 0.650 1
1 438 . 2 1 1 A 42 42 GLY CA C 42 44.640 45.018 -0.378 1
1 439 . 2 1 1 A 42 42 GLY HA2 H 42 4.144 4.098 0.046 1
1 440 . 2 1 1 A 42 42 GLY HA3 H 42 4.144 4.098 0.046 1
1 441 . 2 1 1 A 42 42 GLY C C 42 178.957 174.010 4.947 1
1 442 . 2 1 1 A 43 43 PRO CA C 43 63.377 64.018 -0.641 1
1 443 . 2 1 1 A 43 43 PRO HA H 43 4.491 4.538 -0.047 1
1 444 . 2 1 1 A 43 43 PRO CB C 43 32.201 31.880 0.321 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.660 46.079 -0.419 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.931 3.946 -0.015 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.931 3.946 -0.015 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.138 172.895 1.243 1
1 5 . 3 1 1 A 8 8 GLN N N 8 119.891 117.816 2.075 1
1 6 . 3 1 1 A 8 8 GLN H H 8 8.206 7.474 0.732 1
1 7 . 3 1 1 A 8 8 GLN CA C 8 55.820 54.536 1.284 1
1 8 . 3 1 1 A 8 8 GLN HA H 8 4.341 4.782 -0.441 1
1 9 . 3 1 1 A 8 8 GLN CB C 8 29.497 31.741 -2.244 1
1 18 . 3 1 1 A 8 8 GLN C C 8 176.071 174.940 1.131 1
1 19 . 3 1 1 A 9 9 LYS N N 9 122.781 123.818 -1.037 1
1 20 . 3 1 1 A 9 9 LYS H H 9 8.408 8.702 -0.294 1
1 21 . 3 1 1 A 9 9 LYS CA C 9 56.490 57.289 -0.799 1
1 22 . 3 1 1 A 9 9 LYS HA H 9 4.292 4.385 -0.093 1
1 23 . 3 1 1 A 9 9 LYS CB C 9 33.055 33.320 -0.265 1
1 35 . 3 1 1 A 9 9 LYS C C 9 176.568 176.376 0.192 1
1 36 . 3 1 1 A 10 10 GLU N N 10 121.884 117.725 4.159 1
1 37 . 3 1 1 A 10 10 GLU H H 10 8.435 7.954 0.481 1
1 38 . 3 1 1 A 10 10 GLU CA C 10 56.644 55.305 1.339 1
1 39 . 3 1 1 A 10 10 GLU HA H 10 4.239 4.715 -0.476 1
1 40 . 3 1 1 A 10 10 GLU CB C 10 30.349 31.325 -0.976 1
1 46 . 3 1 1 A 10 10 GLU C C 10 176.223 174.945 1.278 1
1 47 . 3 1 1 A 11 11 LYS N N 11 122.536 125.730 -3.194 1
1 48 . 3 1 1 A 11 11 LYS H H 11 8.406 8.796 -0.390 1
1 49 . 3 1 1 A 11 11 LYS CA C 11 56.095 55.399 0.696 1
1 50 . 3 1 1 A 11 11 LYS HA H 11 4.235 4.766 -0.531 1
1 51 . 3 1 1 A 11 11 LYS CB C 11 32.883 33.746 -0.863 1
1 63 . 3 1 1 A 11 11 LYS C C 11 175.448 174.494 0.954 1
1 64 . 3 1 1 A 12 12 CYS N N 12 119.041 124.540 -5.499 1
1 65 . 3 1 1 A 12 12 CYS H H 12 7.970 8.704 -0.734 1
1 66 . 3 1 1 A 12 12 CYS CA C 12 57.850 57.430 0.420 1
1 67 . 3 1 1 A 12 12 CYS HA H 12 4.523 5.086 -0.563 1
1 68 . 3 1 1 A 12 12 CYS CB C 12 28.790 29.672 -0.882 1
1 71 . 3 1 1 A 12 12 CYS C C 12 173.137 173.166 -0.029 1
1 72 . 3 1 1 A 13 13 PHE N N 13 123.659 126.116 -2.457 1
1 73 . 3 1 1 A 13 13 PHE H H 13 8.796 8.863 -0.067 1
1 74 . 3 1 1 A 13 13 PHE CA C 13 57.405 57.777 -0.372 1
1 75 . 3 1 1 A 13 13 PHE HA H 13 4.636 4.895 -0.259 1
1 76 . 3 1 1 A 13 13 PHE CB C 13 39.505 38.489 1.016 1
1 89 . 3 1 1 A 13 13 PHE C C 13 174.193 174.989 -0.796 1
1 90 . 3 1 1 A 14 14 LYS N N 14 125.302 125.540 -0.238 1
1 91 . 3 1 1 A 14 14 LYS H H 14 8.659 8.874 -0.215 1
1 92 . 3 1 1 A 14 14 LYS CA C 14 55.196 54.798 0.398 1
1 93 . 3 1 1 A 14 14 LYS HA H 14 4.831 5.228 -0.397 1
1 94 . 3 1 1 A 14 14 LYS CB C 14 35.042 34.937 0.105 1
1 105 . 3 1 1 A 14 14 LYS C C 14 175.026 176.095 -1.069 1
1 106 . 3 1 1 A 15 15 CYS N N 15 127.929 124.531 3.398 1
1 107 . 3 1 1 A 15 15 CYS H H 15 8.710 9.026 -0.316 1
1 108 . 3 1 1 A 15 15 CYS CA C 15 60.083 58.706 1.377 1
1 109 . 3 1 1 A 15 15 CYS HA H 15 4.578 4.730 -0.152 1
1 110 . 3 1 1 A 15 15 CYS CB C 15 29.646 29.445 0.201 1
1 113 . 3 1 1 A 15 15 CYS C C 15 175.715 174.710 1.005 1
1 114 . 3 1 1 A 16 16 ASN N N 16 126.460 122.117 4.343 1
1 115 . 3 1 1 A 16 16 ASN H H 16 9.033 8.811 0.222 1
1 116 . 3 1 1 A 16 16 ASN CA C 16 54.820 54.558 0.262 1
1 117 . 3 1 1 A 16 16 ASN HA H 16 4.728 4.891 -0.163 1
1 118 . 3 1 1 A 16 16 ASN CB C 16 38.681 39.305 -0.624 1
1 124 . 3 1 1 A 16 16 ASN C C 16 176.123 177.167 -1.044 1
1 125 . 3 1 1 A 17 17 LYS N N 17 121.823 118.393 3.430 1
1 126 . 3 1 1 A 17 17 LYS H H 17 9.444 8.171 1.273 1
1 127 . 3 1 1 A 17 17 LYS CA C 17 56.577 59.288 -2.711 1
1 128 . 3 1 1 A 17 17 LYS HA H 17 4.368 3.853 0.515 1
1 129 . 3 1 1 A 17 17 LYS CB C 17 33.308 31.768 1.540 1
1 141 . 3 1 1 A 17 17 LYS C C 17 176.102 179.102 -3.000 1
1 142 . 3 1 1 A 18 18 CYS N N 18 118.544 116.058 2.486 1
1 143 . 3 1 1 A 18 18 CYS H H 18 7.918 7.655 0.263 1
1 144 . 3 1 1 A 18 18 CYS CA C 18 58.610 60.648 -2.038 1
1 145 . 3 1 1 A 18 18 CYS HA H 18 5.016 4.392 0.624 1
1 146 . 3 1 1 A 18 18 CYS CB C 18 30.648 28.890 1.758 1
1 149 . 3 1 1 A 18 18 CYS C C 18 173.625 175.048 -1.423 1
1 150 . 3 1 1 A 19 19 GLU N N 19 115.419 116.460 -1.041 1
1 151 . 3 1 1 A 19 19 GLU H H 19 8.498 8.006 0.492 1
1 152 . 3 1 1 A 19 19 GLU CA C 19 57.672 57.690 -0.018 1
1 153 . 3 1 1 A 19 19 GLU HA H 19 4.229 4.223 0.006 1
1 154 . 3 1 1 A 19 19 GLU CB C 19 28.577 27.181 1.396 1
1 160 . 3 1 1 A 19 19 GLU C C 19 176.219 175.005 1.214 1
1 161 . 3 1 1 A 20 20 LYS N N 20 122.785 118.371 4.414 1
1 162 . 3 1 1 A 20 20 LYS H H 20 8.283 7.359 0.924 1
1 163 . 3 1 1 A 20 20 LYS CA C 20 58.127 54.781 3.346 1
1 164 . 3 1 1 A 20 20 LYS HA H 20 4.033 4.638 -0.605 1
1 165 . 3 1 1 A 20 20 LYS CB C 20 33.528 33.981 -0.453 1
1 177 . 3 1 1 A 20 20 LYS C C 20 174.855 176.460 -1.605 1
1 178 . 3 1 1 A 21 21 THR N N 21 110.456 113.861 -3.405 1
1 179 . 3 1 1 A 21 21 THR H H 21 7.497 8.344 -0.847 1
1 180 . 3 1 1 A 21 21 THR CA C 21 59.617 61.290 -1.673 1
1 181 . 3 1 1 A 21 21 THR HA H 21 5.051 4.814 0.237 1
1 182 . 3 1 1 A 21 21 THR CB C 21 71.680 70.231 1.449 1
1 188 . 3 1 1 A 21 21 THR C C 21 173.142 173.916 -0.774 1
1 189 . 3 1 1 A 22 22 PHE N N 22 117.251 120.379 -3.128 1
1 190 . 3 1 1 A 22 22 PHE H H 22 8.746 8.575 0.171 1
1 191 . 3 1 1 A 22 22 PHE CA C 22 57.180 56.540 0.640 1
1 192 . 3 1 1 A 22 22 PHE HA H 22 4.963 5.024 -0.061 1
1 193 . 3 1 1 A 22 22 PHE CB C 22 44.791 43.036 1.755 1
1 206 . 3 1 1 A 22 22 PHE C C 22 176.046 176.093 -0.047 1
1 207 . 3 1 1 A 23 23 SER CA C 23 59.336 61.253 -1.917 1
1 208 . 3 1 1 A 23 23 SER HA H 23 4.754 4.560 0.194 1
1 209 . 3 1 1 A 23 23 SER CB C 23 64.271 63.706 0.565 1
1 212 . 3 1 1 A 24 24 CYS N N 24 113.033 119.201 -6.168 1
1 213 . 3 1 1 A 24 24 CYS H H 24 7.330 8.446 -1.116 1
1 214 . 3 1 1 A 24 24 CYS CA C 24 56.095 57.991 -1.896 1
1 215 . 3 1 1 A 24 24 CYS HA H 24 4.482 5.041 -0.559 1
1 216 . 3 1 1 A 24 24 CYS CB C 24 30.326 30.912 -0.586 1
1 219 . 3 1 1 A 25 25 SER CA C 25 60.983 60.994 -0.011 1
1 220 . 3 1 1 A 25 25 SER HA H 25 3.348 3.510 -0.162 1
1 221 . 3 1 1 A 25 25 SER CB C 25 62.224 61.593 0.631 1
1 224 . 3 1 1 A 26 26 LYS H H 26 8.166 7.820 0.346 1
1 225 . 3 1 1 A 26 26 LYS CA C 26 59.574 59.255 0.319 1
1 226 . 3 1 1 A 26 26 LYS HA H 26 3.971 3.797 0.174 1
1 227 . 3 1 1 A 26 26 LYS CB C 26 31.930 32.218 -0.288 1
1 239 . 3 1 1 A 26 26 LYS C C 26 178.526 178.413 0.113 1
1 240 . 3 1 1 A 27 27 TYR N N 27 117.062 118.793 -1.731 1
1 241 . 3 1 1 A 27 27 TYR H H 27 6.995 7.560 -0.565 1
1 242 . 3 1 1 A 27 27 TYR CA C 27 57.700 60.320 -2.620 1
1 243 . 3 1 1 A 27 27 TYR HA H 27 4.498 4.268 0.230 1
1 244 . 3 1 1 A 27 27 TYR CB C 27 36.779 37.856 -1.077 1
1 255 . 3 1 1 A 27 27 TYR C C 27 178.560 177.943 0.617 1
1 256 . 3 1 1 A 28 28 LEU N N 28 122.433 120.961 1.472 1
1 257 . 3 1 1 A 28 28 LEU H H 28 7.156 7.365 -0.209 1
1 258 . 3 1 1 A 28 28 LEU CA C 28 58.234 57.938 0.296 1
1 259 . 3 1 1 A 28 28 LEU HA H 28 3.396 3.158 0.238 1
1 260 . 3 1 1 A 28 28 LEU CB C 28 40.519 41.408 -0.889 1
1 273 . 3 1 1 A 28 28 LEU C C 28 177.446 178.433 -0.987 1
1 274 . 3 1 1 A 29 29 THR N N 29 115.799 114.018 1.781 1
1 275 . 3 1 1 A 29 29 THR H H 29 8.543 8.299 0.244 1
1 276 . 3 1 1 A 29 29 THR CA C 29 66.539 66.202 0.337 1
1 277 . 3 1 1 A 29 29 THR HA H 29 3.972 3.717 0.255 1
1 278 . 3 1 1 A 29 29 THR CB C 29 68.701 68.364 0.337 1
1 284 . 3 1 1 A 29 29 THR C C 29 177.042 176.411 0.631 1
1 285 . 3 1 1 A 30 30 GLN N N 30 118.831 120.929 -2.098 1
1 286 . 3 1 1 A 30 30 GLN H H 30 7.568 8.042 -0.474 1
1 287 . 3 1 1 A 30 30 GLN CA C 30 58.801 58.900 -0.099 1
1 288 . 3 1 1 A 30 30 GLN HA H 30 3.971 3.883 0.088 1
1 289 . 3 1 1 A 30 30 GLN CB C 30 28.596 28.392 0.204 1
1 298 . 3 1 1 A 30 30 GLN C C 30 178.233 177.629 0.604 1
1 299 . 3 1 1 A 31 31 HIS N N 31 119.357 120.023 -0.666 1
1 300 . 3 1 1 A 31 31 HIS H H 31 7.565 8.119 -0.554 1
1 301 . 3 1 1 A 31 31 HIS CA C 31 59.086 59.815 -0.729 1
1 302 . 3 1 1 A 31 31 HIS HA H 31 4.227 4.110 0.117 1
1 303 . 3 1 1 A 31 31 HIS CB C 31 28.676 29.823 -1.147 1
1 310 . 3 1 1 A 31 31 HIS C C 31 176.294 176.506 -0.212 1
1 311 . 3 1 1 A 32 32 GLU N N 32 116.614 117.172 -0.558 1
1 312 . 3 1 1 A 32 32 GLU H H 32 8.508 8.830 -0.322 1
1 313 . 3 1 1 A 32 32 GLU CA C 32 60.064 60.061 0.003 1
1 314 . 3 1 1 A 32 32 GLU HA H 32 3.695 4.140 -0.445 1
1 315 . 3 1 1 A 32 32 GLU CB C 32 29.809 29.477 0.332 1
1 321 . 3 1 1 A 32 32 GLU C C 32 178.085 179.043 -0.958 1
1 322 . 3 1 1 A 33 33 ARG N N 33 116.851 119.492 -2.641 1
1 323 . 3 1 1 A 33 33 ARG H H 33 7.041 8.055 -1.014 1
1 324 . 3 1 1 A 33 33 ARG CA C 33 58.355 58.931 -0.576 1
1 325 . 3 1 1 A 33 33 ARG HA H 33 4.121 4.205 -0.084 1
1 326 . 3 1 1 A 33 33 ARG CB C 33 30.200 29.883 0.317 1
1 335 . 3 1 1 A 33 33 ARG C C 33 178.487 178.489 -0.002 1
1 336 . 3 1 1 A 34 34 ILE N N 34 116.576 117.622 -1.046 1
1 337 . 3 1 1 A 34 34 ILE H H 34 7.947 8.047 -0.100 1
1 338 . 3 1 1 A 34 34 ILE CA C 34 63.154 64.058 -0.904 1
1 339 . 3 1 1 A 34 34 ILE HA H 34 3.952 3.744 0.208 1
1 340 . 3 1 1 A 34 34 ILE CB C 34 37.652 37.177 0.475 1
1 353 . 3 1 1 A 34 34 ILE C C 34 177.459 177.459 0.000 1
1 354 . 3 1 1 A 35 35 HIS N N 35 117.114 119.592 -2.478 1
1 355 . 3 1 1 A 35 35 HIS H H 35 7.243 7.289 -0.046 1
1 356 . 3 1 1 A 35 35 HIS CA C 35 55.496 58.980 -3.484 1
1 357 . 3 1 1 A 35 35 HIS HA H 35 4.776 4.421 0.355 1
1 358 . 3 1 1 A 35 35 HIS CB C 35 28.583 30.570 -1.987 1
1 365 . 3 1 1 A 35 35 HIS C C 35 175.451 175.624 -0.173 1
1 366 . 3 1 1 A 36 36 THR N N 36 112.873 111.126 1.747 1
1 367 . 3 1 1 A 36 36 THR H H 36 7.691 7.336 0.355 1
1 368 . 3 1 1 A 36 36 THR CA C 36 62.256 62.505 -0.249 1
1 369 . 3 1 1 A 36 36 THR HA H 36 4.377 4.183 0.194 1
1 370 . 3 1 1 A 36 36 THR CB C 36 69.760 69.365 0.395 1
1 376 . 3 1 1 A 36 36 THR C C 36 174.552 174.513 0.039 1
1 377 . 3 1 1 A 37 37 ARG N N 37 122.792 124.637 -1.845 1
1 378 . 3 1 1 A 37 37 ARG H H 37 8.176 8.926 -0.750 1
1 379 . 3 1 1 A 37 37 ARG CA C 37 56.728 57.163 -0.435 1
1 380 . 3 1 1 A 37 37 ARG HA H 37 4.369 4.418 -0.049 1
1 381 . 3 1 1 A 37 37 ARG CB C 37 30.703 30.855 -0.152 1
1 390 . 3 1 1 A 37 37 ARG C C 37 176.742 177.135 -0.393 1
1 391 . 3 1 1 A 38 38 GLY N N 38 110.024 107.664 2.360 1
1 392 . 3 1 1 A 38 38 GLY H H 38 8.396 8.135 0.261 1
1 393 . 3 1 1 A 38 38 GLY CA C 38 45.327 46.528 -1.201 1
1 394 . 3 1 1 A 38 38 GLY HA2 H 38 3.983 3.948 0.035 1
1 395 . 3 1 1 A 38 38 GLY HA3 H 38 3.983 3.950 0.033 1
1 396 . 3 1 1 A 38 38 GLY C C 38 174.010 174.787 -0.777 1
1 397 . 3 1 1 A 39 39 VAL N N 39 119.355 123.148 -3.793 1
1 398 . 3 1 1 A 39 39 VAL H H 39 7.972 8.638 -0.666 1
1 399 . 3 1 1 A 39 39 VAL CA C 39 62.275 63.143 -0.868 1
1 400 . 3 1 1 A 39 39 VAL HA H 39 4.134 3.842 0.292 1
1 401 . 3 1 1 A 39 39 VAL CB C 39 32.877 29.683 3.194 1
1 411 . 3 1 1 A 39 39 VAL C C 39 176.275 175.567 0.708 1
1 412 . 3 1 1 A 40 40 LYS N N 40 125.416 122.340 3.076 1
1 413 . 3 1 1 A 40 40 LYS H H 40 8.482 7.738 0.744 1
1 414 . 3 1 1 A 40 40 LYS CA C 40 56.257 56.536 -0.279 1
1 415 . 3 1 1 A 40 40 LYS HA H 40 4.392 4.425 -0.033 1
1 416 . 3 1 1 A 40 40 LYS CB C 40 33.006 32.889 0.117 1
1 427 . 3 1 1 A 40 40 LYS C C 40 176.346 175.663 0.683 1
1 428 . 3 1 1 A 41 41 SER N N 41 117.710 117.584 0.126 1
1 429 . 3 1 1 A 41 41 SER H H 41 8.326 8.673 -0.347 1
1 430 . 3 1 1 A 41 41 SER CA C 41 58.775 56.667 2.108 1
1 431 . 3 1 1 A 41 41 SER HA H 41 4.491 4.788 -0.297 1
1 432 . 3 1 1 A 41 41 SER CB C 41 63.841 64.415 -0.574 1
1 435 . 3 1 1 A 41 41 SER C C 41 173.882 173.721 0.161 1
1 436 . 3 1 1 A 42 42 GLY N N 42 116.832 116.654 0.178 1
1 437 . 3 1 1 A 42 42 GLY H H 42 8.057 8.414 -0.357 1
1 438 . 3 1 1 A 42 42 GLY CA C 42 44.640 44.373 0.267 1
1 439 . 3 1 1 A 42 42 GLY HA2 H 42 4.144 4.120 0.024 1
1 440 . 3 1 1 A 42 42 GLY HA3 H 42 4.144 4.120 0.024 1
1 441 . 3 1 1 A 42 42 GLY C C 42 178.957 173.870 5.087 1
1 442 . 3 1 1 A 43 43 PRO CA C 43 63.377 64.775 -1.398 1
1 443 . 3 1 1 A 43 43 PRO HA H 43 4.491 4.383 0.108 1
1 444 . 3 1 1 A 43 43 PRO CB C 43 32.201 31.795 0.406 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.660 45.611 0.049 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.931 4.034 -0.103 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.931 4.035 -0.104 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.138 174.811 -0.673 1
1 5 . 4 1 1 A 8 8 GLN N N 8 119.891 120.776 -0.885 1
1 6 . 4 1 1 A 8 8 GLN H H 8 8.206 8.239 -0.033 1
1 7 . 4 1 1 A 8 8 GLN CA C 8 55.820 55.464 0.356 1
1 8 . 4 1 1 A 8 8 GLN HA H 8 4.341 4.238 0.103 1
1 9 . 4 1 1 A 8 8 GLN CB C 8 29.497 28.191 1.306 1
1 18 . 4 1 1 A 8 8 GLN C C 8 176.071 176.758 -0.687 1
1 19 . 4 1 1 A 9 9 LYS N N 9 122.781 120.287 2.494 1
1 20 . 4 1 1 A 9 9 LYS H H 9 8.408 7.788 0.620 1
1 21 . 4 1 1 A 9 9 LYS CA C 9 56.490 58.411 -1.921 1
1 22 . 4 1 1 A 9 9 LYS HA H 9 4.292 4.096 0.196 1
1 23 . 4 1 1 A 9 9 LYS CB C 9 33.055 33.648 -0.593 1
1 35 . 4 1 1 A 9 9 LYS C C 9 176.568 176.119 0.449 1
1 36 . 4 1 1 A 10 10 GLU N N 10 121.884 118.068 3.816 1
1 37 . 4 1 1 A 10 10 GLU H H 10 8.435 7.668 0.767 1
1 38 . 4 1 1 A 10 10 GLU CA C 10 56.644 56.060 0.584 1
1 39 . 4 1 1 A 10 10 GLU HA H 10 4.239 4.657 -0.418 1
1 40 . 4 1 1 A 10 10 GLU CB C 10 30.349 33.149 -2.800 1
1 46 . 4 1 1 A 10 10 GLU C C 10 176.223 173.530 2.693 1
1 47 . 4 1 1 A 11 11 LYS N N 11 122.536 126.387 -3.851 1
1 48 . 4 1 1 A 11 11 LYS H H 11 8.406 8.767 -0.361 1
1 49 . 4 1 1 A 11 11 LYS CA C 11 56.095 54.665 1.430 1
1 50 . 4 1 1 A 11 11 LYS HA H 11 4.235 5.084 -0.849 1
1 51 . 4 1 1 A 11 11 LYS CB C 11 32.883 35.412 -2.529 1
1 63 . 4 1 1 A 11 11 LYS C C 11 175.448 174.884 0.564 1
1 64 . 4 1 1 A 12 12 CYS N N 12 119.041 123.182 -4.141 1
1 65 . 4 1 1 A 12 12 CYS H H 12 7.970 8.265 -0.295 1
1 66 . 4 1 1 A 12 12 CYS CA C 12 57.850 57.706 0.144 1
1 67 . 4 1 1 A 12 12 CYS HA H 12 4.523 5.035 -0.512 1
1 68 . 4 1 1 A 12 12 CYS CB C 12 28.790 31.256 -2.466 1
1 71 . 4 1 1 A 12 12 CYS C C 12 173.137 172.383 0.754 1
1 72 . 4 1 1 A 13 13 PHE N N 13 123.659 122.092 1.567 1
1 73 . 4 1 1 A 13 13 PHE H H 13 8.796 8.690 0.106 1
1 74 . 4 1 1 A 13 13 PHE CA C 13 57.405 56.672 0.733 1
1 75 . 4 1 1 A 13 13 PHE HA H 13 4.636 5.145 -0.509 1
1 76 . 4 1 1 A 13 13 PHE CB C 13 39.505 41.111 -1.606 1
1 89 . 4 1 1 A 13 13 PHE C C 13 174.193 174.235 -0.042 1
1 90 . 4 1 1 A 14 14 LYS N N 14 125.302 124.987 0.315 1
1 91 . 4 1 1 A 14 14 LYS H H 14 8.659 9.189 -0.530 1
1 92 . 4 1 1 A 14 14 LYS CA C 14 55.196 54.550 0.646 1
1 93 . 4 1 1 A 14 14 LYS HA H 14 4.831 5.546 -0.715 1
1 94 . 4 1 1 A 14 14 LYS CB C 14 35.042 35.062 -0.020 1
1 105 . 4 1 1 A 14 14 LYS C C 14 175.026 175.297 -0.271 1
1 106 . 4 1 1 A 15 15 CYS N N 15 127.929 122.967 4.962 1
1 107 . 4 1 1 A 15 15 CYS H H 15 8.710 8.487 0.223 1
1 108 . 4 1 1 A 15 15 CYS CA C 15 60.083 57.625 2.458 1
1 109 . 4 1 1 A 15 15 CYS HA H 15 4.578 4.844 -0.266 1
1 110 . 4 1 1 A 15 15 CYS CB C 15 29.646 30.404 -0.758 1
1 113 . 4 1 1 A 15 15 CYS C C 15 175.715 174.681 1.034 1
1 114 . 4 1 1 A 16 16 ASN N N 16 126.460 123.369 3.091 1
1 115 . 4 1 1 A 16 16 ASN H H 16 9.033 8.900 0.133 1
1 116 . 4 1 1 A 16 16 ASN CA C 16 54.820 54.797 0.023 1
1 117 . 4 1 1 A 16 16 ASN HA H 16 4.728 4.862 -0.134 1
1 118 . 4 1 1 A 16 16 ASN CB C 16 38.681 40.047 -1.366 1
1 124 . 4 1 1 A 16 16 ASN C C 16 176.123 177.366 -1.243 1
1 125 . 4 1 1 A 17 17 LYS N N 17 121.823 117.767 4.056 1
1 126 . 4 1 1 A 17 17 LYS H H 17 9.444 8.184 1.260 1
1 127 . 4 1 1 A 17 17 LYS CA C 17 56.577 59.274 -2.697 1
1 128 . 4 1 1 A 17 17 LYS HA H 17 4.368 3.846 0.522 1
1 129 . 4 1 1 A 17 17 LYS CB C 17 33.308 31.786 1.522 1
1 141 . 4 1 1 A 17 17 LYS C C 17 176.102 179.037 -2.935 1
1 142 . 4 1 1 A 18 18 CYS N N 18 118.544 117.097 1.447 1
1 143 . 4 1 1 A 18 18 CYS H H 18 7.918 7.657 0.261 1
1 144 . 4 1 1 A 18 18 CYS CA C 18 58.610 60.678 -2.068 1
1 145 . 4 1 1 A 18 18 CYS HA H 18 5.016 4.341 0.675 1
1 146 . 4 1 1 A 18 18 CYS CB C 18 30.648 28.631 2.017 1
1 149 . 4 1 1 A 18 18 CYS C C 18 173.625 175.002 -1.377 1
1 150 . 4 1 1 A 19 19 GLU N N 19 115.419 116.359 -0.940 1
1 151 . 4 1 1 A 19 19 GLU H H 19 8.498 8.023 0.475 1
1 152 . 4 1 1 A 19 19 GLU CA C 19 57.672 57.615 0.057 1
1 153 . 4 1 1 A 19 19 GLU HA H 19 4.229 4.219 0.010 1
1 154 . 4 1 1 A 19 19 GLU CB C 19 28.577 27.161 1.416 1
1 160 . 4 1 1 A 19 19 GLU C C 19 176.219 174.991 1.228 1
1 161 . 4 1 1 A 20 20 LYS N N 20 122.785 118.372 4.413 1
1 162 . 4 1 1 A 20 20 LYS H H 20 8.283 7.366 0.917 1
1 163 . 4 1 1 A 20 20 LYS CA C 20 58.127 54.933 3.194 1
1 164 . 4 1 1 A 20 20 LYS HA H 20 4.033 4.582 -0.549 1
1 165 . 4 1 1 A 20 20 LYS CB C 20 33.528 33.795 -0.267 1
1 177 . 4 1 1 A 20 20 LYS C C 20 174.855 176.482 -1.627 1
1 178 . 4 1 1 A 21 21 THR N N 21 110.456 113.722 -3.266 1
1 179 . 4 1 1 A 21 21 THR H H 21 7.497 8.260 -0.763 1
1 180 . 4 1 1 A 21 21 THR CA C 21 59.617 61.222 -1.605 1
1 181 . 4 1 1 A 21 21 THR HA H 21 5.051 4.804 0.247 1
1 182 . 4 1 1 A 21 21 THR CB C 21 71.680 70.146 1.534 1
1 188 . 4 1 1 A 21 21 THR C C 21 173.142 173.787 -0.645 1
1 189 . 4 1 1 A 22 22 PHE N N 22 117.251 120.282 -3.031 1
1 190 . 4 1 1 A 22 22 PHE H H 22 8.746 9.020 -0.274 1
1 191 . 4 1 1 A 22 22 PHE CA C 22 57.180 56.506 0.674 1
1 192 . 4 1 1 A 22 22 PHE HA H 22 4.963 4.949 0.014 1
1 193 . 4 1 1 A 22 22 PHE CB C 22 44.791 43.551 1.240 1
1 206 . 4 1 1 A 22 22 PHE C C 22 176.046 176.042 0.004 1
1 207 . 4 1 1 A 23 23 SER CA C 23 59.336 61.305 -1.969 1
1 208 . 4 1 1 A 23 23 SER HA H 23 4.754 4.552 0.202 1
1 209 . 4 1 1 A 23 23 SER CB C 23 64.271 64.069 0.202 1
1 212 . 4 1 1 A 24 24 CYS N N 24 113.033 117.872 -4.839 1
1 213 . 4 1 1 A 24 24 CYS H H 24 7.330 8.176 -0.846 1
1 214 . 4 1 1 A 24 24 CYS CA C 24 56.095 56.800 -0.705 1
1 215 . 4 1 1 A 24 24 CYS HA H 24 4.482 5.002 -0.520 1
1 216 . 4 1 1 A 24 24 CYS CB C 24 30.326 30.497 -0.171 1
1 219 . 4 1 1 A 25 25 SER CA C 25 60.983 60.832 0.151 1
1 220 . 4 1 1 A 25 25 SER HA H 25 3.348 3.705 -0.357 1
1 221 . 4 1 1 A 25 25 SER CB C 25 62.224 62.417 -0.193 1
1 224 . 4 1 1 A 26 26 LYS H H 26 8.166 7.877 0.289 1
1 225 . 4 1 1 A 26 26 LYS CA C 26 59.574 58.412 1.162 1
1 226 . 4 1 1 A 26 26 LYS HA H 26 3.971 4.000 -0.029 1
1 227 . 4 1 1 A 26 26 LYS CB C 26 31.930 31.543 0.387 1
1 239 . 4 1 1 A 26 26 LYS C C 26 178.526 177.547 0.979 1
1 240 . 4 1 1 A 27 27 TYR N N 27 117.062 118.339 -1.277 1
1 241 . 4 1 1 A 27 27 TYR H H 27 6.995 7.409 -0.414 1
1 242 . 4 1 1 A 27 27 TYR CA C 27 57.700 60.073 -2.373 1
1 243 . 4 1 1 A 27 27 TYR HA H 27 4.498 4.328 0.170 1
1 244 . 4 1 1 A 27 27 TYR CB C 27 36.779 39.443 -2.664 1
1 255 . 4 1 1 A 27 27 TYR C C 27 178.560 177.948 0.612 1
1 256 . 4 1 1 A 28 28 LEU N N 28 122.433 122.065 0.368 1
1 257 . 4 1 1 A 28 28 LEU H H 28 7.156 8.327 -1.171 1
1 258 . 4 1 1 A 28 28 LEU CA C 28 58.234 57.562 0.672 1
1 259 . 4 1 1 A 28 28 LEU HA H 28 3.396 3.533 -0.137 1
1 260 . 4 1 1 A 28 28 LEU CB C 28 40.519 41.566 -1.047 1
1 273 . 4 1 1 A 28 28 LEU C C 28 177.446 178.515 -1.069 1
1 274 . 4 1 1 A 29 29 THR N N 29 115.799 114.315 1.484 1
1 275 . 4 1 1 A 29 29 THR H H 29 8.543 8.217 0.326 1
1 276 . 4 1 1 A 29 29 THR CA C 29 66.539 66.055 0.484 1
1 277 . 4 1 1 A 29 29 THR HA H 29 3.972 3.754 0.218 1
1 278 . 4 1 1 A 29 29 THR CB C 29 68.701 68.579 0.122 1
1 284 . 4 1 1 A 29 29 THR C C 29 177.042 176.607 0.435 1
1 285 . 4 1 1 A 30 30 GLN N N 30 118.831 118.731 0.100 1
1 286 . 4 1 1 A 30 30 GLN H H 30 7.568 8.158 -0.590 1
1 287 . 4 1 1 A 30 30 GLN CA C 30 58.801 58.910 -0.109 1
1 288 . 4 1 1 A 30 30 GLN HA H 30 3.971 3.941 0.030 1
1 289 . 4 1 1 A 30 30 GLN CB C 30 28.596 28.230 0.366 1
1 298 . 4 1 1 A 30 30 GLN C C 30 178.233 178.184 0.049 1
1 299 . 4 1 1 A 31 31 HIS N N 31 119.357 120.015 -0.658 1
1 300 . 4 1 1 A 31 31 HIS H H 31 7.565 7.735 -0.170 1
1 301 . 4 1 1 A 31 31 HIS CA C 31 59.086 59.660 -0.574 1
1 302 . 4 1 1 A 31 31 HIS HA H 31 4.227 4.100 0.127 1
1 303 . 4 1 1 A 31 31 HIS CB C 31 28.676 29.853 -1.177 1
1 310 . 4 1 1 A 31 31 HIS C C 31 176.294 176.454 -0.160 1
1 311 . 4 1 1 A 32 32 GLU N N 32 116.614 117.379 -0.765 1
1 312 . 4 1 1 A 32 32 GLU H H 32 8.508 8.814 -0.306 1
1 313 . 4 1 1 A 32 32 GLU CA C 32 60.064 59.943 0.121 1
1 314 . 4 1 1 A 32 32 GLU HA H 32 3.695 4.068 -0.373 1
1 315 . 4 1 1 A 32 32 GLU CB C 32 29.809 29.381 0.428 1
1 321 . 4 1 1 A 32 32 GLU C C 32 178.085 179.025 -0.940 1
1 322 . 4 1 1 A 33 33 ARG N N 33 116.851 119.499 -2.648 1
1 323 . 4 1 1 A 33 33 ARG H H 33 7.041 7.832 -0.791 1
1 324 . 4 1 1 A 33 33 ARG CA C 33 58.355 58.955 -0.600 1
1 325 . 4 1 1 A 33 33 ARG HA H 33 4.121 3.982 0.139 1
1 326 . 4 1 1 A 33 33 ARG CB C 33 30.200 29.818 0.382 1
1 335 . 4 1 1 A 33 33 ARG C C 33 178.487 178.814 -0.327 1
1 336 . 4 1 1 A 34 34 ILE N N 34 116.576 117.752 -1.176 1
1 337 . 4 1 1 A 34 34 ILE H H 34 7.947 8.106 -0.159 1
1 338 . 4 1 1 A 34 34 ILE CA C 34 63.154 63.816 -0.662 1
1 339 . 4 1 1 A 34 34 ILE HA H 34 3.952 3.783 0.169 1
1 340 . 4 1 1 A 34 34 ILE CB C 34 37.652 37.220 0.432 1
1 353 . 4 1 1 A 34 34 ILE C C 34 177.459 176.402 1.057 1
1 354 . 4 1 1 A 35 35 HIS N N 35 117.114 120.428 -3.314 1
1 355 . 4 1 1 A 35 35 HIS H H 35 7.243 7.463 -0.220 1
1 356 . 4 1 1 A 35 35 HIS CA C 35 55.496 54.783 0.713 1
1 357 . 4 1 1 A 35 35 HIS HA H 35 4.776 4.661 0.115 1
1 358 . 4 1 1 A 35 35 HIS CB C 35 28.583 27.915 0.668 1
1 365 . 4 1 1 A 35 35 HIS C C 35 175.451 173.866 1.585 1
1 366 . 4 1 1 A 36 36 THR N N 36 112.873 112.200 0.673 1
1 367 . 4 1 1 A 36 36 THR H H 36 7.691 8.026 -0.335 1
1 368 . 4 1 1 A 36 36 THR CA C 36 62.256 60.570 1.686 1
1 369 . 4 1 1 A 36 36 THR HA H 36 4.377 4.958 -0.581 1
1 370 . 4 1 1 A 36 36 THR CB C 36 69.760 71.599 -1.839 1
1 376 . 4 1 1 A 36 36 THR C C 36 174.552 172.321 2.231 1
1 377 . 4 1 1 A 37 37 ARG N N 37 122.792 123.997 -1.205 1
1 378 . 4 1 1 A 37 37 ARG H H 37 8.176 8.841 -0.665 1
1 379 . 4 1 1 A 37 37 ARG CA C 37 56.728 54.592 2.136 1
1 380 . 4 1 1 A 37 37 ARG HA H 37 4.369 4.680 -0.311 1
1 381 . 4 1 1 A 37 37 ARG CB C 37 30.703 31.617 -0.914 1
1 390 . 4 1 1 A 37 37 ARG C C 37 176.742 175.579 1.163 1
1 391 . 4 1 1 A 38 38 GLY N N 38 110.024 113.884 -3.860 1
1 392 . 4 1 1 A 38 38 GLY H H 38 8.396 8.657 -0.261 1
1 393 . 4 1 1 A 38 38 GLY CA C 38 45.327 47.035 -1.708 1
1 394 . 4 1 1 A 38 38 GLY HA2 H 38 3.983 3.892 0.091 1
1 395 . 4 1 1 A 38 38 GLY HA3 H 38 3.983 3.894 0.089 1
1 396 . 4 1 1 A 38 38 GLY C C 38 174.010 173.544 0.466 1
1 397 . 4 1 1 A 39 39 VAL N N 39 119.355 119.391 -0.036 1
1 398 . 4 1 1 A 39 39 VAL H H 39 7.972 7.711 0.261 1
1 399 . 4 1 1 A 39 39 VAL CA C 39 62.275 60.127 2.148 1
1 400 . 4 1 1 A 39 39 VAL HA H 39 4.134 4.412 -0.278 1
1 401 . 4 1 1 A 39 39 VAL CB C 39 32.877 34.807 -1.930 1
1 411 . 4 1 1 A 39 39 VAL C C 39 176.275 174.457 1.818 1
1 412 . 4 1 1 A 40 40 LYS N N 40 125.416 125.894 -0.478 1
1 413 . 4 1 1 A 40 40 LYS H H 40 8.482 8.689 -0.207 1
1 414 . 4 1 1 A 40 40 LYS CA C 40 56.257 56.848 -0.591 1
1 415 . 4 1 1 A 40 40 LYS HA H 40 4.392 3.763 0.629 1
1 416 . 4 1 1 A 40 40 LYS CB C 40 33.006 30.147 2.859 1
1 427 . 4 1 1 A 40 40 LYS C C 40 176.346 175.295 1.051 1
1 428 . 4 1 1 A 41 41 SER N N 41 117.710 112.181 5.529 1
1 429 . 4 1 1 A 41 41 SER H H 41 8.326 7.740 0.586 1
1 430 . 4 1 1 A 41 41 SER CA C 41 58.775 57.919 0.856 1
1 431 . 4 1 1 A 41 41 SER HA H 41 4.491 4.384 0.107 1
1 432 . 4 1 1 A 41 41 SER CB C 41 63.841 64.339 -0.498 1
1 435 . 4 1 1 A 41 41 SER C C 41 173.882 174.603 -0.721 1
1 436 . 4 1 1 A 42 42 GLY N N 42 116.832 108.592 8.240 1
1 437 . 4 1 1 A 42 42 GLY H H 42 8.057 8.496 -0.439 1
1 438 . 4 1 1 A 42 42 GLY CA C 42 44.640 45.129 -0.489 1
1 439 . 4 1 1 A 42 42 GLY HA2 H 42 4.144 4.018 0.126 1
1 440 . 4 1 1 A 42 42 GLY HA3 H 42 4.144 4.018 0.126 1
1 441 . 4 1 1 A 42 42 GLY C C 42 178.957 173.187 5.770 1
1 442 . 4 1 1 A 43 43 PRO CA C 43 63.377 62.787 0.590 1
1 443 . 4 1 1 A 43 43 PRO HA H 43 4.491 4.721 -0.230 1
1 444 . 4 1 1 A 43 43 PRO CB C 43 32.201 32.879 -0.678 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.660 46.096 -0.436 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.931 3.903 0.028 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.931 3.906 0.025 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.138 174.870 -0.732 1
1 5 . 5 1 1 A 8 8 GLN N N 8 119.891 125.074 -5.183 1
1 6 . 5 1 1 A 8 8 GLN H H 8 8.206 8.745 -0.539 1
1 7 . 5 1 1 A 8 8 GLN CA C 8 55.820 57.662 -1.842 1
1 8 . 5 1 1 A 8 8 GLN HA H 8 4.341 4.420 -0.079 1
1 9 . 5 1 1 A 8 8 GLN CB C 8 29.497 30.230 -0.733 1
1 18 . 5 1 1 A 8 8 GLN C C 8 176.071 176.239 -0.168 1
1 19 . 5 1 1 A 9 9 LYS N N 9 122.781 116.433 6.348 1
1 20 . 5 1 1 A 9 9 LYS H H 9 8.408 7.857 0.551 1
1 21 . 5 1 1 A 9 9 LYS CA C 9 56.490 55.711 0.779 1
1 22 . 5 1 1 A 9 9 LYS HA H 9 4.292 4.370 -0.078 1
1 23 . 5 1 1 A 9 9 LYS CB C 9 33.055 32.050 1.005 1
1 35 . 5 1 1 A 9 9 LYS C C 9 176.568 175.159 1.409 1
1 36 . 5 1 1 A 10 10 GLU N N 10 121.884 124.997 -3.113 1
1 37 . 5 1 1 A 10 10 GLU H H 10 8.435 8.635 -0.200 1
1 38 . 5 1 1 A 10 10 GLU CA C 10 56.644 55.071 1.573 1
1 39 . 5 1 1 A 10 10 GLU HA H 10 4.239 4.788 -0.549 1
1 40 . 5 1 1 A 10 10 GLU CB C 10 30.349 30.320 0.029 1
1 46 . 5 1 1 A 10 10 GLU C C 10 176.223 175.050 1.173 1
1 47 . 5 1 1 A 11 11 LYS N N 11 122.536 124.547 -2.011 1
1 48 . 5 1 1 A 11 11 LYS H H 11 8.406 8.444 -0.038 1
1 49 . 5 1 1 A 11 11 LYS CA C 11 56.095 56.493 -0.398 1
1 50 . 5 1 1 A 11 11 LYS HA H 11 4.235 3.994 0.241 1
1 51 . 5 1 1 A 11 11 LYS CB C 11 32.883 32.734 0.149 1
1 63 . 5 1 1 A 11 11 LYS C C 11 175.448 176.323 -0.875 1
1 64 . 5 1 1 A 12 12 CYS N N 12 119.041 120.608 -1.567 1
1 65 . 5 1 1 A 12 12 CYS H H 12 7.970 8.088 -0.118 1
1 66 . 5 1 1 A 12 12 CYS CA C 12 57.850 56.161 1.689 1
1 67 . 5 1 1 A 12 12 CYS HA H 12 4.523 5.292 -0.769 1
1 68 . 5 1 1 A 12 12 CYS CB C 12 28.790 31.785 -2.995 1
1 71 . 5 1 1 A 12 12 CYS C C 12 173.137 172.910 0.227 1
1 72 . 5 1 1 A 13 13 PHE N N 13 123.659 120.285 3.374 1
1 73 . 5 1 1 A 13 13 PHE H H 13 8.796 9.073 -0.277 1
1 74 . 5 1 1 A 13 13 PHE CA C 13 57.405 56.374 1.031 1
1 75 . 5 1 1 A 13 13 PHE HA H 13 4.636 5.061 -0.425 1
1 76 . 5 1 1 A 13 13 PHE CB C 13 39.505 41.867 -2.362 1
1 89 . 5 1 1 A 13 13 PHE C C 13 174.193 174.150 0.043 1
1 90 . 5 1 1 A 14 14 LYS N N 14 125.302 125.140 0.162 1
1 91 . 5 1 1 A 14 14 LYS H H 14 8.659 9.135 -0.476 1
1 92 . 5 1 1 A 14 14 LYS CA C 14 55.196 55.157 0.039 1
1 93 . 5 1 1 A 14 14 LYS HA H 14 4.831 5.379 -0.548 1
1 94 . 5 1 1 A 14 14 LYS CB C 14 35.042 34.178 0.864 1
1 105 . 5 1 1 A 14 14 LYS C C 14 175.026 176.203 -1.177 1
1 106 . 5 1 1 A 15 15 CYS N N 15 127.929 124.585 3.344 1
1 107 . 5 1 1 A 15 15 CYS H H 15 8.710 8.733 -0.023 1
1 108 . 5 1 1 A 15 15 CYS CA C 15 60.083 58.047 2.036 1
1 109 . 5 1 1 A 15 15 CYS HA H 15 4.578 4.704 -0.126 1
1 110 . 5 1 1 A 15 15 CYS CB C 15 29.646 29.699 -0.053 1
1 113 . 5 1 1 A 15 15 CYS C C 15 175.715 174.245 1.470 1
1 114 . 5 1 1 A 16 16 ASN N N 16 126.460 123.101 3.359 1
1 115 . 5 1 1 A 16 16 ASN H H 16 9.033 8.950 0.083 1
1 116 . 5 1 1 A 16 16 ASN CA C 16 54.820 54.549 0.271 1
1 117 . 5 1 1 A 16 16 ASN HA H 16 4.728 4.886 -0.158 1
1 118 . 5 1 1 A 16 16 ASN CB C 16 38.681 40.247 -1.566 1
1 124 . 5 1 1 A 16 16 ASN C C 16 176.123 177.058 -0.935 1
1 125 . 5 1 1 A 17 17 LYS N N 17 121.823 118.717 3.106 1
1 126 . 5 1 1 A 17 17 LYS H H 17 9.444 7.970 1.474 1
1 127 . 5 1 1 A 17 17 LYS CA C 17 56.577 59.555 -2.978 1
1 128 . 5 1 1 A 17 17 LYS HA H 17 4.368 3.885 0.483 1
1 129 . 5 1 1 A 17 17 LYS CB C 17 33.308 31.873 1.435 1
1 141 . 5 1 1 A 17 17 LYS C C 17 176.102 178.566 -2.464 1
1 142 . 5 1 1 A 18 18 CYS N N 18 118.544 116.439 2.105 1
1 143 . 5 1 1 A 18 18 CYS H H 18 7.918 7.606 0.312 1
1 144 . 5 1 1 A 18 18 CYS CA C 18 58.610 60.602 -1.992 1
1 145 . 5 1 1 A 18 18 CYS HA H 18 5.016 4.401 0.615 1
1 146 . 5 1 1 A 18 18 CYS CB C 18 30.648 28.749 1.899 1
1 149 . 5 1 1 A 18 18 CYS C C 18 173.625 175.211 -1.586 1
1 150 . 5 1 1 A 19 19 GLU N N 19 115.419 116.411 -0.992 1
1 151 . 5 1 1 A 19 19 GLU H H 19 8.498 8.047 0.451 1
1 152 . 5 1 1 A 19 19 GLU CA C 19 57.672 57.639 0.033 1
1 153 . 5 1 1 A 19 19 GLU HA H 19 4.229 4.266 -0.037 1
1 154 . 5 1 1 A 19 19 GLU CB C 19 28.577 27.180 1.397 1
1 160 . 5 1 1 A 19 19 GLU C C 19 176.219 174.963 1.256 1
1 161 . 5 1 1 A 20 20 LYS N N 20 122.785 118.213 4.572 1
1 162 . 5 1 1 A 20 20 LYS H H 20 8.283 7.341 0.942 1
1 163 . 5 1 1 A 20 20 LYS CA C 20 58.127 54.568 3.559 1
1 164 . 5 1 1 A 20 20 LYS HA H 20 4.033 4.850 -0.817 1
1 165 . 5 1 1 A 20 20 LYS CB C 20 33.528 34.420 -0.892 1
1 177 . 5 1 1 A 20 20 LYS C C 20 174.855 176.716 -1.861 1
1 178 . 5 1 1 A 21 21 THR N N 21 110.456 114.119 -3.663 1
1 179 . 5 1 1 A 21 21 THR H H 21 7.497 8.487 -0.990 1
1 180 . 5 1 1 A 21 21 THR CA C 21 59.617 61.414 -1.797 1
1 181 . 5 1 1 A 21 21 THR HA H 21 5.051 4.896 0.155 1
1 182 . 5 1 1 A 21 21 THR CB C 21 71.680 70.144 1.536 1
1 188 . 5 1 1 A 21 21 THR C C 21 173.142 173.954 -0.812 1
1 189 . 5 1 1 A 22 22 PHE N N 22 117.251 119.791 -2.540 1
1 190 . 5 1 1 A 22 22 PHE H H 22 8.746 9.109 -0.363 1
1 191 . 5 1 1 A 22 22 PHE CA C 22 57.180 56.509 0.671 1
1 192 . 5 1 1 A 22 22 PHE HA H 22 4.963 5.060 -0.097 1
1 193 . 5 1 1 A 22 22 PHE CB C 22 44.791 43.363 1.428 1
1 206 . 5 1 1 A 22 22 PHE C C 22 176.046 175.817 0.229 1
1 207 . 5 1 1 A 23 23 SER CA C 23 59.336 60.438 -1.102 1
1 208 . 5 1 1 A 23 23 SER HA H 23 4.754 4.573 0.181 1
1 209 . 5 1 1 A 23 23 SER CB C 23 64.271 64.067 0.204 1
1 212 . 5 1 1 A 24 24 CYS N N 24 113.033 119.293 -6.260 1
1 213 . 5 1 1 A 24 24 CYS H H 24 7.330 7.783 -0.453 1
1 214 . 5 1 1 A 24 24 CYS CA C 24 56.095 57.886 -1.791 1
1 215 . 5 1 1 A 24 24 CYS HA H 24 4.482 4.888 -0.406 1
1 216 . 5 1 1 A 24 24 CYS CB C 24 30.326 29.544 0.782 1
1 219 . 5 1 1 A 25 25 SER CA C 25 60.983 61.138 -0.155 1
1 220 . 5 1 1 A 25 25 SER HA H 25 3.348 2.886 0.462 1
1 221 . 5 1 1 A 25 25 SER CB C 25 62.224 61.996 0.228 1
1 224 . 5 1 1 A 26 26 LYS H H 26 8.166 8.129 0.037 1
1 225 . 5 1 1 A 26 26 LYS CA C 26 59.574 59.491 0.083 1
1 226 . 5 1 1 A 26 26 LYS HA H 26 3.971 3.910 0.061 1
1 227 . 5 1 1 A 26 26 LYS CB C 26 31.930 32.483 -0.553 1
1 239 . 5 1 1 A 26 26 LYS C C 26 178.526 178.548 -0.022 1
1 240 . 5 1 1 A 27 27 TYR N N 27 117.062 119.126 -2.064 1
1 241 . 5 1 1 A 27 27 TYR H H 27 6.995 8.426 -1.431 1
1 242 . 5 1 1 A 27 27 TYR CA C 27 57.700 60.566 -2.866 1
1 243 . 5 1 1 A 27 27 TYR HA H 27 4.498 4.296 0.202 1
1 244 . 5 1 1 A 27 27 TYR CB C 27 36.779 38.179 -1.400 1
1 255 . 5 1 1 A 27 27 TYR C C 27 178.560 178.143 0.417 1
1 256 . 5 1 1 A 28 28 LEU N N 28 122.433 121.324 1.109 1
1 257 . 5 1 1 A 28 28 LEU H H 28 7.156 7.383 -0.227 1
1 258 . 5 1 1 A 28 28 LEU CA C 28 58.234 57.757 0.477 1
1 259 . 5 1 1 A 28 28 LEU HA H 28 3.396 3.188 0.208 1
1 260 . 5 1 1 A 28 28 LEU CB C 28 40.519 41.465 -0.946 1
1 273 . 5 1 1 A 28 28 LEU C C 28 177.446 178.360 -0.914 1
1 274 . 5 1 1 A 29 29 THR N N 29 115.799 114.042 1.757 1
1 275 . 5 1 1 A 29 29 THR H H 29 8.543 8.108 0.435 1
1 276 . 5 1 1 A 29 29 THR CA C 29 66.539 66.435 0.104 1
1 277 . 5 1 1 A 29 29 THR HA H 29 3.972 3.724 0.248 1
1 278 . 5 1 1 A 29 29 THR CB C 29 68.701 68.383 0.318 1
1 284 . 5 1 1 A 29 29 THR C C 29 177.042 176.571 0.471 1
1 285 . 5 1 1 A 30 30 GLN N N 30 118.831 118.593 0.238 1
1 286 . 5 1 1 A 30 30 GLN H H 30 7.568 7.939 -0.371 1
1 287 . 5 1 1 A 30 30 GLN CA C 30 58.801 58.856 -0.055 1
1 288 . 5 1 1 A 30 30 GLN HA H 30 3.971 4.020 -0.049 1
1 289 . 5 1 1 A 30 30 GLN CB C 30 28.596 28.448 0.148 1
1 298 . 5 1 1 A 30 30 GLN C C 30 178.233 178.159 0.074 1
1 299 . 5 1 1 A 31 31 HIS N N 31 119.357 119.993 -0.636 1
1 300 . 5 1 1 A 31 31 HIS H H 31 7.565 8.021 -0.456 1
1 301 . 5 1 1 A 31 31 HIS CA C 31 59.086 59.486 -0.400 1
1 302 . 5 1 1 A 31 31 HIS HA H 31 4.227 4.215 0.012 1
1 303 . 5 1 1 A 31 31 HIS CB C 31 28.676 29.676 -1.000 1
1 310 . 5 1 1 A 31 31 HIS C C 31 176.294 176.476 -0.182 1
1 311 . 5 1 1 A 32 32 GLU N N 32 116.614 117.253 -0.639 1
1 312 . 5 1 1 A 32 32 GLU H H 32 8.508 8.758 -0.250 1
1 313 . 5 1 1 A 32 32 GLU CA C 32 60.064 59.897 0.167 1
1 314 . 5 1 1 A 32 32 GLU HA H 32 3.695 4.043 -0.348 1
1 315 . 5 1 1 A 32 32 GLU CB C 32 29.809 29.369 0.440 1
1 321 . 5 1 1 A 32 32 GLU C C 32 178.085 179.123 -1.038 1
1 322 . 5 1 1 A 33 33 ARG N N 33 116.851 119.903 -3.052 1
1 323 . 5 1 1 A 33 33 ARG H H 33 7.041 7.709 -0.668 1
1 324 . 5 1 1 A 33 33 ARG CA C 33 58.355 58.992 -0.637 1
1 325 . 5 1 1 A 33 33 ARG HA H 33 4.121 4.012 0.109 1
1 326 . 5 1 1 A 33 33 ARG CB C 33 30.200 29.842 0.358 1
1 335 . 5 1 1 A 33 33 ARG C C 33 178.487 178.841 -0.354 1
1 336 . 5 1 1 A 34 34 ILE N N 34 116.576 118.049 -1.473 1
1 337 . 5 1 1 A 34 34 ILE H H 34 7.947 8.029 -0.082 1
1 338 . 5 1 1 A 34 34 ILE CA C 34 63.154 63.915 -0.761 1
1 339 . 5 1 1 A 34 34 ILE HA H 34 3.952 3.760 0.192 1
1 340 . 5 1 1 A 34 34 ILE CB C 34 37.652 37.138 0.514 1
1 353 . 5 1 1 A 34 34 ILE C C 34 177.459 176.718 0.741 1
1 354 . 5 1 1 A 35 35 HIS N N 35 117.114 119.429 -2.315 1
1 355 . 5 1 1 A 35 35 HIS H H 35 7.243 7.153 0.090 1
1 356 . 5 1 1 A 35 35 HIS CA C 35 55.496 55.204 0.292 1
1 357 . 5 1 1 A 35 35 HIS HA H 35 4.776 4.619 0.157 1
1 358 . 5 1 1 A 35 35 HIS CB C 35 28.583 28.808 -0.225 1
1 365 . 5 1 1 A 35 35 HIS C C 35 175.451 174.269 1.182 1
1 366 . 5 1 1 A 36 36 THR N N 36 112.873 113.491 -0.618 1
1 367 . 5 1 1 A 36 36 THR H H 36 7.691 7.622 0.069 1
1 368 . 5 1 1 A 36 36 THR CA C 36 62.256 60.942 1.314 1
1 369 . 5 1 1 A 36 36 THR HA H 36 4.377 4.343 0.034 1
1 370 . 5 1 1 A 36 36 THR CB C 36 69.760 69.993 -0.233 1
1 376 . 5 1 1 A 36 36 THR C C 36 174.552 172.788 1.764 1
1 377 . 5 1 1 A 37 37 ARG N N 37 122.792 124.336 -1.544 1
1 378 . 5 1 1 A 37 37 ARG H H 37 8.176 8.378 -0.202 1
1 379 . 5 1 1 A 37 37 ARG CA C 37 56.728 57.637 -0.909 1
1 380 . 5 1 1 A 37 37 ARG HA H 37 4.369 4.132 0.237 1
1 381 . 5 1 1 A 37 37 ARG CB C 37 30.703 30.129 0.574 1
1 390 . 5 1 1 A 37 37 ARG C C 37 176.742 176.339 0.403 1
1 391 . 5 1 1 A 38 38 GLY N N 38 110.024 112.296 -2.272 1
1 392 . 5 1 1 A 38 38 GLY H H 38 8.396 8.259 0.137 1
1 393 . 5 1 1 A 38 38 GLY CA C 38 45.327 45.862 -0.535 1
1 394 . 5 1 1 A 38 38 GLY HA2 H 38 3.983 4.112 -0.129 1
1 395 . 5 1 1 A 38 38 GLY HA3 H 38 3.983 4.125 -0.142 1
1 396 . 5 1 1 A 38 38 GLY C C 38 174.010 171.772 2.238 1
1 397 . 5 1 1 A 39 39 VAL N N 39 119.355 120.573 -1.218 1
1 398 . 5 1 1 A 39 39 VAL H H 39 7.972 8.294 -0.322 1
1 399 . 5 1 1 A 39 39 VAL CA C 39 62.275 59.501 2.774 1
1 400 . 5 1 1 A 39 39 VAL HA H 39 4.134 4.785 -0.651 1
1 401 . 5 1 1 A 39 39 VAL CB C 39 32.877 35.093 -2.216 1
1 411 . 5 1 1 A 39 39 VAL C C 39 176.275 174.602 1.673 1
1 412 . 5 1 1 A 40 40 LYS N N 40 125.416 126.070 -0.654 1
1 413 . 5 1 1 A 40 40 LYS H H 40 8.482 8.727 -0.245 1
1 414 . 5 1 1 A 40 40 LYS CA C 40 56.257 56.907 -0.650 1
1 415 . 5 1 1 A 40 40 LYS HA H 40 4.392 3.748 0.644 1
1 416 . 5 1 1 A 40 40 LYS CB C 40 33.006 29.675 3.331 1
1 427 . 5 1 1 A 40 40 LYS C C 40 176.346 175.081 1.265 1
1 428 . 5 1 1 A 41 41 SER N N 41 117.710 112.896 4.814 1
1 429 . 5 1 1 A 41 41 SER H H 41 8.326 7.840 0.486 1
1 430 . 5 1 1 A 41 41 SER CA C 41 58.775 57.632 1.143 1
1 431 . 5 1 1 A 41 41 SER HA H 41 4.491 4.671 -0.180 1
1 432 . 5 1 1 A 41 41 SER CB C 41 63.841 63.275 0.566 1
1 435 . 5 1 1 A 41 41 SER C C 41 173.882 174.408 -0.526 1
1 436 . 5 1 1 A 42 42 GLY N N 42 116.832 111.462 5.370 1
1 437 . 5 1 1 A 42 42 GLY H H 42 8.057 8.826 -0.769 1
1 438 . 5 1 1 A 42 42 GLY CA C 42 44.640 44.419 0.221 1
1 439 . 5 1 1 A 42 42 GLY HA2 H 42 4.144 4.085 0.059 1
1 440 . 5 1 1 A 42 42 GLY HA3 H 42 4.144 4.086 0.058 1
1 441 . 5 1 1 A 42 42 GLY C C 42 178.957 174.145 4.812 1
1 442 . 5 1 1 A 43 43 PRO CA C 43 63.377 64.046 -0.669 1
1 443 . 5 1 1 A 43 43 PRO HA H 43 4.491 4.479 0.012 1
1 444 . 5 1 1 A 43 43 PRO CB C 43 32.201 31.577 0.624 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.660 45.773 -0.113 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.931 4.163 -0.232 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.931 4.163 -0.232 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.138 173.235 0.903 1
1 5 . 6 1 1 A 8 8 GLN N N 8 119.891 119.224 0.667 1
1 6 . 6 1 1 A 8 8 GLN H H 8 8.206 7.837 0.369 1
1 7 . 6 1 1 A 8 8 GLN CA C 8 55.820 54.705 1.115 1
1 8 . 6 1 1 A 8 8 GLN HA H 8 4.341 4.547 -0.206 1
1 9 . 6 1 1 A 8 8 GLN CB C 8 29.497 30.125 -0.628 1
1 18 . 6 1 1 A 8 8 GLN C C 8 176.071 174.849 1.222 1
1 19 . 6 1 1 A 9 9 LYS N N 9 122.781 124.515 -1.734 1
1 20 . 6 1 1 A 9 9 LYS H H 9 8.408 8.733 -0.325 1
1 21 . 6 1 1 A 9 9 LYS CA C 9 56.490 57.028 -0.538 1
1 22 . 6 1 1 A 9 9 LYS HA H 9 4.292 4.529 -0.237 1
1 23 . 6 1 1 A 9 9 LYS CB C 9 33.055 34.959 -1.904 1
1 35 . 6 1 1 A 9 9 LYS C C 9 176.568 175.889 0.679 1
1 36 . 6 1 1 A 10 10 GLU N N 10 121.884 118.365 3.519 1
1 37 . 6 1 1 A 10 10 GLU H H 10 8.435 8.192 0.243 1
1 38 . 6 1 1 A 10 10 GLU CA C 10 56.644 55.699 0.945 1
1 39 . 6 1 1 A 10 10 GLU HA H 10 4.239 4.513 -0.274 1
1 40 . 6 1 1 A 10 10 GLU CB C 10 30.349 30.423 -0.074 1
1 46 . 6 1 1 A 10 10 GLU C C 10 176.223 175.371 0.852 1
1 47 . 6 1 1 A 11 11 LYS N N 11 122.536 126.481 -3.945 1
1 48 . 6 1 1 A 11 11 LYS H H 11 8.406 8.594 -0.188 1
1 49 . 6 1 1 A 11 11 LYS CA C 11 56.095 56.360 -0.265 1
1 50 . 6 1 1 A 11 11 LYS HA H 11 4.235 4.253 -0.018 1
1 51 . 6 1 1 A 11 11 LYS CB C 11 32.883 32.408 0.475 1
1 63 . 6 1 1 A 11 11 LYS C C 11 175.448 174.719 0.729 1
1 64 . 6 1 1 A 12 12 CYS N N 12 119.041 125.646 -6.605 1
1 65 . 6 1 1 A 12 12 CYS H H 12 7.970 8.799 -0.829 1
1 66 . 6 1 1 A 12 12 CYS CA C 12 57.850 56.978 0.872 1
1 67 . 6 1 1 A 12 12 CYS HA H 12 4.523 5.015 -0.492 1
1 68 . 6 1 1 A 12 12 CYS CB C 12 28.790 29.265 -0.475 1
1 71 . 6 1 1 A 12 12 CYS C C 12 173.137 173.291 -0.154 1
1 72 . 6 1 1 A 13 13 PHE N N 13 123.659 124.216 -0.557 1
1 73 . 6 1 1 A 13 13 PHE H H 13 8.796 8.869 -0.073 1
1 74 . 6 1 1 A 13 13 PHE CA C 13 57.405 56.826 0.579 1
1 75 . 6 1 1 A 13 13 PHE HA H 13 4.636 5.142 -0.506 1
1 76 . 6 1 1 A 13 13 PHE CB C 13 39.505 39.713 -0.208 1
1 89 . 6 1 1 A 13 13 PHE C C 13 174.193 174.526 -0.333 1
1 90 . 6 1 1 A 14 14 LYS N N 14 125.302 125.024 0.278 1
1 91 . 6 1 1 A 14 14 LYS H H 14 8.659 9.091 -0.432 1
1 92 . 6 1 1 A 14 14 LYS CA C 14 55.196 54.375 0.821 1
1 93 . 6 1 1 A 14 14 LYS HA H 14 4.831 5.259 -0.428 1
1 94 . 6 1 1 A 14 14 LYS CB C 14 35.042 36.255 -1.213 1
1 105 . 6 1 1 A 14 14 LYS C C 14 175.026 175.393 -0.367 1
1 106 . 6 1 1 A 15 15 CYS N N 15 127.929 124.750 3.179 1
1 107 . 6 1 1 A 15 15 CYS H H 15 8.710 8.980 -0.270 1
1 108 . 6 1 1 A 15 15 CYS CA C 15 60.083 58.719 1.364 1
1 109 . 6 1 1 A 15 15 CYS HA H 15 4.578 4.682 -0.104 1
1 110 . 6 1 1 A 15 15 CYS CB C 15 29.646 29.076 0.570 1
1 113 . 6 1 1 A 15 15 CYS C C 15 175.715 174.691 1.024 1
1 114 . 6 1 1 A 16 16 ASN N N 16 126.460 122.488 3.972 1
1 115 . 6 1 1 A 16 16 ASN H H 16 9.033 8.810 0.223 1
1 116 . 6 1 1 A 16 16 ASN CA C 16 54.820 54.607 0.213 1
1 117 . 6 1 1 A 16 16 ASN HA H 16 4.728 4.897 -0.169 1
1 118 . 6 1 1 A 16 16 ASN CB C 16 38.681 39.481 -0.800 1
1 124 . 6 1 1 A 16 16 ASN C C 16 176.123 177.196 -1.073 1
1 125 . 6 1 1 A 17 17 LYS N N 17 121.823 118.418 3.405 1
1 126 . 6 1 1 A 17 17 LYS H H 17 9.444 8.162 1.282 1
1 127 . 6 1 1 A 17 17 LYS CA C 17 56.577 59.383 -2.806 1
1 128 . 6 1 1 A 17 17 LYS HA H 17 4.368 3.883 0.485 1
1 129 . 6 1 1 A 17 17 LYS CB C 17 33.308 31.823 1.485 1
1 141 . 6 1 1 A 17 17 LYS C C 17 176.102 179.121 -3.019 1
1 142 . 6 1 1 A 18 18 CYS N N 18 118.544 116.203 2.341 1
1 143 . 6 1 1 A 18 18 CYS H H 18 7.918 7.730 0.188 1
1 144 . 6 1 1 A 18 18 CYS CA C 18 58.610 60.716 -2.106 1
1 145 . 6 1 1 A 18 18 CYS HA H 18 5.016 4.453 0.563 1
1 146 . 6 1 1 A 18 18 CYS CB C 18 30.648 28.710 1.938 1
1 149 . 6 1 1 A 18 18 CYS C C 18 173.625 175.050 -1.425 1
1 150 . 6 1 1 A 19 19 GLU N N 19 115.419 116.423 -1.004 1
1 151 . 6 1 1 A 19 19 GLU H H 19 8.498 8.020 0.478 1
1 152 . 6 1 1 A 19 19 GLU CA C 19 57.672 57.684 -0.012 1
1 153 . 6 1 1 A 19 19 GLU HA H 19 4.229 4.211 0.018 1
1 154 . 6 1 1 A 19 19 GLU CB C 19 28.577 27.243 1.334 1
1 160 . 6 1 1 A 19 19 GLU C C 19 176.219 175.036 1.183 1
1 161 . 6 1 1 A 20 20 LYS N N 20 122.785 118.444 4.341 1
1 162 . 6 1 1 A 20 20 LYS H H 20 8.283 7.385 0.898 1
1 163 . 6 1 1 A 20 20 LYS CA C 20 58.127 54.758 3.369 1
1 164 . 6 1 1 A 20 20 LYS HA H 20 4.033 4.731 -0.698 1
1 165 . 6 1 1 A 20 20 LYS CB C 20 33.528 34.131 -0.603 1
1 177 . 6 1 1 A 20 20 LYS C C 20 174.855 176.714 -1.859 1
1 178 . 6 1 1 A 21 21 THR N N 21 110.456 114.747 -4.291 1
1 179 . 6 1 1 A 21 21 THR H H 21 7.497 8.415 -0.918 1
1 180 . 6 1 1 A 21 21 THR CA C 21 59.617 61.406 -1.789 1
1 181 . 6 1 1 A 21 21 THR HA H 21 5.051 4.874 0.177 1
1 182 . 6 1 1 A 21 21 THR CB C 21 71.680 70.091 1.589 1
1 188 . 6 1 1 A 21 21 THR C C 21 173.142 174.016 -0.874 1
1 189 . 6 1 1 A 22 22 PHE N N 22 117.251 120.119 -2.868 1
1 190 . 6 1 1 A 22 22 PHE H H 22 8.746 8.627 0.119 1
1 191 . 6 1 1 A 22 22 PHE CA C 22 57.180 56.415 0.765 1
1 192 . 6 1 1 A 22 22 PHE HA H 22 4.963 4.943 0.020 1
1 193 . 6 1 1 A 22 22 PHE CB C 22 44.791 43.618 1.173 1
1 206 . 6 1 1 A 22 22 PHE C C 22 176.046 175.697 0.349 1
1 207 . 6 1 1 A 23 23 SER CA C 23 59.336 60.299 -0.963 1
1 208 . 6 1 1 A 23 23 SER HA H 23 4.754 4.599 0.155 1
1 209 . 6 1 1 A 23 23 SER CB C 23 64.271 64.184 0.087 1
1 212 . 6 1 1 A 24 24 CYS N N 24 113.033 119.552 -6.519 1
1 213 . 6 1 1 A 24 24 CYS H H 24 7.330 7.963 -0.633 1
1 214 . 6 1 1 A 24 24 CYS CA C 24 56.095 57.991 -1.896 1
1 215 . 6 1 1 A 24 24 CYS HA H 24 4.482 5.072 -0.590 1
1 216 . 6 1 1 A 24 24 CYS CB C 24 30.326 31.363 -1.037 1
1 219 . 6 1 1 A 25 25 SER CA C 25 60.983 61.447 -0.464 1
1 220 . 6 1 1 A 25 25 SER HA H 25 3.348 3.893 -0.545 1
1 221 . 6 1 1 A 25 25 SER CB C 25 62.224 62.362 -0.138 1
1 224 . 6 1 1 A 26 26 LYS H H 26 8.166 8.049 0.117 1
1 225 . 6 1 1 A 26 26 LYS CA C 26 59.574 58.649 0.925 1
1 226 . 6 1 1 A 26 26 LYS HA H 26 3.971 4.055 -0.084 1
1 227 . 6 1 1 A 26 26 LYS CB C 26 31.930 31.704 0.226 1
1 239 . 6 1 1 A 26 26 LYS C C 26 178.526 177.759 0.767 1
1 240 . 6 1 1 A 27 27 TYR N N 27 117.062 119.221 -2.159 1
1 241 . 6 1 1 A 27 27 TYR H H 27 6.995 7.919 -0.924 1
1 242 . 6 1 1 A 27 27 TYR CA C 27 57.700 61.120 -3.420 1
1 243 . 6 1 1 A 27 27 TYR HA H 27 4.498 4.346 0.152 1
1 244 . 6 1 1 A 27 27 TYR CB C 27 36.779 38.699 -1.920 1
1 255 . 6 1 1 A 27 27 TYR C C 27 178.560 178.318 0.242 1
1 256 . 6 1 1 A 28 28 LEU N N 28 122.433 121.413 1.020 1
1 257 . 6 1 1 A 28 28 LEU H H 28 7.156 7.922 -0.766 1
1 258 . 6 1 1 A 28 28 LEU CA C 28 58.234 57.256 0.978 1
1 259 . 6 1 1 A 28 28 LEU HA H 28 3.396 3.220 0.176 1
1 260 . 6 1 1 A 28 28 LEU CB C 28 40.519 41.254 -0.735 1
1 273 . 6 1 1 A 28 28 LEU C C 28 177.446 178.212 -0.766 1
1 274 . 6 1 1 A 29 29 THR N N 29 115.799 114.521 1.278 1
1 275 . 6 1 1 A 29 29 THR H H 29 8.543 8.268 0.275 1
1 276 . 6 1 1 A 29 29 THR CA C 29 66.539 66.125 0.414 1
1 277 . 6 1 1 A 29 29 THR HA H 29 3.972 3.709 0.263 1
1 278 . 6 1 1 A 29 29 THR CB C 29 68.701 68.348 0.353 1
1 284 . 6 1 1 A 29 29 THR C C 29 177.042 176.091 0.951 1
1 285 . 6 1 1 A 30 30 GLN N N 30 118.831 120.968 -2.137 1
1 286 . 6 1 1 A 30 30 GLN H H 30 7.568 7.673 -0.105 1
1 287 . 6 1 1 A 30 30 GLN CA C 30 58.801 59.041 -0.240 1
1 288 . 6 1 1 A 30 30 GLN HA H 30 3.971 3.822 0.149 1
1 289 . 6 1 1 A 30 30 GLN CB C 30 28.596 28.194 0.402 1
1 298 . 6 1 1 A 30 30 GLN C C 30 178.233 177.732 0.501 1
1 299 . 6 1 1 A 31 31 HIS N N 31 119.357 119.825 -0.468 1
1 300 . 6 1 1 A 31 31 HIS H H 31 7.565 7.758 -0.193 1
1 301 . 6 1 1 A 31 31 HIS CA C 31 59.086 59.665 -0.579 1
1 302 . 6 1 1 A 31 31 HIS HA H 31 4.227 4.275 -0.048 1
1 303 . 6 1 1 A 31 31 HIS CB C 31 28.676 29.763 -1.087 1
1 310 . 6 1 1 A 31 31 HIS C C 31 176.294 176.512 -0.218 1
1 311 . 6 1 1 A 32 32 GLU N N 32 116.614 117.230 -0.616 1
1 312 . 6 1 1 A 32 32 GLU H H 32 8.508 8.753 -0.245 1
1 313 . 6 1 1 A 32 32 GLU CA C 32 60.064 59.861 0.203 1
1 314 . 6 1 1 A 32 32 GLU HA H 32 3.695 3.953 -0.258 1
1 315 . 6 1 1 A 32 32 GLU CB C 32 29.809 29.357 0.452 1
1 321 . 6 1 1 A 32 32 GLU C C 32 178.085 179.097 -1.012 1
1 322 . 6 1 1 A 33 33 ARG N N 33 116.851 119.574 -2.723 1
1 323 . 6 1 1 A 33 33 ARG H H 33 7.041 7.626 -0.585 1
1 324 . 6 1 1 A 33 33 ARG CA C 33 58.355 58.993 -0.638 1
1 325 . 6 1 1 A 33 33 ARG HA H 33 4.121 3.979 0.142 1
1 326 . 6 1 1 A 33 33 ARG CB C 33 30.200 29.837 0.363 1
1 335 . 6 1 1 A 33 33 ARG C C 33 178.487 178.717 -0.230 1
1 336 . 6 1 1 A 34 34 ILE N N 34 116.576 118.009 -1.433 1
1 337 . 6 1 1 A 34 34 ILE H H 34 7.947 8.121 -0.174 1
1 338 . 6 1 1 A 34 34 ILE CA C 34 63.154 63.975 -0.821 1
1 339 . 6 1 1 A 34 34 ILE HA H 34 3.952 3.797 0.155 1
1 340 . 6 1 1 A 34 34 ILE CB C 34 37.652 37.334 0.318 1
1 353 . 6 1 1 A 34 34 ILE C C 34 177.459 176.544 0.915 1
1 354 . 6 1 1 A 35 35 HIS N N 35 117.114 119.993 -2.879 1
1 355 . 6 1 1 A 35 35 HIS H H 35 7.243 7.359 -0.116 1
1 356 . 6 1 1 A 35 35 HIS CA C 35 55.496 54.714 0.782 1
1 357 . 6 1 1 A 35 35 HIS HA H 35 4.776 4.590 0.186 1
1 358 . 6 1 1 A 35 35 HIS CB C 35 28.583 27.692 0.891 1
1 365 . 6 1 1 A 35 35 HIS C C 35 175.451 173.826 1.625 1
1 366 . 6 1 1 A 36 36 THR N N 36 112.873 111.515 1.358 1
1 367 . 6 1 1 A 36 36 THR H H 36 7.691 8.155 -0.464 1
1 368 . 6 1 1 A 36 36 THR CA C 36 62.256 60.083 2.173 1
1 369 . 6 1 1 A 36 36 THR HA H 36 4.377 5.045 -0.668 1
1 370 . 6 1 1 A 36 36 THR CB C 36 69.760 72.298 -2.538 1
1 376 . 6 1 1 A 36 36 THR C C 36 174.552 172.607 1.945 1
1 377 . 6 1 1 A 37 37 ARG N N 37 122.792 120.521 2.271 1
1 378 . 6 1 1 A 37 37 ARG H H 37 8.176 8.903 -0.727 1
1 379 . 6 1 1 A 37 37 ARG CA C 37 56.728 54.253 2.475 1
1 380 . 6 1 1 A 37 37 ARG HA H 37 4.369 5.272 -0.903 1
1 381 . 6 1 1 A 37 37 ARG CB C 37 30.703 34.317 -3.614 1
1 390 . 6 1 1 A 37 37 ARG C C 37 176.742 174.906 1.836 1
1 391 . 6 1 1 A 38 38 GLY N N 38 110.024 107.545 2.479 1
1 392 . 6 1 1 A 38 38 GLY H H 38 8.396 8.657 -0.261 1
1 393 . 6 1 1 A 38 38 GLY CA C 38 45.327 45.605 -0.278 1
1 394 . 6 1 1 A 38 38 GLY HA2 H 38 3.983 4.191 -0.208 1
1 395 . 6 1 1 A 38 38 GLY HA3 H 38 3.983 4.192 -0.209 1
1 396 . 6 1 1 A 38 38 GLY C C 38 174.010 174.094 -0.084 1
1 397 . 6 1 1 A 39 39 VAL N N 39 119.355 120.157 -0.802 1
1 398 . 6 1 1 A 39 39 VAL H H 39 7.972 7.920 0.052 1
1 399 . 6 1 1 A 39 39 VAL CA C 39 62.275 61.552 0.723 1
1 400 . 6 1 1 A 39 39 VAL HA H 39 4.134 4.604 -0.470 1
1 401 . 6 1 1 A 39 39 VAL CB C 39 32.877 33.066 -0.189 1
1 411 . 6 1 1 A 39 39 VAL C C 39 176.275 174.871 1.404 1
1 412 . 6 1 1 A 40 40 LYS N N 40 125.416 126.673 -1.257 1
1 413 . 6 1 1 A 40 40 LYS H H 40 8.482 8.261 0.221 1
1 414 . 6 1 1 A 40 40 LYS CA C 40 56.257 55.902 0.355 1
1 415 . 6 1 1 A 40 40 LYS HA H 40 4.392 4.499 -0.107 1
1 416 . 6 1 1 A 40 40 LYS CB C 40 33.006 35.836 -2.830 1
1 427 . 6 1 1 A 40 40 LYS C C 40 176.346 176.189 0.157 1
1 428 . 6 1 1 A 41 41 SER N N 41 117.710 120.271 -2.561 1
1 429 . 6 1 1 A 41 41 SER H H 41 8.326 8.879 -0.553 1
1 430 . 6 1 1 A 41 41 SER CA C 41 58.775 61.976 -3.201 1
1 431 . 6 1 1 A 41 41 SER HA H 41 4.491 4.057 0.434 1
1 432 . 6 1 1 A 41 41 SER CB C 41 63.841 63.174 0.667 1
1 435 . 6 1 1 A 41 41 SER C C 41 173.882 176.012 -2.130 1
1 436 . 6 1 1 A 42 42 GLY N N 42 116.832 109.678 7.154 1
1 437 . 6 1 1 A 42 42 GLY H H 42 8.057 8.289 -0.232 1
1 438 . 6 1 1 A 42 42 GLY CA C 42 44.640 44.845 -0.205 1
1 439 . 6 1 1 A 42 42 GLY HA2 H 42 4.144 4.074 0.070 1
1 440 . 6 1 1 A 42 42 GLY HA3 H 42 4.144 4.074 0.070 1
1 441 . 6 1 1 A 42 42 GLY C C 42 178.957 174.730 4.227 1
1 442 . 6 1 1 A 43 43 PRO CA C 43 63.377 65.073 -1.696 1
1 443 . 6 1 1 A 43 43 PRO HA H 43 4.491 4.329 0.162 1
1 444 . 6 1 1 A 43 43 PRO CB C 43 32.201 31.848 0.353 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.660 46.075 -0.415 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.931 4.103 -0.172 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.931 4.104 -0.173 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.138 173.039 1.099 1
1 5 . 7 1 1 A 8 8 GLN N N 8 119.891 118.597 1.294 1
1 6 . 7 1 1 A 8 8 GLN H H 8 8.206 7.952 0.254 1
1 7 . 7 1 1 A 8 8 GLN CA C 8 55.820 54.857 0.963 1
1 8 . 7 1 1 A 8 8 GLN HA H 8 4.341 4.677 -0.336 1
1 9 . 7 1 1 A 8 8 GLN CB C 8 29.497 30.961 -1.464 1
1 18 . 7 1 1 A 8 8 GLN C C 8 176.071 174.771 1.300 1
1 19 . 7 1 1 A 9 9 LYS N N 9 122.781 119.028 3.753 1
1 20 . 7 1 1 A 9 9 LYS H H 9 8.408 8.592 -0.184 1
1 21 . 7 1 1 A 9 9 LYS CA C 9 56.490 54.172 2.318 1
1 22 . 7 1 1 A 9 9 LYS HA H 9 4.292 4.822 -0.530 1
1 23 . 7 1 1 A 9 9 LYS CB C 9 33.055 36.545 -3.490 1
1 35 . 7 1 1 A 9 9 LYS C C 9 176.568 176.029 0.539 1
1 36 . 7 1 1 A 10 10 GLU N N 10 121.884 120.914 0.970 1
1 37 . 7 1 1 A 10 10 GLU H H 10 8.435 8.501 -0.066 1
1 38 . 7 1 1 A 10 10 GLU CA C 10 56.644 56.944 -0.300 1
1 39 . 7 1 1 A 10 10 GLU HA H 10 4.239 4.186 0.053 1
1 40 . 7 1 1 A 10 10 GLU CB C 10 30.349 29.760 0.589 1
1 46 . 7 1 1 A 10 10 GLU C C 10 176.223 177.253 -1.030 1
1 47 . 7 1 1 A 11 11 LYS N N 11 122.536 124.210 -1.674 1
1 48 . 7 1 1 A 11 11 LYS H H 11 8.406 8.808 -0.402 1
1 49 . 7 1 1 A 11 11 LYS CA C 11 56.095 58.624 -2.529 1
1 50 . 7 1 1 A 11 11 LYS HA H 11 4.235 3.818 0.417 1
1 51 . 7 1 1 A 11 11 LYS CB C 11 32.883 32.233 0.650 1
1 63 . 7 1 1 A 11 11 LYS C C 11 175.448 176.867 -1.419 1
1 64 . 7 1 1 A 12 12 CYS N N 12 119.041 117.935 1.106 1
1 65 . 7 1 1 A 12 12 CYS H H 12 7.970 7.608 0.362 1
1 66 . 7 1 1 A 12 12 CYS CA C 12 57.850 59.976 -2.126 1
1 67 . 7 1 1 A 12 12 CYS HA H 12 4.523 4.150 0.373 1
1 68 . 7 1 1 A 12 12 CYS CB C 12 28.790 27.686 1.104 1
1 71 . 7 1 1 A 12 12 CYS C C 12 173.137 174.303 -1.166 1
1 72 . 7 1 1 A 13 13 PHE N N 13 123.659 122.538 1.121 1
1 73 . 7 1 1 A 13 13 PHE H H 13 8.796 8.436 0.360 1
1 74 . 7 1 1 A 13 13 PHE CA C 13 57.405 56.517 0.888 1
1 75 . 7 1 1 A 13 13 PHE HA H 13 4.636 5.044 -0.408 1
1 76 . 7 1 1 A 13 13 PHE CB C 13 39.505 39.736 -0.231 1
1 89 . 7 1 1 A 13 13 PHE C C 13 174.193 174.522 -0.329 1
1 90 . 7 1 1 A 14 14 LYS N N 14 125.302 125.958 -0.656 1
1 91 . 7 1 1 A 14 14 LYS H H 14 8.659 8.648 0.011 1
1 92 . 7 1 1 A 14 14 LYS CA C 14 55.196 56.294 -1.098 1
1 93 . 7 1 1 A 14 14 LYS HA H 14 4.831 4.633 0.198 1
1 94 . 7 1 1 A 14 14 LYS CB C 14 35.042 33.735 1.307 1
1 105 . 7 1 1 A 14 14 LYS C C 14 175.026 176.820 -1.794 1
1 106 . 7 1 1 A 15 15 CYS N N 15 127.929 124.355 3.574 1
1 107 . 7 1 1 A 15 15 CYS H H 15 8.710 8.963 -0.253 1
1 108 . 7 1 1 A 15 15 CYS CA C 15 60.083 58.161 1.922 1
1 109 . 7 1 1 A 15 15 CYS HA H 15 4.578 4.669 -0.091 1
1 110 . 7 1 1 A 15 15 CYS CB C 15 29.646 29.480 0.166 1
1 113 . 7 1 1 A 15 15 CYS C C 15 175.715 174.379 1.336 1
1 114 . 7 1 1 A 16 16 ASN N N 16 126.460 123.290 3.170 1
1 115 . 7 1 1 A 16 16 ASN H H 16 9.033 8.890 0.143 1
1 116 . 7 1 1 A 16 16 ASN CA C 16 54.820 54.756 0.064 1
1 117 . 7 1 1 A 16 16 ASN HA H 16 4.728 4.877 -0.149 1
1 118 . 7 1 1 A 16 16 ASN CB C 16 38.681 40.161 -1.480 1
1 124 . 7 1 1 A 16 16 ASN C C 16 176.123 176.933 -0.810 1
1 125 . 7 1 1 A 17 17 LYS N N 17 121.823 118.943 2.880 1
1 126 . 7 1 1 A 17 17 LYS H H 17 9.444 7.975 1.469 1
1 127 . 7 1 1 A 17 17 LYS CA C 17 56.577 59.541 -2.964 1
1 128 . 7 1 1 A 17 17 LYS HA H 17 4.368 3.893 0.475 1
1 129 . 7 1 1 A 17 17 LYS CB C 17 33.308 31.801 1.507 1
1 141 . 7 1 1 A 17 17 LYS C C 17 176.102 178.836 -2.734 1
1 142 . 7 1 1 A 18 18 CYS N N 18 118.544 116.733 1.811 1
1 143 . 7 1 1 A 18 18 CYS H H 18 7.918 7.584 0.334 1
1 144 . 7 1 1 A 18 18 CYS CA C 18 58.610 60.665 -2.055 1
1 145 . 7 1 1 A 18 18 CYS HA H 18 5.016 4.393 0.623 1
1 146 . 7 1 1 A 18 18 CYS CB C 18 30.648 28.691 1.957 1
1 149 . 7 1 1 A 18 18 CYS C C 18 173.625 174.989 -1.364 1
1 150 . 7 1 1 A 19 19 GLU N N 19 115.419 116.334 -0.915 1
1 151 . 7 1 1 A 19 19 GLU H H 19 8.498 7.998 0.500 1
1 152 . 7 1 1 A 19 19 GLU CA C 19 57.672 57.622 0.050 1
1 153 . 7 1 1 A 19 19 GLU HA H 19 4.229 4.246 -0.017 1
1 154 . 7 1 1 A 19 19 GLU CB C 19 28.577 27.136 1.441 1
1 160 . 7 1 1 A 19 19 GLU C C 19 176.219 174.995 1.224 1
1 161 . 7 1 1 A 20 20 LYS N N 20 122.785 118.499 4.286 1
1 162 . 7 1 1 A 20 20 LYS H H 20 8.283 7.283 1.000 1
1 163 . 7 1 1 A 20 20 LYS CA C 20 58.127 54.902 3.225 1
1 164 . 7 1 1 A 20 20 LYS HA H 20 4.033 4.735 -0.702 1
1 165 . 7 1 1 A 20 20 LYS CB C 20 33.528 34.445 -0.917 1
1 177 . 7 1 1 A 20 20 LYS C C 20 174.855 176.450 -1.595 1
1 178 . 7 1 1 A 21 21 THR N N 21 110.456 116.539 -6.083 1
1 179 . 7 1 1 A 21 21 THR H H 21 7.497 8.646 -1.149 1
1 180 . 7 1 1 A 21 21 THR CA C 21 59.617 61.960 -2.343 1
1 181 . 7 1 1 A 21 21 THR HA H 21 5.051 4.468 0.583 1
1 182 . 7 1 1 A 21 21 THR CB C 21 71.680 69.884 1.796 1
1 188 . 7 1 1 A 21 21 THR C C 21 173.142 174.197 -1.055 1
1 189 . 7 1 1 A 22 22 PHE N N 22 117.251 119.191 -1.940 1
1 190 . 7 1 1 A 22 22 PHE H H 22 8.746 8.832 -0.086 1
1 191 . 7 1 1 A 22 22 PHE CA C 22 57.180 56.477 0.703 1
1 192 . 7 1 1 A 22 22 PHE HA H 22 4.963 5.008 -0.045 1
1 193 . 7 1 1 A 22 22 PHE CB C 22 44.791 43.803 0.988 1
1 206 . 7 1 1 A 22 22 PHE C C 22 176.046 175.736 0.310 1
1 207 . 7 1 1 A 23 23 SER CA C 23 59.336 60.160 -0.824 1
1 208 . 7 1 1 A 23 23 SER HA H 23 4.754 4.630 0.124 1
1 209 . 7 1 1 A 23 23 SER CB C 23 64.271 64.138 0.133 1
1 212 . 7 1 1 A 24 24 CYS N N 24 113.033 119.682 -6.649 1
1 213 . 7 1 1 A 24 24 CYS H H 24 7.330 7.898 -0.568 1
1 214 . 7 1 1 A 24 24 CYS CA C 24 56.095 57.723 -1.628 1
1 215 . 7 1 1 A 24 24 CYS HA H 24 4.482 5.124 -0.642 1
1 216 . 7 1 1 A 24 24 CYS CB C 24 30.326 29.906 0.420 1
1 219 . 7 1 1 A 25 25 SER CA C 25 60.983 60.617 0.366 1
1 220 . 7 1 1 A 25 25 SER HA H 25 3.348 3.087 0.261 1
1 221 . 7 1 1 A 25 25 SER CB C 25 62.224 62.032 0.192 1
1 224 . 7 1 1 A 26 26 LYS H H 26 8.166 7.986 0.180 1
1 225 . 7 1 1 A 26 26 LYS CA C 26 59.574 58.960 0.614 1
1 226 . 7 1 1 A 26 26 LYS HA H 26 3.971 3.972 -0.001 1
1 227 . 7 1 1 A 26 26 LYS CB C 26 31.930 32.004 -0.074 1
1 239 . 7 1 1 A 26 26 LYS C C 26 178.526 178.046 0.480 1
1 240 . 7 1 1 A 27 27 TYR N N 27 117.062 119.372 -2.310 1
1 241 . 7 1 1 A 27 27 TYR H H 27 6.995 8.048 -1.053 1
1 242 . 7 1 1 A 27 27 TYR CA C 27 57.700 60.146 -2.446 1
1 243 . 7 1 1 A 27 27 TYR HA H 27 4.498 4.266 0.232 1
1 244 . 7 1 1 A 27 27 TYR CB C 27 36.779 38.001 -1.222 1
1 255 . 7 1 1 A 27 27 TYR C C 27 178.560 177.971 0.589 1
1 256 . 7 1 1 A 28 28 LEU N N 28 122.433 121.127 1.306 1
1 257 . 7 1 1 A 28 28 LEU H H 28 7.156 7.777 -0.621 1
1 258 . 7 1 1 A 28 28 LEU CA C 28 58.234 58.010 0.224 1
1 259 . 7 1 1 A 28 28 LEU HA H 28 3.396 3.346 0.050 1
1 260 . 7 1 1 A 28 28 LEU CB C 28 40.519 41.713 -1.194 1
1 273 . 7 1 1 A 28 28 LEU C C 28 177.446 178.383 -0.937 1
1 274 . 7 1 1 A 29 29 THR N N 29 115.799 113.826 1.973 1
1 275 . 7 1 1 A 29 29 THR H H 29 8.543 7.962 0.581 1
1 276 . 7 1 1 A 29 29 THR CA C 29 66.539 66.279 0.260 1
1 277 . 7 1 1 A 29 29 THR HA H 29 3.972 3.756 0.216 1
1 278 . 7 1 1 A 29 29 THR CB C 29 68.701 68.413 0.288 1
1 284 . 7 1 1 A 29 29 THR C C 29 177.042 176.616 0.426 1
1 285 . 7 1 1 A 30 30 GLN N N 30 118.831 120.892 -2.061 1
1 286 . 7 1 1 A 30 30 GLN H H 30 7.568 7.883 -0.315 1
1 287 . 7 1 1 A 30 30 GLN CA C 30 58.801 58.855 -0.054 1
1 288 . 7 1 1 A 30 30 GLN HA H 30 3.971 3.800 0.171 1
1 289 . 7 1 1 A 30 30 GLN CB C 30 28.596 28.150 0.446 1
1 298 . 7 1 1 A 30 30 GLN C C 30 178.233 177.640 0.593 1
1 299 . 7 1 1 A 31 31 HIS N N 31 119.357 119.624 -0.267 1
1 300 . 7 1 1 A 31 31 HIS H H 31 7.565 7.902 -0.337 1
1 301 . 7 1 1 A 31 31 HIS CA C 31 59.086 59.689 -0.603 1
1 302 . 7 1 1 A 31 31 HIS HA H 31 4.227 4.132 0.095 1
1 303 . 7 1 1 A 31 31 HIS CB C 31 28.676 29.682 -1.006 1
1 310 . 7 1 1 A 31 31 HIS C C 31 176.294 176.574 -0.280 1
1 311 . 7 1 1 A 32 32 GLU N N 32 116.614 116.996 -0.382 1
1 312 . 7 1 1 A 32 32 GLU H H 32 8.508 8.848 -0.340 1
1 313 . 7 1 1 A 32 32 GLU CA C 32 60.064 59.803 0.261 1
1 314 . 7 1 1 A 32 32 GLU HA H 32 3.695 4.075 -0.380 1
1 315 . 7 1 1 A 32 32 GLU CB C 32 29.809 29.422 0.387 1
1 321 . 7 1 1 A 32 32 GLU C C 32 178.085 179.240 -1.155 1
1 322 . 7 1 1 A 33 33 ARG N N 33 116.851 119.515 -2.664 1
1 323 . 7 1 1 A 33 33 ARG H H 33 7.041 7.713 -0.672 1
1 324 . 7 1 1 A 33 33 ARG CA C 33 58.355 59.192 -0.837 1
1 325 . 7 1 1 A 33 33 ARG HA H 33 4.121 3.922 0.199 1
1 326 . 7 1 1 A 33 33 ARG CB C 33 30.200 29.849 0.351 1
1 335 . 7 1 1 A 33 33 ARG C C 33 178.487 178.406 0.081 1
1 336 . 7 1 1 A 34 34 ILE N N 34 116.576 117.687 -1.111 1
1 337 . 7 1 1 A 34 34 ILE H H 34 7.947 8.121 -0.174 1
1 338 . 7 1 1 A 34 34 ILE CA C 34 63.154 63.954 -0.800 1
1 339 . 7 1 1 A 34 34 ILE HA H 34 3.952 3.758 0.194 1
1 340 . 7 1 1 A 34 34 ILE CB C 34 37.652 37.235 0.417 1
1 353 . 7 1 1 A 34 34 ILE C C 34 177.459 176.920 0.539 1
1 354 . 7 1 1 A 35 35 HIS N N 35 117.114 119.526 -2.412 1
1 355 . 7 1 1 A 35 35 HIS H H 35 7.243 7.794 -0.551 1
1 356 . 7 1 1 A 35 35 HIS CA C 35 55.496 54.715 0.781 1
1 357 . 7 1 1 A 35 35 HIS HA H 35 4.776 4.655 0.121 1
1 358 . 7 1 1 A 35 35 HIS CB C 35 28.583 27.973 0.610 1
1 365 . 7 1 1 A 35 35 HIS C C 35 175.451 175.588 -0.137 1
1 366 . 7 1 1 A 36 36 THR N N 36 112.873 110.755 2.118 1
1 367 . 7 1 1 A 36 36 THR H H 36 7.691 7.351 0.340 1
1 368 . 7 1 1 A 36 36 THR CA C 36 62.256 60.741 1.515 1
1 369 . 7 1 1 A 36 36 THR HA H 36 4.377 4.490 -0.113 1
1 370 . 7 1 1 A 36 36 THR CB C 36 69.760 68.753 1.007 1
1 376 . 7 1 1 A 36 36 THR C C 36 174.552 174.252 0.300 1
1 377 . 7 1 1 A 37 37 ARG N N 37 122.792 123.313 -0.521 1
1 378 . 7 1 1 A 37 37 ARG H H 37 8.176 7.747 0.429 1
1 379 . 7 1 1 A 37 37 ARG CA C 37 56.728 56.040 0.688 1
1 380 . 7 1 1 A 37 37 ARG HA H 37 4.369 4.395 -0.026 1
1 381 . 7 1 1 A 37 37 ARG CB C 37 30.703 30.401 0.302 1
1 390 . 7 1 1 A 37 37 ARG C C 37 176.742 176.283 0.459 1
1 391 . 7 1 1 A 38 38 GLY N N 38 110.024 113.738 -3.714 1
1 392 . 7 1 1 A 38 38 GLY H H 38 8.396 8.795 -0.399 1
1 393 . 7 1 1 A 38 38 GLY CA C 38 45.327 45.072 0.255 1
1 394 . 7 1 1 A 38 38 GLY HA2 H 38 3.983 4.053 -0.070 1
1 395 . 7 1 1 A 38 38 GLY HA3 H 38 3.983 4.055 -0.072 1
1 396 . 7 1 1 A 38 38 GLY C C 38 174.010 173.025 0.985 1
1 397 . 7 1 1 A 39 39 VAL N N 39 119.355 122.029 -2.674 1
1 398 . 7 1 1 A 39 39 VAL H H 39 7.972 8.345 -0.373 1
1 399 . 7 1 1 A 39 39 VAL CA C 39 62.275 61.868 0.407 1
1 400 . 7 1 1 A 39 39 VAL HA H 39 4.134 4.317 -0.183 1
1 401 . 7 1 1 A 39 39 VAL CB C 39 32.877 30.907 1.970 1
1 411 . 7 1 1 A 39 39 VAL C C 39 176.275 175.068 1.207 1
1 412 . 7 1 1 A 40 40 LYS N N 40 125.416 128.181 -2.765 1
1 413 . 7 1 1 A 40 40 LYS H H 40 8.482 8.191 0.291 1
1 414 . 7 1 1 A 40 40 LYS CA C 40 56.257 55.809 0.448 1
1 415 . 7 1 1 A 40 40 LYS HA H 40 4.392 4.679 -0.287 1
1 416 . 7 1 1 A 40 40 LYS CB C 40 33.006 36.044 -3.038 1
1 427 . 7 1 1 A 40 40 LYS C C 40 176.346 174.164 2.182 1
1 428 . 7 1 1 A 41 41 SER N N 41 117.710 123.932 -6.222 1
1 429 . 7 1 1 A 41 41 SER H H 41 8.326 8.811 -0.485 1
1 430 . 7 1 1 A 41 41 SER CA C 41 58.775 57.282 1.493 1
1 431 . 7 1 1 A 41 41 SER HA H 41 4.491 5.201 -0.710 1
1 432 . 7 1 1 A 41 41 SER CB C 41 63.841 66.274 -2.433 1
1 435 . 7 1 1 A 41 41 SER C C 41 173.882 173.779 0.103 1
1 436 . 7 1 1 A 42 42 GLY N N 42 116.832 110.049 6.783 1
1 437 . 7 1 1 A 42 42 GLY H H 42 8.057 8.396 -0.339 1
1 438 . 7 1 1 A 42 42 GLY CA C 42 44.640 45.065 -0.425 1
1 439 . 7 1 1 A 42 42 GLY HA2 H 42 4.144 4.165 -0.021 1
1 440 . 7 1 1 A 42 42 GLY HA3 H 42 4.144 4.166 -0.022 1
1 441 . 7 1 1 A 42 42 GLY C C 42 178.957 172.371 6.586 1
1 442 . 7 1 1 A 43 43 PRO CA C 43 63.377 62.418 0.959 1
1 443 . 7 1 1 A 43 43 PRO HA H 43 4.491 4.546 -0.055 1
1 444 . 7 1 1 A 43 43 PRO CB C 43 32.201 32.910 -0.709 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.660 46.044 -0.384 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.931 4.177 -0.246 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.931 4.179 -0.248 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.138 173.836 0.302 1
1 5 . 8 1 1 A 8 8 GLN N N 8 119.891 121.003 -1.112 1
1 6 . 8 1 1 A 8 8 GLN H H 8 8.206 8.731 -0.525 1
1 7 . 8 1 1 A 8 8 GLN CA C 8 55.820 55.528 0.292 1
1 8 . 8 1 1 A 8 8 GLN HA H 8 4.341 4.363 -0.022 1
1 9 . 8 1 1 A 8 8 GLN CB C 8 29.497 28.137 1.360 1
1 18 . 8 1 1 A 8 8 GLN C C 8 176.071 175.070 1.001 1
1 19 . 8 1 1 A 9 9 LYS N N 9 122.781 122.688 0.093 1
1 20 . 8 1 1 A 9 9 LYS H H 9 8.408 7.538 0.870 1
1 21 . 8 1 1 A 9 9 LYS CA C 9 56.490 55.247 1.243 1
1 22 . 8 1 1 A 9 9 LYS HA H 9 4.292 4.955 -0.663 1
1 23 . 8 1 1 A 9 9 LYS CB C 9 33.055 34.401 -1.346 1
1 35 . 8 1 1 A 9 9 LYS C C 9 176.568 175.312 1.256 1
1 36 . 8 1 1 A 10 10 GLU N N 10 121.884 124.903 -3.019 1
1 37 . 8 1 1 A 10 10 GLU H H 10 8.435 8.612 -0.177 1
1 38 . 8 1 1 A 10 10 GLU CA C 10 56.644 55.922 0.722 1
1 39 . 8 1 1 A 10 10 GLU HA H 10 4.239 4.668 -0.429 1
1 40 . 8 1 1 A 10 10 GLU CB C 10 30.349 33.872 -3.523 1
1 46 . 8 1 1 A 10 10 GLU C C 10 176.223 174.560 1.663 1
1 47 . 8 1 1 A 11 11 LYS N N 11 122.536 125.265 -2.729 1
1 48 . 8 1 1 A 11 11 LYS H H 11 8.406 8.416 -0.010 1
1 49 . 8 1 1 A 11 11 LYS CA C 11 56.095 56.378 -0.283 1
1 50 . 8 1 1 A 11 11 LYS HA H 11 4.235 4.451 -0.216 1
1 51 . 8 1 1 A 11 11 LYS CB C 11 32.883 33.229 -0.346 1
1 63 . 8 1 1 A 11 11 LYS C C 11 175.448 175.548 -0.100 1
1 64 . 8 1 1 A 12 12 CYS N N 12 119.041 124.362 -5.321 1
1 65 . 8 1 1 A 12 12 CYS H H 12 7.970 8.808 -0.838 1
1 66 . 8 1 1 A 12 12 CYS CA C 12 57.850 56.887 0.963 1
1 67 . 8 1 1 A 12 12 CYS HA H 12 4.523 5.176 -0.653 1
1 68 . 8 1 1 A 12 12 CYS CB C 12 28.790 30.985 -2.195 1
1 71 . 8 1 1 A 12 12 CYS C C 12 173.137 173.107 0.030 1
1 72 . 8 1 1 A 13 13 PHE N N 13 123.659 124.702 -1.043 1
1 73 . 8 1 1 A 13 13 PHE H H 13 8.796 9.242 -0.446 1
1 74 . 8 1 1 A 13 13 PHE CA C 13 57.405 56.620 0.785 1
1 75 . 8 1 1 A 13 13 PHE HA H 13 4.636 5.246 -0.610 1
1 76 . 8 1 1 A 13 13 PHE CB C 13 39.505 41.180 -1.675 1
1 89 . 8 1 1 A 13 13 PHE C C 13 174.193 174.382 -0.189 1
1 90 . 8 1 1 A 14 14 LYS N N 14 125.302 124.767 0.535 1
1 91 . 8 1 1 A 14 14 LYS H H 14 8.659 9.092 -0.433 1
1 92 . 8 1 1 A 14 14 LYS CA C 14 55.196 54.996 0.200 1
1 93 . 8 1 1 A 14 14 LYS HA H 14 4.831 5.154 -0.323 1
1 94 . 8 1 1 A 14 14 LYS CB C 14 35.042 34.378 0.664 1
1 105 . 8 1 1 A 14 14 LYS C C 14 175.026 176.465 -1.439 1
1 106 . 8 1 1 A 15 15 CYS N N 15 127.929 124.095 3.834 1
1 107 . 8 1 1 A 15 15 CYS H H 15 8.710 8.942 -0.232 1
1 108 . 8 1 1 A 15 15 CYS CA C 15 60.083 58.472 1.611 1
1 109 . 8 1 1 A 15 15 CYS HA H 15 4.578 4.801 -0.223 1
1 110 . 8 1 1 A 15 15 CYS CB C 15 29.646 29.413 0.233 1
1 113 . 8 1 1 A 15 15 CYS C C 15 175.715 174.451 1.264 1
1 114 . 8 1 1 A 16 16 ASN N N 16 126.460 123.306 3.154 1
1 115 . 8 1 1 A 16 16 ASN H H 16 9.033 9.023 0.010 1
1 116 . 8 1 1 A 16 16 ASN CA C 16 54.820 54.723 0.097 1
1 117 . 8 1 1 A 16 16 ASN HA H 16 4.728 4.883 -0.155 1
1 118 . 8 1 1 A 16 16 ASN CB C 16 38.681 40.096 -1.415 1
1 124 . 8 1 1 A 16 16 ASN C C 16 176.123 177.324 -1.201 1
1 125 . 8 1 1 A 17 17 LYS N N 17 121.823 117.701 4.122 1
1 126 . 8 1 1 A 17 17 LYS H H 17 9.444 8.207 1.237 1
1 127 . 8 1 1 A 17 17 LYS CA C 17 56.577 59.251 -2.674 1
1 128 . 8 1 1 A 17 17 LYS HA H 17 4.368 3.827 0.541 1
1 129 . 8 1 1 A 17 17 LYS CB C 17 33.308 31.716 1.592 1
1 141 . 8 1 1 A 17 17 LYS C C 17 176.102 179.093 -2.991 1
1 142 . 8 1 1 A 18 18 CYS N N 18 118.544 116.838 1.706 1
1 143 . 8 1 1 A 18 18 CYS H H 18 7.918 7.696 0.222 1
1 144 . 8 1 1 A 18 18 CYS CA C 18 58.610 60.589 -1.979 1
1 145 . 8 1 1 A 18 18 CYS HA H 18 5.016 4.377 0.639 1
1 146 . 8 1 1 A 18 18 CYS CB C 18 30.648 28.688 1.960 1
1 149 . 8 1 1 A 18 18 CYS C C 18 173.625 175.076 -1.451 1
1 150 . 8 1 1 A 19 19 GLU N N 19 115.419 116.381 -0.962 1
1 151 . 8 1 1 A 19 19 GLU H H 19 8.498 7.959 0.539 1
1 152 . 8 1 1 A 19 19 GLU CA C 19 57.672 57.590 0.082 1
1 153 . 8 1 1 A 19 19 GLU HA H 19 4.229 4.230 -0.001 1
1 154 . 8 1 1 A 19 19 GLU CB C 19 28.577 27.170 1.407 1
1 160 . 8 1 1 A 19 19 GLU C C 19 176.219 174.982 1.237 1
1 161 . 8 1 1 A 20 20 LYS N N 20 122.785 118.258 4.527 1
1 162 . 8 1 1 A 20 20 LYS H H 20 8.283 7.242 1.041 1
1 163 . 8 1 1 A 20 20 LYS CA C 20 58.127 54.696 3.431 1
1 164 . 8 1 1 A 20 20 LYS HA H 20 4.033 4.643 -0.610 1
1 165 . 8 1 1 A 20 20 LYS CB C 20 33.528 33.998 -0.470 1
1 177 . 8 1 1 A 20 20 LYS C C 20 174.855 176.435 -1.580 1
1 178 . 8 1 1 A 21 21 THR N N 21 110.456 113.988 -3.532 1
1 179 . 8 1 1 A 21 21 THR H H 21 7.497 8.329 -0.832 1
1 180 . 8 1 1 A 21 21 THR CA C 21 59.617 60.866 -1.249 1
1 181 . 8 1 1 A 21 21 THR HA H 21 5.051 4.827 0.224 1
1 182 . 8 1 1 A 21 21 THR CB C 21 71.680 70.189 1.491 1
1 188 . 8 1 1 A 21 21 THR C C 21 173.142 173.702 -0.560 1
1 189 . 8 1 1 A 22 22 PHE N N 22 117.251 119.741 -2.490 1
1 190 . 8 1 1 A 22 22 PHE H H 22 8.746 8.710 0.036 1
1 191 . 8 1 1 A 22 22 PHE CA C 22 57.180 56.800 0.380 1
1 192 . 8 1 1 A 22 22 PHE HA H 22 4.963 5.015 -0.052 1
1 193 . 8 1 1 A 22 22 PHE CB C 22 44.791 43.357 1.434 1
1 206 . 8 1 1 A 22 22 PHE C C 22 176.046 176.183 -0.137 1
1 207 . 8 1 1 A 23 23 SER CA C 23 59.336 61.344 -2.008 1
1 208 . 8 1 1 A 23 23 SER HA H 23 4.754 4.507 0.247 1
1 209 . 8 1 1 A 23 23 SER CB C 23 64.271 64.036 0.235 1
1 212 . 8 1 1 A 24 24 CYS N N 24 113.033 117.731 -4.698 1
1 213 . 8 1 1 A 24 24 CYS H H 24 7.330 8.078 -0.748 1
1 214 . 8 1 1 A 24 24 CYS CA C 24 56.095 56.891 -0.796 1
1 215 . 8 1 1 A 24 24 CYS HA H 24 4.482 5.060 -0.578 1
1 216 . 8 1 1 A 24 24 CYS CB C 24 30.326 29.959 0.367 1
1 219 . 8 1 1 A 25 25 SER CA C 25 60.983 61.066 -0.083 1
1 220 . 8 1 1 A 25 25 SER HA H 25 3.348 3.399 -0.051 1
1 221 . 8 1 1 A 25 25 SER CB C 25 62.224 61.787 0.437 1
1 224 . 8 1 1 A 26 26 LYS H H 26 8.166 7.688 0.478 1
1 225 . 8 1 1 A 26 26 LYS CA C 26 59.574 59.297 0.277 1
1 226 . 8 1 1 A 26 26 LYS HA H 26 3.971 3.826 0.145 1
1 227 . 8 1 1 A 26 26 LYS CB C 26 31.930 32.159 -0.229 1
1 239 . 8 1 1 A 26 26 LYS C C 26 178.526 178.328 0.198 1
1 240 . 8 1 1 A 27 27 TYR N N 27 117.062 118.854 -1.792 1
1 241 . 8 1 1 A 27 27 TYR H H 27 6.995 7.248 -0.253 1
1 242 . 8 1 1 A 27 27 TYR CA C 27 57.700 60.309 -2.609 1
1 243 . 8 1 1 A 27 27 TYR HA H 27 4.498 4.213 0.285 1
1 244 . 8 1 1 A 27 27 TYR CB C 27 36.779 37.643 -0.864 1
1 255 . 8 1 1 A 27 27 TYR C C 27 178.560 177.974 0.586 1
1 256 . 8 1 1 A 28 28 LEU N N 28 122.433 121.230 1.203 1
1 257 . 8 1 1 A 28 28 LEU H H 28 7.156 7.878 -0.722 1
1 258 . 8 1 1 A 28 28 LEU CA C 28 58.234 57.885 0.349 1
1 259 . 8 1 1 A 28 28 LEU HA H 28 3.396 3.523 -0.127 1
1 260 . 8 1 1 A 28 28 LEU CB C 28 40.519 42.023 -1.504 1
1 273 . 8 1 1 A 28 28 LEU C C 28 177.446 178.264 -0.818 1
1 274 . 8 1 1 A 29 29 THR N N 29 115.799 113.769 2.030 1
1 275 . 8 1 1 A 29 29 THR H H 29 8.543 8.480 0.063 1
1 276 . 8 1 1 A 29 29 THR CA C 29 66.539 65.696 0.843 1
1 277 . 8 1 1 A 29 29 THR HA H 29 3.972 3.859 0.113 1
1 278 . 8 1 1 A 29 29 THR CB C 29 68.701 68.927 -0.226 1
1 284 . 8 1 1 A 29 29 THR C C 29 177.042 176.863 0.179 1
1 285 . 8 1 1 A 30 30 GLN N N 30 118.831 120.420 -1.589 1
1 286 . 8 1 1 A 30 30 GLN H H 30 7.568 8.016 -0.448 1
1 287 . 8 1 1 A 30 30 GLN CA C 30 58.801 58.558 0.243 1
1 288 . 8 1 1 A 30 30 GLN HA H 30 3.971 3.919 0.052 1
1 289 . 8 1 1 A 30 30 GLN CB C 30 28.596 28.512 0.084 1
1 298 . 8 1 1 A 30 30 GLN C C 30 178.233 178.276 -0.043 1
1 299 . 8 1 1 A 31 31 HIS N N 31 119.357 119.804 -0.447 1
1 300 . 8 1 1 A 31 31 HIS H H 31 7.565 8.121 -0.556 1
1 301 . 8 1 1 A 31 31 HIS CA C 31 59.086 59.914 -0.828 1
1 302 . 8 1 1 A 31 31 HIS HA H 31 4.227 4.138 0.089 1
1 303 . 8 1 1 A 31 31 HIS CB C 31 28.676 29.376 -0.700 1
1 310 . 8 1 1 A 31 31 HIS C C 31 176.294 176.954 -0.660 1
1 311 . 8 1 1 A 32 32 GLU N N 32 116.614 117.482 -0.868 1
1 312 . 8 1 1 A 32 32 GLU H H 32 8.508 8.722 -0.214 1
1 313 . 8 1 1 A 32 32 GLU CA C 32 60.064 60.023 0.041 1
1 314 . 8 1 1 A 32 32 GLU HA H 32 3.695 4.001 -0.306 1
1 315 . 8 1 1 A 32 32 GLU CB C 32 29.809 29.278 0.531 1
1 321 . 8 1 1 A 32 32 GLU C C 32 178.085 179.614 -1.529 1
1 322 . 8 1 1 A 33 33 ARG N N 33 116.851 120.099 -3.248 1
1 323 . 8 1 1 A 33 33 ARG H H 33 7.041 7.713 -0.672 1
1 324 . 8 1 1 A 33 33 ARG CA C 33 58.355 59.028 -0.673 1
1 325 . 8 1 1 A 33 33 ARG HA H 33 4.121 4.153 -0.032 1
1 326 . 8 1 1 A 33 33 ARG CB C 33 30.200 30.099 0.101 1
1 335 . 8 1 1 A 33 33 ARG C C 33 178.487 179.032 -0.545 1
1 336 . 8 1 1 A 34 34 ILE N N 34 116.576 118.141 -1.565 1
1 337 . 8 1 1 A 34 34 ILE H H 34 7.947 7.863 0.084 1
1 338 . 8 1 1 A 34 34 ILE CA C 34 63.154 64.088 -0.934 1
1 339 . 8 1 1 A 34 34 ILE HA H 34 3.952 3.691 0.261 1
1 340 . 8 1 1 A 34 34 ILE CB C 34 37.652 37.185 0.467 1
1 353 . 8 1 1 A 34 34 ILE C C 34 177.459 177.438 0.021 1
1 354 . 8 1 1 A 35 35 HIS N N 35 117.114 119.746 -2.632 1
1 355 . 8 1 1 A 35 35 HIS H H 35 7.243 6.914 0.329 1
1 356 . 8 1 1 A 35 35 HIS CA C 35 55.496 58.758 -3.262 1
1 357 . 8 1 1 A 35 35 HIS HA H 35 4.776 4.419 0.357 1
1 358 . 8 1 1 A 35 35 HIS CB C 35 28.583 30.984 -2.401 1
1 365 . 8 1 1 A 35 35 HIS C C 35 175.451 175.764 -0.313 1
1 366 . 8 1 1 A 36 36 THR N N 36 112.873 110.820 2.053 1
1 367 . 8 1 1 A 36 36 THR H H 36 7.691 7.641 0.050 1
1 368 . 8 1 1 A 36 36 THR CA C 36 62.256 61.457 0.799 1
1 369 . 8 1 1 A 36 36 THR HA H 36 4.377 4.246 0.131 1
1 370 . 8 1 1 A 36 36 THR CB C 36 69.760 68.037 1.723 1
1 376 . 8 1 1 A 36 36 THR C C 36 174.552 174.023 0.529 1
1 377 . 8 1 1 A 37 37 ARG N N 37 122.792 126.061 -3.269 1
1 378 . 8 1 1 A 37 37 ARG H H 37 8.176 8.602 -0.426 1
1 379 . 8 1 1 A 37 37 ARG CA C 37 56.728 57.208 -0.480 1
1 380 . 8 1 1 A 37 37 ARG HA H 37 4.369 4.572 -0.203 1
1 381 . 8 1 1 A 37 37 ARG CB C 37 30.703 32.532 -1.829 1
1 390 . 8 1 1 A 37 37 ARG C C 37 176.742 178.431 -1.689 1
1 391 . 8 1 1 A 38 38 GLY N N 38 110.024 107.507 2.517 1
1 392 . 8 1 1 A 38 38 GLY H H 38 8.396 8.246 0.150 1
1 393 . 8 1 1 A 38 38 GLY CA C 38 45.327 47.598 -2.271 1
1 394 . 8 1 1 A 38 38 GLY HA2 H 38 3.983 3.839 0.144 1
1 395 . 8 1 1 A 38 38 GLY HA3 H 38 3.983 3.842 0.141 1
1 396 . 8 1 1 A 38 38 GLY C C 38 174.010 174.814 -0.804 1
1 397 . 8 1 1 A 39 39 VAL N N 39 119.355 121.228 -1.873 1
1 398 . 8 1 1 A 39 39 VAL H H 39 7.972 7.452 0.520 1
1 399 . 8 1 1 A 39 39 VAL CA C 39 62.275 62.474 -0.199 1
1 400 . 8 1 1 A 39 39 VAL HA H 39 4.134 3.993 0.141 1
1 401 . 8 1 1 A 39 39 VAL CB C 39 32.877 32.545 0.332 1
1 411 . 8 1 1 A 39 39 VAL C C 39 176.275 175.310 0.965 1
1 412 . 8 1 1 A 40 40 LYS N N 40 125.416 130.025 -4.609 1
1 413 . 8 1 1 A 40 40 LYS H H 40 8.482 8.809 -0.327 1
1 414 . 8 1 1 A 40 40 LYS CA C 40 56.257 54.888 1.369 1
1 415 . 8 1 1 A 40 40 LYS HA H 40 4.392 4.915 -0.523 1
1 416 . 8 1 1 A 40 40 LYS CB C 40 33.006 34.592 -1.586 1
1 427 . 8 1 1 A 40 40 LYS C C 40 176.346 174.497 1.849 1
1 428 . 8 1 1 A 41 41 SER N N 41 117.710 123.089 -5.379 1
1 429 . 8 1 1 A 41 41 SER H H 41 8.326 8.763 -0.437 1
1 430 . 8 1 1 A 41 41 SER CA C 41 58.775 56.460 2.315 1
1 431 . 8 1 1 A 41 41 SER HA H 41 4.491 4.826 -0.335 1
1 432 . 8 1 1 A 41 41 SER CB C 41 63.841 64.489 -0.648 1
1 435 . 8 1 1 A 41 41 SER C C 41 173.882 174.103 -0.221 1
1 436 . 8 1 1 A 42 42 GLY N N 42 116.832 116.889 -0.057 1
1 437 . 8 1 1 A 42 42 GLY H H 42 8.057 8.517 -0.460 1
1 438 . 8 1 1 A 42 42 GLY CA C 42 44.640 44.970 -0.330 1
1 439 . 8 1 1 A 42 42 GLY HA2 H 42 4.144 4.198 -0.054 1
1 440 . 8 1 1 A 42 42 GLY HA3 H 42 4.144 4.198 -0.054 1
1 441 . 8 1 1 A 42 42 GLY C C 42 178.957 173.646 5.311 1
1 442 . 8 1 1 A 43 43 PRO CA C 43 63.377 64.576 -1.199 1
1 443 . 8 1 1 A 43 43 PRO HA H 43 4.491 4.452 0.039 1
1 444 . 8 1 1 A 43 43 PRO CB C 43 32.201 32.127 0.074 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.660 45.034 0.626 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.931 3.958 -0.027 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.931 3.960 -0.029 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.138 175.199 -1.061 1
1 5 . 9 1 1 A 8 8 GLN N N 8 119.891 119.238 0.653 1
1 6 . 9 1 1 A 8 8 GLN H H 8 8.206 8.686 -0.480 1
1 7 . 9 1 1 A 8 8 GLN CA C 8 55.820 56.616 -0.796 1
1 8 . 9 1 1 A 8 8 GLN HA H 8 4.341 4.535 -0.194 1
1 9 . 9 1 1 A 8 8 GLN CB C 8 29.497 30.539 -1.042 1
1 18 . 9 1 1 A 8 8 GLN C C 8 176.071 176.020 0.051 1
1 19 . 9 1 1 A 9 9 LYS N N 9 122.781 120.322 2.459 1
1 20 . 9 1 1 A 9 9 LYS H H 9 8.408 7.627 0.781 1
1 21 . 9 1 1 A 9 9 LYS CA C 9 56.490 56.487 0.003 1
1 22 . 9 1 1 A 9 9 LYS HA H 9 4.292 4.110 0.182 1
1 23 . 9 1 1 A 9 9 LYS CB C 9 33.055 32.727 0.328 1
1 35 . 9 1 1 A 9 9 LYS C C 9 176.568 175.945 0.623 1
1 36 . 9 1 1 A 10 10 GLU N N 10 121.884 125.890 -4.006 1
1 37 . 9 1 1 A 10 10 GLU H H 10 8.435 8.764 -0.329 1
1 38 . 9 1 1 A 10 10 GLU CA C 10 56.644 55.367 1.277 1
1 39 . 9 1 1 A 10 10 GLU HA H 10 4.239 4.897 -0.658 1
1 40 . 9 1 1 A 10 10 GLU CB C 10 30.349 30.427 -0.078 1
1 46 . 9 1 1 A 10 10 GLU C C 10 176.223 175.501 0.722 1
1 47 . 9 1 1 A 11 11 LYS N N 11 122.536 123.980 -1.444 1
1 48 . 9 1 1 A 11 11 LYS H H 11 8.406 8.465 -0.059 1
1 49 . 9 1 1 A 11 11 LYS CA C 11 56.095 55.938 0.157 1
1 50 . 9 1 1 A 11 11 LYS HA H 11 4.235 4.751 -0.516 1
1 51 . 9 1 1 A 11 11 LYS CB C 11 32.883 35.886 -3.003 1
1 63 . 9 1 1 A 11 11 LYS C C 11 175.448 174.068 1.380 1
1 64 . 9 1 1 A 12 12 CYS N N 12 119.041 124.100 -5.059 1
1 65 . 9 1 1 A 12 12 CYS H H 12 7.970 8.528 -0.558 1
1 66 . 9 1 1 A 12 12 CYS CA C 12 57.850 58.254 -0.404 1
1 67 . 9 1 1 A 12 12 CYS HA H 12 4.523 4.945 -0.422 1
1 68 . 9 1 1 A 12 12 CYS CB C 12 28.790 30.613 -1.823 1
1 71 . 9 1 1 A 12 12 CYS C C 12 173.137 173.336 -0.199 1
1 72 . 9 1 1 A 13 13 PHE N N 13 123.659 125.637 -1.978 1
1 73 . 9 1 1 A 13 13 PHE H H 13 8.796 8.565 0.231 1
1 74 . 9 1 1 A 13 13 PHE CA C 13 57.405 58.273 -0.868 1
1 75 . 9 1 1 A 13 13 PHE HA H 13 4.636 4.696 -0.060 1
1 76 . 9 1 1 A 13 13 PHE CB C 13 39.505 38.488 1.017 1
1 89 . 9 1 1 A 13 13 PHE C C 13 174.193 175.073 -0.880 1
1 90 . 9 1 1 A 14 14 LYS N N 14 125.302 125.686 -0.384 1
1 91 . 9 1 1 A 14 14 LYS H H 14 8.659 8.482 0.177 1
1 92 . 9 1 1 A 14 14 LYS CA C 14 55.196 54.320 0.876 1
1 93 . 9 1 1 A 14 14 LYS HA H 14 4.831 5.228 -0.397 1
1 94 . 9 1 1 A 14 14 LYS CB C 14 35.042 35.852 -0.810 1
1 105 . 9 1 1 A 14 14 LYS C C 14 175.026 175.394 -0.368 1
1 106 . 9 1 1 A 15 15 CYS N N 15 127.929 124.228 3.701 1
1 107 . 9 1 1 A 15 15 CYS H H 15 8.710 8.866 -0.156 1
1 108 . 9 1 1 A 15 15 CYS CA C 15 60.083 58.482 1.601 1
1 109 . 9 1 1 A 15 15 CYS HA H 15 4.578 4.663 -0.085 1
1 110 . 9 1 1 A 15 15 CYS CB C 15 29.646 29.462 0.184 1
1 113 . 9 1 1 A 15 15 CYS C C 15 175.715 174.425 1.290 1
1 114 . 9 1 1 A 16 16 ASN N N 16 126.460 122.635 3.825 1
1 115 . 9 1 1 A 16 16 ASN H H 16 9.033 8.952 0.081 1
1 116 . 9 1 1 A 16 16 ASN CA C 16 54.820 54.688 0.132 1
1 117 . 9 1 1 A 16 16 ASN HA H 16 4.728 4.893 -0.165 1
1 118 . 9 1 1 A 16 16 ASN CB C 16 38.681 40.337 -1.656 1
1 124 . 9 1 1 A 16 16 ASN C C 16 176.123 177.313 -1.190 1
1 125 . 9 1 1 A 17 17 LYS N N 17 121.823 117.950 3.873 1
1 126 . 9 1 1 A 17 17 LYS H H 17 9.444 8.226 1.218 1
1 127 . 9 1 1 A 17 17 LYS CA C 17 56.577 59.177 -2.600 1
1 128 . 9 1 1 A 17 17 LYS HA H 17 4.368 3.862 0.506 1
1 129 . 9 1 1 A 17 17 LYS CB C 17 33.308 31.826 1.482 1
1 141 . 9 1 1 A 17 17 LYS C C 17 176.102 179.055 -2.953 1
1 142 . 9 1 1 A 18 18 CYS N N 18 118.544 116.413 2.131 1
1 143 . 9 1 1 A 18 18 CYS H H 18 7.918 7.660 0.258 1
1 144 . 9 1 1 A 18 18 CYS CA C 18 58.610 60.629 -2.019 1
1 145 . 9 1 1 A 18 18 CYS HA H 18 5.016 4.416 0.600 1
1 146 . 9 1 1 A 18 18 CYS CB C 18 30.648 28.707 1.941 1
1 149 . 9 1 1 A 18 18 CYS C C 18 173.625 175.023 -1.398 1
1 150 . 9 1 1 A 19 19 GLU N N 19 115.419 116.430 -1.011 1
1 151 . 9 1 1 A 19 19 GLU H H 19 8.498 7.967 0.531 1
1 152 . 9 1 1 A 19 19 GLU CA C 19 57.672 57.586 0.086 1
1 153 . 9 1 1 A 19 19 GLU HA H 19 4.229 4.119 0.110 1
1 154 . 9 1 1 A 19 19 GLU CB C 19 28.577 27.255 1.322 1
1 160 . 9 1 1 A 19 19 GLU C C 19 176.219 175.061 1.158 1
1 161 . 9 1 1 A 20 20 LYS N N 20 122.785 118.573 4.212 1
1 162 . 9 1 1 A 20 20 LYS H H 20 8.283 7.385 0.898 1
1 163 . 9 1 1 A 20 20 LYS CA C 20 58.127 54.920 3.207 1
1 164 . 9 1 1 A 20 20 LYS HA H 20 4.033 4.736 -0.703 1
1 165 . 9 1 1 A 20 20 LYS CB C 20 33.528 33.937 -0.409 1
1 177 . 9 1 1 A 20 20 LYS C C 20 174.855 176.814 -1.959 1
1 178 . 9 1 1 A 21 21 THR N N 21 110.456 115.773 -5.317 1
1 179 . 9 1 1 A 21 21 THR H H 21 7.497 8.536 -1.039 1
1 180 . 9 1 1 A 21 21 THR CA C 21 59.617 61.793 -2.176 1
1 181 . 9 1 1 A 21 21 THR HA H 21 5.051 4.685 0.366 1
1 182 . 9 1 1 A 21 21 THR CB C 21 71.680 69.855 1.825 1
1 188 . 9 1 1 A 21 21 THR C C 21 173.142 174.178 -1.036 1
1 189 . 9 1 1 A 22 22 PHE N N 22 117.251 120.532 -3.281 1
1 190 . 9 1 1 A 22 22 PHE H H 22 8.746 9.059 -0.313 1
1 191 . 9 1 1 A 22 22 PHE CA C 22 57.180 56.615 0.565 1
1 192 . 9 1 1 A 22 22 PHE HA H 22 4.963 5.061 -0.098 1
1 193 . 9 1 1 A 22 22 PHE CB C 22 44.791 43.215 1.576 1
1 206 . 9 1 1 A 22 22 PHE C C 22 176.046 176.158 -0.112 1
1 207 . 9 1 1 A 23 23 SER CA C 23 59.336 60.292 -0.956 1
1 208 . 9 1 1 A 23 23 SER HA H 23 4.754 4.708 0.046 1
1 209 . 9 1 1 A 23 23 SER CB C 23 64.271 64.104 0.167 1
1 212 . 9 1 1 A 24 24 CYS N N 24 113.033 119.349 -6.316 1
1 213 . 9 1 1 A 24 24 CYS H H 24 7.330 8.144 -0.814 1
1 214 . 9 1 1 A 24 24 CYS CA C 24 56.095 57.456 -1.361 1
1 215 . 9 1 1 A 24 24 CYS HA H 24 4.482 4.947 -0.465 1
1 216 . 9 1 1 A 24 24 CYS CB C 24 30.326 30.342 -0.016 1
1 219 . 9 1 1 A 25 25 SER CA C 25 60.983 59.645 1.338 1
1 220 . 9 1 1 A 25 25 SER HA H 25 3.348 3.436 -0.088 1
1 221 . 9 1 1 A 25 25 SER CB C 25 62.224 62.772 -0.548 1
1 224 . 9 1 1 A 26 26 LYS H H 26 8.166 8.069 0.097 1
1 225 . 9 1 1 A 26 26 LYS CA C 26 59.574 58.921 0.653 1
1 226 . 9 1 1 A 26 26 LYS HA H 26 3.971 3.903 0.068 1
1 227 . 9 1 1 A 26 26 LYS CB C 26 31.930 31.829 0.101 1
1 239 . 9 1 1 A 26 26 LYS C C 26 178.526 178.344 0.182 1
1 240 . 9 1 1 A 27 27 TYR N N 27 117.062 119.368 -2.306 1
1 241 . 9 1 1 A 27 27 TYR H H 27 6.995 7.891 -0.896 1
1 242 . 9 1 1 A 27 27 TYR CA C 27 57.700 60.907 -3.207 1
1 243 . 9 1 1 A 27 27 TYR HA H 27 4.498 4.293 0.205 1
1 244 . 9 1 1 A 27 27 TYR CB C 27 36.779 37.874 -1.095 1
1 255 . 9 1 1 A 27 27 TYR C C 27 178.560 178.217 0.343 1
1 256 . 9 1 1 A 28 28 LEU N N 28 122.433 121.271 1.162 1
1 257 . 9 1 1 A 28 28 LEU H H 28 7.156 7.815 -0.659 1
1 258 . 9 1 1 A 28 28 LEU CA C 28 58.234 57.329 0.905 1
1 259 . 9 1 1 A 28 28 LEU HA H 28 3.396 3.147 0.249 1
1 260 . 9 1 1 A 28 28 LEU CB C 28 40.519 41.264 -0.745 1
1 273 . 9 1 1 A 28 28 LEU C C 28 177.446 178.417 -0.971 1
1 274 . 9 1 1 A 29 29 THR N N 29 115.799 114.150 1.649 1
1 275 . 9 1 1 A 29 29 THR H H 29 8.543 7.678 0.865 1
1 276 . 9 1 1 A 29 29 THR CA C 29 66.539 66.212 0.327 1
1 277 . 9 1 1 A 29 29 THR HA H 29 3.972 3.710 0.262 1
1 278 . 9 1 1 A 29 29 THR CB C 29 68.701 68.375 0.326 1
1 284 . 9 1 1 A 29 29 THR C C 29 177.042 176.595 0.447 1
1 285 . 9 1 1 A 30 30 GLN N N 30 118.831 120.911 -2.080 1
1 286 . 9 1 1 A 30 30 GLN H H 30 7.568 7.811 -0.243 1
1 287 . 9 1 1 A 30 30 GLN CA C 30 58.801 58.748 0.053 1
1 288 . 9 1 1 A 30 30 GLN HA H 30 3.971 3.897 0.074 1
1 289 . 9 1 1 A 30 30 GLN CB C 30 28.596 28.472 0.124 1
1 298 . 9 1 1 A 30 30 GLN C C 30 178.233 177.612 0.621 1
1 299 . 9 1 1 A 31 31 HIS N N 31 119.357 120.213 -0.856 1
1 300 . 9 1 1 A 31 31 HIS H H 31 7.565 7.735 -0.170 1
1 301 . 9 1 1 A 31 31 HIS CA C 31 59.086 59.775 -0.689 1
1 302 . 9 1 1 A 31 31 HIS HA H 31 4.227 4.130 0.097 1
1 303 . 9 1 1 A 31 31 HIS CB C 31 28.676 29.777 -1.101 1
1 310 . 9 1 1 A 31 31 HIS C C 31 176.294 176.484 -0.190 1
1 311 . 9 1 1 A 32 32 GLU N N 32 116.614 117.277 -0.663 1
1 312 . 9 1 1 A 32 32 GLU H H 32 8.508 8.800 -0.292 1
1 313 . 9 1 1 A 32 32 GLU CA C 32 60.064 59.885 0.179 1
1 314 . 9 1 1 A 32 32 GLU HA H 32 3.695 4.080 -0.385 1
1 315 . 9 1 1 A 32 32 GLU CB C 32 29.809 29.477 0.332 1
1 321 . 9 1 1 A 32 32 GLU C C 32 178.085 179.135 -1.050 1
1 322 . 9 1 1 A 33 33 ARG N N 33 116.851 119.489 -2.638 1
1 323 . 9 1 1 A 33 33 ARG H H 33 7.041 8.084 -1.043 1
1 324 . 9 1 1 A 33 33 ARG CA C 33 58.355 58.942 -0.587 1
1 325 . 9 1 1 A 33 33 ARG HA H 33 4.121 3.944 0.177 1
1 326 . 9 1 1 A 33 33 ARG CB C 33 30.200 29.858 0.342 1
1 335 . 9 1 1 A 33 33 ARG C C 33 178.487 178.565 -0.078 1
1 336 . 9 1 1 A 34 34 ILE N N 34 116.576 117.904 -1.328 1
1 337 . 9 1 1 A 34 34 ILE H H 34 7.947 8.062 -0.115 1
1 338 . 9 1 1 A 34 34 ILE CA C 34 63.154 64.054 -0.900 1
1 339 . 9 1 1 A 34 34 ILE HA H 34 3.952 3.728 0.224 1
1 340 . 9 1 1 A 34 34 ILE CB C 34 37.652 37.126 0.526 1
1 353 . 9 1 1 A 34 34 ILE C C 34 177.459 177.392 0.067 1
1 354 . 9 1 1 A 35 35 HIS N N 35 117.114 120.266 -3.152 1
1 355 . 9 1 1 A 35 35 HIS H H 35 7.243 7.389 -0.146 1
1 356 . 9 1 1 A 35 35 HIS CA C 35 55.496 58.864 -3.368 1
1 357 . 9 1 1 A 35 35 HIS HA H 35 4.776 4.477 0.299 1
1 358 . 9 1 1 A 35 35 HIS CB C 35 28.583 30.457 -1.874 1
1 365 . 9 1 1 A 35 35 HIS C C 35 175.451 176.954 -1.503 1
1 366 . 9 1 1 A 36 36 THR N N 36 112.873 111.618 1.255 1
1 367 . 9 1 1 A 36 36 THR H H 36 7.691 7.417 0.274 1
1 368 . 9 1 1 A 36 36 THR CA C 36 62.256 61.040 1.216 1
1 369 . 9 1 1 A 36 36 THR HA H 36 4.377 4.295 0.082 1
1 370 . 9 1 1 A 36 36 THR CB C 36 69.760 67.125 2.635 1
1 376 . 9 1 1 A 36 36 THR C C 36 174.552 174.901 -0.349 1
1 377 . 9 1 1 A 37 37 ARG N N 37 122.792 124.037 -1.245 1
1 378 . 9 1 1 A 37 37 ARG H H 37 8.176 8.258 -0.082 1
1 379 . 9 1 1 A 37 37 ARG CA C 37 56.728 58.608 -1.880 1
1 380 . 9 1 1 A 37 37 ARG HA H 37 4.369 4.060 0.309 1
1 381 . 9 1 1 A 37 37 ARG CB C 37 30.703 29.768 0.935 1
1 390 . 9 1 1 A 37 37 ARG C C 37 176.742 177.461 -0.719 1
1 391 . 9 1 1 A 38 38 GLY N N 38 110.024 109.526 0.498 1
1 392 . 9 1 1 A 38 38 GLY H H 38 8.396 7.777 0.619 1
1 393 . 9 1 1 A 38 38 GLY CA C 38 45.327 44.467 0.860 1
1 394 . 9 1 1 A 38 38 GLY HA2 H 38 3.983 4.056 -0.073 1
1 395 . 9 1 1 A 38 38 GLY HA3 H 38 3.983 4.060 -0.077 1
1 396 . 9 1 1 A 38 38 GLY C C 38 174.010 173.142 0.868 1
1 397 . 9 1 1 A 39 39 VAL N N 39 119.355 117.969 1.386 1
1 398 . 9 1 1 A 39 39 VAL H H 39 7.972 8.217 -0.245 1
1 399 . 9 1 1 A 39 39 VAL CA C 39 62.275 60.310 1.965 1
1 400 . 9 1 1 A 39 39 VAL HA H 39 4.134 4.638 -0.504 1
1 401 . 9 1 1 A 39 39 VAL CB C 39 32.877 34.367 -1.490 1
1 411 . 9 1 1 A 39 39 VAL C C 39 176.275 175.419 0.856 1
1 412 . 9 1 1 A 40 40 LYS N N 40 125.416 123.666 1.750 1
1 413 . 9 1 1 A 40 40 LYS H H 40 8.482 7.979 0.503 1
1 414 . 9 1 1 A 40 40 LYS CA C 40 56.257 57.110 -0.853 1
1 415 . 9 1 1 A 40 40 LYS HA H 40 4.392 4.155 0.237 1
1 416 . 9 1 1 A 40 40 LYS CB C 40 33.006 33.052 -0.046 1
1 427 . 9 1 1 A 40 40 LYS C C 40 176.346 176.463 -0.117 1
1 428 . 9 1 1 A 41 41 SER N N 41 117.710 119.865 -2.155 1
1 429 . 9 1 1 A 41 41 SER H H 41 8.326 8.508 -0.182 1
1 430 . 9 1 1 A 41 41 SER CA C 41 58.775 58.318 0.457 1
1 431 . 9 1 1 A 41 41 SER HA H 41 4.491 4.597 -0.106 1
1 432 . 9 1 1 A 41 41 SER CB C 41 63.841 61.970 1.871 1
1 435 . 9 1 1 A 41 41 SER C C 41 173.882 174.227 -0.345 1
1 436 . 9 1 1 A 42 42 GLY N N 42 116.832 112.365 4.467 1
1 437 . 9 1 1 A 42 42 GLY H H 42 8.057 7.995 0.062 1
1 438 . 9 1 1 A 42 42 GLY CA C 42 44.640 45.799 -1.159 1
1 439 . 9 1 1 A 42 42 GLY HA2 H 42 4.144 4.213 -0.069 1
1 440 . 9 1 1 A 42 42 GLY HA3 H 42 4.144 4.213 -0.069 1
1 441 . 9 1 1 A 42 42 GLY C C 42 178.957 171.700 7.257 1
1 442 . 9 1 1 A 43 43 PRO CA C 43 63.377 63.481 -0.104 1
1 443 . 9 1 1 A 43 43 PRO HA H 43 4.491 4.388 0.103 1
1 444 . 9 1 1 A 43 43 PRO CB C 43 32.201 31.282 0.919 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.660 44.080 1.580 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.931 4.059 -0.128 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.931 4.060 -0.129 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.138 172.960 1.178 1
1 5 . 10 1 1 A 8 8 GLN N N 8 119.891 117.463 2.428 1
1 6 . 10 1 1 A 8 8 GLN H H 8 8.206 8.359 -0.153 1
1 7 . 10 1 1 A 8 8 GLN CA C 8 55.820 54.807 1.013 1
1 8 . 10 1 1 A 8 8 GLN HA H 8 4.341 4.729 -0.388 1
1 9 . 10 1 1 A 8 8 GLN CB C 8 29.497 30.174 -0.677 1
1 18 . 10 1 1 A 8 8 GLN C C 8 176.071 175.553 0.518 1
1 19 . 10 1 1 A 9 9 LYS N N 9 122.781 119.119 3.662 1
1 20 . 10 1 1 A 9 9 LYS H H 9 8.408 8.775 -0.367 1
1 21 . 10 1 1 A 9 9 LYS CA C 9 56.490 56.018 0.472 1
1 22 . 10 1 1 A 9 9 LYS HA H 9 4.292 4.493 -0.201 1
1 23 . 10 1 1 A 9 9 LYS CB C 9 33.055 34.445 -1.390 1
1 35 . 10 1 1 A 9 9 LYS C C 9 176.568 176.021 0.547 1
1 36 . 10 1 1 A 10 10 GLU N N 10 121.884 116.426 5.458 1
1 37 . 10 1 1 A 10 10 GLU H H 10 8.435 7.913 0.522 1
1 38 . 10 1 1 A 10 10 GLU CA C 10 56.644 57.552 -0.908 1
1 39 . 10 1 1 A 10 10 GLU HA H 10 4.239 3.847 0.392 1
1 40 . 10 1 1 A 10 10 GLU CB C 10 30.349 27.296 3.053 1
1 46 . 10 1 1 A 10 10 GLU C C 10 176.223 174.695 1.528 1
1 47 . 10 1 1 A 11 11 LYS N N 11 122.536 115.913 6.623 1
1 48 . 10 1 1 A 11 11 LYS H H 11 8.406 7.933 0.473 1
1 49 . 10 1 1 A 11 11 LYS CA C 11 56.095 55.647 0.448 1
1 50 . 10 1 1 A 11 11 LYS HA H 11 4.235 4.443 -0.208 1
1 51 . 10 1 1 A 11 11 LYS CB C 11 32.883 32.639 0.244 1
1 63 . 10 1 1 A 11 11 LYS C C 11 175.448 175.334 0.114 1
1 64 . 10 1 1 A 12 12 CYS N N 12 119.041 122.372 -3.331 1
1 65 . 10 1 1 A 12 12 CYS H H 12 7.970 8.762 -0.792 1
1 66 . 10 1 1 A 12 12 CYS CA C 12 57.850 57.396 0.454 1
1 67 . 10 1 1 A 12 12 CYS HA H 12 4.523 5.310 -0.787 1
1 68 . 10 1 1 A 12 12 CYS CB C 12 28.790 30.189 -1.399 1
1 71 . 10 1 1 A 12 12 CYS C C 12 173.137 173.247 -0.110 1
1 72 . 10 1 1 A 13 13 PHE N N 13 123.659 122.628 1.031 1
1 73 . 10 1 1 A 13 13 PHE H H 13 8.796 9.079 -0.283 1
1 74 . 10 1 1 A 13 13 PHE CA C 13 57.405 56.878 0.527 1
1 75 . 10 1 1 A 13 13 PHE HA H 13 4.636 5.160 -0.524 1
1 76 . 10 1 1 A 13 13 PHE CB C 13 39.505 40.033 -0.528 1
1 89 . 10 1 1 A 13 13 PHE C C 13 174.193 174.718 -0.525 1
1 90 . 10 1 1 A 14 14 LYS N N 14 125.302 125.380 -0.078 1
1 91 . 10 1 1 A 14 14 LYS H H 14 8.659 8.962 -0.303 1
1 92 . 10 1 1 A 14 14 LYS CA C 14 55.196 54.807 0.389 1
1 93 . 10 1 1 A 14 14 LYS HA H 14 4.831 5.312 -0.481 1
1 94 . 10 1 1 A 14 14 LYS CB C 14 35.042 34.736 0.306 1
1 105 . 10 1 1 A 14 14 LYS C C 14 175.026 176.489 -1.463 1
1 106 . 10 1 1 A 15 15 CYS N N 15 127.929 124.579 3.350 1
1 107 . 10 1 1 A 15 15 CYS H H 15 8.710 8.856 -0.146 1
1 108 . 10 1 1 A 15 15 CYS CA C 15 60.083 59.090 0.993 1
1 109 . 10 1 1 A 15 15 CYS HA H 15 4.578 4.701 -0.123 1
1 110 . 10 1 1 A 15 15 CYS CB C 15 29.646 29.080 0.566 1
1 113 . 10 1 1 A 15 15 CYS C C 15 175.715 176.684 -0.969 1
1 114 . 10 1 1 A 16 16 ASN N N 16 126.460 121.993 4.467 1
1 115 . 10 1 1 A 16 16 ASN H H 16 9.033 8.808 0.225 1
1 116 . 10 1 1 A 16 16 ASN CA C 16 54.820 52.461 2.359 1
1 117 . 10 1 1 A 16 16 ASN HA H 16 4.728 4.881 -0.153 1
1 118 . 10 1 1 A 16 16 ASN CB C 16 38.681 37.813 0.868 1
1 124 . 10 1 1 A 16 16 ASN C C 16 176.123 174.760 1.363 1
1 125 . 10 1 1 A 17 17 LYS N N 17 121.823 117.227 4.596 1
1 126 . 10 1 1 A 17 17 LYS H H 17 9.444 7.863 1.581 1
1 127 . 10 1 1 A 17 17 LYS CA C 17 56.577 57.056 -0.479 1
1 128 . 10 1 1 A 17 17 LYS HA H 17 4.368 4.395 -0.027 1
1 129 . 10 1 1 A 17 17 LYS CB C 17 33.308 34.541 -1.233 1
1 141 . 10 1 1 A 17 17 LYS C C 17 176.102 177.777 -1.675 1
1 142 . 10 1 1 A 18 18 CYS N N 18 118.544 114.870 3.674 1
1 143 . 10 1 1 A 18 18 CYS H H 18 7.918 8.077 -0.159 1
1 144 . 10 1 1 A 18 18 CYS CA C 18 58.610 59.899 -1.289 1
1 145 . 10 1 1 A 18 18 CYS HA H 18 5.016 4.478 0.538 1
1 146 . 10 1 1 A 18 18 CYS CB C 18 30.648 29.216 1.432 1
1 149 . 10 1 1 A 18 18 CYS C C 18 173.625 175.154 -1.529 1
1 150 . 10 1 1 A 19 19 GLU N N 19 115.419 116.379 -0.960 1
1 151 . 10 1 1 A 19 19 GLU H H 19 8.498 8.000 0.498 1
1 152 . 10 1 1 A 19 19 GLU CA C 19 57.672 57.591 0.081 1
1 153 . 10 1 1 A 19 19 GLU HA H 19 4.229 4.087 0.142 1
1 154 . 10 1 1 A 19 19 GLU CB C 19 28.577 27.287 1.290 1
1 160 . 10 1 1 A 19 19 GLU C C 19 176.219 174.938 1.281 1
1 161 . 10 1 1 A 20 20 LYS N N 20 122.785 118.236 4.549 1
1 162 . 10 1 1 A 20 20 LYS H H 20 8.283 7.740 0.543 1
1 163 . 10 1 1 A 20 20 LYS CA C 20 58.127 54.808 3.319 1
1 164 . 10 1 1 A 20 20 LYS HA H 20 4.033 4.694 -0.661 1
1 165 . 10 1 1 A 20 20 LYS CB C 20 33.528 34.217 -0.689 1
1 177 . 10 1 1 A 20 20 LYS C C 20 174.855 176.177 -1.322 1
1 178 . 10 1 1 A 21 21 THR N N 21 110.456 113.908 -3.452 1
1 179 . 10 1 1 A 21 21 THR H H 21 7.497 8.391 -0.894 1
1 180 . 10 1 1 A 21 21 THR CA C 21 59.617 60.986 -1.369 1
1 181 . 10 1 1 A 21 21 THR HA H 21 5.051 4.881 0.170 1
1 182 . 10 1 1 A 21 21 THR CB C 21 71.680 70.146 1.534 1
1 188 . 10 1 1 A 21 21 THR C C 21 173.142 174.008 -0.866 1
1 189 . 10 1 1 A 22 22 PHE N N 22 117.251 121.366 -4.115 1
1 190 . 10 1 1 A 22 22 PHE H H 22 8.746 8.898 -0.152 1
1 191 . 10 1 1 A 22 22 PHE CA C 22 57.180 56.744 0.436 1
1 192 . 10 1 1 A 22 22 PHE HA H 22 4.963 4.990 -0.027 1
1 193 . 10 1 1 A 22 22 PHE CB C 22 44.791 42.589 2.202 1
1 206 . 10 1 1 A 22 22 PHE C C 22 176.046 175.935 0.111 1
1 207 . 10 1 1 A 23 23 SER CA C 23 59.336 60.101 -0.765 1
1 208 . 10 1 1 A 23 23 SER HA H 23 4.754 4.695 0.059 1
1 209 . 10 1 1 A 23 23 SER CB C 23 64.271 64.345 -0.074 1
1 212 . 10 1 1 A 24 24 CYS N N 24 113.033 119.581 -6.548 1
1 213 . 10 1 1 A 24 24 CYS H H 24 7.330 8.144 -0.814 1
1 214 . 10 1 1 A 24 24 CYS CA C 24 56.095 57.832 -1.737 1
1 215 . 10 1 1 A 24 24 CYS HA H 24 4.482 4.791 -0.309 1
1 216 . 10 1 1 A 24 24 CYS CB C 24 30.326 29.722 0.604 1
1 219 . 10 1 1 A 25 25 SER CA C 25 60.983 61.054 -0.071 1
1 220 . 10 1 1 A 25 25 SER HA H 25 3.348 3.670 -0.322 1
1 221 . 10 1 1 A 25 25 SER CB C 25 62.224 62.518 -0.294 1
1 224 . 10 1 1 A 26 26 LYS H H 26 8.166 7.984 0.182 1
1 225 . 10 1 1 A 26 26 LYS CA C 26 59.574 59.404 0.170 1
1 226 . 10 1 1 A 26 26 LYS HA H 26 3.971 3.837 0.134 1
1 227 . 10 1 1 A 26 26 LYS CB C 26 31.930 31.967 -0.037 1
1 239 . 10 1 1 A 26 26 LYS C C 26 178.526 178.093 0.433 1
1 240 . 10 1 1 A 27 27 TYR N N 27 117.062 119.073 -2.011 1
1 241 . 10 1 1 A 27 27 TYR H H 27 6.995 7.554 -0.559 1
1 242 . 10 1 1 A 27 27 TYR CA C 27 57.700 60.159 -2.459 1
1 243 . 10 1 1 A 27 27 TYR HA H 27 4.498 4.289 0.209 1
1 244 . 10 1 1 A 27 27 TYR CB C 27 36.779 38.084 -1.305 1
1 255 . 10 1 1 A 27 27 TYR C C 27 178.560 178.138 0.422 1
1 256 . 10 1 1 A 28 28 LEU N N 28 122.433 121.217 1.216 1
1 257 . 10 1 1 A 28 28 LEU H H 28 7.156 7.883 -0.727 1
1 258 . 10 1 1 A 28 28 LEU CA C 28 58.234 57.846 0.388 1
1 259 . 10 1 1 A 28 28 LEU HA H 28 3.396 3.392 0.004 1
1 260 . 10 1 1 A 28 28 LEU CB C 28 40.519 41.622 -1.103 1
1 273 . 10 1 1 A 28 28 LEU C C 28 177.446 178.323 -0.877 1
1 274 . 10 1 1 A 29 29 THR N N 29 115.799 114.088 1.711 1
1 275 . 10 1 1 A 29 29 THR H H 29 8.543 8.131 0.412 1
1 276 . 10 1 1 A 29 29 THR CA C 29 66.539 66.279 0.260 1
1 277 . 10 1 1 A 29 29 THR HA H 29 3.972 3.740 0.232 1
1 278 . 10 1 1 A 29 29 THR CB C 29 68.701 68.450 0.251 1
1 284 . 10 1 1 A 29 29 THR C C 29 177.042 176.675 0.367 1
1 285 . 10 1 1 A 30 30 GLN N N 30 118.831 120.888 -2.057 1
1 286 . 10 1 1 A 30 30 GLN H H 30 7.568 7.920 -0.352 1
1 287 . 10 1 1 A 30 30 GLN CA C 30 58.801 58.948 -0.147 1
1 288 . 10 1 1 A 30 30 GLN HA H 30 3.971 3.831 0.140 1
1 289 . 10 1 1 A 30 30 GLN CB C 30 28.596 28.310 0.286 1
1 298 . 10 1 1 A 30 30 GLN C C 30 178.233 177.675 0.558 1
1 299 . 10 1 1 A 31 31 HIS N N 31 119.357 119.827 -0.470 1
1 300 . 10 1 1 A 31 31 HIS H H 31 7.565 7.782 -0.217 1
1 301 . 10 1 1 A 31 31 HIS CA C 31 59.086 59.713 -0.627 1
1 302 . 10 1 1 A 31 31 HIS HA H 31 4.227 4.120 0.107 1
1 303 . 10 1 1 A 31 31 HIS CB C 31 28.676 29.731 -1.055 1
1 310 . 10 1 1 A 31 31 HIS C C 31 176.294 176.577 -0.283 1
1 311 . 10 1 1 A 32 32 GLU N N 32 116.614 117.083 -0.469 1
1 312 . 10 1 1 A 32 32 GLU H H 32 8.508 8.820 -0.312 1
1 313 . 10 1 1 A 32 32 GLU CA C 32 60.064 59.911 0.153 1
1 314 . 10 1 1 A 32 32 GLU HA H 32 3.695 3.991 -0.296 1
1 315 . 10 1 1 A 32 32 GLU CB C 32 29.809 29.467 0.342 1
1 321 . 10 1 1 A 32 32 GLU C C 32 178.085 179.173 -1.088 1
1 322 . 10 1 1 A 33 33 ARG N N 33 116.851 119.518 -2.667 1
1 323 . 10 1 1 A 33 33 ARG H H 33 7.041 7.850 -0.809 1
1 324 . 10 1 1 A 33 33 ARG CA C 33 58.355 59.038 -0.683 1
1 325 . 10 1 1 A 33 33 ARG HA H 33 4.121 4.263 -0.142 1
1 326 . 10 1 1 A 33 33 ARG CB C 33 30.200 29.887 0.313 1
1 335 . 10 1 1 A 33 33 ARG C C 33 178.487 178.455 0.032 1
1 336 . 10 1 1 A 34 34 ILE N N 34 116.576 117.603 -1.027 1
1 337 . 10 1 1 A 34 34 ILE H H 34 7.947 8.046 -0.099 1
1 338 . 10 1 1 A 34 34 ILE CA C 34 63.154 64.047 -0.893 1
1 339 . 10 1 1 A 34 34 ILE HA H 34 3.952 3.756 0.196 1
1 340 . 10 1 1 A 34 34 ILE CB C 34 37.652 37.128 0.524 1
1 353 . 10 1 1 A 34 34 ILE C C 34 177.459 177.380 0.079 1
1 354 . 10 1 1 A 35 35 HIS N N 35 117.114 121.068 -3.954 1
1 355 . 10 1 1 A 35 35 HIS H H 35 7.243 7.414 -0.171 1
1 356 . 10 1 1 A 35 35 HIS CA C 35 55.496 59.076 -3.580 1
1 357 . 10 1 1 A 35 35 HIS HA H 35 4.776 4.442 0.334 1
1 358 . 10 1 1 A 35 35 HIS CB C 35 28.583 30.589 -2.006 1
1 365 . 10 1 1 A 35 35 HIS C C 35 175.451 177.744 -2.293 1
1 366 . 10 1 1 A 36 36 THR N N 36 112.873 112.301 0.572 1
1 367 . 10 1 1 A 36 36 THR H H 36 7.691 8.029 -0.338 1
1 368 . 10 1 1 A 36 36 THR CA C 36 62.256 65.524 -3.268 1
1 369 . 10 1 1 A 36 36 THR HA H 36 4.377 4.109 0.268 1
1 370 . 10 1 1 A 36 36 THR CB C 36 69.760 68.247 1.513 1
1 376 . 10 1 1 A 36 36 THR C C 36 174.552 175.046 -0.494 1
1 377 . 10 1 1 A 37 37 ARG N N 37 122.792 120.602 2.190 1
1 378 . 10 1 1 A 37 37 ARG H H 37 8.176 7.839 0.337 1
1 379 . 10 1 1 A 37 37 ARG CA C 37 56.728 54.763 1.965 1
1 380 . 10 1 1 A 37 37 ARG HA H 37 4.369 4.529 -0.160 1
1 381 . 10 1 1 A 37 37 ARG CB C 37 30.703 30.950 -0.247 1
1 390 . 10 1 1 A 37 37 ARG C C 37 176.742 175.554 1.188 1
1 391 . 10 1 1 A 38 38 GLY N N 38 110.024 110.335 -0.311 1
1 392 . 10 1 1 A 38 38 GLY H H 38 8.396 8.327 0.069 1
1 393 . 10 1 1 A 38 38 GLY CA C 38 45.327 45.549 -0.222 1
1 394 . 10 1 1 A 38 38 GLY HA2 H 38 3.983 4.001 -0.018 1
1 395 . 10 1 1 A 38 38 GLY HA3 H 38 3.983 4.033 -0.050 1
1 396 . 10 1 1 A 38 38 GLY C C 38 174.010 173.753 0.257 1
1 397 . 10 1 1 A 39 39 VAL N N 39 119.355 122.186 -2.831 1
1 398 . 10 1 1 A 39 39 VAL H H 39 7.972 8.384 -0.412 1
1 399 . 10 1 1 A 39 39 VAL CA C 39 62.275 63.398 -1.123 1
1 400 . 10 1 1 A 39 39 VAL HA H 39 4.134 3.962 0.172 1
1 401 . 10 1 1 A 39 39 VAL CB C 39 32.877 32.101 0.776 1
1 411 . 10 1 1 A 39 39 VAL C C 39 176.275 175.875 0.400 1
1 412 . 10 1 1 A 40 40 LYS N N 40 125.416 126.291 -0.875 1
1 413 . 10 1 1 A 40 40 LYS H H 40 8.482 8.588 -0.106 1
1 414 . 10 1 1 A 40 40 LYS CA C 40 56.257 54.372 1.885 1
1 415 . 10 1 1 A 40 40 LYS HA H 40 4.392 4.718 -0.326 1
1 416 . 10 1 1 A 40 40 LYS CB C 40 33.006 35.530 -2.524 1
1 427 . 10 1 1 A 40 40 LYS C C 40 176.346 176.111 0.235 1
1 428 . 10 1 1 A 41 41 SER N N 41 117.710 115.750 1.960 1
1 429 . 10 1 1 A 41 41 SER H H 41 8.326 8.888 -0.562 1
1 430 . 10 1 1 A 41 41 SER CA C 41 58.775 59.088 -0.313 1
1 431 . 10 1 1 A 41 41 SER HA H 41 4.491 4.786 -0.295 1
1 432 . 10 1 1 A 41 41 SER CB C 41 63.841 65.079 -1.238 1
1 435 . 10 1 1 A 41 41 SER C C 41 173.882 174.433 -0.551 1
1 436 . 10 1 1 A 42 42 GLY N N 42 116.832 105.683 11.149 1
1 437 . 10 1 1 A 42 42 GLY H H 42 8.057 7.284 0.773 1
1 438 . 10 1 1 A 42 42 GLY CA C 42 44.640 45.306 -0.666 1
1 439 . 10 1 1 A 42 42 GLY HA2 H 42 4.144 4.070 0.074 1
1 440 . 10 1 1 A 42 42 GLY HA3 H 42 4.144 4.070 0.074 1
1 441 . 10 1 1 A 42 42 GLY C C 42 178.957 174.092 4.865 1
1 442 . 10 1 1 A 43 43 PRO CA C 43 63.377 64.092 -0.715 1
1 443 . 10 1 1 A 43 43 PRO HA H 43 4.491 4.496 -0.005 1
1 444 . 10 1 1 A 43 43 PRO CB C 43 32.201 31.719 0.482 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.660 43.641 2.019 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.931 4.405 -0.474 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.931 4.408 -0.477 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.138 174.789 -0.651 1
1 5 . 11 1 1 A 8 8 GLN N N 8 119.891 118.652 1.239 1
1 6 . 11 1 1 A 8 8 GLN H H 8 8.206 8.918 -0.712 1
1 7 . 11 1 1 A 8 8 GLN CA C 8 55.820 58.785 -2.965 1
1 8 . 11 1 1 A 8 8 GLN HA H 8 4.341 4.076 0.265 1
1 9 . 11 1 1 A 8 8 GLN CB C 8 29.497 28.107 1.390 1
1 18 . 11 1 1 A 8 8 GLN C C 8 176.071 177.862 -1.791 1
1 19 . 11 1 1 A 9 9 LYS N N 9 122.781 118.639 4.142 1
1 20 . 11 1 1 A 9 9 LYS H H 9 8.408 7.865 0.543 1
1 21 . 11 1 1 A 9 9 LYS CA C 9 56.490 59.343 -2.853 1
1 22 . 11 1 1 A 9 9 LYS HA H 9 4.292 4.012 0.280 1
1 23 . 11 1 1 A 9 9 LYS CB C 9 33.055 32.293 0.762 1
1 35 . 11 1 1 A 9 9 LYS C C 9 176.568 176.970 -0.402 1
1 36 . 11 1 1 A 10 10 GLU N N 10 121.884 117.209 4.675 1
1 37 . 11 1 1 A 10 10 GLU H H 10 8.435 8.114 0.321 1
1 38 . 11 1 1 A 10 10 GLU CA C 10 56.644 55.038 1.606 1
1 39 . 11 1 1 A 10 10 GLU HA H 10 4.239 4.752 -0.513 1
1 40 . 11 1 1 A 10 10 GLU CB C 10 30.349 32.179 -1.830 1
1 46 . 11 1 1 A 10 10 GLU C C 10 176.223 174.569 1.654 1
1 47 . 11 1 1 A 11 11 LYS N N 11 122.536 124.798 -2.262 1
1 48 . 11 1 1 A 11 11 LYS H H 11 8.406 8.965 -0.559 1
1 49 . 11 1 1 A 11 11 LYS CA C 11 56.095 54.612 1.483 1
1 50 . 11 1 1 A 11 11 LYS HA H 11 4.235 4.835 -0.600 1
1 51 . 11 1 1 A 11 11 LYS CB C 11 32.883 34.072 -1.189 1
1 63 . 11 1 1 A 11 11 LYS C C 11 175.448 174.408 1.040 1
1 64 . 11 1 1 A 12 12 CYS N N 12 119.041 126.712 -7.671 1
1 65 . 11 1 1 A 12 12 CYS H H 12 7.970 8.913 -0.943 1
1 66 . 11 1 1 A 12 12 CYS CA C 12 57.850 56.567 1.283 1
1 67 . 11 1 1 A 12 12 CYS HA H 12 4.523 4.800 -0.277 1
1 68 . 11 1 1 A 12 12 CYS CB C 12 28.790 30.423 -1.633 1
1 71 . 11 1 1 A 12 12 CYS C C 12 173.137 173.245 -0.108 1
1 72 . 11 1 1 A 13 13 PHE N N 13 123.659 127.376 -3.717 1
1 73 . 11 1 1 A 13 13 PHE H H 13 8.796 8.552 0.244 1
1 74 . 11 1 1 A 13 13 PHE CA C 13 57.405 58.096 -0.691 1
1 75 . 11 1 1 A 13 13 PHE HA H 13 4.636 4.810 -0.174 1
1 76 . 11 1 1 A 13 13 PHE CB C 13 39.505 38.619 0.886 1
1 89 . 11 1 1 A 13 13 PHE C C 13 174.193 174.963 -0.770 1
1 90 . 11 1 1 A 14 14 LYS N N 14 125.302 125.320 -0.018 1
1 91 . 11 1 1 A 14 14 LYS H H 14 8.659 8.986 -0.327 1
1 92 . 11 1 1 A 14 14 LYS CA C 14 55.196 54.527 0.669 1
1 93 . 11 1 1 A 14 14 LYS HA H 14 4.831 5.046 -0.215 1
1 94 . 11 1 1 A 14 14 LYS CB C 14 35.042 35.083 -0.041 1
1 105 . 11 1 1 A 14 14 LYS C C 14 175.026 176.054 -1.028 1
1 106 . 11 1 1 A 15 15 CYS N N 15 127.929 125.272 2.657 1
1 107 . 11 1 1 A 15 15 CYS H H 15 8.710 8.677 0.033 1
1 108 . 11 1 1 A 15 15 CYS CA C 15 60.083 59.446 0.637 1
1 109 . 11 1 1 A 15 15 CYS HA H 15 4.578 4.588 -0.010 1
1 110 . 11 1 1 A 15 15 CYS CB C 15 29.646 29.026 0.620 1
1 113 . 11 1 1 A 15 15 CYS C C 15 175.715 175.621 0.094 1
1 114 . 11 1 1 A 16 16 ASN N N 16 126.460 121.891 4.569 1
1 115 . 11 1 1 A 16 16 ASN H H 16 9.033 8.537 0.496 1
1 116 . 11 1 1 A 16 16 ASN CA C 16 54.820 54.413 0.407 1
1 117 . 11 1 1 A 16 16 ASN HA H 16 4.728 4.794 -0.066 1
1 118 . 11 1 1 A 16 16 ASN CB C 16 38.681 39.735 -1.054 1
1 124 . 11 1 1 A 16 16 ASN C C 16 176.123 177.162 -1.039 1
1 125 . 11 1 1 A 17 17 LYS N N 17 121.823 118.414 3.409 1
1 126 . 11 1 1 A 17 17 LYS H H 17 9.444 8.145 1.299 1
1 127 . 11 1 1 A 17 17 LYS CA C 17 56.577 59.035 -2.458 1
1 128 . 11 1 1 A 17 17 LYS HA H 17 4.368 3.869 0.499 1
1 129 . 11 1 1 A 17 17 LYS CB C 17 33.308 31.681 1.627 1
1 141 . 11 1 1 A 17 17 LYS C C 17 176.102 179.111 -3.009 1
1 142 . 11 1 1 A 18 18 CYS N N 18 118.544 116.307 2.237 1
1 143 . 11 1 1 A 18 18 CYS H H 18 7.918 7.637 0.281 1
1 144 . 11 1 1 A 18 18 CYS CA C 18 58.610 60.442 -1.832 1
1 145 . 11 1 1 A 18 18 CYS HA H 18 5.016 4.397 0.619 1
1 146 . 11 1 1 A 18 18 CYS CB C 18 30.648 28.906 1.742 1
1 149 . 11 1 1 A 18 18 CYS C C 18 173.625 175.061 -1.436 1
1 150 . 11 1 1 A 19 19 GLU N N 19 115.419 116.447 -1.028 1
1 151 . 11 1 1 A 19 19 GLU H H 19 8.498 7.987 0.511 1
1 152 . 11 1 1 A 19 19 GLU CA C 19 57.672 57.582 0.090 1
1 153 . 11 1 1 A 19 19 GLU HA H 19 4.229 4.234 -0.005 1
1 154 . 11 1 1 A 19 19 GLU CB C 19 28.577 27.123 1.454 1
1 160 . 11 1 1 A 19 19 GLU C C 19 176.219 175.081 1.138 1
1 161 . 11 1 1 A 20 20 LYS N N 20 122.785 118.540 4.245 1
1 162 . 11 1 1 A 20 20 LYS H H 20 8.283 7.380 0.903 1
1 163 . 11 1 1 A 20 20 LYS CA C 20 58.127 55.104 3.023 1
1 164 . 11 1 1 A 20 20 LYS HA H 20 4.033 4.647 -0.614 1
1 165 . 11 1 1 A 20 20 LYS CB C 20 33.528 33.595 -0.067 1
1 177 . 11 1 1 A 20 20 LYS C C 20 174.855 176.451 -1.596 1
1 178 . 11 1 1 A 21 21 THR N N 21 110.456 115.743 -5.287 1
1 179 . 11 1 1 A 21 21 THR H H 21 7.497 8.510 -1.013 1
1 180 . 11 1 1 A 21 21 THR CA C 21 59.617 61.616 -1.999 1
1 181 . 11 1 1 A 21 21 THR HA H 21 5.051 4.740 0.311 1
1 182 . 11 1 1 A 21 21 THR CB C 21 71.680 69.843 1.837 1
1 188 . 11 1 1 A 21 21 THR C C 21 173.142 174.190 -1.048 1
1 189 . 11 1 1 A 22 22 PHE N N 22 117.251 121.599 -4.348 1
1 190 . 11 1 1 A 22 22 PHE H H 22 8.746 8.688 0.058 1
1 191 . 11 1 1 A 22 22 PHE CA C 22 57.180 56.817 0.363 1
1 192 . 11 1 1 A 22 22 PHE HA H 22 4.963 4.932 0.031 1
1 193 . 11 1 1 A 22 22 PHE CB C 22 44.791 42.448 2.343 1
1 206 . 11 1 1 A 22 22 PHE C C 22 176.046 176.331 -0.285 1
1 207 . 11 1 1 A 23 23 SER CA C 23 59.336 60.916 -1.580 1
1 208 . 11 1 1 A 23 23 SER HA H 23 4.754 4.512 0.242 1
1 209 . 11 1 1 A 23 23 SER CB C 23 64.271 63.122 1.149 1
1 212 . 11 1 1 A 24 24 CYS N N 24 113.033 117.108 -4.075 1
1 213 . 11 1 1 A 24 24 CYS H H 24 7.330 8.320 -0.990 1
1 214 . 11 1 1 A 24 24 CYS CA C 24 56.095 57.903 -1.808 1
1 215 . 11 1 1 A 24 24 CYS HA H 24 4.482 5.246 -0.764 1
1 216 . 11 1 1 A 24 24 CYS CB C 24 30.326 31.955 -1.629 1
1 219 . 11 1 1 A 25 25 SER CA C 25 60.983 61.251 -0.268 1
1 220 . 11 1 1 A 25 25 SER HA H 25 3.348 3.814 -0.466 1
1 221 . 11 1 1 A 25 25 SER CB C 25 62.224 62.318 -0.094 1
1 224 . 11 1 1 A 26 26 LYS H H 26 8.166 8.014 0.152 1
1 225 . 11 1 1 A 26 26 LYS CA C 26 59.574 58.758 0.816 1
1 226 . 11 1 1 A 26 26 LYS HA H 26 3.971 3.979 -0.008 1
1 227 . 11 1 1 A 26 26 LYS CB C 26 31.930 31.885 0.045 1
1 239 . 11 1 1 A 26 26 LYS C C 26 178.526 177.964 0.562 1
1 240 . 11 1 1 A 27 27 TYR N N 27 117.062 119.509 -2.447 1
1 241 . 11 1 1 A 27 27 TYR H H 27 6.995 7.909 -0.914 1
1 242 . 11 1 1 A 27 27 TYR CA C 27 57.700 60.971 -3.271 1
1 243 . 11 1 1 A 27 27 TYR HA H 27 4.498 4.262 0.236 1
1 244 . 11 1 1 A 27 27 TYR CB C 27 36.779 38.261 -1.482 1
1 255 . 11 1 1 A 27 27 TYR C C 27 178.560 178.115 0.445 1
1 256 . 11 1 1 A 28 28 LEU N N 28 122.433 121.637 0.796 1
1 257 . 11 1 1 A 28 28 LEU H H 28 7.156 8.137 -0.981 1
1 258 . 11 1 1 A 28 28 LEU CA C 28 58.234 57.842 0.392 1
1 259 . 11 1 1 A 28 28 LEU HA H 28 3.396 3.377 0.019 1
1 260 . 11 1 1 A 28 28 LEU CB C 28 40.519 41.774 -1.255 1
1 273 . 11 1 1 A 28 28 LEU C C 28 177.446 178.429 -0.983 1
1 274 . 11 1 1 A 29 29 THR N N 29 115.799 114.195 1.604 1
1 275 . 11 1 1 A 29 29 THR H H 29 8.543 8.219 0.324 1
1 276 . 11 1 1 A 29 29 THR CA C 29 66.539 66.309 0.230 1
1 277 . 11 1 1 A 29 29 THR HA H 29 3.972 3.913 0.059 1
1 278 . 11 1 1 A 29 29 THR CB C 29 68.701 68.392 0.309 1
1 284 . 11 1 1 A 29 29 THR C C 29 177.042 176.576 0.466 1
1 285 . 11 1 1 A 30 30 GLN N N 30 118.831 118.215 0.616 1
1 286 . 11 1 1 A 30 30 GLN H H 30 7.568 7.586 -0.018 1
1 287 . 11 1 1 A 30 30 GLN CA C 30 58.801 58.839 -0.038 1
1 288 . 11 1 1 A 30 30 GLN HA H 30 3.971 4.019 -0.048 1
1 289 . 11 1 1 A 30 30 GLN CB C 30 28.596 28.485 0.111 1
1 298 . 11 1 1 A 30 30 GLN C C 30 178.233 178.099 0.134 1
1 299 . 11 1 1 A 31 31 HIS N N 31 119.357 120.093 -0.736 1
1 300 . 11 1 1 A 31 31 HIS H H 31 7.565 8.095 -0.530 1
1 301 . 11 1 1 A 31 31 HIS CA C 31 59.086 59.656 -0.570 1
1 302 . 11 1 1 A 31 31 HIS HA H 31 4.227 4.173 0.054 1
1 303 . 11 1 1 A 31 31 HIS CB C 31 28.676 29.902 -1.226 1
1 310 . 11 1 1 A 31 31 HIS C C 31 176.294 176.455 -0.161 1
1 311 . 11 1 1 A 32 32 GLU N N 32 116.614 117.456 -0.842 1
1 312 . 11 1 1 A 32 32 GLU H H 32 8.508 8.775 -0.267 1
1 313 . 11 1 1 A 32 32 GLU CA C 32 60.064 59.900 0.164 1
1 314 . 11 1 1 A 32 32 GLU HA H 32 3.695 4.051 -0.356 1
1 315 . 11 1 1 A 32 32 GLU CB C 32 29.809 29.378 0.431 1
1 321 . 11 1 1 A 32 32 GLU C C 32 178.085 179.140 -1.055 1
1 322 . 11 1 1 A 33 33 ARG N N 33 116.851 119.937 -3.086 1
1 323 . 11 1 1 A 33 33 ARG H H 33 7.041 7.600 -0.559 1
1 324 . 11 1 1 A 33 33 ARG CA C 33 58.355 59.003 -0.648 1
1 325 . 11 1 1 A 33 33 ARG HA H 33 4.121 4.227 -0.106 1
1 326 . 11 1 1 A 33 33 ARG CB C 33 30.200 29.818 0.382 1
1 335 . 11 1 1 A 33 33 ARG C C 33 178.487 178.835 -0.348 1
1 336 . 11 1 1 A 34 34 ILE N N 34 116.576 118.086 -1.510 1
1 337 . 11 1 1 A 34 34 ILE H H 34 7.947 8.085 -0.138 1
1 338 . 11 1 1 A 34 34 ILE CA C 34 63.154 63.621 -0.467 1
1 339 . 11 1 1 A 34 34 ILE HA H 34 3.952 3.732 0.220 1
1 340 . 11 1 1 A 34 34 ILE CB C 34 37.652 37.203 0.449 1
1 353 . 11 1 1 A 34 34 ILE C C 34 177.459 177.507 -0.048 1
1 354 . 11 1 1 A 35 35 HIS N N 35 117.114 119.584 -2.470 1
1 355 . 11 1 1 A 35 35 HIS H H 35 7.243 7.295 -0.052 1
1 356 . 11 1 1 A 35 35 HIS CA C 35 55.496 58.917 -3.421 1
1 357 . 11 1 1 A 35 35 HIS HA H 35 4.776 4.413 0.363 1
1 358 . 11 1 1 A 35 35 HIS CB C 35 28.583 31.046 -2.463 1
1 365 . 11 1 1 A 35 35 HIS C C 35 175.451 175.614 -0.163 1
1 366 . 11 1 1 A 36 36 THR N N 36 112.873 111.541 1.332 1
1 367 . 11 1 1 A 36 36 THR H H 36 7.691 7.089 0.602 1
1 368 . 11 1 1 A 36 36 THR CA C 36 62.256 62.390 -0.134 1
1 369 . 11 1 1 A 36 36 THR HA H 36 4.377 4.278 0.099 1
1 370 . 11 1 1 A 36 36 THR CB C 36 69.760 69.600 0.160 1
1 376 . 11 1 1 A 36 36 THR C C 36 174.552 174.207 0.345 1
1 377 . 11 1 1 A 37 37 ARG N N 37 122.792 123.054 -0.262 1
1 378 . 11 1 1 A 37 37 ARG H H 37 8.176 8.582 -0.406 1
1 379 . 11 1 1 A 37 37 ARG CA C 37 56.728 55.005 1.723 1
1 380 . 11 1 1 A 37 37 ARG HA H 37 4.369 4.431 -0.062 1
1 381 . 11 1 1 A 37 37 ARG CB C 37 30.703 31.398 -0.695 1
1 390 . 11 1 1 A 37 37 ARG C C 37 176.742 176.518 0.224 1
1 391 . 11 1 1 A 38 38 GLY N N 38 110.024 108.634 1.390 1
1 392 . 11 1 1 A 38 38 GLY H H 38 8.396 8.404 -0.008 1
1 393 . 11 1 1 A 38 38 GLY CA C 38 45.327 44.692 0.635 1
1 394 . 11 1 1 A 38 38 GLY HA2 H 38 3.983 4.073 -0.090 1
1 395 . 11 1 1 A 38 38 GLY HA3 H 38 3.983 4.076 -0.093 1
1 396 . 11 1 1 A 38 38 GLY C C 38 174.010 172.470 1.540 1
1 397 . 11 1 1 A 39 39 VAL N N 39 119.355 121.754 -2.399 1
1 398 . 11 1 1 A 39 39 VAL H H 39 7.972 8.224 -0.252 1
1 399 . 11 1 1 A 39 39 VAL CA C 39 62.275 61.148 1.127 1
1 400 . 11 1 1 A 39 39 VAL HA H 39 4.134 4.287 -0.153 1
1 401 . 11 1 1 A 39 39 VAL CB C 39 32.877 31.295 1.582 1
1 411 . 11 1 1 A 39 39 VAL C C 39 176.275 174.386 1.889 1
1 412 . 11 1 1 A 40 40 LYS N N 40 125.416 128.383 -2.967 1
1 413 . 11 1 1 A 40 40 LYS H H 40 8.482 7.946 0.536 1
1 414 . 11 1 1 A 40 40 LYS CA C 40 56.257 54.207 2.050 1
1 415 . 11 1 1 A 40 40 LYS HA H 40 4.392 4.788 -0.396 1
1 416 . 11 1 1 A 40 40 LYS CB C 40 33.006 36.503 -3.497 1
1 427 . 11 1 1 A 40 40 LYS C C 40 176.346 175.922 0.424 1
1 428 . 11 1 1 A 41 41 SER N N 41 117.710 117.431 0.279 1
1 429 . 11 1 1 A 41 41 SER H H 41 8.326 8.553 -0.227 1
1 430 . 11 1 1 A 41 41 SER CA C 41 58.775 59.446 -0.671 1
1 431 . 11 1 1 A 41 41 SER HA H 41 4.491 4.413 0.078 1
1 432 . 11 1 1 A 41 41 SER CB C 41 63.841 63.276 0.565 1
1 435 . 11 1 1 A 41 41 SER C C 41 173.882 174.616 -0.734 1
1 436 . 11 1 1 A 42 42 GLY N N 42 116.832 111.391 5.441 1
1 437 . 11 1 1 A 42 42 GLY H H 42 8.057 8.719 -0.662 1
1 438 . 11 1 1 A 42 42 GLY CA C 42 44.640 45.757 -1.117 1
1 439 . 11 1 1 A 42 42 GLY HA2 H 42 4.144 4.505 -0.361 1
1 440 . 11 1 1 A 42 42 GLY HA3 H 42 4.144 4.505 -0.361 1
1 441 . 11 1 1 A 42 42 GLY C C 42 178.957 173.723 5.234 1
1 442 . 11 1 1 A 43 43 PRO CA C 43 63.377 64.353 -0.976 1
1 443 . 11 1 1 A 43 43 PRO HA H 43 4.491 4.530 -0.039 1
1 444 . 11 1 1 A 43 43 PRO CB C 43 32.201 31.770 0.431 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.660 44.574 1.086 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.931 4.093 -0.162 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.931 4.095 -0.164 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.138 172.033 2.105 1
1 5 . 12 1 1 A 8 8 GLN N N 8 119.891 120.658 -0.767 1
1 6 . 12 1 1 A 8 8 GLN H H 8 8.206 8.412 -0.206 1
1 7 . 12 1 1 A 8 8 GLN CA C 8 55.820 55.095 0.725 1
1 8 . 12 1 1 A 8 8 GLN HA H 8 4.341 4.529 -0.188 1
1 9 . 12 1 1 A 8 8 GLN CB C 8 29.497 29.140 0.357 1
1 18 . 12 1 1 A 8 8 GLN C C 8 176.071 175.888 0.183 1
1 19 . 12 1 1 A 9 9 LYS N N 9 122.781 128.221 -5.440 1
1 20 . 12 1 1 A 9 9 LYS H H 9 8.408 8.803 -0.395 1
1 21 . 12 1 1 A 9 9 LYS CA C 9 56.490 57.699 -1.209 1
1 22 . 12 1 1 A 9 9 LYS HA H 9 4.292 4.377 -0.085 1
1 23 . 12 1 1 A 9 9 LYS CB C 9 33.055 33.741 -0.686 1
1 35 . 12 1 1 A 9 9 LYS C C 9 176.568 177.000 -0.432 1
1 36 . 12 1 1 A 10 10 GLU N N 10 121.884 118.668 3.216 1
1 37 . 12 1 1 A 10 10 GLU H H 10 8.435 7.816 0.619 1
1 38 . 12 1 1 A 10 10 GLU CA C 10 56.644 56.729 -0.085 1
1 39 . 12 1 1 A 10 10 GLU HA H 10 4.239 4.434 -0.195 1
1 40 . 12 1 1 A 10 10 GLU CB C 10 30.349 30.341 0.008 1
1 46 . 12 1 1 A 10 10 GLU C C 10 176.223 175.675 0.548 1
1 47 . 12 1 1 A 11 11 LYS N N 11 122.536 123.064 -0.528 1
1 48 . 12 1 1 A 11 11 LYS H H 11 8.406 8.546 -0.140 1
1 49 . 12 1 1 A 11 11 LYS CA C 11 56.095 54.988 1.107 1
1 50 . 12 1 1 A 11 11 LYS HA H 11 4.235 4.819 -0.584 1
1 51 . 12 1 1 A 11 11 LYS CB C 11 32.883 34.137 -1.254 1
1 63 . 12 1 1 A 11 11 LYS C C 11 175.448 175.379 0.069 1
1 64 . 12 1 1 A 12 12 CYS N N 12 119.041 124.567 -5.526 1
1 65 . 12 1 1 A 12 12 CYS H H 12 7.970 8.773 -0.803 1
1 66 . 12 1 1 A 12 12 CYS CA C 12 57.850 57.802 0.048 1
1 67 . 12 1 1 A 12 12 CYS HA H 12 4.523 5.346 -0.823 1
1 68 . 12 1 1 A 12 12 CYS CB C 12 28.790 30.681 -1.891 1
1 71 . 12 1 1 A 12 12 CYS C C 12 173.137 172.999 0.138 1
1 72 . 12 1 1 A 13 13 PHE N N 13 123.659 123.365 0.294 1
1 73 . 12 1 1 A 13 13 PHE H H 13 8.796 9.397 -0.601 1
1 74 . 12 1 1 A 13 13 PHE CA C 13 57.405 56.655 0.750 1
1 75 . 12 1 1 A 13 13 PHE HA H 13 4.636 5.226 -0.590 1
1 76 . 12 1 1 A 13 13 PHE CB C 13 39.505 40.600 -1.095 1
1 89 . 12 1 1 A 13 13 PHE C C 13 174.193 174.469 -0.276 1
1 90 . 12 1 1 A 14 14 LYS N N 14 125.302 125.145 0.157 1
1 91 . 12 1 1 A 14 14 LYS H H 14 8.659 9.066 -0.407 1
1 92 . 12 1 1 A 14 14 LYS CA C 14 55.196 54.512 0.684 1
1 93 . 12 1 1 A 14 14 LYS HA H 14 4.831 5.139 -0.308 1
1 94 . 12 1 1 A 14 14 LYS CB C 14 35.042 35.681 -0.639 1
1 105 . 12 1 1 A 14 14 LYS C C 14 175.026 175.858 -0.832 1
1 106 . 12 1 1 A 15 15 CYS N N 15 127.929 125.046 2.883 1
1 107 . 12 1 1 A 15 15 CYS H H 15 8.710 8.782 -0.072 1
1 108 . 12 1 1 A 15 15 CYS CA C 15 60.083 58.812 1.271 1
1 109 . 12 1 1 A 15 15 CYS HA H 15 4.578 4.723 -0.145 1
1 110 . 12 1 1 A 15 15 CYS CB C 15 29.646 29.024 0.622 1
1 113 . 12 1 1 A 15 15 CYS C C 15 175.715 174.719 0.996 1
1 114 . 12 1 1 A 16 16 ASN N N 16 126.460 122.616 3.844 1
1 115 . 12 1 1 A 16 16 ASN H H 16 9.033 8.892 0.141 1
1 116 . 12 1 1 A 16 16 ASN CA C 16 54.820 54.825 -0.005 1
1 117 . 12 1 1 A 16 16 ASN HA H 16 4.728 4.866 -0.138 1
1 118 . 12 1 1 A 16 16 ASN CB C 16 38.681 39.444 -0.763 1
1 124 . 12 1 1 A 16 16 ASN C C 16 176.123 177.187 -1.064 1
1 125 . 12 1 1 A 17 17 LYS N N 17 121.823 118.299 3.524 1
1 126 . 12 1 1 A 17 17 LYS H H 17 9.444 8.065 1.379 1
1 127 . 12 1 1 A 17 17 LYS CA C 17 56.577 59.155 -2.578 1
1 128 . 12 1 1 A 17 17 LYS HA H 17 4.368 3.830 0.538 1
1 129 . 12 1 1 A 17 17 LYS CB C 17 33.308 31.707 1.601 1
1 141 . 12 1 1 A 17 17 LYS C C 17 176.102 179.066 -2.964 1
1 142 . 12 1 1 A 18 18 CYS N N 18 118.544 117.073 1.471 1
1 143 . 12 1 1 A 18 18 CYS H H 18 7.918 7.706 0.212 1
1 144 . 12 1 1 A 18 18 CYS CA C 18 58.610 60.701 -2.091 1
1 145 . 12 1 1 A 18 18 CYS HA H 18 5.016 4.372 0.644 1
1 146 . 12 1 1 A 18 18 CYS CB C 18 30.648 28.634 2.014 1
1 149 . 12 1 1 A 18 18 CYS C C 18 173.625 175.199 -1.574 1
1 150 . 12 1 1 A 19 19 GLU N N 19 115.419 116.191 -0.772 1
1 151 . 12 1 1 A 19 19 GLU H H 19 8.498 8.045 0.453 1
1 152 . 12 1 1 A 19 19 GLU CA C 19 57.672 57.590 0.082 1
1 153 . 12 1 1 A 19 19 GLU HA H 19 4.229 4.317 -0.088 1
1 154 . 12 1 1 A 19 19 GLU CB C 19 28.577 27.202 1.375 1
1 160 . 12 1 1 A 19 19 GLU C C 19 176.219 174.926 1.293 1
1 161 . 12 1 1 A 20 20 LYS N N 20 122.785 118.278 4.507 1
1 162 . 12 1 1 A 20 20 LYS H H 20 8.283 7.230 1.053 1
1 163 . 12 1 1 A 20 20 LYS CA C 20 58.127 54.216 3.911 1
1 164 . 12 1 1 A 20 20 LYS HA H 20 4.033 4.784 -0.751 1
1 165 . 12 1 1 A 20 20 LYS CB C 20 33.528 34.357 -0.829 1
1 177 . 12 1 1 A 20 20 LYS C C 20 174.855 176.320 -1.465 1
1 178 . 12 1 1 A 21 21 THR N N 21 110.456 114.994 -4.538 1
1 179 . 12 1 1 A 21 21 THR H H 21 7.497 8.449 -0.952 1
1 180 . 12 1 1 A 21 21 THR CA C 21 59.617 61.653 -2.036 1
1 181 . 12 1 1 A 21 21 THR HA H 21 5.051 4.548 0.503 1
1 182 . 12 1 1 A 21 21 THR CB C 21 71.680 69.712 1.968 1
1 188 . 12 1 1 A 21 21 THR C C 21 173.142 174.041 -0.899 1
1 189 . 12 1 1 A 22 22 PHE N N 22 117.251 120.446 -3.195 1
1 190 . 12 1 1 A 22 22 PHE H H 22 8.746 8.608 0.138 1
1 191 . 12 1 1 A 22 22 PHE CA C 22 57.180 56.564 0.616 1
1 192 . 12 1 1 A 22 22 PHE HA H 22 4.963 4.945 0.018 1
1 193 . 12 1 1 A 22 22 PHE CB C 22 44.791 43.219 1.572 1
1 206 . 12 1 1 A 22 22 PHE C C 22 176.046 175.972 0.074 1
1 207 . 12 1 1 A 23 23 SER CA C 23 59.336 60.989 -1.653 1
1 208 . 12 1 1 A 23 23 SER HA H 23 4.754 4.433 0.321 1
1 209 . 12 1 1 A 23 23 SER CB C 23 64.271 63.216 1.055 1
1 212 . 12 1 1 A 24 24 CYS N N 24 113.033 117.887 -4.854 1
1 213 . 12 1 1 A 24 24 CYS H H 24 7.330 7.902 -0.572 1
1 214 . 12 1 1 A 24 24 CYS CA C 24 56.095 56.572 -0.477 1
1 215 . 12 1 1 A 24 24 CYS HA H 24 4.482 4.788 -0.306 1
1 216 . 12 1 1 A 24 24 CYS CB C 24 30.326 30.188 0.138 1
1 219 . 12 1 1 A 25 25 SER CA C 25 60.983 60.648 0.335 1
1 220 . 12 1 1 A 25 25 SER HA H 25 3.348 3.286 0.062 1
1 221 . 12 1 1 A 25 25 SER CB C 25 62.224 62.318 -0.094 1
1 224 . 12 1 1 A 26 26 LYS H H 26 8.166 8.012 0.154 1
1 225 . 12 1 1 A 26 26 LYS CA C 26 59.574 59.464 0.110 1
1 226 . 12 1 1 A 26 26 LYS HA H 26 3.971 3.910 0.061 1
1 227 . 12 1 1 A 26 26 LYS CB C 26 31.930 32.335 -0.405 1
1 239 . 12 1 1 A 26 26 LYS C C 26 178.526 178.377 0.149 1
1 240 . 12 1 1 A 27 27 TYR N N 27 117.062 118.543 -1.481 1
1 241 . 12 1 1 A 27 27 TYR H H 27 6.995 8.118 -1.123 1
1 242 . 12 1 1 A 27 27 TYR CA C 27 57.700 60.208 -2.508 1
1 243 . 12 1 1 A 27 27 TYR HA H 27 4.498 4.213 0.285 1
1 244 . 12 1 1 A 27 27 TYR CB C 27 36.779 37.756 -0.977 1
1 255 . 12 1 1 A 27 27 TYR C C 27 178.560 178.166 0.394 1
1 256 . 12 1 1 A 28 28 LEU N N 28 122.433 120.985 1.448 1
1 257 . 12 1 1 A 28 28 LEU H H 28 7.156 7.786 -0.630 1
1 258 . 12 1 1 A 28 28 LEU CA C 28 58.234 57.587 0.647 1
1 259 . 12 1 1 A 28 28 LEU HA H 28 3.396 3.457 -0.061 1
1 260 . 12 1 1 A 28 28 LEU CB C 28 40.519 41.627 -1.108 1
1 273 . 12 1 1 A 28 28 LEU C C 28 177.446 178.505 -1.059 1
1 274 . 12 1 1 A 29 29 THR N N 29 115.799 114.721 1.078 1
1 275 . 12 1 1 A 29 29 THR H H 29 8.543 8.453 0.090 1
1 276 . 12 1 1 A 29 29 THR CA C 29 66.539 66.245 0.294 1
1 277 . 12 1 1 A 29 29 THR HA H 29 3.972 3.797 0.175 1
1 278 . 12 1 1 A 29 29 THR CB C 29 68.701 68.362 0.339 1
1 284 . 12 1 1 A 29 29 THR C C 29 177.042 176.758 0.284 1
1 285 . 12 1 1 A 30 30 GLN N N 30 118.831 119.101 -0.270 1
1 286 . 12 1 1 A 30 30 GLN H H 30 7.568 8.197 -0.629 1
1 287 . 12 1 1 A 30 30 GLN CA C 30 58.801 58.931 -0.130 1
1 288 . 12 1 1 A 30 30 GLN HA H 30 3.971 3.939 0.032 1
1 289 . 12 1 1 A 30 30 GLN CB C 30 28.596 28.188 0.408 1
1 298 . 12 1 1 A 30 30 GLN C C 30 178.233 178.236 -0.003 1
1 299 . 12 1 1 A 31 31 HIS N N 31 119.357 120.548 -1.191 1
1 300 . 12 1 1 A 31 31 HIS H H 31 7.565 8.010 -0.445 1
1 301 . 12 1 1 A 31 31 HIS CA C 31 59.086 59.525 -0.439 1
1 302 . 12 1 1 A 31 31 HIS HA H 31 4.227 4.164 0.063 1
1 303 . 12 1 1 A 31 31 HIS CB C 31 28.676 29.773 -1.097 1
1 310 . 12 1 1 A 31 31 HIS C C 31 176.294 176.434 -0.140 1
1 311 . 12 1 1 A 32 32 GLU N N 32 116.614 117.524 -0.910 1
1 312 . 12 1 1 A 32 32 GLU H H 32 8.508 8.737 -0.229 1
1 313 . 12 1 1 A 32 32 GLU CA C 32 60.064 60.026 0.038 1
1 314 . 12 1 1 A 32 32 GLU HA H 32 3.695 4.088 -0.393 1
1 315 . 12 1 1 A 32 32 GLU CB C 32 29.809 29.454 0.355 1
1 321 . 12 1 1 A 32 32 GLU C C 32 178.085 179.009 -0.924 1
1 322 . 12 1 1 A 33 33 ARG N N 33 116.851 119.460 -2.609 1
1 323 . 12 1 1 A 33 33 ARG H H 33 7.041 8.045 -1.004 1
1 324 . 12 1 1 A 33 33 ARG CA C 33 58.355 58.915 -0.560 1
1 325 . 12 1 1 A 33 33 ARG HA H 33 4.121 3.942 0.179 1
1 326 . 12 1 1 A 33 33 ARG CB C 33 30.200 29.803 0.397 1
1 335 . 12 1 1 A 33 33 ARG C C 33 178.487 178.887 -0.400 1
1 336 . 12 1 1 A 34 34 ILE N N 34 116.576 117.718 -1.142 1
1 337 . 12 1 1 A 34 34 ILE H H 34 7.947 8.224 -0.277 1
1 338 . 12 1 1 A 34 34 ILE CA C 34 63.154 63.582 -0.428 1
1 339 . 12 1 1 A 34 34 ILE HA H 34 3.952 3.791 0.161 1
1 340 . 12 1 1 A 34 34 ILE CB C 34 37.652 37.185 0.467 1
1 353 . 12 1 1 A 34 34 ILE C C 34 177.459 176.338 1.121 1
1 354 . 12 1 1 A 35 35 HIS N N 35 117.114 120.248 -3.134 1
1 355 . 12 1 1 A 35 35 HIS H H 35 7.243 7.711 -0.468 1
1 356 . 12 1 1 A 35 35 HIS CA C 35 55.496 54.695 0.801 1
1 357 . 12 1 1 A 35 35 HIS HA H 35 4.776 4.679 0.097 1
1 358 . 12 1 1 A 35 35 HIS CB C 35 28.583 28.297 0.286 1
1 365 . 12 1 1 A 35 35 HIS C C 35 175.451 173.884 1.567 1
1 366 . 12 1 1 A 36 36 THR N N 36 112.873 112.400 0.473 1
1 367 . 12 1 1 A 36 36 THR H H 36 7.691 8.216 -0.525 1
1 368 . 12 1 1 A 36 36 THR CA C 36 62.256 60.477 1.779 1
1 369 . 12 1 1 A 36 36 THR HA H 36 4.377 5.056 -0.679 1
1 370 . 12 1 1 A 36 36 THR CB C 36 69.760 71.611 -1.851 1
1 376 . 12 1 1 A 36 36 THR C C 36 174.552 172.153 2.399 1
1 377 . 12 1 1 A 37 37 ARG N N 37 122.792 125.462 -2.670 1
1 378 . 12 1 1 A 37 37 ARG H H 37 8.176 8.902 -0.726 1
1 379 . 12 1 1 A 37 37 ARG CA C 37 56.728 54.691 2.037 1
1 380 . 12 1 1 A 37 37 ARG HA H 37 4.369 5.221 -0.852 1
1 381 . 12 1 1 A 37 37 ARG CB C 37 30.703 33.206 -2.503 1
1 390 . 12 1 1 A 37 37 ARG C C 37 176.742 174.983 1.759 1
1 391 . 12 1 1 A 38 38 GLY N N 38 110.024 112.358 -2.334 1
1 392 . 12 1 1 A 38 38 GLY H H 38 8.396 8.159 0.237 1
1 393 . 12 1 1 A 38 38 GLY CA C 38 45.327 44.335 0.992 1
1 394 . 12 1 1 A 38 38 GLY HA2 H 38 3.983 4.094 -0.111 1
1 395 . 12 1 1 A 38 38 GLY HA3 H 38 3.983 4.094 -0.111 1
1 396 . 12 1 1 A 38 38 GLY C C 38 174.010 173.571 0.439 1
1 397 . 12 1 1 A 39 39 VAL N N 39 119.355 118.190 1.165 1
1 398 . 12 1 1 A 39 39 VAL H H 39 7.972 8.130 -0.158 1
1 399 . 12 1 1 A 39 39 VAL CA C 39 62.275 62.170 0.105 1
1 400 . 12 1 1 A 39 39 VAL HA H 39 4.134 4.202 -0.068 1
1 401 . 12 1 1 A 39 39 VAL CB C 39 32.877 32.850 0.027 1
1 411 . 12 1 1 A 39 39 VAL C C 39 176.275 176.040 0.235 1
1 412 . 12 1 1 A 40 40 LYS N N 40 125.416 124.244 1.172 1
1 413 . 12 1 1 A 40 40 LYS H H 40 8.482 8.779 -0.297 1
1 414 . 12 1 1 A 40 40 LYS CA C 40 56.257 57.502 -1.245 1
1 415 . 12 1 1 A 40 40 LYS HA H 40 4.392 4.384 0.008 1
1 416 . 12 1 1 A 40 40 LYS CB C 40 33.006 33.415 -0.409 1
1 427 . 12 1 1 A 40 40 LYS C C 40 176.346 176.822 -0.476 1
1 428 . 12 1 1 A 41 41 SER N N 41 117.710 113.794 3.916 1
1 429 . 12 1 1 A 41 41 SER H H 41 8.326 7.814 0.512 1
1 430 . 12 1 1 A 41 41 SER CA C 41 58.775 56.679 2.096 1
1 431 . 12 1 1 A 41 41 SER HA H 41 4.491 4.737 -0.246 1
1 432 . 12 1 1 A 41 41 SER CB C 41 63.841 64.281 -0.440 1
1 435 . 12 1 1 A 41 41 SER C C 41 173.882 174.154 -0.272 1
1 436 . 12 1 1 A 42 42 GLY N N 42 116.832 114.756 2.076 1
1 437 . 12 1 1 A 42 42 GLY H H 42 8.057 8.936 -0.879 1
1 438 . 12 1 1 A 42 42 GLY CA C 42 44.640 44.234 0.406 1
1 439 . 12 1 1 A 42 42 GLY HA2 H 42 4.144 4.070 0.074 1
1 440 . 12 1 1 A 42 42 GLY HA3 H 42 4.144 4.071 0.073 1
1 441 . 12 1 1 A 42 42 GLY C C 42 178.957 172.861 6.096 1
1 442 . 12 1 1 A 43 43 PRO CA C 43 63.377 62.853 0.524 1
1 443 . 12 1 1 A 43 43 PRO HA H 43 4.491 4.562 -0.071 1
1 444 . 12 1 1 A 43 43 PRO CB C 43 32.201 32.268 -0.067 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.660 44.402 1.258 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.931 4.066 -0.135 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.931 4.067 -0.136 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.138 173.340 0.798 1
1 5 . 13 1 1 A 8 8 GLN N N 8 119.891 121.240 -1.349 1
1 6 . 13 1 1 A 8 8 GLN H H 8 8.206 8.313 -0.107 1
1 7 . 13 1 1 A 8 8 GLN CA C 8 55.820 54.373 1.447 1
1 8 . 13 1 1 A 8 8 GLN HA H 8 4.341 4.915 -0.574 1
1 9 . 13 1 1 A 8 8 GLN CB C 8 29.497 32.099 -2.602 1
1 18 . 13 1 1 A 8 8 GLN C C 8 176.071 174.921 1.150 1
1 19 . 13 1 1 A 9 9 LYS N N 9 122.781 118.698 4.083 1
1 20 . 13 1 1 A 9 9 LYS H H 9 8.408 8.924 -0.516 1
1 21 . 13 1 1 A 9 9 LYS CA C 9 56.490 54.789 1.701 1
1 22 . 13 1 1 A 9 9 LYS HA H 9 4.292 5.043 -0.751 1
1 23 . 13 1 1 A 9 9 LYS CB C 9 33.055 36.099 -3.044 1
1 35 . 13 1 1 A 9 9 LYS C C 9 176.568 174.542 2.026 1
1 36 . 13 1 1 A 10 10 GLU N N 10 121.884 123.052 -1.168 1
1 37 . 13 1 1 A 10 10 GLU H H 10 8.435 8.718 -0.283 1
1 38 . 13 1 1 A 10 10 GLU CA C 10 56.644 55.293 1.351 1
1 39 . 13 1 1 A 10 10 GLU HA H 10 4.239 4.711 -0.472 1
1 40 . 13 1 1 A 10 10 GLU CB C 10 30.349 31.603 -1.254 1
1 46 . 13 1 1 A 10 10 GLU C C 10 176.223 175.130 1.093 1
1 47 . 13 1 1 A 11 11 LYS N N 11 122.536 123.023 -0.487 1
1 48 . 13 1 1 A 11 11 LYS H H 11 8.406 8.667 -0.261 1
1 49 . 13 1 1 A 11 11 LYS CA C 11 56.095 55.649 0.446 1
1 50 . 13 1 1 A 11 11 LYS HA H 11 4.235 4.699 -0.464 1
1 51 . 13 1 1 A 11 11 LYS CB C 11 32.883 33.489 -0.606 1
1 63 . 13 1 1 A 11 11 LYS C C 11 175.448 175.259 0.189 1
1 64 . 13 1 1 A 12 12 CYS N N 12 119.041 123.627 -4.586 1
1 65 . 13 1 1 A 12 12 CYS H H 12 7.970 8.217 -0.247 1
1 66 . 13 1 1 A 12 12 CYS CA C 12 57.850 57.829 0.021 1
1 67 . 13 1 1 A 12 12 CYS HA H 12 4.523 4.870 -0.347 1
1 68 . 13 1 1 A 12 12 CYS CB C 12 28.790 33.159 -4.369 1
1 71 . 13 1 1 A 12 12 CYS C C 12 173.137 172.733 0.404 1
1 72 . 13 1 1 A 13 13 PHE N N 13 123.659 118.998 4.661 1
1 73 . 13 1 1 A 13 13 PHE H H 13 8.796 8.871 -0.075 1
1 74 . 13 1 1 A 13 13 PHE CA C 13 57.405 56.262 1.143 1
1 75 . 13 1 1 A 13 13 PHE HA H 13 4.636 4.990 -0.354 1
1 76 . 13 1 1 A 13 13 PHE CB C 13 39.505 43.657 -4.152 1
1 89 . 13 1 1 A 13 13 PHE C C 13 174.193 174.196 -0.003 1
1 90 . 13 1 1 A 14 14 LYS N N 14 125.302 122.584 2.718 1
1 91 . 13 1 1 A 14 14 LYS H H 14 8.659 9.030 -0.371 1
1 92 . 13 1 1 A 14 14 LYS CA C 14 55.196 54.426 0.770 1
1 93 . 13 1 1 A 14 14 LYS HA H 14 4.831 5.365 -0.534 1
1 94 . 13 1 1 A 14 14 LYS CB C 14 35.042 36.060 -1.018 1
1 105 . 13 1 1 A 14 14 LYS C C 14 175.026 175.059 -0.033 1
1 106 . 13 1 1 A 15 15 CYS N N 15 127.929 124.807 3.122 1
1 107 . 13 1 1 A 15 15 CYS H H 15 8.710 9.316 -0.606 1
1 108 . 13 1 1 A 15 15 CYS CA C 15 60.083 59.078 1.005 1
1 109 . 13 1 1 A 15 15 CYS HA H 15 4.578 4.642 -0.064 1
1 110 . 13 1 1 A 15 15 CYS CB C 15 29.646 28.837 0.809 1
1 113 . 13 1 1 A 15 15 CYS C C 15 175.715 174.712 1.003 1
1 114 . 13 1 1 A 16 16 ASN N N 16 126.460 122.151 4.309 1
1 115 . 13 1 1 A 16 16 ASN H H 16 9.033 8.882 0.151 1
1 116 . 13 1 1 A 16 16 ASN CA C 16 54.820 54.384 0.436 1
1 117 . 13 1 1 A 16 16 ASN HA H 16 4.728 5.124 -0.396 1
1 118 . 13 1 1 A 16 16 ASN CB C 16 38.681 39.601 -0.920 1
1 124 . 13 1 1 A 16 16 ASN C C 16 176.123 177.230 -1.107 1
1 125 . 13 1 1 A 17 17 LYS N N 17 121.823 118.670 3.153 1
1 126 . 13 1 1 A 17 17 LYS H H 17 9.444 7.903 1.541 1
1 127 . 13 1 1 A 17 17 LYS CA C 17 56.577 59.111 -2.534 1
1 128 . 13 1 1 A 17 17 LYS HA H 17 4.368 3.943 0.425 1
1 129 . 13 1 1 A 17 17 LYS CB C 17 33.308 31.770 1.538 1
1 141 . 13 1 1 A 17 17 LYS C C 17 176.102 179.012 -2.910 1
1 142 . 13 1 1 A 18 18 CYS N N 18 118.544 117.918 0.626 1
1 143 . 13 1 1 A 18 18 CYS H H 18 7.918 7.541 0.377 1
1 144 . 13 1 1 A 18 18 CYS CA C 18 58.610 60.575 -1.965 1
1 145 . 13 1 1 A 18 18 CYS HA H 18 5.016 4.308 0.708 1
1 146 . 13 1 1 A 18 18 CYS CB C 18 30.648 28.596 2.052 1
1 149 . 13 1 1 A 18 18 CYS C C 18 173.625 174.975 -1.350 1
1 150 . 13 1 1 A 19 19 GLU N N 19 115.419 116.589 -1.170 1
1 151 . 13 1 1 A 19 19 GLU H H 19 8.498 8.005 0.493 1
1 152 . 13 1 1 A 19 19 GLU CA C 19 57.672 57.653 0.019 1
1 153 . 13 1 1 A 19 19 GLU HA H 19 4.229 4.084 0.145 1
1 154 . 13 1 1 A 19 19 GLU CB C 19 28.577 27.284 1.293 1
1 160 . 13 1 1 A 19 19 GLU C C 19 176.219 174.971 1.248 1
1 161 . 13 1 1 A 20 20 LYS N N 20 122.785 118.257 4.528 1
1 162 . 13 1 1 A 20 20 LYS H H 20 8.283 7.885 0.398 1
1 163 . 13 1 1 A 20 20 LYS CA C 20 58.127 54.925 3.202 1
1 164 . 13 1 1 A 20 20 LYS HA H 20 4.033 4.799 -0.766 1
1 165 . 13 1 1 A 20 20 LYS CB C 20 33.528 34.374 -0.846 1
1 177 . 13 1 1 A 20 20 LYS C C 20 174.855 176.671 -1.816 1
1 178 . 13 1 1 A 21 21 THR N N 21 110.456 113.485 -3.029 1
1 179 . 13 1 1 A 21 21 THR H H 21 7.497 8.408 -0.911 1
1 180 . 13 1 1 A 21 21 THR CA C 21 59.617 61.170 -1.553 1
1 181 . 13 1 1 A 21 21 THR HA H 21 5.051 5.341 -0.290 1
1 182 . 13 1 1 A 21 21 THR CB C 21 71.680 70.322 1.358 1
1 188 . 13 1 1 A 21 21 THR C C 21 173.142 173.984 -0.842 1
1 189 . 13 1 1 A 22 22 PHE N N 22 117.251 120.119 -2.868 1
1 190 . 13 1 1 A 22 22 PHE H H 22 8.746 9.013 -0.267 1
1 191 . 13 1 1 A 22 22 PHE CA C 22 57.180 56.367 0.813 1
1 192 . 13 1 1 A 22 22 PHE HA H 22 4.963 4.908 0.055 1
1 193 . 13 1 1 A 22 22 PHE CB C 22 44.791 42.967 1.824 1
1 206 . 13 1 1 A 22 22 PHE C C 22 176.046 175.870 0.176 1
1 207 . 13 1 1 A 23 23 SER CA C 23 59.336 60.389 -1.053 1
1 208 . 13 1 1 A 23 23 SER HA H 23 4.754 4.563 0.191 1
1 209 . 13 1 1 A 23 23 SER CB C 23 64.271 63.911 0.360 1
1 212 . 13 1 1 A 24 24 CYS N N 24 113.033 119.593 -6.560 1
1 213 . 13 1 1 A 24 24 CYS H H 24 7.330 7.629 -0.299 1
1 214 . 13 1 1 A 24 24 CYS CA C 24 56.095 57.861 -1.766 1
1 215 . 13 1 1 A 24 24 CYS HA H 24 4.482 4.760 -0.278 1
1 216 . 13 1 1 A 24 24 CYS CB C 24 30.326 29.913 0.413 1
1 219 . 13 1 1 A 25 25 SER CA C 25 60.983 61.111 -0.128 1
1 220 . 13 1 1 A 25 25 SER HA H 25 3.348 3.785 -0.437 1
1 221 . 13 1 1 A 25 25 SER CB C 25 62.224 62.876 -0.652 1
1 224 . 13 1 1 A 26 26 LYS H H 26 8.166 8.083 0.083 1
1 225 . 13 1 1 A 26 26 LYS CA C 26 59.574 58.616 0.958 1
1 226 . 13 1 1 A 26 26 LYS HA H 26 3.971 4.081 -0.110 1
1 227 . 13 1 1 A 26 26 LYS CB C 26 31.930 31.568 0.362 1
1 239 . 13 1 1 A 26 26 LYS C C 26 178.526 178.022 0.504 1
1 240 . 13 1 1 A 27 27 TYR N N 27 117.062 119.186 -2.124 1
1 241 . 13 1 1 A 27 27 TYR H H 27 6.995 8.068 -1.073 1
1 242 . 13 1 1 A 27 27 TYR CA C 27 57.700 61.088 -3.388 1
1 243 . 13 1 1 A 27 27 TYR HA H 27 4.498 4.339 0.159 1
1 244 . 13 1 1 A 27 27 TYR CB C 27 36.779 38.397 -1.618 1
1 255 . 13 1 1 A 27 27 TYR C C 27 178.560 178.238 0.322 1
1 256 . 13 1 1 A 28 28 LEU N N 28 122.433 121.272 1.161 1
1 257 . 13 1 1 A 28 28 LEU H H 28 7.156 7.917 -0.761 1
1 258 . 13 1 1 A 28 28 LEU CA C 28 58.234 57.636 0.598 1
1 259 . 13 1 1 A 28 28 LEU HA H 28 3.396 3.124 0.272 1
1 260 . 13 1 1 A 28 28 LEU CB C 28 40.519 41.392 -0.873 1
1 273 . 13 1 1 A 28 28 LEU C C 28 177.446 178.313 -0.867 1
1 274 . 13 1 1 A 29 29 THR N N 29 115.799 113.832 1.967 1
1 275 . 13 1 1 A 29 29 THR H H 29 8.543 7.629 0.914 1
1 276 . 13 1 1 A 29 29 THR CA C 29 66.539 66.363 0.176 1
1 277 . 13 1 1 A 29 29 THR HA H 29 3.972 3.715 0.257 1
1 278 . 13 1 1 A 29 29 THR CB C 29 68.701 68.390 0.311 1
1 284 . 13 1 1 A 29 29 THR C C 29 177.042 176.406 0.636 1
1 285 . 13 1 1 A 30 30 GLN N N 30 118.831 118.283 0.548 1
1 286 . 13 1 1 A 30 30 GLN H H 30 7.568 7.719 -0.151 1
1 287 . 13 1 1 A 30 30 GLN CA C 30 58.801 58.951 -0.150 1
1 288 . 13 1 1 A 30 30 GLN HA H 30 3.971 3.908 0.063 1
1 289 . 13 1 1 A 30 30 GLN CB C 30 28.596 28.201 0.395 1
1 298 . 13 1 1 A 30 30 GLN C C 30 178.233 178.337 -0.104 1
1 299 . 13 1 1 A 31 31 HIS N N 31 119.357 119.973 -0.616 1
1 300 . 13 1 1 A 31 31 HIS H H 31 7.565 7.931 -0.366 1
1 301 . 13 1 1 A 31 31 HIS CA C 31 59.086 59.595 -0.509 1
1 302 . 13 1 1 A 31 31 HIS HA H 31 4.227 4.246 -0.019 1
1 303 . 13 1 1 A 31 31 HIS CB C 31 28.676 29.941 -1.265 1
1 310 . 13 1 1 A 31 31 HIS C C 31 176.294 176.577 -0.283 1
1 311 . 13 1 1 A 32 32 GLU N N 32 116.614 117.329 -0.715 1
1 312 . 13 1 1 A 32 32 GLU H H 32 8.508 8.783 -0.275 1
1 313 . 13 1 1 A 32 32 GLU CA C 32 60.064 59.976 0.088 1
1 314 . 13 1 1 A 32 32 GLU HA H 32 3.695 4.029 -0.334 1
1 315 . 13 1 1 A 32 32 GLU CB C 32 29.809 29.417 0.392 1
1 321 . 13 1 1 A 32 32 GLU C C 32 178.085 178.981 -0.896 1
1 322 . 13 1 1 A 33 33 ARG N N 33 116.851 119.446 -2.595 1
1 323 . 13 1 1 A 33 33 ARG H H 33 7.041 8.032 -0.991 1
1 324 . 13 1 1 A 33 33 ARG CA C 33 58.355 58.908 -0.553 1
1 325 . 13 1 1 A 33 33 ARG HA H 33 4.121 3.933 0.188 1
1 326 . 13 1 1 A 33 33 ARG CB C 33 30.200 29.844 0.356 1
1 335 . 13 1 1 A 33 33 ARG C C 33 178.487 178.797 -0.310 1
1 336 . 13 1 1 A 34 34 ILE N N 34 116.576 117.483 -0.907 1
1 337 . 13 1 1 A 34 34 ILE H H 34 7.947 8.169 -0.222 1
1 338 . 13 1 1 A 34 34 ILE CA C 34 63.154 63.734 -0.580 1
1 339 . 13 1 1 A 34 34 ILE HA H 34 3.952 3.796 0.156 1
1 340 . 13 1 1 A 34 34 ILE CB C 34 37.652 37.209 0.443 1
1 353 . 13 1 1 A 34 34 ILE C C 34 177.459 176.402 1.057 1
1 354 . 13 1 1 A 35 35 HIS N N 35 117.114 119.892 -2.778 1
1 355 . 13 1 1 A 35 35 HIS H H 35 7.243 7.710 -0.467 1
1 356 . 13 1 1 A 35 35 HIS CA C 35 55.496 54.739 0.757 1
1 357 . 13 1 1 A 35 35 HIS HA H 35 4.776 4.645 0.131 1
1 358 . 13 1 1 A 35 35 HIS CB C 35 28.583 27.808 0.775 1
1 365 . 13 1 1 A 35 35 HIS C C 35 175.451 173.889 1.562 1
1 366 . 13 1 1 A 36 36 THR N N 36 112.873 113.236 -0.363 1
1 367 . 13 1 1 A 36 36 THR H H 36 7.691 8.030 -0.339 1
1 368 . 13 1 1 A 36 36 THR CA C 36 62.256 60.276 1.980 1
1 369 . 13 1 1 A 36 36 THR HA H 36 4.377 5.108 -0.731 1
1 370 . 13 1 1 A 36 36 THR CB C 36 69.760 69.910 -0.150 1
1 376 . 13 1 1 A 36 36 THR C C 36 174.552 172.698 1.854 1
1 377 . 13 1 1 A 37 37 ARG N N 37 122.792 128.430 -5.638 1
1 378 . 13 1 1 A 37 37 ARG H H 37 8.176 9.062 -0.886 1
1 379 . 13 1 1 A 37 37 ARG CA C 37 56.728 54.948 1.780 1
1 380 . 13 1 1 A 37 37 ARG HA H 37 4.369 5.077 -0.708 1
1 381 . 13 1 1 A 37 37 ARG CB C 37 30.703 32.245 -1.542 1
1 390 . 13 1 1 A 37 37 ARG C C 37 176.742 175.181 1.561 1
1 391 . 13 1 1 A 38 38 GLY N N 38 110.024 112.322 -2.298 1
1 392 . 13 1 1 A 38 38 GLY H H 38 8.396 8.421 -0.025 1
1 393 . 13 1 1 A 38 38 GLY CA C 38 45.327 45.610 -0.283 1
1 394 . 13 1 1 A 38 38 GLY HA2 H 38 3.983 4.194 -0.211 1
1 395 . 13 1 1 A 38 38 GLY HA3 H 38 3.983 4.195 -0.212 1
1 396 . 13 1 1 A 38 38 GLY C C 38 174.010 172.679 1.331 1
1 397 . 13 1 1 A 39 39 VAL N N 39 119.355 121.555 -2.200 1
1 398 . 13 1 1 A 39 39 VAL H H 39 7.972 8.651 -0.679 1
1 399 . 13 1 1 A 39 39 VAL CA C 39 62.275 59.839 2.436 1
1 400 . 13 1 1 A 39 39 VAL HA H 39 4.134 4.760 -0.626 1
1 401 . 13 1 1 A 39 39 VAL CB C 39 32.877 35.199 -2.322 1
1 411 . 13 1 1 A 39 39 VAL C C 39 176.275 173.666 2.609 1
1 412 . 13 1 1 A 40 40 LYS N N 40 125.416 127.304 -1.888 1
1 413 . 13 1 1 A 40 40 LYS H H 40 8.482 8.427 0.055 1
1 414 . 13 1 1 A 40 40 LYS CA C 40 56.257 54.755 1.502 1
1 415 . 13 1 1 A 40 40 LYS HA H 40 4.392 4.734 -0.342 1
1 416 . 13 1 1 A 40 40 LYS CB C 40 33.006 34.630 -1.624 1
1 427 . 13 1 1 A 40 40 LYS C C 40 176.346 175.841 0.505 1
1 428 . 13 1 1 A 41 41 SER N N 41 117.710 115.331 2.379 1
1 429 . 13 1 1 A 41 41 SER H H 41 8.326 9.032 -0.706 1
1 430 . 13 1 1 A 41 41 SER CA C 41 58.775 58.978 -0.203 1
1 431 . 13 1 1 A 41 41 SER HA H 41 4.491 4.099 0.392 1
1 432 . 13 1 1 A 41 41 SER CB C 41 63.841 61.554 2.287 1
1 435 . 13 1 1 A 41 41 SER C C 41 173.882 173.761 0.121 1
1 436 . 13 1 1 A 42 42 GLY N N 42 116.832 108.628 8.204 1
1 437 . 13 1 1 A 42 42 GLY H H 42 8.057 8.179 -0.122 1
1 438 . 13 1 1 A 42 42 GLY CA C 42 44.640 46.589 -1.949 1
1 439 . 13 1 1 A 42 42 GLY HA2 H 42 4.144 4.366 -0.222 1
1 440 . 13 1 1 A 42 42 GLY HA3 H 42 4.144 4.367 -0.223 1
1 441 . 13 1 1 A 42 42 GLY C C 42 178.957 173.896 5.061 1
1 442 . 13 1 1 A 43 43 PRO CA C 43 63.377 64.298 -0.921 1
1 443 . 13 1 1 A 43 43 PRO HA H 43 4.491 4.539 -0.048 1
1 444 . 13 1 1 A 43 43 PRO CB C 43 32.201 31.813 0.388 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.660 45.273 0.387 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.931 4.217 -0.286 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.931 4.219 -0.288 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.138 171.389 2.749 1
1 5 . 14 1 1 A 8 8 GLN N N 8 119.891 123.233 -3.342 1
1 6 . 14 1 1 A 8 8 GLN H H 8 8.206 8.406 -0.200 1
1 7 . 14 1 1 A 8 8 GLN CA C 8 55.820 54.390 1.430 1
1 8 . 14 1 1 A 8 8 GLN HA H 8 4.341 5.056 -0.715 1
1 9 . 14 1 1 A 8 8 GLN CB C 8 29.497 31.186 -1.689 1
1 18 . 14 1 1 A 8 8 GLN C C 8 176.071 175.328 0.743 1
1 19 . 14 1 1 A 9 9 LYS N N 9 122.781 124.171 -1.390 1
1 20 . 14 1 1 A 9 9 LYS H H 9 8.408 8.745 -0.337 1
1 21 . 14 1 1 A 9 9 LYS CA C 9 56.490 58.882 -2.392 1
1 22 . 14 1 1 A 9 9 LYS HA H 9 4.292 4.305 -0.013 1
1 23 . 14 1 1 A 9 9 LYS CB C 9 33.055 32.893 0.162 1
1 35 . 14 1 1 A 9 9 LYS C C 9 176.568 177.499 -0.931 1
1 36 . 14 1 1 A 10 10 GLU N N 10 121.884 119.324 2.560 1
1 37 . 14 1 1 A 10 10 GLU H H 10 8.435 7.845 0.590 1
1 38 . 14 1 1 A 10 10 GLU CA C 10 56.644 57.422 -0.778 1
1 39 . 14 1 1 A 10 10 GLU HA H 10 4.239 4.302 -0.063 1
1 40 . 14 1 1 A 10 10 GLU CB C 10 30.349 29.678 0.671 1
1 46 . 14 1 1 A 10 10 GLU C C 10 176.223 176.864 -0.641 1
1 47 . 14 1 1 A 11 11 LYS N N 11 122.536 123.871 -1.335 1
1 48 . 14 1 1 A 11 11 LYS H H 11 8.406 8.139 0.267 1
1 49 . 14 1 1 A 11 11 LYS CA C 11 56.095 56.725 -0.630 1
1 50 . 14 1 1 A 11 11 LYS HA H 11 4.235 4.143 0.092 1
1 51 . 14 1 1 A 11 11 LYS CB C 11 32.883 32.591 0.292 1
1 63 . 14 1 1 A 11 11 LYS C C 11 175.448 175.408 0.040 1
1 64 . 14 1 1 A 12 12 CYS N N 12 119.041 125.513 -6.472 1
1 65 . 14 1 1 A 12 12 CYS H H 12 7.970 8.213 -0.243 1
1 66 . 14 1 1 A 12 12 CYS CA C 12 57.850 58.493 -0.643 1
1 67 . 14 1 1 A 12 12 CYS HA H 12 4.523 4.578 -0.055 1
1 68 . 14 1 1 A 12 12 CYS CB C 12 28.790 29.012 -0.222 1
1 71 . 14 1 1 A 12 12 CYS C C 12 173.137 173.941 -0.804 1
1 72 . 14 1 1 A 13 13 PHE N N 13 123.659 120.810 2.849 1
1 73 . 14 1 1 A 13 13 PHE H H 13 8.796 9.102 -0.306 1
1 74 . 14 1 1 A 13 13 PHE CA C 13 57.405 56.586 0.819 1
1 75 . 14 1 1 A 13 13 PHE HA H 13 4.636 5.259 -0.623 1
1 76 . 14 1 1 A 13 13 PHE CB C 13 39.505 41.601 -2.096 1
1 89 . 14 1 1 A 13 13 PHE C C 13 174.193 174.286 -0.093 1
1 90 . 14 1 1 A 14 14 LYS N N 14 125.302 124.838 0.464 1
1 91 . 14 1 1 A 14 14 LYS H H 14 8.659 9.182 -0.523 1
1 92 . 14 1 1 A 14 14 LYS CA C 14 55.196 54.276 0.920 1
1 93 . 14 1 1 A 14 14 LYS HA H 14 4.831 5.210 -0.379 1
1 94 . 14 1 1 A 14 14 LYS CB C 14 35.042 35.386 -0.344 1
1 105 . 14 1 1 A 14 14 LYS C C 14 175.026 175.469 -0.443 1
1 106 . 14 1 1 A 15 15 CYS N N 15 127.929 124.388 3.541 1
1 107 . 14 1 1 A 15 15 CYS H H 15 8.710 8.849 -0.139 1
1 108 . 14 1 1 A 15 15 CYS CA C 15 60.083 58.050 2.033 1
1 109 . 14 1 1 A 15 15 CYS HA H 15 4.578 5.028 -0.450 1
1 110 . 14 1 1 A 15 15 CYS CB C 15 29.646 29.991 -0.345 1
1 113 . 14 1 1 A 15 15 CYS C C 15 175.715 175.390 0.325 1
1 114 . 14 1 1 A 16 16 ASN N N 16 126.460 124.218 2.242 1
1 115 . 14 1 1 A 16 16 ASN H H 16 9.033 8.505 0.528 1
1 116 . 14 1 1 A 16 16 ASN CA C 16 54.820 52.337 2.483 1
1 117 . 14 1 1 A 16 16 ASN HA H 16 4.728 5.001 -0.273 1
1 118 . 14 1 1 A 16 16 ASN CB C 16 38.681 38.975 -0.294 1
1 124 . 14 1 1 A 16 16 ASN C C 16 176.123 176.174 -0.051 1
1 125 . 14 1 1 A 17 17 LYS N N 17 121.823 119.336 2.487 1
1 126 . 14 1 1 A 17 17 LYS H H 17 9.444 7.791 1.653 1
1 127 . 14 1 1 A 17 17 LYS CA C 17 56.577 57.006 -0.429 1
1 128 . 14 1 1 A 17 17 LYS HA H 17 4.368 4.373 -0.005 1
1 129 . 14 1 1 A 17 17 LYS CB C 17 33.308 34.374 -1.066 1
1 141 . 14 1 1 A 17 17 LYS C C 17 176.102 177.647 -1.545 1
1 142 . 14 1 1 A 18 18 CYS N N 18 118.544 114.410 4.134 1
1 143 . 14 1 1 A 18 18 CYS H H 18 7.918 7.995 -0.077 1
1 144 . 14 1 1 A 18 18 CYS CA C 18 58.610 59.371 -0.761 1
1 145 . 14 1 1 A 18 18 CYS HA H 18 5.016 4.477 0.539 1
1 146 . 14 1 1 A 18 18 CYS CB C 18 30.648 29.289 1.359 1
1 149 . 14 1 1 A 18 18 CYS C C 18 173.625 174.985 -1.360 1
1 150 . 14 1 1 A 19 19 GLU N N 19 115.419 116.326 -0.907 1
1 151 . 14 1 1 A 19 19 GLU H H 19 8.498 7.977 0.521 1
1 152 . 14 1 1 A 19 19 GLU CA C 19 57.672 57.533 0.139 1
1 153 . 14 1 1 A 19 19 GLU HA H 19 4.229 4.123 0.106 1
1 154 . 14 1 1 A 19 19 GLU CB C 19 28.577 27.268 1.309 1
1 160 . 14 1 1 A 19 19 GLU C C 19 176.219 174.982 1.237 1
1 161 . 14 1 1 A 20 20 LYS N N 20 122.785 118.297 4.488 1
1 162 . 14 1 1 A 20 20 LYS H H 20 8.283 7.685 0.598 1
1 163 . 14 1 1 A 20 20 LYS CA C 20 58.127 54.779 3.348 1
1 164 . 14 1 1 A 20 20 LYS HA H 20 4.033 4.686 -0.653 1
1 165 . 14 1 1 A 20 20 LYS CB C 20 33.528 34.466 -0.938 1
1 177 . 14 1 1 A 20 20 LYS C C 20 174.855 176.317 -1.462 1
1 178 . 14 1 1 A 21 21 THR N N 21 110.456 116.688 -6.232 1
1 179 . 14 1 1 A 21 21 THR H H 21 7.497 8.553 -1.056 1
1 180 . 14 1 1 A 21 21 THR CA C 21 59.617 61.703 -2.086 1
1 181 . 14 1 1 A 21 21 THR HA H 21 5.051 4.670 0.381 1
1 182 . 14 1 1 A 21 21 THR CB C 21 71.680 69.748 1.932 1
1 188 . 14 1 1 A 21 21 THR C C 21 173.142 174.133 -0.991 1
1 189 . 14 1 1 A 22 22 PHE N N 22 117.251 121.514 -4.263 1
1 190 . 14 1 1 A 22 22 PHE H H 22 8.746 8.849 -0.103 1
1 191 . 14 1 1 A 22 22 PHE CA C 22 57.180 57.127 0.053 1
1 192 . 14 1 1 A 22 22 PHE HA H 22 4.963 4.918 0.045 1
1 193 . 14 1 1 A 22 22 PHE CB C 22 44.791 42.127 2.664 1
1 206 . 14 1 1 A 22 22 PHE C C 22 176.046 176.471 -0.425 1
1 207 . 14 1 1 A 23 23 SER CA C 23 59.336 60.684 -1.348 1
1 208 . 14 1 1 A 23 23 SER HA H 23 4.754 4.560 0.194 1
1 209 . 14 1 1 A 23 23 SER CB C 23 64.271 63.413 0.858 1
1 212 . 14 1 1 A 24 24 CYS N N 24 113.033 119.271 -6.238 1
1 213 . 14 1 1 A 24 24 CYS H H 24 7.330 8.204 -0.874 1
1 214 . 14 1 1 A 24 24 CYS CA C 24 56.095 57.520 -1.425 1
1 215 . 14 1 1 A 24 24 CYS HA H 24 4.482 4.933 -0.451 1
1 216 . 14 1 1 A 24 24 CYS CB C 24 30.326 30.625 -0.299 1
1 219 . 14 1 1 A 25 25 SER CA C 25 60.983 61.385 -0.402 1
1 220 . 14 1 1 A 25 25 SER HA H 25 3.348 3.906 -0.558 1
1 221 . 14 1 1 A 25 25 SER CB C 25 62.224 62.748 -0.524 1
1 224 . 14 1 1 A 26 26 LYS H H 26 8.166 8.012 0.154 1
1 225 . 14 1 1 A 26 26 LYS CA C 26 59.574 58.723 0.851 1
1 226 . 14 1 1 A 26 26 LYS HA H 26 3.971 3.962 0.009 1
1 227 . 14 1 1 A 26 26 LYS CB C 26 31.930 31.846 0.084 1
1 239 . 14 1 1 A 26 26 LYS C C 26 178.526 177.940 0.586 1
1 240 . 14 1 1 A 27 27 TYR N N 27 117.062 119.581 -2.519 1
1 241 . 14 1 1 A 27 27 TYR H H 27 6.995 7.853 -0.858 1
1 242 . 14 1 1 A 27 27 TYR CA C 27 57.700 60.686 -2.986 1
1 243 . 14 1 1 A 27 27 TYR HA H 27 4.498 4.248 0.250 1
1 244 . 14 1 1 A 27 27 TYR CB C 27 36.779 38.165 -1.386 1
1 255 . 14 1 1 A 27 27 TYR C C 27 178.560 178.138 0.422 1
1 256 . 14 1 1 A 28 28 LEU N N 28 122.433 121.237 1.196 1
1 257 . 14 1 1 A 28 28 LEU H H 28 7.156 8.102 -0.946 1
1 258 . 14 1 1 A 28 28 LEU CA C 28 58.234 57.681 0.553 1
1 259 . 14 1 1 A 28 28 LEU HA H 28 3.396 3.312 0.084 1
1 260 . 14 1 1 A 28 28 LEU CB C 28 40.519 41.394 -0.875 1
1 273 . 14 1 1 A 28 28 LEU C C 28 177.446 178.389 -0.943 1
1 274 . 14 1 1 A 29 29 THR N N 29 115.799 113.816 1.983 1
1 275 . 14 1 1 A 29 29 THR H H 29 8.543 8.246 0.297 1
1 276 . 14 1 1 A 29 29 THR CA C 29 66.539 66.203 0.336 1
1 277 . 14 1 1 A 29 29 THR HA H 29 3.972 3.732 0.240 1
1 278 . 14 1 1 A 29 29 THR CB C 29 68.701 68.533 0.168 1
1 284 . 14 1 1 A 29 29 THR C C 29 177.042 176.515 0.527 1
1 285 . 14 1 1 A 30 30 GLN N N 30 118.831 118.393 0.438 1
1 286 . 14 1 1 A 30 30 GLN H H 30 7.568 7.721 -0.153 1
1 287 . 14 1 1 A 30 30 GLN CA C 30 58.801 58.998 -0.197 1
1 288 . 14 1 1 A 30 30 GLN HA H 30 3.971 3.910 0.061 1
1 289 . 14 1 1 A 30 30 GLN CB C 30 28.596 28.370 0.226 1
1 298 . 14 1 1 A 30 30 GLN C C 30 178.233 178.149 0.084 1
1 299 . 14 1 1 A 31 31 HIS N N 31 119.357 119.725 -0.368 1
1 300 . 14 1 1 A 31 31 HIS H H 31 7.565 7.773 -0.208 1
1 301 . 14 1 1 A 31 31 HIS CA C 31 59.086 59.738 -0.652 1
1 302 . 14 1 1 A 31 31 HIS HA H 31 4.227 4.145 0.082 1
1 303 . 14 1 1 A 31 31 HIS CB C 31 28.676 29.840 -1.164 1
1 310 . 14 1 1 A 31 31 HIS C C 31 176.294 176.515 -0.221 1
1 311 . 14 1 1 A 32 32 GLU N N 32 116.614 117.189 -0.575 1
1 312 . 14 1 1 A 32 32 GLU H H 32 8.508 8.856 -0.348 1
1 313 . 14 1 1 A 32 32 GLU CA C 32 60.064 60.032 0.032 1
1 314 . 14 1 1 A 32 32 GLU HA H 32 3.695 4.101 -0.406 1
1 315 . 14 1 1 A 32 32 GLU CB C 32 29.809 29.449 0.360 1
1 321 . 14 1 1 A 32 32 GLU C C 32 178.085 179.030 -0.945 1
1 322 . 14 1 1 A 33 33 ARG N N 33 116.851 119.475 -2.624 1
1 323 . 14 1 1 A 33 33 ARG H H 33 7.041 7.962 -0.921 1
1 324 . 14 1 1 A 33 33 ARG CA C 33 58.355 58.926 -0.571 1
1 325 . 14 1 1 A 33 33 ARG HA H 33 4.121 3.945 0.176 1
1 326 . 14 1 1 A 33 33 ARG CB C 33 30.200 29.818 0.382 1
1 335 . 14 1 1 A 33 33 ARG C C 33 178.487 178.813 -0.326 1
1 336 . 14 1 1 A 34 34 ILE N N 34 116.576 117.726 -1.150 1
1 337 . 14 1 1 A 34 34 ILE H H 34 7.947 8.247 -0.300 1
1 338 . 14 1 1 A 34 34 ILE CA C 34 63.154 63.661 -0.507 1
1 339 . 14 1 1 A 34 34 ILE HA H 34 3.952 3.787 0.165 1
1 340 . 14 1 1 A 34 34 ILE CB C 34 37.652 37.157 0.495 1
1 353 . 14 1 1 A 34 34 ILE C C 34 177.459 176.182 1.277 1
1 354 . 14 1 1 A 35 35 HIS N N 35 117.114 120.783 -3.669 1
1 355 . 14 1 1 A 35 35 HIS H H 35 7.243 7.743 -0.500 1
1 356 . 14 1 1 A 35 35 HIS CA C 35 55.496 54.738 0.758 1
1 357 . 14 1 1 A 35 35 HIS HA H 35 4.776 4.722 0.054 1
1 358 . 14 1 1 A 35 35 HIS CB C 35 28.583 27.906 0.677 1
1 365 . 14 1 1 A 35 35 HIS C C 35 175.451 173.888 1.563 1
1 366 . 14 1 1 A 36 36 THR N N 36 112.873 112.960 -0.087 1
1 367 . 14 1 1 A 36 36 THR H H 36 7.691 8.250 -0.559 1
1 368 . 14 1 1 A 36 36 THR CA C 36 62.256 59.447 2.809 1
1 369 . 14 1 1 A 36 36 THR HA H 36 4.377 4.865 -0.488 1
1 370 . 14 1 1 A 36 36 THR CB C 36 69.760 72.165 -2.405 1
1 376 . 14 1 1 A 36 36 THR C C 36 174.552 173.393 1.159 1
1 377 . 14 1 1 A 37 37 ARG N N 37 122.792 120.389 2.403 1
1 378 . 14 1 1 A 37 37 ARG H H 37 8.176 8.884 -0.708 1
1 379 . 14 1 1 A 37 37 ARG CA C 37 56.728 56.500 0.228 1
1 380 . 14 1 1 A 37 37 ARG HA H 37 4.369 4.648 -0.279 1
1 381 . 14 1 1 A 37 37 ARG CB C 37 30.703 33.110 -2.407 1
1 390 . 14 1 1 A 37 37 ARG C C 37 176.742 176.475 0.267 1
1 391 . 14 1 1 A 38 38 GLY N N 38 110.024 109.797 0.227 1
1 392 . 14 1 1 A 38 38 GLY H H 38 8.396 8.394 0.002 1
1 393 . 14 1 1 A 38 38 GLY CA C 38 45.327 44.564 0.763 1
1 394 . 14 1 1 A 38 38 GLY HA2 H 38 3.983 4.068 -0.085 1
1 395 . 14 1 1 A 38 38 GLY HA3 H 38 3.983 4.069 -0.086 1
1 396 . 14 1 1 A 38 38 GLY C C 38 174.010 174.699 -0.689 1
1 397 . 14 1 1 A 39 39 VAL N N 39 119.355 117.348 2.007 1
1 398 . 14 1 1 A 39 39 VAL H H 39 7.972 8.652 -0.680 1
1 399 . 14 1 1 A 39 39 VAL CA C 39 62.275 62.808 -0.533 1
1 400 . 14 1 1 A 39 39 VAL HA H 39 4.134 3.630 0.504 1
1 401 . 14 1 1 A 39 39 VAL CB C 39 32.877 30.066 2.811 1
1 411 . 14 1 1 A 39 39 VAL C C 39 176.275 174.774 1.501 1
1 412 . 14 1 1 A 40 40 LYS N N 40 125.416 119.788 5.628 1
1 413 . 14 1 1 A 40 40 LYS H H 40 8.482 7.660 0.822 1
1 414 . 14 1 1 A 40 40 LYS CA C 40 56.257 54.277 1.980 1
1 415 . 14 1 1 A 40 40 LYS HA H 40 4.392 4.932 -0.540 1
1 416 . 14 1 1 A 40 40 LYS CB C 40 33.006 35.651 -2.645 1
1 427 . 14 1 1 A 40 40 LYS C C 40 176.346 175.565 0.781 1
1 428 . 14 1 1 A 41 41 SER N N 41 117.710 119.308 -1.598 1
1 429 . 14 1 1 A 41 41 SER H H 41 8.326 8.603 -0.277 1
1 430 . 14 1 1 A 41 41 SER CA C 41 58.775 59.180 -0.405 1
1 431 . 14 1 1 A 41 41 SER HA H 41 4.491 4.649 -0.158 1
1 432 . 14 1 1 A 41 41 SER CB C 41 63.841 63.331 0.510 1
1 435 . 14 1 1 A 41 41 SER C C 41 173.882 174.968 -1.086 1
1 436 . 14 1 1 A 42 42 GLY N N 42 116.832 111.911 4.921 1
1 437 . 14 1 1 A 42 42 GLY H H 42 8.057 8.485 -0.428 1
1 438 . 14 1 1 A 42 42 GLY CA C 42 44.640 45.037 -0.397 1
1 439 . 14 1 1 A 42 42 GLY HA2 H 42 4.144 4.041 0.103 1
1 440 . 14 1 1 A 42 42 GLY HA3 H 42 4.144 4.041 0.103 1
1 441 . 14 1 1 A 42 42 GLY C C 42 178.957 174.238 4.719 1
1 442 . 14 1 1 A 43 43 PRO CA C 43 63.377 63.620 -0.243 1
1 443 . 14 1 1 A 43 43 PRO HA H 43 4.491 4.522 -0.031 1
1 444 . 14 1 1 A 43 43 PRO CB C 43 32.201 31.992 0.209 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.660 45.402 0.258 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.931 4.100 -0.169 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.931 4.101 -0.170 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.138 175.034 -0.896 1
1 5 . 15 1 1 A 8 8 GLN N N 8 119.891 119.268 0.623 1
1 6 . 15 1 1 A 8 8 GLN H H 8 8.206 7.885 0.321 1
1 7 . 15 1 1 A 8 8 GLN CA C 8 55.820 58.643 -2.823 1
1 8 . 15 1 1 A 8 8 GLN HA H 8 4.341 4.088 0.253 1
1 9 . 15 1 1 A 8 8 GLN CB C 8 29.497 28.476 1.021 1
1 18 . 15 1 1 A 8 8 GLN C C 8 176.071 177.907 -1.836 1
1 19 . 15 1 1 A 9 9 LYS N N 9 122.781 118.708 4.073 1
1 20 . 15 1 1 A 9 9 LYS H H 9 8.408 8.009 0.399 1
1 21 . 15 1 1 A 9 9 LYS CA C 9 56.490 59.427 -2.937 1
1 22 . 15 1 1 A 9 9 LYS HA H 9 4.292 4.014 0.278 1
1 23 . 15 1 1 A 9 9 LYS CB C 9 33.055 32.222 0.833 1
1 35 . 15 1 1 A 9 9 LYS C C 9 176.568 177.655 -1.087 1
1 36 . 15 1 1 A 10 10 GLU N N 10 121.884 117.717 4.167 1
1 37 . 15 1 1 A 10 10 GLU H H 10 8.435 7.907 0.528 1
1 38 . 15 1 1 A 10 10 GLU CA C 10 56.644 55.779 0.865 1
1 39 . 15 1 1 A 10 10 GLU HA H 10 4.239 4.474 -0.235 1
1 40 . 15 1 1 A 10 10 GLU CB C 10 30.349 30.653 -0.304 1
1 46 . 15 1 1 A 10 10 GLU C C 10 176.223 175.836 0.387 1
1 47 . 15 1 1 A 11 11 LYS N N 11 122.536 119.405 3.131 1
1 48 . 15 1 1 A 11 11 LYS H H 11 8.406 9.049 -0.643 1
1 49 . 15 1 1 A 11 11 LYS CA C 11 56.095 54.303 1.792 1
1 50 . 15 1 1 A 11 11 LYS HA H 11 4.235 4.950 -0.715 1
1 51 . 15 1 1 A 11 11 LYS CB C 11 32.883 35.791 -2.908 1
1 63 . 15 1 1 A 11 11 LYS C C 11 175.448 174.341 1.107 1
1 64 . 15 1 1 A 12 12 CYS N N 12 119.041 120.754 -1.713 1
1 65 . 15 1 1 A 12 12 CYS H H 12 7.970 8.867 -0.897 1
1 66 . 15 1 1 A 12 12 CYS CA C 12 57.850 56.564 1.286 1
1 67 . 15 1 1 A 12 12 CYS HA H 12 4.523 5.124 -0.601 1
1 68 . 15 1 1 A 12 12 CYS CB C 12 28.790 30.663 -1.873 1
1 71 . 15 1 1 A 12 12 CYS C C 12 173.137 173.193 -0.056 1
1 72 . 15 1 1 A 13 13 PHE N N 13 123.659 126.878 -3.219 1
1 73 . 15 1 1 A 13 13 PHE H H 13 8.796 9.218 -0.422 1
1 74 . 15 1 1 A 13 13 PHE CA C 13 57.405 57.851 -0.446 1
1 75 . 15 1 1 A 13 13 PHE HA H 13 4.636 4.909 -0.273 1
1 76 . 15 1 1 A 13 13 PHE CB C 13 39.505 38.709 0.796 1
1 89 . 15 1 1 A 13 13 PHE C C 13 174.193 174.912 -0.719 1
1 90 . 15 1 1 A 14 14 LYS N N 14 125.302 125.340 -0.038 1
1 91 . 15 1 1 A 14 14 LYS H H 14 8.659 8.901 -0.242 1
1 92 . 15 1 1 A 14 14 LYS CA C 14 55.196 54.573 0.623 1
1 93 . 15 1 1 A 14 14 LYS HA H 14 4.831 5.141 -0.310 1
1 94 . 15 1 1 A 14 14 LYS CB C 14 35.042 35.702 -0.660 1
1 105 . 15 1 1 A 14 14 LYS C C 14 175.026 175.842 -0.816 1
1 106 . 15 1 1 A 15 15 CYS N N 15 127.929 125.364 2.565 1
1 107 . 15 1 1 A 15 15 CYS H H 15 8.710 8.727 -0.017 1
1 108 . 15 1 1 A 15 15 CYS CA C 15 60.083 58.723 1.360 1
1 109 . 15 1 1 A 15 15 CYS HA H 15 4.578 4.738 -0.160 1
1 110 . 15 1 1 A 15 15 CYS CB C 15 29.646 29.382 0.264 1
1 113 . 15 1 1 A 15 15 CYS C C 15 175.715 174.273 1.442 1
1 114 . 15 1 1 A 16 16 ASN N N 16 126.460 122.926 3.534 1
1 115 . 15 1 1 A 16 16 ASN H H 16 9.033 9.026 0.007 1
1 116 . 15 1 1 A 16 16 ASN CA C 16 54.820 54.736 0.084 1
1 117 . 15 1 1 A 16 16 ASN HA H 16 4.728 4.883 -0.155 1
1 118 . 15 1 1 A 16 16 ASN CB C 16 38.681 40.291 -1.610 1
1 124 . 15 1 1 A 16 16 ASN C C 16 176.123 177.093 -0.970 1
1 125 . 15 1 1 A 17 17 LYS N N 17 121.823 117.880 3.943 1
1 126 . 15 1 1 A 17 17 LYS H H 17 9.444 8.372 1.072 1
1 127 . 15 1 1 A 17 17 LYS CA C 17 56.577 59.381 -2.804 1
1 128 . 15 1 1 A 17 17 LYS HA H 17 4.368 3.775 0.593 1
1 129 . 15 1 1 A 17 17 LYS CB C 17 33.308 32.026 1.282 1
1 141 . 15 1 1 A 17 17 LYS C C 17 176.102 178.263 -2.161 1
1 142 . 15 1 1 A 18 18 CYS N N 18 118.544 114.988 3.556 1
1 143 . 15 1 1 A 18 18 CYS H H 18 7.918 7.702 0.216 1
1 144 . 15 1 1 A 18 18 CYS CA C 18 58.610 59.861 -1.251 1
1 145 . 15 1 1 A 18 18 CYS HA H 18 5.016 4.506 0.510 1
1 146 . 15 1 1 A 18 18 CYS CB C 18 30.648 29.641 1.007 1
1 149 . 15 1 1 A 18 18 CYS C C 18 173.625 175.353 -1.728 1
1 150 . 15 1 1 A 19 19 GLU N N 19 115.419 116.516 -1.097 1
1 151 . 15 1 1 A 19 19 GLU H H 19 8.498 8.052 0.446 1
1 152 . 15 1 1 A 19 19 GLU CA C 19 57.672 57.616 0.056 1
1 153 . 15 1 1 A 19 19 GLU HA H 19 4.229 4.255 -0.026 1
1 154 . 15 1 1 A 19 19 GLU CB C 19 28.577 27.301 1.276 1
1 160 . 15 1 1 A 19 19 GLU C C 19 176.219 174.883 1.336 1
1 161 . 15 1 1 A 20 20 LYS N N 20 122.785 118.226 4.559 1
1 162 . 15 1 1 A 20 20 LYS H H 20 8.283 7.239 1.044 1
1 163 . 15 1 1 A 20 20 LYS CA C 20 58.127 54.197 3.930 1
1 164 . 15 1 1 A 20 20 LYS HA H 20 4.033 4.833 -0.800 1
1 165 . 15 1 1 A 20 20 LYS CB C 20 33.528 34.617 -1.089 1
1 177 . 15 1 1 A 20 20 LYS C C 20 174.855 176.678 -1.823 1
1 178 . 15 1 1 A 21 21 THR N N 21 110.456 115.940 -5.484 1
1 179 . 15 1 1 A 21 21 THR H H 21 7.497 8.498 -1.001 1
1 180 . 15 1 1 A 21 21 THR CA C 21 59.617 61.573 -1.956 1
1 181 . 15 1 1 A 21 21 THR HA H 21 5.051 4.684 0.367 1
1 182 . 15 1 1 A 21 21 THR CB C 21 71.680 69.953 1.727 1
1 188 . 15 1 1 A 21 21 THR C C 21 173.142 173.976 -0.834 1
1 189 . 15 1 1 A 22 22 PHE N N 22 117.251 119.157 -1.906 1
1 190 . 15 1 1 A 22 22 PHE H H 22 8.746 8.372 0.374 1
1 191 . 15 1 1 A 22 22 PHE CA C 22 57.180 56.384 0.796 1
1 192 . 15 1 1 A 22 22 PHE HA H 22 4.963 4.988 -0.025 1
1 193 . 15 1 1 A 22 22 PHE CB C 22 44.791 43.655 1.136 1
1 206 . 15 1 1 A 22 22 PHE C C 22 176.046 175.742 0.304 1
1 207 . 15 1 1 A 23 23 SER CA C 23 59.336 60.337 -1.001 1
1 208 . 15 1 1 A 23 23 SER HA H 23 4.754 4.600 0.154 1
1 209 . 15 1 1 A 23 23 SER CB C 23 64.271 64.208 0.063 1
1 212 . 15 1 1 A 24 24 CYS N N 24 113.033 119.341 -6.308 1
1 213 . 15 1 1 A 24 24 CYS H H 24 7.330 7.756 -0.426 1
1 214 . 15 1 1 A 24 24 CYS CA C 24 56.095 57.782 -1.687 1
1 215 . 15 1 1 A 24 24 CYS HA H 24 4.482 4.821 -0.339 1
1 216 . 15 1 1 A 24 24 CYS CB C 24 30.326 30.919 -0.593 1
1 219 . 15 1 1 A 25 25 SER CA C 25 60.983 61.096 -0.113 1
1 220 . 15 1 1 A 25 25 SER HA H 25 3.348 3.511 -0.163 1
1 221 . 15 1 1 A 25 25 SER CB C 25 62.224 62.564 -0.340 1
1 224 . 15 1 1 A 26 26 LYS H H 26 8.166 8.039 0.127 1
1 225 . 15 1 1 A 26 26 LYS CA C 26 59.574 59.547 0.027 1
1 226 . 15 1 1 A 26 26 LYS HA H 26 3.971 3.932 0.039 1
1 227 . 15 1 1 A 26 26 LYS CB C 26 31.930 32.361 -0.431 1
1 239 . 15 1 1 A 26 26 LYS C C 26 178.526 178.430 0.096 1
1 240 . 15 1 1 A 27 27 TYR N N 27 117.062 118.983 -1.921 1
1 241 . 15 1 1 A 27 27 TYR H H 27 6.995 8.283 -1.288 1
1 242 . 15 1 1 A 27 27 TYR CA C 27 57.700 60.624 -2.924 1
1 243 . 15 1 1 A 27 27 TYR HA H 27 4.498 4.264 0.234 1
1 244 . 15 1 1 A 27 27 TYR CB C 27 36.779 38.005 -1.226 1
1 255 . 15 1 1 A 27 27 TYR C C 27 178.560 178.205 0.355 1
1 256 . 15 1 1 A 28 28 LEU N N 28 122.433 120.885 1.548 1
1 257 . 15 1 1 A 28 28 LEU H H 28 7.156 7.843 -0.687 1
1 258 . 15 1 1 A 28 28 LEU CA C 28 58.234 57.598 0.636 1
1 259 . 15 1 1 A 28 28 LEU HA H 28 3.396 3.279 0.117 1
1 260 . 15 1 1 A 28 28 LEU CB C 28 40.519 41.256 -0.737 1
1 273 . 15 1 1 A 28 28 LEU C C 28 177.446 178.336 -0.890 1
1 274 . 15 1 1 A 29 29 THR N N 29 115.799 114.567 1.232 1
1 275 . 15 1 1 A 29 29 THR H H 29 8.543 8.145 0.398 1
1 276 . 15 1 1 A 29 29 THR CA C 29 66.539 66.259 0.280 1
1 277 . 15 1 1 A 29 29 THR HA H 29 3.972 3.771 0.201 1
1 278 . 15 1 1 A 29 29 THR CB C 29 68.701 68.435 0.266 1
1 284 . 15 1 1 A 29 29 THR C C 29 177.042 176.514 0.528 1
1 285 . 15 1 1 A 30 30 GLN N N 30 118.831 121.056 -2.225 1
1 286 . 15 1 1 A 30 30 GLN H H 30 7.568 8.136 -0.568 1
1 287 . 15 1 1 A 30 30 GLN CA C 30 58.801 58.748 0.053 1
1 288 . 15 1 1 A 30 30 GLN HA H 30 3.971 3.834 0.137 1
1 289 . 15 1 1 A 30 30 GLN CB C 30 28.596 27.964 0.632 1
1 298 . 15 1 1 A 30 30 GLN C C 30 178.233 177.932 0.301 1
1 299 . 15 1 1 A 31 31 HIS N N 31 119.357 119.535 -0.178 1
1 300 . 15 1 1 A 31 31 HIS H H 31 7.565 7.957 -0.392 1
1 301 . 15 1 1 A 31 31 HIS CA C 31 59.086 59.780 -0.694 1
1 302 . 15 1 1 A 31 31 HIS HA H 31 4.227 4.232 -0.005 1
1 303 . 15 1 1 A 31 31 HIS CB C 31 28.676 29.841 -1.165 1
1 310 . 15 1 1 A 31 31 HIS C C 31 176.294 176.559 -0.265 1
1 311 . 15 1 1 A 32 32 GLU N N 32 116.614 117.211 -0.597 1
1 312 . 15 1 1 A 32 32 GLU H H 32 8.508 8.783 -0.275 1
1 313 . 15 1 1 A 32 32 GLU CA C 32 60.064 59.898 0.166 1
1 314 . 15 1 1 A 32 32 GLU HA H 32 3.695 3.936 -0.241 1
1 315 . 15 1 1 A 32 32 GLU CB C 32 29.809 29.425 0.384 1
1 321 . 15 1 1 A 32 32 GLU C C 32 178.085 178.957 -0.872 1
1 322 . 15 1 1 A 33 33 ARG N N 33 116.851 119.435 -2.584 1
1 323 . 15 1 1 A 33 33 ARG H H 33 7.041 8.024 -0.983 1
1 324 . 15 1 1 A 33 33 ARG CA C 33 58.355 58.904 -0.549 1
1 325 . 15 1 1 A 33 33 ARG HA H 33 4.121 3.932 0.189 1
1 326 . 15 1 1 A 33 33 ARG CB C 33 30.200 29.803 0.397 1
1 335 . 15 1 1 A 33 33 ARG C C 33 178.487 178.800 -0.313 1
1 336 . 15 1 1 A 34 34 ILE N N 34 116.576 117.584 -1.008 1
1 337 . 15 1 1 A 34 34 ILE H H 34 7.947 8.102 -0.155 1
1 338 . 15 1 1 A 34 34 ILE CA C 34 63.154 63.715 -0.561 1
1 339 . 15 1 1 A 34 34 ILE HA H 34 3.952 3.733 0.219 1
1 340 . 15 1 1 A 34 34 ILE CB C 34 37.652 37.221 0.431 1
1 353 . 15 1 1 A 34 34 ILE C C 34 177.459 177.555 -0.096 1
1 354 . 15 1 1 A 35 35 HIS N N 35 117.114 119.632 -2.518 1
1 355 . 15 1 1 A 35 35 HIS H H 35 7.243 7.307 -0.064 1
1 356 . 15 1 1 A 35 35 HIS CA C 35 55.496 58.589 -3.093 1
1 357 . 15 1 1 A 35 35 HIS HA H 35 4.776 4.463 0.313 1
1 358 . 15 1 1 A 35 35 HIS CB C 35 28.583 30.737 -2.154 1
1 365 . 15 1 1 A 35 35 HIS C C 35 175.451 176.359 -0.908 1
1 366 . 15 1 1 A 36 36 THR N N 36 112.873 111.206 1.667 1
1 367 . 15 1 1 A 36 36 THR H H 36 7.691 7.408 0.283 1
1 368 . 15 1 1 A 36 36 THR CA C 36 62.256 62.942 -0.686 1
1 369 . 15 1 1 A 36 36 THR HA H 36 4.377 4.173 0.204 1
1 370 . 15 1 1 A 36 36 THR CB C 36 69.760 69.288 0.472 1
1 376 . 15 1 1 A 36 36 THR C C 36 174.552 173.641 0.911 1
1 377 . 15 1 1 A 37 37 ARG N N 37 122.792 126.569 -3.777 1
1 378 . 15 1 1 A 37 37 ARG H H 37 8.176 8.901 -0.725 1
1 379 . 15 1 1 A 37 37 ARG CA C 37 56.728 55.067 1.661 1
1 380 . 15 1 1 A 37 37 ARG HA H 37 4.369 4.866 -0.497 1
1 381 . 15 1 1 A 37 37 ARG CB C 37 30.703 30.652 0.051 1
1 390 . 15 1 1 A 37 37 ARG C C 37 176.742 175.033 1.709 1
1 391 . 15 1 1 A 38 38 GLY N N 38 110.024 110.558 -0.534 1
1 392 . 15 1 1 A 38 38 GLY H H 38 8.396 8.857 -0.461 1
1 393 . 15 1 1 A 38 38 GLY CA C 38 45.327 44.005 1.322 1
1 394 . 15 1 1 A 38 38 GLY HA2 H 38 3.983 4.271 -0.288 1
1 395 . 15 1 1 A 38 38 GLY HA3 H 38 3.983 4.272 -0.289 1
1 396 . 15 1 1 A 38 38 GLY C C 38 174.010 171.555 2.455 1
1 397 . 15 1 1 A 39 39 VAL N N 39 119.355 121.197 -1.842 1
1 398 . 15 1 1 A 39 39 VAL H H 39 7.972 9.092 -1.120 1
1 399 . 15 1 1 A 39 39 VAL CA C 39 62.275 60.873 1.402 1
1 400 . 15 1 1 A 39 39 VAL HA H 39 4.134 4.579 -0.445 1
1 401 . 15 1 1 A 39 39 VAL CB C 39 32.877 32.410 0.467 1
1 411 . 15 1 1 A 39 39 VAL C C 39 176.275 174.367 1.908 1
1 412 . 15 1 1 A 40 40 LYS N N 40 125.416 129.195 -3.779 1
1 413 . 15 1 1 A 40 40 LYS H H 40 8.482 8.869 -0.387 1
1 414 . 15 1 1 A 40 40 LYS CA C 40 56.257 55.233 1.024 1
1 415 . 15 1 1 A 40 40 LYS HA H 40 4.392 4.367 0.025 1
1 416 . 15 1 1 A 40 40 LYS CB C 40 33.006 31.843 1.163 1
1 427 . 15 1 1 A 40 40 LYS C C 40 176.346 175.090 1.256 1
1 428 . 15 1 1 A 41 41 SER N N 41 117.710 121.561 -3.851 1
1 429 . 15 1 1 A 41 41 SER H H 41 8.326 8.090 0.236 1
1 430 . 15 1 1 A 41 41 SER CA C 41 58.775 59.670 -0.895 1
1 431 . 15 1 1 A 41 41 SER HA H 41 4.491 4.581 -0.090 1
1 432 . 15 1 1 A 41 41 SER CB C 41 63.841 62.220 1.621 1
1 435 . 15 1 1 A 41 41 SER C C 41 173.882 174.726 -0.844 1
1 436 . 15 1 1 A 42 42 GLY N N 42 116.832 112.198 4.634 1
1 437 . 15 1 1 A 42 42 GLY H H 42 8.057 8.189 -0.132 1
1 438 . 15 1 1 A 42 42 GLY CA C 42 44.640 44.377 0.263 1
1 439 . 15 1 1 A 42 42 GLY HA2 H 42 4.144 4.110 0.034 1
1 440 . 15 1 1 A 42 42 GLY HA3 H 42 4.144 4.110 0.034 1
1 441 . 15 1 1 A 42 42 GLY C C 42 178.957 172.279 6.678 1
1 442 . 15 1 1 A 43 43 PRO CA C 43 63.377 62.629 0.748 1
1 443 . 15 1 1 A 43 43 PRO HA H 43 4.491 4.579 -0.088 1
1 444 . 15 1 1 A 43 43 PRO CB C 43 32.201 33.175 -0.974 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.660 45.739 -0.079 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.931 4.187 -0.256 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.931 4.188 -0.257 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.138 173.198 0.940 1
1 5 . 16 1 1 A 8 8 GLN N N 8 119.891 121.805 -1.914 1
1 6 . 16 1 1 A 8 8 GLN H H 8 8.206 8.206 0.000 1
1 7 . 16 1 1 A 8 8 GLN CA C 8 55.820 54.012 1.808 1
1 8 . 16 1 1 A 8 8 GLN HA H 8 4.341 4.581 -0.240 1
1 9 . 16 1 1 A 8 8 GLN CB C 8 29.497 27.546 1.951 1
1 18 . 16 1 1 A 8 8 GLN C C 8 176.071 175.786 0.285 1
1 19 . 16 1 1 A 9 9 LYS N N 9 122.781 125.161 -2.380 1
1 20 . 16 1 1 A 9 9 LYS H H 9 8.408 8.358 0.050 1
1 21 . 16 1 1 A 9 9 LYS CA C 9 56.490 59.349 -2.859 1
1 22 . 16 1 1 A 9 9 LYS HA H 9 4.292 4.026 0.266 1
1 23 . 16 1 1 A 9 9 LYS CB C 9 33.055 32.718 0.337 1
1 35 . 16 1 1 A 9 9 LYS C C 9 176.568 176.906 -0.338 1
1 36 . 16 1 1 A 10 10 GLU N N 10 121.884 117.432 4.452 1
1 37 . 16 1 1 A 10 10 GLU H H 10 8.435 7.772 0.663 1
1 38 . 16 1 1 A 10 10 GLU CA C 10 56.644 55.910 0.734 1
1 39 . 16 1 1 A 10 10 GLU HA H 10 4.239 4.368 -0.129 1
1 40 . 16 1 1 A 10 10 GLU CB C 10 30.349 30.459 -0.110 1
1 46 . 16 1 1 A 10 10 GLU C C 10 176.223 176.079 0.144 1
1 47 . 16 1 1 A 11 11 LYS N N 11 122.536 121.659 0.877 1
1 48 . 16 1 1 A 11 11 LYS H H 11 8.406 8.488 -0.082 1
1 49 . 16 1 1 A 11 11 LYS CA C 11 56.095 55.574 0.521 1
1 50 . 16 1 1 A 11 11 LYS HA H 11 4.235 4.629 -0.394 1
1 51 . 16 1 1 A 11 11 LYS CB C 11 32.883 33.123 -0.240 1
1 63 . 16 1 1 A 11 11 LYS C C 11 175.448 175.150 0.298 1
1 64 . 16 1 1 A 12 12 CYS N N 12 119.041 122.750 -3.709 1
1 65 . 16 1 1 A 12 12 CYS H H 12 7.970 8.714 -0.744 1
1 66 . 16 1 1 A 12 12 CYS CA C 12 57.850 57.148 0.702 1
1 67 . 16 1 1 A 12 12 CYS HA H 12 4.523 5.158 -0.635 1
1 68 . 16 1 1 A 12 12 CYS CB C 12 28.790 29.143 -0.353 1
1 71 . 16 1 1 A 12 12 CYS C C 12 173.137 173.751 -0.614 1
1 72 . 16 1 1 A 13 13 PHE N N 13 123.659 126.182 -2.523 1
1 73 . 16 1 1 A 13 13 PHE H H 13 8.796 8.945 -0.149 1
1 74 . 16 1 1 A 13 13 PHE CA C 13 57.405 57.927 -0.522 1
1 75 . 16 1 1 A 13 13 PHE HA H 13 4.636 4.865 -0.229 1
1 76 . 16 1 1 A 13 13 PHE CB C 13 39.505 38.565 0.940 1
1 89 . 16 1 1 A 13 13 PHE C C 13 174.193 174.958 -0.765 1
1 90 . 16 1 1 A 14 14 LYS N N 14 125.302 125.566 -0.264 1
1 91 . 16 1 1 A 14 14 LYS H H 14 8.659 8.959 -0.300 1
1 92 . 16 1 1 A 14 14 LYS CA C 14 55.196 54.649 0.547 1
1 93 . 16 1 1 A 14 14 LYS HA H 14 4.831 5.032 -0.201 1
1 94 . 16 1 1 A 14 14 LYS CB C 14 35.042 35.154 -0.112 1
1 105 . 16 1 1 A 14 14 LYS C C 14 175.026 176.407 -1.381 1
1 106 . 16 1 1 A 15 15 CYS N N 15 127.929 125.070 2.859 1
1 107 . 16 1 1 A 15 15 CYS H H 15 8.710 8.957 -0.247 1
1 108 . 16 1 1 A 15 15 CYS CA C 15 60.083 60.166 -0.083 1
1 109 . 16 1 1 A 15 15 CYS HA H 15 4.578 4.584 -0.006 1
1 110 . 16 1 1 A 15 15 CYS CB C 15 29.646 28.129 1.517 1
1 113 . 16 1 1 A 15 15 CYS C C 15 175.715 176.777 -1.062 1
1 114 . 16 1 1 A 16 16 ASN N N 16 126.460 123.064 3.396 1
1 115 . 16 1 1 A 16 16 ASN H H 16 9.033 8.859 0.174 1
1 116 . 16 1 1 A 16 16 ASN CA C 16 54.820 52.736 2.084 1
1 117 . 16 1 1 A 16 16 ASN HA H 16 4.728 4.812 -0.084 1
1 118 . 16 1 1 A 16 16 ASN CB C 16 38.681 37.859 0.822 1
1 124 . 16 1 1 A 16 16 ASN C C 16 176.123 174.679 1.444 1
1 125 . 16 1 1 A 17 17 LYS N N 17 121.823 117.232 4.591 1
1 126 . 16 1 1 A 17 17 LYS H H 17 9.444 7.861 1.583 1
1 127 . 16 1 1 A 17 17 LYS CA C 17 56.577 57.049 -0.472 1
1 128 . 16 1 1 A 17 17 LYS HA H 17 4.368 4.370 -0.002 1
1 129 . 16 1 1 A 17 17 LYS CB C 17 33.308 34.628 -1.320 1
1 141 . 16 1 1 A 17 17 LYS C C 17 176.102 177.818 -1.716 1
1 142 . 16 1 1 A 18 18 CYS N N 18 118.544 114.340 4.204 1
1 143 . 16 1 1 A 18 18 CYS H H 18 7.918 8.063 -0.145 1
1 144 . 16 1 1 A 18 18 CYS CA C 18 58.610 59.362 -0.752 1
1 145 . 16 1 1 A 18 18 CYS HA H 18 5.016 4.467 0.549 1
1 146 . 16 1 1 A 18 18 CYS CB C 18 30.648 29.306 1.342 1
1 149 . 16 1 1 A 18 18 CYS C C 18 173.625 174.992 -1.367 1
1 150 . 16 1 1 A 19 19 GLU N N 19 115.419 116.357 -0.938 1
1 151 . 16 1 1 A 19 19 GLU H H 19 8.498 7.996 0.502 1
1 152 . 16 1 1 A 19 19 GLU CA C 19 57.672 57.537 0.135 1
1 153 . 16 1 1 A 19 19 GLU HA H 19 4.229 4.187 0.042 1
1 154 . 16 1 1 A 19 19 GLU CB C 19 28.577 27.256 1.321 1
1 160 . 16 1 1 A 19 19 GLU C C 19 176.219 175.131 1.088 1
1 161 . 16 1 1 A 20 20 LYS N N 20 122.785 118.412 4.373 1
1 162 . 16 1 1 A 20 20 LYS H H 20 8.283 7.773 0.510 1
1 163 . 16 1 1 A 20 20 LYS CA C 20 58.127 55.044 3.083 1
1 164 . 16 1 1 A 20 20 LYS HA H 20 4.033 4.429 -0.396 1
1 165 . 16 1 1 A 20 20 LYS CB C 20 33.528 33.416 0.112 1
1 177 . 16 1 1 A 20 20 LYS C C 20 174.855 175.940 -1.085 1
1 178 . 16 1 1 A 21 21 THR N N 21 110.456 117.869 -7.413 1
1 179 . 16 1 1 A 21 21 THR H H 21 7.497 8.623 -1.126 1
1 180 . 16 1 1 A 21 21 THR CA C 21 59.617 62.199 -2.582 1
1 181 . 16 1 1 A 21 21 THR HA H 21 5.051 4.280 0.771 1
1 182 . 16 1 1 A 21 21 THR CB C 21 71.680 69.520 2.160 1
1 188 . 16 1 1 A 21 21 THR C C 21 173.142 174.237 -1.095 1
1 189 . 16 1 1 A 22 22 PHE N N 22 117.251 121.348 -4.097 1
1 190 . 16 1 1 A 22 22 PHE H H 22 8.746 8.691 0.055 1
1 191 . 16 1 1 A 22 22 PHE CA C 22 57.180 56.592 0.588 1
1 192 . 16 1 1 A 22 22 PHE HA H 22 4.963 4.963 0.000 1
1 193 . 16 1 1 A 22 22 PHE CB C 22 44.791 42.947 1.844 1
1 206 . 16 1 1 A 22 22 PHE C C 22 176.046 176.160 -0.114 1
1 207 . 16 1 1 A 23 23 SER CA C 23 59.336 60.580 -1.244 1
1 208 . 16 1 1 A 23 23 SER HA H 23 4.754 4.622 0.132 1
1 209 . 16 1 1 A 23 23 SER CB C 23 64.271 63.648 0.623 1
1 212 . 16 1 1 A 24 24 CYS N N 24 113.033 117.566 -4.533 1
1 213 . 16 1 1 A 24 24 CYS H H 24 7.330 8.409 -1.079 1
1 214 . 16 1 1 A 24 24 CYS CA C 24 56.095 58.096 -2.001 1
1 215 . 16 1 1 A 24 24 CYS HA H 24 4.482 5.078 -0.596 1
1 216 . 16 1 1 A 24 24 CYS CB C 24 30.326 31.349 -1.023 1
1 219 . 16 1 1 A 25 25 SER CA C 25 60.983 60.774 0.209 1
1 220 . 16 1 1 A 25 25 SER HA H 25 3.348 3.461 -0.113 1
1 221 . 16 1 1 A 25 25 SER CB C 25 62.224 62.008 0.216 1
1 224 . 16 1 1 A 26 26 LYS H H 26 8.166 8.038 0.128 1
1 225 . 16 1 1 A 26 26 LYS CA C 26 59.574 59.339 0.235 1
1 226 . 16 1 1 A 26 26 LYS HA H 26 3.971 3.822 0.149 1
1 227 . 16 1 1 A 26 26 LYS CB C 26 31.930 32.176 -0.246 1
1 239 . 16 1 1 A 26 26 LYS C C 26 178.526 178.355 0.171 1
1 240 . 16 1 1 A 27 27 TYR N N 27 117.062 118.918 -1.856 1
1 241 . 16 1 1 A 27 27 TYR H H 27 6.995 7.756 -0.761 1
1 242 . 16 1 1 A 27 27 TYR CA C 27 57.700 60.433 -2.733 1
1 243 . 16 1 1 A 27 27 TYR HA H 27 4.498 4.250 0.248 1
1 244 . 16 1 1 A 27 27 TYR CB C 27 36.779 38.113 -1.334 1
1 255 . 16 1 1 A 27 27 TYR C C 27 178.560 177.903 0.657 1
1 256 . 16 1 1 A 28 28 LEU N N 28 122.433 121.176 1.257 1
1 257 . 16 1 1 A 28 28 LEU H H 28 7.156 7.807 -0.651 1
1 258 . 16 1 1 A 28 28 LEU CA C 28 58.234 57.929 0.305 1
1 259 . 16 1 1 A 28 28 LEU HA H 28 3.396 3.167 0.229 1
1 260 . 16 1 1 A 28 28 LEU CB C 28 40.519 41.576 -1.057 1
1 273 . 16 1 1 A 28 28 LEU C C 28 177.446 178.379 -0.933 1
1 274 . 16 1 1 A 29 29 THR N N 29 115.799 113.862 1.937 1
1 275 . 16 1 1 A 29 29 THR H H 29 8.543 8.229 0.314 1
1 276 . 16 1 1 A 29 29 THR CA C 29 66.539 66.245 0.294 1
1 277 . 16 1 1 A 29 29 THR HA H 29 3.972 3.786 0.186 1
1 278 . 16 1 1 A 29 29 THR CB C 29 68.701 68.336 0.365 1
1 284 . 16 1 1 A 29 29 THR C C 29 177.042 176.769 0.273 1
1 285 . 16 1 1 A 30 30 GLN N N 30 118.831 121.065 -2.234 1
1 286 . 16 1 1 A 30 30 GLN H H 30 7.568 8.131 -0.563 1
1 287 . 16 1 1 A 30 30 GLN CA C 30 58.801 58.795 0.006 1
1 288 . 16 1 1 A 30 30 GLN HA H 30 3.971 3.805 0.166 1
1 289 . 16 1 1 A 30 30 GLN CB C 30 28.596 28.100 0.496 1
1 298 . 16 1 1 A 30 30 GLN C C 30 178.233 177.812 0.421 1
1 299 . 16 1 1 A 31 31 HIS N N 31 119.357 119.807 -0.450 1
1 300 . 16 1 1 A 31 31 HIS H H 31 7.565 8.001 -0.436 1
1 301 . 16 1 1 A 31 31 HIS CA C 31 59.086 59.688 -0.602 1
1 302 . 16 1 1 A 31 31 HIS HA H 31 4.227 4.188 0.039 1
1 303 . 16 1 1 A 31 31 HIS CB C 31 28.676 29.765 -1.089 1
1 310 . 16 1 1 A 31 31 HIS C C 31 176.294 176.509 -0.215 1
1 311 . 16 1 1 A 32 32 GLU N N 32 116.614 117.136 -0.522 1
1 312 . 16 1 1 A 32 32 GLU H H 32 8.508 8.820 -0.312 1
1 313 . 16 1 1 A 32 32 GLU CA C 32 60.064 59.923 0.141 1
1 314 . 16 1 1 A 32 32 GLU HA H 32 3.695 4.110 -0.415 1
1 315 . 16 1 1 A 32 32 GLU CB C 32 29.809 29.474 0.335 1
1 321 . 16 1 1 A 32 32 GLU C C 32 178.085 179.025 -0.940 1
1 322 . 16 1 1 A 33 33 ARG N N 33 116.851 119.500 -2.649 1
1 323 . 16 1 1 A 33 33 ARG H H 33 7.041 7.771 -0.730 1
1 324 . 16 1 1 A 33 33 ARG CA C 33 58.355 58.972 -0.617 1
1 325 . 16 1 1 A 33 33 ARG HA H 33 4.121 4.043 0.078 1
1 326 . 16 1 1 A 33 33 ARG CB C 33 30.200 29.881 0.319 1
1 335 . 16 1 1 A 33 33 ARG C C 33 178.487 178.819 -0.332 1
1 336 . 16 1 1 A 34 34 ILE N N 34 116.576 117.669 -1.093 1
1 337 . 16 1 1 A 34 34 ILE H H 34 7.947 8.072 -0.125 1
1 338 . 16 1 1 A 34 34 ILE CA C 34 63.154 63.607 -0.453 1
1 339 . 16 1 1 A 34 34 ILE HA H 34 3.952 3.720 0.232 1
1 340 . 16 1 1 A 34 34 ILE CB C 34 37.652 37.185 0.467 1
1 353 . 16 1 1 A 34 34 ILE C C 34 177.459 177.443 0.016 1
1 354 . 16 1 1 A 35 35 HIS N N 35 117.114 119.513 -2.399 1
1 355 . 16 1 1 A 35 35 HIS H H 35 7.243 7.193 0.050 1
1 356 . 16 1 1 A 35 35 HIS CA C 35 55.496 58.710 -3.214 1
1 357 . 16 1 1 A 35 35 HIS HA H 35 4.776 4.442 0.334 1
1 358 . 16 1 1 A 35 35 HIS CB C 35 28.583 31.084 -2.501 1
1 365 . 16 1 1 A 35 35 HIS C C 35 175.451 175.387 0.064 1
1 366 . 16 1 1 A 36 36 THR N N 36 112.873 109.336 3.537 1
1 367 . 16 1 1 A 36 36 THR H H 36 7.691 7.261 0.430 1
1 368 . 16 1 1 A 36 36 THR CA C 36 62.256 61.300 0.956 1
1 369 . 16 1 1 A 36 36 THR HA H 36 4.377 4.390 -0.013 1
1 370 . 16 1 1 A 36 36 THR CB C 36 69.760 69.009 0.751 1
1 376 . 16 1 1 A 36 36 THR C C 36 174.552 174.136 0.416 1
1 377 . 16 1 1 A 37 37 ARG N N 37 122.792 124.791 -1.999 1
1 378 . 16 1 1 A 37 37 ARG H H 37 8.176 8.799 -0.623 1
1 379 . 16 1 1 A 37 37 ARG CA C 37 56.728 54.664 2.064 1
1 380 . 16 1 1 A 37 37 ARG HA H 37 4.369 5.047 -0.678 1
1 381 . 16 1 1 A 37 37 ARG CB C 37 30.703 33.447 -2.744 1
1 390 . 16 1 1 A 37 37 ARG C C 37 176.742 175.338 1.404 1
1 391 . 16 1 1 A 38 38 GLY N N 38 110.024 108.760 1.264 1
1 392 . 16 1 1 A 38 38 GLY H H 38 8.396 8.929 -0.533 1
1 393 . 16 1 1 A 38 38 GLY CA C 38 45.327 44.218 1.109 1
1 394 . 16 1 1 A 38 38 GLY HA2 H 38 3.983 4.209 -0.226 1
1 395 . 16 1 1 A 38 38 GLY HA3 H 38 3.983 4.212 -0.229 1
1 396 . 16 1 1 A 38 38 GLY C C 38 174.010 173.544 0.466 1
1 397 . 16 1 1 A 39 39 VAL N N 39 119.355 118.345 1.010 1
1 398 . 16 1 1 A 39 39 VAL H H 39 7.972 8.251 -0.279 1
1 399 . 16 1 1 A 39 39 VAL CA C 39 62.275 62.261 0.014 1
1 400 . 16 1 1 A 39 39 VAL HA H 39 4.134 4.119 0.015 1
1 401 . 16 1 1 A 39 39 VAL CB C 39 32.877 32.653 0.224 1
1 411 . 16 1 1 A 39 39 VAL C C 39 176.275 176.961 -0.686 1
1 412 . 16 1 1 A 40 40 LYS N N 40 125.416 125.470 -0.054 1
1 413 . 16 1 1 A 40 40 LYS H H 40 8.482 8.712 -0.230 1
1 414 . 16 1 1 A 40 40 LYS CA C 40 56.257 60.094 -3.837 1
1 415 . 16 1 1 A 40 40 LYS HA H 40 4.392 4.039 0.353 1
1 416 . 16 1 1 A 40 40 LYS CB C 40 33.006 32.041 0.965 1
1 427 . 16 1 1 A 40 40 LYS C C 40 176.346 176.381 -0.035 1
1 428 . 16 1 1 A 41 41 SER N N 41 117.710 110.850 6.860 1
1 429 . 16 1 1 A 41 41 SER H H 41 8.326 7.648 0.678 1
1 430 . 16 1 1 A 41 41 SER CA C 41 58.775 57.568 1.207 1
1 431 . 16 1 1 A 41 41 SER HA H 41 4.491 4.495 -0.004 1
1 432 . 16 1 1 A 41 41 SER CB C 41 63.841 64.019 -0.178 1
1 435 . 16 1 1 A 41 41 SER C C 41 173.882 174.833 -0.951 1
1 436 . 16 1 1 A 42 42 GLY N N 42 116.832 108.542 8.290 1
1 437 . 16 1 1 A 42 42 GLY H H 42 8.057 8.585 -0.528 1
1 438 . 16 1 1 A 42 42 GLY CA C 42 44.640 45.233 -0.593 1
1 439 . 16 1 1 A 42 42 GLY HA2 H 42 4.144 4.007 0.137 1
1 440 . 16 1 1 A 42 42 GLY HA3 H 42 4.144 4.007 0.137 1
1 441 . 16 1 1 A 42 42 GLY C C 42 178.957 173.286 5.671 1
1 442 . 16 1 1 A 43 43 PRO CA C 43 63.377 62.813 0.564 1
1 443 . 16 1 1 A 43 43 PRO HA H 43 4.491 4.760 -0.269 1
1 444 . 16 1 1 A 43 43 PRO CB C 43 32.201 32.438 -0.237 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.660 46.673 -1.013 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.931 3.834 0.097 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.931 3.834 0.097 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.138 174.672 -0.534 1
1 5 . 17 1 1 A 8 8 GLN N N 8 119.891 119.547 0.344 1
1 6 . 17 1 1 A 8 8 GLN H H 8 8.206 7.666 0.540 1
1 7 . 17 1 1 A 8 8 GLN CA C 8 55.820 55.804 0.016 1
1 8 . 17 1 1 A 8 8 GLN HA H 8 4.341 4.314 0.027 1
1 9 . 17 1 1 A 8 8 GLN CB C 8 29.497 29.627 -0.130 1
1 18 . 17 1 1 A 8 8 GLN C C 8 176.071 175.688 0.383 1
1 19 . 17 1 1 A 9 9 LYS N N 9 122.781 124.314 -1.533 1
1 20 . 17 1 1 A 9 9 LYS H H 9 8.408 8.457 -0.049 1
1 21 . 17 1 1 A 9 9 LYS CA C 9 56.490 54.845 1.645 1
1 22 . 17 1 1 A 9 9 LYS HA H 9 4.292 4.513 -0.221 1
1 23 . 17 1 1 A 9 9 LYS CB C 9 33.055 31.488 1.567 1
1 35 . 17 1 1 A 9 9 LYS C C 9 176.568 175.296 1.272 1
1 36 . 17 1 1 A 10 10 GLU N N 10 121.884 124.244 -2.360 1
1 37 . 17 1 1 A 10 10 GLU H H 10 8.435 8.009 0.426 1
1 38 . 17 1 1 A 10 10 GLU CA C 10 56.644 56.669 -0.025 1
1 39 . 17 1 1 A 10 10 GLU HA H 10 4.239 4.440 -0.201 1
1 40 . 17 1 1 A 10 10 GLU CB C 10 30.349 30.153 0.196 1
1 46 . 17 1 1 A 10 10 GLU C C 10 176.223 175.750 0.473 1
1 47 . 17 1 1 A 11 11 LYS N N 11 122.536 125.915 -3.379 1
1 48 . 17 1 1 A 11 11 LYS H H 11 8.406 8.704 -0.298 1
1 49 . 17 1 1 A 11 11 LYS CA C 11 56.095 54.706 1.389 1
1 50 . 17 1 1 A 11 11 LYS HA H 11 4.235 4.855 -0.620 1
1 51 . 17 1 1 A 11 11 LYS CB C 11 32.883 34.301 -1.418 1
1 63 . 17 1 1 A 11 11 LYS C C 11 175.448 175.094 0.354 1
1 64 . 17 1 1 A 12 12 CYS N N 12 119.041 123.194 -4.153 1
1 65 . 17 1 1 A 12 12 CYS H H 12 7.970 8.561 -0.591 1
1 66 . 17 1 1 A 12 12 CYS CA C 12 57.850 56.729 1.121 1
1 67 . 17 1 1 A 12 12 CYS HA H 12 4.523 5.265 -0.742 1
1 68 . 17 1 1 A 12 12 CYS CB C 12 28.790 31.041 -2.251 1
1 71 . 17 1 1 A 12 12 CYS C C 12 173.137 172.941 0.196 1
1 72 . 17 1 1 A 13 13 PHE N N 13 123.659 122.011 1.648 1
1 73 . 17 1 1 A 13 13 PHE H H 13 8.796 9.146 -0.350 1
1 74 . 17 1 1 A 13 13 PHE CA C 13 57.405 56.465 0.940 1
1 75 . 17 1 1 A 13 13 PHE HA H 13 4.636 5.143 -0.507 1
1 76 . 17 1 1 A 13 13 PHE CB C 13 39.505 40.732 -1.227 1
1 89 . 17 1 1 A 13 13 PHE C C 13 174.193 174.324 -0.131 1
1 90 . 17 1 1 A 14 14 LYS N N 14 125.302 125.722 -0.420 1
1 91 . 17 1 1 A 14 14 LYS H H 14 8.659 8.984 -0.325 1
1 92 . 17 1 1 A 14 14 LYS CA C 14 55.196 54.657 0.539 1
1 93 . 17 1 1 A 14 14 LYS HA H 14 4.831 5.243 -0.412 1
1 94 . 17 1 1 A 14 14 LYS CB C 14 35.042 35.182 -0.140 1
1 105 . 17 1 1 A 14 14 LYS C C 14 175.026 176.386 -1.360 1
1 106 . 17 1 1 A 15 15 CYS N N 15 127.929 125.305 2.624 1
1 107 . 17 1 1 A 15 15 CYS H H 15 8.710 8.812 -0.102 1
1 108 . 17 1 1 A 15 15 CYS CA C 15 60.083 59.466 0.617 1
1 109 . 17 1 1 A 15 15 CYS HA H 15 4.578 4.603 -0.025 1
1 110 . 17 1 1 A 15 15 CYS CB C 15 29.646 28.817 0.829 1
1 113 . 17 1 1 A 15 15 CYS C C 15 175.715 174.716 0.999 1
1 114 . 17 1 1 A 16 16 ASN N N 16 126.460 122.514 3.946 1
1 115 . 17 1 1 A 16 16 ASN H H 16 9.033 8.863 0.170 1
1 116 . 17 1 1 A 16 16 ASN CA C 16 54.820 54.522 0.298 1
1 117 . 17 1 1 A 16 16 ASN HA H 16 4.728 4.936 -0.208 1
1 118 . 17 1 1 A 16 16 ASN CB C 16 38.681 39.581 -0.900 1
1 124 . 17 1 1 A 16 16 ASN C C 16 176.123 177.101 -0.978 1
1 125 . 17 1 1 A 17 17 LYS N N 17 121.823 118.361 3.462 1
1 126 . 17 1 1 A 17 17 LYS H H 17 9.444 8.042 1.402 1
1 127 . 17 1 1 A 17 17 LYS CA C 17 56.577 59.305 -2.728 1
1 128 . 17 1 1 A 17 17 LYS HA H 17 4.368 3.862 0.506 1
1 129 . 17 1 1 A 17 17 LYS CB C 17 33.308 31.852 1.456 1
1 141 . 17 1 1 A 17 17 LYS C C 17 176.102 179.138 -3.036 1
1 142 . 17 1 1 A 18 18 CYS N N 18 118.544 115.510 3.034 1
1 143 . 17 1 1 A 18 18 CYS H H 18 7.918 7.717 0.201 1
1 144 . 17 1 1 A 18 18 CYS CA C 18 58.610 60.424 -1.814 1
1 145 . 17 1 1 A 18 18 CYS HA H 18 5.016 4.419 0.597 1
1 146 . 17 1 1 A 18 18 CYS CB C 18 30.648 28.967 1.681 1
1 149 . 17 1 1 A 18 18 CYS C C 18 173.625 175.120 -1.495 1
1 150 . 17 1 1 A 19 19 GLU N N 19 115.419 116.473 -1.054 1
1 151 . 17 1 1 A 19 19 GLU H H 19 8.498 7.984 0.514 1
1 152 . 17 1 1 A 19 19 GLU CA C 19 57.672 57.624 0.048 1
1 153 . 17 1 1 A 19 19 GLU HA H 19 4.229 4.260 -0.031 1
1 154 . 17 1 1 A 19 19 GLU CB C 19 28.577 27.195 1.382 1
1 160 . 17 1 1 A 19 19 GLU C C 19 176.219 175.134 1.085 1
1 161 . 17 1 1 A 20 20 LYS N N 20 122.785 118.621 4.164 1
1 162 . 17 1 1 A 20 20 LYS H H 20 8.283 7.351 0.932 1
1 163 . 17 1 1 A 20 20 LYS CA C 20 58.127 55.263 2.864 1
1 164 . 17 1 1 A 20 20 LYS HA H 20 4.033 4.543 -0.510 1
1 165 . 17 1 1 A 20 20 LYS CB C 20 33.528 33.249 0.279 1
1 177 . 17 1 1 A 20 20 LYS C C 20 174.855 176.560 -1.705 1
1 178 . 17 1 1 A 21 21 THR N N 21 110.456 115.604 -5.148 1
1 179 . 17 1 1 A 21 21 THR H H 21 7.497 8.528 -1.031 1
1 180 . 17 1 1 A 21 21 THR CA C 21 59.617 61.715 -2.098 1
1 181 . 17 1 1 A 21 21 THR HA H 21 5.051 4.580 0.471 1
1 182 . 17 1 1 A 21 21 THR CB C 21 71.680 69.807 1.873 1
1 188 . 17 1 1 A 21 21 THR C C 21 173.142 174.189 -1.047 1
1 189 . 17 1 1 A 22 22 PHE N N 22 117.251 120.787 -3.536 1
1 190 . 17 1 1 A 22 22 PHE H H 22 8.746 8.828 -0.082 1
1 191 . 17 1 1 A 22 22 PHE CA C 22 57.180 56.375 0.805 1
1 192 . 17 1 1 A 22 22 PHE HA H 22 4.963 5.031 -0.068 1
1 193 . 17 1 1 A 22 22 PHE CB C 22 44.791 43.127 1.664 1
1 206 . 17 1 1 A 22 22 PHE C C 22 176.046 175.945 0.101 1
1 207 . 17 1 1 A 23 23 SER CA C 23 59.336 58.799 0.537 1
1 208 . 17 1 1 A 23 23 SER HA H 23 4.754 4.730 0.024 1
1 209 . 17 1 1 A 23 23 SER CB C 23 64.271 64.159 0.112 1
1 212 . 17 1 1 A 24 24 CYS N N 24 113.033 119.264 -6.231 1
1 213 . 17 1 1 A 24 24 CYS H H 24 7.330 8.208 -0.878 1
1 214 . 17 1 1 A 24 24 CYS CA C 24 56.095 57.734 -1.639 1
1 215 . 17 1 1 A 24 24 CYS HA H 24 4.482 5.109 -0.627 1
1 216 . 17 1 1 A 24 24 CYS CB C 24 30.326 32.645 -2.319 1
1 219 . 17 1 1 A 25 25 SER CA C 25 60.983 60.991 -0.008 1
1 220 . 17 1 1 A 25 25 SER HA H 25 3.348 3.646 -0.298 1
1 221 . 17 1 1 A 25 25 SER CB C 25 62.224 62.942 -0.718 1
1 224 . 17 1 1 A 26 26 LYS H H 26 8.166 7.909 0.257 1
1 225 . 17 1 1 A 26 26 LYS CA C 26 59.574 58.898 0.676 1
1 226 . 17 1 1 A 26 26 LYS HA H 26 3.971 3.940 0.031 1
1 227 . 17 1 1 A 26 26 LYS CB C 26 31.930 31.850 0.080 1
1 239 . 17 1 1 A 26 26 LYS C C 26 178.526 178.350 0.176 1
1 240 . 17 1 1 A 27 27 TYR N N 27 117.062 119.460 -2.398 1
1 241 . 17 1 1 A 27 27 TYR H H 27 6.995 7.786 -0.791 1
1 242 . 17 1 1 A 27 27 TYR CA C 27 57.700 60.446 -2.746 1
1 243 . 17 1 1 A 27 27 TYR HA H 27 4.498 4.239 0.259 1
1 244 . 17 1 1 A 27 27 TYR CB C 27 36.779 38.093 -1.314 1
1 255 . 17 1 1 A 27 27 TYR C C 27 178.560 177.937 0.623 1
1 256 . 17 1 1 A 28 28 LEU N N 28 122.433 120.939 1.494 1
1 257 . 17 1 1 A 28 28 LEU H H 28 7.156 7.804 -0.648 1
1 258 . 17 1 1 A 28 28 LEU CA C 28 58.234 57.669 0.565 1
1 259 . 17 1 1 A 28 28 LEU HA H 28 3.396 3.065 0.331 1
1 260 . 17 1 1 A 28 28 LEU CB C 28 40.519 41.162 -0.643 1
1 273 . 17 1 1 A 28 28 LEU C C 28 177.446 178.455 -1.009 1
1 274 . 17 1 1 A 29 29 THR N N 29 115.799 114.081 1.718 1
1 275 . 17 1 1 A 29 29 THR H H 29 8.543 8.268 0.275 1
1 276 . 17 1 1 A 29 29 THR CA C 29 66.539 66.259 0.280 1
1 277 . 17 1 1 A 29 29 THR HA H 29 3.972 3.721 0.251 1
1 278 . 17 1 1 A 29 29 THR CB C 29 68.701 68.407 0.294 1
1 284 . 17 1 1 A 29 29 THR C C 29 177.042 176.626 0.416 1
1 285 . 17 1 1 A 30 30 GLN N N 30 118.831 120.996 -2.165 1
1 286 . 17 1 1 A 30 30 GLN H H 30 7.568 7.895 -0.327 1
1 287 . 17 1 1 A 30 30 GLN CA C 30 58.801 58.792 0.009 1
1 288 . 17 1 1 A 30 30 GLN HA H 30 3.971 3.880 0.091 1
1 289 . 17 1 1 A 30 30 GLN CB C 30 28.596 28.550 0.046 1
1 298 . 17 1 1 A 30 30 GLN C C 30 178.233 177.642 0.591 1
1 299 . 17 1 1 A 31 31 HIS N N 31 119.357 119.947 -0.590 1
1 300 . 17 1 1 A 31 31 HIS H H 31 7.565 7.930 -0.365 1
1 301 . 17 1 1 A 31 31 HIS CA C 31 59.086 59.777 -0.691 1
1 302 . 17 1 1 A 31 31 HIS HA H 31 4.227 4.157 0.070 1
1 303 . 17 1 1 A 31 31 HIS CB C 31 28.676 29.833 -1.157 1
1 310 . 17 1 1 A 31 31 HIS C C 31 176.294 176.490 -0.196 1
1 311 . 17 1 1 A 32 32 GLU N N 32 116.614 117.148 -0.534 1
1 312 . 17 1 1 A 32 32 GLU H H 32 8.508 8.846 -0.338 1
1 313 . 17 1 1 A 32 32 GLU CA C 32 60.064 59.816 0.248 1
1 314 . 17 1 1 A 32 32 GLU HA H 32 3.695 4.038 -0.343 1
1 315 . 17 1 1 A 32 32 GLU CB C 32 29.809 29.483 0.326 1
1 321 . 17 1 1 A 32 32 GLU C C 32 178.085 179.153 -1.068 1
1 322 . 17 1 1 A 33 33 ARG N N 33 116.851 119.504 -2.653 1
1 323 . 17 1 1 A 33 33 ARG H H 33 7.041 8.030 -0.989 1
1 324 . 17 1 1 A 33 33 ARG CA C 33 58.355 59.031 -0.676 1
1 325 . 17 1 1 A 33 33 ARG HA H 33 4.121 4.151 -0.030 1
1 326 . 17 1 1 A 33 33 ARG CB C 33 30.200 29.872 0.328 1
1 335 . 17 1 1 A 33 33 ARG C C 33 178.487 178.525 -0.038 1
1 336 . 17 1 1 A 34 34 ILE N N 34 116.576 117.681 -1.105 1
1 337 . 17 1 1 A 34 34 ILE H H 34 7.947 8.115 -0.168 1
1 338 . 17 1 1 A 34 34 ILE CA C 34 63.154 63.742 -0.588 1
1 339 . 17 1 1 A 34 34 ILE HA H 34 3.952 3.738 0.214 1
1 340 . 17 1 1 A 34 34 ILE CB C 34 37.652 37.182 0.470 1
1 353 . 17 1 1 A 34 34 ILE C C 34 177.459 177.413 0.046 1
1 354 . 17 1 1 A 35 35 HIS N N 35 117.114 119.508 -2.394 1
1 355 . 17 1 1 A 35 35 HIS H H 35 7.243 7.554 -0.311 1
1 356 . 17 1 1 A 35 35 HIS CA C 35 55.496 58.725 -3.229 1
1 357 . 17 1 1 A 35 35 HIS HA H 35 4.776 4.440 0.336 1
1 358 . 17 1 1 A 35 35 HIS CB C 35 28.583 30.982 -2.399 1
1 365 . 17 1 1 A 35 35 HIS C C 35 175.451 175.483 -0.032 1
1 366 . 17 1 1 A 36 36 THR N N 36 112.873 110.597 2.276 1
1 367 . 17 1 1 A 36 36 THR H H 36 7.691 7.355 0.336 1
1 368 . 17 1 1 A 36 36 THR CA C 36 62.256 61.641 0.615 1
1 369 . 17 1 1 A 36 36 THR HA H 36 4.377 4.229 0.148 1
1 370 . 17 1 1 A 36 36 THR CB C 36 69.760 68.725 1.035 1
1 376 . 17 1 1 A 36 36 THR C C 36 174.552 174.927 -0.375 1
1 377 . 17 1 1 A 37 37 ARG N N 37 122.792 126.709 -3.917 1
1 378 . 17 1 1 A 37 37 ARG H H 37 8.176 8.959 -0.783 1
1 379 . 17 1 1 A 37 37 ARG CA C 37 56.728 58.844 -2.116 1
1 380 . 17 1 1 A 37 37 ARG HA H 37 4.369 4.002 0.367 1
1 381 . 17 1 1 A 37 37 ARG CB C 37 30.703 30.421 0.282 1
1 390 . 17 1 1 A 37 37 ARG C C 37 176.742 176.883 -0.141 1
1 391 . 17 1 1 A 38 38 GLY N N 38 110.024 104.155 5.869 1
1 392 . 17 1 1 A 38 38 GLY H H 38 8.396 7.451 0.945 1
1 393 . 17 1 1 A 38 38 GLY CA C 38 45.327 46.138 -0.811 1
1 394 . 17 1 1 A 38 38 GLY HA2 H 38 3.983 4.091 -0.108 1
1 395 . 17 1 1 A 38 38 GLY HA3 H 38 3.983 4.092 -0.109 1
1 396 . 17 1 1 A 38 38 GLY C C 38 174.010 173.841 0.169 1
1 397 . 17 1 1 A 39 39 VAL N N 39 119.355 123.724 -4.369 1
1 398 . 17 1 1 A 39 39 VAL H H 39 7.972 8.768 -0.796 1
1 399 . 17 1 1 A 39 39 VAL CA C 39 62.275 63.822 -1.547 1
1 400 . 17 1 1 A 39 39 VAL HA H 39 4.134 4.041 0.093 1
1 401 . 17 1 1 A 39 39 VAL CB C 39 32.877 32.274 0.603 1
1 411 . 17 1 1 A 39 39 VAL C C 39 176.275 175.804 0.471 1
1 412 . 17 1 1 A 40 40 LYS N N 40 125.416 121.651 3.765 1
1 413 . 17 1 1 A 40 40 LYS H H 40 8.482 7.522 0.960 1
1 414 . 17 1 1 A 40 40 LYS CA C 40 56.257 56.128 0.129 1
1 415 . 17 1 1 A 40 40 LYS HA H 40 4.392 4.649 -0.257 1
1 416 . 17 1 1 A 40 40 LYS CB C 40 33.006 35.341 -2.335 1
1 427 . 17 1 1 A 40 40 LYS C C 40 176.346 174.418 1.928 1
1 428 . 17 1 1 A 41 41 SER N N 41 117.710 121.651 -3.941 1
1 429 . 17 1 1 A 41 41 SER H H 41 8.326 8.718 -0.392 1
1 430 . 17 1 1 A 41 41 SER CA C 41 58.775 57.498 1.277 1
1 431 . 17 1 1 A 41 41 SER HA H 41 4.491 5.332 -0.841 1
1 432 . 17 1 1 A 41 41 SER CB C 41 63.841 66.251 -2.410 1
1 435 . 17 1 1 A 41 41 SER C C 41 173.882 172.957 0.925 1
1 436 . 17 1 1 A 42 42 GLY N N 42 116.832 111.191 5.641 1
1 437 . 17 1 1 A 42 42 GLY H H 42 8.057 8.644 -0.587 1
1 438 . 17 1 1 A 42 42 GLY CA C 42 44.640 44.994 -0.354 1
1 439 . 17 1 1 A 42 42 GLY HA2 H 42 4.144 4.222 -0.078 1
1 440 . 17 1 1 A 42 42 GLY HA3 H 42 4.144 4.224 -0.080 1
1 441 . 17 1 1 A 42 42 GLY C C 42 178.957 171.925 7.032 1
1 442 . 17 1 1 A 43 43 PRO CA C 43 63.377 62.811 0.566 1
1 443 . 17 1 1 A 43 43 PRO HA H 43 4.491 4.730 -0.239 1
1 444 . 17 1 1 A 43 43 PRO CB C 43 32.201 32.964 -0.763 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.660 44.689 0.971 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.931 4.131 -0.200 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.931 4.133 -0.202 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.138 172.487 1.651 1
1 5 . 18 1 1 A 8 8 GLN N N 8 119.891 120.171 -0.280 1
1 6 . 18 1 1 A 8 8 GLN H H 8 8.206 8.337 -0.131 1
1 7 . 18 1 1 A 8 8 GLN CA C 8 55.820 55.544 0.276 1
1 8 . 18 1 1 A 8 8 GLN HA H 8 4.341 4.584 -0.243 1
1 9 . 18 1 1 A 8 8 GLN CB C 8 29.497 29.907 -0.410 1
1 18 . 18 1 1 A 8 8 GLN C C 8 176.071 175.471 0.600 1
1 19 . 18 1 1 A 9 9 LYS N N 9 122.781 122.283 0.498 1
1 20 . 18 1 1 A 9 9 LYS H H 9 8.408 8.909 -0.501 1
1 21 . 18 1 1 A 9 9 LYS CA C 9 56.490 54.964 1.526 1
1 22 . 18 1 1 A 9 9 LYS HA H 9 4.292 5.007 -0.715 1
1 23 . 18 1 1 A 9 9 LYS CB C 9 33.055 34.989 -1.934 1
1 35 . 18 1 1 A 9 9 LYS C C 9 176.568 174.812 1.756 1
1 36 . 18 1 1 A 10 10 GLU N N 10 121.884 122.433 -0.549 1
1 37 . 18 1 1 A 10 10 GLU H H 10 8.435 9.028 -0.593 1
1 38 . 18 1 1 A 10 10 GLU CA C 10 56.644 55.116 1.528 1
1 39 . 18 1 1 A 10 10 GLU HA H 10 4.239 4.613 -0.374 1
1 40 . 18 1 1 A 10 10 GLU CB C 10 30.349 30.038 0.311 1
1 46 . 18 1 1 A 10 10 GLU C C 10 176.223 175.117 1.106 1
1 47 . 18 1 1 A 11 11 LYS N N 11 122.536 128.624 -6.088 1
1 48 . 18 1 1 A 11 11 LYS H H 11 8.406 8.666 -0.260 1
1 49 . 18 1 1 A 11 11 LYS CA C 11 56.095 56.376 -0.281 1
1 50 . 18 1 1 A 11 11 LYS HA H 11 4.235 4.330 -0.095 1
1 51 . 18 1 1 A 11 11 LYS CB C 11 32.883 32.333 0.550 1
1 63 . 18 1 1 A 11 11 LYS C C 11 175.448 175.489 -0.041 1
1 64 . 18 1 1 A 12 12 CYS N N 12 119.041 124.296 -5.255 1
1 65 . 18 1 1 A 12 12 CYS H H 12 7.970 8.137 -0.167 1
1 66 . 18 1 1 A 12 12 CYS CA C 12 57.850 56.390 1.460 1
1 67 . 18 1 1 A 12 12 CYS HA H 12 4.523 5.151 -0.628 1
1 68 . 18 1 1 A 12 12 CYS CB C 12 28.790 31.194 -2.404 1
1 71 . 18 1 1 A 12 12 CYS C C 12 173.137 173.219 -0.082 1
1 72 . 18 1 1 A 13 13 PHE N N 13 123.659 121.106 2.553 1
1 73 . 18 1 1 A 13 13 PHE H H 13 8.796 8.805 -0.009 1
1 74 . 18 1 1 A 13 13 PHE CA C 13 57.405 56.556 0.849 1
1 75 . 18 1 1 A 13 13 PHE HA H 13 4.636 5.272 -0.636 1
1 76 . 18 1 1 A 13 13 PHE CB C 13 39.505 41.653 -2.148 1
1 89 . 18 1 1 A 13 13 PHE C C 13 174.193 174.065 0.128 1
1 90 . 18 1 1 A 14 14 LYS N N 14 125.302 123.936 1.366 1
1 91 . 18 1 1 A 14 14 LYS H H 14 8.659 9.272 -0.613 1
1 92 . 18 1 1 A 14 14 LYS CA C 14 55.196 54.481 0.715 1
1 93 . 18 1 1 A 14 14 LYS HA H 14 4.831 5.135 -0.304 1
1 94 . 18 1 1 A 14 14 LYS CB C 14 35.042 36.327 -1.285 1
1 105 . 18 1 1 A 14 14 LYS C C 14 175.026 175.546 -0.520 1
1 106 . 18 1 1 A 15 15 CYS N N 15 127.929 125.124 2.805 1
1 107 . 18 1 1 A 15 15 CYS H H 15 8.710 9.079 -0.369 1
1 108 . 18 1 1 A 15 15 CYS CA C 15 60.083 59.533 0.550 1
1 109 . 18 1 1 A 15 15 CYS HA H 15 4.578 4.586 -0.008 1
1 110 . 18 1 1 A 15 15 CYS CB C 15 29.646 28.549 1.097 1
1 113 . 18 1 1 A 15 15 CYS C C 15 175.715 175.975 -0.260 1
1 114 . 18 1 1 A 16 16 ASN N N 16 126.460 126.468 -0.008 1
1 115 . 18 1 1 A 16 16 ASN H H 16 9.033 9.105 -0.072 1
1 116 . 18 1 1 A 16 16 ASN CA C 16 54.820 53.180 1.640 1
1 117 . 18 1 1 A 16 16 ASN HA H 16 4.728 4.951 -0.223 1
1 118 . 18 1 1 A 16 16 ASN CB C 16 38.681 39.160 -0.479 1
1 124 . 18 1 1 A 16 16 ASN C C 16 176.123 175.730 0.393 1
1 125 . 18 1 1 A 17 17 LYS N N 17 121.823 117.831 3.992 1
1 126 . 18 1 1 A 17 17 LYS H H 17 9.444 7.797 1.647 1
1 127 . 18 1 1 A 17 17 LYS CA C 17 56.577 56.736 -0.159 1
1 128 . 18 1 1 A 17 17 LYS HA H 17 4.368 4.367 0.001 1
1 129 . 18 1 1 A 17 17 LYS CB C 17 33.308 34.766 -1.458 1
1 141 . 18 1 1 A 17 17 LYS C C 17 176.102 177.688 -1.586 1
1 142 . 18 1 1 A 18 18 CYS N N 18 118.544 114.658 3.886 1
1 143 . 18 1 1 A 18 18 CYS H H 18 7.918 8.034 -0.116 1
1 144 . 18 1 1 A 18 18 CYS CA C 18 58.610 59.182 -0.572 1
1 145 . 18 1 1 A 18 18 CYS HA H 18 5.016 4.575 0.441 1
1 146 . 18 1 1 A 18 18 CYS CB C 18 30.648 30.037 0.611 1
1 149 . 18 1 1 A 18 18 CYS C C 18 173.625 175.167 -1.542 1
1 150 . 18 1 1 A 19 19 GLU N N 19 115.419 116.364 -0.945 1
1 151 . 18 1 1 A 19 19 GLU H H 19 8.498 7.639 0.859 1
1 152 . 18 1 1 A 19 19 GLU CA C 19 57.672 57.524 0.148 1
1 153 . 18 1 1 A 19 19 GLU HA H 19 4.229 4.084 0.145 1
1 154 . 18 1 1 A 19 19 GLU CB C 19 28.577 27.248 1.329 1
1 160 . 18 1 1 A 19 19 GLU C C 19 176.219 175.011 1.208 1
1 161 . 18 1 1 A 20 20 LYS N N 20 122.785 118.233 4.552 1
1 162 . 18 1 1 A 20 20 LYS H H 20 8.283 7.659 0.624 1
1 163 . 18 1 1 A 20 20 LYS CA C 20 58.127 54.896 3.231 1
1 164 . 18 1 1 A 20 20 LYS HA H 20 4.033 4.486 -0.453 1
1 165 . 18 1 1 A 20 20 LYS CB C 20 33.528 33.663 -0.135 1
1 177 . 18 1 1 A 20 20 LYS C C 20 174.855 176.056 -1.201 1
1 178 . 18 1 1 A 21 21 THR N N 21 110.456 118.310 -7.854 1
1 179 . 18 1 1 A 21 21 THR H H 21 7.497 8.613 -1.116 1
1 180 . 18 1 1 A 21 21 THR CA C 21 59.617 61.999 -2.382 1
1 181 . 18 1 1 A 21 21 THR HA H 21 5.051 4.311 0.740 1
1 182 . 18 1 1 A 21 21 THR CB C 21 71.680 69.709 1.971 1
1 188 . 18 1 1 A 21 21 THR C C 21 173.142 174.290 -1.148 1
1 189 . 18 1 1 A 22 22 PHE N N 22 117.251 120.164 -2.913 1
1 190 . 18 1 1 A 22 22 PHE H H 22 8.746 8.583 0.163 1
1 191 . 18 1 1 A 22 22 PHE CA C 22 57.180 56.511 0.669 1
1 192 . 18 1 1 A 22 22 PHE HA H 22 4.963 4.897 0.066 1
1 193 . 18 1 1 A 22 22 PHE CB C 22 44.791 43.148 1.643 1
1 206 . 18 1 1 A 22 22 PHE C C 22 176.046 176.164 -0.118 1
1 207 . 18 1 1 A 23 23 SER CA C 23 59.336 60.662 -1.326 1
1 208 . 18 1 1 A 23 23 SER HA H 23 4.754 4.527 0.227 1
1 209 . 18 1 1 A 23 23 SER CB C 23 64.271 63.431 0.840 1
1 212 . 18 1 1 A 24 24 CYS N N 24 113.033 119.327 -6.294 1
1 213 . 18 1 1 A 24 24 CYS H H 24 7.330 8.210 -0.880 1
1 214 . 18 1 1 A 24 24 CYS CA C 24 56.095 57.923 -1.828 1
1 215 . 18 1 1 A 24 24 CYS HA H 24 4.482 5.067 -0.585 1
1 216 . 18 1 1 A 24 24 CYS CB C 24 30.326 31.135 -0.809 1
1 219 . 18 1 1 A 25 25 SER CA C 25 60.983 60.689 0.294 1
1 220 . 18 1 1 A 25 25 SER HA H 25 3.348 3.418 -0.070 1
1 221 . 18 1 1 A 25 25 SER CB C 25 62.224 62.219 0.005 1
1 224 . 18 1 1 A 26 26 LYS H H 26 8.166 7.878 0.288 1
1 225 . 18 1 1 A 26 26 LYS CA C 26 59.574 58.719 0.855 1
1 226 . 18 1 1 A 26 26 LYS HA H 26 3.971 3.947 0.024 1
1 227 . 18 1 1 A 26 26 LYS CB C 26 31.930 31.673 0.257 1
1 239 . 18 1 1 A 26 26 LYS C C 26 178.526 177.952 0.574 1
1 240 . 18 1 1 A 27 27 TYR N N 27 117.062 119.493 -2.431 1
1 241 . 18 1 1 A 27 27 TYR H H 27 6.995 7.827 -0.832 1
1 242 . 18 1 1 A 27 27 TYR CA C 27 57.700 60.665 -2.965 1
1 243 . 18 1 1 A 27 27 TYR HA H 27 4.498 4.207 0.291 1
1 244 . 18 1 1 A 27 27 TYR CB C 27 36.779 37.972 -1.193 1
1 255 . 18 1 1 A 27 27 TYR C C 27 178.560 177.971 0.589 1
1 256 . 18 1 1 A 28 28 LEU N N 28 122.433 120.974 1.459 1
1 257 . 18 1 1 A 28 28 LEU H H 28 7.156 7.833 -0.677 1
1 258 . 18 1 1 A 28 28 LEU CA C 28 58.234 57.536 0.698 1
1 259 . 18 1 1 A 28 28 LEU HA H 28 3.396 3.370 0.026 1
1 260 . 18 1 1 A 28 28 LEU CB C 28 40.519 41.337 -0.818 1
1 273 . 18 1 1 A 28 28 LEU C C 28 177.446 178.493 -1.047 1
1 274 . 18 1 1 A 29 29 THR N N 29 115.799 114.444 1.355 1
1 275 . 18 1 1 A 29 29 THR H H 29 8.543 8.268 0.275 1
1 276 . 18 1 1 A 29 29 THR CA C 29 66.539 66.019 0.520 1
1 277 . 18 1 1 A 29 29 THR HA H 29 3.972 3.735 0.237 1
1 278 . 18 1 1 A 29 29 THR CB C 29 68.701 68.406 0.295 1
1 284 . 18 1 1 A 29 29 THR C C 29 177.042 176.314 0.728 1
1 285 . 18 1 1 A 30 30 GLN N N 30 118.831 120.997 -2.166 1
1 286 . 18 1 1 A 30 30 GLN H H 30 7.568 7.960 -0.392 1
1 287 . 18 1 1 A 30 30 GLN CA C 30 58.801 58.945 -0.144 1
1 288 . 18 1 1 A 30 30 GLN HA H 30 3.971 3.836 0.135 1
1 289 . 18 1 1 A 30 30 GLN CB C 30 28.596 28.249 0.347 1
1 298 . 18 1 1 A 30 30 GLN C C 30 178.233 177.706 0.527 1
1 299 . 18 1 1 A 31 31 HIS N N 31 119.357 119.818 -0.461 1
1 300 . 18 1 1 A 31 31 HIS H H 31 7.565 7.915 -0.350 1
1 301 . 18 1 1 A 31 31 HIS CA C 31 59.086 59.732 -0.646 1
1 302 . 18 1 1 A 31 31 HIS HA H 31 4.227 4.159 0.068 1
1 303 . 18 1 1 A 31 31 HIS CB C 31 28.676 29.632 -0.956 1
1 310 . 18 1 1 A 31 31 HIS C C 31 176.294 176.479 -0.185 1
1 311 . 18 1 1 A 32 32 GLU N N 32 116.614 117.157 -0.543 1
1 312 . 18 1 1 A 32 32 GLU H H 32 8.508 8.813 -0.305 1
1 313 . 18 1 1 A 32 32 GLU CA C 32 60.064 59.928 0.136 1
1 314 . 18 1 1 A 32 32 GLU HA H 32 3.695 4.121 -0.426 1
1 315 . 18 1 1 A 32 32 GLU CB C 32 29.809 29.418 0.391 1
1 321 . 18 1 1 A 32 32 GLU C C 32 178.085 179.026 -0.941 1
1 322 . 18 1 1 A 33 33 ARG N N 33 116.851 119.506 -2.655 1
1 323 . 18 1 1 A 33 33 ARG H H 33 7.041 7.876 -0.835 1
1 324 . 18 1 1 A 33 33 ARG CA C 33 58.355 58.974 -0.619 1
1 325 . 18 1 1 A 33 33 ARG HA H 33 4.121 3.963 0.158 1
1 326 . 18 1 1 A 33 33 ARG CB C 33 30.200 29.879 0.321 1
1 335 . 18 1 1 A 33 33 ARG C C 33 178.487 178.817 -0.330 1
1 336 . 18 1 1 A 34 34 ILE N N 34 116.576 117.736 -1.160 1
1 337 . 18 1 1 A 34 34 ILE H H 34 7.947 8.166 -0.219 1
1 338 . 18 1 1 A 34 34 ILE CA C 34 63.154 63.586 -0.432 1
1 339 . 18 1 1 A 34 34 ILE HA H 34 3.952 3.797 0.155 1
1 340 . 18 1 1 A 34 34 ILE CB C 34 37.652 37.194 0.458 1
1 353 . 18 1 1 A 34 34 ILE C C 34 177.459 176.384 1.075 1
1 354 . 18 1 1 A 35 35 HIS N N 35 117.114 120.650 -3.536 1
1 355 . 18 1 1 A 35 35 HIS H H 35 7.243 7.573 -0.330 1
1 356 . 18 1 1 A 35 35 HIS CA C 35 55.496 54.781 0.715 1
1 357 . 18 1 1 A 35 35 HIS HA H 35 4.776 4.657 0.119 1
1 358 . 18 1 1 A 35 35 HIS CB C 35 28.583 27.892 0.691 1
1 365 . 18 1 1 A 35 35 HIS C C 35 175.451 173.952 1.499 1
1 366 . 18 1 1 A 36 36 THR N N 36 112.873 112.101 0.772 1
1 367 . 18 1 1 A 36 36 THR H H 36 7.691 8.075 -0.384 1
1 368 . 18 1 1 A 36 36 THR CA C 36 62.256 60.205 2.051 1
1 369 . 18 1 1 A 36 36 THR HA H 36 4.377 5.057 -0.680 1
1 370 . 18 1 1 A 36 36 THR CB C 36 69.760 71.972 -2.212 1
1 376 . 18 1 1 A 36 36 THR C C 36 174.552 172.199 2.353 1
1 377 . 18 1 1 A 37 37 ARG N N 37 122.792 125.555 -2.763 1
1 378 . 18 1 1 A 37 37 ARG H H 37 8.176 8.668 -0.492 1
1 379 . 18 1 1 A 37 37 ARG CA C 37 56.728 57.060 -0.332 1
1 380 . 18 1 1 A 37 37 ARG HA H 37 4.369 4.505 -0.136 1
1 381 . 18 1 1 A 37 37 ARG CB C 37 30.703 30.997 -0.294 1
1 390 . 18 1 1 A 37 37 ARG C C 37 176.742 176.843 -0.101 1
1 391 . 18 1 1 A 38 38 GLY N N 38 110.024 114.499 -4.475 1
1 392 . 18 1 1 A 38 38 GLY H H 38 8.396 8.817 -0.421 1
1 393 . 18 1 1 A 38 38 GLY CA C 38 45.327 45.907 -0.580 1
1 394 . 18 1 1 A 38 38 GLY HA2 H 38 3.983 4.043 -0.060 1
1 395 . 18 1 1 A 38 38 GLY HA3 H 38 3.983 4.044 -0.061 1
1 396 . 18 1 1 A 38 38 GLY C C 38 174.010 174.163 -0.153 1
1 397 . 18 1 1 A 39 39 VAL N N 39 119.355 115.262 4.093 1
1 398 . 18 1 1 A 39 39 VAL H H 39 7.972 7.763 0.209 1
1 399 . 18 1 1 A 39 39 VAL CA C 39 62.275 59.669 2.606 1
1 400 . 18 1 1 A 39 39 VAL HA H 39 4.134 4.821 -0.687 1
1 401 . 18 1 1 A 39 39 VAL CB C 39 32.877 34.598 -1.721 1
1 411 . 18 1 1 A 39 39 VAL C C 39 176.275 174.718 1.557 1
1 412 . 18 1 1 A 40 40 LYS N N 40 125.416 121.992 3.424 1
1 413 . 18 1 1 A 40 40 LYS H H 40 8.482 8.390 0.092 1
1 414 . 18 1 1 A 40 40 LYS CA C 40 56.257 55.930 0.327 1
1 415 . 18 1 1 A 40 40 LYS HA H 40 4.392 4.582 -0.190 1
1 416 . 18 1 1 A 40 40 LYS CB C 40 33.006 31.426 1.580 1
1 427 . 18 1 1 A 40 40 LYS C C 40 176.346 175.032 1.314 1
1 428 . 18 1 1 A 41 41 SER N N 41 117.710 119.054 -1.344 1
1 429 . 18 1 1 A 41 41 SER H H 41 8.326 8.441 -0.115 1
1 430 . 18 1 1 A 41 41 SER CA C 41 58.775 57.536 1.239 1
1 431 . 18 1 1 A 41 41 SER HA H 41 4.491 4.892 -0.401 1
1 432 . 18 1 1 A 41 41 SER CB C 41 63.841 66.180 -2.339 1
1 435 . 18 1 1 A 41 41 SER C C 41 173.882 173.346 0.536 1
1 436 . 18 1 1 A 42 42 GLY N N 42 116.832 114.243 2.589 1
1 437 . 18 1 1 A 42 42 GLY H H 42 8.057 8.450 -0.393 1
1 438 . 18 1 1 A 42 42 GLY CA C 42 44.640 44.874 -0.234 1
1 439 . 18 1 1 A 42 42 GLY HA2 H 42 4.144 4.108 0.036 1
1 440 . 18 1 1 A 42 42 GLY HA3 H 42 4.144 4.108 0.036 1
1 441 . 18 1 1 A 42 42 GLY C C 42 178.957 173.234 5.723 1
1 442 . 18 1 1 A 43 43 PRO CA C 43 63.377 62.251 1.126 1
1 443 . 18 1 1 A 43 43 PRO HA H 43 4.491 4.668 -0.177 1
1 444 . 18 1 1 A 43 43 PRO CB C 43 32.201 30.024 2.177 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.660 45.689 -0.029 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.931 4.188 -0.257 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.931 4.194 -0.263 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.138 174.746 -0.608 1
1 5 . 19 1 1 A 8 8 GLN N N 8 119.891 121.330 -1.439 1
1 6 . 19 1 1 A 8 8 GLN H H 8 8.206 8.464 -0.258 1
1 7 . 19 1 1 A 8 8 GLN CA C 8 55.820 58.945 -3.125 1
1 8 . 19 1 1 A 8 8 GLN HA H 8 4.341 4.159 0.182 1
1 9 . 19 1 1 A 8 8 GLN CB C 8 29.497 28.730 0.767 1
1 18 . 19 1 1 A 8 8 GLN C C 8 176.071 178.245 -2.174 1
1 19 . 19 1 1 A 9 9 LYS N N 9 122.781 120.951 1.830 1
1 20 . 19 1 1 A 9 9 LYS H H 9 8.408 8.146 0.262 1
1 21 . 19 1 1 A 9 9 LYS CA C 9 56.490 59.698 -3.208 1
1 22 . 19 1 1 A 9 9 LYS HA H 9 4.292 3.988 0.304 1
1 23 . 19 1 1 A 9 9 LYS CB C 9 33.055 32.374 0.681 1
1 35 . 19 1 1 A 9 9 LYS C C 9 176.568 178.278 -1.710 1
1 36 . 19 1 1 A 10 10 GLU N N 10 121.884 117.833 4.051 1
1 37 . 19 1 1 A 10 10 GLU H H 10 8.435 7.646 0.789 1
1 38 . 19 1 1 A 10 10 GLU CA C 10 56.644 55.380 1.264 1
1 39 . 19 1 1 A 10 10 GLU HA H 10 4.239 4.339 -0.100 1
1 40 . 19 1 1 A 10 10 GLU CB C 10 30.349 28.319 2.030 1
1 46 . 19 1 1 A 10 10 GLU C C 10 176.223 175.641 0.582 1
1 47 . 19 1 1 A 11 11 LYS N N 11 122.536 123.674 -1.138 1
1 48 . 19 1 1 A 11 11 LYS H H 11 8.406 7.118 1.288 1
1 49 . 19 1 1 A 11 11 LYS CA C 11 56.095 55.333 0.762 1
1 50 . 19 1 1 A 11 11 LYS HA H 11 4.235 4.554 -0.319 1
1 51 . 19 1 1 A 11 11 LYS CB C 11 32.883 33.403 -0.520 1
1 63 . 19 1 1 A 11 11 LYS C C 11 175.448 174.452 0.996 1
1 64 . 19 1 1 A 12 12 CYS N N 12 119.041 126.161 -7.120 1
1 65 . 19 1 1 A 12 12 CYS H H 12 7.970 8.372 -0.402 1
1 66 . 19 1 1 A 12 12 CYS CA C 12 57.850 57.258 0.592 1
1 67 . 19 1 1 A 12 12 CYS HA H 12 4.523 4.589 -0.066 1
1 68 . 19 1 1 A 12 12 CYS CB C 12 28.790 27.771 1.019 1
1 71 . 19 1 1 A 12 12 CYS C C 12 173.137 174.305 -1.168 1
1 72 . 19 1 1 A 13 13 PHE N N 13 123.659 126.521 -2.862 1
1 73 . 19 1 1 A 13 13 PHE H H 13 8.796 8.748 0.048 1
1 74 . 19 1 1 A 13 13 PHE CA C 13 57.405 58.224 -0.819 1
1 75 . 19 1 1 A 13 13 PHE HA H 13 4.636 4.825 -0.189 1
1 76 . 19 1 1 A 13 13 PHE CB C 13 39.505 38.677 0.828 1
1 89 . 19 1 1 A 13 13 PHE C C 13 174.193 174.997 -0.804 1
1 90 . 19 1 1 A 14 14 LYS N N 14 125.302 125.198 0.104 1
1 91 . 19 1 1 A 14 14 LYS H H 14 8.659 8.947 -0.288 1
1 92 . 19 1 1 A 14 14 LYS CA C 14 55.196 54.476 0.720 1
1 93 . 19 1 1 A 14 14 LYS HA H 14 4.831 5.173 -0.342 1
1 94 . 19 1 1 A 14 14 LYS CB C 14 35.042 35.843 -0.801 1
1 105 . 19 1 1 A 14 14 LYS C C 14 175.026 174.874 0.152 1
1 106 . 19 1 1 A 15 15 CYS N N 15 127.929 124.228 3.701 1
1 107 . 19 1 1 A 15 15 CYS H H 15 8.710 8.738 -0.028 1
1 108 . 19 1 1 A 15 15 CYS CA C 15 60.083 57.843 2.240 1
1 109 . 19 1 1 A 15 15 CYS HA H 15 4.578 4.932 -0.354 1
1 110 . 19 1 1 A 15 15 CYS CB C 15 29.646 30.486 -0.840 1
1 113 . 19 1 1 A 15 15 CYS C C 15 175.715 174.563 1.152 1
1 114 . 19 1 1 A 16 16 ASN N N 16 126.460 123.011 3.449 1
1 115 . 19 1 1 A 16 16 ASN H H 16 9.033 9.032 0.001 1
1 116 . 19 1 1 A 16 16 ASN CA C 16 54.820 54.693 0.127 1
1 117 . 19 1 1 A 16 16 ASN HA H 16 4.728 4.865 -0.137 1
1 118 . 19 1 1 A 16 16 ASN CB C 16 38.681 39.952 -1.271 1
1 124 . 19 1 1 A 16 16 ASN C C 16 176.123 177.349 -1.226 1
1 125 . 19 1 1 A 17 17 LYS N N 17 121.823 117.543 4.280 1
1 126 . 19 1 1 A 17 17 LYS H H 17 9.444 7.995 1.449 1
1 127 . 19 1 1 A 17 17 LYS CA C 17 56.577 59.331 -2.754 1
1 128 . 19 1 1 A 17 17 LYS HA H 17 4.368 3.841 0.527 1
1 129 . 19 1 1 A 17 17 LYS CB C 17 33.308 31.731 1.577 1
1 141 . 19 1 1 A 17 17 LYS C C 17 176.102 179.098 -2.996 1
1 142 . 19 1 1 A 18 18 CYS N N 18 118.544 115.484 3.060 1
1 143 . 19 1 1 A 18 18 CYS H H 18 7.918 7.667 0.251 1
1 144 . 19 1 1 A 18 18 CYS CA C 18 58.610 60.545 -1.935 1
1 145 . 19 1 1 A 18 18 CYS HA H 18 5.016 4.419 0.597 1
1 146 . 19 1 1 A 18 18 CYS CB C 18 30.648 28.829 1.819 1
1 149 . 19 1 1 A 18 18 CYS C C 18 173.625 175.260 -1.635 1
1 150 . 19 1 1 A 19 19 GLU N N 19 115.419 116.206 -0.787 1
1 151 . 19 1 1 A 19 19 GLU H H 19 8.498 7.966 0.532 1
1 152 . 19 1 1 A 19 19 GLU CA C 19 57.672 57.571 0.101 1
1 153 . 19 1 1 A 19 19 GLU HA H 19 4.229 4.350 -0.121 1
1 154 . 19 1 1 A 19 19 GLU CB C 19 28.577 27.103 1.474 1
1 160 . 19 1 1 A 19 19 GLU C C 19 176.219 174.945 1.274 1
1 161 . 19 1 1 A 20 20 LYS N N 20 122.785 118.423 4.362 1
1 162 . 19 1 1 A 20 20 LYS H H 20 8.283 7.241 1.042 1
1 163 . 19 1 1 A 20 20 LYS CA C 20 58.127 54.644 3.483 1
1 164 . 19 1 1 A 20 20 LYS HA H 20 4.033 4.720 -0.687 1
1 165 . 19 1 1 A 20 20 LYS CB C 20 33.528 34.113 -0.585 1
1 177 . 19 1 1 A 20 20 LYS C C 20 174.855 176.660 -1.805 1
1 178 . 19 1 1 A 21 21 THR N N 21 110.456 116.081 -5.625 1
1 179 . 19 1 1 A 21 21 THR H H 21 7.497 8.436 -0.939 1
1 180 . 19 1 1 A 21 21 THR CA C 21 59.617 61.727 -2.110 1
1 181 . 19 1 1 A 21 21 THR HA H 21 5.051 4.545 0.506 1
1 182 . 19 1 1 A 21 21 THR CB C 21 71.680 69.805 1.875 1
1 188 . 19 1 1 A 21 21 THR C C 21 173.142 174.045 -0.903 1
1 189 . 19 1 1 A 22 22 PHE N N 22 117.251 120.286 -3.035 1
1 190 . 19 1 1 A 22 22 PHE H H 22 8.746 9.169 -0.423 1
1 191 . 19 1 1 A 22 22 PHE CA C 22 57.180 56.328 0.852 1
1 192 . 19 1 1 A 22 22 PHE HA H 22 4.963 5.038 -0.075 1
1 193 . 19 1 1 A 22 22 PHE CB C 22 44.791 44.027 0.764 1
1 206 . 19 1 1 A 22 22 PHE C C 22 176.046 175.452 0.594 1
1 207 . 19 1 1 A 23 23 SER CA C 23 59.336 58.351 0.985 1
1 208 . 19 1 1 A 23 23 SER HA H 23 4.754 5.029 -0.275 1
1 209 . 19 1 1 A 23 23 SER CB C 23 64.271 63.661 0.610 1
1 212 . 19 1 1 A 24 24 CYS N N 24 113.033 120.613 -7.580 1
1 213 . 19 1 1 A 24 24 CYS H H 24 7.330 7.982 -0.652 1
1 214 . 19 1 1 A 24 24 CYS CA C 24 56.095 58.251 -2.156 1
1 215 . 19 1 1 A 24 24 CYS HA H 24 4.482 4.816 -0.334 1
1 216 . 19 1 1 A 24 24 CYS CB C 24 30.326 30.479 -0.153 1
1 219 . 19 1 1 A 25 25 SER CA C 25 60.983 60.958 0.025 1
1 220 . 19 1 1 A 25 25 SER HA H 25 3.348 3.254 0.094 1
1 221 . 19 1 1 A 25 25 SER CB C 25 62.224 62.996 -0.772 1
1 224 . 19 1 1 A 26 26 LYS H H 26 8.166 7.725 0.441 1
1 225 . 19 1 1 A 26 26 LYS CA C 26 59.574 59.083 0.491 1
1 226 . 19 1 1 A 26 26 LYS HA H 26 3.971 3.812 0.159 1
1 227 . 19 1 1 A 26 26 LYS CB C 26 31.930 32.148 -0.218 1
1 239 . 19 1 1 A 26 26 LYS C C 26 178.526 178.294 0.232 1
1 240 . 19 1 1 A 27 27 TYR N N 27 117.062 118.851 -1.789 1
1 241 . 19 1 1 A 27 27 TYR H H 27 6.995 7.748 -0.753 1
1 242 . 19 1 1 A 27 27 TYR CA C 27 57.700 60.404 -2.704 1
1 243 . 19 1 1 A 27 27 TYR HA H 27 4.498 4.211 0.287 1
1 244 . 19 1 1 A 27 27 TYR CB C 27 36.779 37.878 -1.099 1
1 255 . 19 1 1 A 27 27 TYR C C 27 178.560 178.042 0.518 1
1 256 . 19 1 1 A 28 28 LEU N N 28 122.433 121.201 1.232 1
1 257 . 19 1 1 A 28 28 LEU H H 28 7.156 7.713 -0.557 1
1 258 . 19 1 1 A 28 28 LEU CA C 28 58.234 57.877 0.357 1
1 259 . 19 1 1 A 28 28 LEU HA H 28 3.396 3.458 -0.062 1
1 260 . 19 1 1 A 28 28 LEU CB C 28 40.519 41.660 -1.141 1
1 273 . 19 1 1 A 28 28 LEU C C 28 177.446 178.262 -0.816 1
1 274 . 19 1 1 A 29 29 THR N N 29 115.799 113.734 2.065 1
1 275 . 19 1 1 A 29 29 THR H H 29 8.543 8.134 0.409 1
1 276 . 19 1 1 A 29 29 THR CA C 29 66.539 66.305 0.234 1
1 277 . 19 1 1 A 29 29 THR HA H 29 3.972 3.763 0.209 1
1 278 . 19 1 1 A 29 29 THR CB C 29 68.701 68.559 0.142 1
1 284 . 19 1 1 A 29 29 THR C C 29 177.042 176.856 0.186 1
1 285 . 19 1 1 A 30 30 GLN N N 30 118.831 120.879 -2.048 1
1 286 . 19 1 1 A 30 30 GLN H H 30 7.568 8.054 -0.486 1
1 287 . 19 1 1 A 30 30 GLN CA C 30 58.801 58.933 -0.132 1
1 288 . 19 1 1 A 30 30 GLN HA H 30 3.971 3.843 0.128 1
1 289 . 19 1 1 A 30 30 GLN CB C 30 28.596 28.393 0.203 1
1 298 . 19 1 1 A 30 30 GLN C C 30 178.233 177.669 0.564 1
1 299 . 19 1 1 A 31 31 HIS N N 31 119.357 119.879 -0.522 1
1 300 . 19 1 1 A 31 31 HIS H H 31 7.565 7.895 -0.330 1
1 301 . 19 1 1 A 31 31 HIS CA C 31 59.086 59.662 -0.576 1
1 302 . 19 1 1 A 31 31 HIS HA H 31 4.227 4.124 0.103 1
1 303 . 19 1 1 A 31 31 HIS CB C 31 28.676 29.962 -1.286 1
1 310 . 19 1 1 A 31 31 HIS C C 31 176.294 176.434 -0.140 1
1 311 . 19 1 1 A 32 32 GLU N N 32 116.614 117.277 -0.663 1
1 312 . 19 1 1 A 32 32 GLU H H 32 8.508 8.820 -0.312 1
1 313 . 19 1 1 A 32 32 GLU CA C 32 60.064 59.846 0.218 1
1 314 . 19 1 1 A 32 32 GLU HA H 32 3.695 3.938 -0.243 1
1 315 . 19 1 1 A 32 32 GLU CB C 32 29.809 29.448 0.361 1
1 321 . 19 1 1 A 32 32 GLU C C 32 178.085 179.074 -0.989 1
1 322 . 19 1 1 A 33 33 ARG N N 33 116.851 119.557 -2.706 1
1 323 . 19 1 1 A 33 33 ARG H H 33 7.041 7.850 -0.809 1
1 324 . 19 1 1 A 33 33 ARG CA C 33 58.355 59.020 -0.665 1
1 325 . 19 1 1 A 33 33 ARG HA H 33 4.121 3.980 0.141 1
1 326 . 19 1 1 A 33 33 ARG CB C 33 30.200 29.849 0.351 1
1 335 . 19 1 1 A 33 33 ARG C C 33 178.487 178.818 -0.331 1
1 336 . 19 1 1 A 34 34 ILE N N 34 116.576 117.746 -1.170 1
1 337 . 19 1 1 A 34 34 ILE H H 34 7.947 8.245 -0.298 1
1 338 . 19 1 1 A 34 34 ILE CA C 34 63.154 63.587 -0.433 1
1 339 . 19 1 1 A 34 34 ILE HA H 34 3.952 3.800 0.152 1
1 340 . 19 1 1 A 34 34 ILE CB C 34 37.652 37.219 0.433 1
1 353 . 19 1 1 A 34 34 ILE C C 34 177.459 176.318 1.141 1
1 354 . 19 1 1 A 35 35 HIS N N 35 117.114 120.798 -3.684 1
1 355 . 19 1 1 A 35 35 HIS H H 35 7.243 7.499 -0.256 1
1 356 . 19 1 1 A 35 35 HIS CA C 35 55.496 54.705 0.791 1
1 357 . 19 1 1 A 35 35 HIS HA H 35 4.776 4.671 0.105 1
1 358 . 19 1 1 A 35 35 HIS CB C 35 28.583 28.165 0.418 1
1 365 . 19 1 1 A 35 35 HIS C C 35 175.451 173.838 1.613 1
1 366 . 19 1 1 A 36 36 THR N N 36 112.873 112.372 0.501 1
1 367 . 19 1 1 A 36 36 THR H H 36 7.691 7.922 -0.231 1
1 368 . 19 1 1 A 36 36 THR CA C 36 62.256 59.931 2.325 1
1 369 . 19 1 1 A 36 36 THR HA H 36 4.377 5.019 -0.642 1
1 370 . 19 1 1 A 36 36 THR CB C 36 69.760 72.295 -2.535 1
1 376 . 19 1 1 A 36 36 THR C C 36 174.552 172.733 1.819 1
1 377 . 19 1 1 A 37 37 ARG N N 37 122.792 122.100 0.692 1
1 378 . 19 1 1 A 37 37 ARG H H 37 8.176 8.598 -0.422 1
1 379 . 19 1 1 A 37 37 ARG CA C 37 56.728 55.041 1.687 1
1 380 . 19 1 1 A 37 37 ARG HA H 37 4.369 4.945 -0.576 1
1 381 . 19 1 1 A 37 37 ARG CB C 37 30.703 32.338 -1.635 1
1 390 . 19 1 1 A 37 37 ARG C C 37 176.742 176.075 0.667 1
1 391 . 19 1 1 A 38 38 GLY N N 38 110.024 109.370 0.654 1
1 392 . 19 1 1 A 38 38 GLY H H 38 8.396 8.370 0.026 1
1 393 . 19 1 1 A 38 38 GLY CA C 38 45.327 45.695 -0.368 1
1 394 . 19 1 1 A 38 38 GLY HA2 H 38 3.983 4.170 -0.187 1
1 395 . 19 1 1 A 38 38 GLY HA3 H 38 3.983 4.172 -0.189 1
1 396 . 19 1 1 A 38 38 GLY C C 38 174.010 174.020 -0.010 1
1 397 . 19 1 1 A 39 39 VAL N N 39 119.355 122.215 -2.860 1
1 398 . 19 1 1 A 39 39 VAL H H 39 7.972 9.020 -1.048 1
1 399 . 19 1 1 A 39 39 VAL CA C 39 62.275 63.088 -0.813 1
1 400 . 19 1 1 A 39 39 VAL HA H 39 4.134 3.866 0.268 1
1 401 . 19 1 1 A 39 39 VAL CB C 39 32.877 29.771 3.106 1
1 411 . 19 1 1 A 39 39 VAL C C 39 176.275 175.705 0.570 1
1 412 . 19 1 1 A 40 40 LYS N N 40 125.416 121.458 3.958 1
1 413 . 19 1 1 A 40 40 LYS H H 40 8.482 7.957 0.525 1
1 414 . 19 1 1 A 40 40 LYS CA C 40 56.257 59.955 -3.698 1
1 415 . 19 1 1 A 40 40 LYS HA H 40 4.392 4.043 0.349 1
1 416 . 19 1 1 A 40 40 LYS CB C 40 33.006 32.509 0.497 1
1 427 . 19 1 1 A 40 40 LYS C C 40 176.346 177.039 -0.693 1
1 428 . 19 1 1 A 41 41 SER N N 41 117.710 113.673 4.037 1
1 429 . 19 1 1 A 41 41 SER H H 41 8.326 7.838 0.488 1
1 430 . 19 1 1 A 41 41 SER CA C 41 58.775 57.894 0.881 1
1 431 . 19 1 1 A 41 41 SER HA H 41 4.491 4.578 -0.087 1
1 432 . 19 1 1 A 41 41 SER CB C 41 63.841 64.487 -0.646 1
1 435 . 19 1 1 A 41 41 SER C C 41 173.882 174.662 -0.780 1
1 436 . 19 1 1 A 42 42 GLY N N 42 116.832 112.353 4.479 1
1 437 . 19 1 1 A 42 42 GLY H H 42 8.057 8.485 -0.428 1
1 438 . 19 1 1 A 42 42 GLY CA C 42 44.640 46.533 -1.893 1
1 439 . 19 1 1 A 42 42 GLY HA2 H 42 4.144 3.966 0.178 1
1 440 . 19 1 1 A 42 42 GLY HA3 H 42 4.144 3.966 0.178 1
1 441 . 19 1 1 A 42 42 GLY C C 42 178.957 174.247 4.710 1
1 442 . 19 1 1 A 43 43 PRO CA C 43 63.377 62.894 0.483 1
1 443 . 19 1 1 A 43 43 PRO HA H 43 4.491 4.536 -0.045 1
1 444 . 19 1 1 A 43 43 PRO CB C 43 32.201 32.045 0.156 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.660 45.261 0.399 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.931 4.025 -0.094 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.931 4.025 -0.094 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.138 172.993 1.145 1
1 5 . 20 1 1 A 8 8 GLN N N 8 119.891 120.070 -0.179 1
1 6 . 20 1 1 A 8 8 GLN H H 8 8.206 8.471 -0.265 1
1 7 . 20 1 1 A 8 8 GLN CA C 8 55.820 55.185 0.635 1
1 8 . 20 1 1 A 8 8 GLN HA H 8 4.341 4.871 -0.530 1
1 9 . 20 1 1 A 8 8 GLN CB C 8 29.497 29.795 -0.298 1
1 18 . 20 1 1 A 8 8 GLN C C 8 176.071 174.415 1.656 1
1 19 . 20 1 1 A 9 9 LYS N N 9 122.781 125.255 -2.474 1
1 20 . 20 1 1 A 9 9 LYS H H 9 8.408 8.754 -0.346 1
1 21 . 20 1 1 A 9 9 LYS CA C 9 56.490 55.198 1.292 1
1 22 . 20 1 1 A 9 9 LYS HA H 9 4.292 4.525 -0.233 1
1 23 . 20 1 1 A 9 9 LYS CB C 9 33.055 31.841 1.214 1
1 35 . 20 1 1 A 9 9 LYS C C 9 176.568 175.331 1.237 1
1 36 . 20 1 1 A 10 10 GLU N N 10 121.884 125.536 -3.652 1
1 37 . 20 1 1 A 10 10 GLU H H 10 8.435 8.474 -0.039 1
1 38 . 20 1 1 A 10 10 GLU CA C 10 56.644 55.181 1.463 1
1 39 . 20 1 1 A 10 10 GLU HA H 10 4.239 4.728 -0.489 1
1 40 . 20 1 1 A 10 10 GLU CB C 10 30.349 30.117 0.232 1
1 46 . 20 1 1 A 10 10 GLU C C 10 176.223 175.838 0.385 1
1 47 . 20 1 1 A 11 11 LYS N N 11 122.536 123.594 -1.058 1
1 48 . 20 1 1 A 11 11 LYS H H 11 8.406 8.212 0.194 1
1 49 . 20 1 1 A 11 11 LYS CA C 11 56.095 55.580 0.515 1
1 50 . 20 1 1 A 11 11 LYS HA H 11 4.235 4.362 -0.127 1
1 51 . 20 1 1 A 11 11 LYS CB C 11 32.883 32.469 0.414 1
1 63 . 20 1 1 A 11 11 LYS C C 11 175.448 175.520 -0.072 1
1 64 . 20 1 1 A 12 12 CYS N N 12 119.041 118.318 0.723 1
1 65 . 20 1 1 A 12 12 CYS H H 12 7.970 7.189 0.781 1
1 66 . 20 1 1 A 12 12 CYS CA C 12 57.850 57.715 0.135 1
1 67 . 20 1 1 A 12 12 CYS HA H 12 4.523 4.878 -0.355 1
1 68 . 20 1 1 A 12 12 CYS CB C 12 28.790 29.828 -1.038 1
1 71 . 20 1 1 A 12 12 CYS C C 12 173.137 173.395 -0.258 1
1 72 . 20 1 1 A 13 13 PHE N N 13 123.659 120.545 3.114 1
1 73 . 20 1 1 A 13 13 PHE H H 13 8.796 9.052 -0.256 1
1 74 . 20 1 1 A 13 13 PHE CA C 13 57.405 56.364 1.041 1
1 75 . 20 1 1 A 13 13 PHE HA H 13 4.636 4.982 -0.346 1
1 76 . 20 1 1 A 13 13 PHE CB C 13 39.505 43.131 -3.626 1
1 89 . 20 1 1 A 13 13 PHE C C 13 174.193 173.943 0.250 1
1 90 . 20 1 1 A 14 14 LYS N N 14 125.302 124.013 1.289 1
1 91 . 20 1 1 A 14 14 LYS H H 14 8.659 9.053 -0.394 1
1 92 . 20 1 1 A 14 14 LYS CA C 14 55.196 54.649 0.547 1
1 93 . 20 1 1 A 14 14 LYS HA H 14 4.831 5.504 -0.673 1
1 94 . 20 1 1 A 14 14 LYS CB C 14 35.042 35.398 -0.356 1
1 105 . 20 1 1 A 14 14 LYS C C 14 175.026 176.357 -1.331 1
1 106 . 20 1 1 A 15 15 CYS N N 15 127.929 124.641 3.288 1
1 107 . 20 1 1 A 15 15 CYS H H 15 8.710 9.392 -0.682 1
1 108 . 20 1 1 A 15 15 CYS CA C 15 60.083 58.749 1.334 1
1 109 . 20 1 1 A 15 15 CYS HA H 15 4.578 4.722 -0.144 1
1 110 . 20 1 1 A 15 15 CYS CB C 15 29.646 29.132 0.514 1
1 113 . 20 1 1 A 15 15 CYS C C 15 175.715 174.582 1.133 1
1 114 . 20 1 1 A 16 16 ASN N N 16 126.460 123.384 3.076 1
1 115 . 20 1 1 A 16 16 ASN H H 16 9.033 8.919 0.114 1
1 116 . 20 1 1 A 16 16 ASN CA C 16 54.820 54.771 0.049 1
1 117 . 20 1 1 A 16 16 ASN HA H 16 4.728 4.870 -0.142 1
1 118 . 20 1 1 A 16 16 ASN CB C 16 38.681 40.088 -1.407 1
1 124 . 20 1 1 A 16 16 ASN C C 16 176.123 177.577 -1.454 1
1 125 . 20 1 1 A 17 17 LYS N N 17 121.823 117.329 4.494 1
1 126 . 20 1 1 A 17 17 LYS H H 17 9.444 7.903 1.541 1
1 127 . 20 1 1 A 17 17 LYS CA C 17 56.577 59.179 -2.602 1
1 128 . 20 1 1 A 17 17 LYS HA H 17 4.368 3.895 0.473 1
1 129 . 20 1 1 A 17 17 LYS CB C 17 33.308 31.775 1.533 1
1 141 . 20 1 1 A 17 17 LYS C C 17 176.102 179.201 -3.099 1
1 142 . 20 1 1 A 18 18 CYS N N 18 118.544 117.639 0.905 1
1 143 . 20 1 1 A 18 18 CYS H H 18 7.918 7.755 0.163 1
1 144 . 20 1 1 A 18 18 CYS CA C 18 58.610 60.651 -2.041 1
1 145 . 20 1 1 A 18 18 CYS HA H 18 5.016 4.403 0.613 1
1 146 . 20 1 1 A 18 18 CYS CB C 18 30.648 28.693 1.955 1
1 149 . 20 1 1 A 18 18 CYS C C 18 173.625 174.995 -1.370 1
1 150 . 20 1 1 A 19 19 GLU N N 19 115.419 116.607 -1.188 1
1 151 . 20 1 1 A 19 19 GLU H H 19 8.498 7.988 0.510 1
1 152 . 20 1 1 A 19 19 GLU CA C 19 57.672 57.646 0.026 1
1 153 . 20 1 1 A 19 19 GLU HA H 19 4.229 4.164 0.065 1
1 154 . 20 1 1 A 19 19 GLU CB C 19 28.577 27.224 1.353 1
1 160 . 20 1 1 A 19 19 GLU C C 19 176.219 174.951 1.268 1
1 161 . 20 1 1 A 20 20 LYS N N 20 122.785 118.214 4.571 1
1 162 . 20 1 1 A 20 20 LYS H H 20 8.283 7.840 0.443 1
1 163 . 20 1 1 A 20 20 LYS CA C 20 58.127 54.870 3.257 1
1 164 . 20 1 1 A 20 20 LYS HA H 20 4.033 4.659 -0.626 1
1 165 . 20 1 1 A 20 20 LYS CB C 20 33.528 34.254 -0.726 1
1 177 . 20 1 1 A 20 20 LYS C C 20 174.855 176.567 -1.712 1
1 178 . 20 1 1 A 21 21 THR N N 21 110.456 113.179 -2.723 1
1 179 . 20 1 1 A 21 21 THR H H 21 7.497 8.380 -0.883 1
1 180 . 20 1 1 A 21 21 THR CA C 21 59.617 60.464 -0.847 1
1 181 . 20 1 1 A 21 21 THR HA H 21 5.051 5.128 -0.077 1
1 182 . 20 1 1 A 21 21 THR CB C 21 71.680 70.558 1.122 1
1 188 . 20 1 1 A 21 21 THR C C 21 173.142 173.623 -0.481 1
1 189 . 20 1 1 A 22 22 PHE N N 22 117.251 119.102 -1.851 1
1 190 . 20 1 1 A 22 22 PHE H H 22 8.746 8.663 0.083 1
1 191 . 20 1 1 A 22 22 PHE CA C 22 57.180 56.515 0.665 1
1 192 . 20 1 1 A 22 22 PHE HA H 22 4.963 4.916 0.047 1
1 193 . 20 1 1 A 22 22 PHE CB C 22 44.791 43.429 1.362 1
1 206 . 20 1 1 A 22 22 PHE C C 22 176.046 175.716 0.330 1
1 207 . 20 1 1 A 23 23 SER CA C 23 59.336 59.369 -0.033 1
1 208 . 20 1 1 A 23 23 SER HA H 23 4.754 4.563 0.191 1
1 209 . 20 1 1 A 23 23 SER CB C 23 64.271 63.931 0.340 1
1 212 . 20 1 1 A 24 24 CYS N N 24 113.033 119.266 -6.233 1
1 213 . 20 1 1 A 24 24 CYS H H 24 7.330 7.920 -0.590 1
1 214 . 20 1 1 A 24 24 CYS CA C 24 56.095 58.195 -2.100 1
1 215 . 20 1 1 A 24 24 CYS HA H 24 4.482 5.086 -0.604 1
1 216 . 20 1 1 A 24 24 CYS CB C 24 30.326 31.914 -1.588 1
1 219 . 20 1 1 A 25 25 SER CA C 25 60.983 60.950 0.033 1
1 220 . 20 1 1 A 25 25 SER HA H 25 3.348 3.772 -0.424 1
1 221 . 20 1 1 A 25 25 SER CB C 25 62.224 62.168 0.056 1
1 224 . 20 1 1 A 26 26 LYS H H 26 8.166 7.947 0.219 1
1 225 . 20 1 1 A 26 26 LYS CA C 26 59.574 58.754 0.820 1
1 226 . 20 1 1 A 26 26 LYS HA H 26 3.971 3.964 0.007 1
1 227 . 20 1 1 A 26 26 LYS CB C 26 31.930 31.613 0.317 1
1 239 . 20 1 1 A 26 26 LYS C C 26 178.526 177.822 0.704 1
1 240 . 20 1 1 A 27 27 TYR N N 27 117.062 119.277 -2.215 1
1 241 . 20 1 1 A 27 27 TYR H H 27 6.995 7.720 -0.725 1
1 242 . 20 1 1 A 27 27 TYR CA C 27 57.700 61.190 -3.490 1
1 243 . 20 1 1 A 27 27 TYR HA H 27 4.498 4.322 0.176 1
1 244 . 20 1 1 A 27 27 TYR CB C 27 36.779 38.266 -1.487 1
1 255 . 20 1 1 A 27 27 TYR C C 27 178.560 178.216 0.344 1
1 256 . 20 1 1 A 28 28 LEU N N 28 122.433 121.874 0.559 1
1 257 . 20 1 1 A 28 28 LEU H H 28 7.156 8.187 -1.031 1
1 258 . 20 1 1 A 28 28 LEU CA C 28 58.234 57.617 0.617 1
1 259 . 20 1 1 A 28 28 LEU HA H 28 3.396 3.196 0.200 1
1 260 . 20 1 1 A 28 28 LEU CB C 28 40.519 41.580 -1.061 1
1 273 . 20 1 1 A 28 28 LEU C C 28 177.446 178.154 -0.708 1
1 274 . 20 1 1 A 29 29 THR N N 29 115.799 113.723 2.076 1
1 275 . 20 1 1 A 29 29 THR H H 29 8.543 8.132 0.411 1
1 276 . 20 1 1 A 29 29 THR CA C 29 66.539 66.390 0.149 1
1 277 . 20 1 1 A 29 29 THR HA H 29 3.972 3.761 0.211 1
1 278 . 20 1 1 A 29 29 THR CB C 29 68.701 68.281 0.420 1
1 284 . 20 1 1 A 29 29 THR C C 29 177.042 176.548 0.494 1
1 285 . 20 1 1 A 30 30 GLN N N 30 118.831 121.293 -2.462 1
1 286 . 20 1 1 A 30 30 GLN H H 30 7.568 8.096 -0.528 1
1 287 . 20 1 1 A 30 30 GLN CA C 30 58.801 58.660 0.141 1
1 288 . 20 1 1 A 30 30 GLN HA H 30 3.971 3.893 0.078 1
1 289 . 20 1 1 A 30 30 GLN CB C 30 28.596 28.307 0.289 1
1 298 . 20 1 1 A 30 30 GLN C C 30 178.233 178.057 0.176 1
1 299 . 20 1 1 A 31 31 HIS N N 31 119.357 120.119 -0.762 1
1 300 . 20 1 1 A 31 31 HIS H H 31 7.565 7.750 -0.185 1
1 301 . 20 1 1 A 31 31 HIS CA C 31 59.086 59.720 -0.634 1
1 302 . 20 1 1 A 31 31 HIS HA H 31 4.227 4.260 -0.033 1
1 303 . 20 1 1 A 31 31 HIS CB C 31 28.676 29.380 -0.704 1
1 310 . 20 1 1 A 31 31 HIS C C 31 176.294 176.855 -0.561 1
1 311 . 20 1 1 A 32 32 GLU N N 32 116.614 117.316 -0.702 1
1 312 . 20 1 1 A 32 32 GLU H H 32 8.508 8.711 -0.203 1
1 313 . 20 1 1 A 32 32 GLU CA C 32 60.064 60.134 -0.070 1
1 314 . 20 1 1 A 32 32 GLU HA H 32 3.695 3.995 -0.300 1
1 315 . 20 1 1 A 32 32 GLU CB C 32 29.809 29.237 0.572 1
1 321 . 20 1 1 A 32 32 GLU C C 32 178.085 179.590 -1.505 1
1 322 . 20 1 1 A 33 33 ARG N N 33 116.851 120.012 -3.161 1
1 323 . 20 1 1 A 33 33 ARG H H 33 7.041 7.878 -0.837 1
1 324 . 20 1 1 A 33 33 ARG CA C 33 58.355 59.006 -0.651 1
1 325 . 20 1 1 A 33 33 ARG HA H 33 4.121 4.059 0.062 1
1 326 . 20 1 1 A 33 33 ARG CB C 33 30.200 29.961 0.239 1
1 335 . 20 1 1 A 33 33 ARG C C 33 178.487 179.077 -0.590 1
1 336 . 20 1 1 A 34 34 ILE N N 34 116.576 118.012 -1.436 1
1 337 . 20 1 1 A 34 34 ILE H H 34 7.947 7.890 0.057 1
1 338 . 20 1 1 A 34 34 ILE CA C 34 63.154 64.031 -0.877 1
1 339 . 20 1 1 A 34 34 ILE HA H 34 3.952 3.703 0.249 1
1 340 . 20 1 1 A 34 34 ILE CB C 34 37.652 37.133 0.519 1
1 353 . 20 1 1 A 34 34 ILE C C 34 177.459 177.434 0.025 1
1 354 . 20 1 1 A 35 35 HIS N N 35 117.114 119.906 -2.792 1
1 355 . 20 1 1 A 35 35 HIS H H 35 7.243 7.103 0.140 1
1 356 . 20 1 1 A 35 35 HIS CA C 35 55.496 58.688 -3.192 1
1 357 . 20 1 1 A 35 35 HIS HA H 35 4.776 4.457 0.319 1
1 358 . 20 1 1 A 35 35 HIS CB C 35 28.583 31.301 -2.718 1
1 365 . 20 1 1 A 35 35 HIS C C 35 175.451 176.543 -1.092 1
1 366 . 20 1 1 A 36 36 THR N N 36 112.873 111.575 1.298 1
1 367 . 20 1 1 A 36 36 THR H H 36 7.691 7.299 0.392 1
1 368 . 20 1 1 A 36 36 THR CA C 36 62.256 60.612 1.644 1
1 369 . 20 1 1 A 36 36 THR HA H 36 4.377 4.363 0.014 1
1 370 . 20 1 1 A 36 36 THR CB C 36 69.760 67.724 2.036 1
1 376 . 20 1 1 A 36 36 THR C C 36 174.552 173.451 1.101 1
1 377 . 20 1 1 A 37 37 ARG N N 37 122.792 126.606 -3.814 1
1 378 . 20 1 1 A 37 37 ARG H H 37 8.176 8.156 0.020 1
1 379 . 20 1 1 A 37 37 ARG CA C 37 56.728 54.754 1.974 1
1 380 . 20 1 1 A 37 37 ARG HA H 37 4.369 4.625 -0.256 1
1 381 . 20 1 1 A 37 37 ARG CB C 37 30.703 31.515 -0.812 1
1 390 . 20 1 1 A 37 37 ARG C C 37 176.742 176.243 0.499 1
1 391 . 20 1 1 A 38 38 GLY N N 38 110.024 115.932 -5.908 1
1 392 . 20 1 1 A 38 38 GLY H H 38 8.396 8.966 -0.570 1
1 393 . 20 1 1 A 38 38 GLY CA C 38 45.327 47.447 -2.120 1
1 394 . 20 1 1 A 38 38 GLY HA2 H 38 3.983 3.816 0.167 1
1 395 . 20 1 1 A 38 38 GLY HA3 H 38 3.983 3.818 0.165 1
1 396 . 20 1 1 A 38 38 GLY C C 38 174.010 173.816 0.194 1
1 397 . 20 1 1 A 39 39 VAL N N 39 119.355 119.550 -0.195 1
1 398 . 20 1 1 A 39 39 VAL H H 39 7.972 8.096 -0.124 1
1 399 . 20 1 1 A 39 39 VAL CA C 39 62.275 59.308 2.967 1
1 400 . 20 1 1 A 39 39 VAL HA H 39 4.134 4.740 -0.606 1
1 401 . 20 1 1 A 39 39 VAL CB C 39 32.877 35.136 -2.259 1
1 411 . 20 1 1 A 39 39 VAL C C 39 176.275 176.188 0.087 1
1 412 . 20 1 1 A 40 40 LYS N N 40 125.416 121.845 3.571 1
1 413 . 20 1 1 A 40 40 LYS H H 40 8.482 8.892 -0.410 1
1 414 . 20 1 1 A 40 40 LYS CA C 40 56.257 59.165 -2.908 1
1 415 . 20 1 1 A 40 40 LYS HA H 40 4.392 4.029 0.363 1
1 416 . 20 1 1 A 40 40 LYS CB C 40 33.006 32.119 0.887 1
1 427 . 20 1 1 A 40 40 LYS C C 40 176.346 178.474 -2.128 1
1 428 . 20 1 1 A 41 41 SER N N 41 117.710 114.056 3.654 1
1 429 . 20 1 1 A 41 41 SER H H 41 8.326 7.858 0.468 1
1 430 . 20 1 1 A 41 41 SER CA C 41 58.775 60.736 -1.961 1
1 431 . 20 1 1 A 41 41 SER HA H 41 4.491 4.271 0.220 1
1 432 . 20 1 1 A 41 41 SER CB C 41 63.841 63.790 0.051 1
1 435 . 20 1 1 A 41 41 SER C C 41 173.882 174.788 -0.906 1
1 436 . 20 1 1 A 42 42 GLY N N 42 116.832 108.015 8.817 1
1 437 . 20 1 1 A 42 42 GLY H H 42 8.057 7.845 0.212 1
1 438 . 20 1 1 A 42 42 GLY CA C 42 44.640 44.669 -0.029 1
1 439 . 20 1 1 A 42 42 GLY HA2 H 42 4.144 4.043 0.101 1
1 440 . 20 1 1 A 42 42 GLY HA3 H 42 4.144 4.043 0.101 1
1 441 . 20 1 1 A 42 42 GLY C C 42 178.957 173.441 5.516 1
1 442 . 20 1 1 A 43 43 PRO CA C 43 63.377 62.234 1.143 1
1 443 . 20 1 1 A 43 43 PRO HA H 43 4.491 4.735 -0.244 1
1 444 . 20 1 1 A 43 43 PRO CB C 43 32.201 30.060 2.141 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 33 1.222 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.370 1
3 1 1 1 "RMS(OBS, PRED)" CB 34 1.205 1
4 1 1 1 "RMS(OBS, PRED)" H 33 0.582 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.336 1
6 1 1 1 "RMS(OBS, PRED)" N 32 3.275 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.328 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.405 1
9 1 2 1 "RMS(OBS, PRED)" CB 34 1.422 1
10 1 2 1 "RMS(OBS, PRED)" H 33 0.577 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 32 3.918 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.319 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.398 1
15 1 3 1 "RMS(OBS, PRED)" CB 34 1.124 1
16 1 3 1 "RMS(OBS, PRED)" H 33 0.579 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.903 1
19 1 4 1 "RMS(OBS, PRED)" C 33 1.572 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.378 1
21 1 4 1 "RMS(OBS, PRED)" CB 34 1.430 1
22 1 4 1 "RMS(OBS, PRED)" H 33 0.554 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.356 1
24 1 4 1 "RMS(OBS, PRED)" N 32 3.174 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.415 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.405 1
27 1 5 1 "RMS(OBS, PRED)" CB 34 1.289 1
28 1 5 1 "RMS(OBS, PRED)" H 33 0.555 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.341 1
30 1 5 1 "RMS(OBS, PRED)" N 32 3.113 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.391 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.481 1
33 1 6 1 "RMS(OBS, PRED)" CB 34 1.293 1
34 1 6 1 "RMS(OBS, PRED)" H 33 0.517 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.353 1
36 1 6 1 "RMS(OBS, PRED)" N 32 3.166 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.606 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.409 1
39 1 7 1 "RMS(OBS, PRED)" CB 34 1.342 1
40 1 7 1 "RMS(OBS, PRED)" H 33 0.553 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.319 1
42 1 7 1 "RMS(OBS, PRED)" N 32 3.155 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.443 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.405 1
45 1 8 1 "RMS(OBS, PRED)" CB 34 1.335 1
46 1 8 1 "RMS(OBS, PRED)" H 33 0.540 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.330 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.903 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.629 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.436 1
51 1 9 1 "RMS(OBS, PRED)" CB 34 1.274 1
52 1 9 1 "RMS(OBS, PRED)" H 33 0.558 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.304 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.931 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.285 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.412 1
57 1 10 1 "RMS(OBS, PRED)" CB 34 1.210 1
58 1 10 1 "RMS(OBS, PRED)" H 33 0.542 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.291 1
60 1 10 1 "RMS(OBS, PRED)" N 32 3.782 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.411 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.609 1
63 1 11 1 "RMS(OBS, PRED)" CB 34 1.355 1
64 1 11 1 "RMS(OBS, PRED)" H 33 0.596 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.329 1
66 1 11 1 "RMS(OBS, PRED)" N 32 3.224 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.546 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.331 1
69 1 12 1 "RMS(OBS, PRED)" CB 34 1.094 1
70 1 12 1 "RMS(OBS, PRED)" H 33 0.611 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.358 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.813 1
73 1 13 1 "RMS(OBS, PRED)" C 33 1.500 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.433 1
75 1 13 1 "RMS(OBS, PRED)" CB 34 1.687 1
76 1 13 1 "RMS(OBS, PRED)" H 33 0.583 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.392 1
78 1 13 1 "RMS(OBS, PRED)" N 32 3.292 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.304 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.357 1
81 1 14 1 "RMS(OBS, PRED)" CB 34 1.321 1
82 1 14 1 "RMS(OBS, PRED)" H 33 0.609 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.329 1
84 1 14 1 "RMS(OBS, PRED)" N 32 3.271 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.657 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.555 1
87 1 15 1 "RMS(OBS, PRED)" CB 34 1.132 1
88 1 15 1 "RMS(OBS, PRED)" H 33 0.611 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.318 1
90 1 15 1 "RMS(OBS, PRED)" N 32 3.103 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.301 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.517 1
93 1 16 1 "RMS(OBS, PRED)" CB 34 1.144 1
94 1 16 1 "RMS(OBS, PRED)" H 33 0.578 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.309 1
96 1 16 1 "RMS(OBS, PRED)" N 32 3.519 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.586 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.351 1
99 1 17 1 "RMS(OBS, PRED)" CB 34 1.289 1
100 1 17 1 "RMS(OBS, PRED)" H 33 0.624 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.346 1
102 1 17 1 "RMS(OBS, PRED)" N 32 3.338 1
103 1 18 1 "RMS(OBS, PRED)" C 33 1.445 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.296 1
105 1 18 1 "RMS(OBS, PRED)" CB 34 1.290 1
106 1 18 1 "RMS(OBS, PRED)" H 33 0.572 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.348 1
108 1 18 1 "RMS(OBS, PRED)" N 32 3.337 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.432 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.665 1
111 1 19 1 "RMS(OBS, PRED)" CB 34 1.204 1
112 1 19 1 "RMS(OBS, PRED)" H 33 0.617 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.305 1
114 1 19 1 "RMS(OBS, PRED)" N 32 3.364 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.481 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.612 1
117 1 20 1 "RMS(OBS, PRED)" CB 34 1.350 1
118 1 20 1 "RMS(OBS, PRED)" H 33 0.540 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.323 1
120 1 20 1 "RMS(OBS, PRED)" N 32 3.299 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.660 45.402 0.258 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.931 4.083 -0.152 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.931 4.085 -0.154 2
1 4 . 1 1 A 7 7 GLY C C 7 174.138 173.717 0.421 2
1 5 . 1 1 A 8 8 GLN N N 8 119.891 120.283 -0.392 2
1 6 . 1 1 A 8 8 GLN H H 8 8.206 8.309 -0.103 2
1 7 . 1 1 A 8 8 GLN CA C 8 55.820 55.870 -0.050 2
1 8 . 1 1 A 8 8 GLN HA H 8 4.341 4.487 -0.146 2
1 9 . 1 1 A 8 8 GLN CB C 8 29.497 29.514 -0.017 2
1 18 . 1 1 A 8 8 GLN C C 8 176.071 175.861 0.210 2
1 19 . 1 1 A 9 9 LYS N N 9 122.781 121.318 1.463 2
1 20 . 1 1 A 9 9 LYS H H 9 8.408 8.337 0.071 2
1 21 . 1 1 A 9 9 LYS CA C 9 56.490 57.078 -0.588 2
1 22 . 1 1 A 9 9 LYS HA H 9 4.292 4.373 -0.081 2
1 23 . 1 1 A 9 9 LYS CB C 9 33.055 33.264 -0.209 2
1 35 . 1 1 A 9 9 LYS C C 9 176.568 176.253 0.315 2
1 36 . 1 1 A 10 10 GLU N N 10 121.884 120.375 1.509 2
1 37 . 1 1 A 10 10 GLU H H 10 8.435 8.184 0.251 2
1 38 . 1 1 A 10 10 GLU CA C 10 56.644 55.918 0.726 2
1 39 . 1 1 A 10 10 GLU HA H 10 4.239 4.501 -0.262 2
1 40 . 1 1 A 10 10 GLU CB C 10 30.349 30.457 -0.108 2
1 46 . 1 1 A 10 10 GLU C C 10 176.223 175.533 0.690 2
1 47 . 1 1 A 11 11 LYS N N 11 122.536 123.451 -0.915 2
1 48 . 1 1 A 11 11 LYS H H 11 8.406 8.483 -0.077 2
1 49 . 1 1 A 11 11 LYS CA C 11 56.095 55.747 0.348 2
1 50 . 1 1 A 11 11 LYS HA H 11 4.235 4.526 -0.291 2
1 51 . 1 1 A 11 11 LYS CB C 11 32.883 33.567 -0.684 2
1 63 . 1 1 A 11 11 LYS C C 11 175.448 175.161 0.287 2
1 64 . 1 1 A 12 12 CYS N N 12 119.041 122.799 -3.758 2
1 65 . 1 1 A 12 12 CYS H H 12 7.970 8.375 -0.405 2
1 66 . 1 1 A 12 12 CYS CA C 12 57.850 57.553 0.297 2
1 67 . 1 1 A 12 12 CYS HA H 12 4.523 4.949 -0.426 2
1 68 . 1 1 A 12 12 CYS CB C 12 28.790 30.227 -1.437 2
1 71 . 1 1 A 12 12 CYS C C 12 173.137 173.271 -0.134 2
1 72 . 1 1 A 13 13 PHE N N 13 123.659 123.386 0.273 2
1 73 . 1 1 A 13 13 PHE H H 13 8.796 8.945 -0.149 2
1 74 . 1 1 A 13 13 PHE CA C 13 57.405 56.993 0.412 2
1 75 . 1 1 A 13 13 PHE HA H 13 4.636 5.038 -0.402 2
1 76 . 1 1 A 13 13 PHE CB C 13 39.505 40.441 -0.936 2
1 89 . 1 1 A 13 13 PHE C C 13 174.193 174.506 -0.313 2
1 90 . 1 1 A 14 14 LYS N N 14 125.302 124.959 0.343 2
1 91 . 1 1 A 14 14 LYS H H 14 8.659 8.999 -0.340 2
1 92 . 1 1 A 14 14 LYS CA C 14 55.196 54.664 0.532 2
1 93 . 1 1 A 14 14 LYS HA H 14 4.831 5.202 -0.371 2
1 94 . 1 1 A 14 14 LYS CB C 14 35.042 35.317 -0.275 2
1 105 . 1 1 A 14 14 LYS C C 14 175.026 175.826 -0.800 2
1 106 . 1 1 A 15 15 CYS N N 15 127.929 124.634 3.295 2
1 107 . 1 1 A 15 15 CYS H H 15 8.710 8.889 -0.179 2
1 108 . 1 1 A 15 15 CYS CA C 15 60.083 58.746 1.337 2
1 109 . 1 1 A 15 15 CYS HA H 15 4.578 4.715 -0.136 2
1 110 . 1 1 A 15 15 CYS CB C 15 29.646 29.286 0.360 2
1 113 . 1 1 A 15 15 CYS C C 15 175.715 174.951 0.764 2
1 114 . 1 1 A 16 16 ASN N N 16 126.460 122.934 3.526 2
1 115 . 1 1 A 16 16 ASN H H 16 9.033 8.873 0.160 2
1 116 . 1 1 A 16 16 ASN CA C 16 54.820 54.249 0.571 2
1 117 . 1 1 A 16 16 ASN HA H 16 4.728 4.899 -0.171 2
1 118 . 1 1 A 16 16 ASN CB C 16 38.681 39.563 -0.882 2
1 124 . 1 1 A 16 16 ASN C C 16 176.123 176.832 -0.709 2
1 125 . 1 1 A 17 17 LYS N N 17 121.823 118.149 3.674 2
1 126 . 1 1 A 17 17 LYS H H 17 9.444 8.040 1.404 2
1 127 . 1 1 A 17 17 LYS CA C 17 56.577 58.807 -2.230 2
1 128 . 1 1 A 17 17 LYS HA H 17 4.368 3.966 0.402 2
1 129 . 1 1 A 17 17 LYS CB C 17 33.308 32.356 0.952 2
1 141 . 1 1 A 17 17 LYS C C 17 176.102 178.735 -2.633 2
1 142 . 1 1 A 18 18 CYS N N 18 118.544 116.175 2.369 2
1 143 . 1 1 A 18 18 CYS H H 18 7.918 7.738 0.180 2
1 144 . 1 1 A 18 18 CYS CA C 18 58.610 60.342 -1.732 2
1 145 . 1 1 A 18 18 CYS HA H 18 5.016 4.417 0.599 2
1 146 . 1 1 A 18 18 CYS CB C 18 30.648 28.924 1.724 2
1 149 . 1 1 A 18 18 CYS C C 18 173.625 175.083 -1.458 2
1 150 . 1 1 A 19 19 GLU N N 19 115.419 116.403 -0.984 2
1 151 . 1 1 A 19 19 GLU H H 19 8.498 7.984 0.514 2
1 152 . 1 1 A 19 19 GLU CA C 19 57.672 57.611 0.061 2
1 153 . 1 1 A 19 19 GLU HA H 19 4.229 4.199 0.030 2
1 154 . 1 1 A 19 19 GLU CB C 19 28.577 27.211 1.366 2
1 160 . 1 1 A 19 19 GLU C C 19 176.219 175.000 1.219 2
1 161 . 1 1 A 20 20 LYS N N 20 122.785 118.361 4.424 2
1 162 . 1 1 A 20 20 LYS H H 20 8.283 7.448 0.835 2
1 163 . 1 1 A 20 20 LYS CA C 20 58.127 54.809 3.318 2
1 164 . 1 1 A 20 20 LYS HA H 20 4.033 4.675 -0.642 2
1 165 . 1 1 A 20 20 LYS CB C 20 33.528 34.040 -0.512 2
1 177 . 1 1 A 20 20 LYS C C 20 174.855 176.462 -1.607 2
1 178 . 1 1 A 21 21 THR N N 21 110.456 115.192 -4.736 2
1 179 . 1 1 A 21 21 THR H H 21 7.497 8.469 -0.972 2
1 180 . 1 1 A 21 21 THR CA C 21 59.617 61.454 -1.837 2
1 181 . 1 1 A 21 21 THR HA H 21 5.051 4.733 0.318 2
1 182 . 1 1 A 21 21 THR CB C 21 71.680 69.994 1.686 2
1 188 . 1 1 A 21 21 THR C C 21 173.142 174.013 -0.871 2
1 189 . 1 1 A 22 22 PHE N N 22 117.251 120.304 -3.053 2
1 190 . 1 1 A 22 22 PHE H H 22 8.746 8.791 -0.045 2
1 191 . 1 1 A 22 22 PHE CA C 22 57.180 56.555 0.625 2
1 192 . 1 1 A 22 22 PHE HA H 22 4.963 4.975 -0.012 2
1 193 . 1 1 A 22 22 PHE CB C 22 44.791 43.218 1.573 2
1 206 . 1 1 A 22 22 PHE C C 22 176.046 175.950 0.096 2
1 207 . 1 1 A 23 23 SER CA C 23 59.336 60.388 -1.052 2
1 208 . 1 1 A 23 23 SER HA H 23 4.754 4.606 0.148 2
1 209 . 1 1 A 23 23 SER CB C 23 64.271 63.855 0.416 2
1 212 . 1 1 A 24 24 CYS N N 24 113.033 118.985 -5.952 2
1 213 . 1 1 A 24 24 CYS H H 24 7.330 8.060 -0.730 2
1 214 . 1 1 A 24 24 CYS CA C 24 56.095 57.704 -1.609 2
1 215 . 1 1 A 24 24 CYS HA H 24 4.482 4.959 -0.477 2
1 216 . 1 1 A 24 24 CYS CB C 24 30.326 30.717 -0.391 2
1 219 . 1 1 A 25 25 SER CA C 25 60.983 60.923 0.060 2
1 220 . 1 1 A 25 25 SER HA H 25 3.348 3.536 -0.188 2
1 221 . 1 1 A 25 25 SER CB C 25 62.224 62.416 -0.192 2
1 224 . 1 1 A 26 26 LYS H H 26 8.166 7.969 0.197 2
1 225 . 1 1 A 26 26 LYS CA C 26 59.574 58.970 0.604 2
1 226 . 1 1 A 26 26 LYS HA H 26 3.971 3.938 0.033 2
1 227 . 1 1 A 26 26 LYS CB C 26 31.930 31.940 -0.010 2
1 239 . 1 1 A 26 26 LYS C C 26 178.526 178.128 0.398 2
1 240 . 1 1 A 27 27 TYR N N 27 117.062 119.101 -2.039 2
1 241 . 1 1 A 27 27 TYR H H 27 6.995 7.837 -0.842 2
1 242 . 1 1 A 27 27 TYR CA C 27 57.700 60.580 -2.880 2
1 243 . 1 1 A 27 27 TYR HA H 27 4.498 4.272 0.226 2
1 244 . 1 1 A 27 27 TYR CB C 27 36.779 38.180 -1.401 2
1 255 . 1 1 A 27 27 TYR C C 27 178.560 178.091 0.469 2
1 256 . 1 1 A 28 28 LEU N N 28 122.433 121.268 1.165 2
1 257 . 1 1 A 28 28 LEU H H 28 7.156 7.874 -0.718 2
1 258 . 1 1 A 28 28 LEU CA C 28 58.234 57.685 0.549 2
1 259 . 1 1 A 28 28 LEU HA H 28 3.396 3.295 0.101 2
1 260 . 1 1 A 28 28 LEU CB C 28 40.519 41.513 -0.994 2
1 273 . 1 1 A 28 28 LEU C C 28 177.446 178.362 -0.916 2
1 274 . 1 1 A 29 29 THR N N 29 115.799 114.114 1.685 2
1 275 . 1 1 A 29 29 THR H H 29 8.543 8.151 0.392 2
1 276 . 1 1 A 29 29 THR CA C 29 66.539 66.218 0.321 2
1 277 . 1 1 A 29 29 THR HA H 29 3.972 3.761 0.211 2
1 278 . 1 1 A 29 29 THR CB C 29 68.701 68.430 0.272 2
1 284 . 1 1 A 29 29 THR C C 29 177.042 176.574 0.468 2
1 285 . 1 1 A 30 30 GLN N N 30 118.831 120.138 -1.307 2
1 286 . 1 1 A 30 30 GLN H H 30 7.568 7.947 -0.379 2
1 287 . 1 1 A 30 30 GLN CA C 30 58.801 58.849 -0.049 2
1 288 . 1 1 A 30 30 GLN HA H 30 3.971 3.890 0.081 2
1 289 . 1 1 A 30 30 GLN CB C 30 28.596 28.305 0.291 2
1 298 . 1 1 A 30 30 GLN C C 30 178.233 177.927 0.306 2
1 299 . 1 1 A 31 31 HIS N N 31 119.357 119.957 -0.600 2
1 300 . 1 1 A 31 31 HIS H H 31 7.565 7.900 -0.335 2
1 301 . 1 1 A 31 31 HIS CA C 31 59.086 59.699 -0.613 2
1 302 . 1 1 A 31 31 HIS HA H 31 4.227 4.172 0.055 2
1 303 . 1 1 A 31 31 HIS CB C 31 28.676 29.749 -1.073 2
1 310 . 1 1 A 31 31 HIS C C 31 176.294 176.543 -0.249 2
1 311 . 1 1 A 32 32 GLU N N 32 116.614 117.257 -0.643 2
1 312 . 1 1 A 32 32 GLU H H 32 8.508 8.788 -0.280 2
1 313 . 1 1 A 32 32 GLU CA C 32 60.064 59.925 0.139 2
1 314 . 1 1 A 32 32 GLU HA H 32 3.695 4.045 -0.350 2
1 315 . 1 1 A 32 32 GLU CB C 32 29.809 29.410 0.399 2
1 321 . 1 1 A 32 32 GLU C C 32 178.085 179.146 -1.061 2
1 322 . 1 1 A 33 33 ARG N N 33 116.851 119.636 -2.785 2
1 323 . 1 1 A 33 33 ARG H H 33 7.041 7.861 -0.820 2
1 324 . 1 1 A 33 33 ARG CA C 33 58.355 58.996 -0.641 2
1 325 . 1 1 A 33 33 ARG HA H 33 4.121 4.031 0.090 2
1 326 . 1 1 A 33 33 ARG CB C 33 30.200 29.869 0.331 2
1 335 . 1 1 A 33 33 ARG C C 33 178.487 178.739 -0.252 2
1 336 . 1 1 A 34 34 ILE N N 34 116.576 117.788 -1.212 2
1 337 . 1 1 A 34 34 ILE H H 34 7.947 8.099 -0.152 2
1 338 . 1 1 A 34 34 ILE CA C 34 63.154 63.820 -0.666 2
1 339 . 1 1 A 34 34 ILE HA H 34 3.952 3.759 0.193 2
1 340 . 1 1 A 34 34 ILE CB C 34 37.652 37.192 0.460 2
1 353 . 1 1 A 34 34 ILE C C 34 177.459 176.900 0.559 2
1 354 . 1 1 A 35 35 HIS N N 35 117.114 120.040 -2.927 2
1 355 . 1 1 A 35 35 HIS H H 35 7.243 7.432 -0.189 2
1 356 . 1 1 A 35 35 HIS CA C 35 55.496 56.585 -1.089 2
1 357 . 1 1 A 35 35 HIS HA H 35 4.776 4.560 0.216 2
1 358 . 1 1 A 35 35 HIS CB C 35 28.583 29.284 -0.701 2
1 365 . 1 1 A 35 35 HIS C C 35 175.451 175.001 0.450 2
1 366 . 1 1 A 36 36 THR N N 36 112.873 111.803 1.070 2
1 367 . 1 1 A 36 36 THR H H 36 7.691 7.743 -0.052 2
1 368 . 1 1 A 36 36 THR CA C 36 62.256 61.135 1.121 2
1 369 . 1 1 A 36 36 THR HA H 36 4.377 4.597 -0.220 2
1 370 . 1 1 A 36 36 THR CB C 36 69.760 70.019 -0.259 2
1 376 . 1 1 A 36 36 THR C C 36 174.552 173.506 1.045 2
1 377 . 1 1 A 37 37 ARG N N 37 122.792 124.185 -1.393 2
1 378 . 1 1 A 37 37 ARG H H 37 8.176 8.617 -0.441 2
1 379 . 1 1 A 37 37 ARG CA C 37 56.728 56.094 0.634 2
1 380 . 1 1 A 37 37 ARG HA H 37 4.369 4.561 -0.192 2
1 381 . 1 1 A 37 37 ARG CB C 37 30.703 31.387 -0.684 2
1 390 . 1 1 A 37 37 ARG C C 37 176.742 176.207 0.535 2
1 391 . 1 1 A 38 38 GLY N N 38 110.024 110.485 -0.461 2
1 392 . 1 1 A 38 38 GLY H H 38 8.396 8.424 -0.028 2
1 393 . 1 1 A 38 38 GLY CA C 38 45.327 45.562 -0.235 2
1 394 . 1 1 A 38 38 GLY HA2 H 38 3.983 4.066 -0.083 2
1 395 . 1 1 A 38 38 GLY HA3 H 38 3.983 4.070 -0.087 2
1 396 . 1 1 A 38 38 GLY C C 38 174.010 173.625 0.385 2
1 397 . 1 1 A 39 39 VAL N N 39 119.355 120.270 -0.915 2
1 398 . 1 1 A 39 39 VAL H H 39 7.972 8.313 -0.341 2
1 399 . 1 1 A 39 39 VAL CA C 39 62.275 61.666 0.609 2
1 400 . 1 1 A 39 39 VAL HA H 39 4.134 4.300 -0.166 2
1 401 . 1 1 A 39 39 VAL CB C 39 32.877 32.708 0.169 2
1 411 . 1 1 A 39 39 VAL C C 39 176.275 175.215 1.059 2
1 412 . 1 1 A 40 40 LYS N N 40 125.416 125.084 0.332 2
1 413 . 1 1 A 40 40 LYS H H 40 8.482 8.324 0.158 2
1 414 . 1 1 A 40 40 LYS CA C 40 56.257 56.348 -0.091 2
1 415 . 1 1 A 40 40 LYS HA H 40 4.392 4.403 -0.011 2
1 416 . 1 1 A 40 40 LYS CB C 40 33.006 33.443 -0.437 2
1 427 . 1 1 A 40 40 LYS C C 40 176.346 175.860 0.486 2
1 428 . 1 1 A 41 41 SER N N 41 117.710 117.617 0.094 2
1 429 . 1 1 A 41 41 SER H H 41 8.326 8.418 -0.092 2
1 430 . 1 1 A 41 41 SER CA C 41 58.775 58.478 0.297 2
1 431 . 1 1 A 41 41 SER HA H 41 4.491 4.598 -0.107 2
1 432 . 1 1 A 41 41 SER CB C 41 63.841 63.940 -0.099 2
1 435 . 1 1 A 41 41 SER C C 41 173.882 174.323 -0.441 2
1 436 . 1 1 A 42 42 GLY N N 42 116.832 110.957 5.875 2
1 437 . 1 1 A 42 42 GLY H H 42 8.057 8.310 -0.253 2
1 438 . 1 1 A 42 42 GLY CA C 42 44.640 45.181 -0.541 2
1 439 . 1 1 A 42 42 GLY HA2 H 42 4.144 4.119 0.025 2
1 440 . 1 1 A 42 42 GLY HA3 H 42 4.144 4.119 0.025 2
1 441 . 1 1 A 42 42 GLY C C 42 178.957 173.488 5.469 2
1 442 . 1 1 A 43 43 PRO CA C 43 63.377 63.533 -0.156 2
1 443 . 1 1 A 43 43 PRO HA H 43 4.491 4.543 -0.052 2
1 444 . 1 1 A 43 43 PRO CB C 43 32.201 31.935 0.266 2
stop_
save_