data_10296_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10296
_Entry.PDB_ID 2DMU
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 10 10 HIS HA H 10 4.605 4.816 -0.211 1
1 5 . 1 1 1 A 10 10 HIS CA C 10 56.397 56.666 -0.269 1
1 6 . 1 1 1 A 10 10 HIS CB C 10 29.857 30.333 -0.476 1
1 8 . 1 1 1 A 12 12 THR HA H 12 4.305 4.622 -0.317 1
1 13 . 1 1 1 A 12 12 THR C C 12 173.925 172.594 1.331 1
1 14 . 1 1 1 A 12 12 THR CA C 12 62.068 60.983 1.085 1
1 15 . 1 1 1 A 12 12 THR CB C 12 69.817 72.870 -3.053 1
1 17 . 1 1 1 A 13 13 ILE H H 13 8.188 8.231 -0.043 1
1 18 . 1 1 1 A 13 13 ILE HA H 13 4.139 4.245 -0.106 1
1 28 . 1 1 1 A 13 13 ILE C C 13 175.795 174.440 1.355 1
1 29 . 1 1 1 A 13 13 ILE CA C 13 61.202 61.183 0.019 1
1 30 . 1 1 1 A 13 13 ILE CB C 13 38.686 38.908 -0.222 1
1 34 . 1 1 1 A 13 13 ILE N N 13 123.673 125.196 -1.523 1
1 35 . 1 1 1 A 14 14 PHE H H 14 8.178 8.800 -0.622 1
1 36 . 1 1 1 A 14 14 PHE HA H 14 4.977 5.126 -0.149 1
1 44 . 1 1 1 A 14 14 PHE C C 14 176.475 175.513 0.962 1
1 45 . 1 1 1 A 14 14 PHE CA C 14 57.025 56.332 0.693 1
1 46 . 1 1 1 A 14 14 PHE CB C 14 41.482 43.910 -2.428 1
1 52 . 1 1 1 A 14 14 PHE N N 14 122.586 126.437 -3.851 1
1 53 . 1 1 1 A 15 15 THR H H 15 8.792 8.733 0.059 1
1 54 . 1 1 1 A 15 15 THR HA H 15 4.462 4.709 -0.247 1
1 59 . 1 1 1 A 15 15 THR C C 15 175.261 175.739 -0.478 1
1 60 . 1 1 1 A 15 15 THR CA C 15 60.623 60.587 0.036 1
1 61 . 1 1 1 A 15 15 THR CB C 15 70.645 71.310 -0.665 1
1 63 . 1 1 1 A 15 15 THR N N 15 113.201 114.110 -0.909 1
1 64 . 1 1 1 A 16 16 ASP H H 16 9.018 9.219 -0.201 1
1 65 . 1 1 1 A 16 16 ASP HA H 16 4.371 4.328 0.043 1
1 68 . 1 1 1 A 16 16 ASP C C 16 178.806 178.320 0.486 1
1 69 . 1 1 1 A 16 16 ASP CA C 16 58.163 57.048 1.115 1
1 70 . 1 1 1 A 16 16 ASP CB C 16 39.689 40.084 -0.395 1
1 71 . 1 1 1 A 16 16 ASP N N 16 121.802 121.742 0.060 1
1 72 . 1 1 1 A 17 17 GLU H H 17 8.785 8.311 0.474 1
1 73 . 1 1 1 A 17 17 GLU HA H 17 4.054 3.948 0.106 1
1 78 . 1 1 1 A 17 17 GLU C C 17 180.044 178.871 1.173 1
1 79 . 1 1 1 A 17 17 GLU CA C 17 59.706 59.632 0.074 1
1 80 . 1 1 1 A 17 17 GLU CB C 17 29.520 28.954 0.566 1
1 82 . 1 1 1 A 17 17 GLU N N 17 119.474 119.086 0.388 1
1 83 . 1 1 1 A 18 18 GLN H H 18 7.700 7.761 -0.061 1
1 84 . 1 1 1 A 18 18 GLN HA H 18 3.665 3.672 -0.007 1
1 91 . 1 1 1 A 18 18 GLN C C 18 177.009 178.860 -1.851 1
1 92 . 1 1 1 A 18 18 GLN CA C 18 59.354 59.132 0.222 1
1 93 . 1 1 1 A 18 18 GLN CB C 18 27.377 28.026 -0.649 1
1 95 . 1 1 1 A 18 18 GLN N N 18 119.784 118.538 1.246 1
1 97 . 1 1 1 A 19 19 LEU H H 19 8.383 8.429 -0.046 1
1 98 . 1 1 1 A 19 19 LEU HA H 19 3.585 3.601 -0.016 1
1 108 . 1 1 1 A 19 19 LEU C C 19 178.830 178.475 0.355 1
1 109 . 1 1 1 A 19 19 LEU CA C 19 57.908 57.770 0.138 1
1 110 . 1 1 1 A 19 19 LEU CB C 19 41.703 41.016 0.687 1
1 114 . 1 1 1 A 19 19 LEU N N 19 117.889 119.361 -1.472 1
1 115 . 1 1 1 A 20 20 GLU H H 20 8.119 8.559 -0.440 1
1 116 . 1 1 1 A 20 20 GLU HA H 20 3.897 3.972 -0.075 1
1 121 . 1 1 1 A 20 20 GLU C C 20 178.126 178.585 -0.459 1
1 122 . 1 1 1 A 20 20 GLU CA C 20 59.248 59.600 -0.352 1
1 123 . 1 1 1 A 20 20 GLU CB C 20 29.697 29.298 0.399 1
1 125 . 1 1 1 A 20 20 GLU N N 20 118.697 119.035 -0.338 1
1 126 . 1 1 1 A 21 21 ALA H H 21 7.309 7.719 -0.410 1
1 127 . 1 1 1 A 21 21 ALA HA H 21 4.057 4.039 0.018 1
1 131 . 1 1 1 A 21 21 ALA C C 21 180.773 179.893 0.880 1
1 132 . 1 1 1 A 21 21 ALA CA C 21 54.947 55.054 -0.107 1
1 133 . 1 1 1 A 21 21 ALA CB C 21 18.888 18.279 0.609 1
1 134 . 1 1 1 A 21 21 ALA N N 21 120.540 120.916 -0.376 1
1 135 . 1 1 1 A 22 22 LEU H H 22 8.070 7.765 0.305 1
1 136 . 1 1 1 A 22 22 LEU HA H 22 3.428 3.730 -0.302 1
1 146 . 1 1 1 A 22 22 LEU C C 22 177.131 178.884 -1.753 1
1 147 . 1 1 1 A 22 22 LEU CA C 22 58.408 57.744 0.664 1
1 148 . 1 1 1 A 22 22 LEU CB C 22 38.173 40.528 -2.355 1
1 152 . 1 1 1 A 22 22 LEU N N 22 121.563 117.881 3.682 1
1 153 . 1 1 1 A 23 23 GLU H H 23 7.997 8.095 -0.098 1
1 154 . 1 1 1 A 23 23 GLU HA H 23 4.289 4.173 0.116 1
1 159 . 1 1 1 A 23 23 GLU C C 23 179.510 179.569 -0.059 1
1 160 . 1 1 1 A 23 23 GLU CA C 23 58.734 59.836 -1.102 1
1 161 . 1 1 1 A 23 23 GLU CB C 23 28.879 29.137 -0.258 1
1 163 . 1 1 1 A 23 23 GLU N N 23 118.641 117.434 1.207 1
1 164 . 1 1 1 A 24 24 ASN H H 24 8.282 8.291 -0.009 1
1 165 . 1 1 1 A 24 24 ASN HA H 24 4.443 4.545 -0.102 1
1 170 . 1 1 1 A 24 24 ASN C C 24 178.563 177.934 0.629 1
1 171 . 1 1 1 A 24 24 ASN CA C 24 56.145 56.074 0.071 1
1 172 . 1 1 1 A 24 24 ASN CB C 24 38.055 38.207 -0.152 1
1 173 . 1 1 1 A 24 24 ASN N N 24 117.495 118.462 -0.967 1
1 175 . 1 1 1 A 25 25 LEU H H 25 7.852 7.825 0.027 1
1 176 . 1 1 1 A 25 25 LEU HA H 25 4.445 4.286 0.159 1
1 186 . 1 1 1 A 25 25 LEU C C 25 177.276 178.307 -1.031 1
1 187 . 1 1 1 A 25 25 LEU CA C 25 57.963 57.446 0.517 1
1 188 . 1 1 1 A 25 25 LEU CB C 25 40.400 42.337 -1.937 1
1 192 . 1 1 1 A 25 25 LEU N N 25 121.261 121.024 0.237 1
1 193 . 1 1 1 A 26 26 PHE H H 26 8.711 8.848 -0.137 1
1 194 . 1 1 1 A 26 26 PHE HA H 26 4.628 4.266 0.362 1
1 202 . 1 1 1 A 26 26 PHE C C 26 176.232 177.613 -1.381 1
1 203 . 1 1 1 A 26 26 PHE CA C 26 61.011 61.185 -0.174 1
1 204 . 1 1 1 A 26 26 PHE CB C 26 38.906 39.168 -0.262 1
1 210 . 1 1 1 A 26 26 PHE N N 26 120.816 119.500 1.316 1
1 211 . 1 1 1 A 27 27 GLN H H 27 8.007 8.062 -0.055 1
1 212 . 1 1 1 A 27 27 GLN HA H 27 3.665 3.995 -0.330 1
1 219 . 1 1 1 A 27 27 GLN C C 27 177.106 178.488 -1.382 1
1 220 . 1 1 1 A 27 27 GLN CA C 27 57.892 59.491 -1.599 1
1 221 . 1 1 1 A 27 27 GLN CB C 27 28.195 28.853 -0.658 1
1 223 . 1 1 1 A 27 27 GLN N N 27 114.037 118.124 -4.087 1
1 225 . 1 1 1 A 28 28 GLU H H 28 7.467 8.602 -1.135 1
1 226 . 1 1 1 A 28 28 GLU HA H 28 4.190 4.185 0.005 1
1 231 . 1 1 1 A 28 28 GLU C C 28 177.106 176.207 0.899 1
1 232 . 1 1 1 A 28 28 GLU CA C 28 58.138 58.951 -0.813 1
1 233 . 1 1 1 A 28 28 GLU CB C 28 30.756 29.054 1.702 1
1 235 . 1 1 1 A 28 28 GLU N N 28 119.193 117.233 1.960 1
1 236 . 1 1 1 A 29 29 THR H H 29 8.971 8.211 0.760 1
1 237 . 1 1 1 A 29 29 THR HA H 29 4.321 4.586 -0.265 1
1 242 . 1 1 1 A 29 29 THR C C 29 170.526 174.597 -4.071 1
1 243 . 1 1 1 A 29 29 THR CA C 29 59.885 60.560 -0.675 1
1 244 . 1 1 1 A 29 29 THR CB C 29 69.656 71.311 -1.655 1
1 246 . 1 1 1 A 29 29 THR N N 29 116.904 113.473 3.431 1
1 247 . 1 1 1 A 30 30 LYS H H 30 7.942 8.484 -0.542 1
1 248 . 1 1 1 A 30 30 LYS HA H 30 3.765 3.707 0.058 1
1 257 . 1 1 1 A 30 30 LYS C C 30 175.844 176.656 -0.812 1
1 258 . 1 1 1 A 30 30 LYS CA C 30 56.583 59.448 -2.865 1
1 259 . 1 1 1 A 30 30 LYS CB C 30 32.421 32.758 -0.337 1
1 263 . 1 1 1 A 30 30 LYS N N 30 123.132 127.672 -4.540 1
1 264 . 1 1 1 A 31 31 TYR H H 31 7.788 8.094 -0.306 1
1 265 . 1 1 1 A 31 31 TYR HA H 31 4.608 5.059 -0.451 1
1 272 . 1 1 1 A 31 31 TYR C C 31 172.687 173.375 -0.688 1
1 273 . 1 1 1 A 31 31 TYR CA C 31 54.864 54.554 0.310 1
1 274 . 1 1 1 A 31 31 TYR CB C 31 38.777 38.836 -0.059 1
1 279 . 1 1 1 A 31 31 TYR N N 31 113.626 117.164 -3.538 1
1 280 . 1 1 1 A 32 32 PRO HA H 32 4.399 4.580 -0.181 1
1 287 . 1 1 1 A 32 32 PRO C C 32 177.203 175.138 2.065 1
1 288 . 1 1 1 A 32 32 PRO CA C 32 62.668 62.246 0.422 1
1 289 . 1 1 1 A 32 32 PRO CB C 32 31.394 32.811 -1.417 1
1 292 . 1 1 1 A 33 33 ASP H H 33 8.548 8.397 0.151 1
1 293 . 1 1 1 A 33 33 ASP HA H 33 4.473 5.086 -0.613 1
1 296 . 1 1 1 A 33 33 ASP C C 33 175.989 177.255 -1.266 1
1 297 . 1 1 1 A 33 33 ASP CA C 33 52.775 52.604 0.171 1
1 298 . 1 1 1 A 33 33 ASP CB C 33 41.295 43.493 -2.198 1
1 299 . 1 1 1 A 33 33 ASP N N 33 123.152 120.292 2.860 1
1 300 . 1 1 1 A 34 34 VAL H H 34 8.493 8.562 -0.069 1
1 301 . 1 1 1 A 34 34 VAL HA H 34 3.522 3.770 -0.248 1
1 309 . 1 1 1 A 34 34 VAL C C 34 177.203 177.953 -0.750 1
1 310 . 1 1 1 A 34 34 VAL CA C 34 66.618 65.761 0.857 1
1 311 . 1 1 1 A 34 34 VAL CB C 34 31.697 31.584 0.113 1
1 314 . 1 1 1 A 34 34 VAL N N 34 119.474 125.212 -5.738 1
1 315 . 1 1 1 A 35 35 GLY H H 35 8.389 8.273 0.116 1
1 316 . 1 1 1 A 35 35 GLY HA2 H 35 3.901 3.751 0.150 1
1 317 . 1 1 1 A 35 35 GLY HA3 H 35 3.901 3.754 0.147 1
1 318 . 1 1 1 A 35 35 GLY C C 35 176.985 175.870 1.115 1
1 319 . 1 1 1 A 35 35 GLY CA C 35 46.976 47.570 -0.594 1
1 320 . 1 1 1 A 35 35 GLY N N 35 109.478 108.705 0.773 1
1 321 . 1 1 1 A 36 36 THR H H 36 8.142 7.894 0.248 1
1 322 . 1 1 1 A 36 36 THR HA H 36 3.918 4.020 -0.102 1
1 327 . 1 1 1 A 36 36 THR C C 36 177.616 176.456 1.160 1
1 328 . 1 1 1 A 36 36 THR CA C 36 66.957 66.147 0.810 1
1 329 . 1 1 1 A 36 36 THR CB C 36 67.887 68.236 -0.349 1
1 331 . 1 1 1 A 36 36 THR N N 36 121.210 117.796 3.414 1
1 332 . 1 1 1 A 37 37 ARG H H 37 8.396 8.376 0.020 1
1 333 . 1 1 1 A 37 37 ARG HA H 37 3.712 3.963 -0.251 1
1 341 . 1 1 1 A 37 37 ARG C C 37 177.980 179.390 -1.410 1
1 342 . 1 1 1 A 37 37 ARG CA C 37 61.187 59.757 1.430 1
1 343 . 1 1 1 A 37 37 ARG CB C 37 31.250 30.009 1.241 1
1 346 . 1 1 1 A 37 37 ARG N N 37 121.196 120.747 0.449 1
1 348 . 1 1 1 A 38 38 GLU H H 38 8.843 8.277 0.566 1
1 349 . 1 1 1 A 38 38 GLU HA H 38 3.905 3.978 -0.073 1
1 354 . 1 1 1 A 38 38 GLU C C 38 178.636 179.151 -0.515 1
1 355 . 1 1 1 A 38 38 GLU CA C 38 59.797 59.281 0.516 1
1 356 . 1 1 1 A 38 38 GLU CB C 38 29.529 29.209 0.320 1
1 358 . 1 1 1 A 38 38 GLU N N 38 119.875 119.789 0.086 1
1 359 . 1 1 1 A 39 39 GLN H H 39 7.939 7.620 0.319 1
1 360 . 1 1 1 A 39 39 GLN HA H 39 3.977 4.023 -0.046 1
1 367 . 1 1 1 A 39 39 GLN C C 39 178.782 177.911 0.871 1
1 368 . 1 1 1 A 39 39 GLN CA C 39 59.078 58.915 0.163 1
1 369 . 1 1 1 A 39 39 GLN CB C 39 28.426 28.459 -0.033 1
1 371 . 1 1 1 A 39 39 GLN N N 39 118.456 119.026 -0.570 1
1 373 . 1 1 1 A 40 40 LEU H H 40 7.515 8.342 -0.827 1
1 374 . 1 1 1 A 40 40 LEU HA H 40 4.129 4.023 0.106 1
1 384 . 1 1 1 A 40 40 LEU C C 40 178.150 178.250 -0.100 1
1 385 . 1 1 1 A 40 40 LEU CA C 40 58.273 58.128 0.145 1
1 386 . 1 1 1 A 40 40 LEU CB C 40 41.194 41.410 -0.216 1
1 390 . 1 1 1 A 40 40 LEU N N 40 121.414 122.043 -0.629 1
1 391 . 1 1 1 A 41 41 ALA H H 41 8.577 8.626 -0.049 1
1 392 . 1 1 1 A 41 41 ALA HA H 41 3.650 4.037 -0.387 1
1 396 . 1 1 1 A 41 41 ALA C C 41 179.559 180.272 -0.713 1
1 397 . 1 1 1 A 41 41 ALA CA C 41 55.925 55.491 0.434 1
1 398 . 1 1 1 A 41 41 ALA CB C 41 17.487 18.573 -1.086 1
1 399 . 1 1 1 A 41 41 ALA N N 41 121.362 120.993 0.369 1
1 400 . 1 1 1 A 42 42 ARG H H 42 7.986 7.790 0.196 1
1 401 . 1 1 1 A 42 42 ARG HA H 42 4.083 4.054 0.029 1
1 408 . 1 1 1 A 42 42 ARG C C 42 179.000 178.803 0.197 1
1 409 . 1 1 1 A 42 42 ARG CA C 42 58.578 59.697 -1.119 1
1 410 . 1 1 1 A 42 42 ARG CB C 42 30.495 29.967 0.528 1
1 413 . 1 1 1 A 42 42 ARG N N 42 114.579 117.619 -3.040 1
1 414 . 1 1 1 A 43 43 LYS H H 43 7.706 7.890 -0.184 1
1 415 . 1 1 1 A 43 43 LYS HA H 43 4.023 4.151 -0.128 1
1 424 . 1 1 1 A 43 43 LYS C C 43 178.248 178.500 -0.252 1
1 425 . 1 1 1 A 43 43 LYS CA C 43 59.177 59.002 0.175 1
1 426 . 1 1 1 A 43 43 LYS CB C 43 33.134 32.488 0.646 1
1 430 . 1 1 1 A 43 43 LYS N N 43 119.896 120.010 -0.114 1
1 431 . 1 1 1 A 44 44 VAL H H 44 7.681 7.681 0.000 1
1 432 . 1 1 1 A 44 44 VAL HA H 44 4.522 4.309 0.213 1
1 440 . 1 1 1 A 44 44 VAL C C 44 174.654 174.833 -0.179 1
1 441 . 1 1 1 A 44 44 VAL CA C 44 59.912 61.325 -1.413 1
1 442 . 1 1 1 A 44 44 VAL CB C 44 30.979 31.456 -0.477 1
1 445 . 1 1 1 A 44 44 VAL N N 44 105.042 110.516 -5.474 1
1 446 . 1 1 1 A 45 45 HIS H H 45 7.398 7.818 -0.420 1
1 447 . 1 1 1 A 45 45 HIS HA H 45 4.293 4.175 0.118 1
1 451 . 1 1 1 A 45 45 HIS C C 45 174.144 173.987 0.157 1
1 452 . 1 1 1 A 45 45 HIS CA C 45 56.956 56.664 0.292 1
1 453 . 1 1 1 A 45 45 HIS CB C 45 26.353 26.622 -0.269 1
1 455 . 1 1 1 A 45 45 HIS N N 45 117.892 116.034 1.858 1
1 456 . 1 1 1 A 46 46 LEU H H 46 8.571 7.970 0.601 1
1 457 . 1 1 1 A 46 46 LEU HA H 46 4.855 4.903 -0.048 1
1 467 . 1 1 1 A 46 46 LEU C C 46 176.256 175.365 0.891 1
1 468 . 1 1 1 A 46 46 LEU CA C 46 52.689 53.596 -0.907 1
1 469 . 1 1 1 A 46 46 LEU CB C 46 47.746 46.158 1.588 1
1 473 . 1 1 1 A 46 46 LEU N N 46 119.288 118.716 0.572 1
1 474 . 1 1 1 A 47 47 ARG H H 47 7.979 8.847 -0.868 1
1 475 . 1 1 1 A 47 47 ARG HA H 47 4.439 4.467 -0.028 1
1 482 . 1 1 1 A 47 47 ARG C C 47 178.830 177.329 1.501 1
1 483 . 1 1 1 A 47 47 ARG CA C 47 55.871 55.559 0.312 1
1 484 . 1 1 1 A 47 47 ARG CB C 47 30.838 31.384 -0.546 1
1 487 . 1 1 1 A 47 47 ARG N N 47 119.085 120.578 -1.493 1
1 488 . 1 1 1 A 48 48 GLU H H 48 9.642 9.196 0.446 1
1 489 . 1 1 1 A 48 48 GLU HA H 48 3.644 3.878 -0.234 1
1 494 . 1 1 1 A 48 48 GLU C C 48 178.515 178.334 0.181 1
1 495 . 1 1 1 A 48 48 GLU CA C 48 61.612 60.558 1.054 1
1 496 . 1 1 1 A 48 48 GLU CB C 48 28.860 29.625 -0.765 1
1 498 . 1 1 1 A 48 48 GLU N N 48 125.963 125.847 0.116 1
1 499 . 1 1 1 A 49 49 GLU H H 49 9.638 8.533 1.105 1
1 500 . 1 1 1 A 49 49 GLU HA H 49 4.239 3.971 0.268 1
1 505 . 1 1 1 A 49 49 GLU C C 49 178.927 179.272 -0.345 1
1 506 . 1 1 1 A 49 49 GLU CA C 49 59.681 59.322 0.359 1
1 507 . 1 1 1 A 49 49 GLU CB C 49 28.531 29.089 -0.558 1
1 509 . 1 1 1 A 49 49 GLU N N 49 118.929 117.677 1.252 1
1 510 . 1 1 1 A 50 50 LYS H H 50 7.398 7.877 -0.479 1
1 511 . 1 1 1 A 50 50 LYS HA H 50 4.318 4.097 0.221 1
1 520 . 1 1 1 A 50 50 LYS C C 50 179.486 179.378 0.108 1
1 521 . 1 1 1 A 50 50 LYS CA C 50 58.084 59.416 -1.332 1
1 522 . 1 1 1 A 50 50 LYS CB C 50 32.487 32.478 0.009 1
1 526 . 1 1 1 A 50 50 LYS N N 50 117.569 119.789 -2.220 1
1 527 . 1 1 1 A 51 51 VAL H H 51 7.614 8.036 -0.422 1
1 528 . 1 1 1 A 51 51 VAL HA H 51 3.739 3.538 0.201 1
1 536 . 1 1 1 A 51 51 VAL C C 51 177.641 177.954 -0.313 1
1 537 . 1 1 1 A 51 51 VAL CA C 51 66.900 67.235 -0.335 1
1 538 . 1 1 1 A 51 51 VAL CB C 51 31.876 31.409 0.467 1
1 541 . 1 1 1 A 51 51 VAL N N 51 120.291 120.266 0.025 1
1 542 . 1 1 1 A 52 52 GLU H H 52 8.274 8.265 0.009 1
1 543 . 1 1 1 A 52 52 GLU HA H 52 4.198 3.780 0.418 1
1 547 . 1 1 1 A 52 52 GLU C C 52 179.073 178.775 0.298 1
1 548 . 1 1 1 A 52 52 GLU CA C 52 60.434 59.639 0.795 1
1 549 . 1 1 1 A 52 52 GLU CB C 52 29.073 29.492 -0.419 1
1 551 . 1 1 1 A 52 52 GLU N N 52 120.105 119.901 0.204 1
1 552 . 1 1 1 A 53 53 VAL H H 53 7.936 7.970 -0.034 1
1 553 . 1 1 1 A 53 53 VAL HA H 53 3.692 3.708 -0.016 1
1 561 . 1 1 1 A 53 53 VAL C C 53 177.592 178.204 -0.612 1
1 562 . 1 1 1 A 53 53 VAL CA C 53 66.935 66.727 0.208 1
1 563 . 1 1 1 A 53 53 VAL CB C 53 32.273 31.667 0.606 1
1 566 . 1 1 1 A 53 53 VAL N N 53 119.238 119.418 -0.180 1
1 567 . 1 1 1 A 54 54 TRP H H 54 8.321 8.259 0.062 1
1 568 . 1 1 1 A 54 54 TRP HA H 54 4.083 4.197 -0.114 1
1 577 . 1 1 1 A 54 54 TRP C C 54 179.802 178.194 1.608 1
1 578 . 1 1 1 A 54 54 TRP CA C 54 63.129 61.203 1.926 1
1 579 . 1 1 1 A 54 54 TRP CB C 54 28.635 29.629 -0.994 1
1 585 . 1 1 1 A 54 54 TRP N N 54 121.382 121.293 0.089 1
1 587 . 1 1 1 A 55 55 PHE H H 55 8.834 8.183 0.651 1
1 588 . 1 1 1 A 55 55 PHE HA H 55 3.676 3.942 -0.266 1
1 596 . 1 1 1 A 55 55 PHE C C 55 178.150 178.164 -0.014 1
1 597 . 1 1 1 A 55 55 PHE CA C 55 64.096 61.895 2.201 1
1 598 . 1 1 1 A 55 55 PHE CB C 55 39.358 38.928 0.430 1
1 604 . 1 1 1 A 55 55 PHE N N 55 118.755 118.277 0.478 1
1 605 . 1 1 1 A 56 56 LYS H H 56 8.241 8.057 0.184 1
1 606 . 1 1 1 A 56 56 LYS HA H 56 3.977 3.881 0.096 1
1 612 . 1 1 1 A 56 56 LYS C C 56 180.166 179.676 0.490 1
1 613 . 1 1 1 A 56 56 LYS CA C 56 60.744 59.565 1.179 1
1 614 . 1 1 1 A 56 56 LYS CB C 56 32.322 32.191 0.131 1
1 618 . 1 1 1 A 56 56 LYS N N 56 120.065 118.265 1.800 1
1 619 . 1 1 1 A 57 57 ASN H H 57 8.084 7.938 0.146 1
1 620 . 1 1 1 A 57 57 ASN HA H 57 4.367 4.370 -0.003 1
1 625 . 1 1 1 A 57 57 ASN C C 57 177.422 178.123 -0.701 1
1 626 . 1 1 1 A 57 57 ASN CA C 57 55.660 56.338 -0.678 1
1 627 . 1 1 1 A 57 57 ASN CB C 57 38.008 37.785 0.223 1
1 628 . 1 1 1 A 57 57 ASN N N 57 118.967 118.240 0.727 1
1 630 . 1 1 1 A 58 58 ARG H H 58 8.575 7.469 1.106 1
1 631 . 1 1 1 A 58 58 ARG HA H 58 3.463 3.533 -0.070 1
1 639 . 1 1 1 A 58 58 ARG C C 58 180.044 179.048 0.996 1
1 640 . 1 1 1 A 58 58 ARG CA C 58 56.568 59.468 -2.900 1
1 641 . 1 1 1 A 58 58 ARG CB C 58 28.155 28.965 -0.810 1
1 644 . 1 1 1 A 58 58 ARG N N 58 124.441 118.739 5.702 1
1 646 . 1 1 1 A 59 59 ARG H H 59 8.490 7.886 0.604 1
1 647 . 1 1 1 A 59 59 ARG HA H 59 4.334 4.203 0.131 1
1 653 . 1 1 1 A 59 59 ARG C C 59 178.223 178.719 -0.496 1
1 654 . 1 1 1 A 59 59 ARG CA C 59 60.699 59.695 1.004 1
1 655 . 1 1 1 A 59 59 ARG CB C 59 31.905 29.998 1.907 1
1 658 . 1 1 1 A 59 59 ARG N N 59 118.847 119.506 -0.659 1
1 659 . 1 1 1 A 60 60 ALA H H 60 7.459 7.806 -0.347 1
1 660 . 1 1 1 A 60 60 ALA HA H 60 4.225 4.136 0.089 1
1 664 . 1 1 1 A 60 60 ALA C C 60 179.680 179.624 0.056 1
1 665 . 1 1 1 A 60 60 ALA CA C 60 55.051 55.272 -0.221 1
1 666 . 1 1 1 A 60 60 ALA CB C 60 17.817 18.623 -0.806 1
1 667 . 1 1 1 A 60 60 ALA N N 60 121.387 121.670 -0.283 1
1 668 . 1 1 1 A 61 61 LYS H H 61 7.452 7.670 -0.218 1
1 669 . 1 1 1 A 61 61 LYS HA H 61 4.042 4.083 -0.041 1
1 676 . 1 1 1 A 61 61 LYS C C 61 178.078 178.144 -0.066 1
1 677 . 1 1 1 A 61 61 LYS CA C 61 58.472 59.556 -1.084 1
1 678 . 1 1 1 A 61 61 LYS CB C 61 32.734 32.371 0.363 1
1 682 . 1 1 1 A 61 61 LYS N N 61 118.087 118.131 -0.044 1
1 683 . 1 1 1 A 62 62 TRP H H 62 8.008 8.173 -0.165 1
1 684 . 1 1 1 A 62 62 TRP HA H 62 4.632 4.189 0.443 1
1 693 . 1 1 1 A 62 62 TRP C C 62 177.471 178.466 -0.995 1
1 694 . 1 1 1 A 62 62 TRP CA C 62 59.120 60.679 -1.559 1
1 695 . 1 1 1 A 62 62 TRP CB C 62 29.366 30.139 -0.773 1
1 701 . 1 1 1 A 62 62 TRP N N 62 121.749 121.819 -0.070 1
1 703 . 1 1 1 A 63 63 ARG H H 63 8.286 8.197 0.089 1
1 704 . 1 1 1 A 63 63 ARG HA H 63 3.736 3.660 0.076 1
1 711 . 1 1 1 A 63 63 ARG C C 63 176.888 178.692 -1.804 1
1 712 . 1 1 1 A 63 63 ARG CA C 63 57.385 58.734 -1.349 1
1 713 . 1 1 1 A 63 63 ARG CB C 63 30.726 30.567 0.159 1
1 716 . 1 1 1 A 63 63 ARG N N 63 119.622 120.222 -0.600 1
1 717 . 1 1 1 A 64 64 ARG H H 64 7.670 7.983 -0.313 1
1 718 . 1 1 1 A 64 64 ARG HA H 64 4.196 3.972 0.224 1
1 723 . 1 1 1 A 64 64 ARG C C 64 176.645 178.424 -1.779 1
1 724 . 1 1 1 A 64 64 ARG CA C 64 56.956 59.473 -2.517 1
1 725 . 1 1 1 A 64 64 ARG CB C 64 30.369 30.151 0.218 1
1 728 . 1 1 1 A 64 64 ARG N N 64 119.096 119.324 -0.228 1
1 729 . 1 1 1 A 65 65 SER H H 65 7.962 8.535 -0.573 1
1 730 . 1 1 1 A 65 65 SER HA H 65 4.474 4.202 0.272 1
1 733 . 1 1 1 A 65 65 SER C C 65 174.435 175.608 -1.173 1
1 734 . 1 1 1 A 65 65 SER CA C 65 58.837 61.233 -2.396 1
1 735 . 1 1 1 A 65 65 SER CB C 65 63.947 62.631 1.316 1
1 736 . 1 1 1 A 65 65 SER N N 65 115.352 113.645 1.707 1
1 737 . 1 1 1 A 66 66 GLY H H 66 8.031 7.718 0.313 1
1 738 . 1 1 1 A 66 66 GLY HA2 H 66 4.068 3.765 0.303 1
1 739 . 1 1 1 A 66 66 GLY C C 66 171.813 174.389 -2.576 1
1 740 . 1 1 1 A 66 66 GLY CA C 66 44.800 44.406 0.394 1
1 741 . 1 1 1 A 66 66 GLY N N 66 110.503 109.772 0.731 1
1 742 . 1 1 1 A 67 67 PRO HA H 67 4.456 4.377 0.079 1
1 747 . 1 1 1 A 67 67 PRO CA C 67 63.352 64.083 -0.731 1
1 748 . 1 1 1 A 67 67 PRO CB C 67 32.167 31.930 0.237 1
1 751 . 1 1 1 A 68 68 SER HA H 68 4.457 4.051 0.406 1
1 754 . 1 1 1 A 68 68 SER C C 68 174.654 174.240 0.414 1
1 755 . 1 1 1 A 68 68 SER CA C 68 58.612 61.142 -2.530 1
1 756 . 1 1 1 A 68 68 SER CB C 68 63.845 62.901 0.944 1
1 757 . 1 1 1 A 69 69 SER HA H 69 4.491 4.827 -0.336 1
1 760 . 1 1 1 A 69 69 SER C C 69 173.925 174.338 -0.413 1
1 761 . 1 1 1 A 69 69 SER CA C 69 58.423 56.730 1.693 1
1 762 . 1 1 1 A 69 69 SER CB C 69 63.969 65.671 -1.702 1
1 1 . 2 1 1 A 10 10 HIS HA H 10 4.605 4.496 0.109 1
1 5 . 2 1 1 A 10 10 HIS CA C 10 56.397 57.400 -1.003 1
1 6 . 2 1 1 A 10 10 HIS CB C 10 29.857 29.009 0.848 1
1 8 . 2 1 1 A 12 12 THR HA H 12 4.305 4.953 -0.648 1
1 13 . 2 1 1 A 12 12 THR C C 12 173.925 172.803 1.122 1
1 14 . 2 1 1 A 12 12 THR CA C 12 62.068 60.914 1.154 1
1 15 . 2 1 1 A 12 12 THR CB C 12 69.817 73.370 -3.553 1
1 17 . 2 1 1 A 13 13 ILE H H 13 8.188 8.767 -0.579 1
1 18 . 2 1 1 A 13 13 ILE HA H 13 4.139 4.746 -0.607 1
1 28 . 2 1 1 A 13 13 ILE C C 13 175.795 175.344 0.451 1
1 29 . 2 1 1 A 13 13 ILE CA C 13 61.202 60.050 1.152 1
1 30 . 2 1 1 A 13 13 ILE CB C 13 38.686 41.261 -2.575 1
1 34 . 2 1 1 A 13 13 ILE N N 13 123.673 124.924 -1.251 1
1 35 . 2 1 1 A 14 14 PHE H H 14 8.178 8.951 -0.773 1
1 36 . 2 1 1 A 14 14 PHE HA H 14 4.977 4.906 0.071 1
1 44 . 2 1 1 A 14 14 PHE C C 14 176.475 176.157 0.318 1
1 45 . 2 1 1 A 14 14 PHE CA C 14 57.025 58.306 -1.281 1
1 46 . 2 1 1 A 14 14 PHE CB C 14 41.482 39.563 1.919 1
1 52 . 2 1 1 A 14 14 PHE N N 14 122.586 126.040 -3.454 1
1 53 . 2 1 1 A 15 15 THR H H 15 8.792 8.560 0.232 1
1 54 . 2 1 1 A 15 15 THR HA H 15 4.462 4.564 -0.102 1
1 59 . 2 1 1 A 15 15 THR C C 15 175.261 175.331 -0.070 1
1 60 . 2 1 1 A 15 15 THR CA C 15 60.623 61.157 -0.534 1
1 61 . 2 1 1 A 15 15 THR CB C 15 70.645 69.718 0.927 1
1 63 . 2 1 1 A 15 15 THR N N 15 113.201 115.708 -2.507 1
1 64 . 2 1 1 A 16 16 ASP H H 16 9.018 9.041 -0.023 1
1 65 . 2 1 1 A 16 16 ASP HA H 16 4.371 4.267 0.104 1
1 68 . 2 1 1 A 16 16 ASP C C 16 178.806 178.240 0.566 1
1 69 . 2 1 1 A 16 16 ASP CA C 16 58.163 58.055 0.108 1
1 70 . 2 1 1 A 16 16 ASP CB C 16 39.689 40.406 -0.717 1
1 71 . 2 1 1 A 16 16 ASP N N 16 121.802 127.461 -5.659 1
1 72 . 2 1 1 A 17 17 GLU H H 17 8.785 8.332 0.453 1
1 73 . 2 1 1 A 17 17 GLU HA H 17 4.054 3.967 0.087 1
1 78 . 2 1 1 A 17 17 GLU C C 17 180.044 179.148 0.896 1
1 79 . 2 1 1 A 17 17 GLU CA C 17 59.706 59.833 -0.127 1
1 80 . 2 1 1 A 17 17 GLU CB C 17 29.520 29.306 0.214 1
1 82 . 2 1 1 A 17 17 GLU N N 17 119.474 119.945 -0.471 1
1 83 . 2 1 1 A 18 18 GLN H H 18 7.700 8.003 -0.303 1
1 84 . 2 1 1 A 18 18 GLN HA H 18 3.665 3.760 -0.095 1
1 91 . 2 1 1 A 18 18 GLN C C 18 177.009 178.680 -1.671 1
1 92 . 2 1 1 A 18 18 GLN CA C 18 59.354 59.072 0.282 1
1 93 . 2 1 1 A 18 18 GLN CB C 18 27.377 28.140 -0.763 1
1 95 . 2 1 1 A 18 18 GLN N N 18 119.784 118.943 0.841 1
1 97 . 2 1 1 A 19 19 LEU H H 19 8.383 8.250 0.133 1
1 98 . 2 1 1 A 19 19 LEU HA H 19 3.585 3.526 0.059 1
1 108 . 2 1 1 A 19 19 LEU C C 19 178.830 178.339 0.491 1
1 109 . 2 1 1 A 19 19 LEU CA C 19 57.908 57.818 0.090 1
1 110 . 2 1 1 A 19 19 LEU CB C 19 41.703 41.294 0.409 1
1 114 . 2 1 1 A 19 19 LEU N N 19 117.889 119.811 -1.922 1
1 115 . 2 1 1 A 20 20 GLU H H 20 8.119 8.614 -0.495 1
1 116 . 2 1 1 A 20 20 GLU HA H 20 3.897 3.923 -0.026 1
1 121 . 2 1 1 A 20 20 GLU C C 20 178.126 178.536 -0.410 1
1 122 . 2 1 1 A 20 20 GLU CA C 20 59.248 59.450 -0.202 1
1 123 . 2 1 1 A 20 20 GLU CB C 20 29.697 29.406 0.291 1
1 125 . 2 1 1 A 20 20 GLU N N 20 118.697 119.888 -1.191 1
1 126 . 2 1 1 A 21 21 ALA H H 21 7.309 7.535 -0.226 1
1 127 . 2 1 1 A 21 21 ALA HA H 21 4.057 4.066 -0.009 1
1 131 . 2 1 1 A 21 21 ALA C C 21 180.773 179.793 0.980 1
1 132 . 2 1 1 A 21 21 ALA CA C 21 54.947 55.098 -0.151 1
1 133 . 2 1 1 A 21 21 ALA CB C 21 18.888 18.496 0.392 1
1 134 . 2 1 1 A 21 21 ALA N N 21 120.540 121.065 -0.525 1
1 135 . 2 1 1 A 22 22 LEU H H 22 8.070 7.913 0.157 1
1 136 . 2 1 1 A 22 22 LEU HA H 22 3.428 3.821 -0.393 1
1 146 . 2 1 1 A 22 22 LEU C C 22 177.131 178.839 -1.708 1
1 147 . 2 1 1 A 22 22 LEU CA C 22 58.408 57.846 0.562 1
1 148 . 2 1 1 A 22 22 LEU CB C 22 38.173 40.541 -2.368 1
1 152 . 2 1 1 A 22 22 LEU N N 22 121.563 117.660 3.903 1
1 153 . 2 1 1 A 23 23 GLU H H 23 7.997 8.060 -0.063 1
1 154 . 2 1 1 A 23 23 GLU HA H 23 4.289 4.115 0.174 1
1 159 . 2 1 1 A 23 23 GLU C C 23 179.510 179.680 -0.170 1
1 160 . 2 1 1 A 23 23 GLU CA C 23 58.734 59.974 -1.240 1
1 161 . 2 1 1 A 23 23 GLU CB C 23 28.879 29.293 -0.414 1
1 163 . 2 1 1 A 23 23 GLU N N 23 118.641 117.366 1.275 1
1 164 . 2 1 1 A 24 24 ASN H H 24 8.282 8.202 0.080 1
1 165 . 2 1 1 A 24 24 ASN HA H 24 4.443 4.559 -0.116 1
1 170 . 2 1 1 A 24 24 ASN C C 24 178.563 178.136 0.427 1
1 171 . 2 1 1 A 24 24 ASN CA C 24 56.145 56.303 -0.158 1
1 172 . 2 1 1 A 24 24 ASN CB C 24 38.055 38.291 -0.236 1
1 173 . 2 1 1 A 24 24 ASN N N 24 117.495 118.219 -0.724 1
1 175 . 2 1 1 A 25 25 LEU H H 25 7.852 8.082 -0.230 1
1 176 . 2 1 1 A 25 25 LEU HA H 25 4.445 4.156 0.289 1
1 186 . 2 1 1 A 25 25 LEU C C 25 177.276 178.526 -1.250 1
1 187 . 2 1 1 A 25 25 LEU CA C 25 57.963 57.716 0.247 1
1 188 . 2 1 1 A 25 25 LEU CB C 25 40.400 41.866 -1.466 1
1 192 . 2 1 1 A 25 25 LEU N N 25 121.261 120.747 0.514 1
1 193 . 2 1 1 A 26 26 PHE H H 26 8.711 8.842 -0.131 1
1 194 . 2 1 1 A 26 26 PHE HA H 26 4.628 4.030 0.598 1
1 202 . 2 1 1 A 26 26 PHE C C 26 176.232 177.867 -1.635 1
1 203 . 2 1 1 A 26 26 PHE CA C 26 61.011 60.762 0.249 1
1 204 . 2 1 1 A 26 26 PHE CB C 26 38.906 38.636 0.270 1
1 210 . 2 1 1 A 26 26 PHE N N 26 120.816 119.337 1.479 1
1 211 . 2 1 1 A 27 27 GLN H H 27 8.007 8.435 -0.428 1
1 212 . 2 1 1 A 27 27 GLN HA H 27 3.665 3.541 0.124 1
1 219 . 2 1 1 A 27 27 GLN C C 27 177.106 178.766 -1.660 1
1 220 . 2 1 1 A 27 27 GLN CA C 27 57.892 59.383 -1.491 1
1 221 . 2 1 1 A 27 27 GLN CB C 27 28.195 28.685 -0.490 1
1 223 . 2 1 1 A 27 27 GLN N N 27 114.037 118.187 -4.150 1
1 225 . 2 1 1 A 28 28 GLU H H 28 7.467 8.313 -0.846 1
1 226 . 2 1 1 A 28 28 GLU HA H 28 4.190 4.101 0.089 1
1 231 . 2 1 1 A 28 28 GLU C C 28 177.106 176.108 0.998 1
1 232 . 2 1 1 A 28 28 GLU CA C 28 58.138 58.782 -0.644 1
1 233 . 2 1 1 A 28 28 GLU CB C 28 30.756 29.143 1.613 1
1 235 . 2 1 1 A 28 28 GLU N N 28 119.193 117.893 1.300 1
1 236 . 2 1 1 A 29 29 THR H H 29 8.971 7.803 1.168 1
1 237 . 2 1 1 A 29 29 THR HA H 29 4.321 4.717 -0.396 1
1 242 . 2 1 1 A 29 29 THR C C 29 170.526 173.504 -2.978 1
1 243 . 2 1 1 A 29 29 THR CA C 29 59.885 60.093 -0.208 1
1 244 . 2 1 1 A 29 29 THR CB C 29 69.656 70.800 -1.144 1
1 246 . 2 1 1 A 29 29 THR N N 29 116.904 113.261 3.643 1
1 247 . 2 1 1 A 30 30 LYS H H 30 7.942 8.696 -0.754 1
1 248 . 2 1 1 A 30 30 LYS HA H 30 3.765 4.082 -0.317 1
1 257 . 2 1 1 A 30 30 LYS C C 30 175.844 176.414 -0.570 1
1 258 . 2 1 1 A 30 30 LYS CA C 30 56.583 57.597 -1.014 1
1 259 . 2 1 1 A 30 30 LYS CB C 30 32.421 32.952 -0.531 1
1 263 . 2 1 1 A 30 30 LYS N N 30 123.132 125.396 -2.264 1
1 264 . 2 1 1 A 31 31 TYR H H 31 7.788 8.032 -0.244 1
1 265 . 2 1 1 A 31 31 TYR HA H 31 4.608 5.188 -0.580 1
1 272 . 2 1 1 A 31 31 TYR C C 31 172.687 173.308 -0.621 1
1 273 . 2 1 1 A 31 31 TYR CA C 31 54.864 54.734 0.130 1
1 274 . 2 1 1 A 31 31 TYR CB C 31 38.777 39.177 -0.400 1
1 279 . 2 1 1 A 31 31 TYR N N 31 113.626 117.089 -3.463 1
1 280 . 2 1 1 A 32 32 PRO HA H 32 4.399 4.615 -0.216 1
1 287 . 2 1 1 A 32 32 PRO C C 32 177.203 175.260 1.943 1
1 288 . 2 1 1 A 32 32 PRO CA C 32 62.668 62.399 0.269 1
1 289 . 2 1 1 A 32 32 PRO CB C 32 31.394 32.849 -1.455 1
1 292 . 2 1 1 A 33 33 ASP H H 33 8.548 8.483 0.065 1
1 293 . 2 1 1 A 33 33 ASP HA H 33 4.473 5.047 -0.574 1
1 296 . 2 1 1 A 33 33 ASP C C 33 175.989 177.255 -1.266 1
1 297 . 2 1 1 A 33 33 ASP CA C 33 52.775 52.693 0.082 1
1 298 . 2 1 1 A 33 33 ASP CB C 33 41.295 43.514 -2.219 1
1 299 . 2 1 1 A 33 33 ASP N N 33 123.152 120.357 2.795 1
1 300 . 2 1 1 A 34 34 VAL H H 34 8.493 8.568 -0.075 1
1 301 . 2 1 1 A 34 34 VAL HA H 34 3.522 3.763 -0.241 1
1 309 . 2 1 1 A 34 34 VAL C C 34 177.203 177.965 -0.762 1
1 310 . 2 1 1 A 34 34 VAL CA C 34 66.618 65.757 0.861 1
1 311 . 2 1 1 A 34 34 VAL CB C 34 31.697 31.819 -0.122 1
1 314 . 2 1 1 A 34 34 VAL N N 34 119.474 125.310 -5.836 1
1 315 . 2 1 1 A 35 35 GLY H H 35 8.389 8.311 0.078 1
1 316 . 2 1 1 A 35 35 GLY HA2 H 35 3.901 3.789 0.112 1
1 317 . 2 1 1 A 35 35 GLY HA3 H 35 3.901 3.792 0.109 1
1 318 . 2 1 1 A 35 35 GLY C C 35 176.985 176.512 0.473 1
1 319 . 2 1 1 A 35 35 GLY CA C 35 46.976 47.426 -0.450 1
1 320 . 2 1 1 A 35 35 GLY N N 35 109.478 108.852 0.626 1
1 321 . 2 1 1 A 36 36 THR H H 36 8.142 7.958 0.184 1
1 322 . 2 1 1 A 36 36 THR HA H 36 3.918 4.042 -0.124 1
1 327 . 2 1 1 A 36 36 THR C C 36 177.616 176.803 0.813 1
1 328 . 2 1 1 A 36 36 THR CA C 36 66.957 66.106 0.851 1
1 329 . 2 1 1 A 36 36 THR CB C 36 67.887 68.121 -0.234 1
1 331 . 2 1 1 A 36 36 THR N N 36 121.210 117.765 3.445 1
1 332 . 2 1 1 A 37 37 ARG H H 37 8.396 8.330 0.066 1
1 333 . 2 1 1 A 37 37 ARG HA H 37 3.712 3.887 -0.175 1
1 341 . 2 1 1 A 37 37 ARG C C 37 177.980 179.197 -1.217 1
1 342 . 2 1 1 A 37 37 ARG CA C 37 61.187 59.879 1.308 1
1 343 . 2 1 1 A 37 37 ARG CB C 37 31.250 30.095 1.155 1
1 346 . 2 1 1 A 37 37 ARG N N 37 121.196 120.324 0.872 1
1 348 . 2 1 1 A 38 38 GLU H H 38 8.843 8.468 0.375 1
1 349 . 2 1 1 A 38 38 GLU HA H 38 3.905 3.978 -0.073 1
1 354 . 2 1 1 A 38 38 GLU C C 38 178.636 179.209 -0.573 1
1 355 . 2 1 1 A 38 38 GLU CA C 38 59.797 59.356 0.441 1
1 356 . 2 1 1 A 38 38 GLU CB C 38 29.529 29.089 0.440 1
1 358 . 2 1 1 A 38 38 GLU N N 38 119.875 119.800 0.075 1
1 359 . 2 1 1 A 39 39 GLN H H 39 7.939 7.502 0.437 1
1 360 . 2 1 1 A 39 39 GLN HA H 39 3.977 3.949 0.028 1
1 367 . 2 1 1 A 39 39 GLN C C 39 178.782 178.101 0.681 1
1 368 . 2 1 1 A 39 39 GLN CA C 39 59.078 59.001 0.077 1
1 369 . 2 1 1 A 39 39 GLN CB C 39 28.426 28.464 -0.038 1
1 371 . 2 1 1 A 39 39 GLN N N 39 118.456 118.842 -0.386 1
1 373 . 2 1 1 A 40 40 LEU H H 40 7.515 8.399 -0.884 1
1 374 . 2 1 1 A 40 40 LEU HA H 40 4.129 4.014 0.115 1
1 384 . 2 1 1 A 40 40 LEU C C 40 178.150 178.236 -0.086 1
1 385 . 2 1 1 A 40 40 LEU CA C 40 58.273 58.401 -0.128 1
1 386 . 2 1 1 A 40 40 LEU CB C 40 41.194 41.628 -0.434 1
1 390 . 2 1 1 A 40 40 LEU N N 40 121.414 122.215 -0.801 1
1 391 . 2 1 1 A 41 41 ALA H H 41 8.577 8.647 -0.070 1
1 392 . 2 1 1 A 41 41 ALA HA H 41 3.650 4.061 -0.411 1
1 396 . 2 1 1 A 41 41 ALA C C 41 179.559 180.303 -0.744 1
1 397 . 2 1 1 A 41 41 ALA CA C 41 55.925 55.504 0.421 1
1 398 . 2 1 1 A 41 41 ALA CB C 41 17.487 18.586 -1.099 1
1 399 . 2 1 1 A 41 41 ALA N N 41 121.362 120.977 0.385 1
1 400 . 2 1 1 A 42 42 ARG H H 42 7.986 7.824 0.162 1
1 401 . 2 1 1 A 42 42 ARG HA H 42 4.083 4.022 0.061 1
1 408 . 2 1 1 A 42 42 ARG C C 42 179.000 178.799 0.201 1
1 409 . 2 1 1 A 42 42 ARG CA C 42 58.578 59.708 -1.130 1
1 410 . 2 1 1 A 42 42 ARG CB C 42 30.495 30.004 0.491 1
1 413 . 2 1 1 A 42 42 ARG N N 42 114.579 117.657 -3.078 1
1 414 . 2 1 1 A 43 43 LYS H H 43 7.706 8.032 -0.326 1
1 415 . 2 1 1 A 43 43 LYS HA H 43 4.023 4.169 -0.146 1
1 424 . 2 1 1 A 43 43 LYS C C 43 178.248 178.554 -0.306 1
1 425 . 2 1 1 A 43 43 LYS CA C 43 59.177 59.068 0.109 1
1 426 . 2 1 1 A 43 43 LYS CB C 43 33.134 32.459 0.675 1
1 430 . 2 1 1 A 43 43 LYS N N 43 119.896 120.589 -0.693 1
1 431 . 2 1 1 A 44 44 VAL H H 44 7.681 7.793 -0.112 1
1 432 . 2 1 1 A 44 44 VAL HA H 44 4.522 4.321 0.201 1
1 440 . 2 1 1 A 44 44 VAL C C 44 174.654 174.881 -0.227 1
1 441 . 2 1 1 A 44 44 VAL CA C 44 59.912 61.432 -1.520 1
1 442 . 2 1 1 A 44 44 VAL CB C 44 30.979 31.547 -0.568 1
1 445 . 2 1 1 A 44 44 VAL N N 44 105.042 110.664 -5.622 1
1 446 . 2 1 1 A 45 45 HIS H H 45 7.398 7.871 -0.473 1
1 447 . 2 1 1 A 45 45 HIS HA H 45 4.293 4.193 0.100 1
1 451 . 2 1 1 A 45 45 HIS C C 45 174.144 173.938 0.206 1
1 452 . 2 1 1 A 45 45 HIS CA C 45 56.956 56.626 0.330 1
1 453 . 2 1 1 A 45 45 HIS CB C 45 26.353 26.596 -0.243 1
1 455 . 2 1 1 A 45 45 HIS N N 45 117.892 116.093 1.799 1
1 456 . 2 1 1 A 46 46 LEU H H 46 8.571 7.879 0.692 1
1 457 . 2 1 1 A 46 46 LEU HA H 46 4.855 4.933 -0.078 1
1 467 . 2 1 1 A 46 46 LEU C C 46 176.256 175.101 1.155 1
1 468 . 2 1 1 A 46 46 LEU CA C 46 52.689 53.349 -0.660 1
1 469 . 2 1 1 A 46 46 LEU CB C 46 47.746 45.705 2.041 1
1 473 . 2 1 1 A 46 46 LEU N N 46 119.288 118.686 0.602 1
1 474 . 2 1 1 A 47 47 ARG H H 47 7.979 8.764 -0.785 1
1 475 . 2 1 1 A 47 47 ARG HA H 47 4.439 4.495 -0.056 1
1 482 . 2 1 1 A 47 47 ARG C C 47 178.830 177.212 1.618 1
1 483 . 2 1 1 A 47 47 ARG CA C 47 55.871 55.040 0.831 1
1 484 . 2 1 1 A 47 47 ARG CB C 47 30.838 31.952 -1.114 1
1 487 . 2 1 1 A 47 47 ARG N N 47 119.085 119.867 -0.782 1
1 488 . 2 1 1 A 48 48 GLU H H 48 9.642 8.792 0.850 1
1 489 . 2 1 1 A 48 48 GLU HA H 48 3.644 3.962 -0.318 1
1 494 . 2 1 1 A 48 48 GLU C C 48 178.515 178.570 -0.055 1
1 495 . 2 1 1 A 48 48 GLU CA C 48 61.612 59.851 1.761 1
1 496 . 2 1 1 A 48 48 GLU CB C 48 28.860 29.468 -0.608 1
1 498 . 2 1 1 A 48 48 GLU N N 48 125.963 123.178 2.785 1
1 499 . 2 1 1 A 49 49 GLU H H 49 9.638 8.213 1.425 1
1 500 . 2 1 1 A 49 49 GLU HA H 49 4.239 4.024 0.215 1
1 505 . 2 1 1 A 49 49 GLU C C 49 178.927 179.242 -0.315 1
1 506 . 2 1 1 A 49 49 GLU CA C 49 59.681 59.793 -0.112 1
1 507 . 2 1 1 A 49 49 GLU CB C 49 28.531 29.291 -0.760 1
1 509 . 2 1 1 A 49 49 GLU N N 49 118.929 120.107 -1.178 1
1 510 . 2 1 1 A 50 50 LYS H H 50 7.398 7.929 -0.531 1
1 511 . 2 1 1 A 50 50 LYS HA H 50 4.318 4.137 0.181 1
1 520 . 2 1 1 A 50 50 LYS C C 50 179.486 179.384 0.102 1
1 521 . 2 1 1 A 50 50 LYS CA C 50 58.084 59.613 -1.529 1
1 522 . 2 1 1 A 50 50 LYS CB C 50 32.487 32.512 -0.025 1
1 526 . 2 1 1 A 50 50 LYS N N 50 117.569 118.578 -1.009 1
1 527 . 2 1 1 A 51 51 VAL H H 51 7.614 8.121 -0.507 1
1 528 . 2 1 1 A 51 51 VAL HA H 51 3.739 3.530 0.209 1
1 536 . 2 1 1 A 51 51 VAL C C 51 177.641 177.888 -0.247 1
1 537 . 2 1 1 A 51 51 VAL CA C 51 66.900 67.169 -0.269 1
1 538 . 2 1 1 A 51 51 VAL CB C 51 31.876 31.385 0.491 1
1 541 . 2 1 1 A 51 51 VAL N N 51 120.291 120.377 -0.086 1
1 542 . 2 1 1 A 52 52 GLU H H 52 8.274 8.059 0.215 1
1 543 . 2 1 1 A 52 52 GLU HA H 52 4.198 3.832 0.366 1
1 547 . 2 1 1 A 52 52 GLU C C 52 179.073 178.503 0.570 1
1 548 . 2 1 1 A 52 52 GLU CA C 52 60.434 59.495 0.939 1
1 549 . 2 1 1 A 52 52 GLU CB C 52 29.073 29.709 -0.636 1
1 551 . 2 1 1 A 52 52 GLU N N 52 120.105 120.135 -0.030 1
1 552 . 2 1 1 A 53 53 VAL H H 53 7.936 7.890 0.046 1
1 553 . 2 1 1 A 53 53 VAL HA H 53 3.692 3.713 -0.021 1
1 561 . 2 1 1 A 53 53 VAL C C 53 177.592 178.165 -0.573 1
1 562 . 2 1 1 A 53 53 VAL CA C 53 66.935 66.637 0.298 1
1 563 . 2 1 1 A 53 53 VAL CB C 53 32.273 31.861 0.412 1
1 566 . 2 1 1 A 53 53 VAL N N 53 119.238 119.550 -0.312 1
1 567 . 2 1 1 A 54 54 TRP H H 54 8.321 8.050 0.271 1
1 568 . 2 1 1 A 54 54 TRP HA H 54 4.083 4.135 -0.052 1
1 577 . 2 1 1 A 54 54 TRP C C 54 179.802 178.123 1.679 1
1 578 . 2 1 1 A 54 54 TRP CA C 54 63.129 61.343 1.786 1
1 579 . 2 1 1 A 54 54 TRP CB C 54 28.635 29.500 -0.865 1
1 585 . 2 1 1 A 54 54 TRP N N 54 121.382 121.375 0.007 1
1 587 . 2 1 1 A 55 55 PHE H H 55 8.834 8.177 0.657 1
1 588 . 2 1 1 A 55 55 PHE HA H 55 3.676 3.736 -0.060 1
1 596 . 2 1 1 A 55 55 PHE C C 55 178.150 178.039 0.111 1
1 597 . 2 1 1 A 55 55 PHE CA C 55 64.096 61.844 2.252 1
1 598 . 2 1 1 A 55 55 PHE CB C 55 39.358 38.472 0.886 1
1 604 . 2 1 1 A 55 55 PHE N N 55 118.755 117.877 0.878 1
1 605 . 2 1 1 A 56 56 LYS H H 56 8.241 8.082 0.159 1
1 606 . 2 1 1 A 56 56 LYS HA H 56 3.977 3.869 0.108 1
1 612 . 2 1 1 A 56 56 LYS C C 56 180.166 179.831 0.335 1
1 613 . 2 1 1 A 56 56 LYS CA C 56 60.744 59.310 1.434 1
1 614 . 2 1 1 A 56 56 LYS CB C 56 32.322 32.347 -0.025 1
1 618 . 2 1 1 A 56 56 LYS N N 56 120.065 118.280 1.785 1
1 619 . 2 1 1 A 57 57 ASN H H 57 8.084 8.261 -0.177 1
1 620 . 2 1 1 A 57 57 ASN HA H 57 4.367 4.342 0.025 1
1 625 . 2 1 1 A 57 57 ASN C C 57 177.422 177.746 -0.324 1
1 626 . 2 1 1 A 57 57 ASN CA C 57 55.660 56.264 -0.604 1
1 627 . 2 1 1 A 57 57 ASN CB C 57 38.008 37.821 0.187 1
1 628 . 2 1 1 A 57 57 ASN N N 57 118.967 118.285 0.682 1
1 630 . 2 1 1 A 58 58 ARG H H 58 8.575 7.673 0.902 1
1 631 . 2 1 1 A 58 58 ARG HA H 58 3.463 3.666 -0.203 1
1 639 . 2 1 1 A 58 58 ARG C C 58 180.044 178.074 1.970 1
1 640 . 2 1 1 A 58 58 ARG CA C 58 56.568 59.317 -2.749 1
1 641 . 2 1 1 A 58 58 ARG CB C 58 28.155 29.146 -0.991 1
1 644 . 2 1 1 A 58 58 ARG N N 58 124.441 118.876 5.565 1
1 646 . 2 1 1 A 59 59 ARG H H 59 8.490 7.702 0.788 1
1 647 . 2 1 1 A 59 59 ARG HA H 59 4.334 4.114 0.220 1
1 653 . 2 1 1 A 59 59 ARG C C 59 178.223 178.474 -0.251 1
1 654 . 2 1 1 A 59 59 ARG CA C 59 60.699 59.270 1.429 1
1 655 . 2 1 1 A 59 59 ARG CB C 59 31.905 30.000 1.905 1
1 658 . 2 1 1 A 59 59 ARG N N 59 118.847 119.560 -0.713 1
1 659 . 2 1 1 A 60 60 ALA H H 60 7.459 7.911 -0.452 1
1 660 . 2 1 1 A 60 60 ALA HA H 60 4.225 4.101 0.124 1
1 664 . 2 1 1 A 60 60 ALA C C 60 179.680 179.777 -0.097 1
1 665 . 2 1 1 A 60 60 ALA CA C 60 55.051 54.937 0.114 1
1 666 . 2 1 1 A 60 60 ALA CB C 60 17.817 18.347 -0.530 1
1 667 . 2 1 1 A 60 60 ALA N N 60 121.387 120.800 0.587 1
1 668 . 2 1 1 A 61 61 LYS H H 61 7.452 8.006 -0.554 1
1 669 . 2 1 1 A 61 61 LYS HA H 61 4.042 4.065 -0.023 1
1 676 . 2 1 1 A 61 61 LYS C C 61 178.078 178.716 -0.638 1
1 677 . 2 1 1 A 61 61 LYS CA C 61 58.472 58.540 -0.068 1
1 678 . 2 1 1 A 61 61 LYS CB C 61 32.734 32.651 0.083 1
1 682 . 2 1 1 A 61 61 LYS N N 61 118.087 117.390 0.697 1
1 683 . 2 1 1 A 62 62 TRP H H 62 8.008 8.689 -0.681 1
1 684 . 2 1 1 A 62 62 TRP HA H 62 4.632 4.274 0.358 1
1 693 . 2 1 1 A 62 62 TRP C C 62 177.471 178.779 -1.308 1
1 694 . 2 1 1 A 62 62 TRP CA C 62 59.120 60.663 -1.543 1
1 695 . 2 1 1 A 62 62 TRP CB C 62 29.366 29.697 -0.331 1
1 701 . 2 1 1 A 62 62 TRP N N 62 121.749 121.951 -0.202 1
1 703 . 2 1 1 A 63 63 ARG H H 63 8.286 7.828 0.458 1
1 704 . 2 1 1 A 63 63 ARG HA H 63 3.736 3.315 0.421 1
1 711 . 2 1 1 A 63 63 ARG C C 63 176.888 178.369 -1.481 1
1 712 . 2 1 1 A 63 63 ARG CA C 63 57.385 58.569 -1.184 1
1 713 . 2 1 1 A 63 63 ARG CB C 63 30.726 29.561 1.165 1
1 716 . 2 1 1 A 63 63 ARG N N 63 119.622 118.541 1.081 1
1 717 . 2 1 1 A 64 64 ARG H H 64 7.670 7.348 0.322 1
1 718 . 2 1 1 A 64 64 ARG HA H 64 4.196 4.129 0.067 1
1 723 . 2 1 1 A 64 64 ARG C C 64 176.645 176.368 0.277 1
1 724 . 2 1 1 A 64 64 ARG CA C 64 56.956 58.521 -1.565 1
1 725 . 2 1 1 A 64 64 ARG CB C 64 30.369 30.307 0.062 1
1 728 . 2 1 1 A 64 64 ARG N N 64 119.096 118.383 0.713 1
1 729 . 2 1 1 A 65 65 SER H H 65 7.962 8.099 -0.137 1
1 730 . 2 1 1 A 65 65 SER HA H 65 4.474 4.762 -0.288 1
1 733 . 2 1 1 A 65 65 SER C C 65 174.435 173.153 1.282 1
1 734 . 2 1 1 A 65 65 SER CA C 65 58.837 56.553 2.284 1
1 735 . 2 1 1 A 65 65 SER CB C 65 63.947 66.102 -2.155 1
1 736 . 2 1 1 A 65 65 SER N N 65 115.352 111.609 3.743 1
1 737 . 2 1 1 A 66 66 GLY H H 66 8.031 8.068 -0.037 1
1 738 . 2 1 1 A 66 66 GLY HA2 H 66 4.068 4.009 0.059 1
1 739 . 2 1 1 A 66 66 GLY C C 66 171.813 174.594 -2.781 1
1 740 . 2 1 1 A 66 66 GLY CA C 66 44.800 45.503 -0.703 1
1 741 . 2 1 1 A 66 66 GLY N N 66 110.503 112.940 -2.437 1
1 742 . 2 1 1 A 67 67 PRO HA H 67 4.456 4.326 0.130 1
1 747 . 2 1 1 A 67 67 PRO CA C 67 63.352 64.318 -0.966 1
1 748 . 2 1 1 A 67 67 PRO CB C 67 32.167 31.720 0.447 1
1 751 . 2 1 1 A 68 68 SER HA H 68 4.457 4.099 0.358 1
1 754 . 2 1 1 A 68 68 SER C C 68 174.654 174.598 0.056 1
1 755 . 2 1 1 A 68 68 SER CA C 68 58.612 61.488 -2.876 1
1 756 . 2 1 1 A 68 68 SER CB C 68 63.845 62.988 0.857 1
1 757 . 2 1 1 A 69 69 SER HA H 69 4.491 4.816 -0.325 1
1 760 . 2 1 1 A 69 69 SER C C 69 173.925 175.354 -1.429 1
1 761 . 2 1 1 A 69 69 SER CA C 69 58.423 56.376 2.047 1
1 762 . 2 1 1 A 69 69 SER CB C 69 63.969 66.144 -2.175 1
1 1 . 3 1 1 A 10 10 HIS HA H 10 4.605 4.697 -0.092 1
1 5 . 3 1 1 A 10 10 HIS CA C 10 56.397 56.772 -0.375 1
1 6 . 3 1 1 A 10 10 HIS CB C 10 29.857 30.942 -1.085 1
1 8 . 3 1 1 A 12 12 THR HA H 12 4.305 4.455 -0.150 1
1 13 . 3 1 1 A 12 12 THR C C 12 173.925 174.135 -0.210 1
1 14 . 3 1 1 A 12 12 THR CA C 12 62.068 63.319 -1.251 1
1 15 . 3 1 1 A 12 12 THR CB C 12 69.817 69.090 0.727 1
1 17 . 3 1 1 A 13 13 ILE H H 13 8.188 8.596 -0.408 1
1 18 . 3 1 1 A 13 13 ILE HA H 13 4.139 4.547 -0.408 1
1 28 . 3 1 1 A 13 13 ILE C C 13 175.795 174.839 0.956 1
1 29 . 3 1 1 A 13 13 ILE CA C 13 61.202 61.973 -0.771 1
1 30 . 3 1 1 A 13 13 ILE CB C 13 38.686 38.983 -0.297 1
1 34 . 3 1 1 A 13 13 ILE N N 13 123.673 129.487 -5.814 1
1 35 . 3 1 1 A 14 14 PHE H H 14 8.178 9.091 -0.913 1
1 36 . 3 1 1 A 14 14 PHE HA H 14 4.977 5.129 -0.152 1
1 44 . 3 1 1 A 14 14 PHE C C 14 176.475 174.883 1.592 1
1 45 . 3 1 1 A 14 14 PHE CA C 14 57.025 56.376 0.649 1
1 46 . 3 1 1 A 14 14 PHE CB C 14 41.482 43.615 -2.133 1
1 52 . 3 1 1 A 14 14 PHE N N 14 122.586 127.022 -4.436 1
1 53 . 3 1 1 A 15 15 THR H H 15 8.792 8.423 0.369 1
1 54 . 3 1 1 A 15 15 THR HA H 15 4.462 4.640 -0.178 1
1 59 . 3 1 1 A 15 15 THR C C 15 175.261 175.385 -0.124 1
1 60 . 3 1 1 A 15 15 THR CA C 15 60.623 60.369 0.254 1
1 61 . 3 1 1 A 15 15 THR CB C 15 70.645 70.306 0.339 1
1 63 . 3 1 1 A 15 15 THR N N 15 113.201 114.931 -1.730 1
1 64 . 3 1 1 A 16 16 ASP H H 16 9.018 9.360 -0.342 1
1 65 . 3 1 1 A 16 16 ASP HA H 16 4.371 4.331 0.040 1
1 68 . 3 1 1 A 16 16 ASP C C 16 178.806 178.070 0.736 1
1 69 . 3 1 1 A 16 16 ASP CA C 16 58.163 57.212 0.951 1
1 70 . 3 1 1 A 16 16 ASP CB C 16 39.689 40.152 -0.463 1
1 71 . 3 1 1 A 16 16 ASP N N 16 121.802 127.324 -5.522 1
1 72 . 3 1 1 A 17 17 GLU H H 17 8.785 8.373 0.412 1
1 73 . 3 1 1 A 17 17 GLU HA H 17 4.054 3.968 0.086 1
1 78 . 3 1 1 A 17 17 GLU C C 17 180.044 179.023 1.021 1
1 79 . 3 1 1 A 17 17 GLU CA C 17 59.706 59.795 -0.089 1
1 80 . 3 1 1 A 17 17 GLU CB C 17 29.520 28.982 0.538 1
1 82 . 3 1 1 A 17 17 GLU N N 17 119.474 119.116 0.358 1
1 83 . 3 1 1 A 18 18 GLN H H 18 7.700 7.982 -0.282 1
1 84 . 3 1 1 A 18 18 GLN HA H 18 3.665 3.904 -0.239 1
1 91 . 3 1 1 A 18 18 GLN C C 18 177.009 178.679 -1.670 1
1 92 . 3 1 1 A 18 18 GLN CA C 18 59.354 59.180 0.174 1
1 93 . 3 1 1 A 18 18 GLN CB C 18 27.377 28.555 -1.178 1
1 95 . 3 1 1 A 18 18 GLN N N 18 119.784 118.745 1.039 1
1 97 . 3 1 1 A 19 19 LEU H H 19 8.383 8.232 0.151 1
1 98 . 3 1 1 A 19 19 LEU HA H 19 3.585 3.634 -0.049 1
1 108 . 3 1 1 A 19 19 LEU C C 19 178.830 178.564 0.266 1
1 109 . 3 1 1 A 19 19 LEU CA C 19 57.908 57.854 0.054 1
1 110 . 3 1 1 A 19 19 LEU CB C 19 41.703 41.422 0.281 1
1 114 . 3 1 1 A 19 19 LEU N N 19 117.889 120.176 -2.287 1
1 115 . 3 1 1 A 20 20 GLU H H 20 8.119 8.684 -0.565 1
1 116 . 3 1 1 A 20 20 GLU HA H 20 3.897 3.906 -0.009 1
1 121 . 3 1 1 A 20 20 GLU C C 20 178.126 178.502 -0.376 1
1 122 . 3 1 1 A 20 20 GLU CA C 20 59.248 59.373 -0.125 1
1 123 . 3 1 1 A 20 20 GLU CB C 20 29.697 29.227 0.470 1
1 125 . 3 1 1 A 20 20 GLU N N 20 118.697 119.951 -1.254 1
1 126 . 3 1 1 A 21 21 ALA H H 21 7.309 7.794 -0.485 1
1 127 . 3 1 1 A 21 21 ALA HA H 21 4.057 4.088 -0.031 1
1 131 . 3 1 1 A 21 21 ALA C C 21 180.773 179.768 1.005 1
1 132 . 3 1 1 A 21 21 ALA CA C 21 54.947 55.107 -0.160 1
1 133 . 3 1 1 A 21 21 ALA CB C 21 18.888 18.478 0.410 1
1 134 . 3 1 1 A 21 21 ALA N N 21 120.540 121.076 -0.536 1
1 135 . 3 1 1 A 22 22 LEU H H 22 8.070 8.212 -0.142 1
1 136 . 3 1 1 A 22 22 LEU HA H 22 3.428 3.834 -0.406 1
1 146 . 3 1 1 A 22 22 LEU C C 22 177.131 178.649 -1.518 1
1 147 . 3 1 1 A 22 22 LEU CA C 22 58.408 57.818 0.590 1
1 148 . 3 1 1 A 22 22 LEU CB C 22 38.173 40.719 -2.546 1
1 152 . 3 1 1 A 22 22 LEU N N 22 121.563 117.950 3.613 1
1 153 . 3 1 1 A 23 23 GLU H H 23 7.997 8.103 -0.106 1
1 154 . 3 1 1 A 23 23 GLU HA H 23 4.289 4.083 0.206 1
1 159 . 3 1 1 A 23 23 GLU C C 23 179.510 179.664 -0.154 1
1 160 . 3 1 1 A 23 23 GLU CA C 23 58.734 59.983 -1.249 1
1 161 . 3 1 1 A 23 23 GLU CB C 23 28.879 29.361 -0.482 1
1 163 . 3 1 1 A 23 23 GLU N N 23 118.641 117.548 1.093 1
1 164 . 3 1 1 A 24 24 ASN H H 24 8.282 8.527 -0.245 1
1 165 . 3 1 1 A 24 24 ASN HA H 24 4.443 4.515 -0.072 1
1 170 . 3 1 1 A 24 24 ASN C C 24 178.563 178.078 0.485 1
1 171 . 3 1 1 A 24 24 ASN CA C 24 56.145 56.572 -0.427 1
1 172 . 3 1 1 A 24 24 ASN CB C 24 38.055 38.530 -0.475 1
1 173 . 3 1 1 A 24 24 ASN N N 24 117.495 118.169 -0.674 1
1 175 . 3 1 1 A 25 25 LEU H H 25 7.852 8.071 -0.219 1
1 176 . 3 1 1 A 25 25 LEU HA H 25 4.445 4.219 0.226 1
1 186 . 3 1 1 A 25 25 LEU C C 25 177.276 178.424 -1.148 1
1 187 . 3 1 1 A 25 25 LEU CA C 25 57.963 57.727 0.236 1
1 188 . 3 1 1 A 25 25 LEU CB C 25 40.400 41.955 -1.555 1
1 192 . 3 1 1 A 25 25 LEU N N 25 121.261 120.970 0.291 1
1 193 . 3 1 1 A 26 26 PHE H H 26 8.711 8.830 -0.119 1
1 194 . 3 1 1 A 26 26 PHE HA H 26 4.628 4.372 0.256 1
1 202 . 3 1 1 A 26 26 PHE C C 26 176.232 177.524 -1.292 1
1 203 . 3 1 1 A 26 26 PHE CA C 26 61.011 61.579 -0.568 1
1 204 . 3 1 1 A 26 26 PHE CB C 26 38.906 38.995 -0.089 1
1 210 . 3 1 1 A 26 26 PHE N N 26 120.816 119.538 1.278 1
1 211 . 3 1 1 A 27 27 GLN H H 27 8.007 8.295 -0.288 1
1 212 . 3 1 1 A 27 27 GLN HA H 27 3.665 3.638 0.027 1
1 219 . 3 1 1 A 27 27 GLN C C 27 177.106 178.211 -1.105 1
1 220 . 3 1 1 A 27 27 GLN CA C 27 57.892 59.069 -1.177 1
1 221 . 3 1 1 A 27 27 GLN CB C 27 28.195 28.299 -0.104 1
1 223 . 3 1 1 A 27 27 GLN N N 27 114.037 117.842 -3.805 1
1 225 . 3 1 1 A 28 28 GLU H H 28 7.467 8.182 -0.715 1
1 226 . 3 1 1 A 28 28 GLU HA H 28 4.190 4.125 0.065 1
1 231 . 3 1 1 A 28 28 GLU C C 28 177.106 176.140 0.966 1
1 232 . 3 1 1 A 28 28 GLU CA C 28 58.138 58.900 -0.762 1
1 233 . 3 1 1 A 28 28 GLU CB C 28 30.756 29.165 1.591 1
1 235 . 3 1 1 A 28 28 GLU N N 28 119.193 117.739 1.454 1
1 236 . 3 1 1 A 29 29 THR H H 29 8.971 8.029 0.942 1
1 237 . 3 1 1 A 29 29 THR HA H 29 4.321 4.618 -0.297 1
1 242 . 3 1 1 A 29 29 THR C C 29 170.526 174.444 -3.918 1
1 243 . 3 1 1 A 29 29 THR CA C 29 59.885 60.382 -0.497 1
1 244 . 3 1 1 A 29 29 THR CB C 29 69.656 70.997 -1.341 1
1 246 . 3 1 1 A 29 29 THR N N 29 116.904 113.400 3.504 1
1 247 . 3 1 1 A 30 30 LYS H H 30 7.942 8.496 -0.554 1
1 248 . 3 1 1 A 30 30 LYS HA H 30 3.765 3.787 -0.022 1
1 257 . 3 1 1 A 30 30 LYS C C 30 175.844 176.726 -0.882 1
1 258 . 3 1 1 A 30 30 LYS CA C 30 56.583 59.175 -2.592 1
1 259 . 3 1 1 A 30 30 LYS CB C 30 32.421 32.810 -0.389 1
1 263 . 3 1 1 A 30 30 LYS N N 30 123.132 127.565 -4.433 1
1 264 . 3 1 1 A 31 31 TYR H H 31 7.788 8.044 -0.256 1
1 265 . 3 1 1 A 31 31 TYR HA H 31 4.608 5.176 -0.568 1
1 272 . 3 1 1 A 31 31 TYR C C 31 172.687 173.298 -0.611 1
1 273 . 3 1 1 A 31 31 TYR CA C 31 54.864 54.624 0.240 1
1 274 . 3 1 1 A 31 31 TYR CB C 31 38.777 39.028 -0.251 1
1 279 . 3 1 1 A 31 31 TYR N N 31 113.626 117.022 -3.396 1
1 280 . 3 1 1 A 32 32 PRO HA H 32 4.399 4.601 -0.202 1
1 287 . 3 1 1 A 32 32 PRO C C 32 177.203 175.294 1.909 1
1 288 . 3 1 1 A 32 32 PRO CA C 32 62.668 62.340 0.328 1
1 289 . 3 1 1 A 32 32 PRO CB C 32 31.394 32.806 -1.412 1
1 292 . 3 1 1 A 33 33 ASP H H 33 8.548 8.517 0.031 1
1 293 . 3 1 1 A 33 33 ASP HA H 33 4.473 4.962 -0.489 1
1 296 . 3 1 1 A 33 33 ASP C C 33 175.989 177.401 -1.412 1
1 297 . 3 1 1 A 33 33 ASP CA C 33 52.775 52.935 -0.160 1
1 298 . 3 1 1 A 33 33 ASP CB C 33 41.295 42.499 -1.204 1
1 299 . 3 1 1 A 33 33 ASP N N 33 123.152 120.550 2.602 1
1 300 . 3 1 1 A 34 34 VAL H H 34 8.493 8.528 -0.035 1
1 301 . 3 1 1 A 34 34 VAL HA H 34 3.522 3.757 -0.235 1
1 309 . 3 1 1 A 34 34 VAL C C 34 177.203 177.966 -0.763 1
1 310 . 3 1 1 A 34 34 VAL CA C 34 66.618 65.768 0.850 1
1 311 . 3 1 1 A 34 34 VAL CB C 34 31.697 31.656 0.041 1
1 314 . 3 1 1 A 34 34 VAL N N 34 119.474 125.371 -5.897 1
1 315 . 3 1 1 A 35 35 GLY H H 35 8.389 8.167 0.222 1
1 316 . 3 1 1 A 35 35 GLY HA2 H 35 3.901 3.816 0.085 1
1 317 . 3 1 1 A 35 35 GLY HA3 H 35 3.901 3.819 0.082 1
1 318 . 3 1 1 A 35 35 GLY C C 35 176.985 176.593 0.392 1
1 319 . 3 1 1 A 35 35 GLY CA C 35 46.976 47.491 -0.515 1
1 320 . 3 1 1 A 35 35 GLY N N 35 109.478 108.668 0.810 1
1 321 . 3 1 1 A 36 36 THR H H 36 8.142 7.877 0.265 1
1 322 . 3 1 1 A 36 36 THR HA H 36 3.918 4.018 -0.100 1
1 327 . 3 1 1 A 36 36 THR C C 36 177.616 176.614 1.002 1
1 328 . 3 1 1 A 36 36 THR CA C 36 66.957 66.118 0.839 1
1 329 . 3 1 1 A 36 36 THR CB C 36 67.887 68.134 -0.247 1
1 331 . 3 1 1 A 36 36 THR N N 36 121.210 117.895 3.315 1
1 332 . 3 1 1 A 37 37 ARG H H 37 8.396 8.341 0.055 1
1 333 . 3 1 1 A 37 37 ARG HA H 37 3.712 3.909 -0.197 1
1 341 . 3 1 1 A 37 37 ARG C C 37 177.980 178.833 -0.853 1
1 342 . 3 1 1 A 37 37 ARG CA C 37 61.187 59.455 1.732 1
1 343 . 3 1 1 A 37 37 ARG CB C 37 31.250 29.877 1.373 1
1 346 . 3 1 1 A 37 37 ARG N N 37 121.196 120.188 1.008 1
1 348 . 3 1 1 A 38 38 GLU H H 38 8.843 8.326 0.517 1
1 349 . 3 1 1 A 38 38 GLU HA H 38 3.905 4.087 -0.182 1
1 354 . 3 1 1 A 38 38 GLU C C 38 178.636 179.189 -0.553 1
1 355 . 3 1 1 A 38 38 GLU CA C 38 59.797 58.918 0.879 1
1 356 . 3 1 1 A 38 38 GLU CB C 38 29.529 29.179 0.350 1
1 358 . 3 1 1 A 38 38 GLU N N 38 119.875 119.504 0.371 1
1 359 . 3 1 1 A 39 39 GLN H H 39 7.939 7.569 0.370 1
1 360 . 3 1 1 A 39 39 GLN HA H 39 3.977 4.002 -0.025 1
1 367 . 3 1 1 A 39 39 GLN C C 39 178.782 178.003 0.779 1
1 368 . 3 1 1 A 39 39 GLN CA C 39 59.078 58.809 0.269 1
1 369 . 3 1 1 A 39 39 GLN CB C 39 28.426 28.386 0.040 1
1 371 . 3 1 1 A 39 39 GLN N N 39 118.456 119.109 -0.653 1
1 373 . 3 1 1 A 40 40 LEU H H 40 7.515 8.535 -1.020 1
1 374 . 3 1 1 A 40 40 LEU HA H 40 4.129 4.052 0.077 1
1 384 . 3 1 1 A 40 40 LEU C C 40 178.150 178.016 0.134 1
1 385 . 3 1 1 A 40 40 LEU CA C 40 58.273 58.176 0.097 1
1 386 . 3 1 1 A 40 40 LEU CB C 40 41.194 41.615 -0.421 1
1 390 . 3 1 1 A 40 40 LEU N N 40 121.414 122.266 -0.852 1
1 391 . 3 1 1 A 41 41 ALA H H 41 8.577 8.549 0.028 1
1 392 . 3 1 1 A 41 41 ALA HA H 41 3.650 4.032 -0.382 1
1 396 . 3 1 1 A 41 41 ALA C C 41 179.559 180.316 -0.757 1
1 397 . 3 1 1 A 41 41 ALA CA C 41 55.925 55.534 0.391 1
1 398 . 3 1 1 A 41 41 ALA CB C 41 17.487 18.597 -1.110 1
1 399 . 3 1 1 A 41 41 ALA N N 41 121.362 120.847 0.515 1
1 400 . 3 1 1 A 42 42 ARG H H 42 7.986 7.785 0.201 1
1 401 . 3 1 1 A 42 42 ARG HA H 42 4.083 3.999 0.084 1
1 408 . 3 1 1 A 42 42 ARG C C 42 179.000 178.496 0.504 1
1 409 . 3 1 1 A 42 42 ARG CA C 42 58.578 59.631 -1.053 1
1 410 . 3 1 1 A 42 42 ARG CB C 42 30.495 29.971 0.524 1
1 413 . 3 1 1 A 42 42 ARG N N 42 114.579 117.549 -2.970 1
1 414 . 3 1 1 A 43 43 LYS H H 43 7.706 7.684 0.022 1
1 415 . 3 1 1 A 43 43 LYS HA H 43 4.023 3.964 0.059 1
1 424 . 3 1 1 A 43 43 LYS C C 43 178.248 178.373 -0.125 1
1 425 . 3 1 1 A 43 43 LYS CA C 43 59.177 58.853 0.324 1
1 426 . 3 1 1 A 43 43 LYS CB C 43 33.134 32.400 0.734 1
1 430 . 3 1 1 A 43 43 LYS N N 43 119.896 119.847 0.049 1
1 431 . 3 1 1 A 44 44 VAL H H 44 7.681 7.822 -0.141 1
1 432 . 3 1 1 A 44 44 VAL HA H 44 4.522 4.318 0.204 1
1 440 . 3 1 1 A 44 44 VAL C C 44 174.654 174.867 -0.213 1
1 441 . 3 1 1 A 44 44 VAL CA C 44 59.912 61.439 -1.527 1
1 442 . 3 1 1 A 44 44 VAL CB C 44 30.979 31.540 -0.561 1
1 445 . 3 1 1 A 44 44 VAL N N 44 105.042 110.459 -5.417 1
1 446 . 3 1 1 A 45 45 HIS H H 45 7.398 7.636 -0.238 1
1 447 . 3 1 1 A 45 45 HIS HA H 45 4.293 4.167 0.126 1
1 451 . 3 1 1 A 45 45 HIS C C 45 174.144 173.914 0.230 1
1 452 . 3 1 1 A 45 45 HIS CA C 45 56.956 56.629 0.327 1
1 453 . 3 1 1 A 45 45 HIS CB C 45 26.353 26.575 -0.222 1
1 455 . 3 1 1 A 45 45 HIS N N 45 117.892 115.985 1.907 1
1 456 . 3 1 1 A 46 46 LEU H H 46 8.571 7.911 0.660 1
1 457 . 3 1 1 A 46 46 LEU HA H 46 4.855 4.886 -0.031 1
1 467 . 3 1 1 A 46 46 LEU C C 46 176.256 175.060 1.196 1
1 468 . 3 1 1 A 46 46 LEU CA C 46 52.689 53.336 -0.647 1
1 469 . 3 1 1 A 46 46 LEU CB C 46 47.746 45.717 2.029 1
1 473 . 3 1 1 A 46 46 LEU N N 46 119.288 118.626 0.662 1
1 474 . 3 1 1 A 47 47 ARG H H 47 7.979 8.681 -0.702 1
1 475 . 3 1 1 A 47 47 ARG HA H 47 4.439 4.516 -0.077 1
1 482 . 3 1 1 A 47 47 ARG C C 47 178.830 177.323 1.507 1
1 483 . 3 1 1 A 47 47 ARG CA C 47 55.871 54.802 1.069 1
1 484 . 3 1 1 A 47 47 ARG CB C 47 30.838 31.955 -1.117 1
1 487 . 3 1 1 A 47 47 ARG N N 47 119.085 119.903 -0.818 1
1 488 . 3 1 1 A 48 48 GLU H H 48 9.642 8.870 0.772 1
1 489 . 3 1 1 A 48 48 GLU HA H 48 3.644 3.941 -0.297 1
1 494 . 3 1 1 A 48 48 GLU C C 48 178.515 178.264 0.251 1
1 495 . 3 1 1 A 48 48 GLU CA C 48 61.612 59.515 2.097 1
1 496 . 3 1 1 A 48 48 GLU CB C 48 28.860 29.311 -0.451 1
1 498 . 3 1 1 A 48 48 GLU N N 48 125.963 122.993 2.970 1
1 499 . 3 1 1 A 49 49 GLU H H 49 9.638 8.417 1.221 1
1 500 . 3 1 1 A 49 49 GLU HA H 49 4.239 4.057 0.182 1
1 505 . 3 1 1 A 49 49 GLU C C 49 178.927 178.894 0.033 1
1 506 . 3 1 1 A 49 49 GLU CA C 49 59.681 59.379 0.302 1
1 507 . 3 1 1 A 49 49 GLU CB C 49 28.531 29.389 -0.858 1
1 509 . 3 1 1 A 49 49 GLU N N 49 118.929 118.380 0.549 1
1 510 . 3 1 1 A 50 50 LYS H H 50 7.398 8.077 -0.679 1
1 511 . 3 1 1 A 50 50 LYS HA H 50 4.318 4.112 0.206 1
1 520 . 3 1 1 A 50 50 LYS C C 50 179.486 179.211 0.275 1
1 521 . 3 1 1 A 50 50 LYS CA C 50 58.084 59.446 -1.362 1
1 522 . 3 1 1 A 50 50 LYS CB C 50 32.487 32.445 0.042 1
1 526 . 3 1 1 A 50 50 LYS N N 50 117.569 119.851 -2.282 1
1 527 . 3 1 1 A 51 51 VAL H H 51 7.614 8.087 -0.473 1
1 528 . 3 1 1 A 51 51 VAL HA H 51 3.739 3.704 0.035 1
1 536 . 3 1 1 A 51 51 VAL C C 51 177.641 178.060 -0.419 1
1 537 . 3 1 1 A 51 51 VAL CA C 51 66.900 66.920 -0.020 1
1 538 . 3 1 1 A 51 51 VAL CB C 51 31.876 31.436 0.440 1
1 541 . 3 1 1 A 51 51 VAL N N 51 120.291 120.425 -0.134 1
1 542 . 3 1 1 A 52 52 GLU H H 52 8.274 7.787 0.487 1
1 543 . 3 1 1 A 52 52 GLU HA H 52 4.198 3.842 0.356 1
1 547 . 3 1 1 A 52 52 GLU C C 52 179.073 178.604 0.469 1
1 548 . 3 1 1 A 52 52 GLU CA C 52 60.434 59.347 1.087 1
1 549 . 3 1 1 A 52 52 GLU CB C 52 29.073 29.620 -0.547 1
1 551 . 3 1 1 A 52 52 GLU N N 52 120.105 120.579 -0.474 1
1 552 . 3 1 1 A 53 53 VAL H H 53 7.936 7.891 0.045 1
1 553 . 3 1 1 A 53 53 VAL HA H 53 3.692 3.698 -0.006 1
1 561 . 3 1 1 A 53 53 VAL C C 53 177.592 178.221 -0.629 1
1 562 . 3 1 1 A 53 53 VAL CA C 53 66.935 66.606 0.329 1
1 563 . 3 1 1 A 53 53 VAL CB C 53 32.273 31.806 0.467 1
1 566 . 3 1 1 A 53 53 VAL N N 53 119.238 119.542 -0.304 1
1 567 . 3 1 1 A 54 54 TRP H H 54 8.321 8.091 0.230 1
1 568 . 3 1 1 A 54 54 TRP HA H 54 4.083 4.144 -0.061 1
1 577 . 3 1 1 A 54 54 TRP C C 54 179.802 178.381 1.421 1
1 578 . 3 1 1 A 54 54 TRP CA C 54 63.129 61.520 1.609 1
1 579 . 3 1 1 A 54 54 TRP CB C 54 28.635 29.617 -0.982 1
1 585 . 3 1 1 A 54 54 TRP N N 54 121.382 121.313 0.069 1
1 587 . 3 1 1 A 55 55 PHE H H 55 8.834 8.281 0.553 1
1 588 . 3 1 1 A 55 55 PHE HA H 55 3.676 3.724 -0.048 1
1 596 . 3 1 1 A 55 55 PHE C C 55 178.150 177.845 0.305 1
1 597 . 3 1 1 A 55 55 PHE CA C 55 64.096 61.618 2.478 1
1 598 . 3 1 1 A 55 55 PHE CB C 55 39.358 38.847 0.511 1
1 604 . 3 1 1 A 55 55 PHE N N 55 118.755 117.913 0.842 1
1 605 . 3 1 1 A 56 56 LYS H H 56 8.241 8.321 -0.080 1
1 606 . 3 1 1 A 56 56 LYS HA H 56 3.977 3.792 0.185 1
1 612 . 3 1 1 A 56 56 LYS C C 56 180.166 179.015 1.151 1
1 613 . 3 1 1 A 56 56 LYS CA C 56 60.744 59.601 1.143 1
1 614 . 3 1 1 A 56 56 LYS CB C 56 32.322 32.224 0.098 1
1 618 . 3 1 1 A 56 56 LYS N N 56 120.065 117.962 2.103 1
1 619 . 3 1 1 A 57 57 ASN H H 57 8.084 8.224 -0.140 1
1 620 . 3 1 1 A 57 57 ASN HA H 57 4.367 4.297 0.070 1
1 625 . 3 1 1 A 57 57 ASN C C 57 177.422 177.623 -0.201 1
1 626 . 3 1 1 A 57 57 ASN CA C 57 55.660 56.343 -0.683 1
1 627 . 3 1 1 A 57 57 ASN CB C 57 38.008 38.034 -0.026 1
1 628 . 3 1 1 A 57 57 ASN N N 57 118.967 117.984 0.983 1
1 630 . 3 1 1 A 58 58 ARG H H 58 8.575 7.806 0.769 1
1 631 . 3 1 1 A 58 58 ARG HA H 58 3.463 3.584 -0.121 1
1 639 . 3 1 1 A 58 58 ARG C C 58 180.044 178.530 1.514 1
1 640 . 3 1 1 A 58 58 ARG CA C 58 56.568 59.520 -2.952 1
1 641 . 3 1 1 A 58 58 ARG CB C 58 28.155 28.890 -0.735 1
1 644 . 3 1 1 A 58 58 ARG N N 58 124.441 118.371 6.070 1
1 646 . 3 1 1 A 59 59 ARG H H 59 8.490 7.638 0.852 1
1 647 . 3 1 1 A 59 59 ARG HA H 59 4.334 4.171 0.163 1
1 653 . 3 1 1 A 59 59 ARG C C 59 178.223 178.570 -0.347 1
1 654 . 3 1 1 A 59 59 ARG CA C 59 60.699 59.188 1.511 1
1 655 . 3 1 1 A 59 59 ARG CB C 59 31.905 30.239 1.666 1
1 658 . 3 1 1 A 59 59 ARG N N 59 118.847 119.151 -0.304 1
1 659 . 3 1 1 A 60 60 ALA H H 60 7.459 8.456 -0.997 1
1 660 . 3 1 1 A 60 60 ALA HA H 60 4.225 4.154 0.071 1
1 664 . 3 1 1 A 60 60 ALA C C 60 179.680 179.367 0.313 1
1 665 . 3 1 1 A 60 60 ALA CA C 60 55.051 55.229 -0.178 1
1 666 . 3 1 1 A 60 60 ALA CB C 60 17.817 18.319 -0.502 1
1 667 . 3 1 1 A 60 60 ALA N N 60 121.387 121.542 -0.155 1
1 668 . 3 1 1 A 61 61 LYS H H 61 7.452 7.952 -0.500 1
1 669 . 3 1 1 A 61 61 LYS HA H 61 4.042 4.055 -0.013 1
1 676 . 3 1 1 A 61 61 LYS C C 61 178.078 178.302 -0.224 1
1 677 . 3 1 1 A 61 61 LYS CA C 61 58.472 59.545 -1.073 1
1 678 . 3 1 1 A 61 61 LYS CB C 61 32.734 32.206 0.528 1
1 682 . 3 1 1 A 61 61 LYS N N 61 118.087 118.271 -0.184 1
1 683 . 3 1 1 A 62 62 TRP H H 62 8.008 8.140 -0.132 1
1 684 . 3 1 1 A 62 62 TRP HA H 62 4.632 4.287 0.345 1
1 693 . 3 1 1 A 62 62 TRP C C 62 177.471 178.007 -0.536 1
1 694 . 3 1 1 A 62 62 TRP CA C 62 59.120 60.997 -1.877 1
1 695 . 3 1 1 A 62 62 TRP CB C 62 29.366 30.137 -0.771 1
1 701 . 3 1 1 A 62 62 TRP N N 62 121.749 121.650 0.099 1
1 703 . 3 1 1 A 63 63 ARG H H 63 8.286 8.598 -0.312 1
1 704 . 3 1 1 A 63 63 ARG HA H 63 3.736 3.092 0.644 1
1 711 . 3 1 1 A 63 63 ARG C C 63 176.888 178.309 -1.421 1
1 712 . 3 1 1 A 63 63 ARG CA C 63 57.385 58.578 -1.193 1
1 713 . 3 1 1 A 63 63 ARG CB C 63 30.726 30.057 0.669 1
1 716 . 3 1 1 A 63 63 ARG N N 63 119.622 118.709 0.913 1
1 717 . 3 1 1 A 64 64 ARG H H 64 7.670 8.022 -0.352 1
1 718 . 3 1 1 A 64 64 ARG HA H 64 4.196 3.998 0.198 1
1 723 . 3 1 1 A 64 64 ARG C C 64 176.645 176.808 -0.163 1
1 724 . 3 1 1 A 64 64 ARG CA C 64 56.956 59.167 -2.211 1
1 725 . 3 1 1 A 64 64 ARG CB C 64 30.369 29.902 0.467 1
1 728 . 3 1 1 A 64 64 ARG N N 64 119.096 120.030 -0.934 1
1 729 . 3 1 1 A 65 65 SER H H 65 7.962 7.810 0.152 1
1 730 . 3 1 1 A 65 65 SER HA H 65 4.474 4.347 0.127 1
1 733 . 3 1 1 A 65 65 SER C C 65 174.435 175.304 -0.869 1
1 734 . 3 1 1 A 65 65 SER CA C 65 58.837 59.454 -0.617 1
1 735 . 3 1 1 A 65 65 SER CB C 65 63.947 64.326 -0.379 1
1 736 . 3 1 1 A 65 65 SER N N 65 115.352 114.789 0.563 1
1 737 . 3 1 1 A 66 66 GLY H H 66 8.031 8.951 -0.920 1
1 738 . 3 1 1 A 66 66 GLY HA2 H 66 4.068 3.844 0.224 1
1 739 . 3 1 1 A 66 66 GLY C C 66 171.813 175.215 -3.402 1
1 740 . 3 1 1 A 66 66 GLY CA C 66 44.800 46.598 -1.798 1
1 741 . 3 1 1 A 66 66 GLY N N 66 110.503 112.265 -1.762 1
1 742 . 3 1 1 A 67 67 PRO HA H 67 4.456 4.445 0.011 1
1 747 . 3 1 1 A 67 67 PRO CA C 67 63.352 63.691 -0.339 1
1 748 . 3 1 1 A 67 67 PRO CB C 67 32.167 32.077 0.090 1
1 751 . 3 1 1 A 68 68 SER HA H 68 4.457 4.344 0.113 1
1 754 . 3 1 1 A 68 68 SER C C 68 174.654 174.612 0.042 1
1 755 . 3 1 1 A 68 68 SER CA C 68 58.612 58.185 0.427 1
1 756 . 3 1 1 A 68 68 SER CB C 68 63.845 63.620 0.225 1
1 757 . 3 1 1 A 69 69 SER HA H 69 4.491 5.017 -0.526 1
1 760 . 3 1 1 A 69 69 SER C C 69 173.925 174.773 -0.848 1
1 761 . 3 1 1 A 69 69 SER CA C 69 58.423 55.962 2.461 1
1 762 . 3 1 1 A 69 69 SER CB C 69 63.969 65.881 -1.912 1
1 1 . 4 1 1 A 10 10 HIS HA H 10 4.605 4.944 -0.339 1
1 5 . 4 1 1 A 10 10 HIS CA C 10 56.397 54.371 2.026 1
1 6 . 4 1 1 A 10 10 HIS CB C 10 29.857 33.464 -3.607 1
1 8 . 4 1 1 A 12 12 THR HA H 12 4.305 4.894 -0.589 1
1 13 . 4 1 1 A 12 12 THR C C 12 173.925 172.087 1.838 1
1 14 . 4 1 1 A 12 12 THR CA C 12 62.068 60.168 1.900 1
1 15 . 4 1 1 A 12 12 THR CB C 12 69.817 71.432 -1.615 1
1 17 . 4 1 1 A 13 13 ILE H H 13 8.188 8.128 0.060 1
1 18 . 4 1 1 A 13 13 ILE HA H 13 4.139 4.511 -0.372 1
1 28 . 4 1 1 A 13 13 ILE C C 13 175.795 172.965 2.830 1
1 29 . 4 1 1 A 13 13 ILE CA C 13 61.202 59.701 1.501 1
1 30 . 4 1 1 A 13 13 ILE CB C 13 38.686 41.492 -2.806 1
1 34 . 4 1 1 A 13 13 ILE N N 13 123.673 125.334 -1.661 1
1 35 . 4 1 1 A 14 14 PHE H H 14 8.178 8.947 -0.769 1
1 36 . 4 1 1 A 14 14 PHE HA H 14 4.977 5.438 -0.461 1
1 44 . 4 1 1 A 14 14 PHE C C 14 176.475 175.390 1.085 1
1 45 . 4 1 1 A 14 14 PHE CA C 14 57.025 56.318 0.707 1
1 46 . 4 1 1 A 14 14 PHE CB C 14 41.482 43.731 -2.249 1
1 52 . 4 1 1 A 14 14 PHE N N 14 122.586 125.826 -3.240 1
1 53 . 4 1 1 A 15 15 THR H H 15 8.792 8.846 -0.054 1
1 54 . 4 1 1 A 15 15 THR HA H 15 4.462 4.747 -0.285 1
1 59 . 4 1 1 A 15 15 THR C C 15 175.261 175.700 -0.439 1
1 60 . 4 1 1 A 15 15 THR CA C 15 60.623 60.234 0.389 1
1 61 . 4 1 1 A 15 15 THR CB C 15 70.645 71.538 -0.893 1
1 63 . 4 1 1 A 15 15 THR N N 15 113.201 113.945 -0.744 1
1 64 . 4 1 1 A 16 16 ASP H H 16 9.018 9.180 -0.162 1
1 65 . 4 1 1 A 16 16 ASP HA H 16 4.371 4.334 0.037 1
1 68 . 4 1 1 A 16 16 ASP C C 16 178.806 178.434 0.372 1
1 69 . 4 1 1 A 16 16 ASP CA C 16 58.163 57.179 0.984 1
1 70 . 4 1 1 A 16 16 ASP CB C 16 39.689 39.988 -0.299 1
1 71 . 4 1 1 A 16 16 ASP N N 16 121.802 121.383 0.419 1
1 72 . 4 1 1 A 17 17 GLU H H 17 8.785 8.336 0.449 1
1 73 . 4 1 1 A 17 17 GLU HA H 17 4.054 4.010 0.044 1
1 78 . 4 1 1 A 17 17 GLU C C 17 180.044 178.850 1.194 1
1 79 . 4 1 1 A 17 17 GLU CA C 17 59.706 59.584 0.122 1
1 80 . 4 1 1 A 17 17 GLU CB C 17 29.520 29.137 0.383 1
1 82 . 4 1 1 A 17 17 GLU N N 17 119.474 119.475 -0.001 1
1 83 . 4 1 1 A 18 18 GLN H H 18 7.700 7.667 0.033 1
1 84 . 4 1 1 A 18 18 GLN HA H 18 3.665 3.881 -0.216 1
1 91 . 4 1 1 A 18 18 GLN C C 18 177.009 178.754 -1.745 1
1 92 . 4 1 1 A 18 18 GLN CA C 18 59.354 58.887 0.467 1
1 93 . 4 1 1 A 18 18 GLN CB C 18 27.377 28.162 -0.785 1
1 95 . 4 1 1 A 18 18 GLN N N 18 119.784 118.901 0.883 1
1 97 . 4 1 1 A 19 19 LEU H H 19 8.383 8.580 -0.197 1
1 98 . 4 1 1 A 19 19 LEU HA H 19 3.585 3.643 -0.058 1
1 108 . 4 1 1 A 19 19 LEU C C 19 178.830 178.628 0.202 1
1 109 . 4 1 1 A 19 19 LEU CA C 19 57.908 57.684 0.224 1
1 110 . 4 1 1 A 19 19 LEU CB C 19 41.703 41.292 0.411 1
1 114 . 4 1 1 A 19 19 LEU N N 19 117.889 119.290 -1.401 1
1 115 . 4 1 1 A 20 20 GLU H H 20 8.119 8.648 -0.529 1
1 116 . 4 1 1 A 20 20 GLU HA H 20 3.897 3.920 -0.023 1
1 121 . 4 1 1 A 20 20 GLU C C 20 178.126 178.638 -0.512 1
1 122 . 4 1 1 A 20 20 GLU CA C 20 59.248 59.703 -0.455 1
1 123 . 4 1 1 A 20 20 GLU CB C 20 29.697 29.503 0.194 1
1 125 . 4 1 1 A 20 20 GLU N N 20 118.697 120.153 -1.456 1
1 126 . 4 1 1 A 21 21 ALA H H 21 7.309 7.414 -0.105 1
1 127 . 4 1 1 A 21 21 ALA HA H 21 4.057 4.037 0.020 1
1 131 . 4 1 1 A 21 21 ALA C C 21 180.773 179.567 1.206 1
1 132 . 4 1 1 A 21 21 ALA CA C 21 54.947 55.153 -0.206 1
1 133 . 4 1 1 A 21 21 ALA CB C 21 18.888 18.648 0.240 1
1 134 . 4 1 1 A 21 21 ALA N N 21 120.540 121.892 -1.352 1
1 135 . 4 1 1 A 22 22 LEU H H 22 8.070 7.847 0.223 1
1 136 . 4 1 1 A 22 22 LEU HA H 22 3.428 3.885 -0.457 1
1 146 . 4 1 1 A 22 22 LEU C C 22 177.131 179.596 -2.465 1
1 147 . 4 1 1 A 22 22 LEU CA C 22 58.408 57.875 0.533 1
1 148 . 4 1 1 A 22 22 LEU CB C 22 38.173 40.481 -2.308 1
1 152 . 4 1 1 A 22 22 LEU N N 22 121.563 117.567 3.996 1
1 153 . 4 1 1 A 23 23 GLU H H 23 7.997 8.305 -0.308 1
1 154 . 4 1 1 A 23 23 GLU HA H 23 4.289 4.191 0.098 1
1 159 . 4 1 1 A 23 23 GLU C C 23 179.510 179.429 0.081 1
1 160 . 4 1 1 A 23 23 GLU CA C 23 58.734 59.895 -1.161 1
1 161 . 4 1 1 A 23 23 GLU CB C 23 28.879 29.317 -0.438 1
1 163 . 4 1 1 A 23 23 GLU N N 23 118.641 117.417 1.224 1
1 164 . 4 1 1 A 24 24 ASN H H 24 8.282 8.195 0.087 1
1 165 . 4 1 1 A 24 24 ASN HA H 24 4.443 4.518 -0.075 1
1 170 . 4 1 1 A 24 24 ASN C C 24 178.563 177.956 0.607 1
1 171 . 4 1 1 A 24 24 ASN CA C 24 56.145 56.320 -0.175 1
1 172 . 4 1 1 A 24 24 ASN CB C 24 38.055 38.194 -0.139 1
1 173 . 4 1 1 A 24 24 ASN N N 24 117.495 118.300 -0.805 1
1 175 . 4 1 1 A 25 25 LEU H H 25 7.852 8.007 -0.155 1
1 176 . 4 1 1 A 25 25 LEU HA H 25 4.445 4.457 -0.012 1
1 186 . 4 1 1 A 25 25 LEU C C 25 177.276 178.405 -1.129 1
1 187 . 4 1 1 A 25 25 LEU CA C 25 57.963 57.563 0.400 1
1 188 . 4 1 1 A 25 25 LEU CB C 25 40.400 42.270 -1.870 1
1 192 . 4 1 1 A 25 25 LEU N N 25 121.261 120.738 0.523 1
1 193 . 4 1 1 A 26 26 PHE H H 26 8.711 8.834 -0.123 1
1 194 . 4 1 1 A 26 26 PHE HA H 26 4.628 4.334 0.294 1
1 202 . 4 1 1 A 26 26 PHE C C 26 176.232 177.912 -1.680 1
1 203 . 4 1 1 A 26 26 PHE CA C 26 61.011 61.088 -0.077 1
1 204 . 4 1 1 A 26 26 PHE CB C 26 38.906 38.742 0.164 1
1 210 . 4 1 1 A 26 26 PHE N N 26 120.816 119.497 1.319 1
1 211 . 4 1 1 A 27 27 GLN H H 27 8.007 8.245 -0.238 1
1 212 . 4 1 1 A 27 27 GLN HA H 27 3.665 3.627 0.038 1
1 219 . 4 1 1 A 27 27 GLN C C 27 177.106 178.618 -1.512 1
1 220 . 4 1 1 A 27 27 GLN CA C 27 57.892 59.309 -1.417 1
1 221 . 4 1 1 A 27 27 GLN CB C 27 28.195 28.532 -0.337 1
1 223 . 4 1 1 A 27 27 GLN N N 27 114.037 118.203 -4.166 1
1 225 . 4 1 1 A 28 28 GLU H H 28 7.467 8.582 -1.115 1
1 226 . 4 1 1 A 28 28 GLU HA H 28 4.190 4.154 0.036 1
1 231 . 4 1 1 A 28 28 GLU C C 28 177.106 176.122 0.984 1
1 232 . 4 1 1 A 28 28 GLU CA C 28 58.138 58.777 -0.639 1
1 233 . 4 1 1 A 28 28 GLU CB C 28 30.756 29.159 1.597 1
1 235 . 4 1 1 A 28 28 GLU N N 28 119.193 117.348 1.845 1
1 236 . 4 1 1 A 29 29 THR H H 29 8.971 7.985 0.986 1
1 237 . 4 1 1 A 29 29 THR HA H 29 4.321 4.606 -0.285 1
1 242 . 4 1 1 A 29 29 THR C C 29 170.526 174.133 -3.607 1
1 243 . 4 1 1 A 29 29 THR CA C 29 59.885 60.229 -0.344 1
1 244 . 4 1 1 A 29 29 THR CB C 29 69.656 70.958 -1.302 1
1 246 . 4 1 1 A 29 29 THR N N 29 116.904 113.316 3.588 1
1 247 . 4 1 1 A 30 30 LYS H H 30 7.942 8.466 -0.524 1
1 248 . 4 1 1 A 30 30 LYS HA H 30 3.765 3.769 -0.004 1
1 257 . 4 1 1 A 30 30 LYS C C 30 175.844 176.705 -0.861 1
1 258 . 4 1 1 A 30 30 LYS CA C 30 56.583 58.462 -1.879 1
1 259 . 4 1 1 A 30 30 LYS CB C 30 32.421 32.996 -0.575 1
1 263 . 4 1 1 A 30 30 LYS N N 30 123.132 126.817 -3.685 1
1 264 . 4 1 1 A 31 31 TYR H H 31 7.788 8.030 -0.242 1
1 265 . 4 1 1 A 31 31 TYR HA H 31 4.608 5.183 -0.575 1
1 272 . 4 1 1 A 31 31 TYR C C 31 172.687 173.308 -0.621 1
1 273 . 4 1 1 A 31 31 TYR CA C 31 54.864 54.571 0.293 1
1 274 . 4 1 1 A 31 31 TYR CB C 31 38.777 39.010 -0.233 1
1 279 . 4 1 1 A 31 31 TYR N N 31 113.626 116.828 -3.202 1
1 280 . 4 1 1 A 32 32 PRO HA H 32 4.399 4.655 -0.256 1
1 287 . 4 1 1 A 32 32 PRO C C 32 177.203 176.099 1.104 1
1 288 . 4 1 1 A 32 32 PRO CA C 32 62.668 62.601 0.067 1
1 289 . 4 1 1 A 32 32 PRO CB C 32 31.394 32.518 -1.124 1
1 292 . 4 1 1 A 33 33 ASP H H 33 8.548 8.672 -0.124 1
1 293 . 4 1 1 A 33 33 ASP HA H 33 4.473 4.946 -0.473 1
1 296 . 4 1 1 A 33 33 ASP C C 33 175.989 177.560 -1.571 1
1 297 . 4 1 1 A 33 33 ASP CA C 33 52.775 53.483 -0.708 1
1 298 . 4 1 1 A 33 33 ASP CB C 33 41.295 41.554 -0.259 1
1 299 . 4 1 1 A 33 33 ASP N N 33 123.152 120.829 2.323 1
1 300 . 4 1 1 A 34 34 VAL H H 34 8.493 8.543 -0.050 1
1 301 . 4 1 1 A 34 34 VAL HA H 34 3.522 3.752 -0.230 1
1 309 . 4 1 1 A 34 34 VAL C C 34 177.203 177.984 -0.781 1
1 310 . 4 1 1 A 34 34 VAL CA C 34 66.618 65.761 0.857 1
1 311 . 4 1 1 A 34 34 VAL CB C 34 31.697 31.652 0.045 1
1 314 . 4 1 1 A 34 34 VAL N N 34 119.474 125.542 -6.068 1
1 315 . 4 1 1 A 35 35 GLY H H 35 8.389 8.263 0.126 1
1 316 . 4 1 1 A 35 35 GLY HA2 H 35 3.901 3.796 0.105 1
1 317 . 4 1 1 A 35 35 GLY HA3 H 35 3.901 3.799 0.102 1
1 318 . 4 1 1 A 35 35 GLY C C 35 176.985 176.647 0.338 1
1 319 . 4 1 1 A 35 35 GLY CA C 35 46.976 47.474 -0.498 1
1 320 . 4 1 1 A 35 35 GLY N N 35 109.478 108.671 0.807 1
1 321 . 4 1 1 A 36 36 THR H H 36 8.142 7.857 0.285 1
1 322 . 4 1 1 A 36 36 THR HA H 36 3.918 4.031 -0.113 1
1 327 . 4 1 1 A 36 36 THR C C 36 177.616 176.630 0.986 1
1 328 . 4 1 1 A 36 36 THR CA C 36 66.957 66.088 0.869 1
1 329 . 4 1 1 A 36 36 THR CB C 36 67.887 68.065 -0.178 1
1 331 . 4 1 1 A 36 36 THR N N 36 121.210 117.826 3.384 1
1 332 . 4 1 1 A 37 37 ARG H H 37 8.396 8.344 0.052 1
1 333 . 4 1 1 A 37 37 ARG HA H 37 3.712 3.896 -0.184 1
1 341 . 4 1 1 A 37 37 ARG C C 37 177.980 179.142 -1.162 1
1 342 . 4 1 1 A 37 37 ARG CA C 37 61.187 59.824 1.363 1
1 343 . 4 1 1 A 37 37 ARG CB C 37 31.250 30.137 1.113 1
1 346 . 4 1 1 A 37 37 ARG N N 37 121.196 120.166 1.030 1
1 348 . 4 1 1 A 38 38 GLU H H 38 8.843 8.373 0.470 1
1 349 . 4 1 1 A 38 38 GLU HA H 38 3.905 3.974 -0.069 1
1 354 . 4 1 1 A 38 38 GLU C C 38 178.636 178.975 -0.339 1
1 355 . 4 1 1 A 38 38 GLU CA C 38 59.797 59.177 0.620 1
1 356 . 4 1 1 A 38 38 GLU CB C 38 29.529 29.136 0.393 1
1 358 . 4 1 1 A 38 38 GLU N N 38 119.875 119.649 0.226 1
1 359 . 4 1 1 A 39 39 GLN H H 39 7.939 7.570 0.369 1
1 360 . 4 1 1 A 39 39 GLN HA H 39 3.977 3.909 0.068 1
1 367 . 4 1 1 A 39 39 GLN C C 39 178.782 178.042 0.740 1
1 368 . 4 1 1 A 39 39 GLN CA C 39 59.078 59.019 0.059 1
1 369 . 4 1 1 A 39 39 GLN CB C 39 28.426 28.357 0.069 1
1 371 . 4 1 1 A 39 39 GLN N N 39 118.456 118.739 -0.283 1
1 373 . 4 1 1 A 40 40 LEU H H 40 7.515 8.486 -0.971 1
1 374 . 4 1 1 A 40 40 LEU HA H 40 4.129 4.012 0.117 1
1 384 . 4 1 1 A 40 40 LEU C C 40 178.150 178.202 -0.052 1
1 385 . 4 1 1 A 40 40 LEU CA C 40 58.273 58.133 0.140 1
1 386 . 4 1 1 A 40 40 LEU CB C 40 41.194 41.192 0.002 1
1 390 . 4 1 1 A 40 40 LEU N N 40 121.414 122.167 -0.753 1
1 391 . 4 1 1 A 41 41 ALA H H 41 8.577 8.654 -0.077 1
1 392 . 4 1 1 A 41 41 ALA HA H 41 3.650 4.000 -0.350 1
1 396 . 4 1 1 A 41 41 ALA C C 41 179.559 180.205 -0.646 1
1 397 . 4 1 1 A 41 41 ALA CA C 41 55.925 55.457 0.468 1
1 398 . 4 1 1 A 41 41 ALA CB C 41 17.487 18.507 -1.020 1
1 399 . 4 1 1 A 41 41 ALA N N 41 121.362 121.255 0.107 1
1 400 . 4 1 1 A 42 42 ARG H H 42 7.986 7.823 0.163 1
1 401 . 4 1 1 A 42 42 ARG HA H 42 4.083 3.966 0.117 1
1 408 . 4 1 1 A 42 42 ARG C C 42 179.000 178.633 0.367 1
1 409 . 4 1 1 A 42 42 ARG CA C 42 58.578 59.613 -1.035 1
1 410 . 4 1 1 A 42 42 ARG CB C 42 30.495 29.942 0.553 1
1 413 . 4 1 1 A 42 42 ARG N N 42 114.579 117.563 -2.984 1
1 414 . 4 1 1 A 43 43 LYS H H 43 7.706 7.857 -0.151 1
1 415 . 4 1 1 A 43 43 LYS HA H 43 4.023 3.975 0.048 1
1 424 . 4 1 1 A 43 43 LYS C C 43 178.248 178.284 -0.036 1
1 425 . 4 1 1 A 43 43 LYS CA C 43 59.177 58.834 0.343 1
1 426 . 4 1 1 A 43 43 LYS CB C 43 33.134 32.407 0.727 1
1 430 . 4 1 1 A 43 43 LYS N N 43 119.896 119.976 -0.080 1
1 431 . 4 1 1 A 44 44 VAL H H 44 7.681 7.473 0.208 1
1 432 . 4 1 1 A 44 44 VAL HA H 44 4.522 4.322 0.200 1
1 440 . 4 1 1 A 44 44 VAL C C 44 174.654 174.871 -0.217 1
1 441 . 4 1 1 A 44 44 VAL CA C 44 59.912 61.282 -1.370 1
1 442 . 4 1 1 A 44 44 VAL CB C 44 30.979 31.529 -0.550 1
1 445 . 4 1 1 A 44 44 VAL N N 44 105.042 110.171 -5.129 1
1 446 . 4 1 1 A 45 45 HIS H H 45 7.398 7.600 -0.202 1
1 447 . 4 1 1 A 45 45 HIS HA H 45 4.293 4.164 0.129 1
1 451 . 4 1 1 A 45 45 HIS C C 45 174.144 173.934 0.210 1
1 452 . 4 1 1 A 45 45 HIS CA C 45 56.956 56.651 0.305 1
1 453 . 4 1 1 A 45 45 HIS CB C 45 26.353 26.608 -0.255 1
1 455 . 4 1 1 A 45 45 HIS N N 45 117.892 116.110 1.782 1
1 456 . 4 1 1 A 46 46 LEU H H 46 8.571 7.784 0.787 1
1 457 . 4 1 1 A 46 46 LEU HA H 46 4.855 4.899 -0.044 1
1 467 . 4 1 1 A 46 46 LEU C C 46 176.256 175.269 0.987 1
1 468 . 4 1 1 A 46 46 LEU CA C 46 52.689 53.451 -0.762 1
1 469 . 4 1 1 A 46 46 LEU CB C 46 47.746 45.806 1.940 1
1 473 . 4 1 1 A 46 46 LEU N N 46 119.288 118.637 0.651 1
1 474 . 4 1 1 A 47 47 ARG H H 47 7.979 8.805 -0.826 1
1 475 . 4 1 1 A 47 47 ARG HA H 47 4.439 4.442 -0.003 1
1 482 . 4 1 1 A 47 47 ARG C C 47 178.830 177.395 1.435 1
1 483 . 4 1 1 A 47 47 ARG CA C 47 55.871 55.605 0.266 1
1 484 . 4 1 1 A 47 47 ARG CB C 47 30.838 31.146 -0.308 1
1 487 . 4 1 1 A 47 47 ARG N N 47 119.085 120.460 -1.375 1
1 488 . 4 1 1 A 48 48 GLU H H 48 9.642 9.187 0.455 1
1 489 . 4 1 1 A 48 48 GLU HA H 48 3.644 3.842 -0.198 1
1 494 . 4 1 1 A 48 48 GLU C C 48 178.515 178.371 0.144 1
1 495 . 4 1 1 A 48 48 GLU CA C 48 61.612 60.455 1.157 1
1 496 . 4 1 1 A 48 48 GLU CB C 48 28.860 29.547 -0.687 1
1 498 . 4 1 1 A 48 48 GLU N N 48 125.963 125.730 0.233 1
1 499 . 4 1 1 A 49 49 GLU H H 49 9.638 8.195 1.443 1
1 500 . 4 1 1 A 49 49 GLU HA H 49 4.239 4.011 0.228 1
1 505 . 4 1 1 A 49 49 GLU C C 49 178.927 179.035 -0.108 1
1 506 . 4 1 1 A 49 49 GLU CA C 49 59.681 59.750 -0.069 1
1 507 . 4 1 1 A 49 49 GLU CB C 49 28.531 29.460 -0.929 1
1 509 . 4 1 1 A 49 49 GLU N N 49 118.929 119.237 -0.308 1
1 510 . 4 1 1 A 50 50 LYS H H 50 7.398 7.799 -0.401 1
1 511 . 4 1 1 A 50 50 LYS HA H 50 4.318 4.068 0.250 1
1 520 . 4 1 1 A 50 50 LYS C C 50 179.486 179.218 0.268 1
1 521 . 4 1 1 A 50 50 LYS CA C 50 58.084 59.371 -1.287 1
1 522 . 4 1 1 A 50 50 LYS CB C 50 32.487 32.526 -0.039 1
1 526 . 4 1 1 A 50 50 LYS N N 50 117.569 118.500 -0.931 1
1 527 . 4 1 1 A 51 51 VAL H H 51 7.614 7.864 -0.250 1
1 528 . 4 1 1 A 51 51 VAL HA H 51 3.739 3.536 0.203 1
1 536 . 4 1 1 A 51 51 VAL C C 51 177.641 177.939 -0.298 1
1 537 . 4 1 1 A 51 51 VAL CA C 51 66.900 67.060 -0.160 1
1 538 . 4 1 1 A 51 51 VAL CB C 51 31.876 31.367 0.509 1
1 541 . 4 1 1 A 51 51 VAL N N 51 120.291 120.403 -0.112 1
1 542 . 4 1 1 A 52 52 GLU H H 52 8.274 7.830 0.444 1
1 543 . 4 1 1 A 52 52 GLU HA H 52 4.198 3.815 0.383 1
1 547 . 4 1 1 A 52 52 GLU C C 52 179.073 178.464 0.609 1
1 548 . 4 1 1 A 52 52 GLU CA C 52 60.434 59.373 1.061 1
1 549 . 4 1 1 A 52 52 GLU CB C 52 29.073 29.696 -0.623 1
1 551 . 4 1 1 A 52 52 GLU N N 52 120.105 120.281 -0.176 1
1 552 . 4 1 1 A 53 53 VAL H H 53 7.936 7.930 0.006 1
1 553 . 4 1 1 A 53 53 VAL HA H 53 3.692 3.713 -0.021 1
1 561 . 4 1 1 A 53 53 VAL C C 53 177.592 178.292 -0.700 1
1 562 . 4 1 1 A 53 53 VAL CA C 53 66.935 66.719 0.216 1
1 563 . 4 1 1 A 53 53 VAL CB C 53 32.273 31.685 0.588 1
1 566 . 4 1 1 A 53 53 VAL N N 53 119.238 119.285 -0.047 1
1 567 . 4 1 1 A 54 54 TRP H H 54 8.321 8.358 -0.037 1
1 568 . 4 1 1 A 54 54 TRP HA H 54 4.083 4.239 -0.156 1
1 577 . 4 1 1 A 54 54 TRP C C 54 179.802 178.012 1.790 1
1 578 . 4 1 1 A 54 54 TRP CA C 54 63.129 61.335 1.794 1
1 579 . 4 1 1 A 54 54 TRP CB C 54 28.635 29.820 -1.185 1
1 585 . 4 1 1 A 54 54 TRP N N 54 121.382 121.335 0.047 1
1 587 . 4 1 1 A 55 55 PHE H H 55 8.834 8.332 0.502 1
1 588 . 4 1 1 A 55 55 PHE HA H 55 3.676 3.681 -0.005 1
1 596 . 4 1 1 A 55 55 PHE C C 55 178.150 177.996 0.154 1
1 597 . 4 1 1 A 55 55 PHE CA C 55 64.096 61.684 2.412 1
1 598 . 4 1 1 A 55 55 PHE CB C 55 39.358 38.564 0.794 1
1 604 . 4 1 1 A 55 55 PHE N N 55 118.755 117.921 0.834 1
1 605 . 4 1 1 A 56 56 LYS H H 56 8.241 7.930 0.311 1
1 606 . 4 1 1 A 56 56 LYS HA H 56 3.977 3.841 0.136 1
1 612 . 4 1 1 A 56 56 LYS C C 56 180.166 179.741 0.425 1
1 613 . 4 1 1 A 56 56 LYS CA C 56 60.744 59.110 1.634 1
1 614 . 4 1 1 A 56 56 LYS CB C 56 32.322 32.499 -0.177 1
1 618 . 4 1 1 A 56 56 LYS N N 56 120.065 118.233 1.832 1
1 619 . 4 1 1 A 57 57 ASN H H 57 8.084 8.409 -0.325 1
1 620 . 4 1 1 A 57 57 ASN HA H 57 4.367 4.384 -0.017 1
1 625 . 4 1 1 A 57 57 ASN C C 57 177.422 177.922 -0.500 1
1 626 . 4 1 1 A 57 57 ASN CA C 57 55.660 56.346 -0.686 1
1 627 . 4 1 1 A 57 57 ASN CB C 57 38.008 37.771 0.237 1
1 628 . 4 1 1 A 57 57 ASN N N 57 118.967 118.151 0.816 1
1 630 . 4 1 1 A 58 58 ARG H H 58 8.575 7.848 0.727 1
1 631 . 4 1 1 A 58 58 ARG HA H 58 3.463 3.597 -0.134 1
1 639 . 4 1 1 A 58 58 ARG C C 58 180.044 179.111 0.933 1
1 640 . 4 1 1 A 58 58 ARG CA C 58 56.568 59.435 -2.867 1
1 641 . 4 1 1 A 58 58 ARG CB C 58 28.155 29.134 -0.979 1
1 644 . 4 1 1 A 58 58 ARG N N 58 124.441 118.875 5.566 1
1 646 . 4 1 1 A 59 59 ARG H H 59 8.490 7.762 0.728 1
1 647 . 4 1 1 A 59 59 ARG HA H 59 4.334 4.216 0.118 1
1 653 . 4 1 1 A 59 59 ARG C C 59 178.223 178.869 -0.646 1
1 654 . 4 1 1 A 59 59 ARG CA C 59 60.699 59.685 1.014 1
1 655 . 4 1 1 A 59 59 ARG CB C 59 31.905 29.927 1.978 1
1 658 . 4 1 1 A 59 59 ARG N N 59 118.847 119.382 -0.535 1
1 659 . 4 1 1 A 60 60 ALA H H 60 7.459 7.771 -0.312 1
1 660 . 4 1 1 A 60 60 ALA HA H 60 4.225 4.180 0.045 1
1 664 . 4 1 1 A 60 60 ALA C C 60 179.680 179.503 0.177 1
1 665 . 4 1 1 A 60 60 ALA CA C 60 55.051 55.164 -0.113 1
1 666 . 4 1 1 A 60 60 ALA CB C 60 17.817 18.473 -0.656 1
1 667 . 4 1 1 A 60 60 ALA N N 60 121.387 121.746 -0.359 1
1 668 . 4 1 1 A 61 61 LYS H H 61 7.452 8.031 -0.579 1
1 669 . 4 1 1 A 61 61 LYS HA H 61 4.042 4.105 -0.063 1
1 676 . 4 1 1 A 61 61 LYS C C 61 178.078 178.630 -0.552 1
1 677 . 4 1 1 A 61 61 LYS CA C 61 58.472 59.366 -0.894 1
1 678 . 4 1 1 A 61 61 LYS CB C 61 32.734 32.088 0.646 1
1 682 . 4 1 1 A 61 61 LYS N N 61 118.087 118.172 -0.085 1
1 683 . 4 1 1 A 62 62 TRP H H 62 8.008 8.006 0.002 1
1 684 . 4 1 1 A 62 62 TRP HA H 62 4.632 4.320 0.312 1
1 693 . 4 1 1 A 62 62 TRP C C 62 177.471 178.131 -0.660 1
1 694 . 4 1 1 A 62 62 TRP CA C 62 59.120 60.847 -1.727 1
1 695 . 4 1 1 A 62 62 TRP CB C 62 29.366 29.368 -0.002 1
1 701 . 4 1 1 A 62 62 TRP N N 62 121.749 121.854 -0.105 1
1 703 . 4 1 1 A 63 63 ARG H H 63 8.286 8.797 -0.511 1
1 704 . 4 1 1 A 63 63 ARG HA H 63 3.736 3.422 0.314 1
1 711 . 4 1 1 A 63 63 ARG C C 63 176.888 178.600 -1.712 1
1 712 . 4 1 1 A 63 63 ARG CA C 63 57.385 58.788 -1.403 1
1 713 . 4 1 1 A 63 63 ARG CB C 63 30.726 30.163 0.563 1
1 716 . 4 1 1 A 63 63 ARG N N 63 119.622 118.714 0.908 1
1 717 . 4 1 1 A 64 64 ARG H H 64 7.670 7.994 -0.324 1
1 718 . 4 1 1 A 64 64 ARG HA H 64 4.196 4.123 0.073 1
1 723 . 4 1 1 A 64 64 ARG C C 64 176.645 176.473 0.172 1
1 724 . 4 1 1 A 64 64 ARG CA C 64 56.956 58.987 -2.031 1
1 725 . 4 1 1 A 64 64 ARG CB C 64 30.369 30.111 0.258 1
1 728 . 4 1 1 A 64 64 ARG N N 64 119.096 118.773 0.323 1
1 729 . 4 1 1 A 65 65 SER H H 65 7.962 8.163 -0.201 1
1 730 . 4 1 1 A 65 65 SER HA H 65 4.474 4.964 -0.490 1
1 733 . 4 1 1 A 65 65 SER C C 65 174.435 173.255 1.180 1
1 734 . 4 1 1 A 65 65 SER CA C 65 58.837 57.279 1.558 1
1 735 . 4 1 1 A 65 65 SER CB C 65 63.947 65.194 -1.247 1
1 736 . 4 1 1 A 65 65 SER N N 65 115.352 114.858 0.494 1
1 737 . 4 1 1 A 66 66 GLY H H 66 8.031 8.774 -0.743 1
1 738 . 4 1 1 A 66 66 GLY HA2 H 66 4.068 4.117 -0.049 1
1 739 . 4 1 1 A 66 66 GLY C C 66 171.813 171.502 0.311 1
1 740 . 4 1 1 A 66 66 GLY CA C 66 44.800 44.184 0.616 1
1 741 . 4 1 1 A 66 66 GLY N N 66 110.503 112.539 -2.036 1
1 742 . 4 1 1 A 67 67 PRO HA H 67 4.456 4.510 -0.054 1
1 747 . 4 1 1 A 67 67 PRO CA C 67 63.352 62.623 0.729 1
1 748 . 4 1 1 A 67 67 PRO CB C 67 32.167 32.566 -0.399 1
1 751 . 4 1 1 A 68 68 SER HA H 68 4.457 4.108 0.349 1
1 754 . 4 1 1 A 68 68 SER C C 68 174.654 176.597 -1.943 1
1 755 . 4 1 1 A 68 68 SER CA C 68 58.612 61.755 -3.143 1
1 756 . 4 1 1 A 68 68 SER CB C 68 63.845 62.937 0.908 1
1 757 . 4 1 1 A 69 69 SER HA H 69 4.491 4.200 0.291 1
1 760 . 4 1 1 A 69 69 SER C C 69 173.925 177.151 -3.226 1
1 761 . 4 1 1 A 69 69 SER CA C 69 58.423 61.268 -2.845 1
1 762 . 4 1 1 A 69 69 SER CB C 69 63.969 62.392 1.577 1
1 1 . 5 1 1 A 10 10 HIS HA H 10 4.605 5.359 -0.754 1
1 5 . 5 1 1 A 10 10 HIS CA C 10 56.397 54.047 2.350 1
1 6 . 5 1 1 A 10 10 HIS CB C 10 29.857 33.679 -3.822 1
1 8 . 5 1 1 A 12 12 THR HA H 12 4.305 3.817 0.488 1
1 13 . 5 1 1 A 12 12 THR C C 12 173.925 175.370 -1.445 1
1 14 . 5 1 1 A 12 12 THR CA C 12 62.068 66.923 -4.855 1
1 15 . 5 1 1 A 12 12 THR CB C 12 69.817 69.118 0.699 1
1 17 . 5 1 1 A 13 13 ILE H H 13 8.188 7.807 0.381 1
1 18 . 5 1 1 A 13 13 ILE HA H 13 4.139 4.160 -0.021 1
1 28 . 5 1 1 A 13 13 ILE C C 13 175.795 175.689 0.106 1
1 29 . 5 1 1 A 13 13 ILE CA C 13 61.202 61.486 -0.284 1
1 30 . 5 1 1 A 13 13 ILE CB C 13 38.686 38.477 0.209 1
1 34 . 5 1 1 A 13 13 ILE N N 13 123.673 118.997 4.676 1
1 35 . 5 1 1 A 14 14 PHE H H 14 8.178 9.133 -0.955 1
1 36 . 5 1 1 A 14 14 PHE HA H 14 4.977 4.859 0.118 1
1 44 . 5 1 1 A 14 14 PHE C C 14 176.475 175.475 1.000 1
1 45 . 5 1 1 A 14 14 PHE CA C 14 57.025 57.845 -0.820 1
1 46 . 5 1 1 A 14 14 PHE CB C 14 41.482 40.987 0.495 1
1 52 . 5 1 1 A 14 14 PHE N N 14 122.586 127.361 -4.775 1
1 53 . 5 1 1 A 15 15 THR H H 15 8.792 9.240 -0.448 1
1 54 . 5 1 1 A 15 15 THR HA H 15 4.462 4.794 -0.332 1
1 59 . 5 1 1 A 15 15 THR C C 15 175.261 175.746 -0.485 1
1 60 . 5 1 1 A 15 15 THR CA C 15 60.623 60.071 0.552 1
1 61 . 5 1 1 A 15 15 THR CB C 15 70.645 71.017 -0.372 1
1 63 . 5 1 1 A 15 15 THR N N 15 113.201 113.671 -0.470 1
1 64 . 5 1 1 A 16 16 ASP H H 16 9.018 9.025 -0.007 1
1 65 . 5 1 1 A 16 16 ASP HA H 16 4.371 4.273 0.098 1
1 68 . 5 1 1 A 16 16 ASP C C 16 178.806 178.182 0.624 1
1 69 . 5 1 1 A 16 16 ASP CA C 16 58.163 57.882 0.281 1
1 70 . 5 1 1 A 16 16 ASP CB C 16 39.689 40.456 -0.767 1
1 71 . 5 1 1 A 16 16 ASP N N 16 121.802 123.264 -1.462 1
1 72 . 5 1 1 A 17 17 GLU H H 17 8.785 8.348 0.437 1
1 73 . 5 1 1 A 17 17 GLU HA H 17 4.054 3.952 0.102 1
1 78 . 5 1 1 A 17 17 GLU C C 17 180.044 178.971 1.073 1
1 79 . 5 1 1 A 17 17 GLU CA C 17 59.706 59.788 -0.082 1
1 80 . 5 1 1 A 17 17 GLU CB C 17 29.520 29.127 0.393 1
1 82 . 5 1 1 A 17 17 GLU N N 17 119.474 120.333 -0.859 1
1 83 . 5 1 1 A 18 18 GLN H H 18 7.700 7.697 0.003 1
1 84 . 5 1 1 A 18 18 GLN HA H 18 3.665 3.819 -0.154 1
1 91 . 5 1 1 A 18 18 GLN C C 18 177.009 178.642 -1.633 1
1 92 . 5 1 1 A 18 18 GLN CA C 18 59.354 59.207 0.147 1
1 93 . 5 1 1 A 18 18 GLN CB C 18 27.377 28.215 -0.838 1
1 95 . 5 1 1 A 18 18 GLN N N 18 119.784 118.462 1.322 1
1 97 . 5 1 1 A 19 19 LEU H H 19 8.383 8.228 0.155 1
1 98 . 5 1 1 A 19 19 LEU HA H 19 3.585 3.463 0.122 1
1 108 . 5 1 1 A 19 19 LEU C C 19 178.830 178.477 0.353 1
1 109 . 5 1 1 A 19 19 LEU CA C 19 57.908 57.781 0.127 1
1 110 . 5 1 1 A 19 19 LEU CB C 19 41.703 41.308 0.395 1
1 114 . 5 1 1 A 19 19 LEU N N 19 117.889 120.112 -2.223 1
1 115 . 5 1 1 A 20 20 GLU H H 20 8.119 8.698 -0.579 1
1 116 . 5 1 1 A 20 20 GLU HA H 20 3.897 3.866 0.031 1
1 121 . 5 1 1 A 20 20 GLU C C 20 178.126 178.426 -0.300 1
1 122 . 5 1 1 A 20 20 GLU CA C 20 59.248 59.702 -0.454 1
1 123 . 5 1 1 A 20 20 GLU CB C 20 29.697 29.504 0.193 1
1 125 . 5 1 1 A 20 20 GLU N N 20 118.697 119.939 -1.242 1
1 126 . 5 1 1 A 21 21 ALA H H 21 7.309 7.490 -0.181 1
1 127 . 5 1 1 A 21 21 ALA HA H 21 4.057 4.023 0.034 1
1 131 . 5 1 1 A 21 21 ALA C C 21 180.773 179.751 1.022 1
1 132 . 5 1 1 A 21 21 ALA CA C 21 54.947 55.094 -0.147 1
1 133 . 5 1 1 A 21 21 ALA CB C 21 18.888 18.509 0.379 1
1 134 . 5 1 1 A 21 21 ALA N N 21 120.540 122.036 -1.496 1
1 135 . 5 1 1 A 22 22 LEU H H 22 8.070 7.948 0.122 1
1 136 . 5 1 1 A 22 22 LEU HA H 22 3.428 3.692 -0.264 1
1 146 . 5 1 1 A 22 22 LEU C C 22 177.131 179.018 -1.887 1
1 147 . 5 1 1 A 22 22 LEU CA C 22 58.408 57.636 0.772 1
1 148 . 5 1 1 A 22 22 LEU CB C 22 38.173 40.276 -2.103 1
1 152 . 5 1 1 A 22 22 LEU N N 22 121.563 117.775 3.788 1
1 153 . 5 1 1 A 23 23 GLU H H 23 7.997 7.906 0.091 1
1 154 . 5 1 1 A 23 23 GLU HA H 23 4.289 4.036 0.253 1
1 159 . 5 1 1 A 23 23 GLU C C 23 179.510 179.457 0.053 1
1 160 . 5 1 1 A 23 23 GLU CA C 23 58.734 59.716 -0.982 1
1 161 . 5 1 1 A 23 23 GLU CB C 23 28.879 29.321 -0.442 1
1 163 . 5 1 1 A 23 23 GLU N N 23 118.641 116.915 1.726 1
1 164 . 5 1 1 A 24 24 ASN H H 24 8.282 8.282 0.000 1
1 165 . 5 1 1 A 24 24 ASN HA H 24 4.443 4.545 -0.102 1
1 170 . 5 1 1 A 24 24 ASN C C 24 178.563 178.131 0.432 1
1 171 . 5 1 1 A 24 24 ASN CA C 24 56.145 56.258 -0.113 1
1 172 . 5 1 1 A 24 24 ASN CB C 24 38.055 38.562 -0.507 1
1 173 . 5 1 1 A 24 24 ASN N N 24 117.495 118.357 -0.862 1
1 175 . 5 1 1 A 25 25 LEU H H 25 7.852 7.997 -0.145 1
1 176 . 5 1 1 A 25 25 LEU HA H 25 4.445 4.174 0.271 1
1 186 . 5 1 1 A 25 25 LEU C C 25 177.276 178.417 -1.141 1
1 187 . 5 1 1 A 25 25 LEU CA C 25 57.963 57.639 0.324 1
1 188 . 5 1 1 A 25 25 LEU CB C 25 40.400 41.754 -1.354 1
1 192 . 5 1 1 A 25 25 LEU N N 25 121.261 120.683 0.578 1
1 193 . 5 1 1 A 26 26 PHE H H 26 8.711 8.812 -0.101 1
1 194 . 5 1 1 A 26 26 PHE HA H 26 4.628 4.250 0.378 1
1 202 . 5 1 1 A 26 26 PHE C C 26 176.232 177.870 -1.638 1
1 203 . 5 1 1 A 26 26 PHE CA C 26 61.011 60.889 0.122 1
1 204 . 5 1 1 A 26 26 PHE CB C 26 38.906 38.675 0.231 1
1 210 . 5 1 1 A 26 26 PHE N N 26 120.816 119.345 1.471 1
1 211 . 5 1 1 A 27 27 GLN H H 27 8.007 8.451 -0.444 1
1 212 . 5 1 1 A 27 27 GLN HA H 27 3.665 3.805 -0.140 1
1 219 . 5 1 1 A 27 27 GLN C C 27 177.106 178.844 -1.738 1
1 220 . 5 1 1 A 27 27 GLN CA C 27 57.892 59.523 -1.631 1
1 221 . 5 1 1 A 27 27 GLN CB C 27 28.195 28.718 -0.523 1
1 223 . 5 1 1 A 27 27 GLN N N 27 114.037 118.168 -4.131 1
1 225 . 5 1 1 A 28 28 GLU H H 28 7.467 8.182 -0.715 1
1 226 . 5 1 1 A 28 28 GLU HA H 28 4.190 4.165 0.025 1
1 231 . 5 1 1 A 28 28 GLU C C 28 177.106 176.107 0.999 1
1 232 . 5 1 1 A 28 28 GLU CA C 28 58.138 58.724 -0.586 1
1 233 . 5 1 1 A 28 28 GLU CB C 28 30.756 29.084 1.672 1
1 235 . 5 1 1 A 28 28 GLU N N 28 119.193 117.093 2.100 1
1 236 . 5 1 1 A 29 29 THR H H 29 8.971 7.755 1.216 1
1 237 . 5 1 1 A 29 29 THR HA H 29 4.321 4.596 -0.275 1
1 242 . 5 1 1 A 29 29 THR C C 29 170.526 173.604 -3.078 1
1 243 . 5 1 1 A 29 29 THR CA C 29 59.885 60.127 -0.242 1
1 244 . 5 1 1 A 29 29 THR CB C 29 69.656 70.734 -1.078 1
1 246 . 5 1 1 A 29 29 THR N N 29 116.904 113.365 3.539 1
1 247 . 5 1 1 A 30 30 LYS H H 30 7.942 8.504 -0.562 1
1 248 . 5 1 1 A 30 30 LYS HA H 30 3.765 3.539 0.226 1
1 257 . 5 1 1 A 30 30 LYS C C 30 175.844 176.255 -0.411 1
1 258 . 5 1 1 A 30 30 LYS CA C 30 56.583 57.451 -0.868 1
1 259 . 5 1 1 A 30 30 LYS CB C 30 32.421 32.815 -0.394 1
1 263 . 5 1 1 A 30 30 LYS N N 30 123.132 125.809 -2.677 1
1 264 . 5 1 1 A 31 31 TYR H H 31 7.788 7.887 -0.099 1
1 265 . 5 1 1 A 31 31 TYR HA H 31 4.608 5.098 -0.490 1
1 272 . 5 1 1 A 31 31 TYR C C 31 172.687 173.182 -0.495 1
1 273 . 5 1 1 A 31 31 TYR CA C 31 54.864 54.634 0.230 1
1 274 . 5 1 1 A 31 31 TYR CB C 31 38.777 39.142 -0.365 1
1 279 . 5 1 1 A 31 31 TYR N N 31 113.626 116.955 -3.329 1
1 280 . 5 1 1 A 32 32 PRO HA H 32 4.399 4.549 -0.150 1
1 287 . 5 1 1 A 32 32 PRO C C 32 177.203 175.180 2.023 1
1 288 . 5 1 1 A 32 32 PRO CA C 32 62.668 62.191 0.477 1
1 289 . 5 1 1 A 32 32 PRO CB C 32 31.394 32.791 -1.397 1
1 292 . 5 1 1 A 33 33 ASP H H 33 8.548 8.382 0.166 1
1 293 . 5 1 1 A 33 33 ASP HA H 33 4.473 5.046 -0.573 1
1 296 . 5 1 1 A 33 33 ASP C C 33 175.989 177.232 -1.243 1
1 297 . 5 1 1 A 33 33 ASP CA C 33 52.775 52.573 0.202 1
1 298 . 5 1 1 A 33 33 ASP CB C 33 41.295 43.498 -2.203 1
1 299 . 5 1 1 A 33 33 ASP N N 33 123.152 120.311 2.841 1
1 300 . 5 1 1 A 34 34 VAL H H 34 8.493 8.557 -0.064 1
1 301 . 5 1 1 A 34 34 VAL HA H 34 3.522 3.752 -0.230 1
1 309 . 5 1 1 A 34 34 VAL C C 34 177.203 177.954 -0.751 1
1 310 . 5 1 1 A 34 34 VAL CA C 34 66.618 65.753 0.865 1
1 311 . 5 1 1 A 34 34 VAL CB C 34 31.697 31.714 -0.017 1
1 314 . 5 1 1 A 34 34 VAL N N 34 119.474 125.290 -5.816 1
1 315 . 5 1 1 A 35 35 GLY H H 35 8.389 8.219 0.170 1
1 316 . 5 1 1 A 35 35 GLY HA2 H 35 3.901 3.768 0.133 1
1 317 . 5 1 1 A 35 35 GLY HA3 H 35 3.901 3.768 0.133 1
1 318 . 5 1 1 A 35 35 GLY C C 35 176.985 175.837 1.148 1
1 319 . 5 1 1 A 35 35 GLY CA C 35 46.976 47.407 -0.431 1
1 320 . 5 1 1 A 35 35 GLY N N 35 109.478 108.846 0.632 1
1 321 . 5 1 1 A 36 36 THR H H 36 8.142 8.142 0.000 1
1 322 . 5 1 1 A 36 36 THR HA H 36 3.918 3.979 -0.061 1
1 327 . 5 1 1 A 36 36 THR C C 36 177.616 176.138 1.478 1
1 328 . 5 1 1 A 36 36 THR CA C 36 66.957 66.402 0.555 1
1 329 . 5 1 1 A 36 36 THR CB C 36 67.887 68.439 -0.552 1
1 331 . 5 1 1 A 36 36 THR N N 36 121.210 117.775 3.435 1
1 332 . 5 1 1 A 37 37 ARG H H 37 8.396 8.308 0.088 1
1 333 . 5 1 1 A 37 37 ARG HA H 37 3.712 3.936 -0.224 1
1 341 . 5 1 1 A 37 37 ARG C C 37 177.980 179.204 -1.224 1
1 342 . 5 1 1 A 37 37 ARG CA C 37 61.187 59.674 1.513 1
1 343 . 5 1 1 A 37 37 ARG CB C 37 31.250 30.278 0.972 1
1 346 . 5 1 1 A 37 37 ARG N N 37 121.196 120.480 0.716 1
1 348 . 5 1 1 A 38 38 GLU H H 38 8.843 8.254 0.589 1
1 349 . 5 1 1 A 38 38 GLU HA H 38 3.905 4.064 -0.159 1
1 354 . 5 1 1 A 38 38 GLU C C 38 178.636 178.968 -0.332 1
1 355 . 5 1 1 A 38 38 GLU CA C 38 59.797 58.934 0.863 1
1 356 . 5 1 1 A 38 38 GLU CB C 38 29.529 29.160 0.369 1
1 358 . 5 1 1 A 38 38 GLU N N 38 119.875 119.146 0.729 1
1 359 . 5 1 1 A 39 39 GLN H H 39 7.939 7.811 0.128 1
1 360 . 5 1 1 A 39 39 GLN HA H 39 3.977 3.916 0.061 1
1 367 . 5 1 1 A 39 39 GLN C C 39 178.782 178.148 0.634 1
1 368 . 5 1 1 A 39 39 GLN CA C 39 59.078 59.036 0.042 1
1 369 . 5 1 1 A 39 39 GLN CB C 39 28.426 28.363 0.063 1
1 371 . 5 1 1 A 39 39 GLN N N 39 118.456 118.920 -0.464 1
1 373 . 5 1 1 A 40 40 LEU H H 40 7.515 8.453 -0.938 1
1 374 . 5 1 1 A 40 40 LEU HA H 40 4.129 4.010 0.119 1
1 384 . 5 1 1 A 40 40 LEU C C 40 178.150 178.116 0.034 1
1 385 . 5 1 1 A 40 40 LEU CA C 40 58.273 58.241 0.032 1
1 386 . 5 1 1 A 40 40 LEU CB C 40 41.194 41.522 -0.328 1
1 390 . 5 1 1 A 40 40 LEU N N 40 121.414 122.192 -0.778 1
1 391 . 5 1 1 A 41 41 ALA H H 41 8.577 8.454 0.123 1
1 392 . 5 1 1 A 41 41 ALA HA H 41 3.650 4.055 -0.405 1
1 396 . 5 1 1 A 41 41 ALA C C 41 179.559 180.319 -0.760 1
1 397 . 5 1 1 A 41 41 ALA CA C 41 55.925 55.489 0.436 1
1 398 . 5 1 1 A 41 41 ALA CB C 41 17.487 18.609 -1.122 1
1 399 . 5 1 1 A 41 41 ALA N N 41 121.362 121.021 0.341 1
1 400 . 5 1 1 A 42 42 ARG H H 42 7.986 7.845 0.141 1
1 401 . 5 1 1 A 42 42 ARG HA H 42 4.083 4.029 0.054 1
1 408 . 5 1 1 A 42 42 ARG C C 42 179.000 178.647 0.353 1
1 409 . 5 1 1 A 42 42 ARG CA C 42 58.578 59.672 -1.094 1
1 410 . 5 1 1 A 42 42 ARG CB C 42 30.495 30.046 0.449 1
1 413 . 5 1 1 A 42 42 ARG N N 42 114.579 117.598 -3.019 1
1 414 . 5 1 1 A 43 43 LYS H H 43 7.706 7.746 -0.040 1
1 415 . 5 1 1 A 43 43 LYS HA H 43 4.023 3.954 0.069 1
1 424 . 5 1 1 A 43 43 LYS C C 43 178.248 178.257 -0.009 1
1 425 . 5 1 1 A 43 43 LYS CA C 43 59.177 58.830 0.347 1
1 426 . 5 1 1 A 43 43 LYS CB C 43 33.134 32.401 0.733 1
1 430 . 5 1 1 A 43 43 LYS N N 43 119.896 120.220 -0.324 1
1 431 . 5 1 1 A 44 44 VAL H H 44 7.681 7.576 0.105 1
1 432 . 5 1 1 A 44 44 VAL HA H 44 4.522 4.323 0.199 1
1 440 . 5 1 1 A 44 44 VAL C C 44 174.654 174.787 -0.133 1
1 441 . 5 1 1 A 44 44 VAL CA C 44 59.912 61.281 -1.369 1
1 442 . 5 1 1 A 44 44 VAL CB C 44 30.979 31.499 -0.520 1
1 445 . 5 1 1 A 44 44 VAL N N 44 105.042 110.337 -5.295 1
1 446 . 5 1 1 A 45 45 HIS H H 45 7.398 7.436 -0.038 1
1 447 . 5 1 1 A 45 45 HIS HA H 45 4.293 4.194 0.099 1
1 451 . 5 1 1 A 45 45 HIS C C 45 174.144 174.000 0.144 1
1 452 . 5 1 1 A 45 45 HIS CA C 45 56.956 56.669 0.287 1
1 453 . 5 1 1 A 45 45 HIS CB C 45 26.353 26.631 -0.278 1
1 455 . 5 1 1 A 45 45 HIS N N 45 117.892 116.084 1.808 1
1 456 . 5 1 1 A 46 46 LEU H H 46 8.571 7.930 0.641 1
1 457 . 5 1 1 A 46 46 LEU HA H 46 4.855 4.924 -0.069 1
1 467 . 5 1 1 A 46 46 LEU C C 46 176.256 175.350 0.906 1
1 468 . 5 1 1 A 46 46 LEU CA C 46 52.689 53.634 -0.945 1
1 469 . 5 1 1 A 46 46 LEU CB C 46 47.746 46.007 1.739 1
1 473 . 5 1 1 A 46 46 LEU N N 46 119.288 118.718 0.570 1
1 474 . 5 1 1 A 47 47 ARG H H 47 7.979 8.857 -0.878 1
1 475 . 5 1 1 A 47 47 ARG HA H 47 4.439 4.465 -0.026 1
1 482 . 5 1 1 A 47 47 ARG C C 47 178.830 177.442 1.388 1
1 483 . 5 1 1 A 47 47 ARG CA C 47 55.871 55.575 0.296 1
1 484 . 5 1 1 A 47 47 ARG CB C 47 30.838 31.287 -0.449 1
1 487 . 5 1 1 A 47 47 ARG N N 47 119.085 120.558 -1.473 1
1 488 . 5 1 1 A 48 48 GLU H H 48 9.642 9.215 0.427 1
1 489 . 5 1 1 A 48 48 GLU HA H 48 3.644 3.877 -0.233 1
1 494 . 5 1 1 A 48 48 GLU C C 48 178.515 178.409 0.106 1
1 495 . 5 1 1 A 48 48 GLU CA C 48 61.612 60.518 1.094 1
1 496 . 5 1 1 A 48 48 GLU CB C 48 28.860 29.567 -0.707 1
1 498 . 5 1 1 A 48 48 GLU N N 48 125.963 125.570 0.393 1
1 499 . 5 1 1 A 49 49 GLU H H 49 9.638 8.215 1.423 1
1 500 . 5 1 1 A 49 49 GLU HA H 49 4.239 4.052 0.187 1
1 505 . 5 1 1 A 49 49 GLU C C 49 178.927 179.255 -0.328 1
1 506 . 5 1 1 A 49 49 GLU CA C 49 59.681 59.681 0.000 1
1 507 . 5 1 1 A 49 49 GLU CB C 49 28.531 29.225 -0.694 1
1 509 . 5 1 1 A 49 49 GLU N N 49 118.929 119.180 -0.251 1
1 510 . 5 1 1 A 50 50 LYS H H 50 7.398 7.941 -0.543 1
1 511 . 5 1 1 A 50 50 LYS HA H 50 4.318 4.139 0.179 1
1 520 . 5 1 1 A 50 50 LYS C C 50 179.486 179.255 0.231 1
1 521 . 5 1 1 A 50 50 LYS CA C 50 58.084 59.523 -1.439 1
1 522 . 5 1 1 A 50 50 LYS CB C 50 32.487 32.677 -0.190 1
1 526 . 5 1 1 A 50 50 LYS N N 50 117.569 118.538 -0.969 1
1 527 . 5 1 1 A 51 51 VAL H H 51 7.614 8.001 -0.387 1
1 528 . 5 1 1 A 51 51 VAL HA H 51 3.739 3.635 0.104 1
1 536 . 5 1 1 A 51 51 VAL C C 51 177.641 178.044 -0.403 1
1 537 . 5 1 1 A 51 51 VAL CA C 51 66.900 67.147 -0.247 1
1 538 . 5 1 1 A 51 51 VAL CB C 51 31.876 31.463 0.413 1
1 541 . 5 1 1 A 51 51 VAL N N 51 120.291 120.551 -0.260 1
1 542 . 5 1 1 A 52 52 GLU H H 52 8.274 7.832 0.442 1
1 543 . 5 1 1 A 52 52 GLU HA H 52 4.198 3.950 0.248 1
1 547 . 5 1 1 A 52 52 GLU C C 52 179.073 178.557 0.516 1
1 548 . 5 1 1 A 52 52 GLU CA C 52 60.434 59.351 1.083 1
1 549 . 5 1 1 A 52 52 GLU CB C 52 29.073 29.661 -0.588 1
1 551 . 5 1 1 A 52 52 GLU N N 52 120.105 120.510 -0.405 1
1 552 . 5 1 1 A 53 53 VAL H H 53 7.936 7.881 0.055 1
1 553 . 5 1 1 A 53 53 VAL HA H 53 3.692 3.724 -0.032 1
1 561 . 5 1 1 A 53 53 VAL C C 53 177.592 178.200 -0.608 1
1 562 . 5 1 1 A 53 53 VAL CA C 53 66.935 66.741 0.194 1
1 563 . 5 1 1 A 53 53 VAL CB C 53 32.273 31.777 0.496 1
1 566 . 5 1 1 A 53 53 VAL N N 53 119.238 119.597 -0.359 1
1 567 . 5 1 1 A 54 54 TRP H H 54 8.321 8.191 0.130 1
1 568 . 5 1 1 A 54 54 TRP HA H 54 4.083 4.139 -0.056 1
1 577 . 5 1 1 A 54 54 TRP C C 54 179.802 178.128 1.674 1
1 578 . 5 1 1 A 54 54 TRP CA C 54 63.129 61.367 1.762 1
1 579 . 5 1 1 A 54 54 TRP CB C 54 28.635 29.523 -0.888 1
1 585 . 5 1 1 A 54 54 TRP N N 54 121.382 121.304 0.078 1
1 587 . 5 1 1 A 55 55 PHE H H 55 8.834 8.339 0.495 1
1 588 . 5 1 1 A 55 55 PHE HA H 55 3.676 4.276 -0.600 1
1 596 . 5 1 1 A 55 55 PHE C C 55 178.150 178.352 -0.202 1
1 597 . 5 1 1 A 55 55 PHE CA C 55 64.096 62.175 1.921 1
1 598 . 5 1 1 A 55 55 PHE CB C 55 39.358 38.801 0.557 1
1 604 . 5 1 1 A 55 55 PHE N N 55 118.755 118.117 0.638 1
1 605 . 5 1 1 A 56 56 LYS H H 56 8.241 8.234 0.007 1
1 606 . 5 1 1 A 56 56 LYS HA H 56 3.977 4.108 -0.131 1
1 612 . 5 1 1 A 56 56 LYS C C 56 180.166 179.757 0.409 1
1 613 . 5 1 1 A 56 56 LYS CA C 56 60.744 59.070 1.674 1
1 614 . 5 1 1 A 56 56 LYS CB C 56 32.322 32.104 0.218 1
1 618 . 5 1 1 A 56 56 LYS N N 56 120.065 118.832 1.233 1
1 619 . 5 1 1 A 57 57 ASN H H 57 8.084 8.337 -0.253 1
1 620 . 5 1 1 A 57 57 ASN HA H 57 4.367 4.454 -0.087 1
1 625 . 5 1 1 A 57 57 ASN C C 57 177.422 177.774 -0.352 1
1 626 . 5 1 1 A 57 57 ASN CA C 57 55.660 55.676 -0.016 1
1 627 . 5 1 1 A 57 57 ASN CB C 57 38.008 37.757 0.251 1
1 628 . 5 1 1 A 57 57 ASN N N 57 118.967 117.916 1.051 1
1 630 . 5 1 1 A 58 58 ARG H H 58 8.575 7.759 0.816 1
1 631 . 5 1 1 A 58 58 ARG HA H 58 3.463 3.491 -0.028 1
1 639 . 5 1 1 A 58 58 ARG C C 58 180.044 178.196 1.848 1
1 640 . 5 1 1 A 58 58 ARG CA C 58 56.568 58.765 -2.197 1
1 641 . 5 1 1 A 58 58 ARG CB C 58 28.155 28.816 -0.661 1
1 644 . 5 1 1 A 58 58 ARG N N 58 124.441 120.305 4.136 1
1 646 . 5 1 1 A 59 59 ARG H H 59 8.490 8.093 0.397 1
1 647 . 5 1 1 A 59 59 ARG HA H 59 4.334 4.329 0.005 1
1 653 . 5 1 1 A 59 59 ARG C C 59 178.223 178.838 -0.615 1
1 654 . 5 1 1 A 59 59 ARG CA C 59 60.699 59.331 1.368 1
1 655 . 5 1 1 A 59 59 ARG CB C 59 31.905 30.290 1.615 1
1 658 . 5 1 1 A 59 59 ARG N N 59 118.847 117.801 1.046 1
1 659 . 5 1 1 A 60 60 ALA H H 60 7.459 8.198 -0.739 1
1 660 . 5 1 1 A 60 60 ALA HA H 60 4.225 4.176 0.049 1
1 664 . 5 1 1 A 60 60 ALA C C 60 179.680 179.586 0.094 1
1 665 . 5 1 1 A 60 60 ALA CA C 60 55.051 55.138 -0.087 1
1 666 . 5 1 1 A 60 60 ALA CB C 60 17.817 18.511 -0.694 1
1 667 . 5 1 1 A 60 60 ALA N N 60 121.387 122.394 -1.007 1
1 668 . 5 1 1 A 61 61 LYS H H 61 7.452 7.895 -0.443 1
1 669 . 5 1 1 A 61 61 LYS HA H 61 4.042 4.084 -0.042 1
1 676 . 5 1 1 A 61 61 LYS C C 61 178.078 178.507 -0.429 1
1 677 . 5 1 1 A 61 61 LYS CA C 61 58.472 59.292 -0.820 1
1 678 . 5 1 1 A 61 61 LYS CB C 61 32.734 32.112 0.622 1
1 682 . 5 1 1 A 61 61 LYS N N 61 118.087 118.125 -0.038 1
1 683 . 5 1 1 A 62 62 TRP H H 62 8.008 7.951 0.057 1
1 684 . 5 1 1 A 62 62 TRP HA H 62 4.632 4.370 0.262 1
1 693 . 5 1 1 A 62 62 TRP C C 62 177.471 177.976 -0.505 1
1 694 . 5 1 1 A 62 62 TRP CA C 62 59.120 60.842 -1.722 1
1 695 . 5 1 1 A 62 62 TRP CB C 62 29.366 30.163 -0.797 1
1 701 . 5 1 1 A 62 62 TRP N N 62 121.749 121.846 -0.097 1
1 703 . 5 1 1 A 63 63 ARG H H 63 8.286 8.585 -0.299 1
1 704 . 5 1 1 A 63 63 ARG HA H 63 3.736 3.048 0.688 1
1 711 . 5 1 1 A 63 63 ARG C C 63 176.888 178.148 -1.260 1
1 712 . 5 1 1 A 63 63 ARG CA C 63 57.385 58.261 -0.876 1
1 713 . 5 1 1 A 63 63 ARG CB C 63 30.726 30.131 0.595 1
1 716 . 5 1 1 A 63 63 ARG N N 63 119.622 118.491 1.131 1
1 717 . 5 1 1 A 64 64 ARG H H 64 7.670 7.376 0.294 1
1 718 . 5 1 1 A 64 64 ARG HA H 64 4.196 4.130 0.066 1
1 723 . 5 1 1 A 64 64 ARG C C 64 176.645 176.129 0.516 1
1 724 . 5 1 1 A 64 64 ARG CA C 64 56.956 58.324 -1.368 1
1 725 . 5 1 1 A 64 64 ARG CB C 64 30.369 30.708 -0.339 1
1 728 . 5 1 1 A 64 64 ARG N N 64 119.096 118.320 0.776 1
1 729 . 5 1 1 A 65 65 SER H H 65 7.962 7.663 0.299 1
1 730 . 5 1 1 A 65 65 SER HA H 65 4.474 4.707 -0.233 1
1 733 . 5 1 1 A 65 65 SER C C 65 174.435 172.892 1.543 1
1 734 . 5 1 1 A 65 65 SER CA C 65 58.837 57.381 1.456 1
1 735 . 5 1 1 A 65 65 SER CB C 65 63.947 65.441 -1.494 1
1 736 . 5 1 1 A 65 65 SER N N 65 115.352 109.664 5.688 1
1 737 . 5 1 1 A 66 66 GLY H H 66 8.031 8.397 -0.366 1
1 738 . 5 1 1 A 66 66 GLY HA2 H 66 4.068 4.174 -0.106 1
1 739 . 5 1 1 A 66 66 GLY C C 66 171.813 174.198 -2.385 1
1 740 . 5 1 1 A 66 66 GLY CA C 66 44.800 45.381 -0.581 1
1 741 . 5 1 1 A 66 66 GLY N N 66 110.503 110.865 -0.362 1
1 742 . 5 1 1 A 67 67 PRO HA H 67 4.456 4.411 0.045 1
1 747 . 5 1 1 A 67 67 PRO CA C 67 63.352 64.699 -1.347 1
1 748 . 5 1 1 A 67 67 PRO CB C 67 32.167 31.906 0.261 1
1 751 . 5 1 1 A 68 68 SER HA H 68 4.457 4.260 0.197 1
1 754 . 5 1 1 A 68 68 SER C C 68 174.654 177.386 -2.732 1
1 755 . 5 1 1 A 68 68 SER CA C 68 58.612 61.258 -2.646 1
1 756 . 5 1 1 A 68 68 SER CB C 68 63.845 62.953 0.892 1
1 757 . 5 1 1 A 69 69 SER HA H 69 4.491 4.228 0.263 1
1 760 . 5 1 1 A 69 69 SER C C 69 173.925 174.939 -1.014 1
1 761 . 5 1 1 A 69 69 SER CA C 69 58.423 60.941 -2.518 1
1 762 . 5 1 1 A 69 69 SER CB C 69 63.969 63.775 0.194 1
1 1 . 6 1 1 A 10 10 HIS HA H 10 4.605 4.450 0.155 1
1 5 . 6 1 1 A 10 10 HIS CA C 10 56.397 57.565 -1.168 1
1 6 . 6 1 1 A 10 10 HIS CB C 10 29.857 30.041 -0.184 1
1 8 . 6 1 1 A 12 12 THR HA H 12 4.305 4.895 -0.590 1
1 13 . 6 1 1 A 12 12 THR C C 12 173.925 174.330 -0.405 1
1 14 . 6 1 1 A 12 12 THR CA C 12 62.068 61.462 0.606 1
1 15 . 6 1 1 A 12 12 THR CB C 12 69.817 71.412 -1.595 1
1 17 . 6 1 1 A 13 13 ILE H H 13 8.188 8.409 -0.221 1
1 18 . 6 1 1 A 13 13 ILE HA H 13 4.139 4.133 0.006 1
1 28 . 6 1 1 A 13 13 ILE C C 13 175.795 175.594 0.201 1
1 29 . 6 1 1 A 13 13 ILE CA C 13 61.202 59.931 1.271 1
1 30 . 6 1 1 A 13 13 ILE CB C 13 38.686 39.651 -0.965 1
1 34 . 6 1 1 A 13 13 ILE N N 13 123.673 123.684 -0.011 1
1 35 . 6 1 1 A 14 14 PHE H H 14 8.178 8.870 -0.692 1
1 36 . 6 1 1 A 14 14 PHE HA H 14 4.977 4.948 0.029 1
1 44 . 6 1 1 A 14 14 PHE C C 14 176.475 175.792 0.683 1
1 45 . 6 1 1 A 14 14 PHE CA C 14 57.025 57.461 -0.436 1
1 46 . 6 1 1 A 14 14 PHE CB C 14 41.482 40.018 1.464 1
1 52 . 6 1 1 A 14 14 PHE N N 14 122.586 120.967 1.619 1
1 53 . 6 1 1 A 15 15 THR H H 15 8.792 8.744 0.048 1
1 54 . 6 1 1 A 15 15 THR HA H 15 4.462 4.630 -0.168 1
1 59 . 6 1 1 A 15 15 THR C C 15 175.261 175.593 -0.332 1
1 60 . 6 1 1 A 15 15 THR CA C 15 60.623 60.891 -0.268 1
1 61 . 6 1 1 A 15 15 THR CB C 15 70.645 71.038 -0.393 1
1 63 . 6 1 1 A 15 15 THR N N 15 113.201 115.420 -2.219 1
1 64 . 6 1 1 A 16 16 ASP H H 16 9.018 9.130 -0.112 1
1 65 . 6 1 1 A 16 16 ASP HA H 16 4.371 4.340 0.031 1
1 68 . 6 1 1 A 16 16 ASP C C 16 178.806 178.336 0.470 1
1 69 . 6 1 1 A 16 16 ASP CA C 16 58.163 57.187 0.976 1
1 70 . 6 1 1 A 16 16 ASP CB C 16 39.689 39.880 -0.191 1
1 71 . 6 1 1 A 16 16 ASP N N 16 121.802 121.464 0.338 1
1 72 . 6 1 1 A 17 17 GLU H H 17 8.785 8.300 0.485 1
1 73 . 6 1 1 A 17 17 GLU HA H 17 4.054 3.968 0.086 1
1 78 . 6 1 1 A 17 17 GLU C C 17 180.044 179.058 0.986 1
1 79 . 6 1 1 A 17 17 GLU CA C 17 59.706 59.772 -0.066 1
1 80 . 6 1 1 A 17 17 GLU CB C 17 29.520 29.194 0.326 1
1 82 . 6 1 1 A 17 17 GLU N N 17 119.474 119.227 0.247 1
1 83 . 6 1 1 A 18 18 GLN H H 18 7.700 7.713 -0.013 1
1 84 . 6 1 1 A 18 18 GLN HA H 18 3.665 3.738 -0.073 1
1 91 . 6 1 1 A 18 18 GLN C C 18 177.009 178.849 -1.840 1
1 92 . 6 1 1 A 18 18 GLN CA C 18 59.354 59.173 0.181 1
1 93 . 6 1 1 A 18 18 GLN CB C 18 27.377 28.153 -0.776 1
1 95 . 6 1 1 A 18 18 GLN N N 18 119.784 118.983 0.801 1
1 97 . 6 1 1 A 19 19 LEU H H 19 8.383 8.229 0.154 1
1 98 . 6 1 1 A 19 19 LEU HA H 19 3.585 3.506 0.079 1
1 108 . 6 1 1 A 19 19 LEU C C 19 178.830 178.443 0.387 1
1 109 . 6 1 1 A 19 19 LEU CA C 19 57.908 57.676 0.232 1
1 110 . 6 1 1 A 19 19 LEU CB C 19 41.703 41.031 0.672 1
1 114 . 6 1 1 A 19 19 LEU N N 19 117.889 119.227 -1.338 1
1 115 . 6 1 1 A 20 20 GLU H H 20 8.119 8.615 -0.496 1
1 116 . 6 1 1 A 20 20 GLU HA H 20 3.897 3.901 -0.004 1
1 121 . 6 1 1 A 20 20 GLU C C 20 178.126 178.472 -0.346 1
1 122 . 6 1 1 A 20 20 GLU CA C 20 59.248 59.624 -0.376 1
1 123 . 6 1 1 A 20 20 GLU CB C 20 29.697 29.382 0.315 1
1 125 . 6 1 1 A 20 20 GLU N N 20 118.697 119.544 -0.847 1
1 126 . 6 1 1 A 21 21 ALA H H 21 7.309 7.698 -0.389 1
1 127 . 6 1 1 A 21 21 ALA HA H 21 4.057 4.042 0.015 1
1 131 . 6 1 1 A 21 21 ALA C C 21 180.773 179.930 0.843 1
1 132 . 6 1 1 A 21 21 ALA CA C 21 54.947 55.108 -0.161 1
1 133 . 6 1 1 A 21 21 ALA CB C 21 18.888 18.187 0.701 1
1 134 . 6 1 1 A 21 21 ALA N N 21 120.540 121.001 -0.461 1
1 135 . 6 1 1 A 22 22 LEU H H 22 8.070 7.787 0.283 1
1 136 . 6 1 1 A 22 22 LEU HA H 22 3.428 3.731 -0.303 1
1 146 . 6 1 1 A 22 22 LEU C C 22 177.131 178.642 -1.511 1
1 147 . 6 1 1 A 22 22 LEU CA C 22 58.408 57.675 0.733 1
1 148 . 6 1 1 A 22 22 LEU CB C 22 38.173 41.036 -2.863 1
1 152 . 6 1 1 A 22 22 LEU N N 22 121.563 118.281 3.282 1
1 153 . 6 1 1 A 23 23 GLU H H 23 7.997 8.307 -0.310 1
1 154 . 6 1 1 A 23 23 GLU HA H 23 4.289 4.099 0.190 1
1 159 . 6 1 1 A 23 23 GLU C C 23 179.510 179.387 0.123 1
1 160 . 6 1 1 A 23 23 GLU CA C 23 58.734 59.908 -1.174 1
1 161 . 6 1 1 A 23 23 GLU CB C 23 28.879 29.148 -0.269 1
1 163 . 6 1 1 A 23 23 GLU N N 23 118.641 117.058 1.583 1
1 164 . 6 1 1 A 24 24 ASN H H 24 8.282 7.944 0.338 1
1 165 . 6 1 1 A 24 24 ASN HA H 24 4.443 4.508 -0.065 1
1 170 . 6 1 1 A 24 24 ASN C C 24 178.563 177.900 0.663 1
1 171 . 6 1 1 A 24 24 ASN CA C 24 56.145 56.005 0.140 1
1 172 . 6 1 1 A 24 24 ASN CB C 24 38.055 38.269 -0.214 1
1 173 . 6 1 1 A 24 24 ASN N N 24 117.495 118.290 -0.795 1
1 175 . 6 1 1 A 25 25 LEU H H 25 7.852 7.982 -0.130 1
1 176 . 6 1 1 A 25 25 LEU HA H 25 4.445 4.268 0.177 1
1 186 . 6 1 1 A 25 25 LEU C C 25 177.276 178.432 -1.156 1
1 187 . 6 1 1 A 25 25 LEU CA C 25 57.963 57.428 0.535 1
1 188 . 6 1 1 A 25 25 LEU CB C 25 40.400 42.329 -1.929 1
1 192 . 6 1 1 A 25 25 LEU N N 25 121.261 121.031 0.230 1
1 193 . 6 1 1 A 26 26 PHE H H 26 8.711 8.878 -0.167 1
1 194 . 6 1 1 A 26 26 PHE HA H 26 4.628 4.503 0.125 1
1 202 . 6 1 1 A 26 26 PHE C C 26 176.232 177.983 -1.751 1
1 203 . 6 1 1 A 26 26 PHE CA C 26 61.011 61.077 -0.066 1
1 204 . 6 1 1 A 26 26 PHE CB C 26 38.906 38.746 0.160 1
1 210 . 6 1 1 A 26 26 PHE N N 26 120.816 119.525 1.291 1
1 211 . 6 1 1 A 27 27 GLN H H 27 8.007 8.085 -0.078 1
1 212 . 6 1 1 A 27 27 GLN HA H 27 3.665 3.607 0.058 1
1 219 . 6 1 1 A 27 27 GLN C C 27 177.106 178.868 -1.762 1
1 220 . 6 1 1 A 27 27 GLN CA C 27 57.892 59.339 -1.447 1
1 221 . 6 1 1 A 27 27 GLN CB C 27 28.195 28.918 -0.723 1
1 223 . 6 1 1 A 27 27 GLN N N 27 114.037 118.124 -4.087 1
1 225 . 6 1 1 A 28 28 GLU H H 28 7.467 8.560 -1.093 1
1 226 . 6 1 1 A 28 28 GLU HA H 28 4.190 4.155 0.035 1
1 231 . 6 1 1 A 28 28 GLU C C 28 177.106 176.098 1.008 1
1 232 . 6 1 1 A 28 28 GLU CA C 28 58.138 58.705 -0.567 1
1 233 . 6 1 1 A 28 28 GLU CB C 28 30.756 29.069 1.687 1
1 235 . 6 1 1 A 28 28 GLU N N 28 119.193 117.042 2.151 1
1 236 . 6 1 1 A 29 29 THR H H 29 8.971 7.834 1.137 1
1 237 . 6 1 1 A 29 29 THR HA H 29 4.321 4.574 -0.253 1
1 242 . 6 1 1 A 29 29 THR C C 29 170.526 173.997 -3.471 1
1 243 . 6 1 1 A 29 29 THR CA C 29 59.885 60.167 -0.282 1
1 244 . 6 1 1 A 29 29 THR CB C 29 69.656 70.929 -1.273 1
1 246 . 6 1 1 A 29 29 THR N N 29 116.904 113.475 3.429 1
1 247 . 6 1 1 A 30 30 LYS H H 30 7.942 8.393 -0.451 1
1 248 . 6 1 1 A 30 30 LYS HA H 30 3.765 3.665 0.100 1
1 257 . 6 1 1 A 30 30 LYS C C 30 175.844 176.352 -0.508 1
1 258 . 6 1 1 A 30 30 LYS CA C 30 56.583 58.435 -1.852 1
1 259 . 6 1 1 A 30 30 LYS CB C 30 32.421 32.611 -0.190 1
1 263 . 6 1 1 A 30 30 LYS N N 30 123.132 126.700 -3.568 1
1 264 . 6 1 1 A 31 31 TYR H H 31 7.788 7.893 -0.105 1
1 265 . 6 1 1 A 31 31 TYR HA H 31 4.608 5.138 -0.530 1
1 272 . 6 1 1 A 31 31 TYR C C 31 172.687 173.421 -0.734 1
1 273 . 6 1 1 A 31 31 TYR CA C 31 54.864 54.526 0.338 1
1 274 . 6 1 1 A 31 31 TYR CB C 31 38.777 38.897 -0.120 1
1 279 . 6 1 1 A 31 31 TYR N N 31 113.626 116.965 -3.339 1
1 280 . 6 1 1 A 32 32 PRO HA H 32 4.399 4.597 -0.198 1
1 287 . 6 1 1 A 32 32 PRO C C 32 177.203 175.221 1.982 1
1 288 . 6 1 1 A 32 32 PRO CA C 32 62.668 62.385 0.283 1
1 289 . 6 1 1 A 32 32 PRO CB C 32 31.394 32.775 -1.381 1
1 292 . 6 1 1 A 33 33 ASP H H 33 8.548 8.621 -0.073 1
1 293 . 6 1 1 A 33 33 ASP HA H 33 4.473 4.983 -0.510 1
1 296 . 6 1 1 A 33 33 ASP C C 33 175.989 176.467 -0.478 1
1 297 . 6 1 1 A 33 33 ASP CA C 33 52.775 52.388 0.387 1
1 298 . 6 1 1 A 33 33 ASP CB C 33 41.295 43.679 -2.384 1
1 299 . 6 1 1 A 33 33 ASP N N 33 123.152 121.396 1.756 1
1 300 . 6 1 1 A 34 34 VAL H H 34 8.493 8.543 -0.050 1
1 301 . 6 1 1 A 34 34 VAL HA H 34 3.522 3.832 -0.310 1
1 309 . 6 1 1 A 34 34 VAL C C 34 177.203 178.183 -0.980 1
1 310 . 6 1 1 A 34 34 VAL CA C 34 66.618 65.771 0.847 1
1 311 . 6 1 1 A 34 34 VAL CB C 34 31.697 31.481 0.216 1
1 314 . 6 1 1 A 34 34 VAL N N 34 119.474 124.513 -5.039 1
1 315 . 6 1 1 A 35 35 GLY H H 35 8.389 8.270 0.119 1
1 316 . 6 1 1 A 35 35 GLY HA2 H 35 3.901 3.821 0.080 1
1 317 . 6 1 1 A 35 35 GLY HA3 H 35 3.901 3.821 0.080 1
1 318 . 6 1 1 A 35 35 GLY C C 35 176.985 176.577 0.408 1
1 319 . 6 1 1 A 35 35 GLY CA C 35 46.976 47.512 -0.536 1
1 320 . 6 1 1 A 35 35 GLY N N 35 109.478 108.763 0.715 1
1 321 . 6 1 1 A 36 36 THR H H 36 8.142 7.930 0.212 1
1 322 . 6 1 1 A 36 36 THR HA H 36 3.918 4.085 -0.167 1
1 327 . 6 1 1 A 36 36 THR C C 36 177.616 176.682 0.934 1
1 328 . 6 1 1 A 36 36 THR CA C 36 66.957 66.066 0.891 1
1 329 . 6 1 1 A 36 36 THR CB C 36 67.887 68.831 -0.944 1
1 331 . 6 1 1 A 36 36 THR N N 36 121.210 117.642 3.568 1
1 332 . 6 1 1 A 37 37 ARG H H 37 8.396 8.206 0.190 1
1 333 . 6 1 1 A 37 37 ARG HA H 37 3.712 3.950 -0.238 1
1 341 . 6 1 1 A 37 37 ARG C C 37 177.980 179.289 -1.309 1
1 342 . 6 1 1 A 37 37 ARG CA C 37 61.187 59.766 1.421 1
1 343 . 6 1 1 A 37 37 ARG CB C 37 31.250 30.143 1.107 1
1 346 . 6 1 1 A 37 37 ARG N N 37 121.196 120.535 0.661 1
1 348 . 6 1 1 A 38 38 GLU H H 38 8.843 8.515 0.328 1
1 349 . 6 1 1 A 38 38 GLU HA H 38 3.905 4.002 -0.097 1
1 354 . 6 1 1 A 38 38 GLU C C 38 178.636 179.169 -0.533 1
1 355 . 6 1 1 A 38 38 GLU CA C 38 59.797 59.188 0.609 1
1 356 . 6 1 1 A 38 38 GLU CB C 38 29.529 29.133 0.396 1
1 358 . 6 1 1 A 38 38 GLU N N 38 119.875 119.586 0.289 1
1 359 . 6 1 1 A 39 39 GLN H H 39 7.939 7.481 0.458 1
1 360 . 6 1 1 A 39 39 GLN HA H 39 3.977 3.975 0.002 1
1 367 . 6 1 1 A 39 39 GLN C C 39 178.782 177.785 0.997 1
1 368 . 6 1 1 A 39 39 GLN CA C 39 59.078 58.935 0.143 1
1 369 . 6 1 1 A 39 39 GLN CB C 39 28.426 28.223 0.203 1
1 371 . 6 1 1 A 39 39 GLN N N 39 118.456 118.879 -0.423 1
1 373 . 6 1 1 A 40 40 LEU H H 40 7.515 8.439 -0.924 1
1 374 . 6 1 1 A 40 40 LEU HA H 40 4.129 4.019 0.110 1
1 384 . 6 1 1 A 40 40 LEU C C 40 178.150 178.233 -0.083 1
1 385 . 6 1 1 A 40 40 LEU CA C 40 58.273 58.055 0.218 1
1 386 . 6 1 1 A 40 40 LEU CB C 40 41.194 41.254 -0.060 1
1 390 . 6 1 1 A 40 40 LEU N N 40 121.414 122.030 -0.616 1
1 391 . 6 1 1 A 41 41 ALA H H 41 8.577 8.737 -0.160 1
1 392 . 6 1 1 A 41 41 ALA HA H 41 3.650 4.064 -0.414 1
1 396 . 6 1 1 A 41 41 ALA C C 41 179.559 180.353 -0.794 1
1 397 . 6 1 1 A 41 41 ALA CA C 41 55.925 55.487 0.438 1
1 398 . 6 1 1 A 41 41 ALA CB C 41 17.487 18.544 -1.057 1
1 399 . 6 1 1 A 41 41 ALA N N 41 121.362 121.285 0.077 1
1 400 . 6 1 1 A 42 42 ARG H H 42 7.986 7.856 0.130 1
1 401 . 6 1 1 A 42 42 ARG HA H 42 4.083 4.073 0.010 1
1 408 . 6 1 1 A 42 42 ARG C C 42 179.000 178.681 0.319 1
1 409 . 6 1 1 A 42 42 ARG CA C 42 58.578 59.608 -1.030 1
1 410 . 6 1 1 A 42 42 ARG CB C 42 30.495 29.984 0.511 1
1 413 . 6 1 1 A 42 42 ARG N N 42 114.579 117.586 -3.007 1
1 414 . 6 1 1 A 43 43 LYS H H 43 7.706 7.863 -0.157 1
1 415 . 6 1 1 A 43 43 LYS HA H 43 4.023 3.966 0.057 1
1 424 . 6 1 1 A 43 43 LYS C C 43 178.248 178.224 0.024 1
1 425 . 6 1 1 A 43 43 LYS CA C 43 59.177 58.861 0.316 1
1 426 . 6 1 1 A 43 43 LYS CB C 43 33.134 32.424 0.710 1
1 430 . 6 1 1 A 43 43 LYS N N 43 119.896 119.711 0.185 1
1 431 . 6 1 1 A 44 44 VAL H H 44 7.681 7.435 0.246 1
1 432 . 6 1 1 A 44 44 VAL HA H 44 4.522 4.310 0.212 1
1 440 . 6 1 1 A 44 44 VAL C C 44 174.654 174.720 -0.066 1
1 441 . 6 1 1 A 44 44 VAL CA C 44 59.912 60.992 -1.080 1
1 442 . 6 1 1 A 44 44 VAL CB C 44 30.979 31.485 -0.506 1
1 445 . 6 1 1 A 44 44 VAL N N 44 105.042 110.146 -5.104 1
1 446 . 6 1 1 A 45 45 HIS H H 45 7.398 7.718 -0.320 1
1 447 . 6 1 1 A 45 45 HIS HA H 45 4.293 4.192 0.101 1
1 451 . 6 1 1 A 45 45 HIS C C 45 174.144 173.949 0.195 1
1 452 . 6 1 1 A 45 45 HIS CA C 45 56.956 56.653 0.303 1
1 453 . 6 1 1 A 45 45 HIS CB C 45 26.353 26.598 -0.245 1
1 455 . 6 1 1 A 45 45 HIS N N 45 117.892 116.094 1.798 1
1 456 . 6 1 1 A 46 46 LEU H H 46 8.571 7.853 0.718 1
1 457 . 6 1 1 A 46 46 LEU HA H 46 4.855 4.947 -0.092 1
1 467 . 6 1 1 A 46 46 LEU C C 46 176.256 175.187 1.069 1
1 468 . 6 1 1 A 46 46 LEU CA C 46 52.689 53.364 -0.675 1
1 469 . 6 1 1 A 46 46 LEU CB C 46 47.746 45.885 1.861 1
1 473 . 6 1 1 A 46 46 LEU N N 46 119.288 118.638 0.650 1
1 474 . 6 1 1 A 47 47 ARG H H 47 7.979 8.734 -0.755 1
1 475 . 6 1 1 A 47 47 ARG HA H 47 4.439 4.574 -0.135 1
1 482 . 6 1 1 A 47 47 ARG C C 47 178.830 177.211 1.619 1
1 483 . 6 1 1 A 47 47 ARG CA C 47 55.871 55.278 0.593 1
1 484 . 6 1 1 A 47 47 ARG CB C 47 30.838 31.741 -0.903 1
1 487 . 6 1 1 A 47 47 ARG N N 47 119.085 119.887 -0.802 1
1 488 . 6 1 1 A 48 48 GLU H H 48 9.642 9.224 0.418 1
1 489 . 6 1 1 A 48 48 GLU HA H 48 3.644 3.911 -0.267 1
1 494 . 6 1 1 A 48 48 GLU C C 48 178.515 178.266 0.249 1
1 495 . 6 1 1 A 48 48 GLU CA C 48 61.612 60.385 1.227 1
1 496 . 6 1 1 A 48 48 GLU CB C 48 28.860 29.716 -0.856 1
1 498 . 6 1 1 A 48 48 GLU N N 48 125.963 125.633 0.330 1
1 499 . 6 1 1 A 49 49 GLU H H 49 9.638 8.477 1.161 1
1 500 . 6 1 1 A 49 49 GLU HA H 49 4.239 4.102 0.137 1
1 505 . 6 1 1 A 49 49 GLU C C 49 178.927 179.076 -0.149 1
1 506 . 6 1 1 A 49 49 GLU CA C 49 59.681 59.388 0.293 1
1 507 . 6 1 1 A 49 49 GLU CB C 49 28.531 29.494 -0.963 1
1 509 . 6 1 1 A 49 49 GLU N N 49 118.929 117.397 1.532 1
1 510 . 6 1 1 A 50 50 LYS H H 50 7.398 8.207 -0.809 1
1 511 . 6 1 1 A 50 50 LYS HA H 50 4.318 4.168 0.150 1
1 520 . 6 1 1 A 50 50 LYS C C 50 179.486 179.277 0.209 1
1 521 . 6 1 1 A 50 50 LYS CA C 50 58.084 59.508 -1.424 1
1 522 . 6 1 1 A 50 50 LYS CB C 50 32.487 32.405 0.082 1
1 526 . 6 1 1 A 50 50 LYS N N 50 117.569 120.088 -2.519 1
1 527 . 6 1 1 A 51 51 VAL H H 51 7.614 8.115 -0.501 1
1 528 . 6 1 1 A 51 51 VAL HA H 51 3.739 3.648 0.091 1
1 536 . 6 1 1 A 51 51 VAL C C 51 177.641 178.222 -0.581 1
1 537 . 6 1 1 A 51 51 VAL CA C 51 66.900 66.933 -0.033 1
1 538 . 6 1 1 A 51 51 VAL CB C 51 31.876 31.459 0.417 1
1 541 . 6 1 1 A 51 51 VAL N N 51 120.291 120.308 -0.017 1
1 542 . 6 1 1 A 52 52 GLU H H 52 8.274 7.797 0.477 1
1 543 . 6 1 1 A 52 52 GLU HA H 52 4.198 3.964 0.234 1
1 547 . 6 1 1 A 52 52 GLU C C 52 179.073 178.775 0.298 1
1 548 . 6 1 1 A 52 52 GLU CA C 52 60.434 59.338 1.096 1
1 549 . 6 1 1 A 52 52 GLU CB C 52 29.073 29.608 -0.535 1
1 551 . 6 1 1 A 52 52 GLU N N 52 120.105 120.496 -0.391 1
1 552 . 6 1 1 A 53 53 VAL H H 53 7.936 7.812 0.124 1
1 553 . 6 1 1 A 53 53 VAL HA H 53 3.692 3.752 -0.060 1
1 561 . 6 1 1 A 53 53 VAL C C 53 177.592 178.126 -0.534 1
1 562 . 6 1 1 A 53 53 VAL CA C 53 66.935 66.610 0.325 1
1 563 . 6 1 1 A 53 53 VAL CB C 53 32.273 31.896 0.377 1
1 566 . 6 1 1 A 53 53 VAL N N 53 119.238 119.401 -0.163 1
1 567 . 6 1 1 A 54 54 TRP H H 54 8.321 8.009 0.312 1
1 568 . 6 1 1 A 54 54 TRP HA H 54 4.083 4.168 -0.085 1
1 577 . 6 1 1 A 54 54 TRP C C 54 179.802 178.264 1.538 1
1 578 . 6 1 1 A 54 54 TRP CA C 54 63.129 60.992 2.137 1
1 579 . 6 1 1 A 54 54 TRP CB C 54 28.635 29.262 -0.627 1
1 585 . 6 1 1 A 54 54 TRP N N 54 121.382 121.139 0.243 1
1 587 . 6 1 1 A 55 55 PHE H H 55 8.834 7.979 0.855 1
1 588 . 6 1 1 A 55 55 PHE HA H 55 3.676 3.799 -0.123 1
1 596 . 6 1 1 A 55 55 PHE C C 55 178.150 178.163 -0.013 1
1 597 . 6 1 1 A 55 55 PHE CA C 55 64.096 62.011 2.085 1
1 598 . 6 1 1 A 55 55 PHE CB C 55 39.358 38.405 0.953 1
1 604 . 6 1 1 A 55 55 PHE N N 55 118.755 118.169 0.586 1
1 605 . 6 1 1 A 56 56 LYS H H 56 8.241 7.956 0.285 1
1 606 . 6 1 1 A 56 56 LYS HA H 56 3.977 3.918 0.059 1
1 612 . 6 1 1 A 56 56 LYS C C 56 180.166 179.806 0.360 1
1 613 . 6 1 1 A 56 56 LYS CA C 56 60.744 59.245 1.499 1
1 614 . 6 1 1 A 56 56 LYS CB C 56 32.322 32.641 -0.319 1
1 618 . 6 1 1 A 56 56 LYS N N 56 120.065 118.543 1.522 1
1 619 . 6 1 1 A 57 57 ASN H H 57 8.084 8.066 0.018 1
1 620 . 6 1 1 A 57 57 ASN HA H 57 4.367 4.349 0.018 1
1 625 . 6 1 1 A 57 57 ASN C C 57 177.422 178.275 -0.853 1
1 626 . 6 1 1 A 57 57 ASN CA C 57 55.660 56.337 -0.677 1
1 627 . 6 1 1 A 57 57 ASN CB C 57 38.008 37.572 0.436 1
1 628 . 6 1 1 A 57 57 ASN N N 57 118.967 118.039 0.928 1
1 630 . 6 1 1 A 58 58 ARG H H 58 8.575 7.341 1.234 1
1 631 . 6 1 1 A 58 58 ARG HA H 58 3.463 3.673 -0.210 1
1 639 . 6 1 1 A 58 58 ARG C C 58 180.044 178.307 1.737 1
1 640 . 6 1 1 A 58 58 ARG CA C 58 56.568 59.215 -2.647 1
1 641 . 6 1 1 A 58 58 ARG CB C 58 28.155 29.220 -1.065 1
1 644 . 6 1 1 A 58 58 ARG N N 58 124.441 119.304 5.137 1
1 646 . 6 1 1 A 59 59 ARG H H 59 8.490 8.009 0.481 1
1 647 . 6 1 1 A 59 59 ARG HA H 59 4.334 4.115 0.219 1
1 653 . 6 1 1 A 59 59 ARG C C 59 178.223 178.609 -0.386 1
1 654 . 6 1 1 A 59 59 ARG CA C 59 60.699 59.626 1.073 1
1 655 . 6 1 1 A 59 59 ARG CB C 59 31.905 30.115 1.790 1
1 658 . 6 1 1 A 59 59 ARG N N 59 118.847 119.266 -0.419 1
1 659 . 6 1 1 A 60 60 ALA H H 60 7.459 7.708 -0.249 1
1 660 . 6 1 1 A 60 60 ALA HA H 60 4.225 4.136 0.089 1
1 664 . 6 1 1 A 60 60 ALA C C 60 179.680 179.243 0.437 1
1 665 . 6 1 1 A 60 60 ALA CA C 60 55.051 54.887 0.164 1
1 666 . 6 1 1 A 60 60 ALA CB C 60 17.817 18.329 -0.512 1
1 667 . 6 1 1 A 60 60 ALA N N 60 121.387 120.313 1.074 1
1 668 . 6 1 1 A 61 61 LYS H H 61 7.452 8.054 -0.602 1
1 669 . 6 1 1 A 61 61 LYS HA H 61 4.042 4.072 -0.030 1
1 676 . 6 1 1 A 61 61 LYS C C 61 178.078 178.755 -0.677 1
1 677 . 6 1 1 A 61 61 LYS CA C 61 58.472 59.398 -0.926 1
1 678 . 6 1 1 A 61 61 LYS CB C 61 32.734 32.181 0.553 1
1 682 . 6 1 1 A 61 61 LYS N N 61 118.087 118.239 -0.152 1
1 683 . 6 1 1 A 62 62 TRP H H 62 8.008 8.152 -0.144 1
1 684 . 6 1 1 A 62 62 TRP HA H 62 4.632 4.328 0.304 1
1 693 . 6 1 1 A 62 62 TRP C C 62 177.471 178.590 -1.119 1
1 694 . 6 1 1 A 62 62 TRP CA C 62 59.120 60.581 -1.461 1
1 695 . 6 1 1 A 62 62 TRP CB C 62 29.366 29.453 -0.087 1
1 701 . 6 1 1 A 62 62 TRP N N 62 121.749 122.011 -0.262 1
1 703 . 6 1 1 A 63 63 ARG H H 63 8.286 8.696 -0.410 1
1 704 . 6 1 1 A 63 63 ARG HA H 63 3.736 3.630 0.106 1
1 711 . 6 1 1 A 63 63 ARG C C 63 176.888 177.446 -0.558 1
1 712 . 6 1 1 A 63 63 ARG CA C 63 57.385 57.489 -0.104 1
1 713 . 6 1 1 A 63 63 ARG CB C 63 30.726 29.493 1.233 1
1 716 . 6 1 1 A 63 63 ARG N N 63 119.622 118.568 1.054 1
1 717 . 6 1 1 A 64 64 ARG H H 64 7.670 8.437 -0.767 1
1 718 . 6 1 1 A 64 64 ARG HA H 64 4.196 4.064 0.132 1
1 723 . 6 1 1 A 64 64 ARG C C 64 176.645 178.273 -1.628 1
1 724 . 6 1 1 A 64 64 ARG CA C 64 56.956 58.729 -1.773 1
1 725 . 6 1 1 A 64 64 ARG CB C 64 30.369 29.751 0.618 1
1 728 . 6 1 1 A 64 64 ARG N N 64 119.096 120.816 -1.720 1
1 729 . 6 1 1 A 65 65 SER H H 65 7.962 7.841 0.121 1
1 730 . 6 1 1 A 65 65 SER HA H 65 4.474 4.184 0.290 1
1 733 . 6 1 1 A 65 65 SER C C 65 174.435 174.682 -0.247 1
1 734 . 6 1 1 A 65 65 SER CA C 65 58.837 62.237 -3.400 1
1 735 . 6 1 1 A 65 65 SER CB C 65 63.947 62.837 1.110 1
1 736 . 6 1 1 A 65 65 SER N N 65 115.352 115.593 -0.241 1
1 737 . 6 1 1 A 66 66 GLY H H 66 8.031 7.708 0.323 1
1 738 . 6 1 1 A 66 66 GLY HA2 H 66 4.068 4.106 -0.038 1
1 739 . 6 1 1 A 66 66 GLY C C 66 171.813 172.528 -0.715 1
1 740 . 6 1 1 A 66 66 GLY CA C 66 44.800 43.882 0.918 1
1 741 . 6 1 1 A 66 66 GLY N N 66 110.503 105.457 5.046 1
1 742 . 6 1 1 A 67 67 PRO HA H 67 4.456 4.518 -0.062 1
1 747 . 6 1 1 A 67 67 PRO CA C 67 63.352 62.317 1.035 1
1 748 . 6 1 1 A 67 67 PRO CB C 67 32.167 33.234 -1.067 1
1 751 . 6 1 1 A 68 68 SER HA H 68 4.457 4.195 0.262 1
1 754 . 6 1 1 A 68 68 SER C C 68 174.654 176.436 -1.782 1
1 755 . 6 1 1 A 68 68 SER CA C 68 58.612 61.526 -2.914 1
1 756 . 6 1 1 A 68 68 SER CB C 68 63.845 62.825 1.020 1
1 757 . 6 1 1 A 69 69 SER HA H 69 4.491 4.204 0.287 1
1 760 . 6 1 1 A 69 69 SER C C 69 173.925 175.673 -1.748 1
1 761 . 6 1 1 A 69 69 SER CA C 69 58.423 62.457 -4.034 1
1 762 . 6 1 1 A 69 69 SER CB C 69 63.969 62.491 1.478 1
1 1 . 7 1 1 A 10 10 HIS HA H 10 4.605 5.308 -0.703 1
1 5 . 7 1 1 A 10 10 HIS CA C 10 56.397 54.613 1.784 1
1 6 . 7 1 1 A 10 10 HIS CB C 10 29.857 33.407 -3.550 1
1 8 . 7 1 1 A 12 12 THR HA H 12 4.305 4.739 -0.434 1
1 13 . 7 1 1 A 12 12 THR C C 12 173.925 174.034 -0.109 1
1 14 . 7 1 1 A 12 12 THR CA C 12 62.068 62.408 -0.340 1
1 15 . 7 1 1 A 12 12 THR CB C 12 69.817 70.352 -0.535 1
1 17 . 7 1 1 A 13 13 ILE H H 13 8.188 8.451 -0.263 1
1 18 . 7 1 1 A 13 13 ILE HA H 13 4.139 3.940 0.199 1
1 28 . 7 1 1 A 13 13 ILE C C 13 175.795 176.410 -0.615 1
1 29 . 7 1 1 A 13 13 ILE CA C 13 61.202 64.298 -3.096 1
1 30 . 7 1 1 A 13 13 ILE CB C 13 38.686 38.142 0.544 1
1 34 . 7 1 1 A 13 13 ILE N N 13 123.673 128.095 -4.422 1
1 35 . 7 1 1 A 14 14 PHE H H 14 8.178 7.884 0.294 1
1 36 . 7 1 1 A 14 14 PHE HA H 14 4.977 4.657 0.320 1
1 44 . 7 1 1 A 14 14 PHE C C 14 176.475 175.404 1.071 1
1 45 . 7 1 1 A 14 14 PHE CA C 14 57.025 58.323 -1.298 1
1 46 . 7 1 1 A 14 14 PHE CB C 14 41.482 39.862 1.620 1
1 52 . 7 1 1 A 14 14 PHE N N 14 122.586 119.339 3.247 1
1 53 . 7 1 1 A 15 15 THR H H 15 8.792 8.825 -0.033 1
1 54 . 7 1 1 A 15 15 THR HA H 15 4.462 4.805 -0.343 1
1 59 . 7 1 1 A 15 15 THR C C 15 175.261 175.645 -0.384 1
1 60 . 7 1 1 A 15 15 THR CA C 15 60.623 59.883 0.740 1
1 61 . 7 1 1 A 15 15 THR CB C 15 70.645 71.534 -0.889 1
1 63 . 7 1 1 A 15 15 THR N N 15 113.201 113.150 0.051 1
1 64 . 7 1 1 A 16 16 ASP H H 16 9.018 9.195 -0.177 1
1 65 . 7 1 1 A 16 16 ASP HA H 16 4.371 4.339 0.032 1
1 68 . 7 1 1 A 16 16 ASP C C 16 178.806 178.051 0.755 1
1 69 . 7 1 1 A 16 16 ASP CA C 16 58.163 57.348 0.815 1
1 70 . 7 1 1 A 16 16 ASP CB C 16 39.689 40.066 -0.377 1
1 71 . 7 1 1 A 16 16 ASP N N 16 121.802 122.118 -0.316 1
1 72 . 7 1 1 A 17 17 GLU H H 17 8.785 8.276 0.509 1
1 73 . 7 1 1 A 17 17 GLU HA H 17 4.054 3.954 0.100 1
1 78 . 7 1 1 A 17 17 GLU C C 17 180.044 178.908 1.136 1
1 79 . 7 1 1 A 17 17 GLU CA C 17 59.706 59.779 -0.073 1
1 80 . 7 1 1 A 17 17 GLU CB C 17 29.520 29.122 0.398 1
1 82 . 7 1 1 A 17 17 GLU N N 17 119.474 119.544 -0.070 1
1 83 . 7 1 1 A 18 18 GLN H H 18 7.700 7.666 0.034 1
1 84 . 7 1 1 A 18 18 GLN HA H 18 3.665 3.804 -0.139 1
1 91 . 7 1 1 A 18 18 GLN C C 18 177.009 178.837 -1.828 1
1 92 . 7 1 1 A 18 18 GLN CA C 18 59.354 59.053 0.301 1
1 93 . 7 1 1 A 18 18 GLN CB C 18 27.377 28.277 -0.900 1
1 95 . 7 1 1 A 18 18 GLN N N 18 119.784 119.228 0.556 1
1 97 . 7 1 1 A 19 19 LEU H H 19 8.383 8.501 -0.118 1
1 98 . 7 1 1 A 19 19 LEU HA H 19 3.585 3.484 0.101 1
1 108 . 7 1 1 A 19 19 LEU C C 19 178.830 178.613 0.217 1
1 109 . 7 1 1 A 19 19 LEU CA C 19 57.908 57.729 0.179 1
1 110 . 7 1 1 A 19 19 LEU CB C 19 41.703 41.044 0.659 1
1 114 . 7 1 1 A 19 19 LEU N N 19 117.889 120.017 -2.128 1
1 115 . 7 1 1 A 20 20 GLU H H 20 8.119 8.738 -0.619 1
1 116 . 7 1 1 A 20 20 GLU HA H 20 3.897 3.873 0.024 1
1 121 . 7 1 1 A 20 20 GLU C C 20 178.126 178.459 -0.333 1
1 122 . 7 1 1 A 20 20 GLU CA C 20 59.248 59.684 -0.436 1
1 123 . 7 1 1 A 20 20 GLU CB C 20 29.697 29.505 0.192 1
1 125 . 7 1 1 A 20 20 GLU N N 20 118.697 119.818 -1.121 1
1 126 . 7 1 1 A 21 21 ALA H H 21 7.309 7.923 -0.614 1
1 127 . 7 1 1 A 21 21 ALA HA H 21 4.057 4.032 0.025 1
1 131 . 7 1 1 A 21 21 ALA C C 21 180.773 179.810 0.963 1
1 132 . 7 1 1 A 21 21 ALA CA C 21 54.947 55.100 -0.153 1
1 133 . 7 1 1 A 21 21 ALA CB C 21 18.888 18.613 0.275 1
1 134 . 7 1 1 A 21 21 ALA N N 21 120.540 121.804 -1.264 1
1 135 . 7 1 1 A 22 22 LEU H H 22 8.070 8.258 -0.188 1
1 136 . 7 1 1 A 22 22 LEU HA H 22 3.428 3.723 -0.295 1
1 146 . 7 1 1 A 22 22 LEU C C 22 177.131 179.150 -2.019 1
1 147 . 7 1 1 A 22 22 LEU CA C 22 58.408 57.648 0.760 1
1 148 . 7 1 1 A 22 22 LEU CB C 22 38.173 40.213 -2.040 1
1 152 . 7 1 1 A 22 22 LEU N N 22 121.563 117.629 3.934 1
1 153 . 7 1 1 A 23 23 GLU H H 23 7.997 8.161 -0.164 1
1 154 . 7 1 1 A 23 23 GLU HA H 23 4.289 4.216 0.073 1
1 159 . 7 1 1 A 23 23 GLU C C 23 179.510 179.386 0.124 1
1 160 . 7 1 1 A 23 23 GLU CA C 23 58.734 59.794 -1.060 1
1 161 . 7 1 1 A 23 23 GLU CB C 23 28.879 29.739 -0.860 1
1 163 . 7 1 1 A 23 23 GLU N N 23 118.641 118.234 0.407 1
1 164 . 7 1 1 A 24 24 ASN H H 24 8.282 8.459 -0.177 1
1 165 . 7 1 1 A 24 24 ASN HA H 24 4.443 4.508 -0.065 1
1 170 . 7 1 1 A 24 24 ASN C C 24 178.563 177.966 0.597 1
1 171 . 7 1 1 A 24 24 ASN CA C 24 56.145 56.534 -0.389 1
1 172 . 7 1 1 A 24 24 ASN CB C 24 38.055 38.407 -0.352 1
1 173 . 7 1 1 A 24 24 ASN N N 24 117.495 118.333 -0.838 1
1 175 . 7 1 1 A 25 25 LEU H H 25 7.852 7.884 -0.032 1
1 176 . 7 1 1 A 25 25 LEU HA H 25 4.445 4.215 0.230 1
1 186 . 7 1 1 A 25 25 LEU C C 25 177.276 178.359 -1.083 1
1 187 . 7 1 1 A 25 25 LEU CA C 25 57.963 57.605 0.358 1
1 188 . 7 1 1 A 25 25 LEU CB C 25 40.400 42.135 -1.735 1
1 192 . 7 1 1 A 25 25 LEU N N 25 121.261 121.049 0.212 1
1 193 . 7 1 1 A 26 26 PHE H H 26 8.711 8.833 -0.122 1
1 194 . 7 1 1 A 26 26 PHE HA H 26 4.628 4.404 0.224 1
1 202 . 7 1 1 A 26 26 PHE C C 26 176.232 177.708 -1.476 1
1 203 . 7 1 1 A 26 26 PHE CA C 26 61.011 61.046 -0.035 1
1 204 . 7 1 1 A 26 26 PHE CB C 26 38.906 38.889 0.017 1
1 210 . 7 1 1 A 26 26 PHE N N 26 120.816 119.536 1.280 1
1 211 . 7 1 1 A 27 27 GLN H H 27 8.007 8.168 -0.161 1
1 212 . 7 1 1 A 27 27 GLN HA H 27 3.665 3.654 0.011 1
1 219 . 7 1 1 A 27 27 GLN C C 27 177.106 178.650 -1.544 1
1 220 . 7 1 1 A 27 27 GLN CA C 27 57.892 59.400 -1.508 1
1 221 . 7 1 1 A 27 27 GLN CB C 27 28.195 28.707 -0.512 1
1 223 . 7 1 1 A 27 27 GLN N N 27 114.037 117.707 -3.670 1
1 225 . 7 1 1 A 28 28 GLU H H 28 7.467 8.601 -1.134 1
1 226 . 7 1 1 A 28 28 GLU HA H 28 4.190 4.182 0.008 1
1 231 . 7 1 1 A 28 28 GLU C C 28 177.106 176.129 0.977 1
1 232 . 7 1 1 A 28 28 GLU CA C 28 58.138 58.861 -0.723 1
1 233 . 7 1 1 A 28 28 GLU CB C 28 30.756 29.271 1.485 1
1 235 . 7 1 1 A 28 28 GLU N N 28 119.193 116.752 2.441 1
1 236 . 7 1 1 A 29 29 THR H H 29 8.971 8.077 0.894 1
1 237 . 7 1 1 A 29 29 THR HA H 29 4.321 4.632 -0.311 1
1 242 . 7 1 1 A 29 29 THR C C 29 170.526 174.173 -3.647 1
1 243 . 7 1 1 A 29 29 THR CA C 29 59.885 60.409 -0.524 1
1 244 . 7 1 1 A 29 29 THR CB C 29 69.656 71.159 -1.503 1
1 246 . 7 1 1 A 29 29 THR N N 29 116.904 113.563 3.341 1
1 247 . 7 1 1 A 30 30 LYS H H 30 7.942 8.586 -0.644 1
1 248 . 7 1 1 A 30 30 LYS HA H 30 3.765 4.124 -0.359 1
1 257 . 7 1 1 A 30 30 LYS C C 30 175.844 176.771 -0.927 1
1 258 . 7 1 1 A 30 30 LYS CA C 30 56.583 58.560 -1.977 1
1 259 . 7 1 1 A 30 30 LYS CB C 30 32.421 33.076 -0.655 1
1 263 . 7 1 1 A 30 30 LYS N N 30 123.132 126.936 -3.804 1
1 264 . 7 1 1 A 31 31 TYR H H 31 7.788 8.080 -0.292 1
1 265 . 7 1 1 A 31 31 TYR HA H 31 4.608 5.144 -0.536 1
1 272 . 7 1 1 A 31 31 TYR C C 31 172.687 173.399 -0.712 1
1 273 . 7 1 1 A 31 31 TYR CA C 31 54.864 54.607 0.257 1
1 274 . 7 1 1 A 31 31 TYR CB C 31 38.777 39.023 -0.246 1
1 279 . 7 1 1 A 31 31 TYR N N 31 113.626 117.091 -3.465 1
1 280 . 7 1 1 A 32 32 PRO HA H 32 4.399 4.589 -0.190 1
1 287 . 7 1 1 A 32 32 PRO C C 32 177.203 175.254 1.949 1
1 288 . 7 1 1 A 32 32 PRO CA C 32 62.668 62.294 0.374 1
1 289 . 7 1 1 A 32 32 PRO CB C 32 31.394 32.729 -1.335 1
1 292 . 7 1 1 A 33 33 ASP H H 33 8.548 8.418 0.130 1
1 293 . 7 1 1 A 33 33 ASP HA H 33 4.473 5.099 -0.626 1
1 296 . 7 1 1 A 33 33 ASP C C 33 175.989 177.537 -1.548 1
1 297 . 7 1 1 A 33 33 ASP CA C 33 52.775 52.569 0.206 1
1 298 . 7 1 1 A 33 33 ASP CB C 33 41.295 43.517 -2.222 1
1 299 . 7 1 1 A 33 33 ASP N N 33 123.152 120.237 2.915 1
1 300 . 7 1 1 A 34 34 VAL H H 34 8.493 8.606 -0.113 1
1 301 . 7 1 1 A 34 34 VAL HA H 34 3.522 3.796 -0.274 1
1 309 . 7 1 1 A 34 34 VAL C C 34 177.203 178.104 -0.901 1
1 310 . 7 1 1 A 34 34 VAL CA C 34 66.618 65.878 0.740 1
1 311 . 7 1 1 A 34 34 VAL CB C 34 31.697 31.556 0.141 1
1 314 . 7 1 1 A 34 34 VAL N N 34 119.474 124.647 -5.173 1
1 315 . 7 1 1 A 35 35 GLY H H 35 8.389 8.239 0.150 1
1 316 . 7 1 1 A 35 35 GLY HA2 H 35 3.901 3.762 0.139 1
1 317 . 7 1 1 A 35 35 GLY HA3 H 35 3.901 3.764 0.137 1
1 318 . 7 1 1 A 35 35 GLY C C 35 176.985 176.321 0.664 1
1 319 . 7 1 1 A 35 35 GLY CA C 35 46.976 47.431 -0.455 1
1 320 . 7 1 1 A 35 35 GLY N N 35 109.478 108.643 0.835 1
1 321 . 7 1 1 A 36 36 THR H H 36 8.142 7.935 0.207 1
1 322 . 7 1 1 A 36 36 THR HA H 36 3.918 4.040 -0.122 1
1 327 . 7 1 1 A 36 36 THR C C 36 177.616 176.807 0.809 1
1 328 . 7 1 1 A 36 36 THR CA C 36 66.957 66.090 0.867 1
1 329 . 7 1 1 A 36 36 THR CB C 36 67.887 68.650 -0.763 1
1 331 . 7 1 1 A 36 36 THR N N 36 121.210 117.879 3.331 1
1 332 . 7 1 1 A 37 37 ARG H H 37 8.396 8.148 0.248 1
1 333 . 7 1 1 A 37 37 ARG HA H 37 3.712 3.946 -0.234 1
1 341 . 7 1 1 A 37 37 ARG C C 37 177.980 179.141 -1.161 1
1 342 . 7 1 1 A 37 37 ARG CA C 37 61.187 59.652 1.535 1
1 343 . 7 1 1 A 37 37 ARG CB C 37 31.250 30.077 1.173 1
1 346 . 7 1 1 A 37 37 ARG N N 37 121.196 120.932 0.264 1
1 348 . 7 1 1 A 38 38 GLU H H 38 8.843 8.091 0.752 1
1 349 . 7 1 1 A 38 38 GLU HA H 38 3.905 4.053 -0.148 1
1 354 . 7 1 1 A 38 38 GLU C C 38 178.636 179.095 -0.459 1
1 355 . 7 1 1 A 38 38 GLU CA C 38 59.797 58.923 0.874 1
1 356 . 7 1 1 A 38 38 GLU CB C 38 29.529 29.130 0.399 1
1 358 . 7 1 1 A 38 38 GLU N N 38 119.875 119.270 0.605 1
1 359 . 7 1 1 A 39 39 GLN H H 39 7.939 7.470 0.469 1
1 360 . 7 1 1 A 39 39 GLN HA H 39 3.977 3.958 0.019 1
1 367 . 7 1 1 A 39 39 GLN C C 39 178.782 177.880 0.902 1
1 368 . 7 1 1 A 39 39 GLN CA C 39 59.078 58.928 0.150 1
1 369 . 7 1 1 A 39 39 GLN CB C 39 28.426 28.389 0.037 1
1 371 . 7 1 1 A 39 39 GLN N N 39 118.456 118.981 -0.525 1
1 373 . 7 1 1 A 40 40 LEU H H 40 7.515 8.491 -0.976 1
1 374 . 7 1 1 A 40 40 LEU HA H 40 4.129 4.070 0.059 1
1 384 . 7 1 1 A 40 40 LEU C C 40 178.150 178.215 -0.065 1
1 385 . 7 1 1 A 40 40 LEU CA C 40 58.273 58.113 0.160 1
1 386 . 7 1 1 A 40 40 LEU CB C 40 41.194 41.298 -0.104 1
1 390 . 7 1 1 A 40 40 LEU N N 40 121.414 122.201 -0.787 1
1 391 . 7 1 1 A 41 41 ALA H H 41 8.577 8.776 -0.199 1
1 392 . 7 1 1 A 41 41 ALA HA H 41 3.650 4.067 -0.417 1
1 396 . 7 1 1 A 41 41 ALA C C 41 179.559 180.234 -0.675 1
1 397 . 7 1 1 A 41 41 ALA CA C 41 55.925 55.487 0.438 1
1 398 . 7 1 1 A 41 41 ALA CB C 41 17.487 18.552 -1.065 1
1 399 . 7 1 1 A 41 41 ALA N N 41 121.362 121.204 0.158 1
1 400 . 7 1 1 A 42 42 ARG H H 42 7.986 7.872 0.114 1
1 401 . 7 1 1 A 42 42 ARG HA H 42 4.083 3.996 0.087 1
1 408 . 7 1 1 A 42 42 ARG C C 42 179.000 178.507 0.493 1
1 409 . 7 1 1 A 42 42 ARG CA C 42 58.578 59.548 -0.970 1
1 410 . 7 1 1 A 42 42 ARG CB C 42 30.495 29.939 0.556 1
1 413 . 7 1 1 A 42 42 ARG N N 42 114.579 117.535 -2.956 1
1 414 . 7 1 1 A 43 43 LYS H H 43 7.706 7.646 0.060 1
1 415 . 7 1 1 A 43 43 LYS HA H 43 4.023 3.994 0.029 1
1 424 . 7 1 1 A 43 43 LYS C C 43 178.248 178.446 -0.198 1
1 425 . 7 1 1 A 43 43 LYS CA C 43 59.177 58.931 0.246 1
1 426 . 7 1 1 A 43 43 LYS CB C 43 33.134 32.558 0.576 1
1 430 . 7 1 1 A 43 43 LYS N N 43 119.896 119.821 0.075 1
1 431 . 7 1 1 A 44 44 VAL H H 44 7.681 7.774 -0.093 1
1 432 . 7 1 1 A 44 44 VAL HA H 44 4.522 4.319 0.203 1
1 440 . 7 1 1 A 44 44 VAL C C 44 174.654 174.997 -0.343 1
1 441 . 7 1 1 A 44 44 VAL CA C 44 59.912 61.465 -1.553 1
1 442 . 7 1 1 A 44 44 VAL CB C 44 30.979 31.615 -0.636 1
1 445 . 7 1 1 A 44 44 VAL N N 44 105.042 110.622 -5.580 1
1 446 . 7 1 1 A 45 45 HIS H H 45 7.398 7.710 -0.312 1
1 447 . 7 1 1 A 45 45 HIS HA H 45 4.293 4.177 0.116 1
1 451 . 7 1 1 A 45 45 HIS C C 45 174.144 173.962 0.182 1
1 452 . 7 1 1 A 45 45 HIS CA C 45 56.956 56.660 0.296 1
1 453 . 7 1 1 A 45 45 HIS CB C 45 26.353 26.629 -0.276 1
1 455 . 7 1 1 A 45 45 HIS N N 45 117.892 116.017 1.875 1
1 456 . 7 1 1 A 46 46 LEU H H 46 8.571 7.906 0.665 1
1 457 . 7 1 1 A 46 46 LEU HA H 46 4.855 4.923 -0.068 1
1 467 . 7 1 1 A 46 46 LEU C C 46 176.256 175.310 0.946 1
1 468 . 7 1 1 A 46 46 LEU CA C 46 52.689 53.428 -0.739 1
1 469 . 7 1 1 A 46 46 LEU CB C 46 47.746 45.758 1.988 1
1 473 . 7 1 1 A 46 46 LEU N N 46 119.288 118.723 0.565 1
1 474 . 7 1 1 A 47 47 ARG H H 47 7.979 8.858 -0.879 1
1 475 . 7 1 1 A 47 47 ARG HA H 47 4.439 4.487 -0.048 1
1 482 . 7 1 1 A 47 47 ARG C C 47 178.830 177.722 1.108 1
1 483 . 7 1 1 A 47 47 ARG CA C 47 55.871 55.183 0.688 1
1 484 . 7 1 1 A 47 47 ARG CB C 47 30.838 31.939 -1.101 1
1 487 . 7 1 1 A 47 47 ARG N N 47 119.085 120.488 -1.403 1
1 488 . 7 1 1 A 48 48 GLU H H 48 9.642 8.744 0.898 1
1 489 . 7 1 1 A 48 48 GLU HA H 48 3.644 3.938 -0.294 1
1 494 . 7 1 1 A 48 48 GLU C C 48 178.515 178.824 -0.309 1
1 495 . 7 1 1 A 48 48 GLU CA C 48 61.612 59.550 2.062 1
1 496 . 7 1 1 A 48 48 GLU CB C 48 28.860 29.317 -0.457 1
1 498 . 7 1 1 A 48 48 GLU N N 48 125.963 122.612 3.351 1
1 499 . 7 1 1 A 49 49 GLU H H 49 9.638 8.203 1.435 1
1 500 . 7 1 1 A 49 49 GLU HA H 49 4.239 4.045 0.194 1
1 505 . 7 1 1 A 49 49 GLU C C 49 178.927 178.846 0.081 1
1 506 . 7 1 1 A 49 49 GLU CA C 49 59.681 59.437 0.244 1
1 507 . 7 1 1 A 49 49 GLU CB C 49 28.531 29.096 -0.565 1
1 509 . 7 1 1 A 49 49 GLU N N 49 118.929 119.750 -0.821 1
1 510 . 7 1 1 A 50 50 LYS H H 50 7.398 7.962 -0.564 1
1 511 . 7 1 1 A 50 50 LYS HA H 50 4.318 4.102 0.216 1
1 520 . 7 1 1 A 50 50 LYS C C 50 179.486 179.533 -0.047 1
1 521 . 7 1 1 A 50 50 LYS CA C 50 58.084 59.397 -1.313 1
1 522 . 7 1 1 A 50 50 LYS CB C 50 32.487 32.627 -0.140 1
1 526 . 7 1 1 A 50 50 LYS N N 50 117.569 118.581 -1.012 1
1 527 . 7 1 1 A 51 51 VAL H H 51 7.614 8.411 -0.797 1
1 528 . 7 1 1 A 51 51 VAL HA H 51 3.739 3.657 0.082 1
1 536 . 7 1 1 A 51 51 VAL C C 51 177.641 178.404 -0.763 1
1 537 . 7 1 1 A 51 51 VAL CA C 51 66.900 66.639 0.261 1
1 538 . 7 1 1 A 51 51 VAL CB C 51 31.876 31.430 0.446 1
1 541 . 7 1 1 A 51 51 VAL N N 51 120.291 120.270 0.021 1
1 542 . 7 1 1 A 52 52 GLU H H 52 8.274 7.672 0.602 1
1 543 . 7 1 1 A 52 52 GLU HA H 52 4.198 3.904 0.294 1
1 547 . 7 1 1 A 52 52 GLU C C 52 179.073 178.627 0.446 1
1 548 . 7 1 1 A 52 52 GLU CA C 52 60.434 59.124 1.310 1
1 549 . 7 1 1 A 52 52 GLU CB C 52 29.073 29.424 -0.351 1
1 551 . 7 1 1 A 52 52 GLU N N 52 120.105 120.386 -0.281 1
1 552 . 7 1 1 A 53 53 VAL H H 53 7.936 8.126 -0.190 1
1 553 . 7 1 1 A 53 53 VAL HA H 53 3.692 3.714 -0.022 1
1 561 . 7 1 1 A 53 53 VAL C C 53 177.592 178.239 -0.647 1
1 562 . 7 1 1 A 53 53 VAL CA C 53 66.935 66.558 0.377 1
1 563 . 7 1 1 A 53 53 VAL CB C 53 32.273 31.813 0.460 1
1 566 . 7 1 1 A 53 53 VAL N N 53 119.238 119.740 -0.502 1
1 567 . 7 1 1 A 54 54 TRP H H 54 8.321 8.131 0.190 1
1 568 . 7 1 1 A 54 54 TRP HA H 54 4.083 4.249 -0.166 1
1 577 . 7 1 1 A 54 54 TRP C C 54 179.802 178.159 1.643 1
1 578 . 7 1 1 A 54 54 TRP CA C 54 63.129 61.151 1.978 1
1 579 . 7 1 1 A 54 54 TRP CB C 54 28.635 29.451 -0.816 1
1 585 . 7 1 1 A 54 54 TRP N N 54 121.382 121.470 -0.088 1
1 587 . 7 1 1 A 55 55 PHE H H 55 8.834 8.590 0.244 1
1 588 . 7 1 1 A 55 55 PHE HA H 55 3.676 3.651 0.025 1
1 596 . 7 1 1 A 55 55 PHE C C 55 178.150 177.780 0.370 1
1 597 . 7 1 1 A 55 55 PHE CA C 55 64.096 61.264 2.832 1
1 598 . 7 1 1 A 55 55 PHE CB C 55 39.358 38.755 0.603 1
1 604 . 7 1 1 A 55 55 PHE N N 55 118.755 118.027 0.728 1
1 605 . 7 1 1 A 56 56 LYS H H 56 8.241 8.007 0.234 1
1 606 . 7 1 1 A 56 56 LYS HA H 56 3.977 3.804 0.173 1
1 612 . 7 1 1 A 56 56 LYS C C 56 180.166 179.206 0.960 1
1 613 . 7 1 1 A 56 56 LYS CA C 56 60.744 59.777 0.967 1
1 614 . 7 1 1 A 56 56 LYS CB C 56 32.322 32.306 0.016 1
1 618 . 7 1 1 A 56 56 LYS N N 56 120.065 117.954 2.111 1
1 619 . 7 1 1 A 57 57 ASN H H 57 8.084 8.092 -0.008 1
1 620 . 7 1 1 A 57 57 ASN HA H 57 4.367 4.357 0.010 1
1 625 . 7 1 1 A 57 57 ASN C C 57 177.422 177.854 -0.432 1
1 626 . 7 1 1 A 57 57 ASN CA C 57 55.660 56.319 -0.659 1
1 627 . 7 1 1 A 57 57 ASN CB C 57 38.008 37.678 0.330 1
1 628 . 7 1 1 A 57 57 ASN N N 57 118.967 118.110 0.857 1
1 630 . 7 1 1 A 58 58 ARG H H 58 8.575 7.683 0.892 1
1 631 . 7 1 1 A 58 58 ARG HA H 58 3.463 3.572 -0.109 1
1 639 . 7 1 1 A 58 58 ARG C C 58 180.044 178.215 1.829 1
1 640 . 7 1 1 A 58 58 ARG CA C 58 56.568 59.434 -2.866 1
1 641 . 7 1 1 A 58 58 ARG CB C 58 28.155 29.084 -0.929 1
1 644 . 7 1 1 A 58 58 ARG N N 58 124.441 118.963 5.478 1
1 646 . 7 1 1 A 59 59 ARG H H 59 8.490 7.915 0.575 1
1 647 . 7 1 1 A 59 59 ARG HA H 59 4.334 4.111 0.223 1
1 653 . 7 1 1 A 59 59 ARG C C 59 178.223 178.599 -0.376 1
1 654 . 7 1 1 A 59 59 ARG CA C 59 60.699 59.450 1.249 1
1 655 . 7 1 1 A 59 59 ARG CB C 59 31.905 29.945 1.960 1
1 658 . 7 1 1 A 59 59 ARG N N 59 118.847 119.374 -0.527 1
1 659 . 7 1 1 A 60 60 ALA H H 60 7.459 7.656 -0.197 1
1 660 . 7 1 1 A 60 60 ALA HA H 60 4.225 4.118 0.107 1
1 664 . 7 1 1 A 60 60 ALA C C 60 179.680 179.615 0.065 1
1 665 . 7 1 1 A 60 60 ALA CA C 60 55.051 54.923 0.128 1
1 666 . 7 1 1 A 60 60 ALA CB C 60 17.817 18.519 -0.702 1
1 667 . 7 1 1 A 60 60 ALA N N 60 121.387 120.827 0.560 1
1 668 . 7 1 1 A 61 61 LYS H H 61 7.452 8.149 -0.697 1
1 669 . 7 1 1 A 61 61 LYS HA H 61 4.042 4.117 -0.075 1
1 676 . 7 1 1 A 61 61 LYS C C 61 178.078 178.880 -0.802 1
1 677 . 7 1 1 A 61 61 LYS CA C 61 58.472 59.420 -0.948 1
1 678 . 7 1 1 A 61 61 LYS CB C 61 32.734 32.139 0.595 1
1 682 . 7 1 1 A 61 61 LYS N N 61 118.087 118.165 -0.078 1
1 683 . 7 1 1 A 62 62 TRP H H 62 8.008 8.232 -0.224 1
1 684 . 7 1 1 A 62 62 TRP HA H 62 4.632 4.211 0.421 1
1 693 . 7 1 1 A 62 62 TRP C C 62 177.471 178.593 -1.122 1
1 694 . 7 1 1 A 62 62 TRP CA C 62 59.120 60.926 -1.806 1
1 695 . 7 1 1 A 62 62 TRP CB C 62 29.366 29.807 -0.441 1
1 701 . 7 1 1 A 62 62 TRP N N 62 121.749 122.285 -0.536 1
1 703 . 7 1 1 A 63 63 ARG H H 63 8.286 9.045 -0.759 1
1 704 . 7 1 1 A 63 63 ARG HA H 63 3.736 3.670 0.066 1
1 711 . 7 1 1 A 63 63 ARG C C 63 176.888 178.291 -1.403 1
1 712 . 7 1 1 A 63 63 ARG CA C 63 57.385 59.176 -1.791 1
1 713 . 7 1 1 A 63 63 ARG CB C 63 30.726 30.001 0.725 1
1 716 . 7 1 1 A 63 63 ARG N N 63 119.622 120.630 -1.008 1
1 717 . 7 1 1 A 64 64 ARG H H 64 7.670 8.394 -0.724 1
1 718 . 7 1 1 A 64 64 ARG HA H 64 4.196 4.070 0.126 1
1 723 . 7 1 1 A 64 64 ARG C C 64 176.645 175.855 0.790 1
1 724 . 7 1 1 A 64 64 ARG CA C 64 56.956 59.141 -2.185 1
1 725 . 7 1 1 A 64 64 ARG CB C 64 30.369 30.066 0.303 1
1 728 . 7 1 1 A 64 64 ARG N N 64 119.096 120.085 -0.989 1
1 729 . 7 1 1 A 65 65 SER H H 65 7.962 7.390 0.572 1
1 730 . 7 1 1 A 65 65 SER HA H 65 4.474 4.482 -0.008 1
1 733 . 7 1 1 A 65 65 SER C C 65 174.435 174.023 0.412 1
1 734 . 7 1 1 A 65 65 SER CA C 65 58.837 57.697 1.140 1
1 735 . 7 1 1 A 65 65 SER CB C 65 63.947 64.691 -0.744 1
1 736 . 7 1 1 A 65 65 SER N N 65 115.352 110.715 4.637 1
1 737 . 7 1 1 A 66 66 GLY H H 66 8.031 8.482 -0.451 1
1 738 . 7 1 1 A 66 66 GLY HA2 H 66 4.068 3.937 0.131 1
1 739 . 7 1 1 A 66 66 GLY C C 66 171.813 173.020 -1.207 1
1 740 . 7 1 1 A 66 66 GLY CA C 66 44.800 45.105 -0.305 1
1 741 . 7 1 1 A 66 66 GLY N N 66 110.503 109.287 1.216 1
1 742 . 7 1 1 A 67 67 PRO HA H 67 4.456 4.586 -0.130 1
1 747 . 7 1 1 A 67 67 PRO CA C 67 63.352 62.586 0.766 1
1 748 . 7 1 1 A 67 67 PRO CB C 67 32.167 32.782 -0.615 1
1 751 . 7 1 1 A 68 68 SER HA H 68 4.457 4.249 0.208 1
1 754 . 7 1 1 A 68 68 SER C C 68 174.654 174.628 0.026 1
1 755 . 7 1 1 A 68 68 SER CA C 68 58.612 61.377 -2.765 1
1 756 . 7 1 1 A 68 68 SER CB C 68 63.845 63.533 0.312 1
1 757 . 7 1 1 A 69 69 SER HA H 69 4.491 4.046 0.445 1
1 760 . 7 1 1 A 69 69 SER C C 69 173.925 173.666 0.259 1
1 761 . 7 1 1 A 69 69 SER CA C 69 58.423 59.270 -0.847 1
1 762 . 7 1 1 A 69 69 SER CB C 69 63.969 62.120 1.849 1
1 1 . 8 1 1 A 10 10 HIS HA H 10 4.605 4.836 -0.231 1
1 5 . 8 1 1 A 10 10 HIS CA C 10 56.397 54.743 1.654 1
1 6 . 8 1 1 A 10 10 HIS CB C 10 29.857 31.645 -1.788 1
1 8 . 8 1 1 A 12 12 THR HA H 12 4.305 4.610 -0.305 1
1 13 . 8 1 1 A 12 12 THR C C 12 173.925 174.973 -1.048 1
1 14 . 8 1 1 A 12 12 THR CA C 12 62.068 62.355 -0.287 1
1 15 . 8 1 1 A 12 12 THR CB C 12 69.817 70.746 -0.929 1
1 17 . 8 1 1 A 13 13 ILE H H 13 8.188 8.394 -0.206 1
1 18 . 8 1 1 A 13 13 ILE HA H 13 4.139 3.770 0.369 1
1 28 . 8 1 1 A 13 13 ILE C C 13 175.795 176.027 -0.232 1
1 29 . 8 1 1 A 13 13 ILE CA C 13 61.202 64.178 -2.976 1
1 30 . 8 1 1 A 13 13 ILE CB C 13 38.686 37.526 1.160 1
1 34 . 8 1 1 A 13 13 ILE N N 13 123.673 126.392 -2.719 1
1 35 . 8 1 1 A 14 14 PHE H H 14 8.178 8.137 0.041 1
1 36 . 8 1 1 A 14 14 PHE HA H 14 4.977 5.088 -0.111 1
1 44 . 8 1 1 A 14 14 PHE C C 14 176.475 175.887 0.588 1
1 45 . 8 1 1 A 14 14 PHE CA C 14 57.025 57.068 -0.043 1
1 46 . 8 1 1 A 14 14 PHE CB C 14 41.482 41.396 0.086 1
1 52 . 8 1 1 A 14 14 PHE N N 14 122.586 117.739 4.847 1
1 53 . 8 1 1 A 15 15 THR H H 15 8.792 8.805 -0.013 1
1 54 . 8 1 1 A 15 15 THR HA H 15 4.462 4.757 -0.295 1
1 59 . 8 1 1 A 15 15 THR C C 15 175.261 175.712 -0.451 1
1 60 . 8 1 1 A 15 15 THR CA C 15 60.623 60.613 0.010 1
1 61 . 8 1 1 A 15 15 THR CB C 15 70.645 71.241 -0.596 1
1 63 . 8 1 1 A 15 15 THR N N 15 113.201 114.149 -0.948 1
1 64 . 8 1 1 A 16 16 ASP H H 16 9.018 9.252 -0.234 1
1 65 . 8 1 1 A 16 16 ASP HA H 16 4.371 4.342 0.029 1
1 68 . 8 1 1 A 16 16 ASP C C 16 178.806 178.028 0.778 1
1 69 . 8 1 1 A 16 16 ASP CA C 16 58.163 57.304 0.859 1
1 70 . 8 1 1 A 16 16 ASP CB C 16 39.689 40.167 -0.478 1
1 71 . 8 1 1 A 16 16 ASP N N 16 121.802 121.556 0.246 1
1 72 . 8 1 1 A 17 17 GLU H H 17 8.785 8.339 0.446 1
1 73 . 8 1 1 A 17 17 GLU HA H 17 4.054 3.941 0.113 1
1 78 . 8 1 1 A 17 17 GLU C C 17 180.044 178.798 1.246 1
1 79 . 8 1 1 A 17 17 GLU CA C 17 59.706 59.779 -0.073 1
1 80 . 8 1 1 A 17 17 GLU CB C 17 29.520 29.401 0.119 1
1 82 . 8 1 1 A 17 17 GLU N N 17 119.474 119.589 -0.115 1
1 83 . 8 1 1 A 18 18 GLN H H 18 7.700 8.192 -0.492 1
1 84 . 8 1 1 A 18 18 GLN HA H 18 3.665 3.775 -0.110 1
1 91 . 8 1 1 A 18 18 GLN C C 18 177.009 178.732 -1.723 1
1 92 . 8 1 1 A 18 18 GLN CA C 18 59.354 59.102 0.252 1
1 93 . 8 1 1 A 18 18 GLN CB C 18 27.377 28.086 -0.709 1
1 95 . 8 1 1 A 18 18 GLN N N 18 119.784 118.225 1.559 1
1 97 . 8 1 1 A 19 19 LEU H H 19 8.383 8.305 0.078 1
1 98 . 8 1 1 A 19 19 LEU HA H 19 3.585 3.555 0.030 1
1 108 . 8 1 1 A 19 19 LEU C C 19 178.830 178.425 0.405 1
1 109 . 8 1 1 A 19 19 LEU CA C 19 57.908 57.831 0.077 1
1 110 . 8 1 1 A 19 19 LEU CB C 19 41.703 41.100 0.603 1
1 114 . 8 1 1 A 19 19 LEU N N 19 117.889 119.782 -1.893 1
1 115 . 8 1 1 A 20 20 GLU H H 20 8.119 8.701 -0.582 1
1 116 . 8 1 1 A 20 20 GLU HA H 20 3.897 3.873 0.024 1
1 121 . 8 1 1 A 20 20 GLU C C 20 178.126 178.476 -0.350 1
1 122 . 8 1 1 A 20 20 GLU CA C 20 59.248 59.587 -0.339 1
1 123 . 8 1 1 A 20 20 GLU CB C 20 29.697 29.397 0.300 1
1 125 . 8 1 1 A 20 20 GLU N N 20 118.697 120.016 -1.319 1
1 126 . 8 1 1 A 21 21 ALA H H 21 7.309 7.648 -0.339 1
1 127 . 8 1 1 A 21 21 ALA HA H 21 4.057 4.080 -0.023 1
1 131 . 8 1 1 A 21 21 ALA C C 21 180.773 179.787 0.986 1
1 132 . 8 1 1 A 21 21 ALA CA C 21 54.947 55.093 -0.146 1
1 133 . 8 1 1 A 21 21 ALA CB C 21 18.888 18.488 0.400 1
1 134 . 8 1 1 A 21 21 ALA N N 21 120.540 121.150 -0.610 1
1 135 . 8 1 1 A 22 22 LEU H H 22 8.070 8.012 0.058 1
1 136 . 8 1 1 A 22 22 LEU HA H 22 3.428 3.857 -0.429 1
1 146 . 8 1 1 A 22 22 LEU C C 22 177.131 179.225 -2.094 1
1 147 . 8 1 1 A 22 22 LEU CA C 22 58.408 57.802 0.606 1
1 148 . 8 1 1 A 22 22 LEU CB C 22 38.173 40.561 -2.388 1
1 152 . 8 1 1 A 22 22 LEU N N 22 121.563 117.695 3.868 1
1 153 . 8 1 1 A 23 23 GLU H H 23 7.997 8.058 -0.061 1
1 154 . 8 1 1 A 23 23 GLU HA H 23 4.289 4.088 0.201 1
1 159 . 8 1 1 A 23 23 GLU C C 23 179.510 179.468 0.042 1
1 160 . 8 1 1 A 23 23 GLU CA C 23 58.734 59.761 -1.027 1
1 161 . 8 1 1 A 23 23 GLU CB C 23 28.879 29.614 -0.735 1
1 163 . 8 1 1 A 23 23 GLU N N 23 118.641 117.966 0.675 1
1 164 . 8 1 1 A 24 24 ASN H H 24 8.282 8.461 -0.179 1
1 165 . 8 1 1 A 24 24 ASN HA H 24 4.443 4.508 -0.065 1
1 170 . 8 1 1 A 24 24 ASN C C 24 178.563 178.088 0.475 1
1 171 . 8 1 1 A 24 24 ASN CA C 24 56.145 57.028 -0.883 1
1 172 . 8 1 1 A 24 24 ASN CB C 24 38.055 39.536 -1.481 1
1 173 . 8 1 1 A 24 24 ASN N N 24 117.495 118.357 -0.862 1
1 175 . 8 1 1 A 25 25 LEU H H 25 7.852 7.895 -0.043 1
1 176 . 8 1 1 A 25 25 LEU HA H 25 4.445 4.227 0.218 1
1 186 . 8 1 1 A 25 25 LEU C C 25 177.276 178.442 -1.166 1
1 187 . 8 1 1 A 25 25 LEU CA C 25 57.963 57.659 0.304 1
1 188 . 8 1 1 A 25 25 LEU CB C 25 40.400 42.357 -1.957 1
1 192 . 8 1 1 A 25 25 LEU N N 25 121.261 120.863 0.398 1
1 193 . 8 1 1 A 26 26 PHE H H 26 8.711 8.647 0.064 1
1 194 . 8 1 1 A 26 26 PHE HA H 26 4.628 4.163 0.465 1
1 202 . 8 1 1 A 26 26 PHE C C 26 176.232 177.688 -1.456 1
1 203 . 8 1 1 A 26 26 PHE CA C 26 61.011 60.763 0.248 1
1 204 . 8 1 1 A 26 26 PHE CB C 26 38.906 38.776 0.130 1
1 210 . 8 1 1 A 26 26 PHE N N 26 120.816 119.449 1.367 1
1 211 . 8 1 1 A 27 27 GLN H H 27 8.007 8.590 -0.583 1
1 212 . 8 1 1 A 27 27 GLN HA H 27 3.665 4.038 -0.373 1
1 219 . 8 1 1 A 27 27 GLN C C 27 177.106 178.365 -1.259 1
1 220 . 8 1 1 A 27 27 GLN CA C 27 57.892 59.369 -1.477 1
1 221 . 8 1 1 A 27 27 GLN CB C 27 28.195 28.779 -0.584 1
1 223 . 8 1 1 A 27 27 GLN N N 27 114.037 118.281 -4.244 1
1 225 . 8 1 1 A 28 28 GLU H H 28 7.467 8.276 -0.809 1
1 226 . 8 1 1 A 28 28 GLU HA H 28 4.190 4.168 0.022 1
1 231 . 8 1 1 A 28 28 GLU C C 28 177.106 176.144 0.962 1
1 232 . 8 1 1 A 28 28 GLU CA C 28 58.138 59.058 -0.920 1
1 233 . 8 1 1 A 28 28 GLU CB C 28 30.756 28.890 1.866 1
1 235 . 8 1 1 A 28 28 GLU N N 28 119.193 117.696 1.497 1
1 236 . 8 1 1 A 29 29 THR H H 29 8.971 7.698 1.273 1
1 237 . 8 1 1 A 29 29 THR HA H 29 4.321 4.558 -0.237 1
1 242 . 8 1 1 A 29 29 THR C C 29 170.526 174.447 -3.921 1
1 243 . 8 1 1 A 29 29 THR CA C 29 59.885 60.416 -0.531 1
1 244 . 8 1 1 A 29 29 THR CB C 29 69.656 71.407 -1.751 1
1 246 . 8 1 1 A 29 29 THR N N 29 116.904 113.457 3.447 1
1 247 . 8 1 1 A 30 30 LYS H H 30 7.942 8.357 -0.415 1
1 248 . 8 1 1 A 30 30 LYS HA H 30 3.765 3.324 0.441 1
1 257 . 8 1 1 A 30 30 LYS C C 30 175.844 176.546 -0.702 1
1 258 . 8 1 1 A 30 30 LYS CA C 30 56.583 59.520 -2.937 1
1 259 . 8 1 1 A 30 30 LYS CB C 30 32.421 32.274 0.147 1
1 263 . 8 1 1 A 30 30 LYS N N 30 123.132 127.442 -4.310 1
1 264 . 8 1 1 A 31 31 TYR H H 31 7.788 8.235 -0.447 1
1 265 . 8 1 1 A 31 31 TYR HA H 31 4.608 5.019 -0.411 1
1 272 . 8 1 1 A 31 31 TYR C C 31 172.687 173.492 -0.805 1
1 273 . 8 1 1 A 31 31 TYR CA C 31 54.864 54.874 -0.010 1
1 274 . 8 1 1 A 31 31 TYR CB C 31 38.777 38.700 0.077 1
1 279 . 8 1 1 A 31 31 TYR N N 31 113.626 117.089 -3.463 1
1 280 . 8 1 1 A 32 32 PRO HA H 32 4.399 4.635 -0.236 1
1 287 . 8 1 1 A 32 32 PRO C C 32 177.203 176.463 0.740 1
1 288 . 8 1 1 A 32 32 PRO CA C 32 62.668 62.766 -0.098 1
1 289 . 8 1 1 A 32 32 PRO CB C 32 31.394 32.126 -0.732 1
1 292 . 8 1 1 A 33 33 ASP H H 33 8.548 8.397 0.151 1
1 293 . 8 1 1 A 33 33 ASP HA H 33 4.473 4.800 -0.327 1
1 296 . 8 1 1 A 33 33 ASP C C 33 175.989 176.244 -0.255 1
1 297 . 8 1 1 A 33 33 ASP CA C 33 52.775 53.217 -0.442 1
1 298 . 8 1 1 A 33 33 ASP CB C 33 41.295 41.924 -0.629 1
1 299 . 8 1 1 A 33 33 ASP N N 33 123.152 121.650 1.502 1
1 300 . 8 1 1 A 34 34 VAL H H 34 8.493 8.529 -0.036 1
1 301 . 8 1 1 A 34 34 VAL HA H 34 3.522 3.751 -0.229 1
1 309 . 8 1 1 A 34 34 VAL C C 34 177.203 177.929 -0.726 1
1 310 . 8 1 1 A 34 34 VAL CA C 34 66.618 65.797 0.821 1
1 311 . 8 1 1 A 34 34 VAL CB C 34 31.697 31.592 0.105 1
1 314 . 8 1 1 A 34 34 VAL N N 34 119.474 120.756 -1.282 1
1 315 . 8 1 1 A 35 35 GLY H H 35 8.389 8.133 0.256 1
1 316 . 8 1 1 A 35 35 GLY HA2 H 35 3.901 3.767 0.134 1
1 317 . 8 1 1 A 35 35 GLY HA3 H 35 3.901 3.770 0.131 1
1 318 . 8 1 1 A 35 35 GLY C C 35 176.985 176.557 0.428 1
1 319 . 8 1 1 A 35 35 GLY CA C 35 46.976 47.497 -0.521 1
1 320 . 8 1 1 A 35 35 GLY N N 35 109.478 108.789 0.689 1
1 321 . 8 1 1 A 36 36 THR H H 36 8.142 8.189 -0.047 1
1 322 . 8 1 1 A 36 36 THR HA H 36 3.918 4.039 -0.121 1
1 327 . 8 1 1 A 36 36 THR C C 36 177.616 176.690 0.926 1
1 328 . 8 1 1 A 36 36 THR CA C 36 66.957 66.080 0.877 1
1 329 . 8 1 1 A 36 36 THR CB C 36 67.887 68.291 -0.404 1
1 331 . 8 1 1 A 36 36 THR N N 36 121.210 117.891 3.319 1
1 332 . 8 1 1 A 37 37 ARG H H 37 8.396 8.246 0.150 1
1 333 . 8 1 1 A 37 37 ARG HA H 37 3.712 3.902 -0.190 1
1 341 . 8 1 1 A 37 37 ARG C C 37 177.980 179.281 -1.301 1
1 342 . 8 1 1 A 37 37 ARG CA C 37 61.187 59.805 1.382 1
1 343 . 8 1 1 A 37 37 ARG CB C 37 31.250 30.146 1.104 1
1 346 . 8 1 1 A 37 37 ARG N N 37 121.196 120.306 0.890 1
1 348 . 8 1 1 A 38 38 GLU H H 38 8.843 8.457 0.386 1
1 349 . 8 1 1 A 38 38 GLU HA H 38 3.905 3.966 -0.061 1
1 354 . 8 1 1 A 38 38 GLU C C 38 178.636 179.081 -0.445 1
1 355 . 8 1 1 A 38 38 GLU CA C 38 59.797 59.232 0.565 1
1 356 . 8 1 1 A 38 38 GLU CB C 38 29.529 29.105 0.424 1
1 358 . 8 1 1 A 38 38 GLU N N 38 119.875 119.504 0.371 1
1 359 . 8 1 1 A 39 39 GLN H H 39 7.939 7.535 0.404 1
1 360 . 8 1 1 A 39 39 GLN HA H 39 3.977 3.957 0.020 1
1 367 . 8 1 1 A 39 39 GLN C C 39 178.782 177.995 0.787 1
1 368 . 8 1 1 A 39 39 GLN CA C 39 59.078 58.983 0.095 1
1 369 . 8 1 1 A 39 39 GLN CB C 39 28.426 28.466 -0.040 1
1 371 . 8 1 1 A 39 39 GLN N N 39 118.456 118.722 -0.266 1
1 373 . 8 1 1 A 40 40 LEU H H 40 7.515 8.320 -0.805 1
1 374 . 8 1 1 A 40 40 LEU HA H 40 4.129 4.027 0.102 1
1 384 . 8 1 1 A 40 40 LEU C C 40 178.150 178.261 -0.111 1
1 385 . 8 1 1 A 40 40 LEU CA C 40 58.273 58.267 0.006 1
1 386 . 8 1 1 A 40 40 LEU CB C 40 41.194 41.638 -0.444 1
1 390 . 8 1 1 A 40 40 LEU N N 40 121.414 122.213 -0.799 1
1 391 . 8 1 1 A 41 41 ALA H H 41 8.577 8.619 -0.042 1
1 392 . 8 1 1 A 41 41 ALA HA H 41 3.650 4.046 -0.396 1
1 396 . 8 1 1 A 41 41 ALA C C 41 179.559 180.392 -0.833 1
1 397 . 8 1 1 A 41 41 ALA CA C 41 55.925 55.545 0.380 1
1 398 . 8 1 1 A 41 41 ALA CB C 41 17.487 18.591 -1.104 1
1 399 . 8 1 1 A 41 41 ALA N N 41 121.362 120.931 0.431 1
1 400 . 8 1 1 A 42 42 ARG H H 42 7.986 7.768 0.218 1
1 401 . 8 1 1 A 42 42 ARG HA H 42 4.083 4.044 0.039 1
1 408 . 8 1 1 A 42 42 ARG C C 42 179.000 178.804 0.196 1
1 409 . 8 1 1 A 42 42 ARG CA C 42 58.578 59.715 -1.137 1
1 410 . 8 1 1 A 42 42 ARG CB C 42 30.495 30.001 0.494 1
1 413 . 8 1 1 A 42 42 ARG N N 42 114.579 117.618 -3.039 1
1 414 . 8 1 1 A 43 43 LYS H H 43 7.706 7.868 -0.162 1
1 415 . 8 1 1 A 43 43 LYS HA H 43 4.023 4.167 -0.144 1
1 424 . 8 1 1 A 43 43 LYS C C 43 178.248 178.543 -0.295 1
1 425 . 8 1 1 A 43 43 LYS CA C 43 59.177 59.017 0.160 1
1 426 . 8 1 1 A 43 43 LYS CB C 43 33.134 32.471 0.663 1
1 430 . 8 1 1 A 43 43 LYS N N 43 119.896 120.331 -0.435 1
1 431 . 8 1 1 A 44 44 VAL H H 44 7.681 7.917 -0.236 1
1 432 . 8 1 1 A 44 44 VAL HA H 44 4.522 4.300 0.222 1
1 440 . 8 1 1 A 44 44 VAL C C 44 174.654 174.854 -0.200 1
1 441 . 8 1 1 A 44 44 VAL CA C 44 59.912 61.324 -1.412 1
1 442 . 8 1 1 A 44 44 VAL CB C 44 30.979 31.485 -0.506 1
1 445 . 8 1 1 A 44 44 VAL N N 44 105.042 110.588 -5.546 1
1 446 . 8 1 1 A 45 45 HIS H H 45 7.398 7.891 -0.493 1
1 447 . 8 1 1 A 45 45 HIS HA H 45 4.293 4.184 0.109 1
1 451 . 8 1 1 A 45 45 HIS C C 45 174.144 173.919 0.225 1
1 452 . 8 1 1 A 45 45 HIS CA C 45 56.956 56.615 0.341 1
1 453 . 8 1 1 A 45 45 HIS CB C 45 26.353 26.582 -0.229 1
1 455 . 8 1 1 A 45 45 HIS N N 45 117.892 116.091 1.801 1
1 456 . 8 1 1 A 46 46 LEU H H 46 8.571 7.966 0.605 1
1 457 . 8 1 1 A 46 46 LEU HA H 46 4.855 4.917 -0.062 1
1 467 . 8 1 1 A 46 46 LEU C C 46 176.256 175.322 0.934 1
1 468 . 8 1 1 A 46 46 LEU CA C 46 52.689 53.336 -0.647 1
1 469 . 8 1 1 A 46 46 LEU CB C 46 47.746 45.712 2.034 1
1 473 . 8 1 1 A 46 46 LEU N N 46 119.288 118.690 0.598 1
1 474 . 8 1 1 A 47 47 ARG H H 47 7.979 8.791 -0.812 1
1 475 . 8 1 1 A 47 47 ARG HA H 47 4.439 4.484 -0.045 1
1 482 . 8 1 1 A 47 47 ARG C C 47 178.830 177.805 1.025 1
1 483 . 8 1 1 A 47 47 ARG CA C 47 55.871 55.145 0.726 1
1 484 . 8 1 1 A 47 47 ARG CB C 47 30.838 31.979 -1.141 1
1 487 . 8 1 1 A 47 47 ARG N N 47 119.085 120.254 -1.169 1
1 488 . 8 1 1 A 48 48 GLU H H 48 9.642 8.826 0.816 1
1 489 . 8 1 1 A 48 48 GLU HA H 48 3.644 3.907 -0.263 1
1 494 . 8 1 1 A 48 48 GLU C C 48 178.515 178.350 0.165 1
1 495 . 8 1 1 A 48 48 GLU CA C 48 61.612 59.798 1.814 1
1 496 . 8 1 1 A 48 48 GLU CB C 48 28.860 29.378 -0.518 1
1 498 . 8 1 1 A 48 48 GLU N N 48 125.963 122.568 3.395 1
1 499 . 8 1 1 A 49 49 GLU H H 49 9.638 8.337 1.301 1
1 500 . 8 1 1 A 49 49 GLU HA H 49 4.239 4.083 0.156 1
1 505 . 8 1 1 A 49 49 GLU C C 49 178.927 178.915 0.012 1
1 506 . 8 1 1 A 49 49 GLU CA C 49 59.681 59.379 0.302 1
1 507 . 8 1 1 A 49 49 GLU CB C 49 28.531 29.455 -0.924 1
1 509 . 8 1 1 A 49 49 GLU N N 49 118.929 118.429 0.500 1
1 510 . 8 1 1 A 50 50 LYS H H 50 7.398 7.830 -0.432 1
1 511 . 8 1 1 A 50 50 LYS HA H 50 4.318 4.157 0.161 1
1 520 . 8 1 1 A 50 50 LYS C C 50 179.486 179.214 0.272 1
1 521 . 8 1 1 A 50 50 LYS CA C 50 58.084 59.551 -1.467 1
1 522 . 8 1 1 A 50 50 LYS CB C 50 32.487 32.550 -0.063 1
1 526 . 8 1 1 A 50 50 LYS N N 50 117.569 120.040 -2.471 1
1 527 . 8 1 1 A 51 51 VAL H H 51 7.614 8.136 -0.522 1
1 528 . 8 1 1 A 51 51 VAL HA H 51 3.739 3.479 0.260 1
1 536 . 8 1 1 A 51 51 VAL C C 51 177.641 178.059 -0.418 1
1 537 . 8 1 1 A 51 51 VAL CA C 51 66.900 67.055 -0.155 1
1 538 . 8 1 1 A 51 51 VAL CB C 51 31.876 31.294 0.582 1
1 541 . 8 1 1 A 51 51 VAL N N 51 120.291 120.202 0.089 1
1 542 . 8 1 1 A 52 52 GLU H H 52 8.274 7.701 0.573 1
1 543 . 8 1 1 A 52 52 GLU HA H 52 4.198 3.814 0.384 1
1 547 . 8 1 1 A 52 52 GLU C C 52 179.073 178.513 0.560 1
1 548 . 8 1 1 A 52 52 GLU CA C 52 60.434 59.215 1.219 1
1 549 . 8 1 1 A 52 52 GLU CB C 52 29.073 29.542 -0.469 1
1 551 . 8 1 1 A 52 52 GLU N N 52 120.105 120.455 -0.350 1
1 552 . 8 1 1 A 53 53 VAL H H 53 7.936 7.877 0.059 1
1 553 . 8 1 1 A 53 53 VAL HA H 53 3.692 3.696 -0.004 1
1 561 . 8 1 1 A 53 53 VAL C C 53 177.592 178.174 -0.582 1
1 562 . 8 1 1 A 53 53 VAL CA C 53 66.935 66.640 0.295 1
1 563 . 8 1 1 A 53 53 VAL CB C 53 32.273 31.851 0.422 1
1 566 . 8 1 1 A 53 53 VAL N N 53 119.238 119.574 -0.336 1
1 567 . 8 1 1 A 54 54 TRP H H 54 8.321 8.146 0.175 1
1 568 . 8 1 1 A 54 54 TRP HA H 54 4.083 4.264 -0.181 1
1 577 . 8 1 1 A 54 54 TRP C C 54 179.802 178.386 1.416 1
1 578 . 8 1 1 A 54 54 TRP CA C 54 63.129 61.508 1.621 1
1 579 . 8 1 1 A 54 54 TRP CB C 54 28.635 29.578 -0.943 1
1 585 . 8 1 1 A 54 54 TRP N N 54 121.382 121.307 0.075 1
1 587 . 8 1 1 A 55 55 PHE H H 55 8.834 8.278 0.556 1
1 588 . 8 1 1 A 55 55 PHE HA H 55 3.676 4.091 -0.415 1
1 596 . 8 1 1 A 55 55 PHE C C 55 178.150 178.207 -0.057 1
1 597 . 8 1 1 A 55 55 PHE CA C 55 64.096 61.883 2.213 1
1 598 . 8 1 1 A 55 55 PHE CB C 55 39.358 38.958 0.400 1
1 604 . 8 1 1 A 55 55 PHE N N 55 118.755 118.031 0.724 1
1 605 . 8 1 1 A 56 56 LYS H H 56 8.241 8.398 -0.157 1
1 606 . 8 1 1 A 56 56 LYS HA H 56 3.977 3.899 0.078 1
1 612 . 8 1 1 A 56 56 LYS C C 56 180.166 179.657 0.509 1
1 613 . 8 1 1 A 56 56 LYS CA C 56 60.744 59.759 0.985 1
1 614 . 8 1 1 A 56 56 LYS CB C 56 32.322 32.443 -0.121 1
1 618 . 8 1 1 A 56 56 LYS N N 56 120.065 118.163 1.902 1
1 619 . 8 1 1 A 57 57 ASN H H 57 8.084 8.060 0.024 1
1 620 . 8 1 1 A 57 57 ASN HA H 57 4.367 4.401 -0.034 1
1 625 . 8 1 1 A 57 57 ASN C C 57 177.422 178.068 -0.646 1
1 626 . 8 1 1 A 57 57 ASN CA C 57 55.660 56.315 -0.655 1
1 627 . 8 1 1 A 57 57 ASN CB C 57 38.008 37.523 0.485 1
1 628 . 8 1 1 A 57 57 ASN N N 57 118.967 118.085 0.882 1
1 630 . 8 1 1 A 58 58 ARG H H 58 8.575 7.399 1.176 1
1 631 . 8 1 1 A 58 58 ARG HA H 58 3.463 3.642 -0.179 1
1 639 . 8 1 1 A 58 58 ARG C C 58 180.044 178.572 1.472 1
1 640 . 8 1 1 A 58 58 ARG CA C 58 56.568 58.994 -2.426 1
1 641 . 8 1 1 A 58 58 ARG CB C 58 28.155 28.916 -0.761 1
1 644 . 8 1 1 A 58 58 ARG N N 58 124.441 119.393 5.048 1
1 646 . 8 1 1 A 59 59 ARG H H 59 8.490 8.495 -0.005 1
1 647 . 8 1 1 A 59 59 ARG HA H 59 4.334 4.393 -0.059 1
1 653 . 8 1 1 A 59 59 ARG C C 59 178.223 178.669 -0.446 1
1 654 . 8 1 1 A 59 59 ARG CA C 59 60.699 59.205 1.494 1
1 655 . 8 1 1 A 59 59 ARG CB C 59 31.905 30.200 1.705 1
1 658 . 8 1 1 A 59 59 ARG N N 59 118.847 118.667 0.180 1
1 659 . 8 1 1 A 60 60 ALA H H 60 7.459 8.281 -0.822 1
1 660 . 8 1 1 A 60 60 ALA HA H 60 4.225 4.214 0.011 1
1 664 . 8 1 1 A 60 60 ALA C C 60 179.680 180.070 -0.390 1
1 665 . 8 1 1 A 60 60 ALA CA C 60 55.051 55.176 -0.125 1
1 666 . 8 1 1 A 60 60 ALA CB C 60 17.817 18.359 -0.542 1
1 667 . 8 1 1 A 60 60 ALA N N 60 121.387 122.435 -1.048 1
1 668 . 8 1 1 A 61 61 LYS H H 61 7.452 7.812 -0.360 1
1 669 . 8 1 1 A 61 61 LYS HA H 61 4.042 4.044 -0.002 1
1 676 . 8 1 1 A 61 61 LYS C C 61 178.078 179.133 -1.055 1
1 677 . 8 1 1 A 61 61 LYS CA C 61 58.472 58.533 -0.061 1
1 678 . 8 1 1 A 61 61 LYS CB C 61 32.734 32.458 0.276 1
1 682 . 8 1 1 A 61 61 LYS N N 61 118.087 117.006 1.081 1
1 683 . 8 1 1 A 62 62 TRP H H 62 8.008 8.216 -0.208 1
1 684 . 8 1 1 A 62 62 TRP HA H 62 4.632 4.206 0.426 1
1 693 . 8 1 1 A 62 62 TRP C C 62 177.471 178.470 -0.999 1
1 694 . 8 1 1 A 62 62 TRP CA C 62 59.120 60.722 -1.602 1
1 695 . 8 1 1 A 62 62 TRP CB C 62 29.366 30.152 -0.786 1
1 701 . 8 1 1 A 62 62 TRP N N 62 121.749 121.860 -0.111 1
1 703 . 8 1 1 A 63 63 ARG H H 63 8.286 8.337 -0.051 1
1 704 . 8 1 1 A 63 63 ARG HA H 63 3.736 3.530 0.206 1
1 711 . 8 1 1 A 63 63 ARG C C 63 176.888 178.384 -1.496 1
1 712 . 8 1 1 A 63 63 ARG CA C 63 57.385 58.565 -1.180 1
1 713 . 8 1 1 A 63 63 ARG CB C 63 30.726 30.249 0.477 1
1 716 . 8 1 1 A 63 63 ARG N N 63 119.622 120.213 -0.591 1
1 717 . 8 1 1 A 64 64 ARG H H 64 7.670 8.421 -0.751 1
1 718 . 8 1 1 A 64 64 ARG HA H 64 4.196 4.091 0.105 1
1 723 . 8 1 1 A 64 64 ARG C C 64 176.645 175.383 1.262 1
1 724 . 8 1 1 A 64 64 ARG CA C 64 56.956 59.035 -2.079 1
1 725 . 8 1 1 A 64 64 ARG CB C 64 30.369 30.070 0.299 1
1 728 . 8 1 1 A 64 64 ARG N N 64 119.096 119.907 -0.811 1
1 729 . 8 1 1 A 65 65 SER H H 65 7.962 8.092 -0.130 1
1 730 . 8 1 1 A 65 65 SER HA H 65 4.474 4.887 -0.413 1
1 733 . 8 1 1 A 65 65 SER C C 65 174.435 174.113 0.322 1
1 734 . 8 1 1 A 65 65 SER CA C 65 58.837 57.124 1.713 1
1 735 . 8 1 1 A 65 65 SER CB C 65 63.947 66.640 -2.693 1
1 736 . 8 1 1 A 65 65 SER N N 65 115.352 113.430 1.922 1
1 737 . 8 1 1 A 66 66 GLY H H 66 8.031 8.359 -0.328 1
1 738 . 8 1 1 A 66 66 GLY HA2 H 66 4.068 4.102 -0.034 1
1 739 . 8 1 1 A 66 66 GLY C C 66 171.813 174.242 -2.429 1
1 740 . 8 1 1 A 66 66 GLY CA C 66 44.800 44.889 -0.089 1
1 741 . 8 1 1 A 66 66 GLY N N 66 110.503 109.498 1.005 1
1 742 . 8 1 1 A 67 67 PRO HA H 67 4.456 4.480 -0.024 1
1 747 . 8 1 1 A 67 67 PRO CA C 67 63.352 63.756 -0.404 1
1 748 . 8 1 1 A 67 67 PRO CB C 67 32.167 31.671 0.496 1
1 751 . 8 1 1 A 68 68 SER HA H 68 4.457 4.473 -0.016 1
1 754 . 8 1 1 A 68 68 SER C C 68 174.654 173.520 1.134 1
1 755 . 8 1 1 A 68 68 SER CA C 68 58.612 56.921 1.691 1
1 756 . 8 1 1 A 68 68 SER CB C 68 63.845 65.404 -1.559 1
1 757 . 8 1 1 A 69 69 SER HA H 69 4.491 5.181 -0.690 1
1 760 . 8 1 1 A 69 69 SER C C 69 173.925 174.071 -0.146 1
1 761 . 8 1 1 A 69 69 SER CA C 69 58.423 57.475 0.948 1
1 762 . 8 1 1 A 69 69 SER CB C 69 63.969 65.530 -1.561 1
1 1 . 9 1 1 A 10 10 HIS HA H 10 4.605 4.657 -0.052 1
1 5 . 9 1 1 A 10 10 HIS CA C 10 56.397 56.219 0.178 1
1 6 . 9 1 1 A 10 10 HIS CB C 10 29.857 31.045 -1.188 1
1 8 . 9 1 1 A 12 12 THR HA H 12 4.305 3.971 0.334 1
1 13 . 9 1 1 A 12 12 THR C C 12 173.925 173.748 0.177 1
1 14 . 9 1 1 A 12 12 THR CA C 12 62.068 64.014 -1.946 1
1 15 . 9 1 1 A 12 12 THR CB C 12 69.817 68.846 0.971 1
1 17 . 9 1 1 A 13 13 ILE H H 13 8.188 8.776 -0.588 1
1 18 . 9 1 1 A 13 13 ILE HA H 13 4.139 4.515 -0.376 1
1 28 . 9 1 1 A 13 13 ILE C C 13 175.795 175.498 0.297 1
1 29 . 9 1 1 A 13 13 ILE CA C 13 61.202 60.037 1.165 1
1 30 . 9 1 1 A 13 13 ILE CB C 13 38.686 39.477 -0.791 1
1 34 . 9 1 1 A 13 13 ILE N N 13 123.673 128.255 -4.582 1
1 35 . 9 1 1 A 14 14 PHE H H 14 8.178 8.961 -0.783 1
1 36 . 9 1 1 A 14 14 PHE HA H 14 4.977 4.715 0.262 1
1 44 . 9 1 1 A 14 14 PHE C C 14 176.475 175.881 0.594 1
1 45 . 9 1 1 A 14 14 PHE CA C 14 57.025 57.898 -0.873 1
1 46 . 9 1 1 A 14 14 PHE CB C 14 41.482 40.036 1.446 1
1 52 . 9 1 1 A 14 14 PHE N N 14 122.586 126.246 -3.660 1
1 53 . 9 1 1 A 15 15 THR H H 15 8.792 9.111 -0.319 1
1 54 . 9 1 1 A 15 15 THR HA H 15 4.462 4.617 -0.155 1
1 59 . 9 1 1 A 15 15 THR C C 15 175.261 175.587 -0.326 1
1 60 . 9 1 1 A 15 15 THR CA C 15 60.623 60.544 0.079 1
1 61 . 9 1 1 A 15 15 THR CB C 15 70.645 71.174 -0.529 1
1 63 . 9 1 1 A 15 15 THR N N 15 113.201 113.966 -0.765 1
1 64 . 9 1 1 A 16 16 ASP H H 16 9.018 9.200 -0.182 1
1 65 . 9 1 1 A 16 16 ASP HA H 16 4.371 4.344 0.027 1
1 68 . 9 1 1 A 16 16 ASP C C 16 178.806 178.024 0.782 1
1 69 . 9 1 1 A 16 16 ASP CA C 16 58.163 57.162 1.001 1
1 70 . 9 1 1 A 16 16 ASP CB C 16 39.689 39.925 -0.236 1
1 71 . 9 1 1 A 16 16 ASP N N 16 121.802 121.450 0.352 1
1 72 . 9 1 1 A 17 17 GLU H H 17 8.785 8.259 0.526 1
1 73 . 9 1 1 A 17 17 GLU HA H 17 4.054 3.944 0.110 1
1 78 . 9 1 1 A 17 17 GLU C C 17 180.044 178.887 1.157 1
1 79 . 9 1 1 A 17 17 GLU CA C 17 59.706 59.750 -0.044 1
1 80 . 9 1 1 A 17 17 GLU CB C 17 29.520 29.344 0.176 1
1 82 . 9 1 1 A 17 17 GLU N N 17 119.474 119.591 -0.117 1
1 83 . 9 1 1 A 18 18 GLN H H 18 7.700 8.129 -0.429 1
1 84 . 9 1 1 A 18 18 GLN HA H 18 3.665 3.851 -0.186 1
1 91 . 9 1 1 A 18 18 GLN C C 18 177.009 178.525 -1.516 1
1 92 . 9 1 1 A 18 18 GLN CA C 18 59.354 59.124 0.230 1
1 93 . 9 1 1 A 18 18 GLN CB C 18 27.377 28.194 -0.817 1
1 95 . 9 1 1 A 18 18 GLN N N 18 119.784 118.273 1.511 1
1 97 . 9 1 1 A 19 19 LEU H H 19 8.383 8.126 0.257 1
1 98 . 9 1 1 A 19 19 LEU HA H 19 3.585 3.520 0.065 1
1 108 . 9 1 1 A 19 19 LEU C C 19 178.830 178.523 0.307 1
1 109 . 9 1 1 A 19 19 LEU CA C 19 57.908 57.778 0.130 1
1 110 . 9 1 1 A 19 19 LEU CB C 19 41.703 41.410 0.293 1
1 114 . 9 1 1 A 19 19 LEU N N 19 117.889 119.846 -1.957 1
1 115 . 9 1 1 A 20 20 GLU H H 20 8.119 8.627 -0.508 1
1 116 . 9 1 1 A 20 20 GLU HA H 20 3.897 3.891 0.006 1
1 121 . 9 1 1 A 20 20 GLU C C 20 178.126 178.486 -0.360 1
1 122 . 9 1 1 A 20 20 GLU CA C 20 59.248 59.347 -0.099 1
1 123 . 9 1 1 A 20 20 GLU CB C 20 29.697 29.173 0.524 1
1 125 . 9 1 1 A 20 20 GLU N N 20 118.697 119.908 -1.211 1
1 126 . 9 1 1 A 21 21 ALA H H 21 7.309 7.819 -0.510 1
1 127 . 9 1 1 A 21 21 ALA HA H 21 4.057 4.097 -0.040 1
1 131 . 9 1 1 A 21 21 ALA C C 21 180.773 179.788 0.985 1
1 132 . 9 1 1 A 21 21 ALA CA C 21 54.947 55.104 -0.157 1
1 133 . 9 1 1 A 21 21 ALA CB C 21 18.888 18.474 0.414 1
1 134 . 9 1 1 A 21 21 ALA N N 21 120.540 120.963 -0.423 1
1 135 . 9 1 1 A 22 22 LEU H H 22 8.070 8.209 -0.139 1
1 136 . 9 1 1 A 22 22 LEU HA H 22 3.428 3.862 -0.434 1
1 146 . 9 1 1 A 22 22 LEU C C 22 177.131 179.329 -2.198 1
1 147 . 9 1 1 A 22 22 LEU CA C 22 58.408 57.896 0.512 1
1 148 . 9 1 1 A 22 22 LEU CB C 22 38.173 40.757 -2.584 1
1 152 . 9 1 1 A 22 22 LEU N N 22 121.563 117.668 3.895 1
1 153 . 9 1 1 A 23 23 GLU H H 23 7.997 8.079 -0.082 1
1 154 . 9 1 1 A 23 23 GLU HA H 23 4.289 4.191 0.098 1
1 159 . 9 1 1 A 23 23 GLU C C 23 179.510 179.396 0.114 1
1 160 . 9 1 1 A 23 23 GLU CA C 23 58.734 59.856 -1.122 1
1 161 . 9 1 1 A 23 23 GLU CB C 23 28.879 29.444 -0.565 1
1 163 . 9 1 1 A 23 23 GLU N N 23 118.641 117.024 1.617 1
1 164 . 9 1 1 A 24 24 ASN H H 24 8.282 8.344 -0.062 1
1 165 . 9 1 1 A 24 24 ASN HA H 24 4.443 4.575 -0.132 1
1 170 . 9 1 1 A 24 24 ASN C C 24 178.563 178.166 0.397 1
1 171 . 9 1 1 A 24 24 ASN CA C 24 56.145 56.395 -0.250 1
1 172 . 9 1 1 A 24 24 ASN CB C 24 38.055 38.100 -0.045 1
1 173 . 9 1 1 A 24 24 ASN N N 24 117.495 118.306 -0.811 1
1 175 . 9 1 1 A 25 25 LEU H H 25 7.852 8.025 -0.173 1
1 176 . 9 1 1 A 25 25 LEU HA H 25 4.445 4.213 0.232 1
1 186 . 9 1 1 A 25 25 LEU C C 25 177.276 178.383 -1.107 1
1 187 . 9 1 1 A 25 25 LEU CA C 25 57.963 57.688 0.275 1
1 188 . 9 1 1 A 25 25 LEU CB C 25 40.400 41.977 -1.577 1
1 192 . 9 1 1 A 25 25 LEU N N 25 121.261 120.562 0.699 1
1 193 . 9 1 1 A 26 26 PHE H H 26 8.711 8.875 -0.164 1
1 194 . 9 1 1 A 26 26 PHE HA H 26 4.628 4.418 0.210 1
1 202 . 9 1 1 A 26 26 PHE C C 26 176.232 177.827 -1.595 1
1 203 . 9 1 1 A 26 26 PHE CA C 26 61.011 60.938 0.073 1
1 204 . 9 1 1 A 26 26 PHE CB C 26 38.906 38.561 0.345 1
1 210 . 9 1 1 A 26 26 PHE N N 26 120.816 119.478 1.338 1
1 211 . 9 1 1 A 27 27 GLN H H 27 8.007 8.151 -0.144 1
1 212 . 9 1 1 A 27 27 GLN HA H 27 3.665 3.534 0.131 1
1 219 . 9 1 1 A 27 27 GLN C C 27 177.106 178.681 -1.575 1
1 220 . 9 1 1 A 27 27 GLN CA C 27 57.892 59.312 -1.420 1
1 221 . 9 1 1 A 27 27 GLN CB C 27 28.195 28.610 -0.415 1
1 223 . 9 1 1 A 27 27 GLN N N 27 114.037 118.088 -4.051 1
1 225 . 9 1 1 A 28 28 GLU H H 28 7.467 8.130 -0.663 1
1 226 . 9 1 1 A 28 28 GLU HA H 28 4.190 4.161 0.029 1
1 231 . 9 1 1 A 28 28 GLU C C 28 177.106 176.117 0.989 1
1 232 . 9 1 1 A 28 28 GLU CA C 28 58.138 58.735 -0.597 1
1 233 . 9 1 1 A 28 28 GLU CB C 28 30.756 29.088 1.668 1
1 235 . 9 1 1 A 28 28 GLU N N 28 119.193 117.051 2.142 1
1 236 . 9 1 1 A 29 29 THR H H 29 8.971 7.923 1.048 1
1 237 . 9 1 1 A 29 29 THR HA H 29 4.321 4.649 -0.328 1
1 242 . 9 1 1 A 29 29 THR C C 29 170.526 173.902 -3.376 1
1 243 . 9 1 1 A 29 29 THR CA C 29 59.885 60.033 -0.148 1
1 244 . 9 1 1 A 29 29 THR CB C 29 69.656 70.848 -1.192 1
1 246 . 9 1 1 A 29 29 THR N N 29 116.904 113.600 3.304 1
1 247 . 9 1 1 A 30 30 LYS H H 30 7.942 8.588 -0.646 1
1 248 . 9 1 1 A 30 30 LYS HA H 30 3.765 4.078 -0.313 1
1 257 . 9 1 1 A 30 30 LYS C C 30 175.844 176.688 -0.844 1
1 258 . 9 1 1 A 30 30 LYS CA C 30 56.583 58.251 -1.668 1
1 259 . 9 1 1 A 30 30 LYS CB C 30 32.421 33.090 -0.669 1
1 263 . 9 1 1 A 30 30 LYS N N 30 123.132 126.032 -2.900 1
1 264 . 9 1 1 A 31 31 TYR H H 31 7.788 8.036 -0.248 1
1 265 . 9 1 1 A 31 31 TYR HA H 31 4.608 5.102 -0.494 1
1 272 . 9 1 1 A 31 31 TYR C C 31 172.687 173.126 -0.439 1
1 273 . 9 1 1 A 31 31 TYR CA C 31 54.864 54.787 0.077 1
1 274 . 9 1 1 A 31 31 TYR CB C 31 38.777 39.260 -0.483 1
1 279 . 9 1 1 A 31 31 TYR N N 31 113.626 117.266 -3.640 1
1 280 . 9 1 1 A 32 32 PRO HA H 32 4.399 4.637 -0.238 1
1 287 . 9 1 1 A 32 32 PRO C C 32 177.203 175.614 1.589 1
1 288 . 9 1 1 A 32 32 PRO CA C 32 62.668 62.337 0.331 1
1 289 . 9 1 1 A 32 32 PRO CB C 32 31.394 32.745 -1.351 1
1 292 . 9 1 1 A 33 33 ASP H H 33 8.548 8.638 -0.090 1
1 293 . 9 1 1 A 33 33 ASP HA H 33 4.473 5.014 -0.541 1
1 296 . 9 1 1 A 33 33 ASP C C 33 175.989 177.666 -1.677 1
1 297 . 9 1 1 A 33 33 ASP CA C 33 52.775 53.164 -0.389 1
1 298 . 9 1 1 A 33 33 ASP CB C 33 41.295 41.613 -0.318 1
1 299 . 9 1 1 A 33 33 ASP N N 33 123.152 120.655 2.497 1
1 300 . 9 1 1 A 34 34 VAL H H 34 8.493 8.537 -0.044 1
1 301 . 9 1 1 A 34 34 VAL HA H 34 3.522 3.757 -0.235 1
1 309 . 9 1 1 A 34 34 VAL C C 34 177.203 177.981 -0.778 1
1 310 . 9 1 1 A 34 34 VAL CA C 34 66.618 65.788 0.830 1
1 311 . 9 1 1 A 34 34 VAL CB C 34 31.697 31.558 0.139 1
1 314 . 9 1 1 A 34 34 VAL N N 34 119.474 124.883 -5.409 1
1 315 . 9 1 1 A 35 35 GLY H H 35 8.389 8.164 0.225 1
1 316 . 9 1 1 A 35 35 GLY HA2 H 35 3.901 3.797 0.104 1
1 317 . 9 1 1 A 35 35 GLY HA3 H 35 3.901 3.800 0.101 1
1 318 . 9 1 1 A 35 35 GLY C C 35 176.985 176.292 0.693 1
1 319 . 9 1 1 A 35 35 GLY CA C 35 46.976 47.497 -0.521 1
1 320 . 9 1 1 A 35 35 GLY N N 35 109.478 108.775 0.703 1
1 321 . 9 1 1 A 36 36 THR H H 36 8.142 7.760 0.382 1
1 322 . 9 1 1 A 36 36 THR HA H 36 3.918 4.030 -0.112 1
1 327 . 9 1 1 A 36 36 THR C C 36 177.616 176.538 1.078 1
1 328 . 9 1 1 A 36 36 THR CA C 36 66.957 66.126 0.831 1
1 329 . 9 1 1 A 36 36 THR CB C 36 67.887 68.102 -0.215 1
1 331 . 9 1 1 A 36 36 THR N N 36 121.210 118.033 3.177 1
1 332 . 9 1 1 A 37 37 ARG H H 37 8.396 8.201 0.195 1
1 333 . 9 1 1 A 37 37 ARG HA H 37 3.712 3.920 -0.208 1
1 341 . 9 1 1 A 37 37 ARG C C 37 177.980 179.220 -1.240 1
1 342 . 9 1 1 A 37 37 ARG CA C 37 61.187 59.783 1.404 1
1 343 . 9 1 1 A 37 37 ARG CB C 37 31.250 30.260 0.990 1
1 346 . 9 1 1 A 37 37 ARG N N 37 121.196 120.342 0.854 1
1 348 . 9 1 1 A 38 38 GLU H H 38 8.843 8.325 0.518 1
1 349 . 9 1 1 A 38 38 GLU HA H 38 3.905 4.060 -0.155 1
1 354 . 9 1 1 A 38 38 GLU C C 38 178.636 179.018 -0.382 1
1 355 . 9 1 1 A 38 38 GLU CA C 38 59.797 58.889 0.908 1
1 356 . 9 1 1 A 38 38 GLU CB C 38 29.529 29.163 0.366 1
1 358 . 9 1 1 A 38 38 GLU N N 38 119.875 119.457 0.418 1
1 359 . 9 1 1 A 39 39 GLN H H 39 7.939 7.788 0.151 1
1 360 . 9 1 1 A 39 39 GLN HA H 39 3.977 3.954 0.023 1
1 367 . 9 1 1 A 39 39 GLN C C 39 178.782 178.050 0.732 1
1 368 . 9 1 1 A 39 39 GLN CA C 39 59.078 59.011 0.067 1
1 369 . 9 1 1 A 39 39 GLN CB C 39 28.426 28.454 -0.028 1
1 371 . 9 1 1 A 39 39 GLN N N 39 118.456 118.971 -0.515 1
1 373 . 9 1 1 A 40 40 LEU H H 40 7.515 8.443 -0.928 1
1 374 . 9 1 1 A 40 40 LEU HA H 40 4.129 4.031 0.098 1
1 384 . 9 1 1 A 40 40 LEU C C 40 178.150 178.233 -0.083 1
1 385 . 9 1 1 A 40 40 LEU CA C 40 58.273 58.231 0.042 1
1 386 . 9 1 1 A 40 40 LEU CB C 40 41.194 41.371 -0.177 1
1 390 . 9 1 1 A 40 40 LEU N N 40 121.414 122.019 -0.605 1
1 391 . 9 1 1 A 41 41 ALA H H 41 8.577 8.590 -0.013 1
1 392 . 9 1 1 A 41 41 ALA HA H 41 3.650 4.059 -0.409 1
1 396 . 9 1 1 A 41 41 ALA C C 41 179.559 180.222 -0.663 1
1 397 . 9 1 1 A 41 41 ALA CA C 41 55.925 55.549 0.376 1
1 398 . 9 1 1 A 41 41 ALA CB C 41 17.487 18.617 -1.130 1
1 399 . 9 1 1 A 41 41 ALA N N 41 121.362 121.001 0.361 1
1 400 . 9 1 1 A 42 42 ARG H H 42 7.986 7.826 0.160 1
1 401 . 9 1 1 A 42 42 ARG HA H 42 4.083 4.001 0.082 1
1 408 . 9 1 1 A 42 42 ARG C C 42 179.000 178.593 0.407 1
1 409 . 9 1 1 A 42 42 ARG CA C 42 58.578 59.695 -1.117 1
1 410 . 9 1 1 A 42 42 ARG CB C 42 30.495 29.965 0.530 1
1 413 . 9 1 1 A 42 42 ARG N N 42 114.579 117.599 -3.020 1
1 414 . 9 1 1 A 43 43 LYS H H 43 7.706 7.845 -0.139 1
1 415 . 9 1 1 A 43 43 LYS HA H 43 4.023 4.106 -0.083 1
1 424 . 9 1 1 A 43 43 LYS C C 43 178.248 178.601 -0.353 1
1 425 . 9 1 1 A 43 43 LYS CA C 43 59.177 58.967 0.210 1
1 426 . 9 1 1 A 43 43 LYS CB C 43 33.134 32.369 0.765 1
1 430 . 9 1 1 A 43 43 LYS N N 43 119.896 120.572 -0.676 1
1 431 . 9 1 1 A 44 44 VAL H H 44 7.681 7.806 -0.125 1
1 432 . 9 1 1 A 44 44 VAL HA H 44 4.522 4.385 0.137 1
1 440 . 9 1 1 A 44 44 VAL C C 44 174.654 174.919 -0.265 1
1 441 . 9 1 1 A 44 44 VAL CA C 44 59.912 61.469 -1.557 1
1 442 . 9 1 1 A 44 44 VAL CB C 44 30.979 31.513 -0.534 1
1 445 . 9 1 1 A 44 44 VAL N N 44 105.042 110.591 -5.549 1
1 446 . 9 1 1 A 45 45 HIS H H 45 7.398 7.756 -0.358 1
1 447 . 9 1 1 A 45 45 HIS HA H 45 4.293 4.192 0.101 1
1 451 . 9 1 1 A 45 45 HIS C C 45 174.144 173.934 0.210 1
1 452 . 9 1 1 A 45 45 HIS CA C 45 56.956 56.625 0.331 1
1 453 . 9 1 1 A 45 45 HIS CB C 45 26.353 26.595 -0.242 1
1 455 . 9 1 1 A 45 45 HIS N N 45 117.892 116.078 1.814 1
1 456 . 9 1 1 A 46 46 LEU H H 46 8.571 7.918 0.653 1
1 457 . 9 1 1 A 46 46 LEU HA H 46 4.855 4.944 -0.089 1
1 467 . 9 1 1 A 46 46 LEU C C 46 176.256 175.113 1.143 1
1 468 . 9 1 1 A 46 46 LEU CA C 46 52.689 53.353 -0.664 1
1 469 . 9 1 1 A 46 46 LEU CB C 46 47.746 45.864 1.882 1
1 473 . 9 1 1 A 46 46 LEU N N 46 119.288 118.674 0.614 1
1 474 . 9 1 1 A 47 47 ARG H H 47 7.979 8.725 -0.746 1
1 475 . 9 1 1 A 47 47 ARG HA H 47 4.439 4.513 -0.074 1
1 482 . 9 1 1 A 47 47 ARG C C 47 178.830 177.349 1.481 1
1 483 . 9 1 1 A 47 47 ARG CA C 47 55.871 54.824 1.047 1
1 484 . 9 1 1 A 47 47 ARG CB C 47 30.838 31.958 -1.120 1
1 487 . 9 1 1 A 47 47 ARG N N 47 119.085 119.860 -0.775 1
1 488 . 9 1 1 A 48 48 GLU H H 48 9.642 8.826 0.816 1
1 489 . 9 1 1 A 48 48 GLU HA H 48 3.644 3.941 -0.297 1
1 494 . 9 1 1 A 48 48 GLU C C 48 178.515 178.247 0.268 1
1 495 . 9 1 1 A 48 48 GLU CA C 48 61.612 59.569 2.043 1
1 496 . 9 1 1 A 48 48 GLU CB C 48 28.860 29.340 -0.480 1
1 498 . 9 1 1 A 48 48 GLU N N 48 125.963 122.996 2.967 1
1 499 . 9 1 1 A 49 49 GLU H H 49 9.638 8.454 1.184 1
1 500 . 9 1 1 A 49 49 GLU HA H 49 4.239 4.080 0.159 1
1 505 . 9 1 1 A 49 49 GLU C C 49 178.927 178.976 -0.049 1
1 506 . 9 1 1 A 49 49 GLU CA C 49 59.681 59.371 0.310 1
1 507 . 9 1 1 A 49 49 GLU CB C 49 28.531 29.474 -0.943 1
1 509 . 9 1 1 A 49 49 GLU N N 49 118.929 118.279 0.650 1
1 510 . 9 1 1 A 50 50 LYS H H 50 7.398 7.833 -0.435 1
1 511 . 9 1 1 A 50 50 LYS HA H 50 4.318 4.174 0.144 1
1 520 . 9 1 1 A 50 50 LYS C C 50 179.486 179.211 0.275 1
1 521 . 9 1 1 A 50 50 LYS CA C 50 58.084 59.578 -1.494 1
1 522 . 9 1 1 A 50 50 LYS CB C 50 32.487 32.385 0.102 1
1 526 . 9 1 1 A 50 50 LYS N N 50 117.569 119.927 -2.358 1
1 527 . 9 1 1 A 51 51 VAL H H 51 7.614 7.982 -0.368 1
1 528 . 9 1 1 A 51 51 VAL HA H 51 3.739 3.559 0.180 1
1 536 . 9 1 1 A 51 51 VAL C C 51 177.641 177.901 -0.260 1
1 537 . 9 1 1 A 51 51 VAL CA C 51 66.900 67.067 -0.167 1
1 538 . 9 1 1 A 51 51 VAL CB C 51 31.876 31.372 0.504 1
1 541 . 9 1 1 A 51 51 VAL N N 51 120.291 120.389 -0.098 1
1 542 . 9 1 1 A 52 52 GLU H H 52 8.274 7.840 0.434 1
1 543 . 9 1 1 A 52 52 GLU HA H 52 4.198 3.859 0.339 1
1 547 . 9 1 1 A 52 52 GLU C C 52 179.073 178.481 0.592 1
1 548 . 9 1 1 A 52 52 GLU CA C 52 60.434 59.418 1.016 1
1 549 . 9 1 1 A 52 52 GLU CB C 52 29.073 29.703 -0.630 1
1 551 . 9 1 1 A 52 52 GLU N N 52 120.105 120.566 -0.461 1
1 552 . 9 1 1 A 53 53 VAL H H 53 7.936 7.812 0.124 1
1 553 . 9 1 1 A 53 53 VAL HA H 53 3.692 3.696 -0.004 1
1 561 . 9 1 1 A 53 53 VAL C C 53 177.592 178.265 -0.673 1
1 562 . 9 1 1 A 53 53 VAL CA C 53 66.935 66.636 0.299 1
1 563 . 9 1 1 A 53 53 VAL CB C 53 32.273 31.770 0.503 1
1 566 . 9 1 1 A 53 53 VAL N N 53 119.238 119.411 -0.173 1
1 567 . 9 1 1 A 54 54 TRP H H 54 8.321 8.158 0.163 1
1 568 . 9 1 1 A 54 54 TRP HA H 54 4.083 4.191 -0.108 1
1 577 . 9 1 1 A 54 54 TRP C C 54 179.802 177.886 1.916 1
1 578 . 9 1 1 A 54 54 TRP CA C 54 63.129 61.597 1.532 1
1 579 . 9 1 1 A 54 54 TRP CB C 54 28.635 30.044 -1.409 1
1 585 . 9 1 1 A 54 54 TRP N N 54 121.382 121.291 0.091 1
1 587 . 9 1 1 A 55 55 PHE H H 55 8.834 8.375 0.459 1
1 588 . 9 1 1 A 55 55 PHE HA H 55 3.676 3.636 0.040 1
1 596 . 9 1 1 A 55 55 PHE C C 55 178.150 177.914 0.236 1
1 597 . 9 1 1 A 55 55 PHE CA C 55 64.096 61.638 2.458 1
1 598 . 9 1 1 A 55 55 PHE CB C 55 39.358 38.472 0.886 1
1 604 . 9 1 1 A 55 55 PHE N N 55 118.755 117.965 0.790 1
1 605 . 9 1 1 A 56 56 LYS H H 56 8.241 8.195 0.046 1
1 606 . 9 1 1 A 56 56 LYS HA H 56 3.977 3.867 0.110 1
1 612 . 9 1 1 A 56 56 LYS C C 56 180.166 179.475 0.691 1
1 613 . 9 1 1 A 56 56 LYS CA C 56 60.744 59.184 1.560 1
1 614 . 9 1 1 A 56 56 LYS CB C 56 32.322 31.930 0.392 1
1 618 . 9 1 1 A 56 56 LYS N N 56 120.065 118.201 1.864 1
1 619 . 9 1 1 A 57 57 ASN H H 57 8.084 8.335 -0.251 1
1 620 . 9 1 1 A 57 57 ASN HA H 57 4.367 4.334 0.033 1
1 625 . 9 1 1 A 57 57 ASN C C 57 177.422 177.998 -0.576 1
1 626 . 9 1 1 A 57 57 ASN CA C 57 55.660 56.255 -0.595 1
1 627 . 9 1 1 A 57 57 ASN CB C 57 38.008 38.079 -0.071 1
1 628 . 9 1 1 A 57 57 ASN N N 57 118.967 118.379 0.588 1
1 630 . 9 1 1 A 58 58 ARG H H 58 8.575 7.721 0.854 1
1 631 . 9 1 1 A 58 58 ARG HA H 58 3.463 3.543 -0.080 1
1 639 . 9 1 1 A 58 58 ARG C C 58 180.044 178.978 1.066 1
1 640 . 9 1 1 A 58 58 ARG CA C 58 56.568 59.495 -2.927 1
1 641 . 9 1 1 A 58 58 ARG CB C 58 28.155 29.107 -0.952 1
1 644 . 9 1 1 A 58 58 ARG N N 58 124.441 118.855 5.586 1
1 646 . 9 1 1 A 59 59 ARG H H 59 8.490 7.711 0.779 1
1 647 . 9 1 1 A 59 59 ARG HA H 59 4.334 4.208 0.126 1
1 653 . 9 1 1 A 59 59 ARG C C 59 178.223 178.804 -0.581 1
1 654 . 9 1 1 A 59 59 ARG CA C 59 60.699 59.671 1.028 1
1 655 . 9 1 1 A 59 59 ARG CB C 59 31.905 29.880 2.025 1
1 658 . 9 1 1 A 59 59 ARG N N 59 118.847 119.441 -0.594 1
1 659 . 9 1 1 A 60 60 ALA H H 60 7.459 7.794 -0.335 1
1 660 . 9 1 1 A 60 60 ALA HA H 60 4.225 4.105 0.120 1
1 664 . 9 1 1 A 60 60 ALA C C 60 179.680 179.625 0.055 1
1 665 . 9 1 1 A 60 60 ALA CA C 60 55.051 55.056 -0.005 1
1 666 . 9 1 1 A 60 60 ALA CB C 60 17.817 18.705 -0.888 1
1 667 . 9 1 1 A 60 60 ALA N N 60 121.387 121.650 -0.263 1
1 668 . 9 1 1 A 61 61 LYS H H 61 7.452 8.123 -0.671 1
1 669 . 9 1 1 A 61 61 LYS HA H 61 4.042 4.115 -0.073 1
1 676 . 9 1 1 A 61 61 LYS C C 61 178.078 178.576 -0.498 1
1 677 . 9 1 1 A 61 61 LYS CA C 61 58.472 59.084 -0.612 1
1 678 . 9 1 1 A 61 61 LYS CB C 61 32.734 32.529 0.205 1
1 682 . 9 1 1 A 61 61 LYS N N 61 118.087 117.654 0.433 1
1 683 . 9 1 1 A 62 62 TRP H H 62 8.008 8.066 -0.058 1
1 684 . 9 1 1 A 62 62 TRP HA H 62 4.632 4.236 0.396 1
1 693 . 9 1 1 A 62 62 TRP C C 62 177.471 178.482 -1.011 1
1 694 . 9 1 1 A 62 62 TRP CA C 62 59.120 60.627 -1.507 1
1 695 . 9 1 1 A 62 62 TRP CB C 62 29.366 29.732 -0.366 1
1 701 . 9 1 1 A 62 62 TRP N N 62 121.749 122.181 -0.432 1
1 703 . 9 1 1 A 63 63 ARG H H 63 8.286 8.773 -0.487 1
1 704 . 9 1 1 A 63 63 ARG HA H 63 3.736 3.366 0.370 1
1 711 . 9 1 1 A 63 63 ARG C C 63 176.888 178.371 -1.483 1
1 712 . 9 1 1 A 63 63 ARG CA C 63 57.385 58.852 -1.467 1
1 713 . 9 1 1 A 63 63 ARG CB C 63 30.726 29.990 0.736 1
1 716 . 9 1 1 A 63 63 ARG N N 63 119.622 118.676 0.946 1
1 717 . 9 1 1 A 64 64 ARG H H 64 7.670 7.777 -0.107 1
1 718 . 9 1 1 A 64 64 ARG HA H 64 4.196 4.077 0.119 1
1 723 . 9 1 1 A 64 64 ARG C C 64 176.645 177.434 -0.789 1
1 724 . 9 1 1 A 64 64 ARG CA C 64 56.956 59.092 -2.136 1
1 725 . 9 1 1 A 64 64 ARG CB C 64 30.369 29.769 0.600 1
1 728 . 9 1 1 A 64 64 ARG N N 64 119.096 120.113 -1.017 1
1 729 . 9 1 1 A 65 65 SER H H 65 7.962 7.526 0.436 1
1 730 . 9 1 1 A 65 65 SER HA H 65 4.474 4.245 0.229 1
1 733 . 9 1 1 A 65 65 SER C C 65 174.435 174.164 0.271 1
1 734 . 9 1 1 A 65 65 SER CA C 65 58.837 58.706 0.131 1
1 735 . 9 1 1 A 65 65 SER CB C 65 63.947 63.339 0.608 1
1 736 . 9 1 1 A 65 65 SER N N 65 115.352 115.164 0.188 1
1 737 . 9 1 1 A 66 66 GLY H H 66 8.031 8.352 -0.321 1
1 738 . 9 1 1 A 66 66 GLY HA2 H 66 4.068 4.074 -0.006 1
1 739 . 9 1 1 A 66 66 GLY C C 66 171.813 174.430 -2.617 1
1 740 . 9 1 1 A 66 66 GLY CA C 66 44.800 44.449 0.351 1
1 741 . 9 1 1 A 66 66 GLY N N 66 110.503 113.352 -2.849 1
1 742 . 9 1 1 A 67 67 PRO HA H 67 4.456 4.498 -0.042 1
1 747 . 9 1 1 A 67 67 PRO CA C 67 63.352 63.770 -0.418 1
1 748 . 9 1 1 A 67 67 PRO CB C 67 32.167 31.802 0.365 1
1 751 . 9 1 1 A 68 68 SER HA H 68 4.457 4.494 -0.037 1
1 754 . 9 1 1 A 68 68 SER C C 68 174.654 173.621 1.033 1
1 755 . 9 1 1 A 68 68 SER CA C 68 58.612 58.330 0.282 1
1 756 . 9 1 1 A 68 68 SER CB C 68 63.845 63.194 0.651 1
1 757 . 9 1 1 A 69 69 SER HA H 69 4.491 4.290 0.201 1
1 760 . 9 1 1 A 69 69 SER C C 69 173.925 174.937 -1.012 1
1 761 . 9 1 1 A 69 69 SER CA C 69 58.423 59.632 -1.209 1
1 762 . 9 1 1 A 69 69 SER CB C 69 63.969 63.110 0.859 1
1 1 . 10 1 1 A 10 10 HIS HA H 10 4.605 4.760 -0.155 1
1 5 . 10 1 1 A 10 10 HIS CA C 10 56.397 54.474 1.923 1
1 6 . 10 1 1 A 10 10 HIS CB C 10 29.857 32.054 -2.197 1
1 8 . 10 1 1 A 12 12 THR HA H 12 4.305 4.079 0.226 1
1 13 . 10 1 1 A 12 12 THR C C 12 173.925 176.049 -2.124 1
1 14 . 10 1 1 A 12 12 THR CA C 12 62.068 65.728 -3.660 1
1 15 . 10 1 1 A 12 12 THR CB C 12 69.817 69.413 0.404 1
1 17 . 10 1 1 A 13 13 ILE H H 13 8.188 7.874 0.314 1
1 18 . 10 1 1 A 13 13 ILE HA H 13 4.139 3.812 0.327 1
1 28 . 10 1 1 A 13 13 ILE C C 13 175.795 175.809 -0.014 1
1 29 . 10 1 1 A 13 13 ILE CA C 13 61.202 63.580 -2.378 1
1 30 . 10 1 1 A 13 13 ILE CB C 13 38.686 37.104 1.582 1
1 34 . 10 1 1 A 13 13 ILE N N 13 123.673 117.267 6.406 1
1 35 . 10 1 1 A 14 14 PHE H H 14 8.178 7.655 0.523 1
1 36 . 10 1 1 A 14 14 PHE HA H 14 4.977 5.628 -0.651 1
1 44 . 10 1 1 A 14 14 PHE C C 14 176.475 175.536 0.939 1
1 45 . 10 1 1 A 14 14 PHE CA C 14 57.025 56.389 0.636 1
1 46 . 10 1 1 A 14 14 PHE CB C 14 41.482 43.141 -1.659 1
1 52 . 10 1 1 A 14 14 PHE N N 14 122.586 120.956 1.630 1
1 53 . 10 1 1 A 15 15 THR H H 15 8.792 8.792 0.000 1
1 54 . 10 1 1 A 15 15 THR HA H 15 4.462 4.726 -0.264 1
1 59 . 10 1 1 A 15 15 THR C C 15 175.261 175.850 -0.589 1
1 60 . 10 1 1 A 15 15 THR CA C 15 60.623 60.337 0.286 1
1 61 . 10 1 1 A 15 15 THR CB C 15 70.645 71.557 -0.912 1
1 63 . 10 1 1 A 15 15 THR N N 15 113.201 114.701 -1.500 1
1 64 . 10 1 1 A 16 16 ASP H H 16 9.018 8.997 0.021 1
1 65 . 10 1 1 A 16 16 ASP HA H 16 4.371 4.275 0.096 1
1 68 . 10 1 1 A 16 16 ASP C C 16 178.806 178.406 0.400 1
1 69 . 10 1 1 A 16 16 ASP CA C 16 58.163 58.083 0.080 1
1 70 . 10 1 1 A 16 16 ASP CB C 16 39.689 40.299 -0.610 1
1 71 . 10 1 1 A 16 16 ASP N N 16 121.802 121.926 -0.124 1
1 72 . 10 1 1 A 17 17 GLU H H 17 8.785 8.250 0.535 1
1 73 . 10 1 1 A 17 17 GLU HA H 17 4.054 3.926 0.128 1
1 78 . 10 1 1 A 17 17 GLU C C 17 180.044 179.095 0.949 1
1 79 . 10 1 1 A 17 17 GLU CA C 17 59.706 59.797 -0.091 1
1 80 . 10 1 1 A 17 17 GLU CB C 17 29.520 29.183 0.337 1
1 82 . 10 1 1 A 17 17 GLU N N 17 119.474 120.532 -1.058 1
1 83 . 10 1 1 A 18 18 GLN H H 18 7.700 7.755 -0.055 1
1 84 . 10 1 1 A 18 18 GLN HA H 18 3.665 3.704 -0.039 1
1 91 . 10 1 1 A 18 18 GLN C C 18 177.009 178.832 -1.823 1
1 92 . 10 1 1 A 18 18 GLN CA C 18 59.354 59.087 0.267 1
1 93 . 10 1 1 A 18 18 GLN CB C 18 27.377 28.018 -0.641 1
1 95 . 10 1 1 A 18 18 GLN N N 18 119.784 118.651 1.133 1
1 97 . 10 1 1 A 19 19 LEU H H 19 8.383 8.286 0.097 1
1 98 . 10 1 1 A 19 19 LEU HA H 19 3.585 3.670 -0.085 1
1 108 . 10 1 1 A 19 19 LEU C C 19 178.830 178.712 0.118 1
1 109 . 10 1 1 A 19 19 LEU CA C 19 57.908 57.540 0.368 1
1 110 . 10 1 1 A 19 19 LEU CB C 19 41.703 41.240 0.463 1
1 114 . 10 1 1 A 19 19 LEU N N 19 117.889 119.442 -1.553 1
1 115 . 10 1 1 A 20 20 GLU H H 20 8.119 8.719 -0.600 1
1 116 . 10 1 1 A 20 20 GLU HA H 20 3.897 3.887 0.010 1
1 121 . 10 1 1 A 20 20 GLU C C 20 178.126 178.567 -0.441 1
1 122 . 10 1 1 A 20 20 GLU CA C 20 59.248 59.507 -0.259 1
1 123 . 10 1 1 A 20 20 GLU CB C 20 29.697 29.450 0.247 1
1 125 . 10 1 1 A 20 20 GLU N N 20 118.697 120.621 -1.924 1
1 126 . 10 1 1 A 21 21 ALA H H 21 7.309 7.578 -0.269 1
1 127 . 10 1 1 A 21 21 ALA HA H 21 4.057 4.033 0.024 1
1 131 . 10 1 1 A 21 21 ALA C C 21 180.773 179.781 0.992 1
1 132 . 10 1 1 A 21 21 ALA CA C 21 54.947 55.107 -0.160 1
1 133 . 10 1 1 A 21 21 ALA CB C 21 18.888 18.559 0.329 1
1 134 . 10 1 1 A 21 21 ALA N N 21 120.540 121.212 -0.672 1
1 135 . 10 1 1 A 22 22 LEU H H 22 8.070 7.881 0.189 1
1 136 . 10 1 1 A 22 22 LEU HA H 22 3.428 3.831 -0.403 1
1 146 . 10 1 1 A 22 22 LEU C C 22 177.131 178.895 -1.764 1
1 147 . 10 1 1 A 22 22 LEU CA C 22 58.408 57.821 0.587 1
1 148 . 10 1 1 A 22 22 LEU CB C 22 38.173 40.654 -2.481 1
1 152 . 10 1 1 A 22 22 LEU N N 22 121.563 117.916 3.647 1
1 153 . 10 1 1 A 23 23 GLU H H 23 7.997 8.000 -0.003 1
1 154 . 10 1 1 A 23 23 GLU HA H 23 4.289 4.054 0.235 1
1 159 . 10 1 1 A 23 23 GLU C C 23 179.510 179.404 0.106 1
1 160 . 10 1 1 A 23 23 GLU CA C 23 58.734 59.858 -1.124 1
1 161 . 10 1 1 A 23 23 GLU CB C 23 28.879 29.486 -0.607 1
1 163 . 10 1 1 A 23 23 GLU N N 23 118.641 117.365 1.276 1
1 164 . 10 1 1 A 24 24 ASN H H 24 8.282 8.435 -0.153 1
1 165 . 10 1 1 A 24 24 ASN HA H 24 4.443 4.530 -0.087 1
1 170 . 10 1 1 A 24 24 ASN C C 24 178.563 177.801 0.762 1
1 171 . 10 1 1 A 24 24 ASN CA C 24 56.145 56.825 -0.680 1
1 172 . 10 1 1 A 24 24 ASN CB C 24 38.055 39.012 -0.957 1
1 173 . 10 1 1 A 24 24 ASN N N 24 117.495 118.300 -0.805 1
1 175 . 10 1 1 A 25 25 LEU H H 25 7.852 8.042 -0.190 1
1 176 . 10 1 1 A 25 25 LEU HA H 25 4.445 4.201 0.244 1
1 186 . 10 1 1 A 25 25 LEU C C 25 177.276 178.417 -1.141 1
1 187 . 10 1 1 A 25 25 LEU CA C 25 57.963 57.822 0.141 1
1 188 . 10 1 1 A 25 25 LEU CB C 25 40.400 41.942 -1.542 1
1 192 . 10 1 1 A 25 25 LEU N N 25 121.261 120.894 0.367 1
1 193 . 10 1 1 A 26 26 PHE H H 26 8.711 8.792 -0.081 1
1 194 . 10 1 1 A 26 26 PHE HA H 26 4.628 4.382 0.246 1
1 202 . 10 1 1 A 26 26 PHE C C 26 176.232 177.633 -1.401 1
1 203 . 10 1 1 A 26 26 PHE CA C 26 61.011 61.432 -0.421 1
1 204 . 10 1 1 A 26 26 PHE CB C 26 38.906 39.093 -0.187 1
1 210 . 10 1 1 A 26 26 PHE N N 26 120.816 119.522 1.294 1
1 211 . 10 1 1 A 27 27 GLN H H 27 8.007 8.614 -0.607 1
1 212 . 10 1 1 A 27 27 GLN HA H 27 3.665 4.023 -0.358 1
1 219 . 10 1 1 A 27 27 GLN C C 27 177.106 178.215 -1.109 1
1 220 . 10 1 1 A 27 27 GLN CA C 27 57.892 59.325 -1.433 1
1 221 . 10 1 1 A 27 27 GLN CB C 27 28.195 28.525 -0.330 1
1 223 . 10 1 1 A 27 27 GLN N N 27 114.037 118.124 -4.087 1
1 225 . 10 1 1 A 28 28 GLU H H 28 7.467 8.200 -0.733 1
1 226 . 10 1 1 A 28 28 GLU HA H 28 4.190 4.181 0.009 1
1 231 . 10 1 1 A 28 28 GLU C C 28 177.106 176.198 0.908 1
1 232 . 10 1 1 A 28 28 GLU CA C 28 58.138 59.100 -0.962 1
1 233 . 10 1 1 A 28 28 GLU CB C 28 30.756 29.062 1.694 1
1 235 . 10 1 1 A 28 28 GLU N N 28 119.193 118.033 1.160 1
1 236 . 10 1 1 A 29 29 THR H H 29 8.971 7.961 1.010 1
1 237 . 10 1 1 A 29 29 THR HA H 29 4.321 4.632 -0.311 1
1 242 . 10 1 1 A 29 29 THR C C 29 170.526 173.874 -3.348 1
1 243 . 10 1 1 A 29 29 THR CA C 29 59.885 60.072 -0.187 1
1 244 . 10 1 1 A 29 29 THR CB C 29 69.656 71.040 -1.384 1
1 246 . 10 1 1 A 29 29 THR N N 29 116.904 113.391 3.513 1
1 247 . 10 1 1 A 30 30 LYS H H 30 7.942 8.399 -0.457 1
1 248 . 10 1 1 A 30 30 LYS HA H 30 3.765 3.259 0.506 1
1 257 . 10 1 1 A 30 30 LYS C C 30 175.844 176.007 -0.163 1
1 258 . 10 1 1 A 30 30 LYS CA C 30 56.583 57.822 -1.239 1
1 259 . 10 1 1 A 30 30 LYS CB C 30 32.421 32.420 0.001 1
1 263 . 10 1 1 A 30 30 LYS N N 30 123.132 126.566 -3.434 1
1 264 . 10 1 1 A 31 31 TYR H H 31 7.788 7.840 -0.052 1
1 265 . 10 1 1 A 31 31 TYR HA H 31 4.608 4.982 -0.374 1
1 272 . 10 1 1 A 31 31 TYR C C 31 172.687 173.286 -0.599 1
1 273 . 10 1 1 A 31 31 TYR CA C 31 54.864 54.516 0.348 1
1 274 . 10 1 1 A 31 31 TYR CB C 31 38.777 38.972 -0.195 1
1 279 . 10 1 1 A 31 31 TYR N N 31 113.626 116.802 -3.176 1
1 280 . 10 1 1 A 32 32 PRO HA H 32 4.399 4.607 -0.208 1
1 287 . 10 1 1 A 32 32 PRO C C 32 177.203 175.753 1.450 1
1 288 . 10 1 1 A 32 32 PRO CA C 32 62.668 62.237 0.431 1
1 289 . 10 1 1 A 32 32 PRO CB C 32 31.394 32.846 -1.452 1
1 292 . 10 1 1 A 33 33 ASP H H 33 8.548 8.300 0.248 1
1 293 . 10 1 1 A 33 33 ASP HA H 33 4.473 4.918 -0.445 1
1 296 . 10 1 1 A 33 33 ASP C C 33 175.989 176.762 -0.773 1
1 297 . 10 1 1 A 33 33 ASP CA C 33 52.775 52.388 0.387 1
1 298 . 10 1 1 A 33 33 ASP CB C 33 41.295 43.694 -2.399 1
1 299 . 10 1 1 A 33 33 ASP N N 33 123.152 119.171 3.981 1
1 300 . 10 1 1 A 34 34 VAL H H 34 8.493 8.553 -0.060 1
1 301 . 10 1 1 A 34 34 VAL HA H 34 3.522 3.798 -0.276 1
1 309 . 10 1 1 A 34 34 VAL C C 34 177.203 177.857 -0.654 1
1 310 . 10 1 1 A 34 34 VAL CA C 34 66.618 65.845 0.773 1
1 311 . 10 1 1 A 34 34 VAL CB C 34 31.697 31.613 0.084 1
1 314 . 10 1 1 A 34 34 VAL N N 34 119.474 120.710 -1.236 1
1 315 . 10 1 1 A 35 35 GLY H H 35 8.389 8.206 0.183 1
1 316 . 10 1 1 A 35 35 GLY HA2 H 35 3.901 3.654 0.247 1
1 317 . 10 1 1 A 35 35 GLY HA3 H 35 3.901 3.655 0.246 1
1 318 . 10 1 1 A 35 35 GLY C C 35 176.985 175.785 1.200 1
1 319 . 10 1 1 A 35 35 GLY CA C 35 46.976 47.511 -0.535 1
1 320 . 10 1 1 A 35 35 GLY N N 35 109.478 108.749 0.729 1
1 321 . 10 1 1 A 36 36 THR H H 36 8.142 8.109 0.033 1
1 322 . 10 1 1 A 36 36 THR HA H 36 3.918 4.026 -0.108 1
1 327 . 10 1 1 A 36 36 THR C C 36 177.616 177.000 0.616 1
1 328 . 10 1 1 A 36 36 THR CA C 36 66.957 66.167 0.790 1
1 329 . 10 1 1 A 36 36 THR CB C 36 67.887 68.462 -0.575 1
1 331 . 10 1 1 A 36 36 THR N N 36 121.210 117.814 3.396 1
1 332 . 10 1 1 A 37 37 ARG H H 37 8.396 8.126 0.270 1
1 333 . 10 1 1 A 37 37 ARG HA H 37 3.712 3.910 -0.198 1
1 341 . 10 1 1 A 37 37 ARG C C 37 177.980 179.262 -1.282 1
1 342 . 10 1 1 A 37 37 ARG CA C 37 61.187 59.637 1.550 1
1 343 . 10 1 1 A 37 37 ARG CB C 37 31.250 29.814 1.436 1
1 346 . 10 1 1 A 37 37 ARG N N 37 121.196 121.050 0.146 1
1 348 . 10 1 1 A 38 38 GLU H H 38 8.843 7.976 0.867 1
1 349 . 10 1 1 A 38 38 GLU HA H 38 3.905 4.029 -0.124 1
1 354 . 10 1 1 A 38 38 GLU C C 38 178.636 179.274 -0.638 1
1 355 . 10 1 1 A 38 38 GLU CA C 38 59.797 59.004 0.793 1
1 356 . 10 1 1 A 38 38 GLU CB C 38 29.529 29.064 0.465 1
1 358 . 10 1 1 A 38 38 GLU N N 38 119.875 119.241 0.634 1
1 359 . 10 1 1 A 39 39 GLN H H 39 7.939 7.516 0.423 1
1 360 . 10 1 1 A 39 39 GLN HA H 39 3.977 3.999 -0.022 1
1 367 . 10 1 1 A 39 39 GLN C C 39 178.782 177.940 0.842 1
1 368 . 10 1 1 A 39 39 GLN CA C 39 59.078 58.756 0.322 1
1 369 . 10 1 1 A 39 39 GLN CB C 39 28.426 28.506 -0.080 1
1 371 . 10 1 1 A 39 39 GLN N N 39 118.456 118.923 -0.467 1
1 373 . 10 1 1 A 40 40 LEU H H 40 7.515 8.315 -0.800 1
1 374 . 10 1 1 A 40 40 LEU HA H 40 4.129 4.048 0.081 1
1 384 . 10 1 1 A 40 40 LEU C C 40 178.150 178.047 0.103 1
1 385 . 10 1 1 A 40 40 LEU CA C 40 58.273 58.165 0.108 1
1 386 . 10 1 1 A 40 40 LEU CB C 40 41.194 41.458 -0.264 1
1 390 . 10 1 1 A 40 40 LEU N N 40 121.414 122.236 -0.822 1
1 391 . 10 1 1 A 41 41 ALA H H 41 8.577 8.774 -0.197 1
1 392 . 10 1 1 A 41 41 ALA HA H 41 3.650 4.001 -0.351 1
1 396 . 10 1 1 A 41 41 ALA C C 41 179.559 180.281 -0.722 1
1 397 . 10 1 1 A 41 41 ALA CA C 41 55.925 55.451 0.474 1
1 398 . 10 1 1 A 41 41 ALA CB C 41 17.487 18.578 -1.091 1
1 399 . 10 1 1 A 41 41 ALA N N 41 121.362 121.094 0.268 1
1 400 . 10 1 1 A 42 42 ARG H H 42 7.986 7.758 0.228 1
1 401 . 10 1 1 A 42 42 ARG HA H 42 4.083 4.022 0.061 1
1 408 . 10 1 1 A 42 42 ARG C C 42 179.000 178.634 0.366 1
1 409 . 10 1 1 A 42 42 ARG CA C 42 58.578 59.681 -1.103 1
1 410 . 10 1 1 A 42 42 ARG CB C 42 30.495 29.982 0.513 1
1 413 . 10 1 1 A 42 42 ARG N N 42 114.579 117.578 -2.999 1
1 414 . 10 1 1 A 43 43 LYS H H 43 7.706 7.783 -0.077 1
1 415 . 10 1 1 A 43 43 LYS HA H 43 4.023 3.954 0.069 1
1 424 . 10 1 1 A 43 43 LYS C C 43 178.248 178.290 -0.042 1
1 425 . 10 1 1 A 43 43 LYS CA C 43 59.177 58.809 0.368 1
1 426 . 10 1 1 A 43 43 LYS CB C 43 33.134 32.318 0.816 1
1 430 . 10 1 1 A 43 43 LYS N N 43 119.896 120.451 -0.555 1
1 431 . 10 1 1 A 44 44 VAL H H 44 7.681 7.629 0.052 1
1 432 . 10 1 1 A 44 44 VAL HA H 44 4.522 4.184 0.338 1
1 440 . 10 1 1 A 44 44 VAL C C 44 174.654 174.879 -0.225 1
1 441 . 10 1 1 A 44 44 VAL CA C 44 59.912 61.379 -1.467 1
1 442 . 10 1 1 A 44 44 VAL CB C 44 30.979 31.535 -0.556 1
1 445 . 10 1 1 A 44 44 VAL N N 44 105.042 110.398 -5.356 1
1 446 . 10 1 1 A 45 45 HIS H H 45 7.398 7.632 -0.234 1
1 447 . 10 1 1 A 45 45 HIS HA H 45 4.293 4.159 0.134 1
1 451 . 10 1 1 A 45 45 HIS C C 45 174.144 173.927 0.217 1
1 452 . 10 1 1 A 45 45 HIS CA C 45 56.956 56.654 0.302 1
1 453 . 10 1 1 A 45 45 HIS CB C 45 26.353 26.609 -0.256 1
1 455 . 10 1 1 A 45 45 HIS N N 45 117.892 116.075 1.817 1
1 456 . 10 1 1 A 46 46 LEU H H 46 8.571 7.870 0.701 1
1 457 . 10 1 1 A 46 46 LEU HA H 46 4.855 4.899 -0.044 1
1 467 . 10 1 1 A 46 46 LEU C C 46 176.256 175.206 1.050 1
1 468 . 10 1 1 A 46 46 LEU CA C 46 52.689 53.405 -0.716 1
1 469 . 10 1 1 A 46 46 LEU CB C 46 47.746 45.662 2.084 1
1 473 . 10 1 1 A 46 46 LEU N N 46 119.288 118.640 0.648 1
1 474 . 10 1 1 A 47 47 ARG H H 47 7.979 8.770 -0.791 1
1 475 . 10 1 1 A 47 47 ARG HA H 47 4.439 4.472 -0.033 1
1 482 . 10 1 1 A 47 47 ARG C C 47 178.830 177.531 1.299 1
1 483 . 10 1 1 A 47 47 ARG CA C 47 55.871 55.151 0.720 1
1 484 . 10 1 1 A 47 47 ARG CB C 47 30.838 31.887 -1.049 1
1 487 . 10 1 1 A 47 47 ARG N N 47 119.085 120.433 -1.348 1
1 488 . 10 1 1 A 48 48 GLU H H 48 9.642 8.758 0.884 1
1 489 . 10 1 1 A 48 48 GLU HA H 48 3.644 3.922 -0.278 1
1 494 . 10 1 1 A 48 48 GLU C C 48 178.515 178.222 0.293 1
1 495 . 10 1 1 A 48 48 GLU CA C 48 61.612 59.523 2.089 1
1 496 . 10 1 1 A 48 48 GLU CB C 48 28.860 29.290 -0.430 1
1 498 . 10 1 1 A 48 48 GLU N N 48 125.963 122.869 3.094 1
1 499 . 10 1 1 A 49 49 GLU H H 49 9.638 8.329 1.309 1
1 500 . 10 1 1 A 49 49 GLU HA H 49 4.239 4.060 0.179 1
1 505 . 10 1 1 A 49 49 GLU C C 49 178.927 179.150 -0.223 1
1 506 . 10 1 1 A 49 49 GLU CA C 49 59.681 59.387 0.294 1
1 507 . 10 1 1 A 49 49 GLU CB C 49 28.531 29.354 -0.823 1
1 509 . 10 1 1 A 49 49 GLU N N 49 118.929 118.462 0.467 1
1 510 . 10 1 1 A 50 50 LYS H H 50 7.398 7.794 -0.396 1
1 511 . 10 1 1 A 50 50 LYS HA H 50 4.318 4.109 0.209 1
1 520 . 10 1 1 A 50 50 LYS C C 50 179.486 179.259 0.227 1
1 521 . 10 1 1 A 50 50 LYS CA C 50 58.084 59.366 -1.282 1
1 522 . 10 1 1 A 50 50 LYS CB C 50 32.487 32.637 -0.150 1
1 526 . 10 1 1 A 50 50 LYS N N 50 117.569 120.104 -2.535 1
1 527 . 10 1 1 A 51 51 VAL H H 51 7.614 8.076 -0.462 1
1 528 . 10 1 1 A 51 51 VAL HA H 51 3.739 3.530 0.209 1
1 536 . 10 1 1 A 51 51 VAL C C 51 177.641 177.947 -0.306 1
1 537 . 10 1 1 A 51 51 VAL CA C 51 66.900 67.110 -0.210 1
1 538 . 10 1 1 A 51 51 VAL CB C 51 31.876 31.422 0.454 1
1 541 . 10 1 1 A 51 51 VAL N N 51 120.291 120.382 -0.091 1
1 542 . 10 1 1 A 52 52 GLU H H 52 8.274 7.799 0.475 1
1 543 . 10 1 1 A 52 52 GLU HA H 52 4.198 3.900 0.298 1
1 547 . 10 1 1 A 52 52 GLU C C 52 179.073 178.463 0.610 1
1 548 . 10 1 1 A 52 52 GLU CA C 52 60.434 59.403 1.031 1
1 549 . 10 1 1 A 52 52 GLU CB C 52 29.073 29.717 -0.644 1
1 551 . 10 1 1 A 52 52 GLU N N 52 120.105 120.214 -0.109 1
1 552 . 10 1 1 A 53 53 VAL H H 53 7.936 7.886 0.050 1
1 553 . 10 1 1 A 53 53 VAL HA H 53 3.692 3.739 -0.047 1
1 561 . 10 1 1 A 53 53 VAL C C 53 177.592 178.189 -0.597 1
1 562 . 10 1 1 A 53 53 VAL CA C 53 66.935 66.606 0.329 1
1 563 . 10 1 1 A 53 53 VAL CB C 53 32.273 31.816 0.457 1
1 566 . 10 1 1 A 53 53 VAL N N 53 119.238 119.570 -0.332 1
1 567 . 10 1 1 A 54 54 TRP H H 54 8.321 8.174 0.147 1
1 568 . 10 1 1 A 54 54 TRP HA H 54 4.083 4.355 -0.272 1
1 577 . 10 1 1 A 54 54 TRP C C 54 179.802 178.561 1.241 1
1 578 . 10 1 1 A 54 54 TRP CA C 54 63.129 61.546 1.583 1
1 579 . 10 1 1 A 54 54 TRP CB C 54 28.635 29.697 -1.062 1
1 585 . 10 1 1 A 54 54 TRP N N 54 121.382 121.422 -0.040 1
1 587 . 10 1 1 A 55 55 PHE H H 55 8.834 8.354 0.480 1
1 588 . 10 1 1 A 55 55 PHE HA H 55 3.676 4.261 -0.585 1
1 596 . 10 1 1 A 55 55 PHE C C 55 178.150 178.203 -0.053 1
1 597 . 10 1 1 A 55 55 PHE CA C 55 64.096 62.064 2.032 1
1 598 . 10 1 1 A 55 55 PHE CB C 55 39.358 39.115 0.243 1
1 604 . 10 1 1 A 55 55 PHE N N 55 118.755 118.083 0.672 1
1 605 . 10 1 1 A 56 56 LYS H H 56 8.241 8.400 -0.159 1
1 606 . 10 1 1 A 56 56 LYS HA H 56 3.977 3.946 0.031 1
1 612 . 10 1 1 A 56 56 LYS C C 56 180.166 179.488 0.678 1
1 613 . 10 1 1 A 56 56 LYS CA C 56 60.744 59.800 0.944 1
1 614 . 10 1 1 A 56 56 LYS CB C 56 32.322 32.314 0.008 1
1 618 . 10 1 1 A 56 56 LYS N N 56 120.065 118.179 1.886 1
1 619 . 10 1 1 A 57 57 ASN H H 57 8.084 8.287 -0.203 1
1 620 . 10 1 1 A 57 57 ASN HA H 57 4.367 4.431 -0.064 1
1 625 . 10 1 1 A 57 57 ASN C C 57 177.422 177.992 -0.570 1
1 626 . 10 1 1 A 57 57 ASN CA C 57 55.660 56.410 -0.750 1
1 627 . 10 1 1 A 57 57 ASN CB C 57 38.008 37.882 0.126 1
1 628 . 10 1 1 A 57 57 ASN N N 57 118.967 118.336 0.631 1
1 630 . 10 1 1 A 58 58 ARG H H 58 8.575 7.929 0.646 1
1 631 . 10 1 1 A 58 58 ARG HA H 58 3.463 3.522 -0.059 1
1 639 . 10 1 1 A 58 58 ARG C C 58 180.044 178.935 1.109 1
1 640 . 10 1 1 A 58 58 ARG CA C 58 56.568 59.516 -2.948 1
1 641 . 10 1 1 A 58 58 ARG CB C 58 28.155 29.189 -1.034 1
1 644 . 10 1 1 A 58 58 ARG N N 58 124.441 118.930 5.511 1
1 646 . 10 1 1 A 59 59 ARG H H 59 8.490 8.334 0.156 1
1 647 . 10 1 1 A 59 59 ARG HA H 59 4.334 4.192 0.142 1
1 653 . 10 1 1 A 59 59 ARG C C 59 178.223 178.704 -0.481 1
1 654 . 10 1 1 A 59 59 ARG CA C 59 60.699 59.557 1.142 1
1 655 . 10 1 1 A 59 59 ARG CB C 59 31.905 29.900 2.005 1
1 658 . 10 1 1 A 59 59 ARG N N 59 118.847 119.478 -0.631 1
1 659 . 10 1 1 A 60 60 ALA H H 60 7.459 7.926 -0.467 1
1 660 . 10 1 1 A 60 60 ALA HA H 60 4.225 4.152 0.073 1
1 664 . 10 1 1 A 60 60 ALA C C 60 179.680 180.093 -0.413 1
1 665 . 10 1 1 A 60 60 ALA CA C 60 55.051 55.214 -0.163 1
1 666 . 10 1 1 A 60 60 ALA CB C 60 17.817 18.531 -0.714 1
1 667 . 10 1 1 A 60 60 ALA N N 60 121.387 121.600 -0.213 1
1 668 . 10 1 1 A 61 61 LYS H H 61 7.452 8.169 -0.717 1
1 669 . 10 1 1 A 61 61 LYS HA H 61 4.042 4.046 -0.004 1
1 676 . 10 1 1 A 61 61 LYS C C 61 178.078 178.612 -0.534 1
1 677 . 10 1 1 A 61 61 LYS CA C 61 58.472 58.598 -0.126 1
1 678 . 10 1 1 A 61 61 LYS CB C 61 32.734 32.161 0.573 1
1 682 . 10 1 1 A 61 61 LYS N N 61 118.087 116.878 1.209 1
1 683 . 10 1 1 A 62 62 TRP H H 62 8.008 7.883 0.125 1
1 684 . 10 1 1 A 62 62 TRP HA H 62 4.632 4.271 0.361 1
1 693 . 10 1 1 A 62 62 TRP C C 62 177.471 178.161 -0.690 1
1 694 . 10 1 1 A 62 62 TRP CA C 62 59.120 60.740 -1.620 1
1 695 . 10 1 1 A 62 62 TRP CB C 62 29.366 30.014 -0.648 1
1 701 . 10 1 1 A 62 62 TRP N N 62 121.749 121.645 0.104 1
1 703 . 10 1 1 A 63 63 ARG H H 63 8.286 8.680 -0.394 1
1 704 . 10 1 1 A 63 63 ARG HA H 63 3.736 3.473 0.263 1
1 711 . 10 1 1 A 63 63 ARG C C 63 176.888 178.387 -1.499 1
1 712 . 10 1 1 A 63 63 ARG CA C 63 57.385 58.869 -1.484 1
1 713 . 10 1 1 A 63 63 ARG CB C 63 30.726 30.118 0.608 1
1 716 . 10 1 1 A 63 63 ARG N N 63 119.622 119.039 0.583 1
1 717 . 10 1 1 A 64 64 ARG H H 64 7.670 7.876 -0.206 1
1 718 . 10 1 1 A 64 64 ARG HA H 64 4.196 4.078 0.118 1
1 723 . 10 1 1 A 64 64 ARG C C 64 176.645 175.695 0.950 1
1 724 . 10 1 1 A 64 64 ARG CA C 64 56.956 58.596 -1.640 1
1 725 . 10 1 1 A 64 64 ARG CB C 64 30.369 30.974 -0.605 1
1 728 . 10 1 1 A 64 64 ARG N N 64 119.096 120.196 -1.100 1
1 729 . 10 1 1 A 65 65 SER H H 65 7.962 8.036 -0.074 1
1 730 . 10 1 1 A 65 65 SER HA H 65 4.474 4.972 -0.498 1
1 733 . 10 1 1 A 65 65 SER C C 65 174.435 173.091 1.344 1
1 734 . 10 1 1 A 65 65 SER CA C 65 58.837 57.816 1.021 1
1 735 . 10 1 1 A 65 65 SER CB C 65 63.947 66.378 -2.431 1
1 736 . 10 1 1 A 65 65 SER N N 65 115.352 112.157 3.195 1
1 737 . 10 1 1 A 66 66 GLY H H 66 8.031 8.563 -0.532 1
1 738 . 10 1 1 A 66 66 GLY HA2 H 66 4.068 4.096 -0.028 1
1 739 . 10 1 1 A 66 66 GLY C C 66 171.813 171.793 0.020 1
1 740 . 10 1 1 A 66 66 GLY CA C 66 44.800 44.860 -0.060 1
1 741 . 10 1 1 A 66 66 GLY N N 66 110.503 111.347 -0.844 1
1 742 . 10 1 1 A 67 67 PRO HA H 67 4.456 4.313 0.143 1
1 747 . 10 1 1 A 67 67 PRO CA C 67 63.352 63.459 -0.107 1
1 748 . 10 1 1 A 67 67 PRO CB C 67 32.167 31.451 0.716 1
1 751 . 10 1 1 A 68 68 SER HA H 68 4.457 4.198 0.259 1
1 754 . 10 1 1 A 68 68 SER C C 68 174.654 174.516 0.138 1
1 755 . 10 1 1 A 68 68 SER CA C 68 58.612 59.013 -0.401 1
1 756 . 10 1 1 A 68 68 SER CB C 68 63.845 60.829 3.016 1
1 757 . 10 1 1 A 69 69 SER HA H 69 4.491 4.138 0.353 1
1 760 . 10 1 1 A 69 69 SER C C 69 173.925 174.148 -0.223 1
1 761 . 10 1 1 A 69 69 SER CA C 69 58.423 59.084 -0.661 1
1 762 . 10 1 1 A 69 69 SER CB C 69 63.969 62.080 1.889 1
1 1 . 11 1 1 A 10 10 HIS HA H 10 4.605 4.609 -0.004 1
1 5 . 11 1 1 A 10 10 HIS CA C 10 56.397 55.206 1.191 1
1 6 . 11 1 1 A 10 10 HIS CB C 10 29.857 30.897 -1.040 1
1 8 . 11 1 1 A 12 12 THR HA H 12 4.305 4.250 0.055 1
1 13 . 11 1 1 A 12 12 THR C C 12 173.925 174.441 -0.516 1
1 14 . 11 1 1 A 12 12 THR CA C 12 62.068 63.347 -1.279 1
1 15 . 11 1 1 A 12 12 THR CB C 12 69.817 69.936 -0.119 1
1 17 . 11 1 1 A 13 13 ILE H H 13 8.188 8.295 -0.107 1
1 18 . 11 1 1 A 13 13 ILE HA H 13 4.139 4.395 -0.256 1
1 28 . 11 1 1 A 13 13 ILE C C 13 175.795 176.333 -0.538 1
1 29 . 11 1 1 A 13 13 ILE CA C 13 61.202 61.241 -0.039 1
1 30 . 11 1 1 A 13 13 ILE CB C 13 38.686 39.347 -0.661 1
1 34 . 11 1 1 A 13 13 ILE N N 13 123.673 127.977 -4.304 1
1 35 . 11 1 1 A 14 14 PHE H H 14 8.178 9.016 -0.838 1
1 36 . 11 1 1 A 14 14 PHE HA H 14 4.977 4.816 0.161 1
1 44 . 11 1 1 A 14 14 PHE C C 14 176.475 176.106 0.369 1
1 45 . 11 1 1 A 14 14 PHE CA C 14 57.025 57.974 -0.949 1
1 46 . 11 1 1 A 14 14 PHE CB C 14 41.482 39.657 1.825 1
1 52 . 11 1 1 A 14 14 PHE N N 14 122.586 127.013 -4.427 1
1 53 . 11 1 1 A 15 15 THR H H 15 8.792 8.209 0.583 1
1 54 . 11 1 1 A 15 15 THR HA H 15 4.462 4.610 -0.148 1
1 59 . 11 1 1 A 15 15 THR C C 15 175.261 175.379 -0.118 1
1 60 . 11 1 1 A 15 15 THR CA C 15 60.623 60.672 -0.049 1
1 61 . 11 1 1 A 15 15 THR CB C 15 70.645 70.100 0.545 1
1 63 . 11 1 1 A 15 15 THR N N 15 113.201 115.280 -2.079 1
1 64 . 11 1 1 A 16 16 ASP H H 16 9.018 9.204 -0.186 1
1 65 . 11 1 1 A 16 16 ASP HA H 16 4.371 4.328 0.043 1
1 68 . 11 1 1 A 16 16 ASP C C 16 178.806 178.290 0.516 1
1 69 . 11 1 1 A 16 16 ASP CA C 16 58.163 57.047 1.116 1
1 70 . 11 1 1 A 16 16 ASP CB C 16 39.689 40.021 -0.332 1
1 71 . 11 1 1 A 16 16 ASP N N 16 121.802 125.382 -3.580 1
1 72 . 11 1 1 A 17 17 GLU H H 17 8.785 8.258 0.527 1
1 73 . 11 1 1 A 17 17 GLU HA H 17 4.054 3.932 0.122 1
1 78 . 11 1 1 A 17 17 GLU C C 17 180.044 179.223 0.821 1
1 79 . 11 1 1 A 17 17 GLU CA C 17 59.706 59.758 -0.052 1
1 80 . 11 1 1 A 17 17 GLU CB C 17 29.520 28.916 0.604 1
1 82 . 11 1 1 A 17 17 GLU N N 17 119.474 119.404 0.070 1
1 83 . 11 1 1 A 18 18 GLN H H 18 7.700 7.931 -0.231 1
1 84 . 11 1 1 A 18 18 GLN HA H 18 3.665 3.928 -0.263 1
1 91 . 11 1 1 A 18 18 GLN C C 18 177.009 178.649 -1.640 1
1 92 . 11 1 1 A 18 18 GLN CA C 18 59.354 58.799 0.555 1
1 93 . 11 1 1 A 18 18 GLN CB C 18 27.377 28.353 -0.976 1
1 95 . 11 1 1 A 18 18 GLN N N 18 119.784 119.359 0.425 1
1 97 . 11 1 1 A 19 19 LEU H H 19 8.383 8.486 -0.103 1
1 98 . 11 1 1 A 19 19 LEU HA H 19 3.585 3.652 -0.067 1
1 108 . 11 1 1 A 19 19 LEU C C 19 178.830 178.849 -0.019 1
1 109 . 11 1 1 A 19 19 LEU CA C 19 57.908 57.858 0.050 1
1 110 . 11 1 1 A 19 19 LEU CB C 19 41.703 41.601 0.102 1
1 114 . 11 1 1 A 19 19 LEU N N 19 117.889 119.679 -1.790 1
1 115 . 11 1 1 A 20 20 GLU H H 20 8.119 8.727 -0.608 1
1 116 . 11 1 1 A 20 20 GLU HA H 20 3.897 3.948 -0.051 1
1 121 . 11 1 1 A 20 20 GLU C C 20 178.126 178.360 -0.234 1
1 122 . 11 1 1 A 20 20 GLU CA C 20 59.248 59.566 -0.318 1
1 123 . 11 1 1 A 20 20 GLU CB C 20 29.697 29.307 0.390 1
1 125 . 11 1 1 A 20 20 GLU N N 20 118.697 120.828 -2.131 1
1 126 . 11 1 1 A 21 21 ALA H H 21 7.309 7.738 -0.429 1
1 127 . 11 1 1 A 21 21 ALA HA H 21 4.057 4.058 -0.001 1
1 131 . 11 1 1 A 21 21 ALA C C 21 180.773 180.045 0.728 1
1 132 . 11 1 1 A 21 21 ALA CA C 21 54.947 55.056 -0.109 1
1 133 . 11 1 1 A 21 21 ALA CB C 21 18.888 18.143 0.745 1
1 134 . 11 1 1 A 21 21 ALA N N 21 120.540 121.809 -1.269 1
1 135 . 11 1 1 A 22 22 LEU H H 22 8.070 8.080 -0.010 1
1 136 . 11 1 1 A 22 22 LEU HA H 22 3.428 3.664 -0.236 1
1 146 . 11 1 1 A 22 22 LEU C C 22 177.131 178.666 -1.535 1
1 147 . 11 1 1 A 22 22 LEU CA C 22 58.408 57.773 0.635 1
1 148 . 11 1 1 A 22 22 LEU CB C 22 38.173 40.588 -2.415 1
1 152 . 11 1 1 A 22 22 LEU N N 22 121.563 117.888 3.675 1
1 153 . 11 1 1 A 23 23 GLU H H 23 7.997 7.958 0.039 1
1 154 . 11 1 1 A 23 23 GLU HA H 23 4.289 4.025 0.264 1
1 159 . 11 1 1 A 23 23 GLU C C 23 179.510 179.553 -0.043 1
1 160 . 11 1 1 A 23 23 GLU CA C 23 58.734 60.008 -1.274 1
1 161 . 11 1 1 A 23 23 GLU CB C 23 28.879 29.373 -0.494 1
1 163 . 11 1 1 A 23 23 GLU N N 23 118.641 117.480 1.161 1
1 164 . 11 1 1 A 24 24 ASN H H 24 8.282 8.440 -0.158 1
1 165 . 11 1 1 A 24 24 ASN HA H 24 4.443 4.494 -0.051 1
1 170 . 11 1 1 A 24 24 ASN C C 24 178.563 178.111 0.452 1
1 171 . 11 1 1 A 24 24 ASN CA C 24 56.145 56.579 -0.434 1
1 172 . 11 1 1 A 24 24 ASN CB C 24 38.055 38.826 -0.771 1
1 173 . 11 1 1 A 24 24 ASN N N 24 117.495 118.059 -0.564 1
1 175 . 11 1 1 A 25 25 LEU H H 25 7.852 7.718 0.134 1
1 176 . 11 1 1 A 25 25 LEU HA H 25 4.445 4.207 0.238 1
1 186 . 11 1 1 A 25 25 LEU C C 25 177.276 178.323 -1.047 1
1 187 . 11 1 1 A 25 25 LEU CA C 25 57.963 57.729 0.234 1
1 188 . 11 1 1 A 25 25 LEU CB C 25 40.400 41.933 -1.533 1
1 192 . 11 1 1 A 25 25 LEU N N 25 121.261 120.706 0.555 1
1 193 . 11 1 1 A 26 26 PHE H H 26 8.711 8.890 -0.179 1
1 194 . 11 1 1 A 26 26 PHE HA H 26 4.628 4.323 0.305 1
1 202 . 11 1 1 A 26 26 PHE C C 26 176.232 177.781 -1.549 1
1 203 . 11 1 1 A 26 26 PHE CA C 26 61.011 61.085 -0.074 1
1 204 . 11 1 1 A 26 26 PHE CB C 26 38.906 38.875 0.031 1
1 210 . 11 1 1 A 26 26 PHE N N 26 120.816 119.560 1.256 1
1 211 . 11 1 1 A 27 27 GLN H H 27 8.007 8.427 -0.420 1
1 212 . 11 1 1 A 27 27 GLN HA H 27 3.665 3.717 -0.052 1
1 219 . 11 1 1 A 27 27 GLN C C 27 177.106 178.907 -1.801 1
1 220 . 11 1 1 A 27 27 GLN CA C 27 57.892 59.474 -1.582 1
1 221 . 11 1 1 A 27 27 GLN CB C 27 28.195 28.638 -0.443 1
1 223 . 11 1 1 A 27 27 GLN N N 27 114.037 117.824 -3.787 1
1 225 . 11 1 1 A 28 28 GLU H H 28 7.467 8.163 -0.696 1
1 226 . 11 1 1 A 28 28 GLU HA H 28 4.190 4.157 0.033 1
1 231 . 11 1 1 A 28 28 GLU C C 28 177.106 176.107 0.999 1
1 232 . 11 1 1 A 28 28 GLU CA C 28 58.138 58.842 -0.704 1
1 233 . 11 1 1 A 28 28 GLU CB C 28 30.756 29.017 1.739 1
1 235 . 11 1 1 A 28 28 GLU N N 28 119.193 117.275 1.918 1
1 236 . 11 1 1 A 29 29 THR H H 29 8.971 7.971 1.000 1
1 237 . 11 1 1 A 29 29 THR HA H 29 4.321 4.701 -0.380 1
1 242 . 11 1 1 A 29 29 THR C C 29 170.526 173.178 -2.652 1
1 243 . 11 1 1 A 29 29 THR CA C 29 59.885 60.109 -0.224 1
1 244 . 11 1 1 A 29 29 THR CB C 29 69.656 70.859 -1.203 1
1 246 . 11 1 1 A 29 29 THR N N 29 116.904 113.387 3.517 1
1 247 . 11 1 1 A 30 30 LYS H H 30 7.942 8.629 -0.687 1
1 248 . 11 1 1 A 30 30 LYS HA H 30 3.765 3.847 -0.082 1
1 257 . 11 1 1 A 30 30 LYS C C 30 175.844 176.108 -0.264 1
1 258 . 11 1 1 A 30 30 LYS CA C 30 56.583 57.230 -0.647 1
1 259 . 11 1 1 A 30 30 LYS CB C 30 32.421 32.730 -0.309 1
1 263 . 11 1 1 A 30 30 LYS N N 30 123.132 125.073 -1.941 1
1 264 . 11 1 1 A 31 31 TYR H H 31 7.788 7.863 -0.075 1
1 265 . 11 1 1 A 31 31 TYR HA H 31 4.608 5.076 -0.468 1
1 272 . 11 1 1 A 31 31 TYR C C 31 172.687 173.240 -0.553 1
1 273 . 11 1 1 A 31 31 TYR CA C 31 54.864 54.737 0.127 1
1 274 . 11 1 1 A 31 31 TYR CB C 31 38.777 39.224 -0.447 1
1 279 . 11 1 1 A 31 31 TYR N N 31 113.626 117.028 -3.402 1
1 280 . 11 1 1 A 32 32 PRO HA H 32 4.399 4.616 -0.217 1
1 287 . 11 1 1 A 32 32 PRO C C 32 177.203 176.164 1.039 1
1 288 . 11 1 1 A 32 32 PRO CA C 32 62.668 62.451 0.217 1
1 289 . 11 1 1 A 32 32 PRO CB C 32 31.394 32.676 -1.282 1
1 292 . 11 1 1 A 33 33 ASP H H 33 8.548 8.399 0.149 1
1 293 . 11 1 1 A 33 33 ASP HA H 33 4.473 4.861 -0.388 1
1 296 . 11 1 1 A 33 33 ASP C C 33 175.989 176.545 -0.556 1
1 297 . 11 1 1 A 33 33 ASP CA C 33 52.775 52.501 0.274 1
1 298 . 11 1 1 A 33 33 ASP CB C 33 41.295 41.990 -0.695 1
1 299 . 11 1 1 A 33 33 ASP N N 33 123.152 121.007 2.145 1
1 300 . 11 1 1 A 34 34 VAL H H 34 8.493 8.537 -0.044 1
1 301 . 11 1 1 A 34 34 VAL HA H 34 3.522 3.791 -0.269 1
1 309 . 11 1 1 A 34 34 VAL C C 34 177.203 177.995 -0.792 1
1 310 . 11 1 1 A 34 34 VAL CA C 34 66.618 65.802 0.816 1
1 311 . 11 1 1 A 34 34 VAL CB C 34 31.697 31.645 0.052 1
1 314 . 11 1 1 A 34 34 VAL N N 34 119.474 120.700 -1.226 1
1 315 . 11 1 1 A 35 35 GLY H H 35 8.389 8.136 0.253 1
1 316 . 11 1 1 A 35 35 GLY HA2 H 35 3.901 3.772 0.129 1
1 317 . 11 1 1 A 35 35 GLY HA3 H 35 3.901 3.773 0.128 1
1 318 . 11 1 1 A 35 35 GLY C C 35 176.985 176.577 0.408 1
1 319 . 11 1 1 A 35 35 GLY CA C 35 46.976 47.548 -0.572 1
1 320 . 11 1 1 A 35 35 GLY N N 35 109.478 108.804 0.674 1
1 321 . 11 1 1 A 36 36 THR H H 36 8.142 7.905 0.237 1
1 322 . 11 1 1 A 36 36 THR HA H 36 3.918 4.044 -0.126 1
1 327 . 11 1 1 A 36 36 THR C C 36 177.616 176.663 0.953 1
1 328 . 11 1 1 A 36 36 THR CA C 36 66.957 66.116 0.841 1
1 329 . 11 1 1 A 36 36 THR CB C 36 67.887 68.429 -0.542 1
1 331 . 11 1 1 A 36 36 THR N N 36 121.210 117.706 3.504 1
1 332 . 11 1 1 A 37 37 ARG H H 37 8.396 8.443 -0.047 1
1 333 . 11 1 1 A 37 37 ARG HA H 37 3.712 3.934 -0.222 1
1 341 . 11 1 1 A 37 37 ARG C C 37 177.980 179.162 -1.182 1
1 342 . 11 1 1 A 37 37 ARG CA C 37 61.187 59.680 1.507 1
1 343 . 11 1 1 A 37 37 ARG CB C 37 31.250 30.003 1.247 1
1 346 . 11 1 1 A 37 37 ARG N N 37 121.196 119.850 1.346 1
1 348 . 11 1 1 A 38 38 GLU H H 38 8.843 8.393 0.450 1
1 349 . 11 1 1 A 38 38 GLU HA H 38 3.905 4.076 -0.171 1
1 354 . 11 1 1 A 38 38 GLU C C 38 178.636 179.127 -0.491 1
1 355 . 11 1 1 A 38 38 GLU CA C 38 59.797 58.975 0.822 1
1 356 . 11 1 1 A 38 38 GLU CB C 38 29.529 29.119 0.410 1
1 358 . 11 1 1 A 38 38 GLU N N 38 119.875 119.596 0.279 1
1 359 . 11 1 1 A 39 39 GLN H H 39 7.939 7.499 0.440 1
1 360 . 11 1 1 A 39 39 GLN HA H 39 3.977 4.040 -0.063 1
1 367 . 11 1 1 A 39 39 GLN C C 39 178.782 177.878 0.904 1
1 368 . 11 1 1 A 39 39 GLN CA C 39 59.078 58.940 0.138 1
1 369 . 11 1 1 A 39 39 GLN CB C 39 28.426 28.374 0.052 1
1 371 . 11 1 1 A 39 39 GLN N N 39 118.456 119.033 -0.577 1
1 373 . 11 1 1 A 40 40 LEU H H 40 7.515 8.403 -0.888 1
1 374 . 11 1 1 A 40 40 LEU HA H 40 4.129 4.030 0.099 1
1 384 . 11 1 1 A 40 40 LEU C C 40 178.150 178.188 -0.038 1
1 385 . 11 1 1 A 40 40 LEU CA C 40 58.273 58.372 -0.099 1
1 386 . 11 1 1 A 40 40 LEU CB C 40 41.194 41.489 -0.295 1
1 390 . 11 1 1 A 40 40 LEU N N 40 121.414 122.083 -0.669 1
1 391 . 11 1 1 A 41 41 ALA H H 41 8.577 8.453 0.124 1
1 392 . 11 1 1 A 41 41 ALA HA H 41 3.650 4.084 -0.434 1
1 396 . 11 1 1 A 41 41 ALA C C 41 179.559 180.385 -0.826 1
1 397 . 11 1 1 A 41 41 ALA CA C 41 55.925 55.576 0.349 1
1 398 . 11 1 1 A 41 41 ALA CB C 41 17.487 18.614 -1.127 1
1 399 . 11 1 1 A 41 41 ALA N N 41 121.362 120.968 0.394 1
1 400 . 11 1 1 A 42 42 ARG H H 42 7.986 7.777 0.209 1
1 401 . 11 1 1 A 42 42 ARG HA H 42 4.083 4.087 -0.004 1
1 408 . 11 1 1 A 42 42 ARG C C 42 179.000 178.724 0.276 1
1 409 . 11 1 1 A 42 42 ARG CA C 42 58.578 59.737 -1.159 1
1 410 . 11 1 1 A 42 42 ARG CB C 42 30.495 30.036 0.459 1
1 413 . 11 1 1 A 42 42 ARG N N 42 114.579 117.675 -3.096 1
1 414 . 11 1 1 A 43 43 LYS H H 43 7.706 7.962 -0.256 1
1 415 . 11 1 1 A 43 43 LYS HA H 43 4.023 4.170 -0.147 1
1 424 . 11 1 1 A 43 43 LYS C C 43 178.248 178.554 -0.306 1
1 425 . 11 1 1 A 43 43 LYS CA C 43 59.177 59.039 0.138 1
1 426 . 11 1 1 A 43 43 LYS CB C 43 33.134 32.512 0.622 1
1 430 . 11 1 1 A 43 43 LYS N N 43 119.896 120.160 -0.264 1
1 431 . 11 1 1 A 44 44 VAL H H 44 7.681 7.905 -0.224 1
1 432 . 11 1 1 A 44 44 VAL HA H 44 4.522 4.315 0.207 1
1 440 . 11 1 1 A 44 44 VAL C C 44 174.654 174.812 -0.158 1
1 441 . 11 1 1 A 44 44 VAL CA C 44 59.912 61.363 -1.451 1
1 442 . 11 1 1 A 44 44 VAL CB C 44 30.979 31.507 -0.528 1
1 445 . 11 1 1 A 44 44 VAL N N 44 105.042 110.547 -5.505 1
1 446 . 11 1 1 A 45 45 HIS H H 45 7.398 7.822 -0.424 1
1 447 . 11 1 1 A 45 45 HIS HA H 45 4.293 4.189 0.104 1
1 451 . 11 1 1 A 45 45 HIS C C 45 174.144 173.944 0.200 1
1 452 . 11 1 1 A 45 45 HIS CA C 45 56.956 56.632 0.324 1
1 453 . 11 1 1 A 45 45 HIS CB C 45 26.353 26.586 -0.233 1
1 455 . 11 1 1 A 45 45 HIS N N 45 117.892 116.086 1.806 1
1 456 . 11 1 1 A 46 46 LEU H H 46 8.571 7.972 0.599 1
1 457 . 11 1 1 A 46 46 LEU HA H 46 4.855 4.927 -0.072 1
1 467 . 11 1 1 A 46 46 LEU C C 46 176.256 175.314 0.942 1
1 468 . 11 1 1 A 46 46 LEU CA C 46 52.689 53.449 -0.760 1
1 469 . 11 1 1 A 46 46 LEU CB C 46 47.746 45.739 2.007 1
1 473 . 11 1 1 A 46 46 LEU N N 46 119.288 118.713 0.575 1
1 474 . 11 1 1 A 47 47 ARG H H 47 7.979 8.777 -0.798 1
1 475 . 11 1 1 A 47 47 ARG HA H 47 4.439 4.510 -0.071 1
1 482 . 11 1 1 A 47 47 ARG C C 47 178.830 177.413 1.417 1
1 483 . 11 1 1 A 47 47 ARG CA C 47 55.871 54.963 0.908 1
1 484 . 11 1 1 A 47 47 ARG CB C 47 30.838 32.036 -1.198 1
1 487 . 11 1 1 A 47 47 ARG N N 47 119.085 119.911 -0.826 1
1 488 . 11 1 1 A 48 48 GLU H H 48 9.642 8.765 0.877 1
1 489 . 11 1 1 A 48 48 GLU HA H 48 3.644 3.969 -0.325 1
1 494 . 11 1 1 A 48 48 GLU C C 48 178.515 178.321 0.194 1
1 495 . 11 1 1 A 48 48 GLU CA C 48 61.612 59.835 1.777 1
1 496 . 11 1 1 A 48 48 GLU CB C 48 28.860 29.429 -0.569 1
1 498 . 11 1 1 A 48 48 GLU N N 48 125.963 122.930 3.033 1
1 499 . 11 1 1 A 49 49 GLU H H 49 9.638 8.402 1.236 1
1 500 . 11 1 1 A 49 49 GLU HA H 49 4.239 4.108 0.131 1
1 505 . 11 1 1 A 49 49 GLU C C 49 178.927 178.943 -0.016 1
1 506 . 11 1 1 A 49 49 GLU CA C 49 59.681 59.438 0.243 1
1 507 . 11 1 1 A 49 49 GLU CB C 49 28.531 29.416 -0.885 1
1 509 . 11 1 1 A 49 49 GLU N N 49 118.929 118.335 0.594 1
1 510 . 11 1 1 A 50 50 LYS H H 50 7.398 7.843 -0.445 1
1 511 . 11 1 1 A 50 50 LYS HA H 50 4.318 4.220 0.098 1
1 520 . 11 1 1 A 50 50 LYS C C 50 179.486 179.364 0.122 1
1 521 . 11 1 1 A 50 50 LYS CA C 50 58.084 59.598 -1.514 1
1 522 . 11 1 1 A 50 50 LYS CB C 50 32.487 32.379 0.108 1
1 526 . 11 1 1 A 50 50 LYS N N 50 117.569 119.907 -2.338 1
1 527 . 11 1 1 A 51 51 VAL H H 51 7.614 8.123 -0.509 1
1 528 . 11 1 1 A 51 51 VAL HA H 51 3.739 3.594 0.145 1
1 536 . 11 1 1 A 51 51 VAL C C 51 177.641 177.969 -0.328 1
1 537 . 11 1 1 A 51 51 VAL CA C 51 66.900 67.099 -0.199 1
1 538 . 11 1 1 A 51 51 VAL CB C 51 31.876 31.396 0.480 1
1 541 . 11 1 1 A 51 51 VAL N N 51 120.291 120.317 -0.026 1
1 542 . 11 1 1 A 52 52 GLU H H 52 8.274 7.951 0.323 1
1 543 . 11 1 1 A 52 52 GLU HA H 52 4.198 3.917 0.281 1
1 547 . 11 1 1 A 52 52 GLU C C 52 179.073 178.574 0.499 1
1 548 . 11 1 1 A 52 52 GLU CA C 52 60.434 59.456 0.978 1
1 549 . 11 1 1 A 52 52 GLU CB C 52 29.073 29.676 -0.603 1
1 551 . 11 1 1 A 52 52 GLU N N 52 120.105 120.628 -0.523 1
1 552 . 11 1 1 A 53 53 VAL H H 53 7.936 7.920 0.016 1
1 553 . 11 1 1 A 53 53 VAL HA H 53 3.692 3.760 -0.068 1
1 561 . 11 1 1 A 53 53 VAL C C 53 177.592 178.312 -0.720 1
1 562 . 11 1 1 A 53 53 VAL CA C 53 66.935 66.675 0.260 1
1 563 . 11 1 1 A 53 53 VAL CB C 53 32.273 31.880 0.393 1
1 566 . 11 1 1 A 53 53 VAL N N 53 119.238 119.476 -0.238 1
1 567 . 11 1 1 A 54 54 TRP H H 54 8.321 8.183 0.138 1
1 568 . 11 1 1 A 54 54 TRP HA H 54 4.083 4.134 -0.051 1
1 577 . 11 1 1 A 54 54 TRP C C 54 179.802 178.034 1.768 1
1 578 . 11 1 1 A 54 54 TRP CA C 54 63.129 61.334 1.795 1
1 579 . 11 1 1 A 54 54 TRP CB C 54 28.635 29.628 -0.993 1
1 585 . 11 1 1 A 54 54 TRP N N 54 121.382 121.348 0.034 1
1 587 . 11 1 1 A 55 55 PHE H H 55 8.834 8.247 0.587 1
1 588 . 11 1 1 A 55 55 PHE HA H 55 3.676 3.725 -0.049 1
1 596 . 11 1 1 A 55 55 PHE C C 55 178.150 177.912 0.238 1
1 597 . 11 1 1 A 55 55 PHE CA C 55 64.096 61.837 2.259 1
1 598 . 11 1 1 A 55 55 PHE CB C 55 39.358 38.587 0.771 1
1 604 . 11 1 1 A 55 55 PHE N N 55 118.755 117.906 0.849 1
1 605 . 11 1 1 A 56 56 LYS H H 56 8.241 8.062 0.179 1
1 606 . 11 1 1 A 56 56 LYS HA H 56 3.977 3.865 0.112 1
1 612 . 11 1 1 A 56 56 LYS C C 56 180.166 179.646 0.520 1
1 613 . 11 1 1 A 56 56 LYS CA C 56 60.744 59.422 1.322 1
1 614 . 11 1 1 A 56 56 LYS CB C 56 32.322 32.422 -0.100 1
1 618 . 11 1 1 A 56 56 LYS N N 56 120.065 118.185 1.880 1
1 619 . 11 1 1 A 57 57 ASN H H 57 8.084 8.387 -0.303 1
1 620 . 11 1 1 A 57 57 ASN HA H 57 4.367 4.334 0.033 1
1 625 . 11 1 1 A 57 57 ASN C C 57 177.422 178.015 -0.593 1
1 626 . 11 1 1 A 57 57 ASN CA C 57 55.660 56.336 -0.676 1
1 627 . 11 1 1 A 57 57 ASN CB C 57 38.008 37.603 0.405 1
1 628 . 11 1 1 A 57 57 ASN N N 57 118.967 118.030 0.937 1
1 630 . 11 1 1 A 58 58 ARG H H 58 8.575 7.618 0.957 1
1 631 . 11 1 1 A 58 58 ARG HA H 58 3.463 3.700 -0.237 1
1 639 . 11 1 1 A 58 58 ARG C C 58 180.044 178.339 1.705 1
1 640 . 11 1 1 A 58 58 ARG CA C 58 56.568 59.465 -2.897 1
1 641 . 11 1 1 A 58 58 ARG CB C 58 28.155 29.284 -1.129 1
1 644 . 11 1 1 A 58 58 ARG N N 58 124.441 118.815 5.626 1
1 646 . 11 1 1 A 59 59 ARG H H 59 8.490 7.863 0.627 1
1 647 . 11 1 1 A 59 59 ARG HA H 59 4.334 4.096 0.238 1
1 653 . 11 1 1 A 59 59 ARG C C 59 178.223 178.478 -0.255 1
1 654 . 11 1 1 A 59 59 ARG CA C 59 60.699 59.322 1.377 1
1 655 . 11 1 1 A 59 59 ARG CB C 59 31.905 30.008 1.897 1
1 658 . 11 1 1 A 59 59 ARG N N 59 118.847 119.360 -0.513 1
1 659 . 11 1 1 A 60 60 ALA H H 60 7.459 7.772 -0.313 1
1 660 . 11 1 1 A 60 60 ALA HA H 60 4.225 4.116 0.109 1
1 664 . 11 1 1 A 60 60 ALA C C 60 179.680 179.700 -0.020 1
1 665 . 11 1 1 A 60 60 ALA CA C 60 55.051 54.917 0.134 1
1 666 . 11 1 1 A 60 60 ALA CB C 60 17.817 18.492 -0.675 1
1 667 . 11 1 1 A 60 60 ALA N N 60 121.387 121.515 -0.128 1
1 668 . 11 1 1 A 61 61 LYS H H 61 7.452 7.904 -0.452 1
1 669 . 11 1 1 A 61 61 LYS HA H 61 4.042 4.091 -0.049 1
1 676 . 11 1 1 A 61 61 LYS C C 61 178.078 178.621 -0.543 1
1 677 . 11 1 1 A 61 61 LYS CA C 61 58.472 58.993 -0.521 1
1 678 . 11 1 1 A 61 61 LYS CB C 61 32.734 32.388 0.346 1
1 682 . 11 1 1 A 61 61 LYS N N 61 118.087 118.133 -0.046 1
1 683 . 11 1 1 A 62 62 TRP H H 62 8.008 8.569 -0.561 1
1 684 . 11 1 1 A 62 62 TRP HA H 62 4.632 4.249 0.383 1
1 693 . 11 1 1 A 62 62 TRP C C 62 177.471 178.237 -0.766 1
1 694 . 11 1 1 A 62 62 TRP CA C 62 59.120 60.711 -1.591 1
1 695 . 11 1 1 A 62 62 TRP CB C 62 29.366 29.758 -0.392 1
1 701 . 11 1 1 A 62 62 TRP N N 62 121.749 122.062 -0.313 1
1 703 . 11 1 1 A 63 63 ARG H H 63 8.286 8.663 -0.377 1
1 704 . 11 1 1 A 63 63 ARG HA H 63 3.736 3.591 0.145 1
1 711 . 11 1 1 A 63 63 ARG C C 63 176.888 178.389 -1.501 1
1 712 . 11 1 1 A 63 63 ARG CA C 63 57.385 58.732 -1.347 1
1 713 . 11 1 1 A 63 63 ARG CB C 63 30.726 30.420 0.306 1
1 716 . 11 1 1 A 63 63 ARG N N 63 119.622 118.472 1.150 1
1 717 . 11 1 1 A 64 64 ARG H H 64 7.670 7.859 -0.189 1
1 718 . 11 1 1 A 64 64 ARG HA H 64 4.196 4.046 0.150 1
1 723 . 11 1 1 A 64 64 ARG C C 64 176.645 176.834 -0.189 1
1 724 . 11 1 1 A 64 64 ARG CA C 64 56.956 58.708 -1.752 1
1 725 . 11 1 1 A 64 64 ARG CB C 64 30.369 30.245 0.124 1
1 728 . 11 1 1 A 64 64 ARG N N 64 119.096 120.100 -1.004 1
1 729 . 11 1 1 A 65 65 SER H H 65 7.962 7.876 0.086 1
1 730 . 11 1 1 A 65 65 SER HA H 65 4.474 4.417 0.057 1
1 733 . 11 1 1 A 65 65 SER C C 65 174.435 173.734 0.701 1
1 734 . 11 1 1 A 65 65 SER CA C 65 58.837 58.152 0.685 1
1 735 . 11 1 1 A 65 65 SER CB C 65 63.947 64.083 -0.136 1
1 736 . 11 1 1 A 65 65 SER N N 65 115.352 114.881 0.471 1
1 737 . 11 1 1 A 66 66 GLY H H 66 8.031 8.324 -0.293 1
1 738 . 11 1 1 A 66 66 GLY HA2 H 66 4.068 3.850 0.218 1
1 739 . 11 1 1 A 66 66 GLY C C 66 171.813 173.720 -1.907 1
1 740 . 11 1 1 A 66 66 GLY CA C 66 44.800 46.212 -1.412 1
1 741 . 11 1 1 A 66 66 GLY N N 66 110.503 112.955 -2.452 1
1 742 . 11 1 1 A 67 67 PRO HA H 67 4.456 4.702 -0.246 1
1 747 . 11 1 1 A 67 67 PRO CA C 67 63.352 62.415 0.937 1
1 748 . 11 1 1 A 67 67 PRO CB C 67 32.167 30.038 2.129 1
1 751 . 11 1 1 A 68 68 SER HA H 68 4.457 4.945 -0.488 1
1 754 . 11 1 1 A 68 68 SER C C 68 174.654 172.569 2.085 1
1 755 . 11 1 1 A 68 68 SER CA C 68 58.612 57.305 1.307 1
1 756 . 11 1 1 A 68 68 SER CB C 68 63.845 66.089 -2.244 1
1 757 . 11 1 1 A 69 69 SER HA H 69 4.491 4.529 -0.038 1
1 760 . 11 1 1 A 69 69 SER C C 69 173.925 175.447 -1.522 1
1 761 . 11 1 1 A 69 69 SER CA C 69 58.423 58.599 -0.176 1
1 762 . 11 1 1 A 69 69 SER CB C 69 63.969 63.645 0.324 1
1 1 . 12 1 1 A 10 10 HIS HA H 10 4.605 5.325 -0.720 1
1 5 . 12 1 1 A 10 10 HIS CA C 10 56.397 53.993 2.404 1
1 6 . 12 1 1 A 10 10 HIS CB C 10 29.857 31.465 -1.608 1
1 8 . 12 1 1 A 12 12 THR HA H 12 4.305 4.623 -0.318 1
1 13 . 12 1 1 A 12 12 THR C C 12 173.925 174.004 -0.079 1
1 14 . 12 1 1 A 12 12 THR CA C 12 62.068 62.466 -0.398 1
1 15 . 12 1 1 A 12 12 THR CB C 12 69.817 69.813 0.004 1
1 17 . 12 1 1 A 13 13 ILE H H 13 8.188 8.766 -0.578 1
1 18 . 12 1 1 A 13 13 ILE HA H 13 4.139 3.965 0.174 1
1 28 . 12 1 1 A 13 13 ILE C C 13 175.795 176.012 -0.217 1
1 29 . 12 1 1 A 13 13 ILE CA C 13 61.202 62.953 -1.751 1
1 30 . 12 1 1 A 13 13 ILE CB C 13 38.686 38.506 0.180 1
1 34 . 12 1 1 A 13 13 ILE N N 13 123.673 128.311 -4.638 1
1 35 . 12 1 1 A 14 14 PHE H H 14 8.178 8.094 0.084 1
1 36 . 12 1 1 A 14 14 PHE HA H 14 4.977 5.075 -0.098 1
1 44 . 12 1 1 A 14 14 PHE C C 14 176.475 175.890 0.585 1
1 45 . 12 1 1 A 14 14 PHE CA C 14 57.025 56.755 0.270 1
1 46 . 12 1 1 A 14 14 PHE CB C 14 41.482 41.487 -0.005 1
1 52 . 12 1 1 A 14 14 PHE N N 14 122.586 117.667 4.919 1
1 53 . 12 1 1 A 15 15 THR H H 15 8.792 9.000 -0.208 1
1 54 . 12 1 1 A 15 15 THR HA H 15 4.462 4.584 -0.122 1
1 59 . 12 1 1 A 15 15 THR C C 15 175.261 175.610 -0.349 1
1 60 . 12 1 1 A 15 15 THR CA C 15 60.623 60.976 -0.353 1
1 61 . 12 1 1 A 15 15 THR CB C 15 70.645 71.048 -0.403 1
1 63 . 12 1 1 A 15 15 THR N N 15 113.201 114.279 -1.078 1
1 64 . 12 1 1 A 16 16 ASP H H 16 9.018 8.941 0.077 1
1 65 . 12 1 1 A 16 16 ASP HA H 16 4.371 4.326 0.045 1
1 68 . 12 1 1 A 16 16 ASP C C 16 178.806 178.535 0.271 1
1 69 . 12 1 1 A 16 16 ASP CA C 16 58.163 58.135 0.028 1
1 70 . 12 1 1 A 16 16 ASP CB C 16 39.689 40.354 -0.665 1
1 71 . 12 1 1 A 16 16 ASP N N 16 121.802 121.888 -0.086 1
1 72 . 12 1 1 A 17 17 GLU H H 17 8.785 8.280 0.505 1
1 73 . 12 1 1 A 17 17 GLU HA H 17 4.054 4.048 0.006 1
1 78 . 12 1 1 A 17 17 GLU C C 17 180.044 178.770 1.274 1
1 79 . 12 1 1 A 17 17 GLU CA C 17 59.706 59.486 0.220 1
1 80 . 12 1 1 A 17 17 GLU CB C 17 29.520 29.337 0.183 1
1 82 . 12 1 1 A 17 17 GLU N N 17 119.474 117.866 1.608 1
1 83 . 12 1 1 A 18 18 GLN H H 18 7.700 8.129 -0.429 1
1 84 . 12 1 1 A 18 18 GLN HA H 18 3.665 3.628 0.037 1
1 91 . 12 1 1 A 18 18 GLN C C 18 177.009 178.827 -1.818 1
1 92 . 12 1 1 A 18 18 GLN CA C 18 59.354 59.119 0.235 1
1 93 . 12 1 1 A 18 18 GLN CB C 18 27.377 27.954 -0.577 1
1 95 . 12 1 1 A 18 18 GLN N N 18 119.784 119.475 0.309 1
1 97 . 12 1 1 A 19 19 LEU H H 19 8.383 8.087 0.296 1
1 98 . 12 1 1 A 19 19 LEU HA H 19 3.585 3.622 -0.037 1
1 108 . 12 1 1 A 19 19 LEU C C 19 178.830 178.550 0.280 1
1 109 . 12 1 1 A 19 19 LEU CA C 19 57.908 57.773 0.135 1
1 110 . 12 1 1 A 19 19 LEU CB C 19 41.703 41.177 0.526 1
1 114 . 12 1 1 A 19 19 LEU N N 19 117.889 119.683 -1.794 1
1 115 . 12 1 1 A 20 20 GLU H H 20 8.119 8.789 -0.670 1
1 116 . 12 1 1 A 20 20 GLU HA H 20 3.897 3.946 -0.049 1
1 121 . 12 1 1 A 20 20 GLU C C 20 178.126 178.527 -0.401 1
1 122 . 12 1 1 A 20 20 GLU CA C 20 59.248 59.600 -0.352 1
1 123 . 12 1 1 A 20 20 GLU CB C 20 29.697 29.390 0.307 1
1 125 . 12 1 1 A 20 20 GLU N N 20 118.697 118.657 0.040 1
1 126 . 12 1 1 A 21 21 ALA H H 21 7.309 7.970 -0.661 1
1 127 . 12 1 1 A 21 21 ALA HA H 21 4.057 4.065 -0.008 1
1 131 . 12 1 1 A 21 21 ALA C C 21 180.773 179.681 1.092 1
1 132 . 12 1 1 A 21 21 ALA CA C 21 54.947 55.126 -0.179 1
1 133 . 12 1 1 A 21 21 ALA CB C 21 18.888 18.710 0.178 1
1 134 . 12 1 1 A 21 21 ALA N N 21 120.540 121.216 -0.676 1
1 135 . 12 1 1 A 22 22 LEU H H 22 8.070 8.043 0.027 1
1 136 . 12 1 1 A 22 22 LEU HA H 22 3.428 3.726 -0.298 1
1 146 . 12 1 1 A 22 22 LEU C C 22 177.131 179.324 -2.193 1
1 147 . 12 1 1 A 22 22 LEU CA C 22 58.408 57.729 0.679 1
1 148 . 12 1 1 A 22 22 LEU CB C 22 38.173 40.258 -2.085 1
1 152 . 12 1 1 A 22 22 LEU N N 22 121.563 117.578 3.985 1
1 153 . 12 1 1 A 23 23 GLU H H 23 7.997 8.186 -0.189 1
1 154 . 12 1 1 A 23 23 GLU HA H 23 4.289 4.152 0.137 1
1 159 . 12 1 1 A 23 23 GLU C C 23 179.510 179.478 0.032 1
1 160 . 12 1 1 A 23 23 GLU CA C 23 58.734 59.819 -1.085 1
1 161 . 12 1 1 A 23 23 GLU CB C 23 28.879 29.345 -0.466 1
1 163 . 12 1 1 A 23 23 GLU N N 23 118.641 116.892 1.749 1
1 164 . 12 1 1 A 24 24 ASN H H 24 8.282 8.357 -0.075 1
1 165 . 12 1 1 A 24 24 ASN HA H 24 4.443 4.502 -0.059 1
1 170 . 12 1 1 A 24 24 ASN C C 24 178.563 177.896 0.667 1
1 171 . 12 1 1 A 24 24 ASN CA C 24 56.145 56.356 -0.211 1
1 172 . 12 1 1 A 24 24 ASN CB C 24 38.055 38.135 -0.080 1
1 173 . 12 1 1 A 24 24 ASN N N 24 117.495 118.243 -0.748 1
1 175 . 12 1 1 A 25 25 LEU H H 25 7.852 8.133 -0.281 1
1 176 . 12 1 1 A 25 25 LEU HA H 25 4.445 4.198 0.247 1
1 186 . 12 1 1 A 25 25 LEU C C 25 177.276 178.339 -1.063 1
1 187 . 12 1 1 A 25 25 LEU CA C 25 57.963 57.554 0.409 1
1 188 . 12 1 1 A 25 25 LEU CB C 25 40.400 42.387 -1.987 1
1 192 . 12 1 1 A 25 25 LEU N N 25 121.261 120.953 0.308 1
1 193 . 12 1 1 A 26 26 PHE H H 26 8.711 8.763 -0.052 1
1 194 . 12 1 1 A 26 26 PHE HA H 26 4.628 4.330 0.298 1
1 202 . 12 1 1 A 26 26 PHE C C 26 176.232 177.905 -1.673 1
1 203 . 12 1 1 A 26 26 PHE CA C 26 61.011 61.063 -0.052 1
1 204 . 12 1 1 A 26 26 PHE CB C 26 38.906 38.723 0.183 1
1 210 . 12 1 1 A 26 26 PHE N N 26 120.816 119.356 1.460 1
1 211 . 12 1 1 A 27 27 GLN H H 27 8.007 8.285 -0.278 1
1 212 . 12 1 1 A 27 27 GLN HA H 27 3.665 3.596 0.069 1
1 219 . 12 1 1 A 27 27 GLN C C 27 177.106 178.305 -1.199 1
1 220 . 12 1 1 A 27 27 GLN CA C 27 57.892 59.248 -1.356 1
1 221 . 12 1 1 A 27 27 GLN CB C 27 28.195 28.384 -0.189 1
1 223 . 12 1 1 A 27 27 GLN N N 27 114.037 118.152 -4.115 1
1 225 . 12 1 1 A 28 28 GLU H H 28 7.467 8.119 -0.652 1
1 226 . 12 1 1 A 28 28 GLU HA H 28 4.190 4.106 0.084 1
1 231 . 12 1 1 A 28 28 GLU C C 28 177.106 176.141 0.965 1
1 232 . 12 1 1 A 28 28 GLU CA C 28 58.138 58.886 -0.748 1
1 233 . 12 1 1 A 28 28 GLU CB C 28 30.756 28.962 1.794 1
1 235 . 12 1 1 A 28 28 GLU N N 28 119.193 117.526 1.667 1
1 236 . 12 1 1 A 29 29 THR H H 29 8.971 7.949 1.022 1
1 237 . 12 1 1 A 29 29 THR HA H 29 4.321 4.634 -0.313 1
1 242 . 12 1 1 A 29 29 THR C C 29 170.526 174.205 -3.679 1
1 243 . 12 1 1 A 29 29 THR CA C 29 59.885 59.969 -0.084 1
1 244 . 12 1 1 A 29 29 THR CB C 29 69.656 71.045 -1.389 1
1 246 . 12 1 1 A 29 29 THR N N 29 116.904 113.411 3.493 1
1 247 . 12 1 1 A 30 30 LYS H H 30 7.942 8.519 -0.577 1
1 248 . 12 1 1 A 30 30 LYS HA H 30 3.765 3.844 -0.079 1
1 257 . 12 1 1 A 30 30 LYS C C 30 175.844 176.528 -0.684 1
1 258 . 12 1 1 A 30 30 LYS CA C 30 56.583 58.471 -1.888 1
1 259 . 12 1 1 A 30 30 LYS CB C 30 32.421 32.852 -0.431 1
1 263 . 12 1 1 A 30 30 LYS N N 30 123.132 126.975 -3.843 1
1 264 . 12 1 1 A 31 31 TYR H H 31 7.788 7.981 -0.193 1
1 265 . 12 1 1 A 31 31 TYR HA H 31 4.608 5.103 -0.495 1
1 272 . 12 1 1 A 31 31 TYR C C 31 172.687 173.251 -0.564 1
1 273 . 12 1 1 A 31 31 TYR CA C 31 54.864 54.696 0.168 1
1 274 . 12 1 1 A 31 31 TYR CB C 31 38.777 39.188 -0.411 1
1 279 . 12 1 1 A 31 31 TYR N N 31 113.626 116.944 -3.318 1
1 280 . 12 1 1 A 32 32 PRO HA H 32 4.399 4.594 -0.195 1
1 287 . 12 1 1 A 32 32 PRO C C 32 177.203 175.313 1.890 1
1 288 . 12 1 1 A 32 32 PRO CA C 32 62.668 62.332 0.336 1
1 289 . 12 1 1 A 32 32 PRO CB C 32 31.394 32.780 -1.386 1
1 292 . 12 1 1 A 33 33 ASP H H 33 8.548 8.563 -0.015 1
1 293 . 12 1 1 A 33 33 ASP HA H 33 4.473 4.970 -0.497 1
1 296 . 12 1 1 A 33 33 ASP C C 33 175.989 177.417 -1.428 1
1 297 . 12 1 1 A 33 33 ASP CA C 33 52.775 53.094 -0.319 1
1 298 . 12 1 1 A 33 33 ASP CB C 33 41.295 42.117 -0.822 1
1 299 . 12 1 1 A 33 33 ASP N N 33 123.152 120.668 2.484 1
1 300 . 12 1 1 A 34 34 VAL H H 34 8.493 8.505 -0.012 1
1 301 . 12 1 1 A 34 34 VAL HA H 34 3.522 3.754 -0.232 1
1 309 . 12 1 1 A 34 34 VAL C C 34 177.203 177.959 -0.756 1
1 310 . 12 1 1 A 34 34 VAL CA C 34 66.618 65.754 0.864 1
1 311 . 12 1 1 A 34 34 VAL CB C 34 31.697 31.806 -0.109 1
1 314 . 12 1 1 A 34 34 VAL N N 34 119.474 125.330 -5.856 1
1 315 . 12 1 1 A 35 35 GLY H H 35 8.389 8.247 0.142 1
1 316 . 12 1 1 A 35 35 GLY HA2 H 35 3.901 3.771 0.130 1
1 317 . 12 1 1 A 35 35 GLY HA3 H 35 3.901 3.774 0.127 1
1 318 . 12 1 1 A 35 35 GLY C C 35 176.985 176.274 0.711 1
1 319 . 12 1 1 A 35 35 GLY CA C 35 46.976 47.476 -0.500 1
1 320 . 12 1 1 A 35 35 GLY N N 35 109.478 108.840 0.638 1
1 321 . 12 1 1 A 36 36 THR H H 36 8.142 7.804 0.338 1
1 322 . 12 1 1 A 36 36 THR HA H 36 3.918 4.023 -0.105 1
1 327 . 12 1 1 A 36 36 THR C C 36 177.616 176.668 0.948 1
1 328 . 12 1 1 A 36 36 THR CA C 36 66.957 66.196 0.761 1
1 329 . 12 1 1 A 36 36 THR CB C 36 67.887 68.091 -0.204 1
1 331 . 12 1 1 A 36 36 THR N N 36 121.210 117.399 3.811 1
1 332 . 12 1 1 A 37 37 ARG H H 37 8.396 8.484 -0.088 1
1 333 . 12 1 1 A 37 37 ARG HA H 37 3.712 3.923 -0.211 1
1 341 . 12 1 1 A 37 37 ARG C C 37 177.980 179.099 -1.119 1
1 342 . 12 1 1 A 37 37 ARG CA C 37 61.187 59.635 1.552 1
1 343 . 12 1 1 A 37 37 ARG CB C 37 31.250 30.207 1.043 1
1 346 . 12 1 1 A 37 37 ARG N N 37 121.196 120.039 1.157 1
1 348 . 12 1 1 A 38 38 GLU H H 38 8.843 8.752 0.091 1
1 349 . 12 1 1 A 38 38 GLU HA H 38 3.905 4.012 -0.107 1
1 354 . 12 1 1 A 38 38 GLU C C 38 178.636 179.273 -0.637 1
1 355 . 12 1 1 A 38 38 GLU CA C 38 59.797 59.115 0.682 1
1 356 . 12 1 1 A 38 38 GLU CB C 38 29.529 29.093 0.436 1
1 358 . 12 1 1 A 38 38 GLU N N 38 119.875 119.334 0.541 1
1 359 . 12 1 1 A 39 39 GLN H H 39 7.939 7.526 0.413 1
1 360 . 12 1 1 A 39 39 GLN HA H 39 3.977 4.010 -0.033 1
1 367 . 12 1 1 A 39 39 GLN C C 39 178.782 177.682 1.100 1
1 368 . 12 1 1 A 39 39 GLN CA C 39 59.078 58.754 0.324 1
1 369 . 12 1 1 A 39 39 GLN CB C 39 28.426 28.471 -0.045 1
1 371 . 12 1 1 A 39 39 GLN N N 39 118.456 118.793 -0.337 1
1 373 . 12 1 1 A 40 40 LEU H H 40 7.515 8.373 -0.858 1
1 374 . 12 1 1 A 40 40 LEU HA H 40 4.129 4.014 0.115 1
1 384 . 12 1 1 A 40 40 LEU C C 40 178.150 178.240 -0.090 1
1 385 . 12 1 1 A 40 40 LEU CA C 40 58.273 58.049 0.224 1
1 386 . 12 1 1 A 40 40 LEU CB C 40 41.194 41.305 -0.111 1
1 390 . 12 1 1 A 40 40 LEU N N 40 121.414 122.257 -0.843 1
1 391 . 12 1 1 A 41 41 ALA H H 41 8.577 8.484 0.093 1
1 392 . 12 1 1 A 41 41 ALA HA H 41 3.650 4.029 -0.379 1
1 396 . 12 1 1 A 41 41 ALA C C 41 179.559 180.220 -0.661 1
1 397 . 12 1 1 A 41 41 ALA CA C 41 55.925 55.530 0.395 1
1 398 . 12 1 1 A 41 41 ALA CB C 41 17.487 18.571 -1.084 1
1 399 . 12 1 1 A 41 41 ALA N N 41 121.362 120.991 0.371 1
1 400 . 12 1 1 A 42 42 ARG H H 42 7.986 7.686 0.300 1
1 401 . 12 1 1 A 42 42 ARG HA H 42 4.083 3.972 0.111 1
1 408 . 12 1 1 A 42 42 ARG C C 42 179.000 178.647 0.353 1
1 409 . 12 1 1 A 42 42 ARG CA C 42 58.578 59.614 -1.036 1
1 410 . 12 1 1 A 42 42 ARG CB C 42 30.495 29.978 0.517 1
1 413 . 12 1 1 A 42 42 ARG N N 42 114.579 117.555 -2.976 1
1 414 . 12 1 1 A 43 43 LYS H H 43 7.706 7.783 -0.077 1
1 415 . 12 1 1 A 43 43 LYS HA H 43 4.023 4.029 -0.006 1
1 424 . 12 1 1 A 43 43 LYS C C 43 178.248 178.378 -0.130 1
1 425 . 12 1 1 A 43 43 LYS CA C 43 59.177 58.926 0.251 1
1 426 . 12 1 1 A 43 43 LYS CB C 43 33.134 32.500 0.634 1
1 430 . 12 1 1 A 43 43 LYS N N 43 119.896 119.731 0.165 1
1 431 . 12 1 1 A 44 44 VAL H H 44 7.681 7.635 0.046 1
1 432 . 12 1 1 A 44 44 VAL HA H 44 4.522 4.391 0.131 1
1 440 . 12 1 1 A 44 44 VAL C C 44 174.654 174.798 -0.144 1
1 441 . 12 1 1 A 44 44 VAL CA C 44 59.912 61.136 -1.224 1
1 442 . 12 1 1 A 44 44 VAL CB C 44 30.979 31.479 -0.500 1
1 445 . 12 1 1 A 44 44 VAL N N 44 105.042 110.416 -5.374 1
1 446 . 12 1 1 A 45 45 HIS H H 45 7.398 7.566 -0.168 1
1 447 . 12 1 1 A 45 45 HIS HA H 45 4.293 4.178 0.115 1
1 451 . 12 1 1 A 45 45 HIS C C 45 174.144 173.927 0.217 1
1 452 . 12 1 1 A 45 45 HIS CA C 45 56.956 56.632 0.324 1
1 453 . 12 1 1 A 45 45 HIS CB C 45 26.353 26.593 -0.240 1
1 455 . 12 1 1 A 45 45 HIS N N 45 117.892 116.072 1.820 1
1 456 . 12 1 1 A 46 46 LEU H H 46 8.571 7.920 0.651 1
1 457 . 12 1 1 A 46 46 LEU HA H 46 4.855 4.885 -0.030 1
1 467 . 12 1 1 A 46 46 LEU C C 46 176.256 175.341 0.915 1
1 468 . 12 1 1 A 46 46 LEU CA C 46 52.689 53.525 -0.836 1
1 469 . 12 1 1 A 46 46 LEU CB C 46 47.746 45.843 1.903 1
1 473 . 12 1 1 A 46 46 LEU N N 46 119.288 118.626 0.662 1
1 474 . 12 1 1 A 47 47 ARG H H 47 7.979 8.737 -0.758 1
1 475 . 12 1 1 A 47 47 ARG HA H 47 4.439 4.423 0.016 1
1 482 . 12 1 1 A 47 47 ARG C C 47 178.830 177.374 1.456 1
1 483 . 12 1 1 A 47 47 ARG CA C 47 55.871 55.454 0.417 1
1 484 . 12 1 1 A 47 47 ARG CB C 47 30.838 31.587 -0.749 1
1 487 . 12 1 1 A 47 47 ARG N N 47 119.085 120.497 -1.412 1
1 488 . 12 1 1 A 48 48 GLU H H 48 9.642 9.177 0.465 1
1 489 . 12 1 1 A 48 48 GLU HA H 48 3.644 3.827 -0.183 1
1 494 . 12 1 1 A 48 48 GLU C C 48 178.515 178.174 0.341 1
1 495 . 12 1 1 A 48 48 GLU CA C 48 61.612 60.532 1.080 1
1 496 . 12 1 1 A 48 48 GLU CB C 48 28.860 29.575 -0.715 1
1 498 . 12 1 1 A 48 48 GLU N N 48 125.963 125.260 0.703 1
1 499 . 12 1 1 A 49 49 GLU H H 49 9.638 8.358 1.280 1
1 500 . 12 1 1 A 49 49 GLU HA H 49 4.239 4.089 0.150 1
1 505 . 12 1 1 A 49 49 GLU C C 49 178.927 178.996 -0.069 1
1 506 . 12 1 1 A 49 49 GLU CA C 49 59.681 59.325 0.356 1
1 507 . 12 1 1 A 49 49 GLU CB C 49 28.531 29.420 -0.889 1
1 509 . 12 1 1 A 49 49 GLU N N 49 118.929 117.496 1.433 1
1 510 . 12 1 1 A 50 50 LYS H H 50 7.398 7.715 -0.317 1
1 511 . 12 1 1 A 50 50 LYS HA H 50 4.318 4.142 0.176 1
1 520 . 12 1 1 A 50 50 LYS C C 50 179.486 179.260 0.226 1
1 521 . 12 1 1 A 50 50 LYS CA C 50 58.084 59.532 -1.448 1
1 522 . 12 1 1 A 50 50 LYS CB C 50 32.487 32.528 -0.041 1
1 526 . 12 1 1 A 50 50 LYS N N 50 117.569 120.063 -2.494 1
1 527 . 12 1 1 A 51 51 VAL H H 51 7.614 8.002 -0.388 1
1 528 . 12 1 1 A 51 51 VAL HA H 51 3.739 3.507 0.232 1
1 536 . 12 1 1 A 51 51 VAL C C 51 177.641 177.945 -0.304 1
1 537 . 12 1 1 A 51 51 VAL CA C 51 66.900 67.131 -0.231 1
1 538 . 12 1 1 A 51 51 VAL CB C 51 31.876 31.402 0.474 1
1 541 . 12 1 1 A 51 51 VAL N N 51 120.291 120.196 0.095 1
1 542 . 12 1 1 A 52 52 GLU H H 52 8.274 7.917 0.357 1
1 543 . 12 1 1 A 52 52 GLU HA H 52 4.198 3.820 0.378 1
1 547 . 12 1 1 A 52 52 GLU C C 52 179.073 178.900 0.173 1
1 548 . 12 1 1 A 52 52 GLU CA C 52 60.434 59.483 0.951 1
1 549 . 12 1 1 A 52 52 GLU CB C 52 29.073 29.582 -0.509 1
1 551 . 12 1 1 A 52 52 GLU N N 52 120.105 120.267 -0.162 1
1 552 . 12 1 1 A 53 53 VAL H H 53 7.936 7.854 0.082 1
1 553 . 12 1 1 A 53 53 VAL HA H 53 3.692 3.707 -0.015 1
1 561 . 12 1 1 A 53 53 VAL C C 53 177.592 178.187 -0.595 1
1 562 . 12 1 1 A 53 53 VAL CA C 53 66.935 66.728 0.207 1
1 563 . 12 1 1 A 53 53 VAL CB C 53 32.273 31.592 0.681 1
1 566 . 12 1 1 A 53 53 VAL N N 53 119.238 119.263 -0.025 1
1 567 . 12 1 1 A 54 54 TRP H H 54 8.321 8.302 0.019 1
1 568 . 12 1 1 A 54 54 TRP HA H 54 4.083 4.171 -0.088 1
1 577 . 12 1 1 A 54 54 TRP C C 54 179.802 178.503 1.299 1
1 578 . 12 1 1 A 54 54 TRP CA C 54 63.129 61.264 1.865 1
1 579 . 12 1 1 A 54 54 TRP CB C 54 28.635 29.594 -0.959 1
1 585 . 12 1 1 A 54 54 TRP N N 54 121.382 121.259 0.123 1
1 587 . 12 1 1 A 55 55 PHE H H 55 8.834 8.148 0.686 1
1 588 . 12 1 1 A 55 55 PHE HA H 55 3.676 3.846 -0.170 1
1 596 . 12 1 1 A 55 55 PHE C C 55 178.150 178.138 0.012 1
1 597 . 12 1 1 A 55 55 PHE CA C 55 64.096 61.741 2.355 1
1 598 . 12 1 1 A 55 55 PHE CB C 55 39.358 38.792 0.566 1
1 604 . 12 1 1 A 55 55 PHE N N 55 118.755 118.154 0.601 1
1 605 . 12 1 1 A 56 56 LYS H H 56 8.241 7.985 0.256 1
1 606 . 12 1 1 A 56 56 LYS HA H 56 3.977 3.898 0.079 1
1 612 . 12 1 1 A 56 56 LYS C C 56 180.166 179.728 0.438 1
1 613 . 12 1 1 A 56 56 LYS CA C 56 60.744 59.461 1.283 1
1 614 . 12 1 1 A 56 56 LYS CB C 56 32.322 32.466 -0.144 1
1 618 . 12 1 1 A 56 56 LYS N N 56 120.065 118.277 1.788 1
1 619 . 12 1 1 A 57 57 ASN H H 57 8.084 8.391 -0.307 1
1 620 . 12 1 1 A 57 57 ASN HA H 57 4.367 4.427 -0.060 1
1 625 . 12 1 1 A 57 57 ASN C C 57 177.422 177.955 -0.533 1
1 626 . 12 1 1 A 57 57 ASN CA C 57 55.660 56.395 -0.735 1
1 627 . 12 1 1 A 57 57 ASN CB C 57 38.008 37.687 0.321 1
1 628 . 12 1 1 A 57 57 ASN N N 57 118.967 118.349 0.618 1
1 630 . 12 1 1 A 58 58 ARG H H 58 8.575 7.836 0.739 1
1 631 . 12 1 1 A 58 58 ARG HA H 58 3.463 3.527 -0.064 1
1 639 . 12 1 1 A 58 58 ARG C C 58 180.044 178.095 1.949 1
1 640 . 12 1 1 A 58 58 ARG CA C 58 56.568 59.277 -2.709 1
1 641 . 12 1 1 A 58 58 ARG CB C 58 28.155 28.939 -0.784 1
1 644 . 12 1 1 A 58 58 ARG N N 58 124.441 119.295 5.146 1
1 646 . 12 1 1 A 59 59 ARG H H 59 8.490 7.733 0.757 1
1 647 . 12 1 1 A 59 59 ARG HA H 59 4.334 4.198 0.136 1
1 653 . 12 1 1 A 59 59 ARG C C 59 178.223 178.230 -0.007 1
1 654 . 12 1 1 A 59 59 ARG CA C 59 60.699 59.450 1.249 1
1 655 . 12 1 1 A 59 59 ARG CB C 59 31.905 30.095 1.810 1
1 658 . 12 1 1 A 59 59 ARG N N 59 118.847 119.567 -0.720 1
1 659 . 12 1 1 A 60 60 ALA H H 60 7.459 7.899 -0.440 1
1 660 . 12 1 1 A 60 60 ALA HA H 60 4.225 4.092 0.133 1
1 664 . 12 1 1 A 60 60 ALA C C 60 179.680 179.601 0.079 1
1 665 . 12 1 1 A 60 60 ALA CA C 60 55.051 54.924 0.127 1
1 666 . 12 1 1 A 60 60 ALA CB C 60 17.817 18.572 -0.755 1
1 667 . 12 1 1 A 60 60 ALA N N 60 121.387 121.668 -0.281 1
1 668 . 12 1 1 A 61 61 LYS H H 61 7.452 8.096 -0.644 1
1 669 . 12 1 1 A 61 61 LYS HA H 61 4.042 4.053 -0.011 1
1 676 . 12 1 1 A 61 61 LYS C C 61 178.078 178.968 -0.890 1
1 677 . 12 1 1 A 61 61 LYS CA C 61 58.472 59.073 -0.601 1
1 678 . 12 1 1 A 61 61 LYS CB C 61 32.734 31.954 0.780 1
1 682 . 12 1 1 A 61 61 LYS N N 61 118.087 117.742 0.345 1
1 683 . 12 1 1 A 62 62 TRP H H 62 8.008 7.999 0.009 1
1 684 . 12 1 1 A 62 62 TRP HA H 62 4.632 4.317 0.315 1
1 693 . 12 1 1 A 62 62 TRP C C 62 177.471 178.626 -1.155 1
1 694 . 12 1 1 A 62 62 TRP CA C 62 59.120 60.817 -1.697 1
1 695 . 12 1 1 A 62 62 TRP CB C 62 29.366 29.511 -0.145 1
1 701 . 12 1 1 A 62 62 TRP N N 62 121.749 121.706 0.043 1
1 703 . 12 1 1 A 63 63 ARG H H 63 8.286 8.278 0.008 1
1 704 . 12 1 1 A 63 63 ARG HA H 63 3.736 3.382 0.354 1
1 711 . 12 1 1 A 63 63 ARG C C 63 176.888 178.318 -1.430 1
1 712 . 12 1 1 A 63 63 ARG CA C 63 57.385 58.863 -1.478 1
1 713 . 12 1 1 A 63 63 ARG CB C 63 30.726 29.833 0.893 1
1 716 . 12 1 1 A 63 63 ARG N N 63 119.622 118.660 0.962 1
1 717 . 12 1 1 A 64 64 ARG H H 64 7.670 7.396 0.274 1
1 718 . 12 1 1 A 64 64 ARG HA H 64 4.196 4.024 0.172 1
1 723 . 12 1 1 A 64 64 ARG C C 64 176.645 175.974 0.671 1
1 724 . 12 1 1 A 64 64 ARG CA C 64 56.956 59.023 -2.067 1
1 725 . 12 1 1 A 64 64 ARG CB C 64 30.369 29.738 0.631 1
1 728 . 12 1 1 A 64 64 ARG N N 64 119.096 120.203 -1.107 1
1 729 . 12 1 1 A 65 65 SER H H 65 7.962 8.035 -0.073 1
1 730 . 12 1 1 A 65 65 SER HA H 65 4.474 4.002 0.472 1
1 733 . 12 1 1 A 65 65 SER C C 65 174.435 173.253 1.182 1
1 734 . 12 1 1 A 65 65 SER CA C 65 58.837 59.213 -0.376 1
1 735 . 12 1 1 A 65 65 SER CB C 65 63.947 61.787 2.160 1
1 736 . 12 1 1 A 65 65 SER N N 65 115.352 113.569 1.783 1
1 737 . 12 1 1 A 66 66 GLY H H 66 8.031 7.927 0.104 1
1 738 . 12 1 1 A 66 66 GLY HA2 H 66 4.068 4.180 -0.112 1
1 739 . 12 1 1 A 66 66 GLY C C 66 171.813 171.759 0.054 1
1 740 . 12 1 1 A 66 66 GLY CA C 66 44.800 44.161 0.639 1
1 741 . 12 1 1 A 66 66 GLY N N 66 110.503 106.705 3.798 1
1 742 . 12 1 1 A 67 67 PRO HA H 67 4.456 4.760 -0.304 1
1 747 . 12 1 1 A 67 67 PRO CA C 67 63.352 62.722 0.630 1
1 748 . 12 1 1 A 67 67 PRO CB C 67 32.167 31.828 0.339 1
1 751 . 12 1 1 A 68 68 SER HA H 68 4.457 4.952 -0.495 1
1 754 . 12 1 1 A 68 68 SER C C 68 174.654 172.278 2.376 1
1 755 . 12 1 1 A 68 68 SER CA C 68 58.612 57.430 1.182 1
1 756 . 12 1 1 A 68 68 SER CB C 68 63.845 65.246 -1.401 1
1 757 . 12 1 1 A 69 69 SER HA H 69 4.491 4.861 -0.370 1
1 760 . 12 1 1 A 69 69 SER C C 69 173.925 174.514 -0.589 1
1 761 . 12 1 1 A 69 69 SER CA C 69 58.423 56.898 1.525 1
1 762 . 12 1 1 A 69 69 SER CB C 69 63.969 65.624 -1.655 1
1 1 . 13 1 1 A 10 10 HIS HA H 10 4.605 4.414 0.191 1
1 5 . 13 1 1 A 10 10 HIS CA C 10 56.397 57.757 -1.360 1
1 6 . 13 1 1 A 10 10 HIS CB C 10 29.857 30.444 -0.587 1
1 8 . 13 1 1 A 12 12 THR HA H 12 4.305 4.965 -0.660 1
1 13 . 13 1 1 A 12 12 THR C C 12 173.925 172.858 1.067 1
1 14 . 13 1 1 A 12 12 THR CA C 12 62.068 59.178 2.890 1
1 15 . 13 1 1 A 12 12 THR CB C 12 69.817 71.953 -2.136 1
1 17 . 13 1 1 A 13 13 ILE H H 13 8.188 8.631 -0.443 1
1 18 . 13 1 1 A 13 13 ILE HA H 13 4.139 4.405 -0.266 1
1 28 . 13 1 1 A 13 13 ILE C C 13 175.795 175.953 -0.158 1
1 29 . 13 1 1 A 13 13 ILE CA C 13 61.202 60.409 0.793 1
1 30 . 13 1 1 A 13 13 ILE CB C 13 38.686 37.755 0.931 1
1 34 . 13 1 1 A 13 13 ILE N N 13 123.673 123.697 -0.024 1
1 35 . 13 1 1 A 14 14 PHE H H 14 8.178 8.713 -0.535 1
1 36 . 13 1 1 A 14 14 PHE HA H 14 4.977 4.823 0.154 1
1 44 . 13 1 1 A 14 14 PHE C C 14 176.475 175.811 0.664 1
1 45 . 13 1 1 A 14 14 PHE CA C 14 57.025 57.764 -0.739 1
1 46 . 13 1 1 A 14 14 PHE CB C 14 41.482 40.895 0.587 1
1 52 . 13 1 1 A 14 14 PHE N N 14 122.586 127.057 -4.471 1
1 53 . 13 1 1 A 15 15 THR H H 15 8.792 8.932 -0.140 1
1 54 . 13 1 1 A 15 15 THR HA H 15 4.462 4.713 -0.251 1
1 59 . 13 1 1 A 15 15 THR C C 15 175.261 175.562 -0.301 1
1 60 . 13 1 1 A 15 15 THR CA C 15 60.623 60.538 0.085 1
1 61 . 13 1 1 A 15 15 THR CB C 15 70.645 71.120 -0.475 1
1 63 . 13 1 1 A 15 15 THR N N 15 113.201 114.082 -0.881 1
1 64 . 13 1 1 A 16 16 ASP H H 16 9.018 9.071 -0.053 1
1 65 . 13 1 1 A 16 16 ASP HA H 16 4.371 4.221 0.150 1
1 68 . 13 1 1 A 16 16 ASP C C 16 178.806 178.296 0.510 1
1 69 . 13 1 1 A 16 16 ASP CA C 16 58.163 58.041 0.122 1
1 70 . 13 1 1 A 16 16 ASP CB C 16 39.689 40.363 -0.674 1
1 71 . 13 1 1 A 16 16 ASP N N 16 121.802 122.685 -0.883 1
1 72 . 13 1 1 A 17 17 GLU H H 17 8.785 8.354 0.431 1
1 73 . 13 1 1 A 17 17 GLU HA H 17 4.054 3.920 0.134 1
1 78 . 13 1 1 A 17 17 GLU C C 17 180.044 179.185 0.859 1
1 79 . 13 1 1 A 17 17 GLU CA C 17 59.706 59.768 -0.062 1
1 80 . 13 1 1 A 17 17 GLU CB C 17 29.520 28.862 0.658 1
1 82 . 13 1 1 A 17 17 GLU N N 17 119.474 120.258 -0.784 1
1 83 . 13 1 1 A 18 18 GLN H H 18 7.700 7.605 0.095 1
1 84 . 13 1 1 A 18 18 GLN HA H 18 3.665 3.619 0.046 1
1 91 . 13 1 1 A 18 18 GLN C C 18 177.009 178.833 -1.824 1
1 92 . 13 1 1 A 18 18 GLN CA C 18 59.354 59.070 0.284 1
1 93 . 13 1 1 A 18 18 GLN CB C 18 27.377 27.937 -0.560 1
1 95 . 13 1 1 A 18 18 GLN N N 18 119.784 119.080 0.704 1
1 97 . 13 1 1 A 19 19 LEU H H 19 8.383 8.319 0.064 1
1 98 . 13 1 1 A 19 19 LEU HA H 19 3.585 3.627 -0.042 1
1 108 . 13 1 1 A 19 19 LEU C C 19 178.830 179.144 -0.314 1
1 109 . 13 1 1 A 19 19 LEU CA C 19 57.908 57.803 0.105 1
1 110 . 13 1 1 A 19 19 LEU CB C 19 41.703 41.229 0.474 1
1 114 . 13 1 1 A 19 19 LEU N N 19 117.889 119.206 -1.317 1
1 115 . 13 1 1 A 20 20 GLU H H 20 8.119 8.611 -0.492 1
1 116 . 13 1 1 A 20 20 GLU HA H 20 3.897 3.977 -0.080 1
1 121 . 13 1 1 A 20 20 GLU C C 20 178.126 178.478 -0.352 1
1 122 . 13 1 1 A 20 20 GLU CA C 20 59.248 59.261 -0.013 1
1 123 . 13 1 1 A 20 20 GLU CB C 20 29.697 29.148 0.549 1
1 125 . 13 1 1 A 20 20 GLU N N 20 118.697 120.910 -2.213 1
1 126 . 13 1 1 A 21 21 ALA H H 21 7.309 7.913 -0.604 1
1 127 . 13 1 1 A 21 21 ALA HA H 21 4.057 4.071 -0.014 1
1 131 . 13 1 1 A 21 21 ALA C C 21 180.773 180.224 0.549 1
1 132 . 13 1 1 A 21 21 ALA CA C 21 54.947 55.264 -0.317 1
1 133 . 13 1 1 A 21 21 ALA CB C 21 18.888 17.989 0.899 1
1 134 . 13 1 1 A 21 21 ALA N N 21 120.540 121.348 -0.808 1
1 135 . 13 1 1 A 22 22 LEU H H 22 8.070 7.996 0.074 1
1 136 . 13 1 1 A 22 22 LEU HA H 22 3.428 3.800 -0.372 1
1 146 . 13 1 1 A 22 22 LEU C C 22 177.131 179.217 -2.086 1
1 147 . 13 1 1 A 22 22 LEU CA C 22 58.408 57.846 0.562 1
1 148 . 13 1 1 A 22 22 LEU CB C 22 38.173 40.671 -2.498 1
1 152 . 13 1 1 A 22 22 LEU N N 22 121.563 117.966 3.597 1
1 153 . 13 1 1 A 23 23 GLU H H 23 7.997 8.114 -0.117 1
1 154 . 13 1 1 A 23 23 GLU HA H 23 4.289 4.233 0.056 1
1 159 . 13 1 1 A 23 23 GLU C C 23 179.510 179.521 -0.011 1
1 160 . 13 1 1 A 23 23 GLU CA C 23 58.734 59.645 -0.911 1
1 161 . 13 1 1 A 23 23 GLU CB C 23 28.879 28.906 -0.027 1
1 163 . 13 1 1 A 23 23 GLU N N 23 118.641 117.197 1.444 1
1 164 . 13 1 1 A 24 24 ASN H H 24 8.282 8.119 0.163 1
1 165 . 13 1 1 A 24 24 ASN HA H 24 4.443 4.594 -0.151 1
1 170 . 13 1 1 A 24 24 ASN C C 24 178.563 177.979 0.584 1
1 171 . 13 1 1 A 24 24 ASN CA C 24 56.145 55.952 0.193 1
1 172 . 13 1 1 A 24 24 ASN CB C 24 38.055 38.514 -0.459 1
1 173 . 13 1 1 A 24 24 ASN N N 24 117.495 118.576 -1.081 1
1 175 . 13 1 1 A 25 25 LEU H H 25 7.852 7.799 0.053 1
1 176 . 13 1 1 A 25 25 LEU HA H 25 4.445 4.293 0.152 1
1 186 . 13 1 1 A 25 25 LEU C C 25 177.276 178.373 -1.097 1
1 187 . 13 1 1 A 25 25 LEU CA C 25 57.963 57.468 0.495 1
1 188 . 13 1 1 A 25 25 LEU CB C 25 40.400 42.442 -2.042 1
1 192 . 13 1 1 A 25 25 LEU N N 25 121.261 121.292 -0.031 1
1 193 . 13 1 1 A 26 26 PHE H H 26 8.711 8.747 -0.036 1
1 194 . 13 1 1 A 26 26 PHE HA H 26 4.628 4.279 0.349 1
1 202 . 13 1 1 A 26 26 PHE C C 26 176.232 177.576 -1.344 1
1 203 . 13 1 1 A 26 26 PHE CA C 26 61.011 61.044 -0.033 1
1 204 . 13 1 1 A 26 26 PHE CB C 26 38.906 38.947 -0.041 1
1 210 . 13 1 1 A 26 26 PHE N N 26 120.816 119.515 1.301 1
1 211 . 13 1 1 A 27 27 GLN H H 27 8.007 7.955 0.052 1
1 212 . 13 1 1 A 27 27 GLN HA H 27 3.665 3.834 -0.169 1
1 219 . 13 1 1 A 27 27 GLN C C 27 177.106 178.632 -1.526 1
1 220 . 13 1 1 A 27 27 GLN CA C 27 57.892 59.386 -1.494 1
1 221 . 13 1 1 A 27 27 GLN CB C 27 28.195 28.838 -0.643 1
1 223 . 13 1 1 A 27 27 GLN N N 27 114.037 117.858 -3.821 1
1 225 . 13 1 1 A 28 28 GLU H H 28 7.467 8.530 -1.063 1
1 226 . 13 1 1 A 28 28 GLU HA H 28 4.190 4.176 0.014 1
1 231 . 13 1 1 A 28 28 GLU C C 28 177.106 176.121 0.985 1
1 232 . 13 1 1 A 28 28 GLU CA C 28 58.138 58.947 -0.809 1
1 233 . 13 1 1 A 28 28 GLU CB C 28 30.756 28.997 1.759 1
1 235 . 13 1 1 A 28 28 GLU N N 28 119.193 117.249 1.944 1
1 236 . 13 1 1 A 29 29 THR H H 29 8.971 8.028 0.943 1
1 237 . 13 1 1 A 29 29 THR HA H 29 4.321 4.683 -0.362 1
1 242 . 13 1 1 A 29 29 THR C C 29 170.526 173.376 -2.850 1
1 243 . 13 1 1 A 29 29 THR CA C 29 59.885 60.013 -0.128 1
1 244 . 13 1 1 A 29 29 THR CB C 29 69.656 70.839 -1.183 1
1 246 . 13 1 1 A 29 29 THR N N 29 116.904 113.252 3.652 1
1 247 . 13 1 1 A 30 30 LYS H H 30 7.942 8.561 -0.619 1
1 248 . 13 1 1 A 30 30 LYS HA H 30 3.765 3.835 -0.070 1
1 257 . 13 1 1 A 30 30 LYS C C 30 175.844 176.205 -0.361 1
1 258 . 13 1 1 A 30 30 LYS CA C 30 56.583 57.344 -0.761 1
1 259 . 13 1 1 A 30 30 LYS CB C 30 32.421 32.658 -0.237 1
1 263 . 13 1 1 A 30 30 LYS N N 30 123.132 125.212 -2.080 1
1 264 . 13 1 1 A 31 31 TYR H H 31 7.788 7.856 -0.068 1
1 265 . 13 1 1 A 31 31 TYR HA H 31 4.608 5.108 -0.500 1
1 272 . 13 1 1 A 31 31 TYR C C 31 172.687 173.246 -0.559 1
1 273 . 13 1 1 A 31 31 TYR CA C 31 54.864 54.757 0.107 1
1 274 . 13 1 1 A 31 31 TYR CB C 31 38.777 39.231 -0.454 1
1 279 . 13 1 1 A 31 31 TYR N N 31 113.626 117.130 -3.504 1
1 280 . 13 1 1 A 32 32 PRO HA H 32 4.399 4.614 -0.215 1
1 287 . 13 1 1 A 32 32 PRO C C 32 177.203 175.154 2.049 1
1 288 . 13 1 1 A 32 32 PRO CA C 32 62.668 62.269 0.399 1
1 289 . 13 1 1 A 32 32 PRO CB C 32 31.394 32.704 -1.310 1
1 292 . 13 1 1 A 33 33 ASP H H 33 8.548 8.370 0.178 1
1 293 . 13 1 1 A 33 33 ASP HA H 33 4.473 5.105 -0.632 1
1 296 . 13 1 1 A 33 33 ASP C C 33 175.989 177.228 -1.239 1
1 297 . 13 1 1 A 33 33 ASP CA C 33 52.775 52.444 0.331 1
1 298 . 13 1 1 A 33 33 ASP CB C 33 41.295 43.929 -2.634 1
1 299 . 13 1 1 A 33 33 ASP N N 33 123.152 120.215 2.937 1
1 300 . 13 1 1 A 34 34 VAL H H 34 8.493 8.576 -0.083 1
1 301 . 13 1 1 A 34 34 VAL HA H 34 3.522 3.774 -0.252 1
1 309 . 13 1 1 A 34 34 VAL C C 34 177.203 177.981 -0.778 1
1 310 . 13 1 1 A 34 34 VAL CA C 34 66.618 65.777 0.841 1
1 311 . 13 1 1 A 34 34 VAL CB C 34 31.697 31.653 0.044 1
1 314 . 13 1 1 A 34 34 VAL N N 34 119.474 124.554 -5.080 1
1 315 . 13 1 1 A 35 35 GLY H H 35 8.389 8.062 0.327 1
1 316 . 13 1 1 A 35 35 GLY HA2 H 35 3.901 3.792 0.109 1
1 317 . 13 1 1 A 35 35 GLY HA3 H 35 3.901 3.794 0.107 1
1 318 . 13 1 1 A 35 35 GLY C C 35 176.985 176.397 0.588 1
1 319 . 13 1 1 A 35 35 GLY CA C 35 46.976 47.496 -0.520 1
1 320 . 13 1 1 A 35 35 GLY N N 35 109.478 108.819 0.659 1
1 321 . 13 1 1 A 36 36 THR H H 36 8.142 7.961 0.181 1
1 322 . 13 1 1 A 36 36 THR HA H 36 3.918 4.024 -0.106 1
1 327 . 13 1 1 A 36 36 THR C C 36 177.616 176.621 0.995 1
1 328 . 13 1 1 A 36 36 THR CA C 36 66.957 66.154 0.803 1
1 329 . 13 1 1 A 36 36 THR CB C 36 67.887 68.142 -0.255 1
1 331 . 13 1 1 A 36 36 THR N N 36 121.210 117.670 3.540 1
1 332 . 13 1 1 A 37 37 ARG H H 37 8.396 8.236 0.160 1
1 333 . 13 1 1 A 37 37 ARG HA H 37 3.712 3.944 -0.232 1
1 341 . 13 1 1 A 37 37 ARG C C 37 177.980 179.100 -1.120 1
1 342 . 13 1 1 A 37 37 ARG CA C 37 61.187 59.527 1.660 1
1 343 . 13 1 1 A 37 37 ARG CB C 37 31.250 29.912 1.338 1
1 346 . 13 1 1 A 37 37 ARG N N 37 121.196 120.405 0.791 1
1 348 . 13 1 1 A 38 38 GLU H H 38 8.843 8.315 0.528 1
1 349 . 13 1 1 A 38 38 GLU HA H 38 3.905 4.050 -0.145 1
1 354 . 13 1 1 A 38 38 GLU C C 38 178.636 178.982 -0.346 1
1 355 . 13 1 1 A 38 38 GLU CA C 38 59.797 59.063 0.734 1
1 356 . 13 1 1 A 38 38 GLU CB C 38 29.529 29.047 0.482 1
1 358 . 13 1 1 A 38 38 GLU N N 38 119.875 119.499 0.376 1
1 359 . 13 1 1 A 39 39 GLN H H 39 7.939 7.549 0.390 1
1 360 . 13 1 1 A 39 39 GLN HA H 39 3.977 3.976 0.001 1
1 367 . 13 1 1 A 39 39 GLN C C 39 178.782 177.926 0.856 1
1 368 . 13 1 1 A 39 39 GLN CA C 39 59.078 58.944 0.134 1
1 369 . 13 1 1 A 39 39 GLN CB C 39 28.426 28.470 -0.044 1
1 371 . 13 1 1 A 39 39 GLN N N 39 118.456 118.999 -0.543 1
1 373 . 13 1 1 A 40 40 LEU H H 40 7.515 8.273 -0.758 1
1 374 . 13 1 1 A 40 40 LEU HA H 40 4.129 4.030 0.099 1
1 384 . 13 1 1 A 40 40 LEU C C 40 178.150 178.172 -0.022 1
1 385 . 13 1 1 A 40 40 LEU CA C 40 58.273 58.253 0.020 1
1 386 . 13 1 1 A 40 40 LEU CB C 40 41.194 41.458 -0.264 1
1 390 . 13 1 1 A 40 40 LEU N N 40 121.414 122.020 -0.606 1
1 391 . 13 1 1 A 41 41 ALA H H 41 8.577 8.626 -0.049 1
1 392 . 13 1 1 A 41 41 ALA HA H 41 3.650 4.020 -0.370 1
1 396 . 13 1 1 A 41 41 ALA C C 41 179.559 180.348 -0.789 1
1 397 . 13 1 1 A 41 41 ALA CA C 41 55.925 55.523 0.402 1
1 398 . 13 1 1 A 41 41 ALA CB C 41 17.487 18.646 -1.159 1
1 399 . 13 1 1 A 41 41 ALA N N 41 121.362 120.758 0.604 1
1 400 . 13 1 1 A 42 42 ARG H H 42 7.986 7.866 0.120 1
1 401 . 13 1 1 A 42 42 ARG HA H 42 4.083 4.021 0.062 1
1 408 . 13 1 1 A 42 42 ARG C C 42 179.000 178.792 0.208 1
1 409 . 13 1 1 A 42 42 ARG CA C 42 58.578 59.740 -1.162 1
1 410 . 13 1 1 A 42 42 ARG CB C 42 30.495 29.995 0.500 1
1 413 . 13 1 1 A 42 42 ARG N N 42 114.579 117.567 -2.988 1
1 414 . 13 1 1 A 43 43 LYS H H 43 7.706 7.769 -0.063 1
1 415 . 13 1 1 A 43 43 LYS HA H 43 4.023 4.166 -0.143 1
1 424 . 13 1 1 A 43 43 LYS C C 43 178.248 178.588 -0.340 1
1 425 . 13 1 1 A 43 43 LYS CA C 43 59.177 59.017 0.160 1
1 426 . 13 1 1 A 43 43 LYS CB C 43 33.134 32.466 0.668 1
1 430 . 13 1 1 A 43 43 LYS N N 43 119.896 120.301 -0.405 1
1 431 . 13 1 1 A 44 44 VAL H H 44 7.681 7.897 -0.216 1
1 432 . 13 1 1 A 44 44 VAL HA H 44 4.522 4.269 0.253 1
1 440 . 13 1 1 A 44 44 VAL C C 44 174.654 174.920 -0.266 1
1 441 . 13 1 1 A 44 44 VAL CA C 44 59.912 61.459 -1.547 1
1 442 . 13 1 1 A 44 44 VAL CB C 44 30.979 31.574 -0.595 1
1 445 . 13 1 1 A 44 44 VAL N N 44 105.042 110.581 -5.539 1
1 446 . 13 1 1 A 45 45 HIS H H 45 7.398 7.929 -0.531 1
1 447 . 13 1 1 A 45 45 HIS HA H 45 4.293 4.174 0.119 1
1 451 . 13 1 1 A 45 45 HIS C C 45 174.144 173.919 0.225 1
1 452 . 13 1 1 A 45 45 HIS CA C 45 56.956 56.617 0.339 1
1 453 . 13 1 1 A 45 45 HIS CB C 45 26.353 26.579 -0.226 1
1 455 . 13 1 1 A 45 45 HIS N N 45 117.892 116.034 1.858 1
1 456 . 13 1 1 A 46 46 LEU H H 46 8.571 7.890 0.681 1
1 457 . 13 1 1 A 46 46 LEU HA H 46 4.855 4.896 -0.041 1
1 467 . 13 1 1 A 46 46 LEU C C 46 176.256 175.219 1.037 1
1 468 . 13 1 1 A 46 46 LEU CA C 46 52.689 53.300 -0.611 1
1 469 . 13 1 1 A 46 46 LEU CB C 46 47.746 45.763 1.983 1
1 473 . 13 1 1 A 46 46 LEU N N 46 119.288 118.645 0.643 1
1 474 . 13 1 1 A 47 47 ARG H H 47 7.979 8.773 -0.794 1
1 475 . 13 1 1 A 47 47 ARG HA H 47 4.439 4.462 -0.023 1
1 482 . 13 1 1 A 47 47 ARG C C 47 178.830 177.529 1.301 1
1 483 . 13 1 1 A 47 47 ARG CA C 47 55.871 55.152 0.719 1
1 484 . 13 1 1 A 47 47 ARG CB C 47 30.838 31.871 -1.033 1
1 487 . 13 1 1 A 47 47 ARG N N 47 119.085 120.362 -1.277 1
1 488 . 13 1 1 A 48 48 GLU H H 48 9.642 8.729 0.913 1
1 489 . 13 1 1 A 48 48 GLU HA H 48 3.644 3.930 -0.286 1
1 494 . 13 1 1 A 48 48 GLU C C 48 178.515 178.356 0.159 1
1 495 . 13 1 1 A 48 48 GLU CA C 48 61.612 59.509 2.103 1
1 496 . 13 1 1 A 48 48 GLU CB C 48 28.860 29.355 -0.495 1
1 498 . 13 1 1 A 48 48 GLU N N 48 125.963 122.900 3.063 1
1 499 . 13 1 1 A 49 49 GLU H H 49 9.638 8.359 1.279 1
1 500 . 13 1 1 A 49 49 GLU HA H 49 4.239 4.084 0.155 1
1 505 . 13 1 1 A 49 49 GLU C C 49 178.927 178.998 -0.071 1
1 506 . 13 1 1 A 49 49 GLU CA C 49 59.681 59.398 0.283 1
1 507 . 13 1 1 A 49 49 GLU CB C 49 28.531 29.407 -0.876 1
1 509 . 13 1 1 A 49 49 GLU N N 49 118.929 118.347 0.582 1
1 510 . 13 1 1 A 50 50 LYS H H 50 7.398 7.824 -0.426 1
1 511 . 13 1 1 A 50 50 LYS HA H 50 4.318 4.098 0.220 1
1 520 . 13 1 1 A 50 50 LYS C C 50 179.486 179.260 0.226 1
1 521 . 13 1 1 A 50 50 LYS CA C 50 58.084 59.300 -1.216 1
1 522 . 13 1 1 A 50 50 LYS CB C 50 32.487 32.520 -0.033 1
1 526 . 13 1 1 A 50 50 LYS N N 50 117.569 119.905 -2.336 1
1 527 . 13 1 1 A 51 51 VAL H H 51 7.614 7.884 -0.270 1
1 528 . 13 1 1 A 51 51 VAL HA H 51 3.739 3.569 0.170 1
1 536 . 13 1 1 A 51 51 VAL C C 51 177.641 178.328 -0.687 1
1 537 . 13 1 1 A 51 51 VAL CA C 51 66.900 67.112 -0.212 1
1 538 . 13 1 1 A 51 51 VAL CB C 51 31.876 31.375 0.501 1
1 541 . 13 1 1 A 51 51 VAL N N 51 120.291 120.223 0.068 1
1 542 . 13 1 1 A 52 52 GLU H H 52 8.274 7.649 0.625 1
1 543 . 13 1 1 A 52 52 GLU HA H 52 4.198 4.090 0.108 1
1 547 . 13 1 1 A 52 52 GLU C C 52 179.073 178.895 0.178 1
1 548 . 13 1 1 A 52 52 GLU CA C 52 60.434 59.054 1.380 1
1 549 . 13 1 1 A 52 52 GLU CB C 52 29.073 29.310 -0.237 1
1 551 . 13 1 1 A 52 52 GLU N N 52 120.105 120.232 -0.127 1
1 552 . 13 1 1 A 53 53 VAL H H 53 7.936 7.872 0.064 1
1 553 . 13 1 1 A 53 53 VAL HA H 53 3.692 3.761 -0.069 1
1 561 . 13 1 1 A 53 53 VAL C C 53 177.592 178.473 -0.881 1
1 562 . 13 1 1 A 53 53 VAL CA C 53 66.935 66.530 0.405 1
1 563 . 13 1 1 A 53 53 VAL CB C 53 32.273 31.856 0.417 1
1 566 . 13 1 1 A 53 53 VAL N N 53 119.238 119.040 0.198 1
1 567 . 13 1 1 A 54 54 TRP H H 54 8.321 8.151 0.170 1
1 568 . 13 1 1 A 54 54 TRP HA H 54 4.083 4.392 -0.309 1
1 577 . 13 1 1 A 54 54 TRP C C 54 179.802 178.242 1.560 1
1 578 . 13 1 1 A 54 54 TRP CA C 54 63.129 61.376 1.753 1
1 579 . 13 1 1 A 54 54 TRP CB C 54 28.635 30.018 -1.383 1
1 585 . 13 1 1 A 54 54 TRP N N 54 121.382 121.660 -0.278 1
1 587 . 13 1 1 A 55 55 PHE H H 55 8.834 8.317 0.517 1
1 588 . 13 1 1 A 55 55 PHE HA H 55 3.676 4.093 -0.417 1
1 596 . 13 1 1 A 55 55 PHE C C 55 178.150 178.114 0.036 1
1 597 . 13 1 1 A 55 55 PHE CA C 55 64.096 61.387 2.709 1
1 598 . 13 1 1 A 55 55 PHE CB C 55 39.358 38.669 0.689 1
1 604 . 13 1 1 A 55 55 PHE N N 55 118.755 117.709 1.046 1
1 605 . 13 1 1 A 56 56 LYS H H 56 8.241 7.721 0.520 1
1 606 . 13 1 1 A 56 56 LYS HA H 56 3.977 4.297 -0.320 1
1 612 . 13 1 1 A 56 56 LYS C C 56 180.166 178.924 1.242 1
1 613 . 13 1 1 A 56 56 LYS CA C 56 60.744 58.387 2.357 1
1 614 . 13 1 1 A 56 56 LYS CB C 56 32.322 33.456 -1.134 1
1 618 . 13 1 1 A 56 56 LYS N N 56 120.065 120.615 -0.550 1
1 619 . 13 1 1 A 57 57 ASN H H 57 8.084 8.380 -0.296 1
1 620 . 13 1 1 A 57 57 ASN HA H 57 4.367 4.335 0.032 1
1 625 . 13 1 1 A 57 57 ASN C C 57 177.422 177.381 0.041 1
1 626 . 13 1 1 A 57 57 ASN CA C 57 55.660 55.710 -0.050 1
1 627 . 13 1 1 A 57 57 ASN CB C 57 38.008 37.283 0.725 1
1 628 . 13 1 1 A 57 57 ASN N N 57 118.967 117.052 1.915 1
1 630 . 13 1 1 A 58 58 ARG H H 58 8.575 7.915 0.660 1
1 631 . 13 1 1 A 58 58 ARG HA H 58 3.463 3.559 -0.096 1
1 639 . 13 1 1 A 58 58 ARG C C 58 180.044 178.085 1.959 1
1 640 . 13 1 1 A 58 58 ARG CA C 58 56.568 58.681 -2.113 1
1 641 . 13 1 1 A 58 58 ARG CB C 58 28.155 28.797 -0.642 1
1 644 . 13 1 1 A 58 58 ARG N N 58 124.441 119.602 4.839 1
1 646 . 13 1 1 A 59 59 ARG H H 59 8.490 7.489 1.001 1
1 647 . 13 1 1 A 59 59 ARG HA H 59 4.334 3.997 0.337 1
1 653 . 13 1 1 A 59 59 ARG C C 59 178.223 178.321 -0.098 1
1 654 . 13 1 1 A 59 59 ARG CA C 59 60.699 59.336 1.363 1
1 655 . 13 1 1 A 59 59 ARG CB C 59 31.905 30.130 1.775 1
1 658 . 13 1 1 A 59 59 ARG N N 59 118.847 119.452 -0.605 1
1 659 . 13 1 1 A 60 60 ALA H H 60 7.459 7.572 -0.113 1
1 660 . 13 1 1 A 60 60 ALA HA H 60 4.225 4.149 0.076 1
1 664 . 13 1 1 A 60 60 ALA C C 60 179.680 179.671 0.009 1
1 665 . 13 1 1 A 60 60 ALA CA C 60 55.051 55.105 -0.054 1
1 666 . 13 1 1 A 60 60 ALA CB C 60 17.817 18.443 -0.626 1
1 667 . 13 1 1 A 60 60 ALA N N 60 121.387 121.049 0.338 1
1 668 . 13 1 1 A 61 61 LYS H H 61 7.452 7.589 -0.137 1
1 669 . 13 1 1 A 61 61 LYS HA H 61 4.042 4.025 0.017 1
1 676 . 13 1 1 A 61 61 LYS C C 61 178.078 178.983 -0.905 1
1 677 . 13 1 1 A 61 61 LYS CA C 61 58.472 59.107 -0.635 1
1 678 . 13 1 1 A 61 61 LYS CB C 61 32.734 31.960 0.774 1
1 682 . 13 1 1 A 61 61 LYS N N 61 118.087 118.386 -0.299 1
1 683 . 13 1 1 A 62 62 TRP H H 62 8.008 8.025 -0.017 1
1 684 . 13 1 1 A 62 62 TRP HA H 62 4.632 4.305 0.327 1
1 693 . 13 1 1 A 62 62 TRP C C 62 177.471 177.978 -0.507 1
1 694 . 13 1 1 A 62 62 TRP CA C 62 59.120 60.654 -1.534 1
1 695 . 13 1 1 A 62 62 TRP CB C 62 29.366 29.792 -0.426 1
1 701 . 13 1 1 A 62 62 TRP N N 62 121.749 121.813 -0.064 1
1 703 . 13 1 1 A 63 63 ARG H H 63 8.286 8.640 -0.354 1
1 704 . 13 1 1 A 63 63 ARG HA H 63 3.736 3.500 0.236 1
1 711 . 13 1 1 A 63 63 ARG C C 63 176.888 178.314 -1.426 1
1 712 . 13 1 1 A 63 63 ARG CA C 63 57.385 58.837 -1.452 1
1 713 . 13 1 1 A 63 63 ARG CB C 63 30.726 30.320 0.406 1
1 716 . 13 1 1 A 63 63 ARG N N 63 119.622 118.935 0.687 1
1 717 . 13 1 1 A 64 64 ARG H H 64 7.670 7.835 -0.165 1
1 718 . 13 1 1 A 64 64 ARG HA H 64 4.196 4.009 0.187 1
1 723 . 13 1 1 A 64 64 ARG C C 64 176.645 178.377 -1.732 1
1 724 . 13 1 1 A 64 64 ARG CA C 64 56.956 59.361 -2.405 1
1 725 . 13 1 1 A 64 64 ARG CB C 64 30.369 29.845 0.524 1
1 728 . 13 1 1 A 64 64 ARG N N 64 119.096 119.838 -0.742 1
1 729 . 13 1 1 A 65 65 SER H H 65 7.962 8.267 -0.305 1
1 730 . 13 1 1 A 65 65 SER HA H 65 4.474 4.178 0.296 1
1 733 . 13 1 1 A 65 65 SER C C 65 174.435 176.068 -1.633 1
1 734 . 13 1 1 A 65 65 SER CA C 65 58.837 62.392 -3.555 1
1 735 . 13 1 1 A 65 65 SER CB C 65 63.947 62.607 1.340 1
1 736 . 13 1 1 A 65 65 SER N N 65 115.352 115.692 -0.340 1
1 737 . 13 1 1 A 66 66 GLY H H 66 8.031 7.890 0.141 1
1 738 . 13 1 1 A 66 66 GLY HA2 H 66 4.068 3.646 0.422 1
1 739 . 13 1 1 A 66 66 GLY C C 66 171.813 174.598 -2.785 1
1 740 . 13 1 1 A 66 66 GLY CA C 66 44.800 45.176 -0.376 1
1 741 . 13 1 1 A 66 66 GLY N N 66 110.503 107.961 2.542 1
1 742 . 13 1 1 A 67 67 PRO HA H 67 4.456 4.469 -0.013 1
1 747 . 13 1 1 A 67 67 PRO CA C 67 63.352 63.920 -0.568 1
1 748 . 13 1 1 A 67 67 PRO CB C 67 32.167 31.857 0.310 1
1 751 . 13 1 1 A 68 68 SER HA H 68 4.457 4.335 0.122 1
1 754 . 13 1 1 A 68 68 SER C C 68 174.654 174.462 0.192 1
1 755 . 13 1 1 A 68 68 SER CA C 68 58.612 59.929 -1.317 1
1 756 . 13 1 1 A 68 68 SER CB C 68 63.845 63.574 0.271 1
1 757 . 13 1 1 A 69 69 SER HA H 69 4.491 4.159 0.332 1
1 760 . 13 1 1 A 69 69 SER C C 69 173.925 174.690 -0.765 1
1 761 . 13 1 1 A 69 69 SER CA C 69 58.423 60.508 -2.085 1
1 762 . 13 1 1 A 69 69 SER CB C 69 63.969 63.588 0.381 1
1 1 . 14 1 1 A 10 10 HIS HA H 10 4.605 5.284 -0.679 1
1 5 . 14 1 1 A 10 10 HIS CA C 10 56.397 54.440 1.957 1
1 6 . 14 1 1 A 10 10 HIS CB C 10 29.857 33.514 -3.657 1
1 8 . 14 1 1 A 12 12 THR HA H 12 4.305 4.811 -0.506 1
1 13 . 14 1 1 A 12 12 THR C C 12 173.925 172.673 1.252 1
1 14 . 14 1 1 A 12 12 THR CA C 12 62.068 61.474 0.594 1
1 15 . 14 1 1 A 12 12 THR CB C 12 69.817 72.397 -2.580 1
1 17 . 14 1 1 A 13 13 ILE H H 13 8.188 8.738 -0.550 1
1 18 . 14 1 1 A 13 13 ILE HA H 13 4.139 4.694 -0.555 1
1 28 . 14 1 1 A 13 13 ILE C C 13 175.795 174.621 1.174 1
1 29 . 14 1 1 A 13 13 ILE CA C 13 61.202 61.038 0.164 1
1 30 . 14 1 1 A 13 13 ILE CB C 13 38.686 39.609 -0.923 1
1 34 . 14 1 1 A 13 13 ILE N N 13 123.673 129.427 -5.754 1
1 35 . 14 1 1 A 14 14 PHE H H 14 8.178 9.252 -1.074 1
1 36 . 14 1 1 A 14 14 PHE HA H 14 4.977 5.103 -0.126 1
1 44 . 14 1 1 A 14 14 PHE C C 14 176.475 175.394 1.081 1
1 45 . 14 1 1 A 14 14 PHE CA C 14 57.025 56.473 0.552 1
1 46 . 14 1 1 A 14 14 PHE CB C 14 41.482 43.387 -1.905 1
1 52 . 14 1 1 A 14 14 PHE N N 14 122.586 127.144 -4.558 1
1 53 . 14 1 1 A 15 15 THR H H 15 8.792 9.121 -0.329 1
1 54 . 14 1 1 A 15 15 THR HA H 15 4.462 4.739 -0.277 1
1 59 . 14 1 1 A 15 15 THR C C 15 175.261 175.703 -0.442 1
1 60 . 14 1 1 A 15 15 THR CA C 15 60.623 60.251 0.372 1
1 61 . 14 1 1 A 15 15 THR CB C 15 70.645 71.206 -0.561 1
1 63 . 14 1 1 A 15 15 THR N N 15 113.201 113.902 -0.701 1
1 64 . 14 1 1 A 16 16 ASP H H 16 9.018 9.054 -0.036 1
1 65 . 14 1 1 A 16 16 ASP HA H 16 4.371 4.232 0.139 1
1 68 . 14 1 1 A 16 16 ASP C C 16 178.806 178.302 0.504 1
1 69 . 14 1 1 A 16 16 ASP CA C 16 58.163 58.006 0.157 1
1 70 . 14 1 1 A 16 16 ASP CB C 16 39.689 40.402 -0.713 1
1 71 . 14 1 1 A 16 16 ASP N N 16 121.802 122.811 -1.009 1
1 72 . 14 1 1 A 17 17 GLU H H 17 8.785 8.298 0.487 1
1 73 . 14 1 1 A 17 17 GLU HA H 17 4.054 3.933 0.121 1
1 78 . 14 1 1 A 17 17 GLU C C 17 180.044 178.800 1.244 1
1 79 . 14 1 1 A 17 17 GLU CA C 17 59.706 59.778 -0.072 1
1 80 . 14 1 1 A 17 17 GLU CB C 17 29.520 29.085 0.435 1
1 82 . 14 1 1 A 17 17 GLU N N 17 119.474 120.403 -0.929 1
1 83 . 14 1 1 A 18 18 GLN H H 18 7.700 7.788 -0.088 1
1 84 . 14 1 1 A 18 18 GLN HA H 18 3.665 3.858 -0.193 1
1 91 . 14 1 1 A 18 18 GLN C C 18 177.009 178.698 -1.689 1
1 92 . 14 1 1 A 18 18 GLN CA C 18 59.354 59.170 0.184 1
1 93 . 14 1 1 A 18 18 GLN CB C 18 27.377 28.151 -0.774 1
1 95 . 14 1 1 A 18 18 GLN N N 18 119.784 118.301 1.483 1
1 97 . 14 1 1 A 19 19 LEU H H 19 8.383 8.347 0.036 1
1 98 . 14 1 1 A 19 19 LEU HA H 19 3.585 3.526 0.059 1
1 108 . 14 1 1 A 19 19 LEU C C 19 178.830 178.364 0.466 1
1 109 . 14 1 1 A 19 19 LEU CA C 19 57.908 57.703 0.205 1
1 110 . 14 1 1 A 19 19 LEU CB C 19 41.703 41.068 0.635 1
1 114 . 14 1 1 A 19 19 LEU N N 19 117.889 119.500 -1.611 1
1 115 . 14 1 1 A 20 20 GLU H H 20 8.119 8.598 -0.479 1
1 116 . 14 1 1 A 20 20 GLU HA H 20 3.897 3.979 -0.082 1
1 121 . 14 1 1 A 20 20 GLU C C 20 178.126 178.640 -0.514 1
1 122 . 14 1 1 A 20 20 GLU CA C 20 59.248 59.612 -0.364 1
1 123 . 14 1 1 A 20 20 GLU CB C 20 29.697 29.494 0.203 1
1 125 . 14 1 1 A 20 20 GLU N N 20 118.697 119.096 -0.399 1
1 126 . 14 1 1 A 21 21 ALA H H 21 7.309 7.524 -0.215 1
1 127 . 14 1 1 A 21 21 ALA HA H 21 4.057 4.087 -0.030 1
1 131 . 14 1 1 A 21 21 ALA C C 21 180.773 179.504 1.269 1
1 132 . 14 1 1 A 21 21 ALA CA C 21 54.947 55.140 -0.193 1
1 133 . 14 1 1 A 21 21 ALA CB C 21 18.888 18.705 0.183 1
1 134 . 14 1 1 A 21 21 ALA N N 21 120.540 121.038 -0.498 1
1 135 . 14 1 1 A 22 22 LEU H H 22 8.070 7.744 0.326 1
1 136 . 14 1 1 A 22 22 LEU HA H 22 3.428 3.807 -0.379 1
1 146 . 14 1 1 A 22 22 LEU C C 22 177.131 179.281 -2.150 1
1 147 . 14 1 1 A 22 22 LEU CA C 22 58.408 57.655 0.753 1
1 148 . 14 1 1 A 22 22 LEU CB C 22 38.173 40.447 -2.274 1
1 152 . 14 1 1 A 22 22 LEU N N 22 121.563 117.565 3.998 1
1 153 . 14 1 1 A 23 23 GLU H H 23 7.997 8.186 -0.189 1
1 154 . 14 1 1 A 23 23 GLU HA H 23 4.289 4.109 0.180 1
1 159 . 14 1 1 A 23 23 GLU C C 23 179.510 179.462 0.048 1
1 160 . 14 1 1 A 23 23 GLU CA C 23 58.734 59.749 -1.015 1
1 161 . 14 1 1 A 23 23 GLU CB C 23 28.879 29.710 -0.831 1
1 163 . 14 1 1 A 23 23 GLU N N 23 118.641 118.468 0.173 1
1 164 . 14 1 1 A 24 24 ASN H H 24 8.282 8.416 -0.134 1
1 165 . 14 1 1 A 24 24 ASN HA H 24 4.443 4.528 -0.085 1
1 170 . 14 1 1 A 24 24 ASN C C 24 178.563 177.761 0.802 1
1 171 . 14 1 1 A 24 24 ASN CA C 24 56.145 56.398 -0.253 1
1 172 . 14 1 1 A 24 24 ASN CB C 24 38.055 38.120 -0.065 1
1 173 . 14 1 1 A 24 24 ASN N N 24 117.495 118.502 -1.007 1
1 175 . 14 1 1 A 25 25 LEU H H 25 7.852 8.069 -0.217 1
1 176 . 14 1 1 A 25 25 LEU HA H 25 4.445 4.572 -0.127 1
1 186 . 14 1 1 A 25 25 LEU C C 25 177.276 178.278 -1.002 1
1 187 . 14 1 1 A 25 25 LEU CA C 25 57.963 57.400 0.563 1
1 188 . 14 1 1 A 25 25 LEU CB C 25 40.400 42.476 -2.076 1
1 192 . 14 1 1 A 25 25 LEU N N 25 121.261 120.638 0.623 1
1 193 . 14 1 1 A 26 26 PHE H H 26 8.711 8.800 -0.089 1
1 194 . 14 1 1 A 26 26 PHE HA H 26 4.628 4.287 0.341 1
1 202 . 14 1 1 A 26 26 PHE C C 26 176.232 177.785 -1.553 1
1 203 . 14 1 1 A 26 26 PHE CA C 26 61.011 60.912 0.099 1
1 204 . 14 1 1 A 26 26 PHE CB C 26 38.906 38.791 0.115 1
1 210 . 14 1 1 A 26 26 PHE N N 26 120.816 119.358 1.458 1
1 211 . 14 1 1 A 27 27 GLN H H 27 8.007 8.220 -0.213 1
1 212 . 14 1 1 A 27 27 GLN HA H 27 3.665 3.744 -0.079 1
1 219 . 14 1 1 A 27 27 GLN C C 27 177.106 178.901 -1.795 1
1 220 . 14 1 1 A 27 27 GLN CA C 27 57.892 59.514 -1.622 1
1 221 . 14 1 1 A 27 27 GLN CB C 27 28.195 28.605 -0.410 1
1 223 . 14 1 1 A 27 27 GLN N N 27 114.037 117.831 -3.794 1
1 225 . 14 1 1 A 28 28 GLU H H 28 7.467 8.531 -1.064 1
1 226 . 14 1 1 A 28 28 GLU HA H 28 4.190 4.139 0.051 1
1 231 . 14 1 1 A 28 28 GLU C C 28 177.106 176.102 1.004 1
1 232 . 14 1 1 A 28 28 GLU CA C 28 58.138 58.935 -0.797 1
1 233 . 14 1 1 A 28 28 GLU CB C 28 30.756 29.018 1.738 1
1 235 . 14 1 1 A 28 28 GLU N N 28 119.193 117.128 2.065 1
1 236 . 14 1 1 A 29 29 THR H H 29 8.971 8.028 0.943 1
1 237 . 14 1 1 A 29 29 THR HA H 29 4.321 4.644 -0.323 1
1 242 . 14 1 1 A 29 29 THR C C 29 170.526 173.907 -3.381 1
1 243 . 14 1 1 A 29 29 THR CA C 29 59.885 60.385 -0.500 1
1 244 . 14 1 1 A 29 29 THR CB C 29 69.656 71.079 -1.423 1
1 246 . 14 1 1 A 29 29 THR N N 29 116.904 113.249 3.655 1
1 247 . 14 1 1 A 30 30 LYS H H 30 7.942 8.531 -0.589 1
1 248 . 14 1 1 A 30 30 LYS HA H 30 3.765 3.875 -0.110 1
1 257 . 14 1 1 A 30 30 LYS C C 30 175.844 176.648 -0.804 1
1 258 . 14 1 1 A 30 30 LYS CA C 30 56.583 58.228 -1.645 1
1 259 . 14 1 1 A 30 30 LYS CB C 30 32.421 33.012 -0.591 1
1 263 . 14 1 1 A 30 30 LYS N N 30 123.132 126.763 -3.631 1
1 264 . 14 1 1 A 31 31 TYR H H 31 7.788 7.998 -0.210 1
1 265 . 14 1 1 A 31 31 TYR HA H 31 4.608 5.079 -0.471 1
1 272 . 14 1 1 A 31 31 TYR C C 31 172.687 173.234 -0.547 1
1 273 . 14 1 1 A 31 31 TYR CA C 31 54.864 54.702 0.162 1
1 274 . 14 1 1 A 31 31 TYR CB C 31 38.777 39.195 -0.418 1
1 279 . 14 1 1 A 31 31 TYR N N 31 113.626 116.978 -3.352 1
1 280 . 14 1 1 A 32 32 PRO HA H 32 4.399 4.602 -0.203 1
1 287 . 14 1 1 A 32 32 PRO C C 32 177.203 176.379 0.824 1
1 288 . 14 1 1 A 32 32 PRO CA C 32 62.668 62.353 0.315 1
1 289 . 14 1 1 A 32 32 PRO CB C 32 31.394 32.724 -1.330 1
1 292 . 14 1 1 A 33 33 ASP H H 33 8.548 8.468 0.080 1
1 293 . 14 1 1 A 33 33 ASP HA H 33 4.473 4.814 -0.341 1
1 296 . 14 1 1 A 33 33 ASP C C 33 175.989 176.458 -0.469 1
1 297 . 14 1 1 A 33 33 ASP CA C 33 52.775 53.013 -0.238 1
1 298 . 14 1 1 A 33 33 ASP CB C 33 41.295 42.066 -0.771 1
1 299 . 14 1 1 A 33 33 ASP N N 33 123.152 121.278 1.874 1
1 300 . 14 1 1 A 34 34 VAL H H 34 8.493 8.554 -0.061 1
1 301 . 14 1 1 A 34 34 VAL HA H 34 3.522 3.778 -0.256 1
1 309 . 14 1 1 A 34 34 VAL C C 34 177.203 177.973 -0.770 1
1 310 . 14 1 1 A 34 34 VAL CA C 34 66.618 65.718 0.900 1
1 311 . 14 1 1 A 34 34 VAL CB C 34 31.697 31.714 -0.017 1
1 314 . 14 1 1 A 34 34 VAL N N 34 119.474 120.902 -1.428 1
1 315 . 14 1 1 A 35 35 GLY H H 35 8.389 8.260 0.129 1
1 316 . 14 1 1 A 35 35 GLY HA2 H 35 3.901 3.779 0.122 1
1 317 . 14 1 1 A 35 35 GLY HA3 H 35 3.901 3.781 0.120 1
1 318 . 14 1 1 A 35 35 GLY C C 35 176.985 175.828 1.157 1
1 319 . 14 1 1 A 35 35 GLY CA C 35 46.976 47.521 -0.545 1
1 320 . 14 1 1 A 35 35 GLY N N 35 109.478 108.967 0.511 1
1 321 . 14 1 1 A 36 36 THR H H 36 8.142 7.989 0.153 1
1 322 . 14 1 1 A 36 36 THR HA H 36 3.918 4.009 -0.091 1
1 327 . 14 1 1 A 36 36 THR C C 36 177.616 176.370 1.246 1
1 328 . 14 1 1 A 36 36 THR CA C 36 66.957 66.294 0.663 1
1 329 . 14 1 1 A 36 36 THR CB C 36 67.887 68.183 -0.296 1
1 331 . 14 1 1 A 36 36 THR N N 36 121.210 117.747 3.463 1
1 332 . 14 1 1 A 37 37 ARG H H 37 8.396 8.191 0.205 1
1 333 . 14 1 1 A 37 37 ARG HA H 37 3.712 3.930 -0.218 1
1 341 . 14 1 1 A 37 37 ARG C C 37 177.980 179.156 -1.176 1
1 342 . 14 1 1 A 37 37 ARG CA C 37 61.187 59.782 1.405 1
1 343 . 14 1 1 A 37 37 ARG CB C 37 31.250 30.274 0.976 1
1 346 . 14 1 1 A 37 37 ARG N N 37 121.196 120.302 0.894 1
1 348 . 14 1 1 A 38 38 GLU H H 38 8.843 8.291 0.552 1
1 349 . 14 1 1 A 38 38 GLU HA H 38 3.905 4.070 -0.165 1
1 354 . 14 1 1 A 38 38 GLU C C 38 178.636 178.976 -0.340 1
1 355 . 14 1 1 A 38 38 GLU CA C 38 59.797 58.876 0.921 1
1 356 . 14 1 1 A 38 38 GLU CB C 38 29.529 29.159 0.370 1
1 358 . 14 1 1 A 38 38 GLU N N 38 119.875 119.196 0.679 1
1 359 . 14 1 1 A 39 39 GLN H H 39 7.939 7.773 0.166 1
1 360 . 14 1 1 A 39 39 GLN HA H 39 3.977 3.922 0.055 1
1 367 . 14 1 1 A 39 39 GLN C C 39 178.782 178.123 0.659 1
1 368 . 14 1 1 A 39 39 GLN CA C 39 59.078 59.077 0.001 1
1 369 . 14 1 1 A 39 39 GLN CB C 39 28.426 28.431 -0.005 1
1 371 . 14 1 1 A 39 39 GLN N N 39 118.456 118.857 -0.401 1
1 373 . 14 1 1 A 40 40 LEU H H 40 7.515 8.509 -0.994 1
1 374 . 14 1 1 A 40 40 LEU HA H 40 4.129 4.025 0.104 1
1 384 . 14 1 1 A 40 40 LEU C C 40 178.150 178.204 -0.054 1
1 385 . 14 1 1 A 40 40 LEU CA C 40 58.273 58.358 -0.085 1
1 386 . 14 1 1 A 40 40 LEU CB C 40 41.194 41.544 -0.350 1
1 390 . 14 1 1 A 40 40 LEU N N 40 121.414 122.212 -0.798 1
1 391 . 14 1 1 A 41 41 ALA H H 41 8.577 8.468 0.109 1
1 392 . 14 1 1 A 41 41 ALA HA H 41 3.650 4.077 -0.427 1
1 396 . 14 1 1 A 41 41 ALA C C 41 179.559 180.368 -0.809 1
1 397 . 14 1 1 A 41 41 ALA CA C 41 55.925 55.543 0.382 1
1 398 . 14 1 1 A 41 41 ALA CB C 41 17.487 18.635 -1.148 1
1 399 . 14 1 1 A 41 41 ALA N N 41 121.362 120.711 0.651 1
1 400 . 14 1 1 A 42 42 ARG H H 42 7.986 7.796 0.190 1
1 401 . 14 1 1 A 42 42 ARG HA H 42 4.083 3.990 0.093 1
1 408 . 14 1 1 A 42 42 ARG C C 42 179.000 178.646 0.354 1
1 409 . 14 1 1 A 42 42 ARG CA C 42 58.578 59.682 -1.104 1
1 410 . 14 1 1 A 42 42 ARG CB C 42 30.495 30.015 0.480 1
1 413 . 14 1 1 A 42 42 ARG N N 42 114.579 117.603 -3.024 1
1 414 . 14 1 1 A 43 43 LYS H H 43 7.706 7.911 -0.205 1
1 415 . 14 1 1 A 43 43 LYS HA H 43 4.023 4.104 -0.081 1
1 424 . 14 1 1 A 43 43 LYS C C 43 178.248 178.594 -0.346 1
1 425 . 14 1 1 A 43 43 LYS CA C 43 59.177 58.964 0.213 1
1 426 . 14 1 1 A 43 43 LYS CB C 43 33.134 32.417 0.717 1
1 430 . 14 1 1 A 43 43 LYS N N 43 119.896 120.285 -0.389 1
1 431 . 14 1 1 A 44 44 VAL H H 44 7.681 7.913 -0.232 1
1 432 . 14 1 1 A 44 44 VAL HA H 44 4.522 4.380 0.142 1
1 440 . 14 1 1 A 44 44 VAL C C 44 174.654 175.056 -0.402 1
1 441 . 14 1 1 A 44 44 VAL CA C 44 59.912 61.564 -1.652 1
1 442 . 14 1 1 A 44 44 VAL CB C 44 30.979 31.687 -0.708 1
1 445 . 14 1 1 A 44 44 VAL N N 44 105.042 110.671 -5.629 1
1 446 . 14 1 1 A 45 45 HIS H H 45 7.398 7.974 -0.576 1
1 447 . 14 1 1 A 45 45 HIS HA H 45 4.293 4.173 0.120 1
1 451 . 14 1 1 A 45 45 HIS C C 45 174.144 173.983 0.161 1
1 452 . 14 1 1 A 45 45 HIS CA C 45 56.956 56.676 0.280 1
1 453 . 14 1 1 A 45 45 HIS CB C 45 26.353 26.625 -0.272 1
1 455 . 14 1 1 A 45 45 HIS N N 45 117.892 115.952 1.940 1
1 456 . 14 1 1 A 46 46 LEU H H 46 8.571 7.931 0.640 1
1 457 . 14 1 1 A 46 46 LEU HA H 46 4.855 4.887 -0.032 1
1 467 . 14 1 1 A 46 46 LEU C C 46 176.256 175.514 0.742 1
1 468 . 14 1 1 A 46 46 LEU CA C 46 52.689 53.603 -0.914 1
1 469 . 14 1 1 A 46 46 LEU CB C 46 47.746 45.992 1.754 1
1 473 . 14 1 1 A 46 46 LEU N N 46 119.288 118.754 0.534 1
1 474 . 14 1 1 A 47 47 ARG H H 47 7.979 8.874 -0.895 1
1 475 . 14 1 1 A 47 47 ARG HA H 47 4.439 4.401 0.038 1
1 482 . 14 1 1 A 47 47 ARG C C 47 178.830 177.692 1.138 1
1 483 . 14 1 1 A 47 47 ARG CA C 47 55.871 55.736 0.135 1
1 484 . 14 1 1 A 47 47 ARG CB C 47 30.838 31.330 -0.492 1
1 487 . 14 1 1 A 47 47 ARG N N 47 119.085 120.425 -1.340 1
1 488 . 14 1 1 A 48 48 GLU H H 48 9.642 8.685 0.957 1
1 489 . 14 1 1 A 48 48 GLU HA H 48 3.644 3.944 -0.300 1
1 494 . 14 1 1 A 48 48 GLU C C 48 178.515 178.204 0.311 1
1 495 . 14 1 1 A 48 48 GLU CA C 48 61.612 59.589 2.023 1
1 496 . 14 1 1 A 48 48 GLU CB C 48 28.860 29.369 -0.509 1
1 498 . 14 1 1 A 48 48 GLU N N 48 125.963 122.622 3.341 1
1 499 . 14 1 1 A 49 49 GLU H H 49 9.638 8.556 1.082 1
1 500 . 14 1 1 A 49 49 GLU HA H 49 4.239 4.082 0.157 1
1 505 . 14 1 1 A 49 49 GLU C C 49 178.927 179.409 -0.482 1
1 506 . 14 1 1 A 49 49 GLU CA C 49 59.681 59.230 0.451 1
1 507 . 14 1 1 A 49 49 GLU CB C 49 28.531 29.137 -0.606 1
1 509 . 14 1 1 A 49 49 GLU N N 49 118.929 120.128 -1.199 1
1 510 . 14 1 1 A 50 50 LYS H H 50 7.398 7.800 -0.402 1
1 511 . 14 1 1 A 50 50 LYS HA H 50 4.318 4.132 0.186 1
1 520 . 14 1 1 A 50 50 LYS C C 50 179.486 179.395 0.091 1
1 521 . 14 1 1 A 50 50 LYS CA C 50 58.084 59.233 -1.149 1
1 522 . 14 1 1 A 50 50 LYS CB C 50 32.487 32.804 -0.317 1
1 526 . 14 1 1 A 50 50 LYS N N 50 117.569 119.673 -2.104 1
1 527 . 14 1 1 A 51 51 VAL H H 51 7.614 7.847 -0.233 1
1 528 . 14 1 1 A 51 51 VAL HA H 51 3.739 3.615 0.124 1
1 536 . 14 1 1 A 51 51 VAL C C 51 177.641 178.164 -0.523 1
1 537 . 14 1 1 A 51 51 VAL CA C 51 66.900 67.201 -0.301 1
1 538 . 14 1 1 A 51 51 VAL CB C 51 31.876 31.497 0.379 1
1 541 . 14 1 1 A 51 51 VAL N N 51 120.291 120.442 -0.151 1
1 542 . 14 1 1 A 52 52 GLU H H 52 8.274 7.645 0.629 1
1 543 . 14 1 1 A 52 52 GLU HA H 52 4.198 3.860 0.338 1
1 547 . 14 1 1 A 52 52 GLU C C 52 179.073 178.598 0.475 1
1 548 . 14 1 1 A 52 52 GLU CA C 52 60.434 59.274 1.160 1
1 549 . 14 1 1 A 52 52 GLU CB C 52 29.073 29.595 -0.522 1
1 551 . 14 1 1 A 52 52 GLU N N 52 120.105 120.479 -0.374 1
1 552 . 14 1 1 A 53 53 VAL H H 53 7.936 8.160 -0.224 1
1 553 . 14 1 1 A 53 53 VAL HA H 53 3.692 3.736 -0.044 1
1 561 . 14 1 1 A 53 53 VAL C C 53 177.592 178.302 -0.710 1
1 562 . 14 1 1 A 53 53 VAL CA C 53 66.935 66.661 0.274 1
1 563 . 14 1 1 A 53 53 VAL CB C 53 32.273 31.759 0.514 1
1 566 . 14 1 1 A 53 53 VAL N N 53 119.238 119.456 -0.218 1
1 567 . 14 1 1 A 54 54 TRP H H 54 8.321 8.298 0.023 1
1 568 . 14 1 1 A 54 54 TRP HA H 54 4.083 4.125 -0.042 1
1 577 . 14 1 1 A 54 54 TRP C C 54 179.802 177.964 1.838 1
1 578 . 14 1 1 A 54 54 TRP CA C 54 63.129 61.588 1.541 1
1 579 . 14 1 1 A 54 54 TRP CB C 54 28.635 29.927 -1.292 1
1 585 . 14 1 1 A 54 54 TRP N N 54 121.382 121.306 0.076 1
1 587 . 14 1 1 A 55 55 PHE H H 55 8.834 8.400 0.434 1
1 588 . 14 1 1 A 55 55 PHE HA H 55 3.676 4.067 -0.391 1
1 596 . 14 1 1 A 55 55 PHE C C 55 178.150 178.076 0.074 1
1 597 . 14 1 1 A 55 55 PHE CA C 55 64.096 62.010 2.086 1
1 598 . 14 1 1 A 55 55 PHE CB C 55 39.358 38.670 0.688 1
1 604 . 14 1 1 A 55 55 PHE N N 55 118.755 118.045 0.710 1
1 605 . 14 1 1 A 56 56 LYS H H 56 8.241 7.997 0.244 1
1 606 . 14 1 1 A 56 56 LYS HA H 56 3.977 3.950 0.027 1
1 612 . 14 1 1 A 56 56 LYS C C 56 180.166 179.675 0.491 1
1 613 . 14 1 1 A 56 56 LYS CA C 56 60.744 59.160 1.584 1
1 614 . 14 1 1 A 56 56 LYS CB C 56 32.322 32.410 -0.088 1
1 618 . 14 1 1 A 56 56 LYS N N 56 120.065 118.334 1.731 1
1 619 . 14 1 1 A 57 57 ASN H H 57 8.084 8.408 -0.324 1
1 620 . 14 1 1 A 57 57 ASN HA H 57 4.367 4.292 0.075 1
1 625 . 14 1 1 A 57 57 ASN C C 57 177.422 177.203 0.219 1
1 626 . 14 1 1 A 57 57 ASN CA C 57 55.660 55.868 -0.208 1
1 627 . 14 1 1 A 57 57 ASN CB C 57 38.008 38.122 -0.114 1
1 628 . 14 1 1 A 57 57 ASN N N 57 118.967 118.248 0.719 1
1 630 . 14 1 1 A 58 58 ARG H H 58 8.575 7.392 1.183 1
1 631 . 14 1 1 A 58 58 ARG HA H 58 3.463 3.597 -0.134 1
1 639 . 14 1 1 A 58 58 ARG C C 58 180.044 178.207 1.837 1
1 640 . 14 1 1 A 58 58 ARG CA C 58 56.568 58.667 -2.099 1
1 641 . 14 1 1 A 58 58 ARG CB C 58 28.155 28.882 -0.727 1
1 644 . 14 1 1 A 58 58 ARG N N 58 124.441 120.327 4.114 1
1 646 . 14 1 1 A 59 59 ARG H H 59 8.490 7.631 0.859 1
1 647 . 14 1 1 A 59 59 ARG HA H 59 4.334 4.223 0.111 1
1 653 . 14 1 1 A 59 59 ARG C C 59 178.223 178.336 -0.113 1
1 654 . 14 1 1 A 59 59 ARG CA C 59 60.699 59.366 1.333 1
1 655 . 14 1 1 A 59 59 ARG CB C 59 31.905 30.144 1.761 1
1 658 . 14 1 1 A 59 59 ARG N N 59 118.847 119.492 -0.645 1
1 659 . 14 1 1 A 60 60 ALA H H 60 7.459 8.052 -0.593 1
1 660 . 14 1 1 A 60 60 ALA HA H 60 4.225 4.147 0.078 1
1 664 . 14 1 1 A 60 60 ALA C C 60 179.680 179.695 -0.015 1
1 665 . 14 1 1 A 60 60 ALA CA C 60 55.051 55.023 0.028 1
1 666 . 14 1 1 A 60 60 ALA CB C 60 17.817 18.533 -0.716 1
1 667 . 14 1 1 A 60 60 ALA N N 60 121.387 121.661 -0.274 1
1 668 . 14 1 1 A 61 61 LYS H H 61 7.452 7.844 -0.392 1
1 669 . 14 1 1 A 61 61 LYS HA H 61 4.042 4.112 -0.070 1
1 676 . 14 1 1 A 61 61 LYS C C 61 178.078 178.964 -0.886 1
1 677 . 14 1 1 A 61 61 LYS CA C 61 58.472 59.309 -0.837 1
1 678 . 14 1 1 A 61 61 LYS CB C 61 32.734 32.133 0.601 1
1 682 . 14 1 1 A 61 61 LYS N N 61 118.087 118.498 -0.411 1
1 683 . 14 1 1 A 62 62 TRP H H 62 8.008 7.971 0.037 1
1 684 . 14 1 1 A 62 62 TRP HA H 62 4.632 4.269 0.363 1
1 693 . 14 1 1 A 62 62 TRP C C 62 177.471 178.553 -1.082 1
1 694 . 14 1 1 A 62 62 TRP CA C 62 59.120 60.684 -1.564 1
1 695 . 14 1 1 A 62 62 TRP CB C 62 29.366 29.588 -0.222 1
1 701 . 14 1 1 A 62 62 TRP N N 62 121.749 122.085 -0.336 1
1 703 . 14 1 1 A 63 63 ARG H H 63 8.286 8.891 -0.605 1
1 704 . 14 1 1 A 63 63 ARG HA H 63 3.736 3.637 0.099 1
1 711 . 14 1 1 A 63 63 ARG C C 63 176.888 178.295 -1.407 1
1 712 . 14 1 1 A 63 63 ARG CA C 63 57.385 59.163 -1.778 1
1 713 . 14 1 1 A 63 63 ARG CB C 63 30.726 30.065 0.661 1
1 716 . 14 1 1 A 63 63 ARG N N 63 119.622 120.319 -0.697 1
1 717 . 14 1 1 A 64 64 ARG H H 64 7.670 8.293 -0.623 1
1 718 . 14 1 1 A 64 64 ARG HA H 64 4.196 4.066 0.130 1
1 723 . 14 1 1 A 64 64 ARG C C 64 176.645 175.780 0.865 1
1 724 . 14 1 1 A 64 64 ARG CA C 64 56.956 58.735 -1.779 1
1 725 . 14 1 1 A 64 64 ARG CB C 64 30.369 30.775 -0.406 1
1 728 . 14 1 1 A 64 64 ARG N N 64 119.096 119.889 -0.793 1
1 729 . 14 1 1 A 65 65 SER H H 65 7.962 7.832 0.130 1
1 730 . 14 1 1 A 65 65 SER HA H 65 4.474 5.029 -0.555 1
1 733 . 14 1 1 A 65 65 SER C C 65 174.435 174.022 0.413 1
1 734 . 14 1 1 A 65 65 SER CA C 65 58.837 57.053 1.784 1
1 735 . 14 1 1 A 65 65 SER CB C 65 63.947 65.028 -1.081 1
1 736 . 14 1 1 A 65 65 SER N N 65 115.352 113.964 1.388 1
1 737 . 14 1 1 A 66 66 GLY H H 66 8.031 8.075 -0.044 1
1 738 . 14 1 1 A 66 66 GLY HA2 H 66 4.068 3.885 0.183 1
1 739 . 14 1 1 A 66 66 GLY C C 66 171.813 171.211 0.602 1
1 740 . 14 1 1 A 66 66 GLY CA C 66 44.800 45.209 -0.409 1
1 741 . 14 1 1 A 66 66 GLY N N 66 110.503 111.211 -0.708 1
1 742 . 14 1 1 A 67 67 PRO HA H 67 4.456 4.557 -0.101 1
1 747 . 14 1 1 A 67 67 PRO CA C 67 63.352 62.779 0.573 1
1 748 . 14 1 1 A 67 67 PRO CB C 67 32.167 32.014 0.153 1
1 751 . 14 1 1 A 68 68 SER HA H 68 4.457 4.949 -0.492 1
1 754 . 14 1 1 A 68 68 SER C C 68 174.654 173.949 0.705 1
1 755 . 14 1 1 A 68 68 SER CA C 68 58.612 58.339 0.273 1
1 756 . 14 1 1 A 68 68 SER CB C 68 63.845 63.884 -0.039 1
1 757 . 14 1 1 A 69 69 SER HA H 69 4.491 4.754 -0.263 1
1 760 . 14 1 1 A 69 69 SER C C 69 173.925 174.456 -0.531 1
1 761 . 14 1 1 A 69 69 SER CA C 69 58.423 58.270 0.153 1
1 762 . 14 1 1 A 69 69 SER CB C 69 63.969 64.125 -0.156 1
1 1 . 15 1 1 A 10 10 HIS HA H 10 4.605 5.022 -0.417 1
1 5 . 15 1 1 A 10 10 HIS CA C 10 56.397 54.176 2.221 1
1 6 . 15 1 1 A 10 10 HIS CB C 10 29.857 33.038 -3.181 1
1 8 . 15 1 1 A 12 12 THR HA H 12 4.305 4.907 -0.602 1
1 13 . 15 1 1 A 12 12 THR C C 12 173.925 173.453 0.472 1
1 14 . 15 1 1 A 12 12 THR CA C 12 62.068 62.242 -0.174 1
1 15 . 15 1 1 A 12 12 THR CB C 12 69.817 70.484 -0.667 1
1 17 . 15 1 1 A 13 13 ILE H H 13 8.188 8.879 -0.691 1
1 18 . 15 1 1 A 13 13 ILE HA H 13 4.139 5.313 -1.174 1
1 28 . 15 1 1 A 13 13 ILE C C 13 175.795 173.487 2.308 1
1 29 . 15 1 1 A 13 13 ILE CA C 13 61.202 59.099 2.103 1
1 30 . 15 1 1 A 13 13 ILE CB C 13 38.686 42.456 -3.770 1
1 34 . 15 1 1 A 13 13 ILE N N 13 123.673 127.078 -3.405 1
1 35 . 15 1 1 A 14 14 PHE H H 14 8.178 9.408 -1.230 1
1 36 . 15 1 1 A 14 14 PHE HA H 14 4.977 4.941 0.036 1
1 44 . 15 1 1 A 14 14 PHE C C 14 176.475 175.815 0.660 1
1 45 . 15 1 1 A 14 14 PHE CA C 14 57.025 56.536 0.489 1
1 46 . 15 1 1 A 14 14 PHE CB C 14 41.482 43.129 -1.647 1
1 52 . 15 1 1 A 14 14 PHE N N 14 122.586 125.731 -3.145 1
1 53 . 15 1 1 A 15 15 THR H H 15 8.792 9.113 -0.321 1
1 54 . 15 1 1 A 15 15 THR HA H 15 4.462 4.713 -0.251 1
1 59 . 15 1 1 A 15 15 THR C C 15 175.261 175.625 -0.364 1
1 60 . 15 1 1 A 15 15 THR CA C 15 60.623 60.833 -0.210 1
1 61 . 15 1 1 A 15 15 THR CB C 15 70.645 70.651 -0.006 1
1 63 . 15 1 1 A 15 15 THR N N 15 113.201 114.093 -0.892 1
1 64 . 15 1 1 A 16 16 ASP H H 16 9.018 9.262 -0.244 1
1 65 . 15 1 1 A 16 16 ASP HA H 16 4.371 4.368 0.003 1
1 68 . 15 1 1 A 16 16 ASP C C 16 178.806 178.100 0.706 1
1 69 . 15 1 1 A 16 16 ASP CA C 16 58.163 57.132 1.031 1
1 70 . 15 1 1 A 16 16 ASP CB C 16 39.689 40.065 -0.376 1
1 71 . 15 1 1 A 16 16 ASP N N 16 121.802 121.809 -0.007 1
1 72 . 15 1 1 A 17 17 GLU H H 17 8.785 8.274 0.511 1
1 73 . 15 1 1 A 17 17 GLU HA H 17 4.054 3.957 0.097 1
1 78 . 15 1 1 A 17 17 GLU C C 17 180.044 179.271 0.773 1
1 79 . 15 1 1 A 17 17 GLU CA C 17 59.706 59.808 -0.102 1
1 80 . 15 1 1 A 17 17 GLU CB C 17 29.520 28.930 0.590 1
1 82 . 15 1 1 A 17 17 GLU N N 17 119.474 119.473 0.001 1
1 83 . 15 1 1 A 18 18 GLN H H 18 7.700 7.678 0.022 1
1 84 . 15 1 1 A 18 18 GLN HA H 18 3.665 3.899 -0.234 1
1 91 . 15 1 1 A 18 18 GLN C C 18 177.009 178.896 -1.887 1
1 92 . 15 1 1 A 18 18 GLN CA C 18 59.354 58.836 0.518 1
1 93 . 15 1 1 A 18 18 GLN CB C 18 27.377 28.039 -0.662 1
1 95 . 15 1 1 A 18 18 GLN N N 18 119.784 119.383 0.401 1
1 97 . 15 1 1 A 19 19 LEU H H 19 8.383 8.166 0.217 1
1 98 . 15 1 1 A 19 19 LEU HA H 19 3.585 3.643 -0.058 1
1 108 . 15 1 1 A 19 19 LEU C C 19 178.830 178.602 0.228 1
1 109 . 15 1 1 A 19 19 LEU CA C 19 57.908 57.787 0.121 1
1 110 . 15 1 1 A 19 19 LEU CB C 19 41.703 40.914 0.789 1
1 114 . 15 1 1 A 19 19 LEU N N 19 117.889 119.594 -1.705 1
1 115 . 15 1 1 A 20 20 GLU H H 20 8.119 8.733 -0.614 1
1 116 . 15 1 1 A 20 20 GLU HA H 20 3.897 3.923 -0.026 1
1 121 . 15 1 1 A 20 20 GLU C C 20 178.126 178.532 -0.406 1
1 122 . 15 1 1 A 20 20 GLU CA C 20 59.248 59.647 -0.399 1
1 123 . 15 1 1 A 20 20 GLU CB C 20 29.697 29.474 0.223 1
1 125 . 15 1 1 A 20 20 GLU N N 20 118.697 118.869 -0.172 1
1 126 . 15 1 1 A 21 21 ALA H H 21 7.309 7.619 -0.310 1
1 127 . 15 1 1 A 21 21 ALA HA H 21 4.057 4.057 0.000 1
1 131 . 15 1 1 A 21 21 ALA C C 21 180.773 179.799 0.974 1
1 132 . 15 1 1 A 21 21 ALA CA C 21 54.947 55.147 -0.200 1
1 133 . 15 1 1 A 21 21 ALA CB C 21 18.888 18.696 0.192 1
1 134 . 15 1 1 A 21 21 ALA N N 21 120.540 121.570 -1.030 1
1 135 . 15 1 1 A 22 22 LEU H H 22 8.070 7.960 0.110 1
1 136 . 15 1 1 A 22 22 LEU HA H 22 3.428 3.664 -0.236 1
1 146 . 15 1 1 A 22 22 LEU C C 22 177.131 178.626 -1.495 1
1 147 . 15 1 1 A 22 22 LEU CA C 22 58.408 57.646 0.762 1
1 148 . 15 1 1 A 22 22 LEU CB C 22 38.173 40.612 -2.439 1
1 152 . 15 1 1 A 22 22 LEU N N 22 121.563 117.907 3.656 1
1 153 . 15 1 1 A 23 23 GLU H H 23 7.997 8.308 -0.311 1
1 154 . 15 1 1 A 23 23 GLU HA H 23 4.289 4.052 0.237 1
1 159 . 15 1 1 A 23 23 GLU C C 23 179.510 179.515 -0.005 1
1 160 . 15 1 1 A 23 23 GLU CA C 23 58.734 59.955 -1.221 1
1 161 . 15 1 1 A 23 23 GLU CB C 23 28.879 29.137 -0.258 1
1 163 . 15 1 1 A 23 23 GLU N N 23 118.641 117.181 1.460 1
1 164 . 15 1 1 A 24 24 ASN H H 24 8.282 8.075 0.207 1
1 165 . 15 1 1 A 24 24 ASN HA H 24 4.443 4.478 -0.035 1
1 170 . 15 1 1 A 24 24 ASN C C 24 178.563 177.909 0.654 1
1 171 . 15 1 1 A 24 24 ASN CA C 24 56.145 56.356 -0.211 1
1 172 . 15 1 1 A 24 24 ASN CB C 24 38.055 38.098 -0.043 1
1 173 . 15 1 1 A 24 24 ASN N N 24 117.495 118.053 -0.558 1
1 175 . 15 1 1 A 25 25 LEU H H 25 7.852 7.722 0.130 1
1 176 . 15 1 1 A 25 25 LEU HA H 25 4.445 4.213 0.232 1
1 186 . 15 1 1 A 25 25 LEU C C 25 177.276 178.305 -1.029 1
1 187 . 15 1 1 A 25 25 LEU CA C 25 57.963 57.561 0.402 1
1 188 . 15 1 1 A 25 25 LEU CB C 25 40.400 42.273 -1.873 1
1 192 . 15 1 1 A 25 25 LEU N N 25 121.261 120.961 0.300 1
1 193 . 15 1 1 A 26 26 PHE H H 26 8.711 8.782 -0.071 1
1 194 . 15 1 1 A 26 26 PHE HA H 26 4.628 4.258 0.370 1
1 202 . 15 1 1 A 26 26 PHE C C 26 176.232 177.738 -1.506 1
1 203 . 15 1 1 A 26 26 PHE CA C 26 61.011 61.139 -0.128 1
1 204 . 15 1 1 A 26 26 PHE CB C 26 38.906 39.125 -0.219 1
1 210 . 15 1 1 A 26 26 PHE N N 26 120.816 119.477 1.339 1
1 211 . 15 1 1 A 27 27 GLN H H 27 8.007 8.373 -0.366 1
1 212 . 15 1 1 A 27 27 GLN HA H 27 3.665 3.752 -0.087 1
1 219 . 15 1 1 A 27 27 GLN C C 27 177.106 178.321 -1.215 1
1 220 . 15 1 1 A 27 27 GLN CA C 27 57.892 59.346 -1.454 1
1 221 . 15 1 1 A 27 27 GLN CB C 27 28.195 28.582 -0.387 1
1 223 . 15 1 1 A 27 27 GLN N N 27 114.037 118.062 -4.025 1
1 225 . 15 1 1 A 28 28 GLU H H 28 7.467 8.142 -0.675 1
1 226 . 15 1 1 A 28 28 GLU HA H 28 4.190 4.116 0.074 1
1 231 . 15 1 1 A 28 28 GLU C C 28 177.106 176.016 1.090 1
1 232 . 15 1 1 A 28 28 GLU CA C 28 58.138 58.878 -0.740 1
1 233 . 15 1 1 A 28 28 GLU CB C 28 30.756 28.954 1.802 1
1 235 . 15 1 1 A 28 28 GLU N N 28 119.193 117.847 1.346 1
1 236 . 15 1 1 A 29 29 THR H H 29 8.971 7.891 1.080 1
1 237 . 15 1 1 A 29 29 THR HA H 29 4.321 4.721 -0.400 1
1 242 . 15 1 1 A 29 29 THR C C 29 170.526 174.695 -4.169 1
1 243 . 15 1 1 A 29 29 THR CA C 29 59.885 59.778 0.107 1
1 244 . 15 1 1 A 29 29 THR CB C 29 69.656 70.895 -1.239 1
1 246 . 15 1 1 A 29 29 THR N N 29 116.904 113.288 3.616 1
1 247 . 15 1 1 A 30 30 LYS H H 30 7.942 8.419 -0.477 1
1 248 . 15 1 1 A 30 30 LYS HA H 30 3.765 3.786 -0.021 1
1 257 . 15 1 1 A 30 30 LYS C C 30 175.844 176.438 -0.594 1
1 258 . 15 1 1 A 30 30 LYS CA C 30 56.583 58.891 -2.308 1
1 259 . 15 1 1 A 30 30 LYS CB C 30 32.421 32.807 -0.386 1
1 263 . 15 1 1 A 30 30 LYS N N 30 123.132 127.131 -3.999 1
1 264 . 15 1 1 A 31 31 TYR H H 31 7.788 8.017 -0.229 1
1 265 . 15 1 1 A 31 31 TYR HA H 31 4.608 5.091 -0.483 1
1 272 . 15 1 1 A 31 31 TYR C C 31 172.687 173.250 -0.563 1
1 273 . 15 1 1 A 31 31 TYR CA C 31 54.864 54.500 0.364 1
1 274 . 15 1 1 A 31 31 TYR CB C 31 38.777 38.928 -0.151 1
1 279 . 15 1 1 A 31 31 TYR N N 31 113.626 116.800 -3.174 1
1 280 . 15 1 1 A 32 32 PRO HA H 32 4.399 4.583 -0.184 1
1 287 . 15 1 1 A 32 32 PRO C C 32 177.203 175.343 1.860 1
1 288 . 15 1 1 A 32 32 PRO CA C 32 62.668 62.439 0.229 1
1 289 . 15 1 1 A 32 32 PRO CB C 32 31.394 32.708 -1.314 1
1 292 . 15 1 1 A 33 33 ASP H H 33 8.548 8.600 -0.052 1
1 293 . 15 1 1 A 33 33 ASP HA H 33 4.473 4.970 -0.497 1
1 296 . 15 1 1 A 33 33 ASP C C 33 175.989 177.412 -1.423 1
1 297 . 15 1 1 A 33 33 ASP CA C 33 52.775 53.085 -0.310 1
1 298 . 15 1 1 A 33 33 ASP CB C 33 41.295 42.251 -0.956 1
1 299 . 15 1 1 A 33 33 ASP N N 33 123.152 120.838 2.314 1
1 300 . 15 1 1 A 34 34 VAL H H 34 8.493 8.508 -0.015 1
1 301 . 15 1 1 A 34 34 VAL HA H 34 3.522 3.774 -0.252 1
1 309 . 15 1 1 A 34 34 VAL C C 34 177.203 177.966 -0.763 1
1 310 . 15 1 1 A 34 34 VAL CA C 34 66.618 65.767 0.851 1
1 311 . 15 1 1 A 34 34 VAL CB C 34 31.697 31.655 0.042 1
1 314 . 15 1 1 A 34 34 VAL N N 34 119.474 125.212 -5.738 1
1 315 . 15 1 1 A 35 35 GLY H H 35 8.389 8.235 0.154 1
1 316 . 15 1 1 A 35 35 GLY HA2 H 35 3.901 3.786 0.115 1
1 317 . 15 1 1 A 35 35 GLY HA3 H 35 3.901 3.787 0.114 1
1 318 . 15 1 1 A 35 35 GLY C C 35 176.985 176.328 0.657 1
1 319 . 15 1 1 A 35 35 GLY CA C 35 46.976 47.471 -0.495 1
1 320 . 15 1 1 A 35 35 GLY N N 35 109.478 108.849 0.629 1
1 321 . 15 1 1 A 36 36 THR H H 36 8.142 7.802 0.340 1
1 322 . 15 1 1 A 36 36 THR HA H 36 3.918 3.999 -0.081 1
1 327 . 15 1 1 A 36 36 THR C C 36 177.616 176.452 1.164 1
1 328 . 15 1 1 A 36 36 THR CA C 36 66.957 66.307 0.650 1
1 329 . 15 1 1 A 36 36 THR CB C 36 67.887 68.150 -0.263 1
1 331 . 15 1 1 A 36 36 THR N N 36 121.210 117.484 3.726 1
1 332 . 15 1 1 A 37 37 ARG H H 37 8.396 8.186 0.210 1
1 333 . 15 1 1 A 37 37 ARG HA H 37 3.712 3.979 -0.267 1
1 341 . 15 1 1 A 37 37 ARG C C 37 177.980 179.101 -1.121 1
1 342 . 15 1 1 A 37 37 ARG CA C 37 61.187 59.894 1.293 1
1 343 . 15 1 1 A 37 37 ARG CB C 37 31.250 30.196 1.054 1
1 346 . 15 1 1 A 37 37 ARG N N 37 121.196 119.943 1.253 1
1 348 . 15 1 1 A 38 38 GLU H H 38 8.843 8.544 0.299 1
1 349 . 15 1 1 A 38 38 GLU HA H 38 3.905 3.992 -0.087 1
1 354 . 15 1 1 A 38 38 GLU C C 38 178.636 179.170 -0.534 1
1 355 . 15 1 1 A 38 38 GLU CA C 38 59.797 59.286 0.511 1
1 356 . 15 1 1 A 38 38 GLU CB C 38 29.529 29.192 0.337 1
1 358 . 15 1 1 A 38 38 GLU N N 38 119.875 119.692 0.183 1
1 359 . 15 1 1 A 39 39 GLN H H 39 7.939 7.531 0.408 1
1 360 . 15 1 1 A 39 39 GLN HA H 39 3.977 3.983 -0.006 1
1 367 . 15 1 1 A 39 39 GLN C C 39 178.782 177.868 0.914 1
1 368 . 15 1 1 A 39 39 GLN CA C 39 59.078 58.924 0.154 1
1 369 . 15 1 1 A 39 39 GLN CB C 39 28.426 28.329 0.097 1
1 371 . 15 1 1 A 39 39 GLN N N 39 118.456 118.757 -0.301 1
1 373 . 15 1 1 A 40 40 LEU H H 40 7.515 8.559 -1.044 1
1 374 . 15 1 1 A 40 40 LEU HA H 40 4.129 4.053 0.076 1
1 384 . 15 1 1 A 40 40 LEU C C 40 178.150 178.285 -0.135 1
1 385 . 15 1 1 A 40 40 LEU CA C 40 58.273 58.200 0.073 1
1 386 . 15 1 1 A 40 40 LEU CB C 40 41.194 41.352 -0.158 1
1 390 . 15 1 1 A 40 40 LEU N N 40 121.414 122.259 -0.845 1
1 391 . 15 1 1 A 41 41 ALA H H 41 8.577 8.771 -0.194 1
1 392 . 15 1 1 A 41 41 ALA HA H 41 3.650 4.071 -0.421 1
1 396 . 15 1 1 A 41 41 ALA C C 41 179.559 180.411 -0.852 1
1 397 . 15 1 1 A 41 41 ALA CA C 41 55.925 55.581 0.344 1
1 398 . 15 1 1 A 41 41 ALA CB C 41 17.487 18.613 -1.126 1
1 399 . 15 1 1 A 41 41 ALA N N 41 121.362 121.040 0.322 1
1 400 . 15 1 1 A 42 42 ARG H H 42 7.986 7.755 0.231 1
1 401 . 15 1 1 A 42 42 ARG HA H 42 4.083 3.984 0.099 1
1 408 . 15 1 1 A 42 42 ARG C C 42 179.000 178.642 0.358 1
1 409 . 15 1 1 A 42 42 ARG CA C 42 58.578 59.622 -1.044 1
1 410 . 15 1 1 A 42 42 ARG CB C 42 30.495 29.956 0.539 1
1 413 . 15 1 1 A 42 42 ARG N N 42 114.579 117.609 -3.030 1
1 414 . 15 1 1 A 43 43 LYS H H 43 7.706 7.861 -0.155 1
1 415 . 15 1 1 A 43 43 LYS HA H 43 4.023 4.064 -0.041 1
1 424 . 15 1 1 A 43 43 LYS C C 43 178.248 178.499 -0.251 1
1 425 . 15 1 1 A 43 43 LYS CA C 43 59.177 58.981 0.196 1
1 426 . 15 1 1 A 43 43 LYS CB C 43 33.134 32.470 0.664 1
1 430 . 15 1 1 A 43 43 LYS N N 43 119.896 120.092 -0.196 1
1 431 . 15 1 1 A 44 44 VAL H H 44 7.681 7.791 -0.110 1
1 432 . 15 1 1 A 44 44 VAL HA H 44 4.522 4.397 0.125 1
1 440 . 15 1 1 A 44 44 VAL C C 44 174.654 174.885 -0.231 1
1 441 . 15 1 1 A 44 44 VAL CA C 44 59.912 61.363 -1.451 1
1 442 . 15 1 1 A 44 44 VAL CB C 44 30.979 31.532 -0.553 1
1 445 . 15 1 1 A 44 44 VAL N N 44 105.042 110.604 -5.562 1
1 446 . 15 1 1 A 45 45 HIS H H 45 7.398 7.630 -0.232 1
1 447 . 15 1 1 A 45 45 HIS HA H 45 4.293 4.185 0.108 1
1 451 . 15 1 1 A 45 45 HIS C C 45 174.144 173.930 0.214 1
1 452 . 15 1 1 A 45 45 HIS CA C 45 56.956 56.630 0.326 1
1 453 . 15 1 1 A 45 45 HIS CB C 45 26.353 26.573 -0.220 1
1 455 . 15 1 1 A 45 45 HIS N N 45 117.892 116.073 1.819 1
1 456 . 15 1 1 A 46 46 LEU H H 46 8.571 7.981 0.590 1
1 457 . 15 1 1 A 46 46 LEU HA H 46 4.855 4.901 -0.046 1
1 467 . 15 1 1 A 46 46 LEU C C 46 176.256 175.410 0.846 1
1 468 . 15 1 1 A 46 46 LEU CA C 46 52.689 53.434 -0.745 1
1 469 . 15 1 1 A 46 46 LEU CB C 46 47.746 45.759 1.987 1
1 473 . 15 1 1 A 46 46 LEU N N 46 119.288 118.687 0.601 1
1 474 . 15 1 1 A 47 47 ARG H H 47 7.979 8.806 -0.827 1
1 475 . 15 1 1 A 47 47 ARG HA H 47 4.439 4.513 -0.074 1
1 482 . 15 1 1 A 47 47 ARG C C 47 178.830 177.893 0.937 1
1 483 . 15 1 1 A 47 47 ARG CA C 47 55.871 55.210 0.661 1
1 484 . 15 1 1 A 47 47 ARG CB C 47 30.838 31.991 -1.153 1
1 487 . 15 1 1 A 47 47 ARG N N 47 119.085 120.529 -1.444 1
1 488 . 15 1 1 A 48 48 GLU H H 48 9.642 8.847 0.795 1
1 489 . 15 1 1 A 48 48 GLU HA H 48 3.644 3.964 -0.320 1
1 494 . 15 1 1 A 48 48 GLU C C 48 178.515 178.425 0.090 1
1 495 . 15 1 1 A 48 48 GLU CA C 48 61.612 59.585 2.027 1
1 496 . 15 1 1 A 48 48 GLU CB C 48 28.860 29.272 -0.412 1
1 498 . 15 1 1 A 48 48 GLU N N 48 125.963 122.595 3.368 1
1 499 . 15 1 1 A 49 49 GLU H H 49 9.638 8.370 1.268 1
1 500 . 15 1 1 A 49 49 GLU HA H 49 4.239 4.089 0.150 1
1 505 . 15 1 1 A 49 49 GLU C C 49 178.927 179.046 -0.119 1
1 506 . 15 1 1 A 49 49 GLU CA C 49 59.681 59.401 0.280 1
1 507 . 15 1 1 A 49 49 GLU CB C 49 28.531 29.321 -0.790 1
1 509 . 15 1 1 A 49 49 GLU N N 49 118.929 118.463 0.466 1
1 510 . 15 1 1 A 50 50 LYS H H 50 7.398 7.839 -0.441 1
1 511 . 15 1 1 A 50 50 LYS HA H 50 4.318 4.175 0.143 1
1 520 . 15 1 1 A 50 50 LYS C C 50 179.486 179.363 0.123 1
1 521 . 15 1 1 A 50 50 LYS CA C 50 58.084 59.722 -1.638 1
1 522 . 15 1 1 A 50 50 LYS CB C 50 32.487 32.442 0.045 1
1 526 . 15 1 1 A 50 50 LYS N N 50 117.569 120.032 -2.463 1
1 527 . 15 1 1 A 51 51 VAL H H 51 7.614 8.329 -0.715 1
1 528 . 15 1 1 A 51 51 VAL HA H 51 3.739 3.663 0.076 1
1 536 . 15 1 1 A 51 51 VAL C C 51 177.641 177.952 -0.311 1
1 537 . 15 1 1 A 51 51 VAL CA C 51 66.900 67.216 -0.316 1
1 538 . 15 1 1 A 51 51 VAL CB C 51 31.876 31.560 0.316 1
1 541 . 15 1 1 A 51 51 VAL N N 51 120.291 120.430 -0.139 1
1 542 . 15 1 1 A 52 52 GLU H H 52 8.274 8.069 0.205 1
1 543 . 15 1 1 A 52 52 GLU HA H 52 4.198 3.958 0.240 1
1 547 . 15 1 1 A 52 52 GLU C C 52 179.073 178.758 0.315 1
1 548 . 15 1 1 A 52 52 GLU CA C 52 60.434 59.616 0.818 1
1 549 . 15 1 1 A 52 52 GLU CB C 52 29.073 29.710 -0.637 1
1 551 . 15 1 1 A 52 52 GLU N N 52 120.105 120.412 -0.307 1
1 552 . 15 1 1 A 53 53 VAL H H 53 7.936 7.878 0.058 1
1 553 . 15 1 1 A 53 53 VAL HA H 53 3.692 3.726 -0.034 1
1 561 . 15 1 1 A 53 53 VAL C C 53 177.592 178.209 -0.617 1
1 562 . 15 1 1 A 53 53 VAL CA C 53 66.935 66.716 0.219 1
1 563 . 15 1 1 A 53 53 VAL CB C 53 32.273 31.766 0.507 1
1 566 . 15 1 1 A 53 53 VAL N N 53 119.238 119.581 -0.343 1
1 567 . 15 1 1 A 54 54 TRP H H 54 8.321 8.185 0.136 1
1 568 . 15 1 1 A 54 54 TRP HA H 54 4.083 4.026 0.057 1
1 577 . 15 1 1 A 54 54 TRP C C 54 179.802 178.236 1.566 1
1 578 . 15 1 1 A 54 54 TRP CA C 54 63.129 61.145 1.984 1
1 579 . 15 1 1 A 54 54 TRP CB C 54 28.635 29.401 -0.766 1
1 585 . 15 1 1 A 54 54 TRP N N 54 121.382 121.158 0.224 1
1 587 . 15 1 1 A 55 55 PHE H H 55 8.834 8.031 0.803 1
1 588 . 15 1 1 A 55 55 PHE HA H 55 3.676 3.810 -0.134 1
1 596 . 15 1 1 A 55 55 PHE C C 55 178.150 178.029 0.121 1
1 597 . 15 1 1 A 55 55 PHE CA C 55 64.096 62.017 2.079 1
1 598 . 15 1 1 A 55 55 PHE CB C 55 39.358 38.514 0.844 1
1 604 . 15 1 1 A 55 55 PHE N N 55 118.755 118.156 0.599 1
1 605 . 15 1 1 A 56 56 LYS H H 56 8.241 8.064 0.177 1
1 606 . 15 1 1 A 56 56 LYS HA H 56 3.977 3.855 0.122 1
1 612 . 15 1 1 A 56 56 LYS C C 56 180.166 179.121 1.045 1
1 613 . 15 1 1 A 56 56 LYS CA C 56 60.744 59.413 1.331 1
1 614 . 15 1 1 A 56 56 LYS CB C 56 32.322 32.415 -0.093 1
1 618 . 15 1 1 A 56 56 LYS N N 56 120.065 118.250 1.815 1
1 619 . 15 1 1 A 57 57 ASN H H 57 8.084 7.870 0.214 1
1 620 . 15 1 1 A 57 57 ASN HA H 57 4.367 4.274 0.093 1
1 625 . 15 1 1 A 57 57 ASN C C 57 177.422 177.845 -0.423 1
1 626 . 15 1 1 A 57 57 ASN CA C 57 55.660 56.316 -0.656 1
1 627 . 15 1 1 A 57 57 ASN CB C 57 38.008 38.028 -0.020 1
1 628 . 15 1 1 A 57 57 ASN N N 57 118.967 118.202 0.765 1
1 630 . 15 1 1 A 58 58 ARG H H 58 8.575 7.449 1.126 1
1 631 . 15 1 1 A 58 58 ARG HA H 58 3.463 3.516 -0.053 1
1 639 . 15 1 1 A 58 58 ARG C C 58 180.044 178.310 1.734 1
1 640 . 15 1 1 A 58 58 ARG CA C 58 56.568 59.455 -2.887 1
1 641 . 15 1 1 A 58 58 ARG CB C 58 28.155 29.127 -0.972 1
1 644 . 15 1 1 A 58 58 ARG N N 58 124.441 118.540 5.901 1
1 646 . 15 1 1 A 59 59 ARG H H 59 8.490 7.610 0.880 1
1 647 . 15 1 1 A 59 59 ARG HA H 59 4.334 4.116 0.218 1
1 653 . 15 1 1 A 59 59 ARG C C 59 178.223 178.372 -0.149 1
1 654 . 15 1 1 A 59 59 ARG CA C 59 60.699 59.168 1.531 1
1 655 . 15 1 1 A 59 59 ARG CB C 59 31.905 30.087 1.818 1
1 658 . 15 1 1 A 59 59 ARG N N 59 118.847 119.601 -0.754 1
1 659 . 15 1 1 A 60 60 ALA H H 60 7.459 7.868 -0.409 1
1 660 . 15 1 1 A 60 60 ALA HA H 60 4.225 4.143 0.082 1
1 664 . 15 1 1 A 60 60 ALA C C 60 179.680 179.201 0.479 1
1 665 . 15 1 1 A 60 60 ALA CA C 60 55.051 55.324 -0.273 1
1 666 . 15 1 1 A 60 60 ALA CB C 60 17.817 18.149 -0.332 1
1 667 . 15 1 1 A 60 60 ALA N N 60 121.387 121.602 -0.215 1
1 668 . 15 1 1 A 61 61 LYS H H 61 7.452 7.847 -0.395 1
1 669 . 15 1 1 A 61 61 LYS HA H 61 4.042 4.012 0.030 1
1 676 . 15 1 1 A 61 61 LYS C C 61 178.078 178.860 -0.782 1
1 677 . 15 1 1 A 61 61 LYS CA C 61 58.472 59.072 -0.600 1
1 678 . 15 1 1 A 61 61 LYS CB C 61 32.734 31.989 0.745 1
1 682 . 15 1 1 A 61 61 LYS N N 61 118.087 118.411 -0.324 1
1 683 . 15 1 1 A 62 62 TRP H H 62 8.008 7.949 0.059 1
1 684 . 15 1 1 A 62 62 TRP HA H 62 4.632 4.324 0.308 1
1 693 . 15 1 1 A 62 62 TRP C C 62 177.471 178.113 -0.642 1
1 694 . 15 1 1 A 62 62 TRP CA C 62 59.120 60.881 -1.761 1
1 695 . 15 1 1 A 62 62 TRP CB C 62 29.366 30.125 -0.759 1
1 701 . 15 1 1 A 62 62 TRP N N 62 121.749 121.919 -0.170 1
1 703 . 15 1 1 A 63 63 ARG H H 63 8.286 8.371 -0.085 1
1 704 . 15 1 1 A 63 63 ARG HA H 63 3.736 3.157 0.579 1
1 711 . 15 1 1 A 63 63 ARG C C 63 176.888 178.299 -1.411 1
1 712 . 15 1 1 A 63 63 ARG CA C 63 57.385 58.308 -0.923 1
1 713 . 15 1 1 A 63 63 ARG CB C 63 30.726 30.134 0.592 1
1 716 . 15 1 1 A 63 63 ARG N N 63 119.622 118.667 0.955 1
1 717 . 15 1 1 A 64 64 ARG H H 64 7.670 7.718 -0.048 1
1 718 . 15 1 1 A 64 64 ARG HA H 64 4.196 3.986 0.210 1
1 723 . 15 1 1 A 64 64 ARG C C 64 176.645 178.031 -1.386 1
1 724 . 15 1 1 A 64 64 ARG CA C 64 56.956 59.269 -2.313 1
1 725 . 15 1 1 A 64 64 ARG CB C 64 30.369 29.898 0.471 1
1 728 . 15 1 1 A 64 64 ARG N N 64 119.096 120.089 -0.993 1
1 729 . 15 1 1 A 65 65 SER H H 65 7.962 7.972 -0.010 1
1 730 . 15 1 1 A 65 65 SER HA H 65 4.474 4.137 0.337 1
1 733 . 15 1 1 A 65 65 SER C C 65 174.435 175.924 -1.489 1
1 734 . 15 1 1 A 65 65 SER CA C 65 58.837 61.660 -2.823 1
1 735 . 15 1 1 A 65 65 SER CB C 65 63.947 62.886 1.061 1
1 736 . 15 1 1 A 65 65 SER N N 65 115.352 114.182 1.170 1
1 737 . 15 1 1 A 66 66 GLY H H 66 8.031 7.854 0.177 1
1 738 . 15 1 1 A 66 66 GLY HA2 H 66 4.068 3.825 0.243 1
1 739 . 15 1 1 A 66 66 GLY C C 66 171.813 173.153 -1.340 1
1 740 . 15 1 1 A 66 66 GLY CA C 66 44.800 45.381 -0.581 1
1 741 . 15 1 1 A 66 66 GLY N N 66 110.503 108.166 2.337 1
1 742 . 15 1 1 A 67 67 PRO HA H 67 4.456 4.580 -0.124 1
1 747 . 15 1 1 A 67 67 PRO CA C 67 63.352 62.568 0.784 1
1 748 . 15 1 1 A 67 67 PRO CB C 67 32.167 31.592 0.575 1
1 751 . 15 1 1 A 68 68 SER HA H 68 4.457 4.462 -0.005 1
1 754 . 15 1 1 A 68 68 SER C C 68 174.654 173.826 0.828 1
1 755 . 15 1 1 A 68 68 SER CA C 68 58.612 58.457 0.155 1
1 756 . 15 1 1 A 68 68 SER CB C 68 63.845 63.902 -0.057 1
1 757 . 15 1 1 A 69 69 SER HA H 69 4.491 5.192 -0.701 1
1 760 . 15 1 1 A 69 69 SER C C 69 173.925 173.513 0.412 1
1 761 . 15 1 1 A 69 69 SER CA C 69 58.423 56.879 1.544 1
1 762 . 15 1 1 A 69 69 SER CB C 69 63.969 65.982 -2.013 1
1 1 . 16 1 1 A 10 10 HIS HA H 10 4.605 4.173 0.432 1
1 5 . 16 1 1 A 10 10 HIS CA C 10 56.397 59.911 -3.514 1
1 6 . 16 1 1 A 10 10 HIS CB C 10 29.857 30.545 -0.688 1
1 8 . 16 1 1 A 12 12 THR HA H 12 4.305 4.727 -0.422 1
1 13 . 16 1 1 A 12 12 THR C C 12 173.925 174.661 -0.736 1
1 14 . 16 1 1 A 12 12 THR CA C 12 62.068 61.346 0.722 1
1 15 . 16 1 1 A 12 12 THR CB C 12 69.817 72.386 -2.569 1
1 17 . 16 1 1 A 13 13 ILE H H 13 8.188 8.544 -0.356 1
1 18 . 16 1 1 A 13 13 ILE HA H 13 4.139 3.648 0.491 1
1 28 . 16 1 1 A 13 13 ILE C C 13 175.795 176.600 -0.805 1
1 29 . 16 1 1 A 13 13 ILE CA C 13 61.202 64.973 -3.771 1
1 30 . 16 1 1 A 13 13 ILE CB C 13 38.686 37.882 0.804 1
1 34 . 16 1 1 A 13 13 ILE N N 13 123.673 125.288 -1.615 1
1 35 . 16 1 1 A 14 14 PHE H H 14 8.178 8.023 0.155 1
1 36 . 16 1 1 A 14 14 PHE HA H 14 4.977 4.954 0.023 1
1 44 . 16 1 1 A 14 14 PHE C C 14 176.475 175.412 1.063 1
1 45 . 16 1 1 A 14 14 PHE CA C 14 57.025 58.219 -1.194 1
1 46 . 16 1 1 A 14 14 PHE CB C 14 41.482 40.045 1.437 1
1 52 . 16 1 1 A 14 14 PHE N N 14 122.586 119.000 3.586 1
1 53 . 16 1 1 A 15 15 THR H H 15 8.792 8.479 0.313 1
1 54 . 16 1 1 A 15 15 THR HA H 15 4.462 4.826 -0.364 1
1 59 . 16 1 1 A 15 15 THR C C 15 175.261 175.624 -0.363 1
1 60 . 16 1 1 A 15 15 THR CA C 15 60.623 59.866 0.757 1
1 61 . 16 1 1 A 15 15 THR CB C 15 70.645 71.133 -0.488 1
1 63 . 16 1 1 A 15 15 THR N N 15 113.201 114.543 -1.342 1
1 64 . 16 1 1 A 16 16 ASP H H 16 9.018 9.264 -0.246 1
1 65 . 16 1 1 A 16 16 ASP HA H 16 4.371 4.332 0.039 1
1 68 . 16 1 1 A 16 16 ASP C C 16 178.806 177.973 0.833 1
1 69 . 16 1 1 A 16 16 ASP CA C 16 58.163 57.309 0.854 1
1 70 . 16 1 1 A 16 16 ASP CB C 16 39.689 40.039 -0.350 1
1 71 . 16 1 1 A 16 16 ASP N N 16 121.802 125.311 -3.509 1
1 72 . 16 1 1 A 17 17 GLU H H 17 8.785 8.255 0.530 1
1 73 . 16 1 1 A 17 17 GLU HA H 17 4.054 3.935 0.119 1
1 78 . 16 1 1 A 17 17 GLU C C 17 180.044 178.980 1.064 1
1 79 . 16 1 1 A 17 17 GLU CA C 17 59.706 59.791 -0.085 1
1 80 . 16 1 1 A 17 17 GLU CB C 17 29.520 29.001 0.519 1
1 82 . 16 1 1 A 17 17 GLU N N 17 119.474 119.532 -0.058 1
1 83 . 16 1 1 A 18 18 GLN H H 18 7.700 8.168 -0.468 1
1 84 . 16 1 1 A 18 18 GLN HA H 18 3.665 3.757 -0.092 1
1 91 . 16 1 1 A 18 18 GLN C C 18 177.009 178.698 -1.689 1
1 92 . 16 1 1 A 18 18 GLN CA C 18 59.354 59.160 0.194 1
1 93 . 16 1 1 A 18 18 GLN CB C 18 27.377 28.120 -0.743 1
1 95 . 16 1 1 A 18 18 GLN N N 18 119.784 118.768 1.016 1
1 97 . 16 1 1 A 19 19 LEU H H 19 8.383 8.243 0.140 1
1 98 . 16 1 1 A 19 19 LEU HA H 19 3.585 3.480 0.105 1
1 108 . 16 1 1 A 19 19 LEU C C 19 178.830 178.488 0.342 1
1 109 . 16 1 1 A 19 19 LEU CA C 19 57.908 57.736 0.172 1
1 110 . 16 1 1 A 19 19 LEU CB C 19 41.703 40.966 0.737 1
1 114 . 16 1 1 A 19 19 LEU N N 19 117.889 119.563 -1.674 1
1 115 . 16 1 1 A 20 20 GLU H H 20 8.119 8.574 -0.455 1
1 116 . 16 1 1 A 20 20 GLU HA H 20 3.897 3.970 -0.073 1
1 121 . 16 1 1 A 20 20 GLU C C 20 178.126 178.541 -0.415 1
1 122 . 16 1 1 A 20 20 GLU CA C 20 59.248 59.660 -0.412 1
1 123 . 16 1 1 A 20 20 GLU CB C 20 29.697 29.416 0.281 1
1 125 . 16 1 1 A 20 20 GLU N N 20 118.697 118.736 -0.039 1
1 126 . 16 1 1 A 21 21 ALA H H 21 7.309 7.569 -0.260 1
1 127 . 16 1 1 A 21 21 ALA HA H 21 4.057 4.049 0.008 1
1 131 . 16 1 1 A 21 21 ALA C C 21 180.773 179.565 1.208 1
1 132 . 16 1 1 A 21 21 ALA CA C 21 54.947 55.138 -0.191 1
1 133 . 16 1 1 A 21 21 ALA CB C 21 18.888 18.678 0.210 1
1 134 . 16 1 1 A 21 21 ALA N N 21 120.540 121.253 -0.713 1
1 135 . 16 1 1 A 22 22 LEU H H 22 8.070 7.917 0.153 1
1 136 . 16 1 1 A 22 22 LEU HA H 22 3.428 3.776 -0.348 1
1 146 . 16 1 1 A 22 22 LEU C C 22 177.131 179.138 -2.007 1
1 147 . 16 1 1 A 22 22 LEU CA C 22 58.408 57.848 0.560 1
1 148 . 16 1 1 A 22 22 LEU CB C 22 38.173 40.563 -2.390 1
1 152 . 16 1 1 A 22 22 LEU N N 22 121.563 117.656 3.907 1
1 153 . 16 1 1 A 23 23 GLU H H 23 7.997 8.130 -0.133 1
1 154 . 16 1 1 A 23 23 GLU HA H 23 4.289 4.113 0.176 1
1 159 . 16 1 1 A 23 23 GLU C C 23 179.510 179.317 0.193 1
1 160 . 16 1 1 A 23 23 GLU CA C 23 58.734 59.734 -1.000 1
1 161 . 16 1 1 A 23 23 GLU CB C 23 28.879 29.454 -0.575 1
1 163 . 16 1 1 A 23 23 GLU N N 23 118.641 117.451 1.190 1
1 164 . 16 1 1 A 24 24 ASN H H 24 8.282 8.369 -0.087 1
1 165 . 16 1 1 A 24 24 ASN HA H 24 4.443 4.522 -0.079 1
1 170 . 16 1 1 A 24 24 ASN C C 24 178.563 177.493 1.070 1
1 171 . 16 1 1 A 24 24 ASN CA C 24 56.145 56.807 -0.662 1
1 172 . 16 1 1 A 24 24 ASN CB C 24 38.055 39.011 -0.956 1
1 173 . 16 1 1 A 24 24 ASN N N 24 117.495 118.212 -0.717 1
1 175 . 16 1 1 A 25 25 LEU H H 25 7.852 7.978 -0.126 1
1 176 . 16 1 1 A 25 25 LEU HA H 25 4.445 4.212 0.233 1
1 186 . 16 1 1 A 25 25 LEU C C 25 177.276 178.380 -1.104 1
1 187 . 16 1 1 A 25 25 LEU CA C 25 57.963 57.589 0.374 1
1 188 . 16 1 1 A 25 25 LEU CB C 25 40.400 42.204 -1.804 1
1 192 . 16 1 1 A 25 25 LEU N N 25 121.261 120.912 0.349 1
1 193 . 16 1 1 A 26 26 PHE H H 26 8.711 8.788 -0.077 1
1 194 . 16 1 1 A 26 26 PHE HA H 26 4.628 4.396 0.232 1
1 202 . 16 1 1 A 26 26 PHE C C 26 176.232 177.728 -1.496 1
1 203 . 16 1 1 A 26 26 PHE CA C 26 61.011 60.993 0.018 1
1 204 . 16 1 1 A 26 26 PHE CB C 26 38.906 38.712 0.194 1
1 210 . 16 1 1 A 26 26 PHE N N 26 120.816 119.458 1.358 1
1 211 . 16 1 1 A 27 27 GLN H H 27 8.007 8.600 -0.593 1
1 212 . 16 1 1 A 27 27 GLN HA H 27 3.665 3.685 -0.020 1
1 219 . 16 1 1 A 27 27 GLN C C 27 177.106 178.630 -1.524 1
1 220 . 16 1 1 A 27 27 GLN CA C 27 57.892 59.282 -1.390 1
1 221 . 16 1 1 A 27 27 GLN CB C 27 28.195 28.499 -0.304 1
1 223 . 16 1 1 A 27 27 GLN N N 27 114.037 118.036 -3.999 1
1 225 . 16 1 1 A 28 28 GLU H H 28 7.467 8.107 -0.640 1
1 226 . 16 1 1 A 28 28 GLU HA H 28 4.190 4.159 0.031 1
1 231 . 16 1 1 A 28 28 GLU C C 28 177.106 176.103 1.003 1
1 232 . 16 1 1 A 28 28 GLU CA C 28 58.138 58.677 -0.539 1
1 233 . 16 1 1 A 28 28 GLU CB C 28 30.756 29.135 1.621 1
1 235 . 16 1 1 A 28 28 GLU N N 28 119.193 117.332 1.861 1
1 236 . 16 1 1 A 29 29 THR H H 29 8.971 7.934 1.037 1
1 237 . 16 1 1 A 29 29 THR HA H 29 4.321 4.624 -0.303 1
1 242 . 16 1 1 A 29 29 THR C C 29 170.526 173.659 -3.133 1
1 243 . 16 1 1 A 29 29 THR CA C 29 59.885 60.141 -0.256 1
1 244 . 16 1 1 A 29 29 THR CB C 29 69.656 70.853 -1.197 1
1 246 . 16 1 1 A 29 29 THR N N 29 116.904 113.489 3.415 1
1 247 . 16 1 1 A 30 30 LYS H H 30 7.942 8.536 -0.594 1
1 248 . 16 1 1 A 30 30 LYS HA H 30 3.765 3.799 -0.034 1
1 257 . 16 1 1 A 30 30 LYS C C 30 175.844 176.383 -0.539 1
1 258 . 16 1 1 A 30 30 LYS CA C 30 56.583 57.542 -0.959 1
1 259 . 16 1 1 A 30 30 LYS CB C 30 32.421 32.830 -0.409 1
1 263 . 16 1 1 A 30 30 LYS N N 30 123.132 125.572 -2.440 1
1 264 . 16 1 1 A 31 31 TYR H H 31 7.788 7.906 -0.118 1
1 265 . 16 1 1 A 31 31 TYR HA H 31 4.608 5.109 -0.501 1
1 272 . 16 1 1 A 31 31 TYR C C 31 172.687 173.249 -0.562 1
1 273 . 16 1 1 A 31 31 TYR CA C 31 54.864 54.617 0.247 1
1 274 . 16 1 1 A 31 31 TYR CB C 31 38.777 39.099 -0.322 1
1 279 . 16 1 1 A 31 31 TYR N N 31 113.626 116.994 -3.368 1
1 280 . 16 1 1 A 32 32 PRO HA H 32 4.399 4.599 -0.200 1
1 287 . 16 1 1 A 32 32 PRO C C 32 177.203 175.443 1.760 1
1 288 . 16 1 1 A 32 32 PRO CA C 32 62.668 62.452 0.216 1
1 289 . 16 1 1 A 32 32 PRO CB C 32 31.394 32.714 -1.320 1
1 292 . 16 1 1 A 33 33 ASP H H 33 8.548 8.636 -0.088 1
1 293 . 16 1 1 A 33 33 ASP HA H 33 4.473 4.977 -0.504 1
1 296 . 16 1 1 A 33 33 ASP C C 33 175.989 177.571 -1.582 1
1 297 . 16 1 1 A 33 33 ASP CA C 33 52.775 53.195 -0.420 1
1 298 . 16 1 1 A 33 33 ASP CB C 33 41.295 41.764 -0.469 1
1 299 . 16 1 1 A 33 33 ASP N N 33 123.152 120.675 2.477 1
1 300 . 16 1 1 A 34 34 VAL H H 34 8.493 8.530 -0.037 1
1 301 . 16 1 1 A 34 34 VAL HA H 34 3.522 3.758 -0.236 1
1 309 . 16 1 1 A 34 34 VAL C C 34 177.203 177.987 -0.784 1
1 310 . 16 1 1 A 34 34 VAL CA C 34 66.618 65.759 0.859 1
1 311 . 16 1 1 A 34 34 VAL CB C 34 31.697 31.807 -0.110 1
1 314 . 16 1 1 A 34 34 VAL N N 34 119.474 125.351 -5.877 1
1 315 . 16 1 1 A 35 35 GLY H H 35 8.389 8.248 0.141 1
1 316 . 16 1 1 A 35 35 GLY HA2 H 35 3.901 3.794 0.107 1
1 317 . 16 1 1 A 35 35 GLY HA3 H 35 3.901 3.795 0.106 1
1 318 . 16 1 1 A 35 35 GLY C C 35 176.985 176.424 0.561 1
1 319 . 16 1 1 A 35 35 GLY CA C 35 46.976 47.474 -0.498 1
1 320 . 16 1 1 A 35 35 GLY N N 35 109.478 108.678 0.800 1
1 321 . 16 1 1 A 36 36 THR H H 36 8.142 7.931 0.211 1
1 322 . 16 1 1 A 36 36 THR HA H 36 3.918 4.033 -0.115 1
1 327 . 16 1 1 A 36 36 THR C C 36 177.616 176.659 0.957 1
1 328 . 16 1 1 A 36 36 THR CA C 36 66.957 66.127 0.830 1
1 329 . 16 1 1 A 36 36 THR CB C 36 67.887 68.154 -0.267 1
1 331 . 16 1 1 A 36 36 THR N N 36 121.210 117.637 3.573 1
1 332 . 16 1 1 A 37 37 ARG H H 37 8.396 8.397 -0.001 1
1 333 . 16 1 1 A 37 37 ARG HA H 37 3.712 3.949 -0.237 1
1 341 . 16 1 1 A 37 37 ARG C C 37 177.980 179.398 -1.418 1
1 342 . 16 1 1 A 37 37 ARG CA C 37 61.187 59.832 1.355 1
1 343 . 16 1 1 A 37 37 ARG CB C 37 31.250 30.200 1.050 1
1 346 . 16 1 1 A 37 37 ARG N N 37 121.196 120.072 1.124 1
1 348 . 16 1 1 A 38 38 GLU H H 38 8.843 8.629 0.214 1
1 349 . 16 1 1 A 38 38 GLU HA H 38 3.905 4.027 -0.122 1
1 354 . 16 1 1 A 38 38 GLU C C 38 178.636 179.201 -0.565 1
1 355 . 16 1 1 A 38 38 GLU CA C 38 59.797 59.256 0.541 1
1 356 . 16 1 1 A 38 38 GLU CB C 38 29.529 29.239 0.290 1
1 358 . 16 1 1 A 38 38 GLU N N 38 119.875 119.667 0.208 1
1 359 . 16 1 1 A 39 39 GLN H H 39 7.939 7.458 0.481 1
1 360 . 16 1 1 A 39 39 GLN HA H 39 3.977 4.013 -0.036 1
1 367 . 16 1 1 A 39 39 GLN C C 39 178.782 177.877 0.905 1
1 368 . 16 1 1 A 39 39 GLN CA C 39 59.078 58.843 0.235 1
1 369 . 16 1 1 A 39 39 GLN CB C 39 28.426 28.404 0.022 1
1 371 . 16 1 1 A 39 39 GLN N N 39 118.456 118.871 -0.415 1
1 373 . 16 1 1 A 40 40 LEU H H 40 7.515 8.304 -0.789 1
1 374 . 16 1 1 A 40 40 LEU HA H 40 4.129 4.011 0.118 1
1 384 . 16 1 1 A 40 40 LEU C C 40 178.150 178.150 0.000 1
1 385 . 16 1 1 A 40 40 LEU CA C 40 58.273 58.247 0.026 1
1 386 . 16 1 1 A 40 40 LEU CB C 40 41.194 41.459 -0.265 1
1 390 . 16 1 1 A 40 40 LEU N N 40 121.414 122.191 -0.777 1
1 391 . 16 1 1 A 41 41 ALA H H 41 8.577 8.719 -0.142 1
1 392 . 16 1 1 A 41 41 ALA HA H 41 3.650 4.050 -0.400 1
1 396 . 16 1 1 A 41 41 ALA C C 41 179.559 180.348 -0.789 1
1 397 . 16 1 1 A 41 41 ALA CA C 41 55.925 55.541 0.384 1
1 398 . 16 1 1 A 41 41 ALA CB C 41 17.487 18.628 -1.141 1
1 399 . 16 1 1 A 41 41 ALA N N 41 121.362 120.969 0.393 1
1 400 . 16 1 1 A 42 42 ARG H H 42 7.986 7.757 0.229 1
1 401 . 16 1 1 A 42 42 ARG HA H 42 4.083 4.005 0.078 1
1 408 . 16 1 1 A 42 42 ARG C C 42 179.000 178.593 0.407 1
1 409 . 16 1 1 A 42 42 ARG CA C 42 58.578 59.681 -1.103 1
1 410 . 16 1 1 A 42 42 ARG CB C 42 30.495 29.965 0.530 1
1 413 . 16 1 1 A 42 42 ARG N N 42 114.579 117.593 -3.014 1
1 414 . 16 1 1 A 43 43 LYS H H 43 7.706 7.815 -0.109 1
1 415 . 16 1 1 A 43 43 LYS HA H 43 4.023 3.989 0.034 1
1 424 . 16 1 1 A 43 43 LYS C C 43 178.248 178.349 -0.101 1
1 425 . 16 1 1 A 43 43 LYS CA C 43 59.177 58.855 0.322 1
1 426 . 16 1 1 A 43 43 LYS CB C 43 33.134 32.347 0.787 1
1 430 . 16 1 1 A 43 43 LYS N N 43 119.896 120.482 -0.586 1
1 431 . 16 1 1 A 44 44 VAL H H 44 7.681 7.746 -0.065 1
1 432 . 16 1 1 A 44 44 VAL HA H 44 4.522 4.262 0.260 1
1 440 . 16 1 1 A 44 44 VAL C C 44 174.654 174.792 -0.138 1
1 441 . 16 1 1 A 44 44 VAL CA C 44 59.912 61.363 -1.451 1
1 442 . 16 1 1 A 44 44 VAL CB C 44 30.979 31.580 -0.601 1
1 445 . 16 1 1 A 44 44 VAL N N 44 105.042 110.380 -5.338 1
1 446 . 16 1 1 A 45 45 HIS H H 45 7.398 7.589 -0.191 1
1 447 . 16 1 1 A 45 45 HIS HA H 45 4.293 4.187 0.106 1
1 451 . 16 1 1 A 45 45 HIS C C 45 174.144 173.959 0.185 1
1 452 . 16 1 1 A 45 45 HIS CA C 45 56.956 56.659 0.297 1
1 453 . 16 1 1 A 45 45 HIS CB C 45 26.353 26.621 -0.268 1
1 455 . 16 1 1 A 45 45 HIS N N 45 117.892 116.034 1.858 1
1 456 . 16 1 1 A 46 46 LEU H H 46 8.571 7.912 0.659 1
1 457 . 16 1 1 A 46 46 LEU HA H 46 4.855 4.950 -0.095 1
1 467 . 16 1 1 A 46 46 LEU C C 46 176.256 175.206 1.050 1
1 468 . 16 1 1 A 46 46 LEU CA C 46 52.689 53.350 -0.661 1
1 469 . 16 1 1 A 46 46 LEU CB C 46 47.746 45.798 1.948 1
1 473 . 16 1 1 A 46 46 LEU N N 46 119.288 118.711 0.577 1
1 474 . 16 1 1 A 47 47 ARG H H 47 7.979 8.793 -0.814 1
1 475 . 16 1 1 A 47 47 ARG HA H 47 4.439 4.524 -0.085 1
1 482 . 16 1 1 A 47 47 ARG C C 47 178.830 177.762 1.068 1
1 483 . 16 1 1 A 47 47 ARG CA C 47 55.871 54.965 0.906 1
1 484 . 16 1 1 A 47 47 ARG CB C 47 30.838 32.106 -1.268 1
1 487 . 16 1 1 A 47 47 ARG N N 47 119.085 120.166 -1.081 1
1 488 . 16 1 1 A 48 48 GLU H H 48 9.642 8.861 0.781 1
1 489 . 16 1 1 A 48 48 GLU HA H 48 3.644 3.962 -0.318 1
1 494 . 16 1 1 A 48 48 GLU C C 48 178.515 178.403 0.112 1
1 495 . 16 1 1 A 48 48 GLU CA C 48 61.612 59.864 1.748 1
1 496 . 16 1 1 A 48 48 GLU CB C 48 28.860 29.396 -0.536 1
1 498 . 16 1 1 A 48 48 GLU N N 48 125.963 122.630 3.333 1
1 499 . 16 1 1 A 49 49 GLU H H 49 9.638 8.373 1.265 1
1 500 . 16 1 1 A 49 49 GLU HA H 49 4.239 4.100 0.139 1
1 505 . 16 1 1 A 49 49 GLU C C 49 178.927 179.049 -0.122 1
1 506 . 16 1 1 A 49 49 GLU CA C 49 59.681 59.332 0.349 1
1 507 . 16 1 1 A 49 49 GLU CB C 49 28.531 29.448 -0.917 1
1 509 . 16 1 1 A 49 49 GLU N N 49 118.929 118.335 0.594 1
1 510 . 16 1 1 A 50 50 LYS H H 50 7.398 7.916 -0.518 1
1 511 . 16 1 1 A 50 50 LYS HA H 50 4.318 4.146 0.172 1
1 520 . 16 1 1 A 50 50 LYS C C 50 179.486 179.480 0.006 1
1 521 . 16 1 1 A 50 50 LYS CA C 50 58.084 59.589 -1.505 1
1 522 . 16 1 1 A 50 50 LYS CB C 50 32.487 32.639 -0.152 1
1 526 . 16 1 1 A 50 50 LYS N N 50 117.569 120.045 -2.476 1
1 527 . 16 1 1 A 51 51 VAL H H 51 7.614 8.137 -0.523 1
1 528 . 16 1 1 A 51 51 VAL HA H 51 3.739 3.573 0.166 1
1 536 . 16 1 1 A 51 51 VAL C C 51 177.641 177.977 -0.336 1
1 537 . 16 1 1 A 51 51 VAL CA C 51 66.900 67.150 -0.250 1
1 538 . 16 1 1 A 51 51 VAL CB C 51 31.876 31.504 0.372 1
1 541 . 16 1 1 A 51 51 VAL N N 51 120.291 120.477 -0.186 1
1 542 . 16 1 1 A 52 52 GLU H H 52 8.274 7.969 0.305 1
1 543 . 16 1 1 A 52 52 GLU HA H 52 4.198 3.913 0.285 1
1 547 . 16 1 1 A 52 52 GLU C C 52 179.073 178.751 0.322 1
1 548 . 16 1 1 A 52 52 GLU CA C 52 60.434 59.521 0.913 1
1 549 . 16 1 1 A 52 52 GLU CB C 52 29.073 29.722 -0.649 1
1 551 . 16 1 1 A 52 52 GLU N N 52 120.105 120.319 -0.214 1
1 552 . 16 1 1 A 53 53 VAL H H 53 7.936 7.975 -0.039 1
1 553 . 16 1 1 A 53 53 VAL HA H 53 3.692 3.741 -0.049 1
1 561 . 16 1 1 A 53 53 VAL C C 53 177.592 178.379 -0.787 1
1 562 . 16 1 1 A 53 53 VAL CA C 53 66.935 66.640 0.295 1
1 563 . 16 1 1 A 53 53 VAL CB C 53 32.273 31.816 0.457 1
1 566 . 16 1 1 A 53 53 VAL N N 53 119.238 119.208 0.030 1
1 567 . 16 1 1 A 54 54 TRP H H 54 8.321 8.150 0.171 1
1 568 . 16 1 1 A 54 54 TRP HA H 54 4.083 4.260 -0.177 1
1 577 . 16 1 1 A 54 54 TRP C C 54 179.802 178.011 1.791 1
1 578 . 16 1 1 A 54 54 TRP CA C 54 63.129 61.980 1.149 1
1 579 . 16 1 1 A 54 54 TRP CB C 54 28.635 30.710 -2.075 1
1 585 . 16 1 1 A 54 54 TRP N N 54 121.382 121.426 -0.044 1
1 587 . 16 1 1 A 55 55 PHE H H 55 8.834 8.510 0.324 1
1 588 . 16 1 1 A 55 55 PHE HA H 55 3.676 3.907 -0.231 1
1 596 . 16 1 1 A 55 55 PHE C C 55 178.150 178.086 0.064 1
1 597 . 16 1 1 A 55 55 PHE CA C 55 64.096 61.867 2.229 1
1 598 . 16 1 1 A 55 55 PHE CB C 55 39.358 38.652 0.706 1
1 604 . 16 1 1 A 55 55 PHE N N 55 118.755 118.017 0.738 1
1 605 . 16 1 1 A 56 56 LYS H H 56 8.241 7.965 0.276 1
1 606 . 16 1 1 A 56 56 LYS HA H 56 3.977 4.032 -0.055 1
1 612 . 16 1 1 A 56 56 LYS C C 56 180.166 179.834 0.332 1
1 613 . 16 1 1 A 56 56 LYS CA C 56 60.744 59.168 1.576 1
1 614 . 16 1 1 A 56 56 LYS CB C 56 32.322 32.262 0.060 1
1 618 . 16 1 1 A 56 56 LYS N N 56 120.065 118.765 1.300 1
1 619 . 16 1 1 A 57 57 ASN H H 57 8.084 8.151 -0.067 1
1 620 . 16 1 1 A 57 57 ASN HA H 57 4.367 4.403 -0.036 1
1 625 . 16 1 1 A 57 57 ASN C C 57 177.422 177.432 -0.010 1
1 626 . 16 1 1 A 57 57 ASN CA C 57 55.660 55.672 -0.012 1
1 627 . 16 1 1 A 57 57 ASN CB C 57 38.008 37.819 0.189 1
1 628 . 16 1 1 A 57 57 ASN N N 57 118.967 118.083 0.884 1
1 630 . 16 1 1 A 58 58 ARG H H 58 8.575 7.885 0.690 1
1 631 . 16 1 1 A 58 58 ARG HA H 58 3.463 3.605 -0.142 1
1 639 . 16 1 1 A 58 58 ARG C C 58 180.044 177.955 2.089 1
1 640 . 16 1 1 A 58 58 ARG CA C 58 56.568 58.590 -2.022 1
1 641 . 16 1 1 A 58 58 ARG CB C 58 28.155 28.742 -0.587 1
1 644 . 16 1 1 A 58 58 ARG N N 58 124.441 120.340 4.101 1
1 646 . 16 1 1 A 59 59 ARG H H 59 8.490 7.979 0.511 1
1 647 . 16 1 1 A 59 59 ARG HA H 59 4.334 4.115 0.219 1
1 653 . 16 1 1 A 59 59 ARG C C 59 178.223 178.875 -0.652 1
1 654 . 16 1 1 A 59 59 ARG CA C 59 60.699 59.506 1.193 1
1 655 . 16 1 1 A 59 59 ARG CB C 59 31.905 29.962 1.943 1
1 658 . 16 1 1 A 59 59 ARG N N 59 118.847 118.602 0.245 1
1 659 . 16 1 1 A 60 60 ALA H H 60 7.459 7.954 -0.495 1
1 660 . 16 1 1 A 60 60 ALA HA H 60 4.225 4.123 0.102 1
1 664 . 16 1 1 A 60 60 ALA C C 60 179.680 179.253 0.427 1
1 665 . 16 1 1 A 60 60 ALA CA C 60 55.051 55.080 -0.029 1
1 666 . 16 1 1 A 60 60 ALA CB C 60 17.817 18.490 -0.673 1
1 667 . 16 1 1 A 60 60 ALA N N 60 121.387 121.651 -0.264 1
1 668 . 16 1 1 A 61 61 LYS H H 61 7.452 7.640 -0.188 1
1 669 . 16 1 1 A 61 61 LYS HA H 61 4.042 4.088 -0.046 1
1 676 . 16 1 1 A 61 61 LYS C C 61 178.078 178.294 -0.216 1
1 677 . 16 1 1 A 61 61 LYS CA C 61 58.472 59.284 -0.812 1
1 678 . 16 1 1 A 61 61 LYS CB C 61 32.734 32.115 0.619 1
1 682 . 16 1 1 A 61 61 LYS N N 61 118.087 118.688 -0.601 1
1 683 . 16 1 1 A 62 62 TRP H H 62 8.008 8.553 -0.545 1
1 684 . 16 1 1 A 62 62 TRP HA H 62 4.632 4.250 0.382 1
1 693 . 16 1 1 A 62 62 TRP C C 62 177.471 178.543 -1.072 1
1 694 . 16 1 1 A 62 62 TRP CA C 62 59.120 60.736 -1.616 1
1 695 . 16 1 1 A 62 62 TRP CB C 62 29.366 29.754 -0.388 1
1 701 . 16 1 1 A 62 62 TRP N N 62 121.749 122.017 -0.268 1
1 703 . 16 1 1 A 63 63 ARG H H 63 8.286 8.038 0.248 1
1 704 . 16 1 1 A 63 63 ARG HA H 63 3.736 3.307 0.429 1
1 711 . 16 1 1 A 63 63 ARG C C 63 176.888 178.389 -1.501 1
1 712 . 16 1 1 A 63 63 ARG CA C 63 57.385 58.877 -1.492 1
1 713 . 16 1 1 A 63 63 ARG CB C 63 30.726 29.887 0.839 1
1 716 . 16 1 1 A 63 63 ARG N N 63 119.622 118.697 0.925 1
1 717 . 16 1 1 A 64 64 ARG H H 64 7.670 7.857 -0.187 1
1 718 . 16 1 1 A 64 64 ARG HA H 64 4.196 3.997 0.199 1
1 723 . 16 1 1 A 64 64 ARG C C 64 176.645 178.556 -1.911 1
1 724 . 16 1 1 A 64 64 ARG CA C 64 56.956 59.277 -2.321 1
1 725 . 16 1 1 A 64 64 ARG CB C 64 30.369 30.131 0.238 1
1 728 . 16 1 1 A 64 64 ARG N N 64 119.096 120.005 -0.909 1
1 729 . 16 1 1 A 65 65 SER H H 65 7.962 8.120 -0.158 1
1 730 . 16 1 1 A 65 65 SER HA H 65 4.474 4.182 0.292 1
1 733 . 16 1 1 A 65 65 SER C C 65 174.435 176.034 -1.599 1
1 734 . 16 1 1 A 65 65 SER CA C 65 58.837 62.420 -3.583 1
1 735 . 16 1 1 A 65 65 SER CB C 65 63.947 62.650 1.297 1
1 736 . 16 1 1 A 65 65 SER N N 65 115.352 116.007 -0.655 1
1 737 . 16 1 1 A 66 66 GLY H H 66 8.031 7.215 0.816 1
1 738 . 16 1 1 A 66 66 GLY HA2 H 66 4.068 3.775 0.293 1
1 739 . 16 1 1 A 66 66 GLY C C 66 171.813 172.936 -1.123 1
1 740 . 16 1 1 A 66 66 GLY CA C 66 44.800 44.531 0.269 1
1 741 . 16 1 1 A 66 66 GLY N N 66 110.503 109.212 1.291 1
1 742 . 16 1 1 A 67 67 PRO HA H 67 4.456 4.602 -0.146 1
1 747 . 16 1 1 A 67 67 PRO CA C 67 63.352 62.692 0.660 1
1 748 . 16 1 1 A 67 67 PRO CB C 67 32.167 33.093 -0.926 1
1 751 . 16 1 1 A 68 68 SER HA H 68 4.457 4.732 -0.275 1
1 754 . 16 1 1 A 68 68 SER C C 68 174.654 174.301 0.353 1
1 755 . 16 1 1 A 68 68 SER CA C 68 58.612 57.121 1.491 1
1 756 . 16 1 1 A 68 68 SER CB C 68 63.845 65.630 -1.785 1
1 757 . 16 1 1 A 69 69 SER HA H 69 4.491 4.199 0.292 1
1 760 . 16 1 1 A 69 69 SER C C 69 173.925 174.915 -0.990 1
1 761 . 16 1 1 A 69 69 SER CA C 69 58.423 60.876 -2.453 1
1 762 . 16 1 1 A 69 69 SER CB C 69 63.969 63.409 0.560 1
1 1 . 17 1 1 A 10 10 HIS HA H 10 4.605 4.247 0.358 1
1 5 . 17 1 1 A 10 10 HIS CA C 10 56.397 59.983 -3.586 1
1 6 . 17 1 1 A 10 10 HIS CB C 10 29.857 29.807 0.050 1
1 8 . 17 1 1 A 12 12 THR HA H 12 4.305 4.256 0.049 1
1 13 . 17 1 1 A 12 12 THR C C 12 173.925 173.841 0.084 1
1 14 . 17 1 1 A 12 12 THR CA C 12 62.068 63.600 -1.532 1
1 15 . 17 1 1 A 12 12 THR CB C 12 69.817 69.327 0.490 1
1 17 . 17 1 1 A 13 13 ILE H H 13 8.188 8.662 -0.474 1
1 18 . 17 1 1 A 13 13 ILE HA H 13 4.139 4.637 -0.498 1
1 28 . 17 1 1 A 13 13 ILE C C 13 175.795 173.410 2.385 1
1 29 . 17 1 1 A 13 13 ILE CA C 13 61.202 58.496 2.706 1
1 30 . 17 1 1 A 13 13 ILE CB C 13 38.686 41.657 -2.971 1
1 34 . 17 1 1 A 13 13 ILE N N 13 123.673 128.655 -4.982 1
1 35 . 17 1 1 A 14 14 PHE H H 14 8.178 8.793 -0.615 1
1 36 . 17 1 1 A 14 14 PHE HA H 14 4.977 5.601 -0.624 1
1 44 . 17 1 1 A 14 14 PHE C C 14 176.475 175.628 0.847 1
1 45 . 17 1 1 A 14 14 PHE CA C 14 57.025 55.974 1.051 1
1 46 . 17 1 1 A 14 14 PHE CB C 14 41.482 42.196 -0.714 1
1 52 . 17 1 1 A 14 14 PHE N N 14 122.586 126.304 -3.718 1
1 53 . 17 1 1 A 15 15 THR H H 15 8.792 9.100 -0.308 1
1 54 . 17 1 1 A 15 15 THR HA H 15 4.462 4.702 -0.240 1
1 59 . 17 1 1 A 15 15 THR C C 15 175.261 175.721 -0.460 1
1 60 . 17 1 1 A 15 15 THR CA C 15 60.623 60.362 0.261 1
1 61 . 17 1 1 A 15 15 THR CB C 15 70.645 71.516 -0.871 1
1 63 . 17 1 1 A 15 15 THR N N 15 113.201 113.946 -0.745 1
1 64 . 17 1 1 A 16 16 ASP H H 16 9.018 8.980 0.038 1
1 65 . 17 1 1 A 16 16 ASP HA H 16 4.371 4.268 0.103 1
1 68 . 17 1 1 A 16 16 ASP C C 16 178.806 178.472 0.334 1
1 69 . 17 1 1 A 16 16 ASP CA C 16 58.163 58.084 0.079 1
1 70 . 17 1 1 A 16 16 ASP CB C 16 39.689 40.242 -0.553 1
1 71 . 17 1 1 A 16 16 ASP N N 16 121.802 121.917 -0.115 1
1 72 . 17 1 1 A 17 17 GLU H H 17 8.785 8.291 0.494 1
1 73 . 17 1 1 A 17 17 GLU HA H 17 4.054 3.984 0.070 1
1 78 . 17 1 1 A 17 17 GLU C C 17 180.044 178.934 1.110 1
1 79 . 17 1 1 A 17 17 GLU CA C 17 59.706 59.672 0.034 1
1 80 . 17 1 1 A 17 17 GLU CB C 17 29.520 29.166 0.354 1
1 82 . 17 1 1 A 17 17 GLU N N 17 119.474 120.104 -0.630 1
1 83 . 17 1 1 A 18 18 GLN H H 18 7.700 7.701 -0.001 1
1 84 . 17 1 1 A 18 18 GLN HA H 18 3.665 3.829 -0.164 1
1 91 . 17 1 1 A 18 18 GLN C C 18 177.009 178.817 -1.808 1
1 92 . 17 1 1 A 18 18 GLN CA C 18 59.354 59.002 0.352 1
1 93 . 17 1 1 A 18 18 GLN CB C 18 27.377 28.041 -0.664 1
1 95 . 17 1 1 A 18 18 GLN N N 18 119.784 119.292 0.492 1
1 97 . 17 1 1 A 19 19 LEU H H 19 8.383 8.573 -0.190 1
1 98 . 17 1 1 A 19 19 LEU HA H 19 3.585 3.666 -0.081 1
1 108 . 17 1 1 A 19 19 LEU C C 19 178.830 178.503 0.327 1
1 109 . 17 1 1 A 19 19 LEU CA C 19 57.908 57.799 0.109 1
1 110 . 17 1 1 A 19 19 LEU CB C 19 41.703 41.166 0.537 1
1 114 . 17 1 1 A 19 19 LEU N N 19 117.889 119.295 -1.406 1
1 115 . 17 1 1 A 20 20 GLU H H 20 8.119 8.702 -0.583 1
1 116 . 17 1 1 A 20 20 GLU HA H 20 3.897 3.933 -0.036 1
1 121 . 17 1 1 A 20 20 GLU C C 20 178.126 178.419 -0.293 1
1 122 . 17 1 1 A 20 20 GLU CA C 20 59.248 59.652 -0.404 1
1 123 . 17 1 1 A 20 20 GLU CB C 20 29.697 29.437 0.260 1
1 125 . 17 1 1 A 20 20 GLU N N 20 118.697 120.077 -1.380 1
1 126 . 17 1 1 A 21 21 ALA H H 21 7.309 7.554 -0.245 1
1 127 . 17 1 1 A 21 21 ALA HA H 21 4.057 4.113 -0.056 1
1 131 . 17 1 1 A 21 21 ALA C C 21 180.773 179.969 0.804 1
1 132 . 17 1 1 A 21 21 ALA CA C 21 54.947 55.066 -0.119 1
1 133 . 17 1 1 A 21 21 ALA CB C 21 18.888 18.519 0.369 1
1 134 . 17 1 1 A 21 21 ALA N N 21 120.540 121.088 -0.548 1
1 135 . 17 1 1 A 22 22 LEU H H 22 8.070 7.805 0.265 1
1 136 . 17 1 1 A 22 22 LEU HA H 22 3.428 3.825 -0.397 1
1 146 . 17 1 1 A 22 22 LEU C C 22 177.131 179.225 -2.094 1
1 147 . 17 1 1 A 22 22 LEU CA C 22 58.408 57.788 0.620 1
1 148 . 17 1 1 A 22 22 LEU CB C 22 38.173 40.478 -2.305 1
1 152 . 17 1 1 A 22 22 LEU N N 22 121.563 117.585 3.978 1
1 153 . 17 1 1 A 23 23 GLU H H 23 7.997 8.389 -0.392 1
1 154 . 17 1 1 A 23 23 GLU HA H 23 4.289 4.319 -0.030 1
1 159 . 17 1 1 A 23 23 GLU C C 23 179.510 178.992 0.518 1
1 160 . 17 1 1 A 23 23 GLU CA C 23 58.734 59.605 -0.871 1
1 161 . 17 1 1 A 23 23 GLU CB C 23 28.879 28.882 -0.003 1
1 163 . 17 1 1 A 23 23 GLU N N 23 118.641 117.652 0.989 1
1 164 . 17 1 1 A 24 24 ASN H H 24 8.282 8.116 0.166 1
1 165 . 17 1 1 A 24 24 ASN HA H 24 4.443 4.615 -0.172 1
1 170 . 17 1 1 A 24 24 ASN C C 24 178.563 177.465 1.098 1
1 171 . 17 1 1 A 24 24 ASN CA C 24 56.145 55.661 0.484 1
1 172 . 17 1 1 A 24 24 ASN CB C 24 38.055 38.365 -0.310 1
1 173 . 17 1 1 A 24 24 ASN N N 24 117.495 118.464 -0.969 1
1 175 . 17 1 1 A 25 25 LEU H H 25 7.852 7.990 -0.138 1
1 176 . 17 1 1 A 25 25 LEU HA H 25 4.445 4.302 0.143 1
1 186 . 17 1 1 A 25 25 LEU C C 25 177.276 178.466 -1.190 1
1 187 . 17 1 1 A 25 25 LEU CA C 25 57.963 57.292 0.671 1
1 188 . 17 1 1 A 25 25 LEU CB C 25 40.400 42.728 -2.328 1
1 192 . 17 1 1 A 25 25 LEU N N 25 121.261 121.213 0.048 1
1 193 . 17 1 1 A 26 26 PHE H H 26 8.711 8.672 0.039 1
1 194 . 17 1 1 A 26 26 PHE HA H 26 4.628 4.296 0.332 1
1 202 . 17 1 1 A 26 26 PHE C C 26 176.232 177.636 -1.404 1
1 203 . 17 1 1 A 26 26 PHE CA C 26 61.011 60.654 0.357 1
1 204 . 17 1 1 A 26 26 PHE CB C 26 38.906 38.978 -0.072 1
1 210 . 17 1 1 A 26 26 PHE N N 26 120.816 119.530 1.286 1
1 211 . 17 1 1 A 27 27 GLN H H 27 8.007 7.824 0.183 1
1 212 . 17 1 1 A 27 27 GLN HA H 27 3.665 3.814 -0.149 1
1 219 . 17 1 1 A 27 27 GLN C C 27 177.106 178.467 -1.361 1
1 220 . 17 1 1 A 27 27 GLN CA C 27 57.892 59.249 -1.357 1
1 221 . 17 1 1 A 27 27 GLN CB C 27 28.195 28.699 -0.504 1
1 223 . 17 1 1 A 27 27 GLN N N 27 114.037 118.282 -4.245 1
1 225 . 17 1 1 A 28 28 GLU H H 28 7.467 8.523 -1.056 1
1 226 . 17 1 1 A 28 28 GLU HA H 28 4.190 4.102 0.088 1
1 231 . 17 1 1 A 28 28 GLU C C 28 177.106 176.129 0.977 1
1 232 . 17 1 1 A 28 28 GLU CA C 28 58.138 58.847 -0.709 1
1 233 . 17 1 1 A 28 28 GLU CB C 28 30.756 29.192 1.564 1
1 235 . 17 1 1 A 28 28 GLU N N 28 119.193 117.603 1.590 1
1 236 . 17 1 1 A 29 29 THR H H 29 8.971 7.725 1.246 1
1 237 . 17 1 1 A 29 29 THR HA H 29 4.321 4.667 -0.346 1
1 242 . 17 1 1 A 29 29 THR C C 29 170.526 173.880 -3.354 1
1 243 . 17 1 1 A 29 29 THR CA C 29 59.885 60.102 -0.217 1
1 244 . 17 1 1 A 29 29 THR CB C 29 69.656 70.776 -1.120 1
1 246 . 17 1 1 A 29 29 THR N N 29 116.904 113.414 3.490 1
1 247 . 17 1 1 A 30 30 LYS H H 30 7.942 8.500 -0.558 1
1 248 . 17 1 1 A 30 30 LYS HA H 30 3.765 3.919 -0.154 1
1 257 . 17 1 1 A 30 30 LYS C C 30 175.844 176.218 -0.374 1
1 258 . 17 1 1 A 30 30 LYS CA C 30 56.583 57.982 -1.399 1
1 259 . 17 1 1 A 30 30 LYS CB C 30 32.421 32.485 -0.064 1
1 263 . 17 1 1 A 30 30 LYS N N 30 123.132 126.043 -2.911 1
1 264 . 17 1 1 A 31 31 TYR H H 31 7.788 7.367 0.421 1
1 265 . 17 1 1 A 31 31 TYR HA H 31 4.608 5.134 -0.526 1
1 272 . 17 1 1 A 31 31 TYR C C 31 172.687 173.270 -0.583 1
1 273 . 17 1 1 A 31 31 TYR CA C 31 54.864 54.705 0.159 1
1 274 . 17 1 1 A 31 31 TYR CB C 31 38.777 39.192 -0.415 1
1 279 . 17 1 1 A 31 31 TYR N N 31 113.626 116.918 -3.292 1
1 280 . 17 1 1 A 32 32 PRO HA H 32 4.399 4.651 -0.252 1
1 287 . 17 1 1 A 32 32 PRO C C 32 177.203 175.380 1.823 1
1 288 . 17 1 1 A 32 32 PRO CA C 32 62.668 62.639 0.029 1
1 289 . 17 1 1 A 32 32 PRO CB C 32 31.394 32.659 -1.265 1
1 292 . 17 1 1 A 33 33 ASP H H 33 8.548 8.540 0.008 1
1 293 . 17 1 1 A 33 33 ASP HA H 33 4.473 5.071 -0.598 1
1 296 . 17 1 1 A 33 33 ASP C C 33 175.989 177.300 -1.311 1
1 297 . 17 1 1 A 33 33 ASP CA C 33 52.775 52.654 0.121 1
1 298 . 17 1 1 A 33 33 ASP CB C 33 41.295 43.282 -1.987 1
1 299 . 17 1 1 A 33 33 ASP N N 33 123.152 120.698 2.454 1
1 300 . 17 1 1 A 34 34 VAL H H 34 8.493 8.531 -0.038 1
1 301 . 17 1 1 A 34 34 VAL HA H 34 3.522 3.745 -0.223 1
1 309 . 17 1 1 A 34 34 VAL C C 34 177.203 177.954 -0.751 1
1 310 . 17 1 1 A 34 34 VAL CA C 34 66.618 65.749 0.869 1
1 311 . 17 1 1 A 34 34 VAL CB C 34 31.697 31.649 0.048 1
1 314 . 17 1 1 A 34 34 VAL N N 34 119.474 124.988 -5.514 1
1 315 . 17 1 1 A 35 35 GLY H H 35 8.389 8.294 0.095 1
1 316 . 17 1 1 A 35 35 GLY HA2 H 35 3.901 3.764 0.137 1
1 317 . 17 1 1 A 35 35 GLY HA3 H 35 3.901 3.767 0.134 1
1 318 . 17 1 1 A 35 35 GLY C C 35 176.985 176.520 0.465 1
1 319 . 17 1 1 A 35 35 GLY CA C 35 46.976 47.395 -0.419 1
1 320 . 17 1 1 A 35 35 GLY N N 35 109.478 108.865 0.613 1
1 321 . 17 1 1 A 36 36 THR H H 36 8.142 7.825 0.317 1
1 322 . 17 1 1 A 36 36 THR HA H 36 3.918 4.036 -0.118 1
1 327 . 17 1 1 A 36 36 THR C C 36 177.616 176.632 0.984 1
1 328 . 17 1 1 A 36 36 THR CA C 36 66.957 66.083 0.874 1
1 329 . 17 1 1 A 36 36 THR CB C 36 67.887 68.219 -0.332 1
1 331 . 17 1 1 A 36 36 THR N N 36 121.210 117.078 4.132 1
1 332 . 17 1 1 A 37 37 ARG H H 37 8.396 8.320 0.076 1
1 333 . 17 1 1 A 37 37 ARG HA H 37 3.712 3.857 -0.145 1
1 341 . 17 1 1 A 37 37 ARG C C 37 177.980 179.022 -1.042 1
1 342 . 17 1 1 A 37 37 ARG CA C 37 61.187 59.703 1.484 1
1 343 . 17 1 1 A 37 37 ARG CB C 37 31.250 30.035 1.215 1
1 346 . 17 1 1 A 37 37 ARG N N 37 121.196 120.311 0.885 1
1 348 . 17 1 1 A 38 38 GLU H H 38 8.843 8.626 0.217 1
1 349 . 17 1 1 A 38 38 GLU HA H 38 3.905 3.948 -0.043 1
1 354 . 17 1 1 A 38 38 GLU C C 38 178.636 179.183 -0.547 1
1 355 . 17 1 1 A 38 38 GLU CA C 38 59.797 59.473 0.324 1
1 356 . 17 1 1 A 38 38 GLU CB C 38 29.529 29.190 0.339 1
1 358 . 17 1 1 A 38 38 GLU N N 38 119.875 119.666 0.209 1
1 359 . 17 1 1 A 39 39 GLN H H 39 7.939 7.583 0.356 1
1 360 . 17 1 1 A 39 39 GLN HA H 39 3.977 3.949 0.028 1
1 367 . 17 1 1 A 39 39 GLN C C 39 178.782 177.710 1.072 1
1 368 . 17 1 1 A 39 39 GLN CA C 39 59.078 58.978 0.100 1
1 369 . 17 1 1 A 39 39 GLN CB C 39 28.426 28.330 0.096 1
1 371 . 17 1 1 A 39 39 GLN N N 39 118.456 118.561 -0.105 1
1 373 . 17 1 1 A 40 40 LEU H H 40 7.515 8.481 -0.966 1
1 374 . 17 1 1 A 40 40 LEU HA H 40 4.129 3.980 0.149 1
1 384 . 17 1 1 A 40 40 LEU C C 40 178.150 178.381 -0.231 1
1 385 . 17 1 1 A 40 40 LEU CA C 40 58.273 57.926 0.347 1
1 386 . 17 1 1 A 40 40 LEU CB C 40 41.194 41.696 -0.502 1
1 390 . 17 1 1 A 40 40 LEU N N 40 121.414 122.012 -0.598 1
1 391 . 17 1 1 A 41 41 ALA H H 41 8.577 8.621 -0.044 1
1 392 . 17 1 1 A 41 41 ALA HA H 41 3.650 4.020 -0.370 1
1 396 . 17 1 1 A 41 41 ALA C C 41 179.559 179.482 0.077 1
1 397 . 17 1 1 A 41 41 ALA CA C 41 55.925 55.475 0.450 1
1 398 . 17 1 1 A 41 41 ALA CB C 41 17.487 18.422 -0.935 1
1 399 . 17 1 1 A 41 41 ALA N N 41 121.362 120.943 0.419 1
1 400 . 17 1 1 A 42 42 ARG H H 42 7.986 7.788 0.198 1
1 401 . 17 1 1 A 42 42 ARG HA H 42 4.083 3.960 0.123 1
1 408 . 17 1 1 A 42 42 ARG C C 42 179.000 178.359 0.641 1
1 409 . 17 1 1 A 42 42 ARG CA C 42 58.578 58.876 -0.298 1
1 410 . 17 1 1 A 42 42 ARG CB C 42 30.495 29.976 0.519 1
1 413 . 17 1 1 A 42 42 ARG N N 42 114.579 117.329 -2.750 1
1 414 . 17 1 1 A 43 43 LYS H H 43 7.706 8.131 -0.425 1
1 415 . 17 1 1 A 43 43 LYS HA H 43 4.023 3.985 0.038 1
1 424 . 17 1 1 A 43 43 LYS C C 43 178.248 178.568 -0.320 1
1 425 . 17 1 1 A 43 43 LYS CA C 43 59.177 58.958 0.219 1
1 426 . 17 1 1 A 43 43 LYS CB C 43 33.134 32.461 0.673 1
1 430 . 17 1 1 A 43 43 LYS N N 43 119.896 119.477 0.419 1
1 431 . 17 1 1 A 44 44 VAL H H 44 7.681 7.641 0.040 1
1 432 . 17 1 1 A 44 44 VAL HA H 44 4.522 4.285 0.237 1
1 440 . 17 1 1 A 44 44 VAL C C 44 174.654 175.231 -0.577 1
1 441 . 17 1 1 A 44 44 VAL CA C 44 59.912 61.810 -1.898 1
1 442 . 17 1 1 A 44 44 VAL CB C 44 30.979 31.650 -0.671 1
1 445 . 17 1 1 A 44 44 VAL N N 44 105.042 111.088 -6.046 1
1 446 . 17 1 1 A 45 45 HIS H H 45 7.398 7.959 -0.561 1
1 447 . 17 1 1 A 45 45 HIS HA H 45 4.293 4.120 0.173 1
1 451 . 17 1 1 A 45 45 HIS C C 45 174.144 173.917 0.227 1
1 452 . 17 1 1 A 45 45 HIS CA C 45 56.956 56.789 0.167 1
1 453 . 17 1 1 A 45 45 HIS CB C 45 26.353 26.661 -0.308 1
1 455 . 17 1 1 A 45 45 HIS N N 45 117.892 115.903 1.989 1
1 456 . 17 1 1 A 46 46 LEU H H 46 8.571 7.767 0.804 1
1 457 . 17 1 1 A 46 46 LEU HA H 46 4.855 4.913 -0.058 1
1 467 . 17 1 1 A 46 46 LEU C C 46 176.256 175.308 0.948 1
1 468 . 17 1 1 A 46 46 LEU CA C 46 52.689 53.348 -0.659 1
1 469 . 17 1 1 A 46 46 LEU CB C 46 47.746 45.676 2.070 1
1 473 . 17 1 1 A 46 46 LEU N N 46 119.288 118.675 0.613 1
1 474 . 17 1 1 A 47 47 ARG H H 47 7.979 8.737 -0.758 1
1 475 . 17 1 1 A 47 47 ARG HA H 47 4.439 4.453 -0.014 1
1 482 . 17 1 1 A 47 47 ARG C C 47 178.830 177.146 1.684 1
1 483 . 17 1 1 A 47 47 ARG CA C 47 55.871 55.843 0.028 1
1 484 . 17 1 1 A 47 47 ARG CB C 47 30.838 31.111 -0.273 1
1 487 . 17 1 1 A 47 47 ARG N N 47 119.085 120.311 -1.226 1
1 488 . 17 1 1 A 48 48 GLU H H 48 9.642 8.717 0.925 1
1 489 . 17 1 1 A 48 48 GLU HA H 48 3.644 3.932 -0.288 1
1 494 . 17 1 1 A 48 48 GLU C C 48 178.515 178.178 0.337 1
1 495 . 17 1 1 A 48 48 GLU CA C 48 61.612 59.724 1.888 1
1 496 . 17 1 1 A 48 48 GLU CB C 48 28.860 29.387 -0.527 1
1 498 . 17 1 1 A 48 48 GLU N N 48 125.963 123.735 2.228 1
1 499 . 17 1 1 A 49 49 GLU H H 49 9.638 8.357 1.281 1
1 500 . 17 1 1 A 49 49 GLU HA H 49 4.239 4.091 0.148 1
1 505 . 17 1 1 A 49 49 GLU C C 49 178.927 178.937 -0.010 1
1 506 . 17 1 1 A 49 49 GLU CA C 49 59.681 59.387 0.294 1
1 507 . 17 1 1 A 49 49 GLU CB C 49 28.531 29.461 -0.930 1
1 509 . 17 1 1 A 49 49 GLU N N 49 118.929 118.166 0.763 1
1 510 . 17 1 1 A 50 50 LYS H H 50 7.398 7.914 -0.516 1
1 511 . 17 1 1 A 50 50 LYS HA H 50 4.318 4.129 0.189 1
1 520 . 17 1 1 A 50 50 LYS C C 50 179.486 179.174 0.312 1
1 521 . 17 1 1 A 50 50 LYS CA C 50 58.084 59.531 -1.447 1
1 522 . 17 1 1 A 50 50 LYS CB C 50 32.487 32.419 0.068 1
1 526 . 17 1 1 A 50 50 LYS N N 50 117.569 119.979 -2.410 1
1 527 . 17 1 1 A 51 51 VAL H H 51 7.614 7.759 -0.145 1
1 528 . 17 1 1 A 51 51 VAL HA H 51 3.739 3.566 0.173 1
1 536 . 17 1 1 A 51 51 VAL C C 51 177.641 178.040 -0.399 1
1 537 . 17 1 1 A 51 51 VAL CA C 51 66.900 67.055 -0.155 1
1 538 . 17 1 1 A 51 51 VAL CB C 51 31.876 31.388 0.488 1
1 541 . 17 1 1 A 51 51 VAL N N 51 120.291 120.280 0.011 1
1 542 . 17 1 1 A 52 52 GLU H H 52 8.274 7.636 0.638 1
1 543 . 17 1 1 A 52 52 GLU HA H 52 4.198 3.886 0.312 1
1 547 . 17 1 1 A 52 52 GLU C C 52 179.073 178.541 0.532 1
1 548 . 17 1 1 A 52 52 GLU CA C 52 60.434 59.267 1.167 1
1 549 . 17 1 1 A 52 52 GLU CB C 52 29.073 29.588 -0.515 1
1 551 . 17 1 1 A 52 52 GLU N N 52 120.105 120.496 -0.391 1
1 552 . 17 1 1 A 53 53 VAL H H 53 7.936 7.753 0.183 1
1 553 . 17 1 1 A 53 53 VAL HA H 53 3.692 3.709 -0.017 1
1 561 . 17 1 1 A 53 53 VAL C C 53 177.592 178.200 -0.608 1
1 562 . 17 1 1 A 53 53 VAL CA C 53 66.935 66.730 0.205 1
1 563 . 17 1 1 A 53 53 VAL CB C 53 32.273 31.685 0.588 1
1 566 . 17 1 1 A 53 53 VAL N N 53 119.238 119.574 -0.336 1
1 567 . 17 1 1 A 54 54 TRP H H 54 8.321 8.198 0.123 1
1 568 . 17 1 1 A 54 54 TRP HA H 54 4.083 4.199 -0.116 1
1 577 . 17 1 1 A 54 54 TRP C C 54 179.802 178.232 1.570 1
1 578 . 17 1 1 A 54 54 TRP CA C 54 63.129 61.142 1.987 1
1 579 . 17 1 1 A 54 54 TRP CB C 54 28.635 29.737 -1.102 1
1 585 . 17 1 1 A 54 54 TRP N N 54 121.382 121.309 0.073 1
1 587 . 17 1 1 A 55 55 PHE H H 55 8.834 8.167 0.667 1
1 588 . 17 1 1 A 55 55 PHE HA H 55 3.676 3.697 -0.021 1
1 596 . 17 1 1 A 55 55 PHE C C 55 178.150 177.984 0.166 1
1 597 . 17 1 1 A 55 55 PHE CA C 55 64.096 61.469 2.627 1
1 598 . 17 1 1 A 55 55 PHE CB C 55 39.358 38.907 0.451 1
1 604 . 17 1 1 A 55 55 PHE N N 55 118.755 117.907 0.848 1
1 605 . 17 1 1 A 56 56 LYS H H 56 8.241 8.356 -0.115 1
1 606 . 17 1 1 A 56 56 LYS HA H 56 3.977 3.895 0.082 1
1 612 . 17 1 1 A 56 56 LYS C C 56 180.166 179.374 0.792 1
1 613 . 17 1 1 A 56 56 LYS CA C 56 60.744 59.928 0.816 1
1 614 . 17 1 1 A 56 56 LYS CB C 56 32.322 32.298 0.024 1
1 618 . 17 1 1 A 56 56 LYS N N 56 120.065 117.922 2.143 1
1 619 . 17 1 1 A 57 57 ASN H H 57 8.084 7.938 0.146 1
1 620 . 17 1 1 A 57 57 ASN HA H 57 4.367 4.358 0.009 1
1 625 . 17 1 1 A 57 57 ASN C C 57 177.422 177.237 0.185 1
1 626 . 17 1 1 A 57 57 ASN CA C 57 55.660 56.323 -0.663 1
1 627 . 17 1 1 A 57 57 ASN CB C 57 38.008 38.137 -0.129 1
1 628 . 17 1 1 A 57 57 ASN N N 57 118.967 118.164 0.803 1
1 630 . 17 1 1 A 58 58 ARG H H 58 8.575 7.727 0.848 1
1 631 . 17 1 1 A 58 58 ARG HA H 58 3.463 3.603 -0.140 1
1 639 . 17 1 1 A 58 58 ARG C C 58 180.044 177.989 2.055 1
1 640 . 17 1 1 A 58 58 ARG CA C 58 56.568 59.163 -2.595 1
1 641 . 17 1 1 A 58 58 ARG CB C 58 28.155 29.274 -1.119 1
1 644 . 17 1 1 A 58 58 ARG N N 58 124.441 119.632 4.809 1
1 646 . 17 1 1 A 59 59 ARG H H 59 8.490 7.695 0.795 1
1 647 . 17 1 1 A 59 59 ARG HA H 59 4.334 4.109 0.225 1
1 653 . 17 1 1 A 59 59 ARG C C 59 178.223 178.693 -0.470 1
1 654 . 17 1 1 A 59 59 ARG CA C 59 60.699 59.496 1.203 1
1 655 . 17 1 1 A 59 59 ARG CB C 59 31.905 30.014 1.891 1
1 658 . 17 1 1 A 59 59 ARG N N 59 118.847 118.822 0.025 1
1 659 . 17 1 1 A 60 60 ALA H H 60 7.459 8.467 -1.008 1
1 660 . 17 1 1 A 60 60 ALA HA H 60 4.225 4.188 0.037 1
1 664 . 17 1 1 A 60 60 ALA C C 60 179.680 179.450 0.230 1
1 665 . 17 1 1 A 60 60 ALA CA C 60 55.051 55.364 -0.313 1
1 666 . 17 1 1 A 60 60 ALA CB C 60 17.817 18.209 -0.392 1
1 667 . 17 1 1 A 60 60 ALA N N 60 121.387 121.145 0.242 1
1 668 . 17 1 1 A 61 61 LYS H H 61 7.452 7.950 -0.498 1
1 669 . 17 1 1 A 61 61 LYS HA H 61 4.042 4.052 -0.010 1
1 676 . 17 1 1 A 61 61 LYS C C 61 178.078 178.922 -0.844 1
1 677 . 17 1 1 A 61 61 LYS CA C 61 58.472 59.029 -0.557 1
1 678 . 17 1 1 A 61 61 LYS CB C 61 32.734 31.991 0.743 1
1 682 . 17 1 1 A 61 61 LYS N N 61 118.087 118.367 -0.280 1
1 683 . 17 1 1 A 62 62 TRP H H 62 8.008 8.501 -0.493 1
1 684 . 17 1 1 A 62 62 TRP HA H 62 4.632 4.251 0.381 1
1 693 . 17 1 1 A 62 62 TRP C C 62 177.471 178.364 -0.893 1
1 694 . 17 1 1 A 62 62 TRP CA C 62 59.120 60.847 -1.727 1
1 695 . 17 1 1 A 62 62 TRP CB C 62 29.366 30.032 -0.666 1
1 701 . 17 1 1 A 62 62 TRP N N 62 121.749 121.908 -0.159 1
1 703 . 17 1 1 A 63 63 ARG H H 63 8.286 7.853 0.433 1
1 704 . 17 1 1 A 63 63 ARG HA H 63 3.736 3.519 0.217 1
1 711 . 17 1 1 A 63 63 ARG C C 63 176.888 178.331 -1.443 1
1 712 . 17 1 1 A 63 63 ARG CA C 63 57.385 58.490 -1.105 1
1 713 . 17 1 1 A 63 63 ARG CB C 63 30.726 30.061 0.665 1
1 716 . 17 1 1 A 63 63 ARG N N 63 119.622 119.832 -0.210 1
1 717 . 17 1 1 A 64 64 ARG H H 64 7.670 8.339 -0.669 1
1 718 . 17 1 1 A 64 64 ARG HA H 64 4.196 4.032 0.164 1
1 723 . 17 1 1 A 64 64 ARG C C 64 176.645 178.341 -1.696 1
1 724 . 17 1 1 A 64 64 ARG CA C 64 56.956 59.414 -2.458 1
1 725 . 17 1 1 A 64 64 ARG CB C 64 30.369 30.072 0.297 1
1 728 . 17 1 1 A 64 64 ARG N N 64 119.096 120.391 -1.295 1
1 729 . 17 1 1 A 65 65 SER H H 65 7.962 7.807 0.155 1
1 730 . 17 1 1 A 65 65 SER HA H 65 4.474 4.297 0.177 1
1 733 . 17 1 1 A 65 65 SER C C 65 174.435 174.712 -0.277 1
1 734 . 17 1 1 A 65 65 SER CA C 65 58.837 59.918 -1.081 1
1 735 . 17 1 1 A 65 65 SER CB C 65 63.947 63.958 -0.011 1
1 736 . 17 1 1 A 65 65 SER N N 65 115.352 113.006 2.346 1
1 737 . 17 1 1 A 66 66 GLY H H 66 8.031 7.477 0.554 1
1 738 . 17 1 1 A 66 66 GLY HA2 H 66 4.068 3.869 0.199 1
1 739 . 17 1 1 A 66 66 GLY C C 66 171.813 172.646 -0.833 1
1 740 . 17 1 1 A 66 66 GLY CA C 66 44.800 44.158 0.642 1
1 741 . 17 1 1 A 66 66 GLY N N 66 110.503 106.803 3.700 1
1 742 . 17 1 1 A 67 67 PRO HA H 67 4.456 4.448 0.008 1
1 747 . 17 1 1 A 67 67 PRO CA C 67 63.352 62.271 1.081 1
1 748 . 17 1 1 A 67 67 PRO CB C 67 32.167 32.870 -0.703 1
1 751 . 17 1 1 A 68 68 SER HA H 68 4.457 4.142 0.315 1
1 754 . 17 1 1 A 68 68 SER C C 68 174.654 175.075 -0.421 1
1 755 . 17 1 1 A 68 68 SER CA C 68 58.612 61.181 -2.569 1
1 756 . 17 1 1 A 68 68 SER CB C 68 63.845 62.908 0.937 1
1 757 . 17 1 1 A 69 69 SER HA H 69 4.491 4.659 -0.168 1
1 760 . 17 1 1 A 69 69 SER C C 69 173.925 174.751 -0.826 1
1 761 . 17 1 1 A 69 69 SER CA C 69 58.423 58.076 0.347 1
1 762 . 17 1 1 A 69 69 SER CB C 69 63.969 63.223 0.746 1
1 1 . 18 1 1 A 10 10 HIS HA H 10 4.605 5.005 -0.400 1
1 5 . 18 1 1 A 10 10 HIS CA C 10 56.397 54.841 1.556 1
1 6 . 18 1 1 A 10 10 HIS CB C 10 29.857 32.847 -2.990 1
1 8 . 18 1 1 A 12 12 THR HA H 12 4.305 4.733 -0.428 1
1 13 . 18 1 1 A 12 12 THR C C 12 173.925 173.033 0.892 1
1 14 . 18 1 1 A 12 12 THR CA C 12 62.068 61.532 0.536 1
1 15 . 18 1 1 A 12 12 THR CB C 12 69.817 70.927 -1.110 1
1 17 . 18 1 1 A 13 13 ILE H H 13 8.188 8.607 -0.419 1
1 18 . 18 1 1 A 13 13 ILE HA H 13 4.139 4.499 -0.360 1
1 28 . 18 1 1 A 13 13 ILE C C 13 175.795 174.227 1.568 1
1 29 . 18 1 1 A 13 13 ILE CA C 13 61.202 60.060 1.142 1
1 30 . 18 1 1 A 13 13 ILE CB C 13 38.686 42.113 -3.427 1
1 34 . 18 1 1 A 13 13 ILE N N 13 123.673 124.443 -0.770 1
1 35 . 18 1 1 A 14 14 PHE H H 14 8.178 8.625 -0.447 1
1 36 . 18 1 1 A 14 14 PHE HA H 14 4.977 4.908 0.069 1
1 44 . 18 1 1 A 14 14 PHE C C 14 176.475 175.959 0.516 1
1 45 . 18 1 1 A 14 14 PHE CA C 14 57.025 57.337 -0.312 1
1 46 . 18 1 1 A 14 14 PHE CB C 14 41.482 41.380 0.102 1
1 52 . 18 1 1 A 14 14 PHE N N 14 122.586 125.984 -3.398 1
1 53 . 18 1 1 A 15 15 THR H H 15 8.792 8.828 -0.036 1
1 54 . 18 1 1 A 15 15 THR HA H 15 4.462 4.641 -0.179 1
1 59 . 18 1 1 A 15 15 THR C C 15 175.261 175.679 -0.418 1
1 60 . 18 1 1 A 15 15 THR CA C 15 60.623 60.713 -0.090 1
1 61 . 18 1 1 A 15 15 THR CB C 15 70.645 71.051 -0.406 1
1 63 . 18 1 1 A 15 15 THR N N 15 113.201 114.179 -0.978 1
1 64 . 18 1 1 A 16 16 ASP H H 16 9.018 8.969 0.049 1
1 65 . 18 1 1 A 16 16 ASP HA H 16 4.371 4.268 0.103 1
1 68 . 18 1 1 A 16 16 ASP C C 16 178.806 178.414 0.392 1
1 69 . 18 1 1 A 16 16 ASP CA C 16 58.163 58.149 0.014 1
1 70 . 18 1 1 A 16 16 ASP CB C 16 39.689 40.285 -0.596 1
1 71 . 18 1 1 A 16 16 ASP N N 16 121.802 121.979 -0.177 1
1 72 . 18 1 1 A 17 17 GLU H H 17 8.785 8.257 0.528 1
1 73 . 18 1 1 A 17 17 GLU HA H 17 4.054 3.923 0.131 1
1 78 . 18 1 1 A 17 17 GLU C C 17 180.044 178.903 1.141 1
1 79 . 18 1 1 A 17 17 GLU CA C 17 59.706 59.750 -0.044 1
1 80 . 18 1 1 A 17 17 GLU CB C 17 29.520 28.904 0.616 1
1 82 . 18 1 1 A 17 17 GLU N N 17 119.474 120.438 -0.964 1
1 83 . 18 1 1 A 18 18 GLN H H 18 7.700 7.660 0.040 1
1 84 . 18 1 1 A 18 18 GLN HA H 18 3.665 3.676 -0.011 1
1 91 . 18 1 1 A 18 18 GLN C C 18 177.009 178.782 -1.773 1
1 92 . 18 1 1 A 18 18 GLN CA C 18 59.354 59.125 0.229 1
1 93 . 18 1 1 A 18 18 GLN CB C 18 27.377 27.967 -0.590 1
1 95 . 18 1 1 A 18 18 GLN N N 18 119.784 118.512 1.272 1
1 97 . 18 1 1 A 19 19 LEU H H 19 8.383 8.267 0.116 1
1 98 . 18 1 1 A 19 19 LEU HA H 19 3.585 3.571 0.014 1
1 108 . 18 1 1 A 19 19 LEU C C 19 178.830 178.602 0.228 1
1 109 . 18 1 1 A 19 19 LEU CA C 19 57.908 57.862 0.046 1
1 110 . 18 1 1 A 19 19 LEU CB C 19 41.703 41.275 0.428 1
1 114 . 18 1 1 A 19 19 LEU N N 19 117.889 119.743 -1.854 1
1 115 . 18 1 1 A 20 20 GLU H H 20 8.119 8.864 -0.745 1
1 116 . 18 1 1 A 20 20 GLU HA H 20 3.897 3.861 0.036 1
1 121 . 18 1 1 A 20 20 GLU C C 20 178.126 178.385 -0.259 1
1 122 . 18 1 1 A 20 20 GLU CA C 20 59.248 59.682 -0.434 1
1 123 . 18 1 1 A 20 20 GLU CB C 20 29.697 29.371 0.326 1
1 125 . 18 1 1 A 20 20 GLU N N 20 118.697 120.395 -1.698 1
1 126 . 18 1 1 A 21 21 ALA H H 21 7.309 7.817 -0.508 1
1 127 . 18 1 1 A 21 21 ALA HA H 21 4.057 4.004 0.053 1
1 131 . 18 1 1 A 21 21 ALA C C 21 180.773 179.895 0.878 1
1 132 . 18 1 1 A 21 21 ALA CA C 21 54.947 55.142 -0.195 1
1 133 . 18 1 1 A 21 21 ALA CB C 21 18.888 18.546 0.342 1
1 134 . 18 1 1 A 21 21 ALA N N 21 120.540 122.225 -1.685 1
1 135 . 18 1 1 A 22 22 LEU H H 22 8.070 8.264 -0.194 1
1 136 . 18 1 1 A 22 22 LEU HA H 22 3.428 3.810 -0.382 1
1 146 . 18 1 1 A 22 22 LEU C C 22 177.131 179.022 -1.891 1
1 147 . 18 1 1 A 22 22 LEU CA C 22 58.408 57.975 0.433 1
1 148 . 18 1 1 A 22 22 LEU CB C 22 38.173 41.026 -2.853 1
1 152 . 18 1 1 A 22 22 LEU N N 22 121.563 118.139 3.424 1
1 153 . 18 1 1 A 23 23 GLU H H 23 7.997 8.091 -0.094 1
1 154 . 18 1 1 A 23 23 GLU HA H 23 4.289 3.986 0.303 1
1 159 . 18 1 1 A 23 23 GLU C C 23 179.510 179.583 -0.073 1
1 160 . 18 1 1 A 23 23 GLU CA C 23 58.734 59.954 -1.220 1
1 161 . 18 1 1 A 23 23 GLU CB C 23 28.879 29.434 -0.555 1
1 163 . 18 1 1 A 23 23 GLU N N 23 118.641 117.384 1.257 1
1 164 . 18 1 1 A 24 24 ASN H H 24 8.282 8.190 0.092 1
1 165 . 18 1 1 A 24 24 ASN HA H 24 4.443 4.501 -0.058 1
1 170 . 18 1 1 A 24 24 ASN C C 24 178.563 178.146 0.417 1
1 171 . 18 1 1 A 24 24 ASN CA C 24 56.145 56.447 -0.302 1
1 172 . 18 1 1 A 24 24 ASN CB C 24 38.055 38.722 -0.667 1
1 173 . 18 1 1 A 24 24 ASN N N 24 117.495 118.038 -0.543 1
1 175 . 18 1 1 A 25 25 LEU H H 25 7.852 7.697 0.155 1
1 176 . 18 1 1 A 25 25 LEU HA H 25 4.445 4.214 0.231 1
1 186 . 18 1 1 A 25 25 LEU C C 25 177.276 178.392 -1.116 1
1 187 . 18 1 1 A 25 25 LEU CA C 25 57.963 57.878 0.085 1
1 188 . 18 1 1 A 25 25 LEU CB C 25 40.400 41.868 -1.468 1
1 192 . 18 1 1 A 25 25 LEU N N 25 121.261 120.851 0.410 1
1 193 . 18 1 1 A 26 26 PHE H H 26 8.711 8.862 -0.151 1
1 194 . 18 1 1 A 26 26 PHE HA H 26 4.628 4.396 0.232 1
1 202 . 18 1 1 A 26 26 PHE C C 26 176.232 177.497 -1.265 1
1 203 . 18 1 1 A 26 26 PHE CA C 26 61.011 61.561 -0.550 1
1 204 . 18 1 1 A 26 26 PHE CB C 26 38.906 39.062 -0.156 1
1 210 . 18 1 1 A 26 26 PHE N N 26 120.816 119.596 1.220 1
1 211 . 18 1 1 A 27 27 GLN H H 27 8.007 8.694 -0.687 1
1 212 . 18 1 1 A 27 27 GLN HA H 27 3.665 3.970 -0.305 1
1 219 . 18 1 1 A 27 27 GLN C C 27 177.106 178.556 -1.450 1
1 220 . 18 1 1 A 27 27 GLN CA C 27 57.892 59.454 -1.562 1
1 221 . 18 1 1 A 27 27 GLN CB C 27 28.195 28.456 -0.261 1
1 223 . 18 1 1 A 27 27 GLN N N 27 114.037 118.447 -4.410 1
1 225 . 18 1 1 A 28 28 GLU H H 28 7.467 8.307 -0.840 1
1 226 . 18 1 1 A 28 28 GLU HA H 28 4.190 4.169 0.021 1
1 231 . 18 1 1 A 28 28 GLU C C 28 177.106 176.139 0.967 1
1 232 . 18 1 1 A 28 28 GLU CA C 28 58.138 59.062 -0.924 1
1 233 . 18 1 1 A 28 28 GLU CB C 28 30.756 28.980 1.776 1
1 235 . 18 1 1 A 28 28 GLU N N 28 119.193 117.514 1.679 1
1 236 . 18 1 1 A 29 29 THR H H 29 8.971 8.135 0.836 1
1 237 . 18 1 1 A 29 29 THR HA H 29 4.321 4.632 -0.311 1
1 242 . 18 1 1 A 29 29 THR C C 29 170.526 174.068 -3.542 1
1 243 . 18 1 1 A 29 29 THR CA C 29 59.885 60.301 -0.416 1
1 244 . 18 1 1 A 29 29 THR CB C 29 69.656 71.089 -1.433 1
1 246 . 18 1 1 A 29 29 THR N N 29 116.904 113.460 3.444 1
1 247 . 18 1 1 A 30 30 LYS H H 30 7.942 8.351 -0.409 1
1 248 . 18 1 1 A 30 30 LYS HA H 30 3.765 3.359 0.406 1
1 257 . 18 1 1 A 30 30 LYS C C 30 175.844 176.153 -0.309 1
1 258 . 18 1 1 A 30 30 LYS CA C 30 56.583 58.305 -1.722 1
1 259 . 18 1 1 A 30 30 LYS CB C 30 32.421 32.699 -0.278 1
1 263 . 18 1 1 A 30 30 LYS N N 30 123.132 126.772 -3.640 1
1 264 . 18 1 1 A 31 31 TYR H H 31 7.788 7.970 -0.182 1
1 265 . 18 1 1 A 31 31 TYR HA H 31 4.608 5.050 -0.442 1
1 272 . 18 1 1 A 31 31 TYR C C 31 172.687 173.376 -0.689 1
1 273 . 18 1 1 A 31 31 TYR CA C 31 54.864 54.455 0.409 1
1 274 . 18 1 1 A 31 31 TYR CB C 31 38.777 38.817 -0.040 1
1 279 . 18 1 1 A 31 31 TYR N N 31 113.626 116.960 -3.334 1
1 280 . 18 1 1 A 32 32 PRO HA H 32 4.399 4.581 -0.182 1
1 287 . 18 1 1 A 32 32 PRO C C 32 177.203 175.179 2.024 1
1 288 . 18 1 1 A 32 32 PRO CA C 32 62.668 62.273 0.395 1
1 289 . 18 1 1 A 32 32 PRO CB C 32 31.394 32.719 -1.325 1
1 292 . 18 1 1 A 33 33 ASP H H 33 8.548 8.376 0.172 1
1 293 . 18 1 1 A 33 33 ASP HA H 33 4.473 5.077 -0.604 1
1 296 . 18 1 1 A 33 33 ASP C C 33 175.989 177.417 -1.428 1
1 297 . 18 1 1 A 33 33 ASP CA C 33 52.775 52.502 0.273 1
1 298 . 18 1 1 A 33 33 ASP CB C 33 41.295 43.481 -2.186 1
1 299 . 18 1 1 A 33 33 ASP N N 33 123.152 120.219 2.933 1
1 300 . 18 1 1 A 34 34 VAL H H 34 8.493 8.603 -0.110 1
1 301 . 18 1 1 A 34 34 VAL HA H 34 3.522 3.769 -0.247 1
1 309 . 18 1 1 A 34 34 VAL C C 34 177.203 178.114 -0.911 1
1 310 . 18 1 1 A 34 34 VAL CA C 34 66.618 65.755 0.863 1
1 311 . 18 1 1 A 34 34 VAL CB C 34 31.697 31.610 0.087 1
1 314 . 18 1 1 A 34 34 VAL N N 34 119.474 124.597 -5.123 1
1 315 . 18 1 1 A 35 35 GLY H H 35 8.389 8.070 0.319 1
1 316 . 18 1 1 A 35 35 GLY HA2 H 35 3.901 3.796 0.105 1
1 317 . 18 1 1 A 35 35 GLY HA3 H 35 3.901 3.798 0.103 1
1 318 . 18 1 1 A 35 35 GLY C C 35 176.985 176.570 0.415 1
1 319 . 18 1 1 A 35 35 GLY CA C 35 46.976 47.482 -0.506 1
1 320 . 18 1 1 A 35 35 GLY N N 35 109.478 108.818 0.660 1
1 321 . 18 1 1 A 36 36 THR H H 36 8.142 7.921 0.221 1
1 322 . 18 1 1 A 36 36 THR HA H 36 3.918 4.030 -0.112 1
1 327 . 18 1 1 A 36 36 THR C C 36 177.616 176.645 0.971 1
1 328 . 18 1 1 A 36 36 THR CA C 36 66.957 66.070 0.887 1
1 329 . 18 1 1 A 36 36 THR CB C 36 67.887 68.591 -0.704 1
1 331 . 18 1 1 A 36 36 THR N N 36 121.210 117.684 3.526 1
1 332 . 18 1 1 A 37 37 ARG H H 37 8.396 8.455 -0.059 1
1 333 . 18 1 1 A 37 37 ARG HA H 37 3.712 3.899 -0.187 1
1 341 . 18 1 1 A 37 37 ARG C C 37 177.980 179.070 -1.090 1
1 342 . 18 1 1 A 37 37 ARG CA C 37 61.187 59.806 1.381 1
1 343 . 18 1 1 A 37 37 ARG CB C 37 31.250 30.185 1.065 1
1 346 . 18 1 1 A 37 37 ARG N N 37 121.196 120.082 1.114 1
1 348 . 18 1 1 A 38 38 GLU H H 38 8.843 8.592 0.251 1
1 349 . 18 1 1 A 38 38 GLU HA H 38 3.905 3.983 -0.078 1
1 354 . 18 1 1 A 38 38 GLU C C 38 178.636 179.088 -0.452 1
1 355 . 18 1 1 A 38 38 GLU CA C 38 59.797 59.148 0.649 1
1 356 . 18 1 1 A 38 38 GLU CB C 38 29.529 29.119 0.410 1
1 358 . 18 1 1 A 38 38 GLU N N 38 119.875 119.546 0.329 1
1 359 . 18 1 1 A 39 39 GLN H H 39 7.939 7.534 0.405 1
1 360 . 18 1 1 A 39 39 GLN HA H 39 3.977 3.940 0.037 1
1 367 . 18 1 1 A 39 39 GLN C C 39 178.782 178.044 0.738 1
1 368 . 18 1 1 A 39 39 GLN CA C 39 59.078 59.014 0.064 1
1 369 . 18 1 1 A 39 39 GLN CB C 39 28.426 28.408 0.018 1
1 371 . 18 1 1 A 39 39 GLN N N 39 118.456 118.802 -0.346 1
1 373 . 18 1 1 A 40 40 LEU H H 40 7.515 8.493 -0.978 1
1 374 . 18 1 1 A 40 40 LEU HA H 40 4.129 4.002 0.127 1
1 384 . 18 1 1 A 40 40 LEU C C 40 178.150 178.297 -0.147 1
1 385 . 18 1 1 A 40 40 LEU CA C 40 58.273 58.403 -0.130 1
1 386 . 18 1 1 A 40 40 LEU CB C 40 41.194 41.590 -0.396 1
1 390 . 18 1 1 A 40 40 LEU N N 40 121.414 122.212 -0.798 1
1 391 . 18 1 1 A 41 41 ALA H H 41 8.577 8.576 0.001 1
1 392 . 18 1 1 A 41 41 ALA HA H 41 3.650 4.014 -0.364 1
1 396 . 18 1 1 A 41 41 ALA C C 41 179.559 180.368 -0.809 1
1 397 . 18 1 1 A 41 41 ALA CA C 41 55.925 55.532 0.393 1
1 398 . 18 1 1 A 41 41 ALA CB C 41 17.487 18.616 -1.129 1
1 399 . 18 1 1 A 41 41 ALA N N 41 121.362 120.681 0.681 1
1 400 . 18 1 1 A 42 42 ARG H H 42 7.986 7.793 0.193 1
1 401 . 18 1 1 A 42 42 ARG HA H 42 4.083 4.014 0.069 1
1 408 . 18 1 1 A 42 42 ARG C C 42 179.000 178.768 0.232 1
1 409 . 18 1 1 A 42 42 ARG CA C 42 58.578 59.711 -1.133 1
1 410 . 18 1 1 A 42 42 ARG CB C 42 30.495 29.982 0.513 1
1 413 . 18 1 1 A 42 42 ARG N N 42 114.579 117.636 -3.057 1
1 414 . 18 1 1 A 43 43 LYS H H 43 7.706 8.071 -0.365 1
1 415 . 18 1 1 A 43 43 LYS HA H 43 4.023 4.140 -0.117 1
1 424 . 18 1 1 A 43 43 LYS C C 43 178.248 178.545 -0.297 1
1 425 . 18 1 1 A 43 43 LYS CA C 43 59.177 58.987 0.190 1
1 426 . 18 1 1 A 43 43 LYS CB C 43 33.134 32.331 0.803 1
1 430 . 18 1 1 A 43 43 LYS N N 43 119.896 120.657 -0.761 1
1 431 . 18 1 1 A 44 44 VAL H H 44 7.681 7.817 -0.136 1
1 432 . 18 1 1 A 44 44 VAL HA H 44 4.522 4.341 0.181 1
1 440 . 18 1 1 A 44 44 VAL C C 44 174.654 174.808 -0.154 1
1 441 . 18 1 1 A 44 44 VAL CA C 44 59.912 61.159 -1.247 1
1 442 . 18 1 1 A 44 44 VAL CB C 44 30.979 31.459 -0.480 1
1 445 . 18 1 1 A 44 44 VAL N N 44 105.042 110.469 -5.427 1
1 446 . 18 1 1 A 45 45 HIS H H 45 7.398 7.834 -0.436 1
1 447 . 18 1 1 A 45 45 HIS HA H 45 4.293 4.183 0.110 1
1 451 . 18 1 1 A 45 45 HIS C C 45 174.144 173.919 0.225 1
1 452 . 18 1 1 A 45 45 HIS CA C 45 56.956 56.607 0.349 1
1 453 . 18 1 1 A 45 45 HIS CB C 45 26.353 26.604 -0.251 1
1 455 . 18 1 1 A 45 45 HIS N N 45 117.892 116.178 1.714 1
1 456 . 18 1 1 A 46 46 LEU H H 46 8.571 7.981 0.590 1
1 457 . 18 1 1 A 46 46 LEU HA H 46 4.855 4.882 -0.027 1
1 467 . 18 1 1 A 46 46 LEU C C 46 176.256 175.365 0.891 1
1 468 . 18 1 1 A 46 46 LEU CA C 46 52.689 53.589 -0.900 1
1 469 . 18 1 1 A 46 46 LEU CB C 46 47.746 45.913 1.833 1
1 473 . 18 1 1 A 46 46 LEU N N 46 119.288 118.623 0.665 1
1 474 . 18 1 1 A 47 47 ARG H H 47 7.979 8.740 -0.761 1
1 475 . 18 1 1 A 47 47 ARG HA H 47 4.439 4.427 0.012 1
1 482 . 18 1 1 A 47 47 ARG C C 47 178.830 177.391 1.439 1
1 483 . 18 1 1 A 47 47 ARG CA C 47 55.871 55.398 0.473 1
1 484 . 18 1 1 A 47 47 ARG CB C 47 30.838 31.679 -0.841 1
1 487 . 18 1 1 A 47 47 ARG N N 47 119.085 120.511 -1.426 1
1 488 . 18 1 1 A 48 48 GLU H H 48 9.642 9.173 0.469 1
1 489 . 18 1 1 A 48 48 GLU HA H 48 3.644 3.830 -0.186 1
1 494 . 18 1 1 A 48 48 GLU C C 48 178.515 178.155 0.360 1
1 495 . 18 1 1 A 48 48 GLU CA C 48 61.612 60.550 1.062 1
1 496 . 18 1 1 A 48 48 GLU CB C 48 28.860 29.433 -0.573 1
1 498 . 18 1 1 A 48 48 GLU N N 48 125.963 125.082 0.881 1
1 499 . 18 1 1 A 49 49 GLU H H 49 9.638 8.362 1.276 1
1 500 . 18 1 1 A 49 49 GLU HA H 49 4.239 4.096 0.143 1
1 505 . 18 1 1 A 49 49 GLU C C 49 178.927 178.918 0.009 1
1 506 . 18 1 1 A 49 49 GLU CA C 49 59.681 59.447 0.234 1
1 507 . 18 1 1 A 49 49 GLU CB C 49 28.531 29.349 -0.818 1
1 509 . 18 1 1 A 49 49 GLU N N 49 118.929 117.493 1.436 1
1 510 . 18 1 1 A 50 50 LYS H H 50 7.398 7.675 -0.277 1
1 511 . 18 1 1 A 50 50 LYS HA H 50 4.318 4.109 0.209 1
1 520 . 18 1 1 A 50 50 LYS C C 50 179.486 179.063 0.423 1
1 521 . 18 1 1 A 50 50 LYS CA C 50 58.084 59.471 -1.387 1
1 522 . 18 1 1 A 50 50 LYS CB C 50 32.487 32.276 0.211 1
1 526 . 18 1 1 A 50 50 LYS N N 50 117.569 119.906 -2.337 1
1 527 . 18 1 1 A 51 51 VAL H H 51 7.614 7.970 -0.356 1
1 528 . 18 1 1 A 51 51 VAL HA H 51 3.739 3.519 0.220 1
1 536 . 18 1 1 A 51 51 VAL C C 51 177.641 177.983 -0.342 1
1 537 . 18 1 1 A 51 51 VAL CA C 51 66.900 67.107 -0.207 1
1 538 . 18 1 1 A 51 51 VAL CB C 51 31.876 31.394 0.482 1
1 541 . 18 1 1 A 51 51 VAL N N 51 120.291 120.473 -0.182 1
1 542 . 18 1 1 A 52 52 GLU H H 52 8.274 7.880 0.394 1
1 543 . 18 1 1 A 52 52 GLU HA H 52 4.198 3.908 0.290 1
1 547 . 18 1 1 A 52 52 GLU C C 52 179.073 178.581 0.492 1
1 548 . 18 1 1 A 52 52 GLU CA C 52 60.434 59.448 0.986 1
1 549 . 18 1 1 A 52 52 GLU CB C 52 29.073 29.702 -0.629 1
1 551 . 18 1 1 A 52 52 GLU N N 52 120.105 119.955 0.150 1
1 552 . 18 1 1 A 53 53 VAL H H 53 7.936 7.896 0.040 1
1 553 . 18 1 1 A 53 53 VAL HA H 53 3.692 3.712 -0.020 1
1 561 . 18 1 1 A 53 53 VAL C C 53 177.592 178.043 -0.451 1
1 562 . 18 1 1 A 53 53 VAL CA C 53 66.935 66.591 0.344 1
1 563 . 18 1 1 A 53 53 VAL CB C 53 32.273 31.812 0.461 1
1 566 . 18 1 1 A 53 53 VAL N N 53 119.238 119.575 -0.337 1
1 567 . 18 1 1 A 54 54 TRP H H 54 8.321 8.246 0.075 1
1 568 . 18 1 1 A 54 54 TRP HA H 54 4.083 4.367 -0.284 1
1 577 . 18 1 1 A 54 54 TRP C C 54 179.802 178.703 1.099 1
1 578 . 18 1 1 A 54 54 TRP CA C 54 63.129 61.397 1.732 1
1 579 . 18 1 1 A 54 54 TRP CB C 54 28.635 29.431 -0.796 1
1 585 . 18 1 1 A 54 54 TRP N N 54 121.382 121.150 0.232 1
1 587 . 18 1 1 A 55 55 PHE H H 55 8.834 8.428 0.406 1
1 588 . 18 1 1 A 55 55 PHE HA H 55 3.676 4.221 -0.545 1
1 596 . 18 1 1 A 55 55 PHE C C 55 178.150 178.308 -0.158 1
1 597 . 18 1 1 A 55 55 PHE CA C 55 64.096 61.964 2.132 1
1 598 . 18 1 1 A 55 55 PHE CB C 55 39.358 38.742 0.616 1
1 604 . 18 1 1 A 55 55 PHE N N 55 118.755 118.193 0.562 1
1 605 . 18 1 1 A 56 56 LYS H H 56 8.241 8.601 -0.360 1
1 606 . 18 1 1 A 56 56 LYS HA H 56 3.977 3.918 0.059 1
1 612 . 18 1 1 A 56 56 LYS C C 56 180.166 179.443 0.723 1
1 613 . 18 1 1 A 56 56 LYS CA C 56 60.744 59.751 0.993 1
1 614 . 18 1 1 A 56 56 LYS CB C 56 32.322 32.358 -0.036 1
1 618 . 18 1 1 A 56 56 LYS N N 56 120.065 118.298 1.767 1
1 619 . 18 1 1 A 57 57 ASN H H 57 8.084 8.100 -0.016 1
1 620 . 18 1 1 A 57 57 ASN HA H 57 4.367 4.417 -0.050 1
1 625 . 18 1 1 A 57 57 ASN C C 57 177.422 178.050 -0.628 1
1 626 . 18 1 1 A 57 57 ASN CA C 57 55.660 56.396 -0.736 1
1 627 . 18 1 1 A 57 57 ASN CB C 57 38.008 37.862 0.146 1
1 628 . 18 1 1 A 57 57 ASN N N 57 118.967 118.135 0.832 1
1 630 . 18 1 1 A 58 58 ARG H H 58 8.575 7.714 0.861 1
1 631 . 18 1 1 A 58 58 ARG HA H 58 3.463 3.470 -0.007 1
1 639 . 18 1 1 A 58 58 ARG C C 58 180.044 178.922 1.122 1
1 640 . 18 1 1 A 58 58 ARG CA C 58 56.568 59.600 -3.032 1
1 641 . 18 1 1 A 58 58 ARG CB C 58 28.155 29.024 -0.869 1
1 644 . 18 1 1 A 58 58 ARG N N 58 124.441 118.765 5.676 1
1 646 . 18 1 1 A 59 59 ARG H H 59 8.490 8.199 0.291 1
1 647 . 18 1 1 A 59 59 ARG HA H 59 4.334 4.310 0.024 1
1 653 . 18 1 1 A 59 59 ARG C C 59 178.223 178.692 -0.469 1
1 654 . 18 1 1 A 59 59 ARG CA C 59 60.699 59.785 0.914 1
1 655 . 18 1 1 A 59 59 ARG CB C 59 31.905 29.882 2.023 1
1 658 . 18 1 1 A 59 59 ARG N N 59 118.847 119.471 -0.624 1
1 659 . 18 1 1 A 60 60 ALA H H 60 7.459 8.092 -0.633 1
1 660 . 18 1 1 A 60 60 ALA HA H 60 4.225 4.123 0.102 1
1 664 . 18 1 1 A 60 60 ALA C C 60 179.680 179.341 0.339 1
1 665 . 18 1 1 A 60 60 ALA CA C 60 55.051 55.227 -0.176 1
1 666 . 18 1 1 A 60 60 ALA CB C 60 17.817 18.663 -0.846 1
1 667 . 18 1 1 A 60 60 ALA N N 60 121.387 121.641 -0.254 1
1 668 . 18 1 1 A 61 61 LYS H H 61 7.452 7.754 -0.302 1
1 669 . 18 1 1 A 61 61 LYS HA H 61 4.042 4.071 -0.029 1
1 676 . 18 1 1 A 61 61 LYS C C 61 178.078 178.590 -0.512 1
1 677 . 18 1 1 A 61 61 LYS CA C 61 58.472 59.302 -0.830 1
1 678 . 18 1 1 A 61 61 LYS CB C 61 32.734 32.079 0.655 1
1 682 . 18 1 1 A 61 61 LYS N N 61 118.087 118.119 -0.032 1
1 683 . 18 1 1 A 62 62 TRP H H 62 8.008 8.127 -0.119 1
1 684 . 18 1 1 A 62 62 TRP HA H 62 4.632 4.271 0.361 1
1 693 . 18 1 1 A 62 62 TRP C C 62 177.471 177.990 -0.519 1
1 694 . 18 1 1 A 62 62 TRP CA C 62 59.120 60.966 -1.846 1
1 695 . 18 1 1 A 62 62 TRP CB C 62 29.366 30.111 -0.745 1
1 701 . 18 1 1 A 62 62 TRP N N 62 121.749 121.897 -0.148 1
1 703 . 18 1 1 A 63 63 ARG H H 63 8.286 8.391 -0.105 1
1 704 . 18 1 1 A 63 63 ARG HA H 63 3.736 3.238 0.498 1
1 711 . 18 1 1 A 63 63 ARG C C 63 176.888 178.216 -1.328 1
1 712 . 18 1 1 A 63 63 ARG CA C 63 57.385 58.373 -0.988 1
1 713 . 18 1 1 A 63 63 ARG CB C 63 30.726 30.120 0.606 1
1 716 . 18 1 1 A 63 63 ARG N N 63 119.622 118.534 1.088 1
1 717 . 18 1 1 A 64 64 ARG H H 64 7.670 7.980 -0.310 1
1 718 . 18 1 1 A 64 64 ARG HA H 64 4.196 4.081 0.115 1
1 723 . 18 1 1 A 64 64 ARG C C 64 176.645 176.883 -0.238 1
1 724 . 18 1 1 A 64 64 ARG CA C 64 56.956 59.087 -2.131 1
1 725 . 18 1 1 A 64 64 ARG CB C 64 30.369 29.775 0.594 1
1 728 . 18 1 1 A 64 64 ARG N N 64 119.096 120.265 -1.169 1
1 729 . 18 1 1 A 65 65 SER H H 65 7.962 7.609 0.353 1
1 730 . 18 1 1 A 65 65 SER HA H 65 4.474 4.678 -0.204 1
1 733 . 18 1 1 A 65 65 SER C C 65 174.435 173.679 0.756 1
1 734 . 18 1 1 A 65 65 SER CA C 65 58.837 56.763 2.074 1
1 735 . 18 1 1 A 65 65 SER CB C 65 63.947 63.842 0.105 1
1 736 . 18 1 1 A 65 65 SER N N 65 115.352 114.701 0.651 1
1 737 . 18 1 1 A 66 66 GLY H H 66 8.031 8.669 -0.638 1
1 738 . 18 1 1 A 66 66 GLY HA2 H 66 4.068 4.233 -0.165 1
1 739 . 18 1 1 A 66 66 GLY C C 66 171.813 174.052 -2.239 1
1 740 . 18 1 1 A 66 66 GLY CA C 66 44.800 43.720 1.080 1
1 741 . 18 1 1 A 66 66 GLY N N 66 110.503 114.389 -3.886 1
1 742 . 18 1 1 A 67 67 PRO HA H 67 4.456 4.423 0.033 1
1 747 . 18 1 1 A 67 67 PRO CA C 67 63.352 63.881 -0.529 1
1 748 . 18 1 1 A 67 67 PRO CB C 67 32.167 31.930 0.237 1
1 751 . 18 1 1 A 68 68 SER HA H 68 4.457 4.132 0.325 1
1 754 . 18 1 1 A 68 68 SER C C 68 174.654 174.743 -0.089 1
1 755 . 18 1 1 A 68 68 SER CA C 68 58.612 61.602 -2.990 1
1 756 . 18 1 1 A 68 68 SER CB C 68 63.845 63.108 0.737 1
1 757 . 18 1 1 A 69 69 SER HA H 69 4.491 4.321 0.170 1
1 760 . 18 1 1 A 69 69 SER C C 69 173.925 174.581 -0.656 1
1 761 . 18 1 1 A 69 69 SER CA C 69 58.423 59.401 -0.978 1
1 762 . 18 1 1 A 69 69 SER CB C 69 63.969 63.759 0.210 1
1 1 . 19 1 1 A 10 10 HIS HA H 10 4.605 4.872 -0.267 1
1 5 . 19 1 1 A 10 10 HIS CA C 10 56.397 56.156 0.241 1
1 6 . 19 1 1 A 10 10 HIS CB C 10 29.857 31.054 -1.197 1
1 8 . 19 1 1 A 12 12 THR HA H 12 4.305 4.950 -0.645 1
1 13 . 19 1 1 A 12 12 THR C C 12 173.925 173.638 0.287 1
1 14 . 19 1 1 A 12 12 THR CA C 12 62.068 61.497 0.571 1
1 15 . 19 1 1 A 12 12 THR CB C 12 69.817 71.363 -1.546 1
1 17 . 19 1 1 A 13 13 ILE H H 13 8.188 8.676 -0.488 1
1 18 . 19 1 1 A 13 13 ILE HA H 13 4.139 4.656 -0.517 1
1 28 . 19 1 1 A 13 13 ILE C C 13 175.795 175.481 0.314 1
1 29 . 19 1 1 A 13 13 ILE CA C 13 61.202 60.492 0.710 1
1 30 . 19 1 1 A 13 13 ILE CB C 13 38.686 38.859 -0.173 1
1 34 . 19 1 1 A 13 13 ILE N N 13 123.673 125.472 -1.799 1
1 35 . 19 1 1 A 14 14 PHE H H 14 8.178 8.900 -0.722 1
1 36 . 19 1 1 A 14 14 PHE HA H 14 4.977 5.238 -0.261 1
1 44 . 19 1 1 A 14 14 PHE C C 14 176.475 175.919 0.556 1
1 45 . 19 1 1 A 14 14 PHE CA C 14 57.025 56.915 0.110 1
1 46 . 19 1 1 A 14 14 PHE CB C 14 41.482 41.230 0.252 1
1 52 . 19 1 1 A 14 14 PHE N N 14 122.586 126.490 -3.904 1
1 53 . 19 1 1 A 15 15 THR H H 15 8.792 8.908 -0.116 1
1 54 . 19 1 1 A 15 15 THR HA H 15 4.462 4.572 -0.110 1
1 59 . 19 1 1 A 15 15 THR C C 15 175.261 175.666 -0.405 1
1 60 . 19 1 1 A 15 15 THR CA C 15 60.623 60.798 -0.175 1
1 61 . 19 1 1 A 15 15 THR CB C 15 70.645 71.212 -0.567 1
1 63 . 19 1 1 A 15 15 THR N N 15 113.201 114.507 -1.306 1
1 64 . 19 1 1 A 16 16 ASP H H 16 9.018 8.940 0.078 1
1 65 . 19 1 1 A 16 16 ASP HA H 16 4.371 4.303 0.068 1
1 68 . 19 1 1 A 16 16 ASP C C 16 178.806 178.519 0.287 1
1 69 . 19 1 1 A 16 16 ASP CA C 16 58.163 58.160 0.003 1
1 70 . 19 1 1 A 16 16 ASP CB C 16 39.689 40.277 -0.588 1
1 71 . 19 1 1 A 16 16 ASP N N 16 121.802 121.884 -0.082 1
1 72 . 19 1 1 A 17 17 GLU H H 17 8.785 8.296 0.489 1
1 73 . 19 1 1 A 17 17 GLU HA H 17 4.054 4.044 0.010 1
1 78 . 19 1 1 A 17 17 GLU C C 17 180.044 178.910 1.134 1
1 79 . 19 1 1 A 17 17 GLU CA C 17 59.706 59.500 0.206 1
1 80 . 19 1 1 A 17 17 GLU CB C 17 29.520 29.371 0.149 1
1 82 . 19 1 1 A 17 17 GLU N N 17 119.474 117.776 1.698 1
1 83 . 19 1 1 A 18 18 GLN H H 18 7.700 8.111 -0.411 1
1 84 . 19 1 1 A 18 18 GLN HA H 18 3.665 3.764 -0.099 1
1 91 . 19 1 1 A 18 18 GLN C C 18 177.009 178.861 -1.852 1
1 92 . 19 1 1 A 18 18 GLN CA C 18 59.354 59.083 0.271 1
1 93 . 19 1 1 A 18 18 GLN CB C 18 27.377 28.219 -0.842 1
1 95 . 19 1 1 A 18 18 GLN N N 18 119.784 119.791 -0.007 1
1 97 . 19 1 1 A 19 19 LEU H H 19 8.383 8.231 0.152 1
1 98 . 19 1 1 A 19 19 LEU HA H 19 3.585 3.509 0.076 1
1 108 . 19 1 1 A 19 19 LEU C C 19 178.830 178.529 0.301 1
1 109 . 19 1 1 A 19 19 LEU CA C 19 57.908 57.731 0.177 1
1 110 . 19 1 1 A 19 19 LEU CB C 19 41.703 41.048 0.655 1
1 114 . 19 1 1 A 19 19 LEU N N 19 117.889 119.720 -1.831 1
1 115 . 19 1 1 A 20 20 GLU H H 20 8.119 8.718 -0.599 1
1 116 . 19 1 1 A 20 20 GLU HA H 20 3.897 3.850 0.047 1
1 121 . 19 1 1 A 20 20 GLU C C 20 178.126 178.362 -0.236 1
1 122 . 19 1 1 A 20 20 GLU CA C 20 59.248 59.697 -0.449 1
1 123 . 19 1 1 A 20 20 GLU CB C 20 29.697 29.461 0.236 1
1 125 . 19 1 1 A 20 20 GLU N N 20 118.697 119.670 -0.973 1
1 126 . 19 1 1 A 21 21 ALA H H 21 7.309 8.130 -0.821 1
1 127 . 19 1 1 A 21 21 ALA HA H 21 4.057 4.059 -0.002 1
1 131 . 19 1 1 A 21 21 ALA C C 21 180.773 179.911 0.862 1
1 132 . 19 1 1 A 21 21 ALA CA C 21 54.947 55.077 -0.130 1
1 133 . 19 1 1 A 21 21 ALA CB C 21 18.888 18.320 0.568 1
1 134 . 19 1 1 A 21 21 ALA N N 21 120.540 121.682 -1.142 1
1 135 . 19 1 1 A 22 22 LEU H H 22 8.070 8.113 -0.043 1
1 136 . 19 1 1 A 22 22 LEU HA H 22 3.428 3.710 -0.282 1
1 146 . 19 1 1 A 22 22 LEU C C 22 177.131 179.067 -1.936 1
1 147 . 19 1 1 A 22 22 LEU CA C 22 58.408 57.651 0.757 1
1 148 . 19 1 1 A 22 22 LEU CB C 22 38.173 40.289 -2.116 1
1 152 . 19 1 1 A 22 22 LEU N N 22 121.563 117.688 3.875 1
1 153 . 19 1 1 A 23 23 GLU H H 23 7.997 8.138 -0.141 1
1 154 . 19 1 1 A 23 23 GLU HA H 23 4.289 4.040 0.249 1
1 159 . 19 1 1 A 23 23 GLU C C 23 179.510 179.325 0.185 1
1 160 . 19 1 1 A 23 23 GLU CA C 23 58.734 59.760 -1.026 1
1 161 . 19 1 1 A 23 23 GLU CB C 23 28.879 29.333 -0.454 1
1 163 . 19 1 1 A 23 23 GLU N N 23 118.641 117.179 1.462 1
1 164 . 19 1 1 A 24 24 ASN H H 24 8.282 8.490 -0.208 1
1 165 . 19 1 1 A 24 24 ASN HA H 24 4.443 4.551 -0.108 1
1 170 . 19 1 1 A 24 24 ASN C C 24 178.563 178.121 0.442 1
1 171 . 19 1 1 A 24 24 ASN CA C 24 56.145 56.328 -0.183 1
1 172 . 19 1 1 A 24 24 ASN CB C 24 38.055 38.480 -0.425 1
1 173 . 19 1 1 A 24 24 ASN N N 24 117.495 118.101 -0.606 1
1 175 . 19 1 1 A 25 25 LEU H H 25 7.852 7.861 -0.009 1
1 176 . 19 1 1 A 25 25 LEU HA H 25 4.445 4.508 -0.063 1
1 186 . 19 1 1 A 25 25 LEU C C 25 177.276 178.408 -1.132 1
1 187 . 19 1 1 A 25 25 LEU CA C 25 57.963 57.664 0.299 1
1 188 . 19 1 1 A 25 25 LEU CB C 25 40.400 41.910 -1.510 1
1 192 . 19 1 1 A 25 25 LEU N N 25 121.261 120.443 0.818 1
1 193 . 19 1 1 A 26 26 PHE H H 26 8.711 8.843 -0.132 1
1 194 . 19 1 1 A 26 26 PHE HA H 26 4.628 4.523 0.105 1
1 202 . 19 1 1 A 26 26 PHE C C 26 176.232 177.925 -1.693 1
1 203 . 19 1 1 A 26 26 PHE CA C 26 61.011 61.063 -0.052 1
1 204 . 19 1 1 A 26 26 PHE CB C 26 38.906 38.728 0.178 1
1 210 . 19 1 1 A 26 26 PHE N N 26 120.816 119.433 1.383 1
1 211 . 19 1 1 A 27 27 GLN H H 27 8.007 8.520 -0.513 1
1 212 . 19 1 1 A 27 27 GLN HA H 27 3.665 4.023 -0.358 1
1 219 . 19 1 1 A 27 27 GLN C C 27 177.106 178.207 -1.101 1
1 220 . 19 1 1 A 27 27 GLN CA C 27 57.892 59.237 -1.345 1
1 221 . 19 1 1 A 27 27 GLN CB C 27 28.195 28.522 -0.327 1
1 223 . 19 1 1 A 27 27 GLN N N 27 114.037 118.280 -4.243 1
1 225 . 19 1 1 A 28 28 GLU H H 28 7.467 8.186 -0.719 1
1 226 . 19 1 1 A 28 28 GLU HA H 28 4.190 4.180 0.010 1
1 231 . 19 1 1 A 28 28 GLU C C 28 177.106 176.174 0.932 1
1 232 . 19 1 1 A 28 28 GLU CA C 28 58.138 59.154 -1.016 1
1 233 . 19 1 1 A 28 28 GLU CB C 28 30.756 29.201 1.555 1
1 235 . 19 1 1 A 28 28 GLU N N 28 119.193 117.930 1.263 1
1 236 . 19 1 1 A 29 29 THR H H 29 8.971 7.855 1.116 1
1 237 . 19 1 1 A 29 29 THR HA H 29 4.321 4.685 -0.364 1
1 242 . 19 1 1 A 29 29 THR C C 29 170.526 173.732 -3.206 1
1 243 . 19 1 1 A 29 29 THR CA C 29 59.885 60.093 -0.208 1
1 244 . 19 1 1 A 29 29 THR CB C 29 69.656 70.629 -0.973 1
1 246 . 19 1 1 A 29 29 THR N N 29 116.904 113.398 3.506 1
1 247 . 19 1 1 A 30 30 LYS H H 30 7.942 8.555 -0.613 1
1 248 . 19 1 1 A 30 30 LYS HA H 30 3.765 3.652 0.113 1
1 257 . 19 1 1 A 30 30 LYS C C 30 175.844 176.501 -0.657 1
1 258 . 19 1 1 A 30 30 LYS CA C 30 56.583 57.814 -1.231 1
1 259 . 19 1 1 A 30 30 LYS CB C 30 32.421 32.907 -0.486 1
1 263 . 19 1 1 A 30 30 LYS N N 30 123.132 125.928 -2.796 1
1 264 . 19 1 1 A 31 31 TYR H H 31 7.788 7.950 -0.162 1
1 265 . 19 1 1 A 31 31 TYR HA H 31 4.608 5.002 -0.394 1
1 272 . 19 1 1 A 31 31 TYR C C 31 172.687 173.307 -0.620 1
1 273 . 19 1 1 A 31 31 TYR CA C 31 54.864 54.594 0.270 1
1 274 . 19 1 1 A 31 31 TYR CB C 31 38.777 39.102 -0.325 1
1 279 . 19 1 1 A 31 31 TYR N N 31 113.626 116.989 -3.363 1
1 280 . 19 1 1 A 32 32 PRO HA H 32 4.399 4.608 -0.209 1
1 287 . 19 1 1 A 32 32 PRO C C 32 177.203 175.351 1.852 1
1 288 . 19 1 1 A 32 32 PRO CA C 32 62.668 62.235 0.433 1
1 289 . 19 1 1 A 32 32 PRO CB C 32 31.394 32.784 -1.390 1
1 292 . 19 1 1 A 33 33 ASP H H 33 8.548 8.628 -0.080 1
1 293 . 19 1 1 A 33 33 ASP HA H 33 4.473 4.939 -0.466 1
1 296 . 19 1 1 A 33 33 ASP C C 33 175.989 176.593 -0.604 1
1 297 . 19 1 1 A 33 33 ASP CA C 33 52.775 52.334 0.441 1
1 298 . 19 1 1 A 33 33 ASP CB C 33 41.295 43.451 -2.156 1
1 299 . 19 1 1 A 33 33 ASP N N 33 123.152 121.395 1.757 1
1 300 . 19 1 1 A 34 34 VAL H H 34 8.493 8.591 -0.098 1
1 301 . 19 1 1 A 34 34 VAL HA H 34 3.522 3.786 -0.264 1
1 309 . 19 1 1 A 34 34 VAL C C 34 177.203 178.243 -1.040 1
1 310 . 19 1 1 A 34 34 VAL CA C 34 66.618 65.704 0.914 1
1 311 . 19 1 1 A 34 34 VAL CB C 34 31.697 31.707 -0.010 1
1 314 . 19 1 1 A 34 34 VAL N N 34 119.474 124.680 -5.206 1
1 315 . 19 1 1 A 35 35 GLY H H 35 8.389 8.062 0.327 1
1 316 . 19 1 1 A 35 35 GLY HA2 H 35 3.901 3.827 0.074 1
1 317 . 19 1 1 A 35 35 GLY HA3 H 35 3.901 3.829 0.072 1
1 318 . 19 1 1 A 35 35 GLY C C 35 176.985 176.571 0.414 1
1 319 . 19 1 1 A 35 35 GLY CA C 35 46.976 47.441 -0.465 1
1 320 . 19 1 1 A 35 35 GLY N N 35 109.478 108.674 0.804 1
1 321 . 19 1 1 A 36 36 THR H H 36 8.142 7.932 0.210 1
1 322 . 19 1 1 A 36 36 THR HA H 36 3.918 4.040 -0.122 1
1 327 . 19 1 1 A 36 36 THR C C 36 177.616 176.782 0.834 1
1 328 . 19 1 1 A 36 36 THR CA C 36 66.957 66.065 0.892 1
1 329 . 19 1 1 A 36 36 THR CB C 36 67.887 68.492 -0.605 1
1 331 . 19 1 1 A 36 36 THR N N 36 121.210 118.005 3.205 1
1 332 . 19 1 1 A 37 37 ARG H H 37 8.396 8.234 0.162 1
1 333 . 19 1 1 A 37 37 ARG HA H 37 3.712 3.948 -0.236 1
1 341 . 19 1 1 A 37 37 ARG C C 37 177.980 179.288 -1.308 1
1 342 . 19 1 1 A 37 37 ARG CA C 37 61.187 59.617 1.570 1
1 343 . 19 1 1 A 37 37 ARG CB C 37 31.250 29.926 1.324 1
1 346 . 19 1 1 A 37 37 ARG N N 37 121.196 120.317 0.879 1
1 348 . 19 1 1 A 38 38 GLU H H 38 8.843 8.530 0.313 1
1 349 . 19 1 1 A 38 38 GLU HA H 38 3.905 4.020 -0.115 1
1 354 . 19 1 1 A 38 38 GLU C C 38 178.636 179.251 -0.615 1
1 355 . 19 1 1 A 38 38 GLU CA C 38 59.797 59.195 0.602 1
1 356 . 19 1 1 A 38 38 GLU CB C 38 29.529 29.144 0.385 1
1 358 . 19 1 1 A 38 38 GLU N N 38 119.875 119.715 0.160 1
1 359 . 19 1 1 A 39 39 GLN H H 39 7.939 7.447 0.492 1
1 360 . 19 1 1 A 39 39 GLN HA H 39 3.977 3.993 -0.016 1
1 367 . 19 1 1 A 39 39 GLN C C 39 178.782 177.736 1.046 1
1 368 . 19 1 1 A 39 39 GLN CA C 39 59.078 58.751 0.327 1
1 369 . 19 1 1 A 39 39 GLN CB C 39 28.426 28.248 0.178 1
1 371 . 19 1 1 A 39 39 GLN N N 39 118.456 118.795 -0.339 1
1 373 . 19 1 1 A 40 40 LEU H H 40 7.515 8.313 -0.798 1
1 374 . 19 1 1 A 40 40 LEU HA H 40 4.129 4.060 0.069 1
1 384 . 19 1 1 A 40 40 LEU C C 40 178.150 178.123 0.027 1
1 385 . 19 1 1 A 40 40 LEU CA C 40 58.273 58.237 0.036 1
1 386 . 19 1 1 A 40 40 LEU CB C 40 41.194 41.395 -0.201 1
1 390 . 19 1 1 A 40 40 LEU N N 40 121.414 122.269 -0.855 1
1 391 . 19 1 1 A 41 41 ALA H H 41 8.577 8.754 -0.177 1
1 392 . 19 1 1 A 41 41 ALA HA H 41 3.650 4.082 -0.432 1
1 396 . 19 1 1 A 41 41 ALA C C 41 179.559 180.255 -0.696 1
1 397 . 19 1 1 A 41 41 ALA CA C 41 55.925 55.501 0.424 1
1 398 . 19 1 1 A 41 41 ALA CB C 41 17.487 18.572 -1.085 1
1 399 . 19 1 1 A 41 41 ALA N N 41 121.362 121.076 0.286 1
1 400 . 19 1 1 A 42 42 ARG H H 42 7.986 7.814 0.172 1
1 401 . 19 1 1 A 42 42 ARG HA H 42 4.083 3.985 0.098 1
1 408 . 19 1 1 A 42 42 ARG C C 42 179.000 178.646 0.354 1
1 409 . 19 1 1 A 42 42 ARG CA C 42 58.578 59.644 -1.066 1
1 410 . 19 1 1 A 42 42 ARG CB C 42 30.495 29.924 0.571 1
1 413 . 19 1 1 A 42 42 ARG N N 42 114.579 117.592 -3.013 1
1 414 . 19 1 1 A 43 43 LYS H H 43 7.706 7.972 -0.266 1
1 415 . 19 1 1 A 43 43 LYS HA H 43 4.023 4.048 -0.025 1
1 424 . 19 1 1 A 43 43 LYS C C 43 178.248 178.468 -0.220 1
1 425 . 19 1 1 A 43 43 LYS CA C 43 59.177 58.911 0.266 1
1 426 . 19 1 1 A 43 43 LYS CB C 43 33.134 32.452 0.682 1
1 430 . 19 1 1 A 43 43 LYS N N 43 119.896 120.097 -0.201 1
1 431 . 19 1 1 A 44 44 VAL H H 44 7.681 7.713 -0.032 1
1 432 . 19 1 1 A 44 44 VAL HA H 44 4.522 4.406 0.116 1
1 440 . 19 1 1 A 44 44 VAL C C 44 174.654 174.845 -0.191 1
1 441 . 19 1 1 A 44 44 VAL CA C 44 59.912 61.313 -1.401 1
1 442 . 19 1 1 A 44 44 VAL CB C 44 30.979 31.524 -0.545 1
1 445 . 19 1 1 A 44 44 VAL N N 44 105.042 110.459 -5.417 1
1 446 . 19 1 1 A 45 45 HIS H H 45 7.398 7.581 -0.183 1
1 447 . 19 1 1 A 45 45 HIS HA H 45 4.293 4.190 0.103 1
1 451 . 19 1 1 A 45 45 HIS C C 45 174.144 173.923 0.221 1
1 452 . 19 1 1 A 45 45 HIS CA C 45 56.956 56.620 0.336 1
1 453 . 19 1 1 A 45 45 HIS CB C 45 26.353 26.585 -0.232 1
1 455 . 19 1 1 A 45 45 HIS N N 45 117.892 116.108 1.784 1
1 456 . 19 1 1 A 46 46 LEU H H 46 8.571 7.903 0.668 1
1 457 . 19 1 1 A 46 46 LEU HA H 46 4.855 4.929 -0.074 1
1 467 . 19 1 1 A 46 46 LEU C C 46 176.256 175.176 1.080 1
1 468 . 19 1 1 A 46 46 LEU CA C 46 52.689 53.343 -0.654 1
1 469 . 19 1 1 A 46 46 LEU CB C 46 47.746 45.888 1.858 1
1 473 . 19 1 1 A 46 46 LEU N N 46 119.288 118.662 0.626 1
1 474 . 19 1 1 A 47 47 ARG H H 47 7.979 8.756 -0.777 1
1 475 . 19 1 1 A 47 47 ARG HA H 47 4.439 4.549 -0.110 1
1 482 . 19 1 1 A 47 47 ARG C C 47 178.830 177.808 1.022 1
1 483 . 19 1 1 A 47 47 ARG CA C 47 55.871 54.823 1.048 1
1 484 . 19 1 1 A 47 47 ARG CB C 47 30.838 31.933 -1.095 1
1 487 . 19 1 1 A 47 47 ARG N N 47 119.085 120.238 -1.153 1
1 488 . 19 1 1 A 48 48 GLU H H 48 9.642 8.966 0.676 1
1 489 . 19 1 1 A 48 48 GLU HA H 48 3.644 3.937 -0.293 1
1 494 . 19 1 1 A 48 48 GLU C C 48 178.515 178.543 -0.028 1
1 495 . 19 1 1 A 48 48 GLU CA C 48 61.612 59.778 1.834 1
1 496 . 19 1 1 A 48 48 GLU CB C 48 28.860 29.342 -0.482 1
1 498 . 19 1 1 A 48 48 GLU N N 48 125.963 122.780 3.183 1
1 499 . 19 1 1 A 49 49 GLU H H 49 9.638 8.312 1.326 1
1 500 . 19 1 1 A 49 49 GLU HA H 49 4.239 4.079 0.160 1
1 505 . 19 1 1 A 49 49 GLU C C 49 178.927 179.025 -0.098 1
1 506 . 19 1 1 A 49 49 GLU CA C 49 59.681 59.452 0.229 1
1 507 . 19 1 1 A 49 49 GLU CB C 49 28.531 29.354 -0.823 1
1 509 . 19 1 1 A 49 49 GLU N N 49 118.929 118.503 0.426 1
1 510 . 19 1 1 A 50 50 LYS H H 50 7.398 7.836 -0.438 1
1 511 . 19 1 1 A 50 50 LYS HA H 50 4.318 4.194 0.124 1
1 520 . 19 1 1 A 50 50 LYS C C 50 179.486 179.299 0.187 1
1 521 . 19 1 1 A 50 50 LYS CA C 50 58.084 59.648 -1.564 1
1 522 . 19 1 1 A 50 50 LYS CB C 50 32.487 32.556 -0.069 1
1 526 . 19 1 1 A 50 50 LYS N N 50 117.569 120.009 -2.440 1
1 527 . 19 1 1 A 51 51 VAL H H 51 7.614 8.229 -0.615 1
1 528 . 19 1 1 A 51 51 VAL HA H 51 3.739 3.632 0.107 1
1 536 . 19 1 1 A 51 51 VAL C C 51 177.641 177.971 -0.330 1
1 537 . 19 1 1 A 51 51 VAL CA C 51 66.900 67.235 -0.335 1
1 538 . 19 1 1 A 51 51 VAL CB C 51 31.876 31.464 0.412 1
1 541 . 19 1 1 A 51 51 VAL N N 51 120.291 120.597 -0.306 1
1 542 . 19 1 1 A 52 52 GLU H H 52 8.274 8.025 0.249 1
1 543 . 19 1 1 A 52 52 GLU HA H 52 4.198 3.910 0.288 1
1 547 . 19 1 1 A 52 52 GLU C C 52 179.073 178.708 0.365 1
1 548 . 19 1 1 A 52 52 GLU CA C 52 60.434 59.542 0.892 1
1 549 . 19 1 1 A 52 52 GLU CB C 52 29.073 29.512 -0.439 1
1 551 . 19 1 1 A 52 52 GLU N N 52 120.105 120.066 0.039 1
1 552 . 19 1 1 A 53 53 VAL H H 53 7.936 7.888 0.048 1
1 553 . 19 1 1 A 53 53 VAL HA H 53 3.692 3.788 -0.096 1
1 561 . 19 1 1 A 53 53 VAL C C 53 177.592 178.254 -0.662 1
1 562 . 19 1 1 A 53 53 VAL CA C 53 66.935 66.412 0.523 1
1 563 . 19 1 1 A 53 53 VAL CB C 53 32.273 31.744 0.529 1
1 566 . 19 1 1 A 53 53 VAL N N 53 119.238 119.618 -0.380 1
1 567 . 19 1 1 A 54 54 TRP H H 54 8.321 8.083 0.238 1
1 568 . 19 1 1 A 54 54 TRP HA H 54 4.083 4.243 -0.160 1
1 577 . 19 1 1 A 54 54 TRP C C 54 179.802 178.319 1.483 1
1 578 . 19 1 1 A 54 54 TRP CA C 54 63.129 61.183 1.946 1
1 579 . 19 1 1 A 54 54 TRP CB C 54 28.635 29.402 -0.767 1
1 585 . 19 1 1 A 54 54 TRP N N 54 121.382 121.617 -0.235 1
1 587 . 19 1 1 A 55 55 PHE H H 55 8.834 8.221 0.613 1
1 588 . 19 1 1 A 55 55 PHE HA H 55 3.676 4.219 -0.543 1
1 596 . 19 1 1 A 55 55 PHE C C 55 178.150 178.396 -0.246 1
1 597 . 19 1 1 A 55 55 PHE CA C 55 64.096 62.167 1.929 1
1 598 . 19 1 1 A 55 55 PHE CB C 55 39.358 38.560 0.798 1
1 604 . 19 1 1 A 55 55 PHE N N 55 118.755 118.553 0.202 1
1 605 . 19 1 1 A 56 56 LYS H H 56 8.241 8.308 -0.067 1
1 606 . 19 1 1 A 56 56 LYS HA H 56 3.977 4.009 -0.032 1
1 612 . 19 1 1 A 56 56 LYS C C 56 180.166 180.019 0.147 1
1 613 . 19 1 1 A 56 56 LYS CA C 56 60.744 59.340 1.404 1
1 614 . 19 1 1 A 56 56 LYS CB C 56 32.322 32.068 0.254 1
1 618 . 19 1 1 A 56 56 LYS N N 56 120.065 118.383 1.682 1
1 619 . 19 1 1 A 57 57 ASN H H 57 8.084 8.350 -0.266 1
1 620 . 19 1 1 A 57 57 ASN HA H 57 4.367 4.489 -0.122 1
1 625 . 19 1 1 A 57 57 ASN C C 57 177.422 178.269 -0.847 1
1 626 . 19 1 1 A 57 57 ASN CA C 57 55.660 56.259 -0.599 1
1 627 . 19 1 1 A 57 57 ASN CB C 57 38.008 37.669 0.339 1
1 628 . 19 1 1 A 57 57 ASN N N 57 118.967 118.159 0.808 1
1 630 . 19 1 1 A 58 58 ARG H H 58 8.575 7.497 1.078 1
1 631 . 19 1 1 A 58 58 ARG HA H 58 3.463 3.671 -0.208 1
1 639 . 19 1 1 A 58 58 ARG C C 58 180.044 179.153 0.891 1
1 640 . 19 1 1 A 58 58 ARG CA C 58 56.568 59.315 -2.747 1
1 641 . 19 1 1 A 58 58 ARG CB C 58 28.155 29.247 -1.092 1
1 644 . 19 1 1 A 58 58 ARG N N 58 124.441 119.804 4.637 1
1 646 . 19 1 1 A 59 59 ARG H H 59 8.490 8.083 0.407 1
1 647 . 19 1 1 A 59 59 ARG HA H 59 4.334 4.254 0.080 1
1 653 . 19 1 1 A 59 59 ARG C C 59 178.223 178.794 -0.571 1
1 654 . 19 1 1 A 59 59 ARG CA C 59 60.699 59.886 0.813 1
1 655 . 19 1 1 A 59 59 ARG CB C 59 31.905 30.197 1.708 1
1 658 . 19 1 1 A 59 59 ARG N N 59 118.847 119.558 -0.711 1
1 659 . 19 1 1 A 60 60 ALA H H 60 7.459 7.858 -0.399 1
1 660 . 19 1 1 A 60 60 ALA HA H 60 4.225 4.134 0.091 1
1 664 . 19 1 1 A 60 60 ALA C C 60 179.680 179.752 -0.072 1
1 665 . 19 1 1 A 60 60 ALA CA C 60 55.051 55.284 -0.233 1
1 666 . 19 1 1 A 60 60 ALA CB C 60 17.817 18.626 -0.809 1
1 667 . 19 1 1 A 60 60 ALA N N 60 121.387 121.680 -0.293 1
1 668 . 19 1 1 A 61 61 LYS H H 61 7.452 7.949 -0.497 1
1 669 . 19 1 1 A 61 61 LYS HA H 61 4.042 4.061 -0.019 1
1 676 . 19 1 1 A 61 61 LYS C C 61 178.078 178.331 -0.253 1
1 677 . 19 1 1 A 61 61 LYS CA C 61 58.472 59.218 -0.746 1
1 678 . 19 1 1 A 61 61 LYS CB C 61 32.734 32.208 0.526 1
1 682 . 19 1 1 A 61 61 LYS N N 61 118.087 118.298 -0.211 1
1 683 . 19 1 1 A 62 62 TRP H H 62 8.008 8.086 -0.078 1
1 684 . 19 1 1 A 62 62 TRP HA H 62 4.632 4.247 0.385 1
1 693 . 19 1 1 A 62 62 TRP C C 62 177.471 178.022 -0.551 1
1 694 . 19 1 1 A 62 62 TRP CA C 62 59.120 61.157 -2.037 1
1 695 . 19 1 1 A 62 62 TRP CB C 62 29.366 29.939 -0.573 1
1 701 . 19 1 1 A 62 62 TRP N N 62 121.749 122.007 -0.258 1
1 703 . 19 1 1 A 63 63 ARG H H 63 8.286 8.427 -0.141 1
1 704 . 19 1 1 A 63 63 ARG HA H 63 3.736 3.180 0.556 1
1 711 . 19 1 1 A 63 63 ARG C C 63 176.888 178.366 -1.478 1
1 712 . 19 1 1 A 63 63 ARG CA C 63 57.385 58.438 -1.053 1
1 713 . 19 1 1 A 63 63 ARG CB C 63 30.726 29.834 0.892 1
1 716 . 19 1 1 A 63 63 ARG N N 63 119.622 118.622 1.000 1
1 717 . 19 1 1 A 64 64 ARG H H 64 7.670 7.374 0.296 1
1 718 . 19 1 1 A 64 64 ARG HA H 64 4.196 4.022 0.174 1
1 723 . 19 1 1 A 64 64 ARG C C 64 176.645 175.964 0.681 1
1 724 . 19 1 1 A 64 64 ARG CA C 64 56.956 59.075 -2.119 1
1 725 . 19 1 1 A 64 64 ARG CB C 64 30.369 29.692 0.677 1
1 728 . 19 1 1 A 64 64 ARG N N 64 119.096 120.451 -1.355 1
1 729 . 19 1 1 A 65 65 SER H H 65 7.962 8.124 -0.162 1
1 730 . 19 1 1 A 65 65 SER HA H 65 4.474 3.999 0.475 1
1 733 . 19 1 1 A 65 65 SER C C 65 174.435 173.700 0.735 1
1 734 . 19 1 1 A 65 65 SER CA C 65 58.837 59.252 -0.415 1
1 735 . 19 1 1 A 65 65 SER CB C 65 63.947 61.674 2.273 1
1 736 . 19 1 1 A 65 65 SER N N 65 115.352 113.613 1.739 1
1 737 . 19 1 1 A 66 66 GLY H H 66 8.031 8.146 -0.115 1
1 738 . 19 1 1 A 66 66 GLY HA2 H 66 4.068 4.031 0.037 1
1 739 . 19 1 1 A 66 66 GLY C C 66 171.813 173.150 -1.337 1
1 740 . 19 1 1 A 66 66 GLY CA C 66 44.800 44.359 0.441 1
1 741 . 19 1 1 A 66 66 GLY N N 66 110.503 108.552 1.951 1
1 742 . 19 1 1 A 67 67 PRO HA H 67 4.456 4.564 -0.108 1
1 747 . 19 1 1 A 67 67 PRO CA C 67 63.352 62.604 0.748 1
1 748 . 19 1 1 A 67 67 PRO CB C 67 32.167 32.649 -0.482 1
1 751 . 19 1 1 A 68 68 SER HA H 68 4.457 4.919 -0.462 1
1 754 . 19 1 1 A 68 68 SER C C 68 174.654 175.614 -0.960 1
1 755 . 19 1 1 A 68 68 SER CA C 68 58.612 56.462 2.150 1
1 756 . 19 1 1 A 68 68 SER CB C 68 63.845 66.560 -2.715 1
1 757 . 19 1 1 A 69 69 SER HA H 69 4.491 4.267 0.224 1
1 760 . 19 1 1 A 69 69 SER C C 69 173.925 175.067 -1.142 1
1 761 . 19 1 1 A 69 69 SER CA C 69 58.423 60.867 -2.444 1
1 762 . 19 1 1 A 69 69 SER CB C 69 63.969 63.569 0.400 1
1 1 . 20 1 1 A 10 10 HIS HA H 10 4.605 5.511 -0.906 1
1 5 . 20 1 1 A 10 10 HIS CA C 10 56.397 53.752 2.645 1
1 6 . 20 1 1 A 10 10 HIS CB C 10 29.857 32.431 -2.574 1
1 8 . 20 1 1 A 12 12 THR HA H 12 4.305 4.781 -0.476 1
1 13 . 20 1 1 A 12 12 THR C C 12 173.925 174.062 -0.137 1
1 14 . 20 1 1 A 12 12 THR CA C 12 62.068 62.225 -0.157 1
1 15 . 20 1 1 A 12 12 THR CB C 12 69.817 69.576 0.241 1
1 17 . 20 1 1 A 13 13 ILE H H 13 8.188 8.669 -0.481 1
1 18 . 20 1 1 A 13 13 ILE HA H 13 4.139 3.964 0.175 1
1 28 . 20 1 1 A 13 13 ILE C C 13 175.795 176.041 -0.246 1
1 29 . 20 1 1 A 13 13 ILE CA C 13 61.202 64.095 -2.893 1
1 30 . 20 1 1 A 13 13 ILE CB C 13 38.686 38.459 0.227 1
1 34 . 20 1 1 A 13 13 ILE N N 13 123.673 128.624 -4.951 1
1 35 . 20 1 1 A 14 14 PHE H H 14 8.178 8.447 -0.269 1
1 36 . 20 1 1 A 14 14 PHE HA H 14 4.977 4.936 0.041 1
1 44 . 20 1 1 A 14 14 PHE C C 14 176.475 176.066 0.409 1
1 45 . 20 1 1 A 14 14 PHE CA C 14 57.025 57.621 -0.596 1
1 46 . 20 1 1 A 14 14 PHE CB C 14 41.482 41.095 0.387 1
1 52 . 20 1 1 A 14 14 PHE N N 14 122.586 118.116 4.470 1
1 53 . 20 1 1 A 15 15 THR H H 15 8.792 9.131 -0.339 1
1 54 . 20 1 1 A 15 15 THR HA H 15 4.462 4.658 -0.196 1
1 59 . 20 1 1 A 15 15 THR C C 15 175.261 175.642 -0.381 1
1 60 . 20 1 1 A 15 15 THR CA C 15 60.623 60.768 -0.145 1
1 61 . 20 1 1 A 15 15 THR CB C 15 70.645 71.052 -0.407 1
1 63 . 20 1 1 A 15 15 THR N N 15 113.201 114.424 -1.223 1
1 64 . 20 1 1 A 16 16 ASP H H 16 9.018 9.080 -0.062 1
1 65 . 20 1 1 A 16 16 ASP HA H 16 4.371 4.385 -0.014 1
1 68 . 20 1 1 A 16 16 ASP C C 16 178.806 178.395 0.411 1
1 69 . 20 1 1 A 16 16 ASP CA C 16 58.163 57.256 0.907 1
1 70 . 20 1 1 A 16 16 ASP CB C 16 39.689 39.996 -0.307 1
1 71 . 20 1 1 A 16 16 ASP N N 16 121.802 121.473 0.329 1
1 72 . 20 1 1 A 17 17 GLU H H 17 8.785 8.228 0.557 1
1 73 . 20 1 1 A 17 17 GLU HA H 17 4.054 3.971 0.083 1
1 78 . 20 1 1 A 17 17 GLU C C 17 180.044 178.722 1.322 1
1 79 . 20 1 1 A 17 17 GLU CA C 17 59.706 59.796 -0.090 1
1 80 . 20 1 1 A 17 17 GLU CB C 17 29.520 29.041 0.479 1
1 82 . 20 1 1 A 17 17 GLU N N 17 119.474 119.394 0.080 1
1 83 . 20 1 1 A 18 18 GLN H H 18 7.700 7.780 -0.080 1
1 84 . 20 1 1 A 18 18 GLN HA H 18 3.665 3.884 -0.219 1
1 91 . 20 1 1 A 18 18 GLN C C 18 177.009 178.672 -1.663 1
1 92 . 20 1 1 A 18 18 GLN CA C 18 59.354 59.203 0.151 1
1 93 . 20 1 1 A 18 18 GLN CB C 18 27.377 28.224 -0.847 1
1 95 . 20 1 1 A 18 18 GLN N N 18 119.784 118.224 1.560 1
1 97 . 20 1 1 A 19 19 LEU H H 19 8.383 8.209 0.174 1
1 98 . 20 1 1 A 19 19 LEU HA H 19 3.585 3.899 -0.314 1
1 108 . 20 1 1 A 19 19 LEU C C 19 178.830 178.734 0.096 1
1 109 . 20 1 1 A 19 19 LEU CA C 19 57.908 57.872 0.036 1
1 110 . 20 1 1 A 19 19 LEU CB C 19 41.703 41.224 0.479 1
1 114 . 20 1 1 A 19 19 LEU N N 19 117.889 119.318 -1.429 1
1 115 . 20 1 1 A 20 20 GLU H H 20 8.119 8.640 -0.521 1
1 116 . 20 1 1 A 20 20 GLU HA H 20 3.897 3.957 -0.060 1
1 121 . 20 1 1 A 20 20 GLU C C 20 178.126 178.459 -0.333 1
1 122 . 20 1 1 A 20 20 GLU CA C 20 59.248 59.408 -0.160 1
1 123 . 20 1 1 A 20 20 GLU CB C 20 29.697 29.313 0.384 1
1 125 . 20 1 1 A 20 20 GLU N N 20 118.697 120.095 -1.398 1
1 126 . 20 1 1 A 21 21 ALA H H 21 7.309 7.824 -0.515 1
1 127 . 20 1 1 A 21 21 ALA HA H 21 4.057 4.084 -0.027 1
1 131 . 20 1 1 A 21 21 ALA C C 21 180.773 179.604 1.169 1
1 132 . 20 1 1 A 21 21 ALA CA C 21 54.947 55.141 -0.194 1
1 133 . 20 1 1 A 21 21 ALA CB C 21 18.888 18.510 0.378 1
1 134 . 20 1 1 A 21 21 ALA N N 21 120.540 121.200 -0.660 1
1 135 . 20 1 1 A 22 22 LEU H H 22 8.070 7.812 0.258 1
1 136 . 20 1 1 A 22 22 LEU HA H 22 3.428 3.611 -0.183 1
1 146 . 20 1 1 A 22 22 LEU C C 22 177.131 179.204 -2.073 1
1 147 . 20 1 1 A 22 22 LEU CA C 22 58.408 57.559 0.849 1
1 148 . 20 1 1 A 22 22 LEU CB C 22 38.173 40.010 -1.837 1
1 152 . 20 1 1 A 22 22 LEU N N 22 121.563 117.504 4.059 1
1 153 . 20 1 1 A 23 23 GLU H H 23 7.997 8.141 -0.144 1
1 154 . 20 1 1 A 23 23 GLU HA H 23 4.289 4.174 0.115 1
1 159 . 20 1 1 A 23 23 GLU C C 23 179.510 179.320 0.190 1
1 160 . 20 1 1 A 23 23 GLU CA C 23 58.734 59.773 -1.039 1
1 161 . 20 1 1 A 23 23 GLU CB C 23 28.879 29.482 -0.603 1
1 163 . 20 1 1 A 23 23 GLU N N 23 118.641 117.488 1.153 1
1 164 . 20 1 1 A 24 24 ASN H H 24 8.282 8.408 -0.126 1
1 165 . 20 1 1 A 24 24 ASN HA H 24 4.443 4.515 -0.072 1
1 170 . 20 1 1 A 24 24 ASN C C 24 178.563 177.784 0.779 1
1 171 . 20 1 1 A 24 24 ASN CA C 24 56.145 55.897 0.248 1
1 172 . 20 1 1 A 24 24 ASN CB C 24 38.055 38.206 -0.151 1
1 173 . 20 1 1 A 24 24 ASN N N 24 117.495 118.180 -0.685 1
1 175 . 20 1 1 A 25 25 LEU H H 25 7.852 7.994 -0.142 1
1 176 . 20 1 1 A 25 25 LEU HA H 25 4.445 4.272 0.173 1
1 186 . 20 1 1 A 25 25 LEU C C 25 177.276 178.277 -1.001 1
1 187 . 20 1 1 A 25 25 LEU CA C 25 57.963 57.354 0.609 1
1 188 . 20 1 1 A 25 25 LEU CB C 25 40.400 42.569 -2.169 1
1 192 . 20 1 1 A 25 25 LEU N N 25 121.261 121.047 0.214 1
1 193 . 20 1 1 A 26 26 PHE H H 26 8.711 8.680 0.031 1
1 194 . 20 1 1 A 26 26 PHE HA H 26 4.628 4.345 0.283 1
1 202 . 20 1 1 A 26 26 PHE C C 26 176.232 177.480 -1.248 1
1 203 . 20 1 1 A 26 26 PHE CA C 26 61.011 60.994 0.017 1
1 204 . 20 1 1 A 26 26 PHE CB C 26 38.906 38.836 0.070 1
1 210 . 20 1 1 A 26 26 PHE N N 26 120.816 119.357 1.459 1
1 211 . 20 1 1 A 27 27 GLN H H 27 8.007 7.906 0.101 1
1 212 . 20 1 1 A 27 27 GLN HA H 27 3.665 3.726 -0.061 1
1 219 . 20 1 1 A 27 27 GLN C C 27 177.106 178.469 -1.363 1
1 220 . 20 1 1 A 27 27 GLN CA C 27 57.892 59.164 -1.272 1
1 221 . 20 1 1 A 27 27 GLN CB C 27 28.195 28.468 -0.273 1
1 223 . 20 1 1 A 27 27 GLN N N 27 114.037 118.125 -4.088 1
1 225 . 20 1 1 A 28 28 GLU H H 28 7.467 8.517 -1.050 1
1 226 . 20 1 1 A 28 28 GLU HA H 28 4.190 4.172 0.018 1
1 231 . 20 1 1 A 28 28 GLU C C 28 177.106 176.299 0.807 1
1 232 . 20 1 1 A 28 28 GLU CA C 28 58.138 58.333 -0.195 1
1 233 . 20 1 1 A 28 28 GLU CB C 28 30.756 29.270 1.486 1
1 235 . 20 1 1 A 28 28 GLU N N 28 119.193 116.886 2.307 1
1 236 . 20 1 1 A 29 29 THR H H 29 8.971 7.696 1.275 1
1 237 . 20 1 1 A 29 29 THR HA H 29 4.321 4.663 -0.342 1
1 242 . 20 1 1 A 29 29 THR C C 29 170.526 173.980 -3.454 1
1 243 . 20 1 1 A 29 29 THR CA C 29 59.885 60.133 -0.248 1
1 244 . 20 1 1 A 29 29 THR CB C 29 69.656 70.896 -1.240 1
1 246 . 20 1 1 A 29 29 THR N N 29 116.904 113.588 3.316 1
1 247 . 20 1 1 A 30 30 LYS H H 30 7.942 8.640 -0.698 1
1 248 . 20 1 1 A 30 30 LYS HA H 30 3.765 4.290 -0.525 1
1 257 . 20 1 1 A 30 30 LYS C C 30 175.844 176.817 -0.973 1
1 258 . 20 1 1 A 30 30 LYS CA C 30 56.583 57.980 -1.397 1
1 259 . 20 1 1 A 30 30 LYS CB C 30 32.421 33.162 -0.741 1
1 263 . 20 1 1 A 30 30 LYS N N 30 123.132 125.823 -2.691 1
1 264 . 20 1 1 A 31 31 TYR H H 31 7.788 8.055 -0.267 1
1 265 . 20 1 1 A 31 31 TYR HA H 31 4.608 5.115 -0.507 1
1 272 . 20 1 1 A 31 31 TYR C C 31 172.687 173.132 -0.445 1
1 273 . 20 1 1 A 31 31 TYR CA C 31 54.864 54.551 0.313 1
1 274 . 20 1 1 A 31 31 TYR CB C 31 38.777 39.019 -0.242 1
1 279 . 20 1 1 A 31 31 TYR N N 31 113.626 116.996 -3.370 1
1 280 . 20 1 1 A 32 32 PRO HA H 32 4.399 4.507 -0.108 1
1 287 . 20 1 1 A 32 32 PRO C C 32 177.203 176.406 0.797 1
1 288 . 20 1 1 A 32 32 PRO CA C 32 62.668 63.000 -0.332 1
1 289 . 20 1 1 A 32 32 PRO CB C 32 31.394 32.083 -0.689 1
1 292 . 20 1 1 A 33 33 ASP H H 33 8.548 8.560 -0.012 1
1 293 . 20 1 1 A 33 33 ASP HA H 33 4.473 4.546 -0.073 1
1 296 . 20 1 1 A 33 33 ASP C C 33 175.989 177.054 -1.065 1
1 297 . 20 1 1 A 33 33 ASP CA C 33 52.775 53.696 -0.921 1
1 298 . 20 1 1 A 33 33 ASP CB C 33 41.295 42.255 -0.960 1
1 299 . 20 1 1 A 33 33 ASP N N 33 123.152 122.451 0.701 1
1 300 . 20 1 1 A 34 34 VAL H H 34 8.493 8.659 -0.166 1
1 301 . 20 1 1 A 34 34 VAL HA H 34 3.522 3.871 -0.349 1
1 309 . 20 1 1 A 34 34 VAL C C 34 177.203 178.352 -1.149 1
1 310 . 20 1 1 A 34 34 VAL CA C 34 66.618 65.643 0.975 1
1 311 . 20 1 1 A 34 34 VAL CB C 34 31.697 31.576 0.121 1
1 314 . 20 1 1 A 34 34 VAL N N 34 119.474 124.583 -5.109 1
1 315 . 20 1 1 A 35 35 GLY H H 35 8.389 7.821 0.568 1
1 316 . 20 1 1 A 35 35 GLY HA2 H 35 3.901 3.780 0.121 1
1 317 . 20 1 1 A 35 35 GLY HA3 H 35 3.901 3.783 0.118 1
1 318 . 20 1 1 A 35 35 GLY C C 35 176.985 176.398 0.587 1
1 319 . 20 1 1 A 35 35 GLY CA C 35 46.976 47.547 -0.571 1
1 320 . 20 1 1 A 35 35 GLY N N 35 109.478 108.781 0.697 1
1 321 . 20 1 1 A 36 36 THR H H 36 8.142 7.902 0.240 1
1 322 . 20 1 1 A 36 36 THR HA H 36 3.918 4.025 -0.107 1
1 327 . 20 1 1 A 36 36 THR C C 36 177.616 176.564 1.052 1
1 328 . 20 1 1 A 36 36 THR CA C 36 66.957 66.160 0.797 1
1 329 . 20 1 1 A 36 36 THR CB C 36 67.887 68.142 -0.255 1
1 331 . 20 1 1 A 36 36 THR N N 36 121.210 117.970 3.240 1
1 332 . 20 1 1 A 37 37 ARG H H 37 8.396 7.830 0.566 1
1 333 . 20 1 1 A 37 37 ARG HA H 37 3.712 3.898 -0.186 1
1 341 . 20 1 1 A 37 37 ARG C C 37 177.980 179.182 -1.202 1
1 342 . 20 1 1 A 37 37 ARG CA C 37 61.187 59.885 1.302 1
1 343 . 20 1 1 A 37 37 ARG CB C 37 31.250 30.201 1.049 1
1 346 . 20 1 1 A 37 37 ARG N N 37 121.196 120.660 0.536 1
1 348 . 20 1 1 A 38 38 GLU H H 38 8.843 8.200 0.643 1
1 349 . 20 1 1 A 38 38 GLU HA H 38 3.905 3.965 -0.060 1
1 354 . 20 1 1 A 38 38 GLU C C 38 178.636 179.081 -0.445 1
1 355 . 20 1 1 A 38 38 GLU CA C 38 59.797 59.299 0.498 1
1 356 . 20 1 1 A 38 38 GLU CB C 38 29.529 29.182 0.347 1
1 358 . 20 1 1 A 38 38 GLU N N 38 119.875 119.498 0.377 1
1 359 . 20 1 1 A 39 39 GLN H H 39 7.939 7.615 0.324 1
1 360 . 20 1 1 A 39 39 GLN HA H 39 3.977 3.933 0.044 1
1 367 . 20 1 1 A 39 39 GLN C C 39 178.782 178.197 0.585 1
1 368 . 20 1 1 A 39 39 GLN CA C 39 59.078 59.081 -0.003 1
1 369 . 20 1 1 A 39 39 GLN CB C 39 28.426 28.453 -0.027 1
1 371 . 20 1 1 A 39 39 GLN N N 39 118.456 118.817 -0.361 1
1 373 . 20 1 1 A 40 40 LEU H H 40 7.515 8.219 -0.704 1
1 374 . 20 1 1 A 40 40 LEU HA H 40 4.129 4.002 0.127 1
1 384 . 20 1 1 A 40 40 LEU C C 40 178.150 178.190 -0.040 1
1 385 . 20 1 1 A 40 40 LEU CA C 40 58.273 58.374 -0.101 1
1 386 . 20 1 1 A 40 40 LEU CB C 40 41.194 41.585 -0.391 1
1 390 . 20 1 1 A 40 40 LEU N N 40 121.414 122.021 -0.607 1
1 391 . 20 1 1 A 41 41 ALA H H 41 8.577 8.763 -0.186 1
1 392 . 20 1 1 A 41 41 ALA HA H 41 3.650 4.051 -0.401 1
1 396 . 20 1 1 A 41 41 ALA C C 41 179.559 180.272 -0.713 1
1 397 . 20 1 1 A 41 41 ALA CA C 41 55.925 55.537 0.388 1
1 398 . 20 1 1 A 41 41 ALA CB C 41 17.487 18.624 -1.137 1
1 399 . 20 1 1 A 41 41 ALA N N 41 121.362 120.515 0.847 1
1 400 . 20 1 1 A 42 42 ARG H H 42 7.986 7.875 0.111 1
1 401 . 20 1 1 A 42 42 ARG HA H 42 4.083 3.979 0.104 1
1 408 . 20 1 1 A 42 42 ARG C C 42 179.000 178.580 0.420 1
1 409 . 20 1 1 A 42 42 ARG CA C 42 58.578 59.654 -1.076 1
1 410 . 20 1 1 A 42 42 ARG CB C 42 30.495 30.017 0.478 1
1 413 . 20 1 1 A 42 42 ARG N N 42 114.579 117.590 -3.011 1
1 414 . 20 1 1 A 43 43 LYS H H 43 7.706 7.792 -0.086 1
1 415 . 20 1 1 A 43 43 LYS HA H 43 4.023 4.079 -0.056 1
1 424 . 20 1 1 A 43 43 LYS C C 43 178.248 178.533 -0.285 1
1 425 . 20 1 1 A 43 43 LYS CA C 43 59.177 58.965 0.212 1
1 426 . 20 1 1 A 43 43 LYS CB C 43 33.134 32.468 0.666 1
1 430 . 20 1 1 A 43 43 LYS N N 43 119.896 120.101 -0.205 1
1 431 . 20 1 1 A 44 44 VAL H H 44 7.681 7.875 -0.194 1
1 432 . 20 1 1 A 44 44 VAL HA H 44 4.522 4.358 0.164 1
1 440 . 20 1 1 A 44 44 VAL C C 44 174.654 174.882 -0.228 1
1 441 . 20 1 1 A 44 44 VAL CA C 44 59.912 61.465 -1.553 1
1 442 . 20 1 1 A 44 44 VAL CB C 44 30.979 31.548 -0.569 1
1 445 . 20 1 1 A 44 44 VAL N N 44 105.042 110.500 -5.458 1
1 446 . 20 1 1 A 45 45 HIS H H 45 7.398 7.655 -0.257 1
1 447 . 20 1 1 A 45 45 HIS HA H 45 4.293 4.199 0.094 1
1 451 . 20 1 1 A 45 45 HIS C C 45 174.144 173.990 0.154 1
1 452 . 20 1 1 A 45 45 HIS CA C 45 56.956 56.624 0.332 1
1 453 . 20 1 1 A 45 45 HIS CB C 45 26.353 26.592 -0.239 1
1 455 . 20 1 1 A 45 45 HIS N N 45 117.892 116.159 1.733 1
1 456 . 20 1 1 A 46 46 LEU H H 46 8.571 7.916 0.655 1
1 457 . 20 1 1 A 46 46 LEU HA H 46 4.855 4.885 -0.030 1
1 467 . 20 1 1 A 46 46 LEU C C 46 176.256 175.392 0.864 1
1 468 . 20 1 1 A 46 46 LEU CA C 46 52.689 53.608 -0.919 1
1 469 . 20 1 1 A 46 46 LEU CB C 46 47.746 46.081 1.665 1
1 473 . 20 1 1 A 46 46 LEU N N 46 119.288 118.757 0.531 1
1 474 . 20 1 1 A 47 47 ARG H H 47 7.979 8.895 -0.916 1
1 475 . 20 1 1 A 47 47 ARG HA H 47 4.439 4.426 0.013 1
1 482 . 20 1 1 A 47 47 ARG C C 47 178.830 177.460 1.370 1
1 483 . 20 1 1 A 47 47 ARG CA C 47 55.871 55.876 -0.005 1
1 484 . 20 1 1 A 47 47 ARG CB C 47 30.838 30.888 -0.050 1
1 487 . 20 1 1 A 47 47 ARG N N 47 119.085 120.477 -1.392 1
1 488 . 20 1 1 A 48 48 GLU H H 48 9.642 9.188 0.454 1
1 489 . 20 1 1 A 48 48 GLU HA H 48 3.644 3.863 -0.219 1
1 494 . 20 1 1 A 48 48 GLU C C 48 178.515 178.184 0.331 1
1 495 . 20 1 1 A 48 48 GLU CA C 48 61.612 60.302 1.310 1
1 496 . 20 1 1 A 48 48 GLU CB C 48 28.860 29.582 -0.722 1
1 498 . 20 1 1 A 48 48 GLU N N 48 125.963 125.699 0.264 1
1 499 . 20 1 1 A 49 49 GLU H H 49 9.638 8.526 1.112 1
1 500 . 20 1 1 A 49 49 GLU HA H 49 4.239 3.975 0.264 1
1 505 . 20 1 1 A 49 49 GLU C C 49 178.927 179.252 -0.325 1
1 506 . 20 1 1 A 49 49 GLU CA C 49 59.681 59.192 0.489 1
1 507 . 20 1 1 A 49 49 GLU CB C 49 28.531 29.337 -0.806 1
1 509 . 20 1 1 A 49 49 GLU N N 49 118.929 118.523 0.406 1
1 510 . 20 1 1 A 50 50 LYS H H 50 7.398 7.828 -0.430 1
1 511 . 20 1 1 A 50 50 LYS HA H 50 4.318 4.064 0.254 1
1 520 . 20 1 1 A 50 50 LYS C C 50 179.486 179.287 0.199 1
1 521 . 20 1 1 A 50 50 LYS CA C 50 58.084 59.345 -1.261 1
1 522 . 20 1 1 A 50 50 LYS CB C 50 32.487 32.548 -0.061 1
1 526 . 20 1 1 A 50 50 LYS N N 50 117.569 120.110 -2.541 1
1 527 . 20 1 1 A 51 51 VAL H H 51 7.614 7.899 -0.285 1
1 528 . 20 1 1 A 51 51 VAL HA H 51 3.739 3.668 0.071 1
1 536 . 20 1 1 A 51 51 VAL C C 51 177.641 178.424 -0.783 1
1 537 . 20 1 1 A 51 51 VAL CA C 51 66.900 66.391 0.509 1
1 538 . 20 1 1 A 51 51 VAL CB C 51 31.876 31.491 0.385 1
1 541 . 20 1 1 A 51 51 VAL N N 51 120.291 120.278 0.013 1
1 542 . 20 1 1 A 52 52 GLU H H 52 8.274 7.940 0.334 1
1 543 . 20 1 1 A 52 52 GLU HA H 52 4.198 3.908 0.290 1
1 547 . 20 1 1 A 52 52 GLU C C 52 179.073 179.099 -0.026 1
1 548 . 20 1 1 A 52 52 GLU CA C 52 60.434 58.874 1.560 1
1 549 . 20 1 1 A 52 52 GLU CB C 52 29.073 29.400 -0.327 1
1 551 . 20 1 1 A 52 52 GLU N N 52 120.105 119.819 0.286 1
1 552 . 20 1 1 A 53 53 VAL H H 53 7.936 7.871 0.065 1
1 553 . 20 1 1 A 53 53 VAL HA H 53 3.692 3.656 0.036 1
1 561 . 20 1 1 A 53 53 VAL C C 53 177.592 178.099 -0.507 1
1 562 . 20 1 1 A 53 53 VAL CA C 53 66.935 66.082 0.853 1
1 563 . 20 1 1 A 53 53 VAL CB C 53 32.273 31.601 0.672 1
1 566 . 20 1 1 A 53 53 VAL N N 53 119.238 119.190 0.048 1
1 567 . 20 1 1 A 54 54 TRP H H 54 8.321 8.513 -0.192 1
1 568 . 20 1 1 A 54 54 TRP HA H 54 4.083 4.147 -0.064 1
1 577 . 20 1 1 A 54 54 TRP C C 54 179.802 178.140 1.662 1
1 578 . 20 1 1 A 54 54 TRP CA C 54 63.129 60.269 2.860 1
1 579 . 20 1 1 A 54 54 TRP CB C 54 28.635 29.611 -0.976 1
1 585 . 20 1 1 A 54 54 TRP N N 54 121.382 121.676 -0.294 1
1 587 . 20 1 1 A 55 55 PHE H H 55 8.834 8.077 0.757 1
1 588 . 20 1 1 A 55 55 PHE HA H 55 3.676 3.967 -0.291 1
1 596 . 20 1 1 A 55 55 PHE C C 55 178.150 178.398 -0.248 1
1 597 . 20 1 1 A 55 55 PHE CA C 55 64.096 60.569 3.527 1
1 598 . 20 1 1 A 55 55 PHE CB C 55 39.358 39.553 -0.195 1
1 604 . 20 1 1 A 55 55 PHE N N 55 118.755 116.885 1.870 1
1 605 . 20 1 1 A 56 56 LYS H H 56 8.241 7.820 0.421 1
1 606 . 20 1 1 A 56 56 LYS HA H 56 3.977 3.973 0.004 1
1 612 . 20 1 1 A 56 56 LYS C C 56 180.166 178.617 1.549 1
1 613 . 20 1 1 A 56 56 LYS CA C 56 60.744 59.073 1.671 1
1 614 . 20 1 1 A 56 56 LYS CB C 56 32.322 32.227 0.095 1
1 618 . 20 1 1 A 56 56 LYS N N 56 120.065 117.924 2.141 1
1 619 . 20 1 1 A 57 57 ASN H H 57 8.084 8.230 -0.146 1
1 620 . 20 1 1 A 57 57 ASN HA H 57 4.367 4.345 0.022 1
1 625 . 20 1 1 A 57 57 ASN C C 57 177.422 178.125 -0.703 1
1 626 . 20 1 1 A 57 57 ASN CA C 57 55.660 56.332 -0.672 1
1 627 . 20 1 1 A 57 57 ASN CB C 57 38.008 37.603 0.405 1
1 628 . 20 1 1 A 57 57 ASN N N 57 118.967 118.499 0.468 1
1 630 . 20 1 1 A 58 58 ARG H H 58 8.575 7.489 1.086 1
1 631 . 20 1 1 A 58 58 ARG HA H 58 3.463 3.781 -0.318 1
1 639 . 20 1 1 A 58 58 ARG C C 58 180.044 179.085 0.959 1
1 640 . 20 1 1 A 58 58 ARG CA C 58 56.568 59.196 -2.628 1
1 641 . 20 1 1 A 58 58 ARG CB C 58 28.155 29.515 -1.360 1
1 644 . 20 1 1 A 58 58 ARG N N 58 124.441 119.256 5.185 1
1 646 . 20 1 1 A 59 59 ARG H H 59 8.490 7.820 0.670 1
1 647 . 20 1 1 A 59 59 ARG HA H 59 4.334 4.229 0.105 1
1 653 . 20 1 1 A 59 59 ARG C C 59 178.223 178.771 -0.548 1
1 654 . 20 1 1 A 59 59 ARG CA C 59 60.699 59.555 1.144 1
1 655 . 20 1 1 A 59 59 ARG CB C 59 31.905 30.147 1.758 1
1 658 . 20 1 1 A 59 59 ARG N N 59 118.847 119.438 -0.591 1
1 659 . 20 1 1 A 60 60 ALA H H 60 7.459 7.956 -0.497 1
1 660 . 20 1 1 A 60 60 ALA HA H 60 4.225 4.100 0.125 1
1 664 . 20 1 1 A 60 60 ALA C C 60 179.680 179.674 0.006 1
1 665 . 20 1 1 A 60 60 ALA CA C 60 55.051 55.086 -0.035 1
1 666 . 20 1 1 A 60 60 ALA CB C 60 17.817 18.795 -0.978 1
1 667 . 20 1 1 A 60 60 ALA N N 60 121.387 121.665 -0.278 1
1 668 . 20 1 1 A 61 61 LYS H H 61 7.452 8.117 -0.665 1
1 669 . 20 1 1 A 61 61 LYS HA H 61 4.042 4.114 -0.072 1
1 676 . 20 1 1 A 61 61 LYS C C 61 178.078 178.615 -0.537 1
1 677 . 20 1 1 A 61 61 LYS CA C 61 58.472 58.917 -0.445 1
1 678 . 20 1 1 A 61 61 LYS CB C 61 32.734 32.523 0.211 1
1 682 . 20 1 1 A 61 61 LYS N N 61 118.087 117.589 0.498 1
1 683 . 20 1 1 A 62 62 TRP H H 62 8.008 8.140 -0.132 1
1 684 . 20 1 1 A 62 62 TRP HA H 62 4.632 4.195 0.437 1
1 693 . 20 1 1 A 62 62 TRP C C 62 177.471 178.620 -1.149 1
1 694 . 20 1 1 A 62 62 TRP CA C 62 59.120 61.006 -1.886 1
1 695 . 20 1 1 A 62 62 TRP CB C 62 29.366 29.863 -0.497 1
1 701 . 20 1 1 A 62 62 TRP N N 62 121.749 122.220 -0.471 1
1 703 . 20 1 1 A 63 63 ARG H H 63 8.286 8.880 -0.594 1
1 704 . 20 1 1 A 63 63 ARG HA H 63 3.736 3.527 0.209 1
1 711 . 20 1 1 A 63 63 ARG C C 63 176.888 178.445 -1.557 1
1 712 . 20 1 1 A 63 63 ARG CA C 63 57.385 58.698 -1.313 1
1 713 . 20 1 1 A 63 63 ARG CB C 63 30.726 30.090 0.636 1
1 716 . 20 1 1 A 63 63 ARG N N 63 119.622 118.557 1.065 1
1 717 . 20 1 1 A 64 64 ARG H H 64 7.670 7.896 -0.226 1
1 718 . 20 1 1 A 64 64 ARG HA H 64 4.196 4.069 0.127 1
1 723 . 20 1 1 A 64 64 ARG C C 64 176.645 176.821 -0.176 1
1 724 . 20 1 1 A 64 64 ARG CA C 64 56.956 58.722 -1.766 1
1 725 . 20 1 1 A 64 64 ARG CB C 64 30.369 30.029 0.340 1
1 728 . 20 1 1 A 64 64 ARG N N 64 119.096 120.495 -1.399 1
1 729 . 20 1 1 A 65 65 SER H H 65 7.962 7.655 0.307 1
1 730 . 20 1 1 A 65 65 SER HA H 65 4.474 4.324 0.150 1
1 733 . 20 1 1 A 65 65 SER C C 65 174.435 175.160 -0.725 1
1 734 . 20 1 1 A 65 65 SER CA C 65 58.837 57.652 1.185 1
1 735 . 20 1 1 A 65 65 SER CB C 65 63.947 63.684 0.263 1
1 736 . 20 1 1 A 65 65 SER N N 65 115.352 115.109 0.243 1
1 737 . 20 1 1 A 66 66 GLY H H 66 8.031 8.610 -0.579 1
1 738 . 20 1 1 A 66 66 GLY HA2 H 66 4.068 3.928 0.140 1
1 739 . 20 1 1 A 66 66 GLY C C 66 171.813 172.983 -1.170 1
1 740 . 20 1 1 A 66 66 GLY CA C 66 44.800 44.593 0.207 1
1 741 . 20 1 1 A 66 66 GLY N N 66 110.503 114.342 -3.839 1
1 742 . 20 1 1 A 67 67 PRO HA H 67 4.456 4.565 -0.109 1
1 747 . 20 1 1 A 67 67 PRO CA C 67 63.352 62.782 0.570 1
1 748 . 20 1 1 A 67 67 PRO CB C 67 32.167 31.749 0.418 1
1 751 . 20 1 1 A 68 68 SER HA H 68 4.457 4.110 0.347 1
1 754 . 20 1 1 A 68 68 SER C C 68 174.654 176.211 -1.557 1
1 755 . 20 1 1 A 68 68 SER CA C 68 58.612 61.470 -2.858 1
1 756 . 20 1 1 A 68 68 SER CB C 68 63.845 62.776 1.069 1
1 757 . 20 1 1 A 69 69 SER HA H 69 4.491 4.230 0.261 1
1 760 . 20 1 1 A 69 69 SER C C 69 173.925 175.213 -1.288 1
1 761 . 20 1 1 A 69 69 SER CA C 69 58.423 62.481 -4.058 1
1 762 . 20 1 1 A 69 69 SER CB C 69 63.969 62.822 1.147 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 57 1.154 1
2 1 1 1 "RMS(OBS, PRED)" CA 59 1.152 1
3 1 1 1 "RMS(OBS, PRED)" CB 57 1.047 1
4 1 1 1 "RMS(OBS, PRED)" H 53 0.452 1
5 1 1 1 "RMS(OBS, PRED)" HA 60 0.224 1
6 1 1 1 "RMS(OBS, PRED)" N 53 2.203 1
7 1 2 1 "RMS(OBS, PRED)" C 57 1.078 1
8 1 2 1 "RMS(OBS, PRED)" CA 59 1.117 1
9 1 2 1 "RMS(OBS, PRED)" CB 57 1.159 1
10 1 2 1 "RMS(OBS, PRED)" H 53 0.517 1
11 1 2 1 "RMS(OBS, PRED)" HA 60 0.261 1
12 1 2 1 "RMS(OBS, PRED)" N 53 2.392 1
13 1 3 1 "RMS(OBS, PRED)" C 57 1.113 1
14 1 3 1 "RMS(OBS, PRED)" CA 59 1.148 1
15 1 3 1 "RMS(OBS, PRED)" CB 57 0.926 1
16 1 3 1 "RMS(OBS, PRED)" H 53 0.515 1
17 1 3 1 "RMS(OBS, PRED)" HA 60 0.227 1
18 1 3 1 "RMS(OBS, PRED)" N 53 2.532 1
19 1 4 1 "RMS(OBS, PRED)" C 57 1.221 1
20 1 4 1 "RMS(OBS, PRED)" CA 59 1.214 1
21 1 4 1 "RMS(OBS, PRED)" CB 57 1.108 1
22 1 4 1 "RMS(OBS, PRED)" H 53 0.489 1
23 1 4 1 "RMS(OBS, PRED)" HA 60 0.239 1
24 1 4 1 "RMS(OBS, PRED)" N 53 2.137 1
25 1 5 1 "RMS(OBS, PRED)" C 57 1.137 1
26 1 5 1 "RMS(OBS, PRED)" CA 59 1.244 1
27 1 5 1 "RMS(OBS, PRED)" CB 57 0.978 1
28 1 5 1 "RMS(OBS, PRED)" H 53 0.482 1
29 1 5 1 "RMS(OBS, PRED)" HA 60 0.254 1
30 1 5 1 "RMS(OBS, PRED)" N 53 2.355 1
31 1 6 1 "RMS(OBS, PRED)" C 57 1.061 1
32 1 6 1 "RMS(OBS, PRED)" CA 59 1.246 1
33 1 6 1 "RMS(OBS, PRED)" CB 57 1.012 1
34 1 6 1 "RMS(OBS, PRED)" H 53 0.509 1
35 1 6 1 "RMS(OBS, PRED)" HA 60 0.202 1
36 1 6 1 "RMS(OBS, PRED)" N 53 2.130 1
37 1 7 1 "RMS(OBS, PRED)" C 57 1.054 1
38 1 7 1 "RMS(OBS, PRED)" CA 59 1.234 1
39 1 7 1 "RMS(OBS, PRED)" CB 57 1.042 1
40 1 7 1 "RMS(OBS, PRED)" H 53 0.536 1
41 1 7 1 "RMS(OBS, PRED)" HA 60 0.242 1
42 1 7 1 "RMS(OBS, PRED)" N 53 2.328 1
43 1 8 1 "RMS(OBS, PRED)" C 57 1.053 1
44 1 8 1 "RMS(OBS, PRED)" CA 59 1.137 1
45 1 8 1 "RMS(OBS, PRED)" CB 57 1.009 1
46 1 8 1 "RMS(OBS, PRED)" H 53 0.499 1
47 1 8 1 "RMS(OBS, PRED)" HA 60 0.243 1
48 1 8 1 "RMS(OBS, PRED)" N 53 2.147 1
49 1 9 1 "RMS(OBS, PRED)" C 57 1.076 1
50 1 9 1 "RMS(OBS, PRED)" CA 59 1.049 1
51 1 9 1 "RMS(OBS, PRED)" CB 57 0.899 1
52 1 9 1 "RMS(OBS, PRED)" H 53 0.484 1
53 1 9 1 "RMS(OBS, PRED)" HA 60 0.213 1
54 1 9 1 "RMS(OBS, PRED)" N 53 2.283 1
55 1 10 1 "RMS(OBS, PRED)" C 57 0.982 1
56 1 10 1 "RMS(OBS, PRED)" CA 59 1.137 1
57 1 10 1 "RMS(OBS, PRED)" CB 57 1.155 1
58 1 10 1 "RMS(OBS, PRED)" H 53 0.469 1
59 1 10 1 "RMS(OBS, PRED)" HA 60 0.256 1
60 1 10 1 "RMS(OBS, PRED)" N 53 2.255 1
61 1 11 1 "RMS(OBS, PRED)" C 57 0.979 1
62 1 11 1 "RMS(OBS, PRED)" CA 59 1.029 1
63 1 11 1 "RMS(OBS, PRED)" CB 57 0.966 1
64 1 11 1 "RMS(OBS, PRED)" H 53 0.489 1
65 1 11 1 "RMS(OBS, PRED)" HA 60 0.205 1
66 1 11 1 "RMS(OBS, PRED)" N 53 2.213 1
67 1 12 1 "RMS(OBS, PRED)" C 57 1.082 1
68 1 12 1 "RMS(OBS, PRED)" CA 59 1.057 1
69 1 12 1 "RMS(OBS, PRED)" CB 57 0.923 1
70 1 12 1 "RMS(OBS, PRED)" H 53 0.454 1
71 1 12 1 "RMS(OBS, PRED)" HA 60 0.236 1
72 1 12 1 "RMS(OBS, PRED)" N 53 2.377 1
73 1 13 1 "RMS(OBS, PRED)" C 57 1.085 1
74 1 13 1 "RMS(OBS, PRED)" CA 59 1.224 1
75 1 13 1 "RMS(OBS, PRED)" CB 57 0.999 1
76 1 13 1 "RMS(OBS, PRED)" H 53 0.479 1
77 1 13 1 "RMS(OBS, PRED)" HA 60 0.246 1
78 1 13 1 "RMS(OBS, PRED)" N 53 2.160 1
79 1 14 1 "RMS(OBS, PRED)" C 57 1.035 1
80 1 14 1 "RMS(OBS, PRED)" CA 59 1.005 1
81 1 14 1 "RMS(OBS, PRED)" CB 57 1.053 1
82 1 14 1 "RMS(OBS, PRED)" H 53 0.526 1
83 1 14 1 "RMS(OBS, PRED)" HA 60 0.252 1
84 1 14 1 "RMS(OBS, PRED)" N 53 2.180 1
85 1 15 1 "RMS(OBS, PRED)" C 57 1.109 1
86 1 15 1 "RMS(OBS, PRED)" CA 59 1.171 1
87 1 15 1 "RMS(OBS, PRED)" CB 57 1.117 1
88 1 15 1 "RMS(OBS, PRED)" H 53 0.519 1
89 1 15 1 "RMS(OBS, PRED)" HA 60 0.288 1
90 1 15 1 "RMS(OBS, PRED)" N 53 2.273 1
91 1 16 1 "RMS(OBS, PRED)" C 57 1.087 1
92 1 16 1 "RMS(OBS, PRED)" CA 59 1.296 1
93 1 16 1 "RMS(OBS, PRED)" CB 57 1.003 1
94 1 16 1 "RMS(OBS, PRED)" H 53 0.454 1
95 1 16 1 "RMS(OBS, PRED)" HA 60 0.236 1
96 1 16 1 "RMS(OBS, PRED)" N 53 2.160 1
97 1 17 1 "RMS(OBS, PRED)" C 57 1.091 1
98 1 17 1 "RMS(OBS, PRED)" CA 59 1.220 1
99 1 17 1 "RMS(OBS, PRED)" CB 57 0.969 1
100 1 17 1 "RMS(OBS, PRED)" H 53 0.544 1
101 1 17 1 "RMS(OBS, PRED)" HA 60 0.234 1
102 1 17 1 "RMS(OBS, PRED)" N 53 2.331 1
103 1 18 1 "RMS(OBS, PRED)" C 57 1.024 1
104 1 18 1 "RMS(OBS, PRED)" CA 59 1.101 1
105 1 18 1 "RMS(OBS, PRED)" CB 57 1.085 1
106 1 18 1 "RMS(OBS, PRED)" H 53 0.456 1
107 1 18 1 "RMS(OBS, PRED)" HA 60 0.240 1
108 1 18 1 "RMS(OBS, PRED)" N 53 2.223 1
109 1 19 1 "RMS(OBS, PRED)" C 57 0.963 1
110 1 19 1 "RMS(OBS, PRED)" CA 59 1.056 1
111 1 19 1 "RMS(OBS, PRED)" CB 57 0.996 1
112 1 19 1 "RMS(OBS, PRED)" H 53 0.488 1
113 1 19 1 "RMS(OBS, PRED)" HA 60 0.252 1
114 1 19 1 "RMS(OBS, PRED)" N 53 2.139 1
115 1 20 1 "RMS(OBS, PRED)" C 57 1.015 1
116 1 20 1 "RMS(OBS, PRED)" CA 59 1.354 1
117 1 20 1 "RMS(OBS, PRED)" CB 57 0.865 1
118 1 20 1 "RMS(OBS, PRED)" H 53 0.513 1
119 1 20 1 "RMS(OBS, PRED)" HA 60 0.245 1
120 1 20 1 "RMS(OBS, PRED)" N 53 2.275 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 10 10 HIS HA H 10 4.605 4.839 -0.234 2
1 5 . 1 1 A 10 10 HIS CA C 10 56.397 55.854 0.543 2
1 6 . 1 1 A 10 10 HIS CB C 10 29.857 31.583 -1.726 2
1 8 . 1 1 A 12 12 THR HA H 12 4.305 4.602 -0.297 2
1 13 . 1 1 A 12 12 THR C C 12 173.925 173.839 0.086 2
1 14 . 1 1 A 12 12 THR CA C 12 62.068 62.359 -0.291 2
1 15 . 1 1 A 12 12 THR CB C 12 69.817 70.741 -0.924 2
1 17 . 1 1 A 13 13 ILE H H 13 8.188 8.495 -0.307 2
1 18 . 1 1 A 13 13 ILE HA H 13 4.139 4.328 -0.189 2
1 28 . 1 1 A 13 13 ILE C C 13 175.795 175.239 0.556 2
1 29 . 1 1 A 13 13 ILE CA C 13 61.202 61.464 -0.262 2
1 30 . 1 1 A 13 13 ILE CB C 13 38.686 39.383 -0.697 2
1 34 . 1 1 A 13 13 ILE N N 13 123.673 125.830 -2.157 2
1 35 . 1 1 A 14 14 PHE H H 14 8.178 8.685 -0.507 2
1 36 . 1 1 A 14 14 PHE HA H 14 4.977 5.044 -0.067 2
1 44 . 1 1 A 14 14 PHE C C 14 176.475 175.696 0.779 2
1 45 . 1 1 A 14 14 PHE CA C 14 57.025 57.194 -0.169 2
1 46 . 1 1 A 14 14 PHE CB C 14 41.482 41.538 -0.056 2
1 52 . 1 1 A 14 14 PHE N N 14 122.586 123.922 -1.336 2
1 53 . 1 1 A 15 15 THR H H 15 8.792 8.845 -0.053 2
1 54 . 1 1 A 15 15 THR HA H 15 4.462 4.687 -0.225 2
1 59 . 1 1 A 15 15 THR C C 15 175.261 175.625 -0.364 2
1 60 . 1 1 A 15 15 THR CA C 15 60.623 60.523 0.100 2
1 61 . 1 1 A 15 15 THR CB C 15 70.645 71.026 -0.381 2
1 63 . 1 1 A 15 15 THR N N 15 113.201 114.349 -1.148 2
1 64 . 1 1 A 16 16 ASP H H 16 9.018 9.118 -0.100 2
1 65 . 1 1 A 16 16 ASP HA H 16 4.371 4.310 0.061 2
1 68 . 1 1 A 16 16 ASP C C 16 178.806 178.269 0.537 2
1 69 . 1 1 A 16 16 ASP CA C 16 58.163 57.589 0.574 2
1 70 . 1 1 A 16 16 ASP CB C 16 39.689 40.173 -0.484 2
1 71 . 1 1 A 16 16 ASP N N 16 121.802 122.841 -1.039 2
1 72 . 1 1 A 17 17 GLU H H 17 8.785 8.296 0.489 2
1 73 . 1 1 A 17 17 GLU HA H 17 4.054 3.961 0.093 2
1 78 . 1 1 A 17 17 GLU C C 17 180.044 178.965 1.079 2
1 79 . 1 1 A 17 17 GLU CA C 17 59.706 59.731 -0.025 2
1 80 . 1 1 A 17 17 GLU CB C 17 29.520 29.118 0.402 2
1 82 . 1 1 A 17 17 GLU N N 17 119.474 119.554 -0.080 2
1 83 . 1 1 A 18 18 GLN H H 18 7.700 7.856 -0.156 2
1 84 . 1 1 A 18 18 GLN HA H 18 3.665 3.788 -0.122 2
1 91 . 1 1 A 18 18 GLN C C 18 177.009 178.756 -1.747 2
1 92 . 1 1 A 18 18 GLN CA C 18 59.354 59.079 0.275 2
1 93 . 1 1 A 18 18 GLN CB C 18 27.377 28.142 -0.765 2
1 95 . 1 1 A 18 18 GLN N N 18 119.784 118.857 0.927 2
1 97 . 1 1 A 19 19 LEU H H 19 8.383 8.305 0.078 2
1 98 . 1 1 A 19 19 LEU HA H 19 3.585 3.590 -0.005 2
1 108 . 1 1 A 19 19 LEU C C 19 178.830 178.578 0.252 2
1 109 . 1 1 A 19 19 LEU CA C 19 57.908 57.769 0.139 2
1 110 . 1 1 A 19 19 LEU CB C 19 41.703 41.191 0.512 2
1 114 . 1 1 A 19 19 LEU N N 19 117.889 119.618 -1.729 2
1 115 . 1 1 A 20 20 GLU H H 20 8.119 8.678 -0.559 2
1 116 . 1 1 A 20 20 GLU HA H 20 3.897 3.918 -0.021 2
1 121 . 1 1 A 20 20 GLU C C 20 178.126 178.493 -0.367 2
1 122 . 1 1 A 20 20 GLU CA C 20 59.248 59.568 -0.320 2
1 123 . 1 1 A 20 20 GLU CB C 20 29.697 29.383 0.314 2
1 125 . 1 1 A 20 20 GLU N N 20 118.697 119.810 -1.113 2
1 126 . 1 1 A 21 21 ALA H H 21 7.309 7.714 -0.405 2
1 127 . 1 1 A 21 21 ALA HA H 21 4.057 4.059 -0.002 2
1 131 . 1 1 A 21 21 ALA C C 21 180.773 179.803 0.970 2
1 132 . 1 1 A 21 21 ALA CA C 21 54.947 55.116 -0.169 2
1 133 . 1 1 A 21 21 ALA CB C 21 18.888 18.477 0.411 2
1 134 . 1 1 A 21 21 ALA N N 21 120.540 121.377 -0.837 2
1 135 . 1 1 A 22 22 LEU H H 22 8.070 7.978 0.092 2
1 136 . 1 1 A 22 22 LEU HA H 22 3.428 3.768 -0.340 2
1 146 . 1 1 A 22 22 LEU C C 22 177.131 179.050 -1.919 2
1 147 . 1 1 A 22 22 LEU CA C 22 58.408 57.762 0.646 2
1 148 . 1 1 A 22 22 LEU CB C 22 38.173 40.535 -2.362 2
1 152 . 1 1 A 22 22 LEU N N 22 121.563 117.775 3.788 2
1 153 . 1 1 A 23 23 GLU H H 23 7.997 8.136 -0.139 2
1 154 . 1 1 A 23 23 GLU HA H 23 4.289 4.122 0.167 2
1 159 . 1 1 A 23 23 GLU C C 23 179.510 179.445 0.065 2
1 160 . 1 1 A 23 23 GLU CA C 23 58.734 59.829 -1.095 2
1 161 . 1 1 A 23 23 GLU CB C 23 28.879 29.346 -0.467 2
1 163 . 1 1 A 23 23 GLU N N 23 118.641 117.435 1.206 2
1 164 . 1 1 A 24 24 ASN H H 24 8.282 8.306 -0.024 2
1 165 . 1 1 A 24 24 ASN HA H 24 4.443 4.531 -0.088 2
1 170 . 1 1 A 24 24 ASN C C 24 178.563 177.941 0.622 2
1 171 . 1 1 A 24 24 ASN CA C 24 56.145 56.355 -0.210 2
1 172 . 1 1 A 24 24 ASN CB C 24 38.055 38.479 -0.424 2
1 173 . 1 1 A 24 24 ASN N N 24 117.495 118.276 -0.781 2
1 175 . 1 1 A 25 25 LEU H H 25 7.852 7.939 -0.087 2
1 176 . 1 1 A 25 25 LEU HA H 25 4.445 4.270 0.175 2
1 186 . 1 1 A 25 25 LEU C C 25 177.276 178.383 -1.107 2
1 187 . 1 1 A 25 25 LEU CA C 25 57.963 57.589 0.374 2
1 188 . 1 1 A 25 25 LEU CB C 25 40.400 42.186 -1.786 2
1 192 . 1 1 A 25 25 LEU N N 25 121.261 120.879 0.382 2
1 193 . 1 1 A 26 26 PHE H H 26 8.711 8.801 -0.090 2
1 194 . 1 1 A 26 26 PHE HA H 26 4.628 4.328 0.300 2
1 202 . 1 1 A 26 26 PHE C C 26 176.232 177.734 -1.502 2
1 203 . 1 1 A 26 26 PHE CA C 26 61.011 61.063 -0.052 2
1 204 . 1 1 A 26 26 PHE CB C 26 38.906 38.853 0.053 2
1 210 . 1 1 A 26 26 PHE N N 26 120.816 119.468 1.348 2
1 211 . 1 1 A 27 27 GLN H H 27 8.007 8.295 -0.288 2
1 212 . 1 1 A 27 27 GLN HA H 27 3.665 3.766 -0.101 2
1 219 . 1 1 A 27 27 GLN C C 27 177.106 178.555 -1.449 2
1 220 . 1 1 A 27 27 GLN CA C 27 57.892 59.344 -1.452 2
1 221 . 1 1 A 27 27 GLN CB C 27 28.195 28.616 -0.421 2
1 223 . 1 1 A 27 27 GLN N N 27 114.037 118.087 -4.050 2
1 225 . 1 1 A 28 28 GLU H H 28 7.467 8.338 -0.871 2
1 226 . 1 1 A 28 28 GLU HA H 28 4.190 4.153 0.037 2
1 231 . 1 1 A 28 28 GLU C C 28 177.106 176.135 0.971 2
1 232 . 1 1 A 28 28 GLU CA C 28 58.138 58.858 -0.720 2
1 233 . 1 1 A 28 28 GLU CB C 28 30.756 29.086 1.670 2
1 235 . 1 1 A 28 28 GLU N N 28 119.193 117.409 1.784 2
1 236 . 1 1 A 29 29 THR H H 29 8.971 7.924 1.047 2
1 237 . 1 1 A 29 29 THR HA H 29 4.321 4.641 -0.320 2
1 242 . 1 1 A 29 29 THR C C 29 170.526 173.968 -3.442 2
1 243 . 1 1 A 29 29 THR CA C 29 59.885 60.176 -0.291 2
1 244 . 1 1 A 29 29 THR CB C 29 69.656 70.957 -1.301 2
1 246 . 1 1 A 29 29 THR N N 29 116.904 113.412 3.492 2
1 247 . 1 1 A 30 30 LYS H H 30 7.942 8.511 -0.568 2
1 248 . 1 1 A 30 30 LYS HA H 30 3.765 3.777 -0.012 2
1 257 . 1 1 A 30 30 LYS C C 30 175.844 176.456 -0.612 2
1 258 . 1 1 A 30 30 LYS CA C 30 56.583 58.225 -1.642 2
1 259 . 1 1 A 30 30 LYS CB C 30 32.421 32.797 -0.376 2
1 263 . 1 1 A 30 30 LYS N N 30 123.132 126.411 -3.279 2
1 264 . 1 1 A 31 31 TYR H H 31 7.788 7.957 -0.169 2
1 265 . 1 1 A 31 31 TYR HA H 31 4.608 5.098 -0.490 2
1 272 . 1 1 A 31 31 TYR C C 31 172.687 173.287 -0.600 2
1 273 . 1 1 A 31 31 TYR CA C 31 54.864 54.637 0.227 2
1 274 . 1 1 A 31 31 TYR CB C 31 38.777 39.052 -0.275 2
1 279 . 1 1 A 31 31 TYR N N 31 113.626 117.000 -3.374 2
1 280 . 1 1 A 32 32 PRO HA H 32 4.399 4.601 -0.202 2
1 287 . 1 1 A 32 32 PRO C C 32 177.203 175.569 1.634 2
1 288 . 1 1 A 32 32 PRO CA C 32 62.668 62.412 0.256 2
1 289 . 1 1 A 32 32 PRO CB C 32 31.394 32.677 -1.283 2
1 292 . 1 1 A 33 33 ASP H H 33 8.548 8.498 0.050 2
1 293 . 1 1 A 33 33 ASP HA H 33 4.473 4.962 -0.489 2
1 296 . 1 1 A 33 33 ASP C C 33 175.989 177.119 -1.130 2
1 297 . 1 1 A 33 33 ASP CA C 33 52.775 52.827 -0.052 2
1 298 . 1 1 A 33 33 ASP CB C 33 41.295 42.779 -1.484 2
1 299 . 1 1 A 33 33 ASP N N 33 123.152 120.745 2.407 2
1 300 . 1 1 A 34 34 VAL H H 34 8.493 8.556 -0.063 2
1 301 . 1 1 A 34 34 VAL HA H 34 3.522 3.776 -0.254 2
1 309 . 1 1 A 34 34 VAL C C 34 177.203 178.020 -0.817 2
1 310 . 1 1 A 34 34 VAL CA C 34 66.618 65.765 0.853 2
1 311 . 1 1 A 34 34 VAL CB C 34 31.697 31.652 0.045 2
1 314 . 1 1 A 34 34 VAL N N 34 119.474 124.157 -4.683 2
1 315 . 1 1 A 35 35 GLY H H 35 8.389 8.184 0.205 2
1 316 . 1 1 A 35 35 GLY HA2 H 35 3.901 3.779 0.122 2
1 317 . 1 1 A 35 35 GLY HA3 H 35 3.901 3.781 0.120 2
1 318 . 1 1 A 35 35 GLY C C 35 176.985 176.344 0.641 2
1 319 . 1 1 A 35 35 GLY CA C 35 46.976 47.483 -0.507 2
1 320 . 1 1 A 35 35 GLY N N 35 109.478 108.778 0.700 2
1 321 . 1 1 A 36 36 THR H H 36 8.142 7.931 0.211 2
1 322 . 1 1 A 36 36 THR HA H 36 3.918 4.029 -0.111 2
1 327 . 1 1 A 36 36 THR C C 36 177.616 176.621 0.995 2
1 328 . 1 1 A 36 36 THR CA C 36 66.957 66.148 0.809 2
1 329 . 1 1 A 36 36 THR CB C 36 67.887 68.296 -0.409 2
1 331 . 1 1 A 36 36 THR N N 36 121.210 117.735 3.475 2
1 332 . 1 1 A 37 37 ARG H H 37 8.396 8.270 0.126 2
1 333 . 1 1 A 37 37 ARG HA H 37 3.712 3.924 -0.212 2
1 341 . 1 1 A 37 37 ARG C C 37 177.980 179.177 -1.197 2
1 342 . 1 1 A 37 37 ARG CA C 37 61.187 59.730 1.457 2
1 343 . 1 1 A 37 37 ARG CB C 37 31.250 30.099 1.151 2
1 346 . 1 1 A 37 37 ARG N N 37 121.196 120.353 0.843 2
1 348 . 1 1 A 38 38 GLU H H 38 8.843 8.397 0.446 2
1 349 . 1 1 A 38 38 GLU HA H 38 3.905 4.017 -0.112 2
1 354 . 1 1 A 38 38 GLU C C 38 178.636 179.123 -0.487 2
1 355 . 1 1 A 38 38 GLU CA C 38 59.797 59.129 0.668 2
1 356 . 1 1 A 38 38 GLU CB C 38 29.529 29.143 0.386 2
1 358 . 1 1 A 38 38 GLU N N 38 119.875 119.518 0.357 2
1 359 . 1 1 A 39 39 GLN H H 39 7.939 7.569 0.370 2
1 360 . 1 1 A 39 39 GLN HA H 39 3.977 3.970 0.007 2
1 367 . 1 1 A 39 39 GLN C C 39 178.782 177.945 0.837 2
1 368 . 1 1 A 39 39 GLN CA C 39 59.078 58.935 0.143 2
1 369 . 1 1 A 39 39 GLN CB C 39 28.426 28.399 0.027 2
1 371 . 1 1 A 39 39 GLN N N 39 118.456 118.870 -0.414 2
1 373 . 1 1 A 40 40 LEU H H 40 7.515 8.408 -0.892 2
1 374 . 1 1 A 40 40 LEU HA H 40 4.129 4.026 0.103 2
1 384 . 1 1 A 40 40 LEU C C 40 178.150 178.202 -0.052 2
1 385 . 1 1 A 40 40 LEU CA C 40 58.273 58.216 0.057 2
1 386 . 1 1 A 40 40 LEU CB C 40 41.194 41.463 -0.269 2
1 390 . 1 1 A 40 40 LEU N N 40 121.414 122.156 -0.742 2
1 391 . 1 1 A 41 41 ALA H H 41 8.577 8.633 -0.056 2
1 392 . 1 1 A 41 41 ALA HA H 41 3.650 4.046 -0.396 2
1 396 . 1 1 A 41 41 ALA C C 41 179.559 180.268 -0.709 2
1 397 . 1 1 A 41 41 ALA CA C 41 55.925 55.517 0.408 2
1 398 . 1 1 A 41 41 ALA CB C 41 17.487 18.585 -1.098 2
1 399 . 1 1 A 41 41 ALA N N 41 121.362 120.963 0.399 2
1 400 . 1 1 A 42 42 ARG H H 42 7.986 7.803 0.183 2
1 401 . 1 1 A 42 42 ARG HA H 42 4.083 4.010 0.073 2
1 408 . 1 1 A 42 42 ARG C C 42 179.000 178.650 0.350 2
1 409 . 1 1 A 42 42 ARG CA C 42 58.578 59.626 -1.048 2
1 410 . 1 1 A 42 42 ARG CB C 42 30.495 29.982 0.513 2
1 413 . 1 1 A 42 42 ARG N N 42 114.579 117.583 -3.004 2
1 414 . 1 1 A 43 43 LYS H H 43 7.706 7.864 -0.158 2
1 415 . 1 1 A 43 43 LYS HA H 43 4.023 4.059 -0.036 2
1 424 . 1 1 A 43 43 LYS C C 43 178.248 178.457 -0.209 2
1 425 . 1 1 A 43 43 LYS CA C 43 59.177 58.939 0.238 2
1 426 . 1 1 A 43 43 LYS CB C 43 33.134 32.436 0.698 2
1 430 . 1 1 A 43 43 LYS N N 43 119.896 120.146 -0.250 2
1 431 . 1 1 A 44 44 VAL H H 44 7.681 7.742 -0.061 2
1 432 . 1 1 A 44 44 VAL HA H 44 4.522 4.325 0.197 2
1 440 . 1 1 A 44 44 VAL C C 44 174.654 174.882 -0.228 2
1 441 . 1 1 A 44 44 VAL CA C 44 59.912 61.369 -1.457 2
1 442 . 1 1 A 44 44 VAL CB C 44 30.979 31.537 -0.558 2
1 445 . 1 1 A 44 44 VAL N N 44 105.042 110.510 -5.468 2
1 446 . 1 1 A 45 45 HIS H H 45 7.398 7.730 -0.332 2
1 447 . 1 1 A 45 45 HIS HA H 45 4.293 4.179 0.114 2
1 451 . 1 1 A 45 45 HIS C C 45 174.144 173.944 0.200 2
1 452 . 1 1 A 45 45 HIS CA C 45 56.956 56.647 0.309 2
1 453 . 1 1 A 45 45 HIS CB C 45 26.353 26.603 -0.250 2
1 455 . 1 1 A 45 45 HIS N N 45 117.892 116.063 1.829 2
1 456 . 1 1 A 46 46 LEU H H 46 8.571 7.908 0.663 2
1 457 . 1 1 A 46 46 LEU HA H 46 4.855 4.912 -0.056 2
1 467 . 1 1 A 46 46 LEU C C 46 176.256 175.276 0.980 2
1 468 . 1 1 A 46 46 LEU CA C 46 52.689 53.440 -0.751 2
1 469 . 1 1 A 46 46 LEU CB C 46 47.746 45.836 1.910 2
1 473 . 1 1 A 46 46 LEU N N 46 119.288 118.680 0.608 2
1 474 . 1 1 A 47 47 ARG H H 47 7.979 8.786 -0.807 2
1 475 . 1 1 A 47 47 ARG HA H 47 4.439 4.480 -0.041 2
1 482 . 1 1 A 47 47 ARG C C 47 178.830 177.489 1.341 2
1 483 . 1 1 A 47 47 ARG CA C 47 55.871 55.279 0.592 2
1 484 . 1 1 A 47 47 ARG CB C 47 30.838 31.688 -0.850 2
1 487 . 1 1 A 47 47 ARG N N 47 119.085 120.286 -1.201 2
1 488 . 1 1 A 48 48 GLU H H 48 9.642 8.937 0.705 2
1 489 . 1 1 A 48 48 GLU HA H 48 3.644 3.914 -0.270 2
1 494 . 1 1 A 48 48 GLU C C 48 178.515 178.340 0.175 2
1 495 . 1 1 A 48 48 GLU CA C 48 61.612 59.950 1.662 2
1 496 . 1 1 A 48 48 GLU CB C 48 28.860 29.435 -0.575 2
1 498 . 1 1 A 48 48 GLU N N 48 125.963 123.811 2.152 2
1 499 . 1 1 A 49 49 GLU H H 49 9.638 8.367 1.271 2
1 500 . 1 1 A 49 49 GLU HA H 49 4.239 4.064 0.175 2
1 505 . 1 1 A 49 49 GLU C C 49 178.927 179.062 -0.135 2
1 506 . 1 1 A 49 49 GLU CA C 49 59.681 59.424 0.257 2
1 507 . 1 1 A 49 49 GLU CB C 49 28.531 29.349 -0.818 2
1 509 . 1 1 A 49 49 GLU N N 49 118.929 118.534 0.395 2
1 510 . 1 1 A 50 50 LYS H H 50 7.398 7.872 -0.474 2
1 511 . 1 1 A 50 50 LYS HA H 50 4.318 4.134 0.184 2
1 520 . 1 1 A 50 50 LYS C C 50 179.486 179.294 0.192 2
1 521 . 1 1 A 50 50 LYS CA C 50 58.084 59.487 -1.403 2
1 522 . 1 1 A 50 50 LYS CB C 50 32.487 32.518 -0.031 2
1 526 . 1 1 A 50 50 LYS N N 50 117.569 119.681 -2.112 2
1 527 . 1 1 A 51 51 VAL H H 51 7.614 8.050 -0.436 2
1 528 . 1 1 A 51 51 VAL HA H 51 3.739 3.586 0.153 2
1 536 . 1 1 A 51 51 VAL C C 51 177.641 178.059 -0.418 2
1 537 . 1 1 A 51 51 VAL CA C 51 66.900 67.052 -0.152 2
1 538 . 1 1 A 51 51 VAL CB C 51 31.876 31.425 0.451 2
1 541 . 1 1 A 51 51 VAL N N 51 120.291 120.364 -0.073 2
1 542 . 1 1 A 52 52 GLU H H 52 8.274 7.863 0.411 2
1 543 . 1 1 A 52 52 GLU HA H 52 4.198 3.892 0.307 2
1 547 . 1 1 A 52 52 GLU C C 52 179.073 178.658 0.415 2
1 548 . 1 1 A 52 52 GLU CA C 52 60.434 59.362 1.072 2
1 549 . 1 1 A 52 52 GLU CB C 52 29.073 29.598 -0.525 2
1 551 . 1 1 A 52 52 GLU N N 52 120.105 120.310 -0.205 2
1 552 . 1 1 A 53 53 VAL H H 53 7.936 7.907 0.029 2
1 553 . 1 1 A 53 53 VAL HA H 53 3.692 3.722 -0.030 2
1 561 . 1 1 A 53 53 VAL C C 53 177.592 178.227 -0.635 2
1 562 . 1 1 A 53 53 VAL CA C 53 66.935 66.612 0.323 2
1 563 . 1 1 A 53 53 VAL CB C 53 32.273 31.773 0.500 2
1 566 . 1 1 A 53 53 VAL N N 53 119.238 119.453 -0.215 2
1 567 . 1 1 A 54 54 TRP H H 54 8.321 8.194 0.127 2
1 568 . 1 1 A 54 54 TRP HA H 54 4.083 4.207 -0.124 2
1 577 . 1 1 A 54 54 TRP C C 54 179.802 178.224 1.578 2
1 578 . 1 1 A 54 54 TRP CA C 54 63.129 61.312 1.817 2
1 579 . 1 1 A 54 54 TRP CB C 54 28.635 29.679 -1.044 2
1 585 . 1 1 A 54 54 TRP N N 54 121.382 121.358 0.024 2
1 587 . 1 1 A 55 55 PHE H H 55 8.834 8.272 0.562 2
1 588 . 1 1 A 55 55 PHE HA H 55 3.676 3.917 -0.241 2
1 596 . 1 1 A 55 55 PHE C C 55 178.150 178.105 0.045 2
1 597 . 1 1 A 55 55 PHE CA C 55 64.096 61.755 2.341 2
1 598 . 1 1 A 55 55 PHE CB C 55 39.358 38.748 0.610 2
1 604 . 1 1 A 55 55 PHE N N 55 118.755 117.995 0.760 2
1 605 . 1 1 A 56 56 LYS H H 56 8.241 8.123 0.118 2
1 606 . 1 1 A 56 56 LYS HA H 56 3.977 3.931 0.046 2
1 612 . 1 1 A 56 56 LYS C C 56 180.166 179.502 0.664 2
1 613 . 1 1 A 56 56 LYS CA C 56 60.744 59.376 1.368 2
1 614 . 1 1 A 56 56 LYS CB C 56 32.322 32.369 -0.047 2
1 618 . 1 1 A 56 56 LYS N N 56 120.065 118.378 1.687 2
1 619 . 1 1 A 57 57 ASN H H 57 8.084 8.211 -0.127 2
1 620 . 1 1 A 57 57 ASN HA H 57 4.367 4.370 -0.003 2
1 625 . 1 1 A 57 57 ASN C C 57 177.422 177.844 -0.422 2
1 626 . 1 1 A 57 57 ASN CA C 57 55.660 56.211 -0.551 2
1 627 . 1 1 A 57 57 ASN CB C 57 38.008 37.786 0.222 2
1 628 . 1 1 A 57 57 ASN N N 57 118.967 118.122 0.845 2
1 630 . 1 1 A 58 58 ARG H H 58 8.575 7.657 0.917 2
1 631 . 1 1 A 58 58 ARG HA H 58 3.463 3.593 -0.130 2
1 639 . 1 1 A 58 58 ARG C C 58 180.044 178.505 1.539 2
1 640 . 1 1 A 58 58 ARG CA C 58 56.568 59.228 -2.660 2
1 641 . 1 1 A 58 58 ARG CB C 58 28.155 29.065 -0.910 2
1 644 . 1 1 A 58 58 ARG N N 58 124.441 119.249 5.192 2
1 646 . 1 1 A 59 59 ARG H H 59 8.490 7.882 0.608 2
1 647 . 1 1 A 59 59 ARG HA H 59 4.334 4.185 0.149 2
1 653 . 1 1 A 59 59 ARG C C 59 178.223 178.621 -0.398 2
1 654 . 1 1 A 59 59 ARG CA C 59 60.699 59.477 1.222 2
1 655 . 1 1 A 59 59 ARG CB C 59 31.905 30.058 1.847 2
1 658 . 1 1 A 59 59 ARG N N 59 118.847 119.249 -0.402 2
1 659 . 1 1 A 60 60 ALA H H 60 7.459 7.950 -0.491 2
1 660 . 1 1 A 60 60 ALA HA H 60 4.225 4.139 0.086 2
1 664 . 1 1 A 60 60 ALA C C 60 179.680 179.592 0.088 2
1 665 . 1 1 A 60 60 ALA CA C 60 55.051 55.117 -0.065 2
1 666 . 1 1 A 60 60 ALA CB C 60 17.817 18.484 -0.667 2
1 667 . 1 1 A 60 60 ALA N N 60 121.387 121.513 -0.126 2
1 668 . 1 1 A 61 61 LYS H H 61 7.452 7.928 -0.476 2
1 669 . 1 1 A 61 61 LYS HA H 61 4.042 4.073 -0.031 2
1 676 . 1 1 A 61 61 LYS C C 61 178.078 178.670 -0.592 2
1 677 . 1 1 A 61 61 LYS CA C 61 58.472 59.132 -0.660 2
1 678 . 1 1 A 61 61 LYS CB C 61 32.734 32.212 0.522 2
1 682 . 1 1 A 61 61 LYS N N 61 118.087 118.013 0.074 2
1 683 . 1 1 A 62 62 TRP H H 62 8.008 8.171 -0.163 2
1 684 . 1 1 A 62 62 TRP HA H 62 4.632 4.269 0.363 2
1 693 . 1 1 A 62 62 TRP C C 62 177.471 178.335 -0.864 2
1 694 . 1 1 A 62 62 TRP CA C 62 59.120 60.804 -1.684 2
1 695 . 1 1 A 62 62 TRP CB C 62 29.366 29.857 -0.491 2
1 701 . 1 1 A 62 62 TRP N N 62 121.749 121.937 -0.188 2
1 703 . 1 1 A 63 63 ARG H H 63 8.286 8.498 -0.212 2
1 704 . 1 1 A 63 63 ARG HA H 63 3.736 3.412 0.324 2
1 711 . 1 1 A 63 63 ARG C C 63 176.888 178.318 -1.430 2
1 712 . 1 1 A 63 63 ARG CA C 63 57.385 58.633 -1.248 2
1 713 . 1 1 A 63 63 ARG CB C 63 30.726 30.055 0.671 2
1 716 . 1 1 A 63 63 ARG N N 63 119.622 119.055 0.567 2
1 717 . 1 1 A 64 64 ARG H H 64 7.670 7.909 -0.239 2
1 718 . 1 1 A 64 64 ARG HA H 64 4.196 4.053 0.143 2
1 723 . 1 1 A 64 64 ARG C C 64 176.645 176.920 -0.275 2
1 724 . 1 1 A 64 64 ARG CA C 64 56.956 58.987 -2.031 2
1 725 . 1 1 A 64 64 ARG CB C 64 30.369 30.100 0.269 2
1 728 . 1 1 A 64 64 ARG N N 64 119.096 119.884 -0.788 2
1 729 . 1 1 A 65 65 SER H H 65 7.962 7.923 0.039 2
1 730 . 1 1 A 65 65 SER HA H 65 4.474 4.450 0.024 2
1 733 . 1 1 A 65 65 SER C C 65 174.435 174.329 0.106 2
1 734 . 1 1 A 65 65 SER CA C 65 58.837 58.998 -0.161 2
1 735 . 1 1 A 65 65 SER CB C 65 63.947 63.989 -0.042 2
1 736 . 1 1 A 65 65 SER N N 65 115.352 113.817 1.535 2
1 737 . 1 1 A 66 66 GLY H H 66 8.031 8.178 -0.147 2
1 738 . 1 1 A 66 66 GLY HA2 H 66 4.068 3.972 0.096 2
1 739 . 1 1 A 66 66 GLY C C 66 171.813 173.306 -1.493 2
1 740 . 1 1 A 66 66 GLY CA C 66 44.800 44.838 -0.038 2
1 741 . 1 1 A 66 66 GLY N N 66 110.503 110.381 0.122 2
1 742 . 1 1 A 67 67 PRO HA H 67 4.456 4.507 -0.051 2
1 747 . 1 1 A 67 67 PRO CA C 67 63.352 63.197 0.155 2
1 748 . 1 1 A 67 67 PRO CB C 67 32.167 32.038 0.129 2
1 751 . 1 1 A 68 68 SER HA H 68 4.457 4.407 0.050 2
1 754 . 1 1 A 68 68 SER C C 68 174.654 174.659 -0.005 2
1 755 . 1 1 A 68 68 SER CA C 68 58.612 59.515 -0.903 2
1 756 . 1 1 A 68 68 SER CB C 68 63.845 63.743 0.102 2
1 757 . 1 1 A 69 69 SER HA H 69 4.491 4.506 -0.015 2
1 760 . 1 1 A 69 69 SER C C 69 173.925 174.810 -0.885 2
1 761 . 1 1 A 69 69 SER CA C 69 58.423 59.102 -0.679 2
1 762 . 1 1 A 69 69 SER CB C 69 63.969 63.947 0.022 2
stop_
save_