data_10256_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10256
_Entry.PDB_ID 2COF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.952 4.008 -0.056 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.952 4.009 -0.057 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.197 174.663 -0.466 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.378 46.431 -1.053 1
1 5 . 1 1 1 A 8 8 LEU H H 8 8.030 7.928 0.102 1
1 6 . 1 1 1 A 8 8 LEU HA H 8 4.321 4.197 0.124 1
1 16 . 1 1 1 A 8 8 LEU C C 8 177.468 176.532 0.936 1
1 17 . 1 1 1 A 8 8 LEU CA C 8 55.320 57.032 -1.712 1
1 18 . 1 1 1 A 8 8 LEU CB C 8 42.556 42.823 -0.267 1
1 22 . 1 1 1 A 8 8 LEU N N 8 121.494 121.524 -0.030 1
1 23 . 1 1 1 A 9 9 GLU H H 9 8.577 8.037 0.540 1
1 24 . 1 1 1 A 9 9 GLU HA H 9 4.454 3.937 0.517 1
1 29 . 1 1 1 A 9 9 GLU C C 9 177.056 176.397 0.659 1
1 30 . 1 1 1 A 9 9 GLU CA C 9 56.956 57.843 -0.887 1
1 31 . 1 1 1 A 9 9 GLU CB C 9 30.237 27.883 2.354 1
1 33 . 1 1 1 A 9 9 GLU N N 9 121.449 117.756 3.693 1
1 34 . 1 1 1 A 10 10 THR H H 10 8.189 8.570 -0.381 1
1 35 . 1 1 1 A 10 10 THR HA H 10 4.323 3.947 0.376 1
1 40 . 1 1 1 A 10 10 THR CA C 10 62.062 62.968 -0.906 1
1 41 . 1 1 1 A 10 10 THR CB C 10 69.441 66.623 2.818 1
1 43 . 1 1 1 A 10 10 THR N N 10 113.730 111.440 2.290 1
1 44 . 1 1 1 A 11 11 SER H H 11 7.883 8.099 -0.216 1
1 45 . 1 1 1 A 11 11 SER HA H 11 5.249 4.866 0.383 1
1 48 . 1 1 1 A 11 11 SER CA C 11 57.852 56.808 1.044 1
1 49 . 1 1 1 A 11 11 SER CB C 11 65.426 63.555 1.871 1
1 50 . 1 1 1 A 12 12 SER H H 12 8.413 7.584 0.829 1
1 51 . 1 1 1 A 12 12 SER HA H 12 4.467 4.362 0.105 1
1 54 . 1 1 1 A 12 12 SER CA C 12 58.741 58.376 0.365 1
1 55 . 1 1 1 A 12 12 SER CB C 12 65.239 64.556 0.683 1
1 56 . 1 1 1 A 12 12 SER N N 12 116.995 118.602 -1.607 1
1 57 . 1 1 1 A 13 13 TYR H H 13 8.156 8.481 -0.325 1
1 58 . 1 1 1 A 13 13 TYR HA H 13 4.936 4.622 0.314 1
1 65 . 1 1 1 A 13 13 TYR CA C 13 58.533 58.363 0.170 1
1 68 . 1 1 1 A 13 13 TYR N N 13 121.972 122.046 -0.074 1
1 69 . 1 1 1 A 14 14 LEU H H 14 8.803 8.381 0.422 1
1 70 . 1 1 1 A 14 14 LEU HA H 14 4.573 4.956 -0.383 1
1 80 . 1 1 1 A 14 14 LEU C C 14 175.845 175.323 0.522 1
1 81 . 1 1 1 A 14 14 LEU CA C 14 54.141 53.658 0.483 1
1 82 . 1 1 1 A 14 14 LEU CB C 14 46.603 45.703 0.900 1
1 86 . 1 1 1 A 14 14 LEU N N 14 123.967 124.126 -0.159 1
1 87 . 1 1 1 A 15 15 ASN H H 15 8.090 8.740 -0.650 1
1 88 . 1 1 1 A 15 15 ASN HA H 15 5.669 5.082 0.587 1
1 93 . 1 1 1 A 15 15 ASN C C 15 174.972 174.053 0.919 1
1 94 . 1 1 1 A 15 15 ASN CA C 15 51.589 52.762 -1.173 1
1 95 . 1 1 1 A 15 15 ASN CB C 15 40.317 39.408 0.909 1
1 96 . 1 1 1 A 15 15 ASN N N 15 117.248 120.152 -2.904 1
1 98 . 1 1 1 A 16 16 VAL H H 16 9.452 8.374 1.078 1
1 99 . 1 1 1 A 16 16 VAL HA H 16 4.743 4.587 0.156 1
1 107 . 1 1 1 A 16 16 VAL C C 16 174.269 176.190 -1.921 1
1 108 . 1 1 1 A 16 16 VAL CA C 16 60.574 62.026 -1.452 1
1 109 . 1 1 1 A 16 16 VAL CB C 16 35.194 31.986 3.208 1
1 112 . 1 1 1 A 16 16 VAL N N 16 122.909 125.250 -2.341 1
1 113 . 1 1 1 A 17 17 LEU H H 17 7.892 8.719 -0.827 1
1 114 . 1 1 1 A 17 17 LEU HA H 17 3.679 3.863 -0.184 1
1 124 . 1 1 1 A 17 17 LEU C C 17 175.747 175.153 0.594 1
1 125 . 1 1 1 A 17 17 LEU CA C 17 54.493 56.203 -1.710 1
1 126 . 1 1 1 A 17 17 LEU CB C 17 40.541 41.718 -1.177 1
1 130 . 1 1 1 A 17 17 LEU N N 17 130.093 131.085 -0.992 1
1 131 . 1 1 1 A 18 18 VAL H H 18 8.923 8.650 0.273 1
1 132 . 1 1 1 A 18 18 VAL HA H 18 4.053 4.316 -0.263 1
1 140 . 1 1 1 A 18 18 VAL C C 18 175.869 175.707 0.162 1
1 141 . 1 1 1 A 18 18 VAL CA C 18 61.285 61.240 0.045 1
1 142 . 1 1 1 A 18 18 VAL CB C 18 33.609 34.358 -0.749 1
1 145 . 1 1 1 A 18 18 VAL N N 18 130.417 127.933 2.484 1
1 146 . 1 1 1 A 19 19 ASN H H 19 9.323 9.381 -0.058 1
1 147 . 1 1 1 A 19 19 ASN HA H 19 4.232 4.308 -0.076 1
1 152 . 1 1 1 A 19 19 ASN C C 19 174.948 174.474 0.474 1
1 153 . 1 1 1 A 19 19 ASN CA C 19 54.809 54.580 0.229 1
1 154 . 1 1 1 A 19 19 ASN CB C 19 37.192 36.857 0.335 1
1 155 . 1 1 1 A 19 19 ASN N N 19 127.579 127.636 -0.057 1
1 157 . 1 1 1 A 20 20 SER H H 20 8.464 8.416 0.048 1
1 158 . 1 1 1 A 20 20 SER HA H 20 3.653 3.863 -0.210 1
1 161 . 1 1 1 A 20 20 SER C C 20 172.645 172.869 -0.224 1
1 162 . 1 1 1 A 20 20 SER CA C 20 60.458 59.661 0.797 1
1 163 . 1 1 1 A 20 20 SER CB C 20 62.584 61.034 1.550 1
1 164 . 1 1 1 A 20 20 SER N N 20 106.869 105.682 1.187 1
1 165 . 1 1 1 A 21 21 GLN H H 21 7.695 7.376 0.319 1
1 166 . 1 1 1 A 21 21 GLN HA H 21 4.591 4.596 -0.005 1
1 173 . 1 1 1 A 21 21 GLN C C 21 174.003 174.600 -0.597 1
1 174 . 1 1 1 A 21 21 GLN CA C 21 53.772 54.358 -0.586 1
1 175 . 1 1 1 A 21 21 GLN CB C 21 32.069 31.843 0.226 1
1 177 . 1 1 1 A 21 21 GLN N N 21 120.372 117.780 2.592 1
1 179 . 1 1 1 A 22 22 TRP H H 22 8.743 8.691 0.052 1
1 180 . 1 1 1 A 22 22 TRP HA H 22 4.690 4.871 -0.181 1
1 189 . 1 1 1 A 22 22 TRP C C 22 176.863 176.058 0.805 1
1 190 . 1 1 1 A 22 22 TRP CA C 22 57.062 57.393 -0.331 1
1 191 . 1 1 1 A 22 22 TRP CB C 22 29.323 29.071 0.252 1
1 197 . 1 1 1 A 22 22 TRP N N 22 124.919 124.456 0.463 1
1 199 . 1 1 1 A 23 23 LYS H H 23 9.302 8.891 0.411 1
1 200 . 1 1 1 A 23 23 LYS HA H 23 4.798 4.794 0.004 1
1 208 . 1 1 1 A 23 23 LYS C C 23 176.050 176.371 -0.321 1
1 209 . 1 1 1 A 23 23 LYS CA C 23 54.106 54.488 -0.382 1
1 210 . 1 1 1 A 23 23 LYS CB C 23 35.583 35.644 -0.061 1
1 214 . 1 1 1 A 23 23 LYS N N 23 124.474 125.615 -1.141 1
1 215 . 1 1 1 A 24 24 SER H H 24 8.740 8.691 0.049 1
1 216 . 1 1 1 A 24 24 SER HA H 24 5.035 4.466 0.569 1
1 219 . 1 1 1 A 24 24 SER C C 24 175.905 173.866 2.039 1
1 220 . 1 1 1 A 24 24 SER CA C 24 58.857 58.654 0.203 1
1 221 . 1 1 1 A 24 24 SER CB C 24 63.489 63.236 0.253 1
1 222 . 1 1 1 A 24 24 SER N N 24 118.568 119.160 -0.592 1
1 223 . 1 1 1 A 25 25 ARG H H 25 9.302 8.340 0.962 1
1 224 . 1 1 1 A 25 25 ARG HA H 25 4.946 4.958 -0.012 1
1 231 . 1 1 1 A 25 25 ARG C C 25 173.724 174.332 -0.608 1
1 232 . 1 1 1 A 25 25 ARG CA C 25 54.440 55.174 -0.734 1
1 233 . 1 1 1 A 25 25 ARG CB C 25 34.825 34.307 0.518 1
1 236 . 1 1 1 A 25 25 ARG N N 25 126.895 124.131 2.764 1
1 237 . 1 1 1 A 26 26 TRP H H 26 8.668 8.794 -0.126 1
1 238 . 1 1 1 A 26 26 TRP HA H 26 4.780 5.133 -0.353 1
1 247 . 1 1 1 A 26 26 TRP C C 26 175.796 174.937 0.859 1
1 248 . 1 1 1 A 26 26 TRP CA C 26 57.555 56.337 1.218 1
1 249 . 1 1 1 A 26 26 TRP CB C 26 29.833 30.626 -0.793 1
1 255 . 1 1 1 A 26 26 TRP N N 26 123.493 127.905 -4.412 1
1 257 . 1 1 1 A 27 27 CYS H H 27 8.884 9.279 -0.395 1
1 258 . 1 1 1 A 27 27 CYS HA H 27 5.668 5.216 0.452 1
1 261 . 1 1 1 A 27 27 CYS C C 27 174.560 173.968 0.592 1
1 262 . 1 1 1 A 27 27 CYS CA C 27 58.184 57.516 0.668 1
1 263 . 1 1 1 A 27 27 CYS CB C 27 31.516 29.021 2.495 1
1 264 . 1 1 1 A 27 27 CYS N N 27 124.947 127.754 -2.807 1
1 265 . 1 1 1 A 28 28 SER H H 28 8.566 9.210 -0.644 1
1 266 . 1 1 1 A 28 28 SER HA H 28 5.240 5.302 -0.062 1
1 269 . 1 1 1 A 28 28 SER C C 28 173.106 172.916 0.190 1
1 270 . 1 1 1 A 28 28 SER CA C 28 57.027 56.676 0.351 1
1 271 . 1 1 1 A 28 28 SER CB C 28 66.738 65.055 1.683 1
1 272 . 1 1 1 A 28 28 SER N N 28 114.751 120.126 -5.375 1
1 273 . 1 1 1 A 29 29 VAL H H 29 8.843 9.142 -0.299 1
1 274 . 1 1 1 A 29 29 VAL HA H 29 5.302 5.176 0.126 1
1 282 . 1 1 1 A 29 29 VAL C C 29 175.905 175.339 0.566 1
1 283 . 1 1 1 A 29 29 VAL CA C 29 61.233 61.691 -0.458 1
1 284 . 1 1 1 A 29 29 VAL CB C 29 32.832 33.034 -0.202 1
1 287 . 1 1 1 A 29 29 VAL N N 29 125.688 127.855 -2.167 1
1 288 . 1 1 1 A 30 30 ARG H H 30 8.964 9.331 -0.367 1
1 289 . 1 1 1 A 30 30 ARG HA H 30 4.620 4.544 0.076 1
1 295 . 1 1 1 A 30 30 ARG C C 30 176.160 175.350 0.810 1
1 296 . 1 1 1 A 30 30 ARG CA C 30 55.901 56.284 -0.383 1
1 297 . 1 1 1 A 30 30 ARG CB C 30 33.198 33.095 0.103 1
1 300 . 1 1 1 A 30 30 ARG N N 30 125.513 125.595 -0.082 1
1 301 . 1 1 1 A 31 31 ASP H H 31 9.773 9.686 0.087 1
1 302 . 1 1 1 A 31 31 ASP HA H 31 4.451 4.348 0.103 1
1 305 . 1 1 1 A 31 31 ASP C C 31 177.008 175.247 1.761 1
1 306 . 1 1 1 A 31 31 ASP CA C 31 55.936 55.240 0.696 1
1 307 . 1 1 1 A 31 31 ASP CB C 31 39.659 39.564 0.095 1
1 308 . 1 1 1 A 31 31 ASP N N 31 127.085 126.473 0.612 1
1 309 . 1 1 1 A 32 32 ASN H H 32 9.639 8.627 1.012 1
1 310 . 1 1 1 A 32 32 ASN HA H 32 4.535 4.337 0.198 1
1 315 . 1 1 1 A 32 32 ASN C C 32 172.766 173.805 -1.039 1
1 316 . 1 1 1 A 32 32 ASN CA C 32 55.549 54.708 0.841 1
1 317 . 1 1 1 A 32 32 ASN CB C 32 38.238 37.110 1.128 1
1 318 . 1 1 1 A 32 32 ASN N N 32 112.101 109.160 2.941 1
1 320 . 1 1 1 A 33 33 HIS H H 33 8.292 7.793 0.499 1
1 321 . 1 1 1 A 33 33 HIS HA H 33 5.368 5.603 -0.235 1
1 326 . 1 1 1 A 33 33 HIS C C 33 172.718 173.478 -0.760 1
1 327 . 1 1 1 A 33 33 HIS CA C 33 55.303 54.721 0.582 1
1 328 . 1 1 1 A 33 33 HIS CB C 33 32.851 34.404 -1.553 1
1 331 . 1 1 1 A 33 33 HIS N N 33 116.294 116.373 -0.079 1
1 332 . 1 1 1 A 34 34 LEU H H 34 8.987 9.043 -0.056 1
1 333 . 1 1 1 A 34 34 LEU HA H 34 4.784 5.045 -0.261 1
1 342 . 1 1 1 A 34 34 LEU C C 34 173.240 175.055 -1.815 1
1 343 . 1 1 1 A 34 34 LEU CA C 34 53.719 53.547 0.172 1
1 344 . 1 1 1 A 34 34 LEU CB C 34 45.147 44.021 1.126 1
1 348 . 1 1 1 A 34 34 LEU N N 34 122.961 125.350 -2.389 1
1 349 . 1 1 1 A 35 35 HIS H H 35 9.169 9.728 -0.559 1
1 350 . 1 1 1 A 35 35 HIS HA H 35 4.713 5.054 -0.341 1
1 355 . 1 1 1 A 35 35 HIS C C 35 174.778 174.972 -0.194 1
1 356 . 1 1 1 A 35 35 HIS CA C 35 55.284 56.127 -0.843 1
1 357 . 1 1 1 A 35 35 HIS CB C 35 34.455 31.263 3.192 1
1 360 . 1 1 1 A 35 35 HIS N N 35 125.201 126.210 -1.009 1
1 361 . 1 1 1 A 36 36 PHE H H 36 9.522 9.069 0.453 1
1 362 . 1 1 1 A 36 36 PHE HA H 36 5.014 5.367 -0.353 1
1 370 . 1 1 1 A 36 36 PHE C C 36 174.911 174.423 0.488 1
1 371 . 1 1 1 A 36 36 PHE CA C 36 56.217 56.075 0.142 1
1 372 . 1 1 1 A 36 36 PHE CB C 36 43.666 41.598 2.068 1
1 378 . 1 1 1 A 36 36 PHE N N 36 118.294 119.666 -1.372 1
1 379 . 1 1 1 A 37 37 TYR H H 37 9.783 9.293 0.490 1
1 380 . 1 1 1 A 37 37 TYR HA H 37 5.453 5.145 0.308 1
1 387 . 1 1 1 A 37 37 TYR C C 37 176.475 175.628 0.847 1
1 388 . 1 1 1 A 37 37 TYR CA C 37 57.185 56.450 0.735 1
1 389 . 1 1 1 A 37 37 TYR CB C 37 41.569 43.465 -1.896 1
1 394 . 1 1 1 A 37 37 TYR N N 37 121.241 121.185 0.056 1
1 395 . 1 1 1 A 38 38 GLN H H 38 9.233 8.453 0.780 1
1 396 . 1 1 1 A 38 38 GLN HA H 38 4.480 4.742 -0.262 1
1 403 . 1 1 1 A 38 38 GLN C C 38 175.408 175.968 -0.560 1
1 404 . 1 1 1 A 38 38 GLN CA C 38 57.977 56.883 1.094 1
1 405 . 1 1 1 A 38 38 GLN CB C 38 29.825 30.550 -0.725 1
1 407 . 1 1 1 A 38 38 GLN N N 38 119.348 120.607 -1.259 1
1 409 . 1 1 1 A 39 39 ASP H H 39 8.674 8.145 0.529 1
1 410 . 1 1 1 A 39 39 ASP HA H 39 4.849 4.879 -0.030 1
1 413 . 1 1 1 A 39 39 ASP CA C 39 52.402 54.173 -1.771 1
1 414 . 1 1 1 A 39 39 ASP CB C 39 43.525 41.782 1.743 1
1 415 . 1 1 1 A 40 40 ARG H H 40 7.823 8.605 -0.782 1
1 416 . 1 1 1 A 40 40 ARG HA H 40 2.342 4.502 -2.160 1
1 423 . 1 1 1 A 40 40 ARG CA C 40 57.183 55.648 1.535 1
1 424 . 1 1 1 A 40 40 ARG CB C 40 29.300 31.411 -2.111 1
1 427 . 1 1 1 A 40 40 ARG N N 40 119.412 121.132 -1.720 1
1 428 . 1 1 1 A 41 41 ASN H H 41 7.601 9.086 -1.485 1
1 429 . 1 1 1 A 41 41 ASN HA H 41 4.408 4.240 0.168 1
1 434 . 1 1 1 A 41 41 ASN C C 41 174.584 174.309 0.275 1
1 435 . 1 1 1 A 41 41 ASN CA C 41 53.396 54.458 -1.062 1
1 436 . 1 1 1 A 41 41 ASN CB C 41 37.847 36.826 1.021 1
1 437 . 1 1 1 A 41 41 ASN N N 41 114.895 117.308 -2.413 1
1 439 . 1 1 1 A 42 42 ARG H H 42 7.927 7.726 0.201 1
1 440 . 1 1 1 A 42 42 ARG HA H 42 3.271 3.381 -0.110 1
1 446 . 1 1 1 A 42 42 ARG CA C 42 57.164 56.585 0.579 1
1 449 . 1 1 1 A 42 42 ARG N N 42 115.263 110.417 4.846 1
1 450 . 1 1 1 A 43 43 SER H H 43 9.112 7.740 1.372 1
1 451 . 1 1 1 A 43 43 SER HA H 43 4.444 4.148 0.296 1
1 454 . 1 1 1 A 43 43 SER CA C 43 59.742 61.637 -1.895 1
1 455 . 1 1 1 A 43 43 SER CB C 43 64.693 63.421 1.272 1
1 456 . 1 1 1 A 43 43 SER N N 43 115.094 112.838 2.256 1
1 457 . 1 1 1 A 44 44 LYS H H 44 8.543 7.969 0.574 1
1 458 . 1 1 1 A 44 44 LYS HA H 44 4.784 4.758 0.026 1
1 464 . 1 1 1 A 44 44 LYS C C 44 175.723 175.384 0.339 1
1 465 . 1 1 1 A 44 44 LYS CA C 44 55.091 54.488 0.603 1
1 466 . 1 1 1 A 44 44 LYS CB C 44 34.642 36.519 -1.877 1
1 470 . 1 1 1 A 45 45 VAL H H 45 8.965 8.937 0.028 1
1 471 . 1 1 1 A 45 45 VAL HA H 45 4.043 3.965 0.078 1
1 479 . 1 1 1 A 45 45 VAL C C 45 176.656 175.459 1.197 1
1 480 . 1 1 1 A 45 45 VAL CA C 45 63.883 62.928 0.955 1
1 481 . 1 1 1 A 45 45 VAL CB C 45 32.621 31.458 1.163 1
1 484 . 1 1 1 A 45 45 VAL N N 45 127.663 122.858 4.805 1
1 485 . 1 1 1 A 46 46 ALA H H 46 9.214 8.973 0.241 1
1 486 . 1 1 1 A 46 46 ALA HA H 46 4.523 4.103 0.420 1
1 490 . 1 1 1 A 46 46 ALA C C 46 176.560 177.324 -0.764 1
1 491 . 1 1 1 A 46 46 ALA CA C 46 52.610 54.325 -1.715 1
1 492 . 1 1 1 A 46 46 ALA CB C 46 20.929 19.470 1.459 1
1 493 . 1 1 1 A 46 46 ALA N N 46 129.165 129.746 -0.581 1
1 494 . 1 1 1 A 47 47 GLN H H 47 7.504 7.657 -0.153 1
1 495 . 1 1 1 A 47 47 GLN HA H 47 4.494 4.529 -0.035 1
1 502 . 1 1 1 A 47 47 GLN C C 47 173.057 173.689 -0.632 1
1 503 . 1 1 1 A 47 47 GLN CA C 47 54.458 54.659 -0.201 1
1 504 . 1 1 1 A 47 47 GLN CB C 47 30.918 30.511 0.407 1
1 506 . 1 1 1 A 47 47 GLN N N 47 112.591 111.089 1.502 1
1 508 . 1 1 1 A 48 48 GLN H H 48 8.541 8.409 0.132 1
1 509 . 1 1 1 A 48 48 GLN HA H 48 4.420 4.114 0.306 1
1 516 . 1 1 1 A 48 48 GLN C C 48 172.864 174.652 -1.788 1
1 517 . 1 1 1 A 48 48 GLN CA C 48 54.774 54.267 0.507 1
1 518 . 1 1 1 A 48 48 GLN CB C 48 28.017 29.285 -1.268 1
1 520 . 1 1 1 A 48 48 GLN N N 48 120.933 121.090 -0.157 1
1 522 . 1 1 1 A 49 49 PRO HA H 49 4.963 4.589 0.374 1
1 529 . 1 1 1 A 49 49 PRO C C 49 177.105 175.328 1.777 1
1 530 . 1 1 1 A 49 49 PRO CA C 49 63.010 62.214 0.796 1
1 531 . 1 1 1 A 49 49 PRO CB C 49 32.625 32.291 0.334 1
1 534 . 1 1 1 A 50 50 LEU H H 50 8.937 8.634 0.303 1
1 535 . 1 1 1 A 50 50 LEU HA H 50 4.742 5.051 -0.309 1
1 545 . 1 1 1 A 50 50 LEU C C 50 176.147 175.947 0.200 1
1 546 . 1 1 1 A 50 50 LEU CA C 50 53.120 53.341 -0.221 1
1 547 . 1 1 1 A 50 50 LEU CB C 50 45.352 44.519 0.833 1
1 551 . 1 1 1 A 50 50 LEU N N 50 121.454 122.025 -0.571 1
1 552 . 1 1 1 A 51 51 SER H H 51 8.771 8.633 0.138 1
1 553 . 1 1 1 A 51 51 SER HA H 51 3.434 4.122 -0.688 1
1 556 . 1 1 1 A 51 51 SER C C 51 175.081 174.677 0.404 1
1 557 . 1 1 1 A 51 51 SER CA C 51 57.936 57.035 0.901 1
1 558 . 1 1 1 A 51 51 SER CB C 51 62.378 62.504 -0.126 1
1 559 . 1 1 1 A 51 51 SER N N 51 120.178 117.880 2.298 1
1 560 . 1 1 1 A 52 52 LEU H H 52 8.045 7.557 0.488 1
1 561 . 1 1 1 A 52 52 LEU HA H 52 4.443 3.913 0.530 1
1 571 . 1 1 1 A 52 52 LEU C C 52 177.916 177.802 0.114 1
1 572 . 1 1 1 A 52 52 LEU CA C 52 55.105 57.922 -2.817 1
1 573 . 1 1 1 A 52 52 LEU CB C 52 42.762 41.392 1.370 1
1 577 . 1 1 1 A 52 52 LEU N N 52 125.348 125.355 -0.007 1
1 578 . 1 1 1 A 53 53 VAL H H 53 7.418 7.117 0.301 1
1 579 . 1 1 1 A 53 53 VAL HA H 53 3.841 3.841 0.000 1
1 587 . 1 1 1 A 53 53 VAL C C 53 178.123 176.644 1.479 1
1 588 . 1 1 1 A 53 53 VAL CA C 53 64.893 63.984 0.909 1
1 589 . 1 1 1 A 53 53 VAL CB C 53 30.973 31.250 -0.277 1
1 592 . 1 1 1 A 53 53 VAL N N 53 119.590 117.260 2.330 1
1 593 . 1 1 1 A 54 54 GLY H H 54 9.187 8.869 0.318 1
1 594 . 1 1 1 A 54 54 GLY HA2 H 54 4.292 3.978 0.314 1
1 595 . 1 1 1 A 54 54 GLY HA3 H 54 3.934 4.006 -0.072 1
1 596 . 1 1 1 A 54 54 GLY C C 54 175.275 174.653 0.622 1
1 597 . 1 1 1 A 54 54 GLY CA C 54 45.906 44.975 0.931 1
1 598 . 1 1 1 A 54 54 GLY N N 54 115.764 116.173 -0.409 1
1 599 . 1 1 1 A 55 55 CYS H H 55 7.871 8.253 -0.382 1
1 600 . 1 1 1 A 55 55 CYS HA H 55 5.052 4.519 0.533 1
1 603 . 1 1 1 A 55 55 CYS C C 55 174.112 173.471 0.641 1
1 604 . 1 1 1 A 55 55 CYS CA C 55 60.352 59.762 0.590 1
1 605 . 1 1 1 A 55 55 CYS CB C 55 28.779 28.843 -0.064 1
1 606 . 1 1 1 A 55 55 CYS N N 55 117.748 120.383 -2.635 1
1 607 . 1 1 1 A 56 56 GLU H H 56 9.140 8.701 0.439 1
1 608 . 1 1 1 A 56 56 GLU HA H 56 4.672 4.926 -0.254 1
1 612 . 1 1 1 A 56 56 GLU C C 56 175.105 174.597 0.508 1
1 613 . 1 1 1 A 56 56 GLU CA C 56 55.179 54.935 0.244 1
1 614 . 1 1 1 A 56 56 GLU CB C 56 33.097 33.356 -0.259 1
1 616 . 1 1 1 A 56 56 GLU N N 56 120.179 123.115 -2.936 1
1 617 . 1 1 1 A 57 57 VAL H H 57 8.385 8.937 -0.552 1
1 618 . 1 1 1 A 57 57 VAL HA H 57 5.238 4.575 0.663 1
1 626 . 1 1 1 A 57 57 VAL C C 57 175.238 175.899 -0.661 1
1 627 . 1 1 1 A 57 57 VAL CA C 57 61.064 62.184 -1.120 1
1 628 . 1 1 1 A 57 57 VAL CB C 57 33.429 31.881 1.548 1
1 631 . 1 1 1 A 57 57 VAL N N 57 122.535 127.221 -4.686 1
1 632 . 1 1 1 A 58 58 VAL H H 58 8.884 9.091 -0.207 1
1 633 . 1 1 1 A 58 58 VAL HA H 58 5.053 4.921 0.132 1
1 641 . 1 1 1 A 58 58 VAL C C 58 174.027 173.655 0.372 1
1 642 . 1 1 1 A 58 58 VAL CA C 58 57.977 57.959 0.018 1
1 643 . 1 1 1 A 58 58 VAL CB C 58 35.583 34.325 1.258 1
1 646 . 1 1 1 A 58 58 VAL N N 58 122.081 121.650 0.431 1
1 647 . 1 1 1 A 59 59 PRO HA H 59 4.573 4.912 -0.339 1
1 654 . 1 1 1 A 59 59 PRO C C 59 175.457 175.184 0.273 1
1 655 . 1 1 1 A 59 59 PRO CA C 59 63.643 62.383 1.260 1
1 656 . 1 1 1 A 59 59 PRO CB C 59 32.915 29.983 2.932 1
1 659 . 1 1 1 A 60 60 ASP H H 60 8.989 8.398 0.591 1
1 660 . 1 1 1 A 60 60 ASP HA H 60 5.179 5.295 -0.116 1
1 663 . 1 1 1 A 60 60 ASP C C 60 172.742 174.244 -1.502 1
1 664 . 1 1 1 A 60 60 ASP CA C 60 52.698 50.916 1.782 1
1 665 . 1 1 1 A 60 60 ASP CB C 60 43.314 41.341 1.973 1
1 666 . 1 1 1 A 60 60 ASP N N 60 122.718 123.848 -1.130 1
1 667 . 1 1 1 A 61 61 PRO HA H 61 4.681 4.679 0.002 1
1 674 . 1 1 1 A 61 61 PRO C C 61 177.420 175.156 2.264 1
1 675 . 1 1 1 A 61 61 PRO CA C 61 63.594 62.399 1.195 1
1 676 . 1 1 1 A 61 61 PRO CB C 61 32.950 32.911 0.039 1
1 679 . 1 1 1 A 62 62 SER H H 62 7.803 8.125 -0.322 1
1 680 . 1 1 1 A 62 62 SER HA H 62 4.797 4.985 -0.188 1
1 683 . 1 1 1 A 62 62 SER C C 62 174.851 174.753 0.098 1
1 684 . 1 1 1 A 62 62 SER CA C 62 56.896 55.689 1.207 1
1 685 . 1 1 1 A 62 62 SER CB C 62 63.959 65.379 -1.420 1
1 686 . 1 1 1 A 62 62 SER N N 62 115.582 114.782 0.800 1
1 687 . 1 1 1 A 63 63 PRO HA H 63 4.089 4.497 -0.408 1
1 694 . 1 1 1 A 63 63 PRO C C 63 177.105 176.713 0.392 1
1 695 . 1 1 1 A 63 63 PRO CA C 63 66.024 64.070 1.954 1
1 696 . 1 1 1 A 63 63 PRO CB C 63 31.763 31.441 0.322 1
1 699 . 1 1 1 A 64 64 ASP H H 64 8.361 8.388 -0.027 1
1 700 . 1 1 1 A 64 64 ASP HA H 64 4.290 4.876 -0.586 1
1 703 . 1 1 1 A 64 64 ASP C C 64 174.802 175.154 -0.352 1
1 704 . 1 1 1 A 64 64 ASP CA C 64 54.458 53.979 0.479 1
1 705 . 1 1 1 A 64 64 ASP CB C 64 40.481 43.130 -2.649 1
1 706 . 1 1 1 A 64 64 ASP N N 64 111.867 117.575 -5.708 1
1 707 . 1 1 1 A 65 65 HIS H H 65 7.781 7.346 0.435 1
1 708 . 1 1 1 A 65 65 HIS HA H 65 4.558 4.647 -0.089 1
1 713 . 1 1 1 A 65 65 HIS C C 65 174.972 174.583 0.389 1
1 714 . 1 1 1 A 65 65 HIS CA C 65 54.370 54.402 -0.032 1
1 715 . 1 1 1 A 65 65 HIS CB C 65 28.450 32.043 -3.593 1
1 718 . 1 1 1 A 65 65 HIS N N 65 120.793 115.319 5.474 1
1 719 . 1 1 1 A 66 66 LEU H H 66 8.206 8.118 0.088 1
1 720 . 1 1 1 A 66 66 LEU HA H 66 3.893 4.299 -0.406 1
1 730 . 1 1 1 A 66 66 LEU C C 66 178.826 176.371 2.455 1
1 731 . 1 1 1 A 66 66 LEU CA C 66 57.857 54.229 3.628 1
1 732 . 1 1 1 A 66 66 LEU CB C 66 42.245 41.458 0.787 1
1 736 . 1 1 1 A 66 66 LEU N N 66 124.390 124.761 -0.371 1
1 737 . 1 1 1 A 67 67 TYR H H 67 8.612 7.580 1.032 1
1 738 . 1 1 1 A 67 67 TYR HA H 67 5.417 4.908 0.509 1
1 745 . 1 1 1 A 67 67 TYR C C 67 176.403 174.364 2.039 1
1 746 . 1 1 1 A 67 67 TYR CA C 67 55.320 57.355 -2.035 1
1 747 . 1 1 1 A 67 67 TYR CB C 67 35.524 38.050 -2.526 1
1 752 . 1 1 1 A 67 67 TYR N N 67 118.042 119.693 -1.651 1
1 753 . 1 1 1 A 68 68 SER H H 68 6.652 7.758 -1.106 1
1 754 . 1 1 1 A 68 68 SER HA H 68 5.742 5.120 0.622 1
1 757 . 1 1 1 A 68 68 SER C C 68 174.827 173.029 1.798 1
1 758 . 1 1 1 A 68 68 SER CA C 68 56.147 56.091 0.056 1
1 759 . 1 1 1 A 68 68 SER CB C 68 65.504 65.125 0.379 1
1 760 . 1 1 1 A 68 68 SER N N 68 111.076 116.208 -5.132 1
1 761 . 1 1 1 A 69 69 PHE H H 69 9.089 8.470 0.619 1
1 762 . 1 1 1 A 69 69 PHE HA H 69 5.212 5.651 -0.439 1
1 770 . 1 1 1 A 69 69 PHE C C 69 171.676 172.903 -1.227 1
1 771 . 1 1 1 A 69 69 PHE CA C 69 55.918 55.437 0.481 1
1 772 . 1 1 1 A 69 69 PHE CB C 69 41.034 42.219 -1.185 1
1 778 . 1 1 1 A 69 69 PHE N N 69 121.539 121.143 0.396 1
1 779 . 1 1 1 A 70 70 ARG H H 70 9.299 8.926 0.373 1
1 780 . 1 1 1 A 70 70 ARG HA H 70 5.333 5.162 0.171 1
1 787 . 1 1 1 A 70 70 ARG C C 70 174.197 174.330 -0.133 1
1 788 . 1 1 1 A 70 70 ARG CA C 70 54.198 54.488 -0.290 1
1 789 . 1 1 1 A 70 70 ARG CB C 70 35.236 34.072 1.164 1
1 792 . 1 1 1 A 70 70 ARG N N 70 117.458 118.506 -1.048 1
1 794 . 1 1 1 A 71 71 ILE H H 71 8.505 8.447 0.058 1
1 795 . 1 1 1 A 71 71 ILE HA H 71 4.974 5.372 -0.398 1
1 805 . 1 1 1 A 71 71 ILE C C 71 174.996 174.941 0.055 1
1 806 . 1 1 1 A 71 71 ILE CA C 71 60.622 59.822 0.800 1
1 807 . 1 1 1 A 71 71 ILE CB C 71 39.636 41.025 -1.389 1
1 811 . 1 1 1 A 71 71 ILE N N 71 119.757 123.201 -3.444 1
1 812 . 1 1 1 A 72 72 LEU H H 72 9.488 9.088 0.400 1
1 813 . 1 1 1 A 72 72 LEU HA H 72 5.473 5.355 0.118 1
1 823 . 1 1 1 A 72 72 LEU C C 72 176.172 175.251 0.921 1
1 824 . 1 1 1 A 72 72 LEU CA C 72 53.507 53.975 -0.468 1
1 825 . 1 1 1 A 72 72 LEU CB C 72 46.393 46.025 0.368 1
1 829 . 1 1 1 A 72 72 LEU N N 72 128.277 125.460 2.817 1
1 830 . 1 1 1 A 73 73 HIS H H 73 9.087 8.850 0.237 1
1 831 . 1 1 1 A 73 73 HIS HA H 73 4.888 4.934 -0.046 1
1 836 . 1 1 1 A 73 73 HIS C C 73 175.118 174.432 0.686 1
1 837 . 1 1 1 A 73 73 HIS CA C 73 56.675 55.449 1.226 1
1 838 . 1 1 1 A 73 73 HIS CB C 73 32.933 31.806 1.127 1
1 841 . 1 1 1 A 73 73 HIS N N 73 119.084 122.604 -3.520 1
1 842 . 1 1 1 A 74 74 LYS H H 74 9.551 9.517 0.034 1
1 843 . 1 1 1 A 74 74 LYS HA H 74 3.763 3.777 -0.014 1
1 852 . 1 1 1 A 74 74 LYS C C 74 176.851 176.570 0.281 1
1 853 . 1 1 1 A 74 74 LYS CA C 74 56.969 57.438 -0.469 1
1 854 . 1 1 1 A 74 74 LYS CB C 74 29.766 30.031 -0.265 1
1 858 . 1 1 1 A 74 74 LYS N N 74 128.764 127.478 1.286 1
1 859 . 1 1 1 A 75 75 GLY H H 75 8.877 8.366 0.511 1
1 860 . 1 1 1 A 75 75 GLY HA2 H 75 3.523 3.993 -0.470 1
1 861 . 1 1 1 A 75 75 GLY HA3 H 75 4.213 3.995 0.218 1
1 862 . 1 1 1 A 75 75 GLY C C 75 173.566 174.749 -1.183 1
1 863 . 1 1 1 A 75 75 GLY CA C 75 45.346 45.031 0.315 1
1 864 . 1 1 1 A 75 75 GLY N N 75 104.552 105.891 -1.339 1
1 865 . 1 1 1 A 76 76 GLU H H 76 7.922 7.861 0.061 1
1 866 . 1 1 1 A 76 76 GLU HA H 76 4.491 4.638 -0.147 1
1 871 . 1 1 1 A 76 76 GLU C C 76 175.651 174.896 0.755 1
1 872 . 1 1 1 A 76 76 GLU CA C 76 54.721 55.725 -1.004 1
1 873 . 1 1 1 A 76 76 GLU CB C 76 31.187 31.515 -0.328 1
1 875 . 1 1 1 A 76 76 GLU N N 76 121.492 120.224 1.268 1
1 876 . 1 1 1 A 77 77 GLU H H 77 8.925 8.507 0.418 1
1 877 . 1 1 1 A 77 77 GLU HA H 77 4.309 5.038 -0.729 1
1 881 . 1 1 1 A 77 77 GLU C C 77 175.857 175.450 0.407 1
1 882 . 1 1 1 A 77 77 GLU CA C 77 57.412 55.240 2.172 1
1 883 . 1 1 1 A 77 77 GLU CB C 77 31.146 32.051 -0.905 1
1 885 . 1 1 1 A 77 77 GLU N N 77 125.541 121.866 3.675 1
1 886 . 1 1 1 A 78 78 LEU H H 78 9.475 8.811 0.664 1
1 887 . 1 1 1 A 78 78 LEU HA H 78 4.513 4.460 0.053 1
1 897 . 1 1 1 A 78 78 LEU C C 78 177.541 176.585 0.956 1
1 898 . 1 1 1 A 78 78 LEU CA C 78 55.443 55.915 -0.472 1
1 899 . 1 1 1 A 78 78 LEU CB C 78 43.776 43.187 0.589 1
1 903 . 1 1 1 A 78 78 LEU N N 78 128.715 127.898 0.817 1
1 904 . 1 1 1 A 79 79 ALA H H 79 7.550 7.525 0.025 1
1 905 . 1 1 1 A 79 79 ALA HA H 79 4.503 4.625 -0.122 1
1 909 . 1 1 1 A 79 79 ALA C C 79 174.342 175.262 -0.920 1
1 910 . 1 1 1 A 79 79 ALA CA C 79 51.906 51.558 0.348 1
1 911 . 1 1 1 A 79 79 ALA CB C 79 22.017 22.471 -0.454 1
1 912 . 1 1 1 A 79 79 ALA N N 79 116.317 116.465 -0.148 1
1 913 . 1 1 1 A 80 80 LYS H H 80 8.743 8.685 0.058 1
1 914 . 1 1 1 A 80 80 LYS HA H 80 4.725 4.855 -0.130 1
1 923 . 1 1 1 A 80 80 LYS C C 80 172.973 174.568 -1.595 1
1 924 . 1 1 1 A 80 80 LYS CA C 80 56.604 55.490 1.114 1
1 925 . 1 1 1 A 80 80 LYS CB C 80 34.331 36.119 -1.788 1
1 929 . 1 1 1 A 80 80 LYS N N 80 123.623 119.477 4.146 1
1 930 . 1 1 1 A 81 81 LEU H H 81 8.504 8.844 -0.340 1
1 931 . 1 1 1 A 81 81 LEU HA H 81 5.531 5.519 0.012 1
1 941 . 1 1 1 A 81 81 LEU C C 81 176.366 175.303 1.063 1
1 942 . 1 1 1 A 81 81 LEU CA C 81 53.665 53.090 0.575 1
1 943 . 1 1 1 A 81 81 LEU CB C 81 45.969 45.251 0.718 1
1 947 . 1 1 1 A 81 81 LEU N N 81 124.594 127.988 -3.394 1
1 948 . 1 1 1 A 82 82 GLU H H 82 9.018 8.322 0.696 1
1 949 . 1 1 1 A 82 82 GLU HA H 82 4.826 4.510 0.316 1
1 954 . 1 1 1 A 82 82 GLU C C 82 174.439 175.598 -1.159 1
1 955 . 1 1 1 A 82 82 GLU CA C 82 56.376 54.704 1.672 1
1 956 . 1 1 1 A 82 82 GLU CB C 82 32.852 32.857 -0.005 1
1 958 . 1 1 1 A 82 82 GLU N N 82 118.819 121.179 -2.360 1
1 959 . 1 1 1 A 83 83 ALA H H 83 8.027 8.952 -0.925 1
1 960 . 1 1 1 A 83 83 ALA HA H 83 4.980 4.544 0.436 1
1 964 . 1 1 1 A 83 83 ALA C C 83 176.439 179.004 -2.565 1
1 965 . 1 1 1 A 83 83 ALA CA C 83 50.059 51.107 -1.048 1
1 966 . 1 1 1 A 83 83 ALA CB C 83 21.702 20.471 1.231 1
1 967 . 1 1 1 A 83 83 ALA N N 83 127.765 128.422 -0.657 1
1 968 . 1 1 1 A 84 84 LYS H H 84 9.017 8.363 0.654 1
1 969 . 1 1 1 A 84 84 LYS HA H 84 4.432 4.521 -0.089 1
1 977 . 1 1 1 A 84 84 LYS C C 84 175.930 176.361 -0.431 1
1 978 . 1 1 1 A 84 84 LYS CA C 84 56.956 56.901 0.055 1
1 979 . 1 1 1 A 84 84 LYS CB C 84 32.974 33.853 -0.879 1
1 983 . 1 1 1 A 84 84 LYS N N 84 115.456 116.687 -1.231 1
1 984 . 1 1 1 A 85 85 SER H H 85 7.324 7.633 -0.309 1
1 985 . 1 1 1 A 85 85 SER HA H 85 4.074 4.275 -0.201 1
1 988 . 1 1 1 A 85 85 SER C C 85 173.421 174.061 -0.640 1
1 989 . 1 1 1 A 85 85 SER CA C 85 56.038 55.170 0.868 1
1 990 . 1 1 1 A 85 85 SER CB C 85 66.506 67.137 -0.631 1
1 991 . 1 1 1 A 85 85 SER N N 85 110.261 112.489 -2.228 1
1 992 . 1 1 1 A 86 86 SER H H 86 8.610 8.076 0.534 1
1 993 . 1 1 1 A 86 86 SER HA H 86 3.648 3.985 -0.337 1
1 996 . 1 1 1 A 86 86 SER C C 86 177.784 176.289 1.495 1
1 997 . 1 1 1 A 86 86 SER CA C 86 61.391 61.684 -0.293 1
1 998 . 1 1 1 A 86 86 SER CB C 86 62.378 62.630 -0.252 1
1 999 . 1 1 1 A 86 86 SER N N 86 117.136 116.042 1.094 1
1 1000 . 1 1 1 A 87 87 GLU H H 87 8.890 7.705 1.185 1
1 1001 . 1 1 1 A 87 87 GLU HA H 87 4.031 4.079 -0.048 1
1 1006 . 1 1 1 A 87 87 GLU C C 87 179.492 179.303 0.189 1
1 1007 . 1 1 1 A 87 87 GLU CA C 87 59.983 59.530 0.453 1
1 1008 . 1 1 1 A 87 87 GLU CB C 87 28.969 29.008 -0.039 1
1 1010 . 1 1 1 A 87 87 GLU N N 87 123.189 121.946 1.243 1
1 1011 . 1 1 1 A 88 88 GLU H H 88 8.015 8.294 -0.279 1
1 1012 . 1 1 1 A 88 88 GLU HA H 88 4.243 4.164 0.079 1
1 1017 . 1 1 1 A 88 88 GLU C C 88 178.472 178.973 -0.501 1
1 1018 . 1 1 1 A 88 88 GLU CA C 88 59.642 59.372 0.270 1
1 1019 . 1 1 1 A 88 88 GLU CB C 88 31.016 29.463 1.553 1
1 1021 . 1 1 1 A 88 88 GLU N N 88 121.015 119.886 1.129 1
1 1022 . 1 1 1 A 89 89 MET H H 89 8.334 8.417 -0.083 1
1 1023 . 1 1 1 A 89 89 MET HA H 89 3.843 4.408 -0.565 1
1 1030 . 1 1 1 A 89 89 MET C C 89 177.396 178.738 -1.342 1
1 1031 . 1 1 1 A 89 89 MET CA C 89 60.458 58.079 2.379 1
1 1032 . 1 1 1 A 89 89 MET CB C 89 32.481 32.559 -0.078 1
1 1035 . 1 1 1 A 89 89 MET N N 89 119.764 118.986 0.778 1
1 1036 . 1 1 1 A 90 90 GLY H H 90 8.452 8.330 0.122 1
1 1037 . 1 1 1 A 90 90 GLY HA2 H 90 4.008 3.662 0.346 1
1 1038 . 1 1 1 A 90 90 GLY HA3 H 90 3.723 3.682 0.041 1
1 1039 . 1 1 1 A 90 90 GLY C C 90 176.814 175.664 1.150 1
1 1040 . 1 1 1 A 90 90 GLY CA C 90 47.489 46.999 0.490 1
1 1041 . 1 1 1 A 90 90 GLY N N 90 105.180 108.650 -3.470 1
1 1042 . 1 1 1 A 91 91 HIS H H 91 7.919 8.074 -0.155 1
1 1043 . 1 1 1 A 91 91 HIS HA H 91 4.329 4.202 0.127 1
1 1048 . 1 1 1 A 91 91 HIS C C 91 178.208 177.222 0.986 1
1 1049 . 1 1 1 A 91 91 HIS CA C 91 59.367 58.752 0.615 1
1 1050 . 1 1 1 A 91 91 HIS CB C 91 30.612 29.785 0.827 1
1 1053 . 1 1 1 A 91 91 HIS N N 91 121.929 121.309 0.620 1
1 1054 . 1 1 1 A 92 92 TRP H H 92 8.199 7.450 0.749 1
1 1055 . 1 1 1 A 92 92 TRP HA H 92 3.829 4.126 -0.297 1
1 1064 . 1 1 1 A 92 92 TRP C C 92 178.257 178.559 -0.302 1
1 1065 . 1 1 1 A 92 92 TRP CA C 92 62.464 59.966 2.498 1
1 1066 . 1 1 1 A 92 92 TRP CB C 92 29.190 29.903 -0.713 1
1 1072 . 1 1 1 A 92 92 TRP N N 92 120.070 118.032 2.038 1
1 1074 . 1 1 1 A 93 93 LEU H H 93 8.740 8.327 0.413 1
1 1075 . 1 1 1 A 93 93 LEU HA H 93 3.695 3.693 0.002 1
1 1085 . 1 1 1 A 93 93 LEU C C 93 179.105 179.213 -0.108 1
1 1086 . 1 1 1 A 93 93 LEU CA C 93 59.076 58.194 0.882 1
1 1087 . 1 1 1 A 93 93 LEU CB C 93 40.993 41.639 -0.646 1
1 1091 . 1 1 1 A 93 93 LEU N N 93 119.445 120.253 -0.808 1
1 1092 . 1 1 1 A 94 94 GLY H H 94 7.616 8.023 -0.407 1
1 1093 . 1 1 1 A 94 94 GLY HA2 H 94 3.852 3.595 0.257 1
1 1094 . 1 1 1 A 94 94 GLY HA3 H 94 3.759 3.611 0.148 1
1 1095 . 1 1 1 A 94 94 GLY C C 94 176.693 175.424 1.269 1
1 1096 . 1 1 1 A 94 94 GLY CA C 94 47.120 47.285 -0.165 1
1 1097 . 1 1 1 A 94 94 GLY N N 94 102.951 105.535 -2.584 1
1 1098 . 1 1 1 A 95 95 LEU H H 95 7.853 7.653 0.200 1
1 1099 . 1 1 1 A 95 95 LEU HA H 95 4.024 3.849 0.175 1
1 1109 . 1 1 1 A 95 95 LEU C C 95 179.589 178.454 1.135 1
1 1110 . 1 1 1 A 95 95 LEU CA C 95 57.678 57.310 0.368 1
1 1111 . 1 1 1 A 95 95 LEU CB C 95 42.533 41.016 1.517 1
1 1115 . 1 1 1 A 95 95 LEU N N 95 123.479 122.727 0.752 1
1 1116 . 1 1 1 A 96 96 LEU H H 96 8.649 8.449 0.200 1
1 1117 . 1 1 1 A 96 96 LEU HA H 96 3.971 4.029 -0.058 1
1 1127 . 1 1 1 A 96 96 LEU C C 96 179.068 179.067 0.001 1
1 1128 . 1 1 1 A 96 96 LEU CA C 96 57.906 57.905 0.001 1
1 1129 . 1 1 1 A 96 96 LEU CB C 96 42.104 41.521 0.583 1
1 1133 . 1 1 1 A 96 96 LEU N N 96 118.046 118.643 -0.597 1
1 1134 . 1 1 1 A 97 97 LEU H H 97 8.198 8.169 0.029 1
1 1135 . 1 1 1 A 97 97 LEU HA H 97 4.234 4.082 0.152 1
1 1145 . 1 1 1 A 97 97 LEU C C 97 180.177 178.973 1.204 1
1 1146 . 1 1 1 A 97 97 LEU CA C 97 57.361 58.055 -0.694 1
1 1147 . 1 1 1 A 97 97 LEU CB C 97 41.611 41.516 0.095 1
1 1151 . 1 1 1 A 97 97 LEU N N 97 118.670 118.786 -0.116 1
1 1152 . 1 1 1 A 98 98 SER H H 98 7.818 8.286 -0.468 1
1 1153 . 1 1 1 A 98 98 SER HA H 98 4.328 4.131 0.197 1
1 1156 . 1 1 1 A 98 98 SER C C 98 176.863 177.281 -0.418 1
1 1157 . 1 1 1 A 98 98 SER CA C 98 61.004 61.250 -0.246 1
1 1158 . 1 1 1 A 98 98 SER CB C 98 63.322 62.335 0.987 1
1 1159 . 1 1 1 A 98 98 SER N N 98 115.679 112.620 3.059 1
1 1160 . 1 1 1 A 99 99 GLU H H 99 8.003 7.903 0.100 1
1 1161 . 1 1 1 A 99 99 GLU HA H 99 4.193 4.214 -0.021 1
1 1166 . 1 1 1 A 99 99 GLU C C 99 177.226 177.623 -0.397 1
1 1167 . 1 1 1 A 99 99 GLU CA C 99 57.449 59.359 -1.910 1
1 1168 . 1 1 1 A 99 99 GLU CB C 99 30.260 29.514 0.746 1
1 1170 . 1 1 1 A 99 99 GLU N N 99 120.518 122.663 -2.145 1
1 1171 . 1 1 1 A 100 100 SER H H 100 7.892 8.355 -0.463 1
1 1172 . 1 1 1 A 100 100 SER HA H 100 4.582 4.449 0.133 1
1 1175 . 1 1 1 A 100 100 SER C C 100 175.881 174.688 1.193 1
1 1176 . 1 1 1 A 100 100 SER CA C 100 59.561 58.464 1.097 1
1 1177 . 1 1 1 A 100 100 SER CB C 100 64.188 62.396 1.792 1
1 1178 . 1 1 1 A 100 100 SER N N 100 113.686 110.759 2.927 1
1 1179 . 1 1 1 A 101 101 GLY H H 101 7.861 8.196 -0.335 1
1 1180 . 1 1 1 A 101 101 GLY HA2 H 101 4.114 4.126 -0.012 1
1 1181 . 1 1 1 A 101 101 GLY HA3 H 101 4.063 4.128 -0.065 1
1 1182 . 1 1 1 A 101 101 GLY C C 101 174.076 173.609 0.467 1
1 1183 . 1 1 1 A 101 101 GLY CA C 101 45.501 45.241 0.260 1
1 1184 . 1 1 1 A 101 101 GLY N N 101 109.148 112.097 -2.949 1
1 1185 . 1 1 1 A 102 102 SER H H 102 8.260 8.597 -0.337 1
1 1186 . 1 1 1 A 102 102 SER HA H 102 4.543 5.196 -0.653 1
1 1189 . 1 1 1 A 102 102 SER C C 102 174.851 173.007 1.844 1
1 1190 . 1 1 1 A 102 102 SER CA C 102 58.646 57.866 0.780 1
1 1191 . 1 1 1 A 102 102 SER CB C 102 64.211 66.824 -2.613 1
1 1192 . 1 1 1 A 102 102 SER N N 102 116.298 119.708 -3.410 1
1 1193 . 1 1 1 A 103 103 GLY H H 103 8.252 8.370 -0.118 1
1 1194 . 1 1 1 A 103 103 GLY HA2 H 103 4.173 4.128 0.045 1
1 1195 . 1 1 1 A 103 103 GLY HA3 H 103 4.074 4.129 -0.055 1
1 1196 . 1 1 1 A 103 103 GLY C C 103 171.773 174.210 -2.437 1
1 1197 . 1 1 1 A 103 103 GLY CA C 103 44.777 43.952 0.825 1
1 1198 . 1 1 1 A 103 103 GLY N N 103 110.162 110.730 -0.568 1
1 1199 . 1 1 1 A 104 104 PRO HA H 104 4.515 4.520 -0.005 1
1 1206 . 1 1 1 A 104 104 PRO CA C 104 63.224 63.841 -0.617 1
1 1207 . 1 1 1 A 104 104 PRO CB C 104 32.174 31.694 0.480 1
1 1210 . 1 1 1 A 105 105 SER H H 105 8.559 7.798 0.761 1
1 1211 . 1 1 1 A 105 105 SER CA C 105 60.998 56.976 4.022 1
1 1212 . 1 1 1 A 105 105 SER CB C 105 63.768 65.276 -1.508 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.952 3.970 -0.018 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.952 3.984 -0.032 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.197 172.946 1.251 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.378 45.822 -0.444 1
1 5 . 2 1 1 A 8 8 LEU H H 8 8.030 8.567 -0.537 1
1 6 . 2 1 1 A 8 8 LEU HA H 8 4.321 4.427 -0.106 1
1 16 . 2 1 1 A 8 8 LEU C C 8 177.468 174.924 2.544 1
1 17 . 2 1 1 A 8 8 LEU CA C 8 55.320 53.776 1.544 1
1 18 . 2 1 1 A 8 8 LEU CB C 8 42.556 41.213 1.343 1
1 22 . 2 1 1 A 8 8 LEU N N 8 121.494 126.564 -5.070 1
1 23 . 2 1 1 A 9 9 GLU H H 9 8.577 8.304 0.273 1
1 24 . 2 1 1 A 9 9 GLU HA H 9 4.454 4.295 0.159 1
1 29 . 2 1 1 A 9 9 GLU C C 9 177.056 178.478 -1.422 1
1 30 . 2 1 1 A 9 9 GLU CA C 9 56.956 56.681 0.275 1
1 31 . 2 1 1 A 9 9 GLU CB C 9 30.237 29.824 0.413 1
1 33 . 2 1 1 A 9 9 GLU N N 9 121.449 126.434 -4.985 1
1 34 . 2 1 1 A 10 10 THR H H 10 8.189 8.852 -0.663 1
1 35 . 2 1 1 A 10 10 THR HA H 10 4.323 3.785 0.538 1
1 40 . 2 1 1 A 10 10 THR CA C 10 62.062 65.762 -3.700 1
1 41 . 2 1 1 A 10 10 THR CB C 10 69.441 68.406 1.035 1
1 43 . 2 1 1 A 10 10 THR N N 10 113.730 118.546 -4.816 1
1 44 . 2 1 1 A 11 11 SER H H 11 7.883 7.972 -0.089 1
1 45 . 2 1 1 A 11 11 SER HA H 11 5.249 4.598 0.651 1
1 48 . 2 1 1 A 11 11 SER CA C 11 57.852 58.708 -0.856 1
1 49 . 2 1 1 A 11 11 SER CB C 11 65.426 61.595 3.831 1
1 50 . 2 1 1 A 12 12 SER H H 12 8.413 8.887 -0.474 1
1 51 . 2 1 1 A 12 12 SER HA H 12 4.467 5.004 -0.537 1
1 54 . 2 1 1 A 12 12 SER CA C 12 58.741 56.853 1.888 1
1 55 . 2 1 1 A 12 12 SER CB C 12 65.239 66.260 -1.021 1
1 56 . 2 1 1 A 12 12 SER N N 12 116.995 122.865 -5.870 1
1 57 . 2 1 1 A 13 13 TYR H H 13 8.156 8.241 -0.085 1
1 58 . 2 1 1 A 13 13 TYR HA H 13 4.936 4.546 0.390 1
1 65 . 2 1 1 A 13 13 TYR CA C 13 58.533 56.833 1.700 1
1 68 . 2 1 1 A 13 13 TYR N N 13 121.972 120.328 1.644 1
1 69 . 2 1 1 A 14 14 LEU H H 14 8.803 8.648 0.155 1
1 70 . 2 1 1 A 14 14 LEU HA H 14 4.573 4.878 -0.305 1
1 80 . 2 1 1 A 14 14 LEU C C 14 175.845 175.472 0.373 1
1 81 . 2 1 1 A 14 14 LEU CA C 14 54.141 53.413 0.728 1
1 82 . 2 1 1 A 14 14 LEU CB C 14 46.603 45.258 1.345 1
1 86 . 2 1 1 A 14 14 LEU N N 14 123.967 126.017 -2.050 1
1 87 . 2 1 1 A 15 15 ASN H H 15 8.090 8.629 -0.539 1
1 88 . 2 1 1 A 15 15 ASN HA H 15 5.669 5.190 0.479 1
1 93 . 2 1 1 A 15 15 ASN C C 15 174.972 174.366 0.606 1
1 94 . 2 1 1 A 15 15 ASN CA C 15 51.589 52.665 -1.076 1
1 95 . 2 1 1 A 15 15 ASN CB C 15 40.317 39.417 0.900 1
1 96 . 2 1 1 A 15 15 ASN N N 15 117.248 120.046 -2.798 1
1 98 . 2 1 1 A 16 16 VAL H H 16 9.452 8.327 1.125 1
1 99 . 2 1 1 A 16 16 VAL HA H 16 4.743 4.602 0.141 1
1 107 . 2 1 1 A 16 16 VAL C C 16 174.269 176.316 -2.047 1
1 108 . 2 1 1 A 16 16 VAL CA C 16 60.574 61.899 -1.325 1
1 109 . 2 1 1 A 16 16 VAL CB C 16 35.194 32.442 2.752 1
1 112 . 2 1 1 A 16 16 VAL N N 16 122.909 125.593 -2.684 1
1 113 . 2 1 1 A 17 17 LEU H H 17 7.892 8.552 -0.660 1
1 114 . 2 1 1 A 17 17 LEU HA H 17 3.679 3.906 -0.227 1
1 124 . 2 1 1 A 17 17 LEU C C 17 175.747 175.042 0.705 1
1 125 . 2 1 1 A 17 17 LEU CA C 17 54.493 56.261 -1.768 1
1 126 . 2 1 1 A 17 17 LEU CB C 17 40.541 41.388 -0.847 1
1 130 . 2 1 1 A 17 17 LEU N N 17 130.093 131.050 -0.957 1
1 131 . 2 1 1 A 18 18 VAL H H 18 8.923 8.913 0.010 1
1 132 . 2 1 1 A 18 18 VAL HA H 18 4.053 4.321 -0.268 1
1 140 . 2 1 1 A 18 18 VAL C C 18 175.869 175.913 -0.044 1
1 141 . 2 1 1 A 18 18 VAL CA C 18 61.285 61.255 0.030 1
1 142 . 2 1 1 A 18 18 VAL CB C 18 33.609 34.127 -0.518 1
1 145 . 2 1 1 A 18 18 VAL N N 18 130.417 127.881 2.536 1
1 146 . 2 1 1 A 19 19 ASN H H 19 9.323 9.448 -0.125 1
1 147 . 2 1 1 A 19 19 ASN HA H 19 4.232 4.318 -0.086 1
1 152 . 2 1 1 A 19 19 ASN C C 19 174.948 175.060 -0.112 1
1 153 . 2 1 1 A 19 19 ASN CA C 19 54.809 54.575 0.234 1
1 154 . 2 1 1 A 19 19 ASN CB C 19 37.192 36.638 0.554 1
1 155 . 2 1 1 A 19 19 ASN N N 19 127.579 127.665 -0.086 1
1 157 . 2 1 1 A 20 20 SER H H 20 8.464 8.400 0.064 1
1 158 . 2 1 1 A 20 20 SER HA H 20 3.653 3.952 -0.299 1
1 161 . 2 1 1 A 20 20 SER C C 20 172.645 172.875 -0.230 1
1 162 . 2 1 1 A 20 20 SER CA C 20 60.458 59.165 1.293 1
1 163 . 2 1 1 A 20 20 SER CB C 20 62.584 61.895 0.689 1
1 164 . 2 1 1 A 20 20 SER N N 20 106.869 111.221 -4.352 1
1 165 . 2 1 1 A 21 21 GLN H H 21 7.695 7.170 0.525 1
1 166 . 2 1 1 A 21 21 GLN HA H 21 4.591 4.646 -0.055 1
1 173 . 2 1 1 A 21 21 GLN C C 21 174.003 174.537 -0.534 1
1 174 . 2 1 1 A 21 21 GLN CA C 21 53.772 54.371 -0.599 1
1 175 . 2 1 1 A 21 21 GLN CB C 21 32.069 31.940 0.129 1
1 177 . 2 1 1 A 21 21 GLN N N 21 120.372 117.856 2.516 1
1 179 . 2 1 1 A 22 22 TRP H H 22 8.743 8.633 0.110 1
1 180 . 2 1 1 A 22 22 TRP HA H 22 4.690 4.813 -0.123 1
1 189 . 2 1 1 A 22 22 TRP C C 22 176.863 176.629 0.234 1
1 190 . 2 1 1 A 22 22 TRP CA C 22 57.062 58.021 -0.959 1
1 191 . 2 1 1 A 22 22 TRP CB C 22 29.323 29.697 -0.374 1
1 197 . 2 1 1 A 22 22 TRP N N 22 124.919 124.139 0.780 1
1 199 . 2 1 1 A 23 23 LYS H H 23 9.302 9.020 0.282 1
1 200 . 2 1 1 A 23 23 LYS HA H 23 4.798 4.877 -0.079 1
1 208 . 2 1 1 A 23 23 LYS C C 23 176.050 176.113 -0.063 1
1 209 . 2 1 1 A 23 23 LYS CA C 23 54.106 54.588 -0.482 1
1 210 . 2 1 1 A 23 23 LYS CB C 23 35.583 35.769 -0.186 1
1 214 . 2 1 1 A 23 23 LYS N N 23 124.474 124.487 -0.013 1
1 215 . 2 1 1 A 24 24 SER H H 24 8.740 8.800 -0.060 1
1 216 . 2 1 1 A 24 24 SER HA H 24 5.035 4.810 0.225 1
1 219 . 2 1 1 A 24 24 SER C C 24 175.905 173.962 1.943 1
1 220 . 2 1 1 A 24 24 SER CA C 24 58.857 59.183 -0.326 1
1 221 . 2 1 1 A 24 24 SER CB C 24 63.489 63.499 -0.010 1
1 222 . 2 1 1 A 24 24 SER N N 24 118.568 120.265 -1.697 1
1 223 . 2 1 1 A 25 25 ARG H H 25 9.302 8.811 0.491 1
1 224 . 2 1 1 A 25 25 ARG HA H 25 4.946 4.925 0.021 1
1 231 . 2 1 1 A 25 25 ARG C C 25 173.724 174.366 -0.642 1
1 232 . 2 1 1 A 25 25 ARG CA C 25 54.440 55.103 -0.663 1
1 233 . 2 1 1 A 25 25 ARG CB C 25 34.825 34.495 0.330 1
1 236 . 2 1 1 A 25 25 ARG N N 25 126.895 123.647 3.248 1
1 237 . 2 1 1 A 26 26 TRP H H 26 8.668 8.821 -0.153 1
1 238 . 2 1 1 A 26 26 TRP HA H 26 4.780 5.015 -0.235 1
1 247 . 2 1 1 A 26 26 TRP C C 26 175.796 174.942 0.854 1
1 248 . 2 1 1 A 26 26 TRP CA C 26 57.555 56.320 1.235 1
1 249 . 2 1 1 A 26 26 TRP CB C 26 29.833 30.256 -0.423 1
1 255 . 2 1 1 A 26 26 TRP N N 26 123.493 127.787 -4.294 1
1 257 . 2 1 1 A 27 27 CYS H H 27 8.884 8.545 0.339 1
1 258 . 2 1 1 A 27 27 CYS HA H 27 5.668 5.300 0.368 1
1 261 . 2 1 1 A 27 27 CYS C C 27 174.560 173.846 0.714 1
1 262 . 2 1 1 A 27 27 CYS CA C 27 58.184 57.089 1.095 1
1 263 . 2 1 1 A 27 27 CYS CB C 27 31.516 29.104 2.412 1
1 264 . 2 1 1 A 27 27 CYS N N 27 124.947 127.249 -2.302 1
1 265 . 2 1 1 A 28 28 SER H H 28 8.566 8.710 -0.144 1
1 266 . 2 1 1 A 28 28 SER HA H 28 5.240 5.197 0.043 1
1 269 . 2 1 1 A 28 28 SER C C 28 173.106 172.982 0.124 1
1 270 . 2 1 1 A 28 28 SER CA C 28 57.027 56.767 0.260 1
1 271 . 2 1 1 A 28 28 SER CB C 28 66.738 65.269 1.469 1
1 272 . 2 1 1 A 28 28 SER N N 28 114.751 119.845 -5.094 1
1 273 . 2 1 1 A 29 29 VAL H H 29 8.843 9.137 -0.294 1
1 274 . 2 1 1 A 29 29 VAL HA H 29 5.302 5.245 0.057 1
1 282 . 2 1 1 A 29 29 VAL C C 29 175.905 175.332 0.573 1
1 283 . 2 1 1 A 29 29 VAL CA C 29 61.233 61.652 -0.419 1
1 284 . 2 1 1 A 29 29 VAL CB C 29 32.832 33.011 -0.179 1
1 287 . 2 1 1 A 29 29 VAL N N 29 125.688 127.915 -2.227 1
1 288 . 2 1 1 A 30 30 ARG H H 30 8.964 9.363 -0.399 1
1 289 . 2 1 1 A 30 30 ARG HA H 30 4.620 4.562 0.058 1
1 295 . 2 1 1 A 30 30 ARG C C 30 176.160 175.395 0.765 1
1 296 . 2 1 1 A 30 30 ARG CA C 30 55.901 56.254 -0.353 1
1 297 . 2 1 1 A 30 30 ARG CB C 30 33.198 33.039 0.159 1
1 300 . 2 1 1 A 30 30 ARG N N 30 125.513 125.603 -0.090 1
1 301 . 2 1 1 A 31 31 ASP H H 31 9.773 9.721 0.052 1
1 302 . 2 1 1 A 31 31 ASP HA H 31 4.451 4.342 0.109 1
1 305 . 2 1 1 A 31 31 ASP C C 31 177.008 175.215 1.793 1
1 306 . 2 1 1 A 31 31 ASP CA C 31 55.936 55.256 0.680 1
1 307 . 2 1 1 A 31 31 ASP CB C 31 39.659 39.583 0.076 1
1 308 . 2 1 1 A 31 31 ASP N N 31 127.085 126.438 0.647 1
1 309 . 2 1 1 A 32 32 ASN H H 32 9.639 8.207 1.432 1
1 310 . 2 1 1 A 32 32 ASN HA H 32 4.535 4.276 0.259 1
1 315 . 2 1 1 A 32 32 ASN C C 32 172.766 173.630 -0.864 1
1 316 . 2 1 1 A 32 32 ASN CA C 32 55.549 54.589 0.960 1
1 317 . 2 1 1 A 32 32 ASN CB C 32 38.238 36.978 1.260 1
1 318 . 2 1 1 A 32 32 ASN N N 32 112.101 109.069 3.032 1
1 320 . 2 1 1 A 33 33 HIS H H 33 8.292 7.796 0.496 1
1 321 . 2 1 1 A 33 33 HIS HA H 33 5.368 5.470 -0.102 1
1 326 . 2 1 1 A 33 33 HIS C C 33 172.718 173.426 -0.708 1
1 327 . 2 1 1 A 33 33 HIS CA C 33 55.303 54.696 0.607 1
1 328 . 2 1 1 A 33 33 HIS CB C 33 32.851 34.367 -1.516 1
1 331 . 2 1 1 A 33 33 HIS N N 33 116.294 116.212 0.082 1
1 332 . 2 1 1 A 34 34 LEU H H 34 8.987 8.995 -0.008 1
1 333 . 2 1 1 A 34 34 LEU HA H 34 4.784 5.008 -0.224 1
1 342 . 2 1 1 A 34 34 LEU C C 34 173.240 175.378 -2.138 1
1 343 . 2 1 1 A 34 34 LEU CA C 34 53.719 53.423 0.296 1
1 344 . 2 1 1 A 34 34 LEU CB C 34 45.147 43.930 1.217 1
1 348 . 2 1 1 A 34 34 LEU N N 34 122.961 125.286 -2.325 1
1 349 . 2 1 1 A 35 35 HIS H H 35 9.169 9.665 -0.496 1
1 350 . 2 1 1 A 35 35 HIS HA H 35 4.713 5.077 -0.364 1
1 355 . 2 1 1 A 35 35 HIS C C 35 174.778 174.986 -0.208 1
1 356 . 2 1 1 A 35 35 HIS CA C 35 55.284 56.176 -0.892 1
1 357 . 2 1 1 A 35 35 HIS CB C 35 34.455 31.806 2.649 1
1 360 . 2 1 1 A 35 35 HIS N N 35 125.201 126.262 -1.061 1
1 361 . 2 1 1 A 36 36 PHE H H 36 9.522 8.821 0.701 1
1 362 . 2 1 1 A 36 36 PHE HA H 36 5.014 5.430 -0.416 1
1 370 . 2 1 1 A 36 36 PHE C C 36 174.911 174.010 0.901 1
1 371 . 2 1 1 A 36 36 PHE CA C 36 56.217 56.490 -0.273 1
1 372 . 2 1 1 A 36 36 PHE CB C 36 43.666 43.485 0.181 1
1 378 . 2 1 1 A 36 36 PHE N N 36 118.294 118.061 0.233 1
1 379 . 2 1 1 A 37 37 TYR H H 37 9.783 9.153 0.630 1
1 380 . 2 1 1 A 37 37 TYR HA H 37 5.453 5.100 0.353 1
1 387 . 2 1 1 A 37 37 TYR C C 37 176.475 174.947 1.528 1
1 388 . 2 1 1 A 37 37 TYR CA C 37 57.185 56.758 0.427 1
1 389 . 2 1 1 A 37 37 TYR CB C 37 41.569 43.388 -1.819 1
1 394 . 2 1 1 A 37 37 TYR N N 37 121.241 120.211 1.030 1
1 395 . 2 1 1 A 38 38 GLN H H 38 9.233 8.885 0.348 1
1 396 . 2 1 1 A 38 38 GLN HA H 38 4.480 4.818 -0.338 1
1 403 . 2 1 1 A 38 38 GLN C C 38 175.408 175.177 0.231 1
1 404 . 2 1 1 A 38 38 GLN CA C 38 57.977 55.509 2.468 1
1 405 . 2 1 1 A 38 38 GLN CB C 38 29.825 28.772 1.053 1
1 407 . 2 1 1 A 38 38 GLN N N 38 119.348 121.202 -1.854 1
1 409 . 2 1 1 A 39 39 ASP H H 39 8.674 8.314 0.360 1
1 410 . 2 1 1 A 39 39 ASP HA H 39 4.849 4.000 0.849 1
1 413 . 2 1 1 A 39 39 ASP CA C 39 52.402 55.017 -2.615 1
1 414 . 2 1 1 A 39 39 ASP CB C 39 43.525 38.790 4.735 1
1 415 . 2 1 1 A 40 40 ARG H H 40 7.823 7.807 0.016 1
1 416 . 2 1 1 A 40 40 ARG HA H 40 2.342 4.477 -2.135 1
1 423 . 2 1 1 A 40 40 ARG CA C 40 57.183 54.702 2.481 1
1 424 . 2 1 1 A 40 40 ARG CB C 40 29.300 29.688 -0.388 1
1 427 . 2 1 1 A 40 40 ARG N N 40 119.412 120.768 -1.356 1
1 428 . 2 1 1 A 41 41 ASN H H 41 7.601 8.687 -1.086 1
1 429 . 2 1 1 A 41 41 ASN HA H 41 4.408 4.235 0.173 1
1 434 . 2 1 1 A 41 41 ASN C C 41 174.584 174.437 0.147 1
1 435 . 2 1 1 A 41 41 ASN CA C 41 53.396 54.497 -1.101 1
1 436 . 2 1 1 A 41 41 ASN CB C 41 37.847 36.732 1.115 1
1 437 . 2 1 1 A 41 41 ASN N N 41 114.895 118.296 -3.401 1
1 439 . 2 1 1 A 42 42 ARG H H 42 7.927 8.220 -0.293 1
1 440 . 2 1 1 A 42 42 ARG HA H 42 3.271 4.005 -0.734 1
1 446 . 2 1 1 A 42 42 ARG CA C 42 57.164 57.184 -0.020 1
1 449 . 2 1 1 A 42 42 ARG N N 42 115.263 110.814 4.449 1
1 450 . 2 1 1 A 43 43 SER H H 43 9.112 7.721 1.391 1
1 451 . 2 1 1 A 43 43 SER HA H 43 4.444 4.555 -0.111 1
1 454 . 2 1 1 A 43 43 SER CA C 43 59.742 60.320 -0.578 1
1 455 . 2 1 1 A 43 43 SER CB C 43 64.693 64.384 0.309 1
1 456 . 2 1 1 A 43 43 SER N N 43 115.094 113.112 1.982 1
1 457 . 2 1 1 A 44 44 LYS H H 44 8.543 7.839 0.704 1
1 458 . 2 1 1 A 44 44 LYS HA H 44 4.784 4.481 0.303 1
1 464 . 2 1 1 A 44 44 LYS C C 44 175.723 175.178 0.545 1
1 465 . 2 1 1 A 44 44 LYS CA C 44 55.091 54.837 0.254 1
1 466 . 2 1 1 A 44 44 LYS CB C 44 34.642 32.478 2.164 1
1 470 . 2 1 1 A 45 45 VAL H H 45 8.965 8.301 0.664 1
1 471 . 2 1 1 A 45 45 VAL HA H 45 4.043 4.055 -0.012 1
1 479 . 2 1 1 A 45 45 VAL C C 45 176.656 177.142 -0.486 1
1 480 . 2 1 1 A 45 45 VAL CA C 45 63.883 62.336 1.547 1
1 481 . 2 1 1 A 45 45 VAL CB C 45 32.621 32.242 0.379 1
1 484 . 2 1 1 A 45 45 VAL N N 45 127.663 122.447 5.216 1
1 485 . 2 1 1 A 46 46 ALA H H 46 9.214 8.515 0.699 1
1 486 . 2 1 1 A 46 46 ALA HA H 46 4.523 4.082 0.441 1
1 490 . 2 1 1 A 46 46 ALA C C 46 176.560 177.184 -0.624 1
1 491 . 2 1 1 A 46 46 ALA CA C 46 52.610 54.978 -2.368 1
1 492 . 2 1 1 A 46 46 ALA CB C 46 20.929 19.296 1.633 1
1 493 . 2 1 1 A 46 46 ALA N N 46 129.165 127.073 2.092 1
1 494 . 2 1 1 A 47 47 GLN H H 47 7.504 7.603 -0.099 1
1 495 . 2 1 1 A 47 47 GLN HA H 47 4.494 4.517 -0.023 1
1 502 . 2 1 1 A 47 47 GLN C C 47 173.057 174.534 -1.477 1
1 503 . 2 1 1 A 47 47 GLN CA C 47 54.458 54.787 -0.329 1
1 504 . 2 1 1 A 47 47 GLN CB C 47 30.918 30.485 0.433 1
1 506 . 2 1 1 A 47 47 GLN N N 47 112.591 111.334 1.257 1
1 508 . 2 1 1 A 48 48 GLN H H 48 8.541 8.241 0.300 1
1 509 . 2 1 1 A 48 48 GLN HA H 48 4.420 4.478 -0.058 1
1 516 . 2 1 1 A 48 48 GLN C C 48 172.864 174.060 -1.196 1
1 517 . 2 1 1 A 48 48 GLN CA C 48 54.774 54.635 0.139 1
1 518 . 2 1 1 A 48 48 GLN CB C 48 28.017 27.889 0.128 1
1 520 . 2 1 1 A 48 48 GLN N N 48 120.933 120.114 0.819 1
1 522 . 2 1 1 A 49 49 PRO HA H 49 4.963 4.592 0.371 1
1 529 . 2 1 1 A 49 49 PRO C C 49 177.105 175.369 1.736 1
1 530 . 2 1 1 A 49 49 PRO CA C 49 63.010 62.330 0.680 1
1 531 . 2 1 1 A 49 49 PRO CB C 49 32.625 32.124 0.501 1
1 534 . 2 1 1 A 50 50 LEU H H 50 8.937 8.814 0.123 1
1 535 . 2 1 1 A 50 50 LEU HA H 50 4.742 5.097 -0.355 1
1 545 . 2 1 1 A 50 50 LEU C C 50 176.147 175.485 0.662 1
1 546 . 2 1 1 A 50 50 LEU CA C 50 53.120 53.369 -0.249 1
1 547 . 2 1 1 A 50 50 LEU CB C 50 45.352 44.452 0.900 1
1 551 . 2 1 1 A 50 50 LEU N N 50 121.454 121.951 -0.497 1
1 552 . 2 1 1 A 51 51 SER H H 51 8.771 8.853 -0.082 1
1 553 . 2 1 1 A 51 51 SER HA H 51 3.434 4.443 -1.009 1
1 556 . 2 1 1 A 51 51 SER C C 51 175.081 174.595 0.486 1
1 557 . 2 1 1 A 51 51 SER CA C 51 57.936 57.161 0.775 1
1 558 . 2 1 1 A 51 51 SER CB C 51 62.378 62.422 -0.044 1
1 559 . 2 1 1 A 51 51 SER N N 51 120.178 117.738 2.440 1
1 560 . 2 1 1 A 52 52 LEU H H 52 8.045 7.489 0.556 1
1 561 . 2 1 1 A 52 52 LEU HA H 52 4.443 3.961 0.482 1
1 571 . 2 1 1 A 52 52 LEU C C 52 177.916 177.760 0.156 1
1 572 . 2 1 1 A 52 52 LEU CA C 52 55.105 57.864 -2.759 1
1 573 . 2 1 1 A 52 52 LEU CB C 52 42.762 41.376 1.386 1
1 577 . 2 1 1 A 52 52 LEU N N 52 125.348 128.106 -2.758 1
1 578 . 2 1 1 A 53 53 VAL H H 53 7.418 7.386 0.032 1
1 579 . 2 1 1 A 53 53 VAL HA H 53 3.841 3.789 0.052 1
1 587 . 2 1 1 A 53 53 VAL C C 53 178.123 177.093 1.030 1
1 588 . 2 1 1 A 53 53 VAL CA C 53 64.893 64.773 0.120 1
1 589 . 2 1 1 A 53 53 VAL CB C 53 30.973 31.154 -0.181 1
1 592 . 2 1 1 A 53 53 VAL N N 53 119.590 118.578 1.012 1
1 593 . 2 1 1 A 54 54 GLY H H 54 9.187 8.807 0.380 1
1 594 . 2 1 1 A 54 54 GLY HA2 H 54 4.292 3.910 0.382 1
1 595 . 2 1 1 A 54 54 GLY HA3 H 54 3.934 3.997 -0.063 1
1 596 . 2 1 1 A 54 54 GLY C C 54 175.275 174.890 0.385 1
1 597 . 2 1 1 A 54 54 GLY CA C 54 45.906 44.926 0.980 1
1 598 . 2 1 1 A 54 54 GLY N N 54 115.764 114.856 0.908 1
1 599 . 2 1 1 A 55 55 CYS H H 55 7.871 8.228 -0.357 1
1 600 . 2 1 1 A 55 55 CYS HA H 55 5.052 4.606 0.446 1
1 603 . 2 1 1 A 55 55 CYS C C 55 174.112 173.593 0.519 1
1 604 . 2 1 1 A 55 55 CYS CA C 55 60.352 59.456 0.896 1
1 605 . 2 1 1 A 55 55 CYS CB C 55 28.779 29.335 -0.556 1
1 606 . 2 1 1 A 55 55 CYS N N 55 117.748 120.232 -2.484 1
1 607 . 2 1 1 A 56 56 GLU H H 56 9.140 8.643 0.497 1
1 608 . 2 1 1 A 56 56 GLU HA H 56 4.672 4.872 -0.200 1
1 612 . 2 1 1 A 56 56 GLU C C 56 175.105 174.483 0.622 1
1 613 . 2 1 1 A 56 56 GLU CA C 56 55.179 55.373 -0.194 1
1 614 . 2 1 1 A 56 56 GLU CB C 56 33.097 33.571 -0.474 1
1 616 . 2 1 1 A 56 56 GLU N N 56 120.179 122.076 -1.897 1
1 617 . 2 1 1 A 57 57 VAL H H 57 8.385 8.942 -0.557 1
1 618 . 2 1 1 A 57 57 VAL HA H 57 5.238 4.774 0.464 1
1 626 . 2 1 1 A 57 57 VAL C C 57 175.238 175.901 -0.663 1
1 627 . 2 1 1 A 57 57 VAL CA C 57 61.064 62.172 -1.108 1
1 628 . 2 1 1 A 57 57 VAL CB C 57 33.429 31.850 1.579 1
1 631 . 2 1 1 A 57 57 VAL N N 57 122.535 127.602 -5.067 1
1 632 . 2 1 1 A 58 58 VAL H H 58 8.884 9.143 -0.259 1
1 633 . 2 1 1 A 58 58 VAL HA H 58 5.053 4.910 0.143 1
1 641 . 2 1 1 A 58 58 VAL C C 58 174.027 173.677 0.350 1
1 642 . 2 1 1 A 58 58 VAL CA C 58 57.977 57.950 0.027 1
1 643 . 2 1 1 A 58 58 VAL CB C 58 35.583 34.228 1.355 1
1 646 . 2 1 1 A 58 58 VAL N N 58 122.081 122.042 0.039 1
1 647 . 2 1 1 A 59 59 PRO HA H 59 4.573 4.911 -0.338 1
1 654 . 2 1 1 A 59 59 PRO C C 59 175.457 175.161 0.296 1
1 655 . 2 1 1 A 59 59 PRO CA C 59 63.643 62.321 1.322 1
1 656 . 2 1 1 A 59 59 PRO CB C 59 32.915 29.856 3.059 1
1 659 . 2 1 1 A 60 60 ASP H H 60 8.989 8.413 0.576 1
1 660 . 2 1 1 A 60 60 ASP HA H 60 5.179 5.304 -0.125 1
1 663 . 2 1 1 A 60 60 ASP C C 60 172.742 174.153 -1.411 1
1 664 . 2 1 1 A 60 60 ASP CA C 60 52.698 50.915 1.783 1
1 665 . 2 1 1 A 60 60 ASP CB C 60 43.314 41.423 1.891 1
1 666 . 2 1 1 A 60 60 ASP N N 60 122.718 123.850 -1.132 1
1 667 . 2 1 1 A 61 61 PRO HA H 61 4.681 4.718 -0.037 1
1 674 . 2 1 1 A 61 61 PRO C C 61 177.420 175.499 1.921 1
1 675 . 2 1 1 A 61 61 PRO CA C 61 63.594 62.563 1.031 1
1 676 . 2 1 1 A 61 61 PRO CB C 61 32.950 32.612 0.338 1
1 679 . 2 1 1 A 62 62 SER H H 62 7.803 8.187 -0.384 1
1 680 . 2 1 1 A 62 62 SER HA H 62 4.797 4.989 -0.192 1
1 683 . 2 1 1 A 62 62 SER C C 62 174.851 174.931 -0.080 1
1 684 . 2 1 1 A 62 62 SER CA C 62 56.896 55.941 0.955 1
1 685 . 2 1 1 A 62 62 SER CB C 62 63.959 65.175 -1.216 1
1 686 . 2 1 1 A 62 62 SER N N 62 115.582 116.088 -0.506 1
1 687 . 2 1 1 A 63 63 PRO HA H 63 4.089 4.495 -0.406 1
1 694 . 2 1 1 A 63 63 PRO C C 63 177.105 176.609 0.496 1
1 695 . 2 1 1 A 63 63 PRO CA C 63 66.024 64.125 1.899 1
1 696 . 2 1 1 A 63 63 PRO CB C 63 31.763 31.471 0.292 1
1 699 . 2 1 1 A 64 64 ASP H H 64 8.361 8.394 -0.033 1
1 700 . 2 1 1 A 64 64 ASP HA H 64 4.290 4.857 -0.567 1
1 703 . 2 1 1 A 64 64 ASP C C 64 174.802 175.075 -0.273 1
1 704 . 2 1 1 A 64 64 ASP CA C 64 54.458 53.751 0.707 1
1 705 . 2 1 1 A 64 64 ASP CB C 64 40.481 43.044 -2.563 1
1 706 . 2 1 1 A 64 64 ASP N N 64 111.867 117.628 -5.761 1
1 707 . 2 1 1 A 65 65 HIS H H 65 7.781 7.335 0.446 1
1 708 . 2 1 1 A 65 65 HIS HA H 65 4.558 4.614 -0.056 1
1 713 . 2 1 1 A 65 65 HIS C C 65 174.972 174.584 0.388 1
1 714 . 2 1 1 A 65 65 HIS CA C 65 54.370 54.421 -0.051 1
1 715 . 2 1 1 A 65 65 HIS CB C 65 28.450 31.589 -3.139 1
1 718 . 2 1 1 A 65 65 HIS N N 65 120.793 115.782 5.011 1
1 719 . 2 1 1 A 66 66 LEU H H 66 8.206 8.104 0.102 1
1 720 . 2 1 1 A 66 66 LEU HA H 66 3.893 4.200 -0.307 1
1 730 . 2 1 1 A 66 66 LEU C C 66 178.826 176.268 2.558 1
1 731 . 2 1 1 A 66 66 LEU CA C 66 57.857 54.765 3.092 1
1 732 . 2 1 1 A 66 66 LEU CB C 66 42.245 41.199 1.046 1
1 736 . 2 1 1 A 66 66 LEU N N 66 124.390 124.722 -0.332 1
1 737 . 2 1 1 A 67 67 TYR H H 67 8.612 7.666 0.946 1
1 738 . 2 1 1 A 67 67 TYR HA H 67 5.417 4.887 0.530 1
1 745 . 2 1 1 A 67 67 TYR C C 67 176.403 174.446 1.957 1
1 746 . 2 1 1 A 67 67 TYR CA C 67 55.320 56.962 -1.642 1
1 747 . 2 1 1 A 67 67 TYR CB C 67 35.524 37.190 -1.666 1
1 752 . 2 1 1 A 67 67 TYR N N 67 118.042 118.876 -0.834 1
1 753 . 2 1 1 A 68 68 SER H H 68 6.652 7.893 -1.241 1
1 754 . 2 1 1 A 68 68 SER HA H 68 5.742 4.986 0.756 1
1 757 . 2 1 1 A 68 68 SER C C 68 174.827 173.548 1.279 1
1 758 . 2 1 1 A 68 68 SER CA C 68 56.147 56.575 -0.428 1
1 759 . 2 1 1 A 68 68 SER CB C 68 65.504 65.890 -0.386 1
1 760 . 2 1 1 A 68 68 SER N N 68 111.076 112.453 -1.377 1
1 761 . 2 1 1 A 69 69 PHE H H 69 9.089 7.889 1.200 1
1 762 . 2 1 1 A 69 69 PHE HA H 69 5.212 5.719 -0.507 1
1 770 . 2 1 1 A 69 69 PHE C C 69 171.676 172.871 -1.195 1
1 771 . 2 1 1 A 69 69 PHE CA C 69 55.918 55.120 0.798 1
1 772 . 2 1 1 A 69 69 PHE CB C 69 41.034 42.309 -1.275 1
1 778 . 2 1 1 A 69 69 PHE N N 69 121.539 118.202 3.337 1
1 779 . 2 1 1 A 70 70 ARG H H 70 9.299 9.063 0.236 1
1 780 . 2 1 1 A 70 70 ARG HA H 70 5.333 5.185 0.148 1
1 787 . 2 1 1 A 70 70 ARG C C 70 174.197 174.235 -0.038 1
1 788 . 2 1 1 A 70 70 ARG CA C 70 54.198 54.383 -0.185 1
1 789 . 2 1 1 A 70 70 ARG CB C 70 35.236 34.167 1.069 1
1 792 . 2 1 1 A 70 70 ARG N N 70 117.458 118.093 -0.635 1
1 794 . 2 1 1 A 71 71 ILE H H 71 8.505 9.059 -0.554 1
1 795 . 2 1 1 A 71 71 ILE HA H 71 4.974 5.365 -0.391 1
1 805 . 2 1 1 A 71 71 ILE C C 71 174.996 175.358 -0.362 1
1 806 . 2 1 1 A 71 71 ILE CA C 71 60.622 59.660 0.962 1
1 807 . 2 1 1 A 71 71 ILE CB C 71 39.636 40.468 -0.832 1
1 811 . 2 1 1 A 71 71 ILE N N 71 119.757 122.959 -3.202 1
1 812 . 2 1 1 A 72 72 LEU H H 72 9.488 9.165 0.323 1
1 813 . 2 1 1 A 72 72 LEU HA H 72 5.473 5.403 0.070 1
1 823 . 2 1 1 A 72 72 LEU C C 72 176.172 176.401 -0.229 1
1 824 . 2 1 1 A 72 72 LEU CA C 72 53.507 53.993 -0.486 1
1 825 . 2 1 1 A 72 72 LEU CB C 72 46.393 45.922 0.471 1
1 829 . 2 1 1 A 72 72 LEU N N 72 128.277 126.770 1.507 1
1 830 . 2 1 1 A 73 73 HIS H H 73 9.087 8.730 0.357 1
1 831 . 2 1 1 A 73 73 HIS HA H 73 4.888 4.561 0.327 1
1 836 . 2 1 1 A 73 73 HIS C C 73 175.118 175.830 -0.712 1
1 837 . 2 1 1 A 73 73 HIS CA C 73 56.675 58.342 -1.667 1
1 838 . 2 1 1 A 73 73 HIS CB C 73 32.933 31.087 1.846 1
1 841 . 2 1 1 A 73 73 HIS N N 73 119.084 123.026 -3.942 1
1 842 . 2 1 1 A 74 74 LYS H H 74 9.551 7.916 1.635 1
1 843 . 2 1 1 A 74 74 LYS HA H 74 3.763 4.288 -0.525 1
1 852 . 2 1 1 A 74 74 LYS C C 74 176.851 176.555 0.296 1
1 853 . 2 1 1 A 74 74 LYS CA C 74 56.969 55.133 1.836 1
1 854 . 2 1 1 A 74 74 LYS CB C 74 29.766 32.503 -2.737 1
1 858 . 2 1 1 A 74 74 LYS N N 74 128.764 116.860 11.904 1
1 859 . 2 1 1 A 75 75 GLY H H 75 8.877 8.051 0.826 1
1 860 . 2 1 1 A 75 75 GLY HA2 H 75 3.523 3.922 -0.399 1
1 861 . 2 1 1 A 75 75 GLY HA3 H 75 4.213 3.936 0.277 1
1 862 . 2 1 1 A 75 75 GLY C C 75 173.566 174.003 -0.437 1
1 863 . 2 1 1 A 75 75 GLY CA C 75 45.346 45.179 0.167 1
1 864 . 2 1 1 A 75 75 GLY N N 75 104.552 108.093 -3.541 1
1 865 . 2 1 1 A 76 76 GLU H H 76 7.922 7.817 0.105 1
1 866 . 2 1 1 A 76 76 GLU HA H 76 4.491 4.709 -0.218 1
1 871 . 2 1 1 A 76 76 GLU C C 76 175.651 174.845 0.806 1
1 872 . 2 1 1 A 76 76 GLU CA C 76 54.721 55.189 -0.468 1
1 873 . 2 1 1 A 76 76 GLU CB C 76 31.187 31.755 -0.568 1
1 875 . 2 1 1 A 76 76 GLU N N 76 121.492 119.963 1.529 1
1 876 . 2 1 1 A 77 77 GLU H H 77 8.925 8.640 0.285 1
1 877 . 2 1 1 A 77 77 GLU HA H 77 4.309 4.703 -0.394 1
1 881 . 2 1 1 A 77 77 GLU C C 77 175.857 175.376 0.481 1
1 882 . 2 1 1 A 77 77 GLU CA C 77 57.412 55.263 2.149 1
1 883 . 2 1 1 A 77 77 GLU CB C 77 31.146 31.143 0.003 1
1 885 . 2 1 1 A 77 77 GLU N N 77 125.541 121.224 4.317 1
1 886 . 2 1 1 A 78 78 LEU H H 78 9.475 9.383 0.092 1
1 887 . 2 1 1 A 78 78 LEU HA H 78 4.513 4.426 0.087 1
1 897 . 2 1 1 A 78 78 LEU C C 78 177.541 176.776 0.765 1
1 898 . 2 1 1 A 78 78 LEU CA C 78 55.443 56.041 -0.598 1
1 899 . 2 1 1 A 78 78 LEU CB C 78 43.776 42.550 1.226 1
1 903 . 2 1 1 A 78 78 LEU N N 78 128.715 128.630 0.085 1
1 904 . 2 1 1 A 79 79 ALA H H 79 7.550 7.567 -0.017 1
1 905 . 2 1 1 A 79 79 ALA HA H 79 4.503 4.706 -0.203 1
1 909 . 2 1 1 A 79 79 ALA C C 79 174.342 174.913 -0.571 1
1 910 . 2 1 1 A 79 79 ALA CA C 79 51.906 51.426 0.480 1
1 911 . 2 1 1 A 79 79 ALA CB C 79 22.017 22.861 -0.844 1
1 912 . 2 1 1 A 79 79 ALA N N 79 116.317 116.764 -0.447 1
1 913 . 2 1 1 A 80 80 LYS H H 80 8.743 8.761 -0.018 1
1 914 . 2 1 1 A 80 80 LYS HA H 80 4.725 5.097 -0.372 1
1 923 . 2 1 1 A 80 80 LYS C C 80 172.973 174.920 -1.947 1
1 924 . 2 1 1 A 80 80 LYS CA C 80 56.604 54.779 1.825 1
1 925 . 2 1 1 A 80 80 LYS CB C 80 34.331 35.347 -1.016 1
1 929 . 2 1 1 A 80 80 LYS N N 80 123.623 121.867 1.756 1
1 930 . 2 1 1 A 81 81 LEU H H 81 8.504 8.642 -0.138 1
1 931 . 2 1 1 A 81 81 LEU HA H 81 5.531 5.442 0.089 1
1 941 . 2 1 1 A 81 81 LEU C C 81 176.366 175.264 1.102 1
1 942 . 2 1 1 A 81 81 LEU CA C 81 53.665 52.990 0.675 1
1 943 . 2 1 1 A 81 81 LEU CB C 81 45.969 45.214 0.755 1
1 947 . 2 1 1 A 81 81 LEU N N 81 124.594 128.105 -3.511 1
1 948 . 2 1 1 A 82 82 GLU H H 82 9.018 8.208 0.810 1
1 949 . 2 1 1 A 82 82 GLU HA H 82 4.826 4.443 0.383 1
1 954 . 2 1 1 A 82 82 GLU C C 82 174.439 175.268 -0.829 1
1 955 . 2 1 1 A 82 82 GLU CA C 82 56.376 54.641 1.735 1
1 956 . 2 1 1 A 82 82 GLU CB C 82 32.852 32.877 -0.025 1
1 958 . 2 1 1 A 82 82 GLU N N 82 118.819 121.299 -2.480 1
1 959 . 2 1 1 A 83 83 ALA H H 83 8.027 8.638 -0.611 1
1 960 . 2 1 1 A 83 83 ALA HA H 83 4.980 4.583 0.397 1
1 964 . 2 1 1 A 83 83 ALA C C 83 176.439 179.162 -2.723 1
1 965 . 2 1 1 A 83 83 ALA CA C 83 50.059 50.764 -0.705 1
1 966 . 2 1 1 A 83 83 ALA CB C 83 21.702 20.849 0.853 1
1 967 . 2 1 1 A 83 83 ALA N N 83 127.765 128.044 -0.279 1
1 968 . 2 1 1 A 84 84 LYS H H 84 9.017 8.260 0.757 1
1 969 . 2 1 1 A 84 84 LYS HA H 84 4.432 4.475 -0.043 1
1 977 . 2 1 1 A 84 84 LYS C C 84 175.930 176.299 -0.369 1
1 978 . 2 1 1 A 84 84 LYS CA C 84 56.956 57.083 -0.127 1
1 979 . 2 1 1 A 84 84 LYS CB C 84 32.974 33.813 -0.839 1
1 983 . 2 1 1 A 84 84 LYS N N 84 115.456 116.546 -1.090 1
1 984 . 2 1 1 A 85 85 SER H H 85 7.324 7.675 -0.351 1
1 985 . 2 1 1 A 85 85 SER HA H 85 4.074 4.275 -0.201 1
1 988 . 2 1 1 A 85 85 SER C C 85 173.421 174.313 -0.892 1
1 989 . 2 1 1 A 85 85 SER CA C 85 56.038 55.744 0.294 1
1 990 . 2 1 1 A 85 85 SER CB C 85 66.506 65.145 1.361 1
1 991 . 2 1 1 A 85 85 SER N N 85 110.261 115.000 -4.739 1
1 992 . 2 1 1 A 86 86 SER H H 86 8.610 7.923 0.687 1
1 993 . 2 1 1 A 86 86 SER HA H 86 3.648 3.935 -0.287 1
1 996 . 2 1 1 A 86 86 SER C C 86 177.784 176.558 1.226 1
1 997 . 2 1 1 A 86 86 SER CA C 86 61.391 61.614 -0.223 1
1 998 . 2 1 1 A 86 86 SER CB C 86 62.378 62.316 0.062 1
1 999 . 2 1 1 A 86 86 SER N N 86 117.136 117.679 -0.543 1
1 1000 . 2 1 1 A 87 87 GLU H H 87 8.890 7.768 1.122 1
1 1001 . 2 1 1 A 87 87 GLU HA H 87 4.031 4.009 0.022 1
1 1006 . 2 1 1 A 87 87 GLU C C 87 179.492 178.566 0.926 1
1 1007 . 2 1 1 A 87 87 GLU CA C 87 59.983 59.057 0.926 1
1 1008 . 2 1 1 A 87 87 GLU CB C 87 28.969 29.306 -0.337 1
1 1010 . 2 1 1 A 87 87 GLU N N 87 123.189 122.084 1.105 1
1 1011 . 2 1 1 A 88 88 GLU H H 88 8.015 8.174 -0.159 1
1 1012 . 2 1 1 A 88 88 GLU HA H 88 4.243 4.125 0.118 1
1 1017 . 2 1 1 A 88 88 GLU C C 88 178.472 178.792 -0.320 1
1 1018 . 2 1 1 A 88 88 GLU CA C 88 59.642 59.349 0.293 1
1 1019 . 2 1 1 A 88 88 GLU CB C 88 31.016 29.035 1.981 1
1 1021 . 2 1 1 A 88 88 GLU N N 88 121.015 119.780 1.235 1
1 1022 . 2 1 1 A 89 89 MET H H 89 8.334 8.479 -0.145 1
1 1023 . 2 1 1 A 89 89 MET HA H 89 3.843 4.494 -0.651 1
1 1030 . 2 1 1 A 89 89 MET C C 89 177.396 178.785 -1.389 1
1 1031 . 2 1 1 A 89 89 MET CA C 89 60.458 58.040 2.418 1
1 1032 . 2 1 1 A 89 89 MET CB C 89 32.481 32.518 -0.037 1
1 1035 . 2 1 1 A 89 89 MET N N 89 119.764 118.932 0.832 1
1 1036 . 2 1 1 A 90 90 GLY H H 90 8.452 8.157 0.295 1
1 1037 . 2 1 1 A 90 90 GLY HA2 H 90 4.008 3.709 0.299 1
1 1038 . 2 1 1 A 90 90 GLY HA3 H 90 3.723 3.727 -0.004 1
1 1039 . 2 1 1 A 90 90 GLY C C 90 176.814 175.546 1.268 1
1 1040 . 2 1 1 A 90 90 GLY CA C 90 47.489 46.827 0.662 1
1 1041 . 2 1 1 A 90 90 GLY N N 90 105.180 108.572 -3.392 1
1 1042 . 2 1 1 A 91 91 HIS H H 91 7.919 8.211 -0.292 1
1 1043 . 2 1 1 A 91 91 HIS HA H 91 4.329 4.160 0.169 1
1 1048 . 2 1 1 A 91 91 HIS C C 91 178.208 177.135 1.073 1
1 1049 . 2 1 1 A 91 91 HIS CA C 91 59.367 58.863 0.504 1
1 1050 . 2 1 1 A 91 91 HIS CB C 91 30.612 29.733 0.879 1
1 1053 . 2 1 1 A 91 91 HIS N N 91 121.929 121.267 0.662 1
1 1054 . 2 1 1 A 92 92 TRP H H 92 8.199 7.451 0.748 1
1 1055 . 2 1 1 A 92 92 TRP HA H 92 3.829 4.160 -0.331 1
1 1064 . 2 1 1 A 92 92 TRP C C 92 178.257 178.463 -0.206 1
1 1065 . 2 1 1 A 92 92 TRP CA C 92 62.464 59.772 2.692 1
1 1066 . 2 1 1 A 92 92 TRP CB C 92 29.190 29.885 -0.695 1
1 1072 . 2 1 1 A 92 92 TRP N N 92 120.070 118.013 2.057 1
1 1074 . 2 1 1 A 93 93 LEU H H 93 8.740 7.935 0.805 1
1 1075 . 2 1 1 A 93 93 LEU HA H 93 3.695 3.622 0.073 1
1 1085 . 2 1 1 A 93 93 LEU C C 93 179.105 179.186 -0.081 1
1 1086 . 2 1 1 A 93 93 LEU CA C 93 59.076 58.199 0.877 1
1 1087 . 2 1 1 A 93 93 LEU CB C 93 40.993 41.636 -0.643 1
1 1091 . 2 1 1 A 93 93 LEU N N 93 119.445 119.910 -0.465 1
1 1092 . 2 1 1 A 94 94 GLY H H 94 7.616 8.035 -0.419 1
1 1093 . 2 1 1 A 94 94 GLY HA2 H 94 3.852 3.600 0.252 1
1 1094 . 2 1 1 A 94 94 GLY HA3 H 94 3.759 3.620 0.139 1
1 1095 . 2 1 1 A 94 94 GLY C C 94 176.693 175.407 1.286 1
1 1096 . 2 1 1 A 94 94 GLY CA C 94 47.120 47.194 -0.074 1
1 1097 . 2 1 1 A 94 94 GLY N N 94 102.951 105.451 -2.500 1
1 1098 . 2 1 1 A 95 95 LEU H H 95 7.853 7.947 -0.094 1
1 1099 . 2 1 1 A 95 95 LEU HA H 95 4.024 3.796 0.228 1
1 1109 . 2 1 1 A 95 95 LEU C C 95 179.589 178.388 1.201 1
1 1110 . 2 1 1 A 95 95 LEU CA C 95 57.678 57.505 0.173 1
1 1111 . 2 1 1 A 95 95 LEU CB C 95 42.533 41.321 1.212 1
1 1115 . 2 1 1 A 95 95 LEU N N 95 123.479 122.749 0.730 1
1 1116 . 2 1 1 A 96 96 LEU H H 96 8.649 8.485 0.164 1
1 1117 . 2 1 1 A 96 96 LEU HA H 96 3.971 4.002 -0.031 1
1 1127 . 2 1 1 A 96 96 LEU C C 96 179.068 179.064 0.004 1
1 1128 . 2 1 1 A 96 96 LEU CA C 96 57.906 57.910 -0.004 1
1 1129 . 2 1 1 A 96 96 LEU CB C 96 42.104 41.648 0.456 1
1 1133 . 2 1 1 A 96 96 LEU N N 96 118.046 118.705 -0.659 1
1 1134 . 2 1 1 A 97 97 LEU H H 97 8.198 8.191 0.007 1
1 1135 . 2 1 1 A 97 97 LEU HA H 97 4.234 3.987 0.247 1
1 1145 . 2 1 1 A 97 97 LEU C C 97 180.177 179.132 1.045 1
1 1146 . 2 1 1 A 97 97 LEU CA C 97 57.361 58.019 -0.658 1
1 1147 . 2 1 1 A 97 97 LEU CB C 97 41.611 41.428 0.183 1
1 1151 . 2 1 1 A 97 97 LEU N N 97 118.670 118.799 -0.129 1
1 1152 . 2 1 1 A 98 98 SER H H 98 7.818 7.987 -0.169 1
1 1153 . 2 1 1 A 98 98 SER HA H 98 4.328 4.013 0.315 1
1 1156 . 2 1 1 A 98 98 SER C C 98 176.863 177.285 -0.422 1
1 1157 . 2 1 1 A 98 98 SER CA C 98 61.004 61.567 -0.563 1
1 1158 . 2 1 1 A 98 98 SER CB C 98 63.322 62.866 0.456 1
1 1159 . 2 1 1 A 98 98 SER N N 98 115.679 113.696 1.983 1
1 1160 . 2 1 1 A 99 99 GLU H H 99 8.003 7.385 0.618 1
1 1161 . 2 1 1 A 99 99 GLU HA H 99 4.193 4.077 0.116 1
1 1166 . 2 1 1 A 99 99 GLU C C 99 177.226 176.781 0.445 1
1 1167 . 2 1 1 A 99 99 GLU CA C 99 57.449 58.934 -1.485 1
1 1168 . 2 1 1 A 99 99 GLU CB C 99 30.260 29.654 0.606 1
1 1170 . 2 1 1 A 99 99 GLU N N 99 120.518 121.433 -0.915 1
1 1171 . 2 1 1 A 100 100 SER H H 100 7.892 7.988 -0.096 1
1 1172 . 2 1 1 A 100 100 SER HA H 100 4.582 4.419 0.163 1
1 1175 . 2 1 1 A 100 100 SER C C 100 175.881 174.609 1.272 1
1 1176 . 2 1 1 A 100 100 SER CA C 100 59.561 58.053 1.508 1
1 1177 . 2 1 1 A 100 100 SER CB C 100 64.188 64.538 -0.350 1
1 1178 . 2 1 1 A 100 100 SER N N 100 113.686 113.116 0.570 1
1 1179 . 2 1 1 A 101 101 GLY H H 101 7.861 8.817 -0.956 1
1 1180 . 2 1 1 A 101 101 GLY HA2 H 101 4.114 3.783 0.331 1
1 1181 . 2 1 1 A 101 101 GLY HA3 H 101 4.063 3.787 0.276 1
1 1182 . 2 1 1 A 101 101 GLY C C 101 174.076 173.831 0.245 1
1 1183 . 2 1 1 A 101 101 GLY CA C 101 45.501 46.535 -1.034 1
1 1184 . 2 1 1 A 101 101 GLY N N 101 109.148 110.917 -1.769 1
1 1185 . 2 1 1 A 102 102 SER H H 102 8.260 8.343 -0.083 1
1 1186 . 2 1 1 A 102 102 SER HA H 102 4.543 5.193 -0.650 1
1 1189 . 2 1 1 A 102 102 SER C C 102 174.851 174.348 0.503 1
1 1190 . 2 1 1 A 102 102 SER CA C 102 58.646 56.546 2.100 1
1 1191 . 2 1 1 A 102 102 SER CB C 102 64.211 65.411 -1.200 1
1 1192 . 2 1 1 A 102 102 SER N N 102 116.298 119.765 -3.467 1
1 1193 . 2 1 1 A 103 103 GLY H H 103 8.252 8.406 -0.154 1
1 1194 . 2 1 1 A 103 103 GLY HA2 H 103 4.173 3.946 0.227 1
1 1195 . 2 1 1 A 103 103 GLY HA3 H 103 4.074 3.948 0.126 1
1 1196 . 2 1 1 A 103 103 GLY C C 103 171.773 173.607 -1.834 1
1 1197 . 2 1 1 A 103 103 GLY CA C 103 44.777 45.299 -0.522 1
1 1198 . 2 1 1 A 103 103 GLY N N 103 110.162 114.454 -4.292 1
1 1199 . 2 1 1 A 104 104 PRO HA H 104 4.515 4.731 -0.216 1
1 1206 . 2 1 1 A 104 104 PRO CA C 104 63.224 62.604 0.620 1
1 1207 . 2 1 1 A 104 104 PRO CB C 104 32.174 32.247 -0.073 1
1 1210 . 2 1 1 A 105 105 SER H H 105 8.559 8.895 -0.336 1
1 1211 . 2 1 1 A 105 105 SER CA C 105 60.998 57.399 3.599 1
1 1212 . 2 1 1 A 105 105 SER CB C 105 63.768 65.175 -1.407 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.952 3.720 0.232 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.952 3.729 0.223 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.197 175.284 -1.087 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.378 46.916 -1.538 1
1 5 . 3 1 1 A 8 8 LEU H H 8 8.030 8.059 -0.029 1
1 6 . 3 1 1 A 8 8 LEU HA H 8 4.321 3.944 0.377 1
1 16 . 3 1 1 A 8 8 LEU C C 8 177.468 176.655 0.813 1
1 17 . 3 1 1 A 8 8 LEU CA C 8 55.320 55.745 -0.425 1
1 18 . 3 1 1 A 8 8 LEU CB C 8 42.556 40.841 1.715 1
1 22 . 3 1 1 A 8 8 LEU N N 8 121.494 121.500 -0.006 1
1 23 . 3 1 1 A 9 9 GLU H H 9 8.577 7.951 0.626 1
1 24 . 3 1 1 A 9 9 GLU HA H 9 4.454 4.185 0.269 1
1 29 . 3 1 1 A 9 9 GLU C C 9 177.056 177.549 -0.493 1
1 30 . 3 1 1 A 9 9 GLU CA C 9 56.956 57.973 -1.017 1
1 31 . 3 1 1 A 9 9 GLU CB C 9 30.237 30.876 -0.639 1
1 33 . 3 1 1 A 9 9 GLU N N 9 121.449 120.262 1.187 1
1 34 . 3 1 1 A 10 10 THR H H 10 8.189 7.530 0.659 1
1 35 . 3 1 1 A 10 10 THR HA H 10 4.323 4.516 -0.193 1
1 40 . 3 1 1 A 10 10 THR CA C 10 62.062 60.475 1.587 1
1 41 . 3 1 1 A 10 10 THR CB C 10 69.441 68.870 0.571 1
1 43 . 3 1 1 A 10 10 THR N N 10 113.730 107.657 6.073 1
1 44 . 3 1 1 A 11 11 SER H H 11 7.883 7.627 0.256 1
1 45 . 3 1 1 A 11 11 SER HA H 11 5.249 5.083 0.166 1
1 48 . 3 1 1 A 11 11 SER CA C 11 57.852 57.761 0.091 1
1 49 . 3 1 1 A 11 11 SER CB C 11 65.426 65.846 -0.420 1
1 50 . 3 1 1 A 12 12 SER H H 12 8.413 8.699 -0.286 1
1 51 . 3 1 1 A 12 12 SER HA H 12 4.467 4.632 -0.165 1
1 54 . 3 1 1 A 12 12 SER CA C 12 58.741 56.982 1.759 1
1 55 . 3 1 1 A 12 12 SER CB C 12 65.239 66.944 -1.705 1
1 56 . 3 1 1 A 12 12 SER N N 12 116.995 117.363 -0.368 1
1 57 . 3 1 1 A 13 13 TYR H H 13 8.156 8.025 0.131 1
1 58 . 3 1 1 A 13 13 TYR HA H 13 4.936 4.244 0.692 1
1 65 . 3 1 1 A 13 13 TYR CA C 13 58.533 59.068 -0.535 1
1 68 . 3 1 1 A 13 13 TYR N N 13 121.972 126.073 -4.101 1
1 69 . 3 1 1 A 14 14 LEU H H 14 8.803 8.441 0.362 1
1 70 . 3 1 1 A 14 14 LEU HA H 14 4.573 4.919 -0.346 1
1 80 . 3 1 1 A 14 14 LEU C C 14 175.845 175.777 0.068 1
1 81 . 3 1 1 A 14 14 LEU CA C 14 54.141 53.147 0.994 1
1 82 . 3 1 1 A 14 14 LEU CB C 14 46.603 44.625 1.978 1
1 86 . 3 1 1 A 14 14 LEU N N 14 123.967 125.687 -1.720 1
1 87 . 3 1 1 A 15 15 ASN H H 15 8.090 8.894 -0.804 1
1 88 . 3 1 1 A 15 15 ASN HA H 15 5.669 5.591 0.078 1
1 93 . 3 1 1 A 15 15 ASN C C 15 174.972 174.247 0.725 1
1 94 . 3 1 1 A 15 15 ASN CA C 15 51.589 52.659 -1.070 1
1 95 . 3 1 1 A 15 15 ASN CB C 15 40.317 39.365 0.952 1
1 96 . 3 1 1 A 15 15 ASN N N 15 117.248 120.142 -2.894 1
1 98 . 3 1 1 A 16 16 VAL H H 16 9.452 8.353 1.099 1
1 99 . 3 1 1 A 16 16 VAL HA H 16 4.743 4.844 -0.101 1
1 107 . 3 1 1 A 16 16 VAL C C 16 174.269 176.175 -1.906 1
1 108 . 3 1 1 A 16 16 VAL CA C 16 60.574 61.929 -1.355 1
1 109 . 3 1 1 A 16 16 VAL CB C 16 35.194 32.268 2.926 1
1 112 . 3 1 1 A 16 16 VAL N N 16 122.909 125.618 -2.709 1
1 113 . 3 1 1 A 17 17 LEU H H 17 7.892 8.438 -0.546 1
1 114 . 3 1 1 A 17 17 LEU HA H 17 3.679 3.709 -0.030 1
1 124 . 3 1 1 A 17 17 LEU C C 17 175.747 175.219 0.528 1
1 125 . 3 1 1 A 17 17 LEU CA C 17 54.493 56.243 -1.750 1
1 126 . 3 1 1 A 17 17 LEU CB C 17 40.541 42.178 -1.637 1
1 130 . 3 1 1 A 17 17 LEU N N 17 130.093 130.684 -0.591 1
1 131 . 3 1 1 A 18 18 VAL H H 18 8.923 8.675 0.248 1
1 132 . 3 1 1 A 18 18 VAL HA H 18 4.053 4.323 -0.270 1
1 140 . 3 1 1 A 18 18 VAL C C 18 175.869 176.109 -0.240 1
1 141 . 3 1 1 A 18 18 VAL CA C 18 61.285 61.270 0.015 1
1 142 . 3 1 1 A 18 18 VAL CB C 18 33.609 34.227 -0.618 1
1 145 . 3 1 1 A 18 18 VAL N N 18 130.417 127.834 2.583 1
1 146 . 3 1 1 A 19 19 ASN H H 19 9.323 9.486 -0.163 1
1 147 . 3 1 1 A 19 19 ASN HA H 19 4.232 4.271 -0.039 1
1 152 . 3 1 1 A 19 19 ASN C C 19 174.948 174.295 0.653 1
1 153 . 3 1 1 A 19 19 ASN CA C 19 54.809 53.818 0.991 1
1 154 . 3 1 1 A 19 19 ASN CB C 19 37.192 37.136 0.056 1
1 155 . 3 1 1 A 19 19 ASN N N 19 127.579 126.967 0.612 1
1 157 . 3 1 1 A 20 20 SER H H 20 8.464 8.399 0.065 1
1 158 . 3 1 1 A 20 20 SER HA H 20 3.653 3.948 -0.295 1
1 161 . 3 1 1 A 20 20 SER C C 20 172.645 172.904 -0.259 1
1 162 . 3 1 1 A 20 20 SER CA C 20 60.458 59.445 1.013 1
1 163 . 3 1 1 A 20 20 SER CB C 20 62.584 62.292 0.292 1
1 164 . 3 1 1 A 20 20 SER N N 20 106.869 112.231 -5.362 1
1 165 . 3 1 1 A 21 21 GLN H H 21 7.695 7.526 0.169 1
1 166 . 3 1 1 A 21 21 GLN HA H 21 4.591 4.687 -0.096 1
1 173 . 3 1 1 A 21 21 GLN C C 21 174.003 174.564 -0.561 1
1 174 . 3 1 1 A 21 21 GLN CA C 21 53.772 54.253 -0.481 1
1 175 . 3 1 1 A 21 21 GLN CB C 21 32.069 31.825 0.244 1
1 177 . 3 1 1 A 21 21 GLN N N 21 120.372 118.345 2.027 1
1 179 . 3 1 1 A 22 22 TRP H H 22 8.743 8.740 0.003 1
1 180 . 3 1 1 A 22 22 TRP HA H 22 4.690 4.736 -0.046 1
1 189 . 3 1 1 A 22 22 TRP C C 22 176.863 176.574 0.289 1
1 190 . 3 1 1 A 22 22 TRP CA C 22 57.062 58.151 -1.089 1
1 191 . 3 1 1 A 22 22 TRP CB C 22 29.323 29.474 -0.151 1
1 197 . 3 1 1 A 22 22 TRP N N 22 124.919 123.700 1.219 1
1 199 . 3 1 1 A 23 23 LYS H H 23 9.302 9.124 0.178 1
1 200 . 3 1 1 A 23 23 LYS HA H 23 4.798 4.885 -0.087 1
1 208 . 3 1 1 A 23 23 LYS C C 23 176.050 176.087 -0.037 1
1 209 . 3 1 1 A 23 23 LYS CA C 23 54.106 54.451 -0.345 1
1 210 . 3 1 1 A 23 23 LYS CB C 23 35.583 35.379 0.204 1
1 214 . 3 1 1 A 23 23 LYS N N 23 124.474 124.789 -0.315 1
1 215 . 3 1 1 A 24 24 SER H H 24 8.740 8.655 0.085 1
1 216 . 3 1 1 A 24 24 SER HA H 24 5.035 4.966 0.069 1
1 219 . 3 1 1 A 24 24 SER C C 24 175.905 173.524 2.381 1
1 220 . 3 1 1 A 24 24 SER CA C 24 58.857 58.321 0.536 1
1 221 . 3 1 1 A 24 24 SER CB C 24 63.489 63.499 -0.010 1
1 222 . 3 1 1 A 24 24 SER N N 24 118.568 119.016 -0.448 1
1 223 . 3 1 1 A 25 25 ARG H H 25 9.302 8.660 0.642 1
1 224 . 3 1 1 A 25 25 ARG HA H 25 4.946 5.106 -0.160 1
1 231 . 3 1 1 A 25 25 ARG C C 25 173.724 174.793 -1.069 1
1 232 . 3 1 1 A 25 25 ARG CA C 25 54.440 54.388 0.052 1
1 233 . 3 1 1 A 25 25 ARG CB C 25 34.825 34.004 0.821 1
1 236 . 3 1 1 A 25 25 ARG N N 25 126.895 126.463 0.432 1
1 237 . 3 1 1 A 26 26 TRP H H 26 8.668 9.496 -0.828 1
1 238 . 3 1 1 A 26 26 TRP HA H 26 4.780 5.044 -0.264 1
1 247 . 3 1 1 A 26 26 TRP C C 26 175.796 175.022 0.774 1
1 248 . 3 1 1 A 26 26 TRP CA C 26 57.555 55.937 1.618 1
1 249 . 3 1 1 A 26 26 TRP CB C 26 29.833 30.468 -0.635 1
1 255 . 3 1 1 A 26 26 TRP N N 26 123.493 127.866 -4.373 1
1 257 . 3 1 1 A 27 27 CYS H H 27 8.884 8.784 0.100 1
1 258 . 3 1 1 A 27 27 CYS HA H 27 5.668 4.978 0.690 1
1 261 . 3 1 1 A 27 27 CYS C C 27 174.560 174.399 0.161 1
1 262 . 3 1 1 A 27 27 CYS CA C 27 58.184 57.968 0.216 1
1 263 . 3 1 1 A 27 27 CYS CB C 27 31.516 28.642 2.874 1
1 264 . 3 1 1 A 27 27 CYS N N 27 124.947 127.522 -2.575 1
1 265 . 3 1 1 A 28 28 SER H H 28 8.566 8.963 -0.397 1
1 266 . 3 1 1 A 28 28 SER HA H 28 5.240 5.337 -0.097 1
1 269 . 3 1 1 A 28 28 SER C C 28 173.106 173.050 0.056 1
1 270 . 3 1 1 A 28 28 SER CA C 28 57.027 56.922 0.105 1
1 271 . 3 1 1 A 28 28 SER CB C 28 66.738 65.479 1.259 1
1 272 . 3 1 1 A 28 28 SER N N 28 114.751 119.867 -5.116 1
1 273 . 3 1 1 A 29 29 VAL H H 29 8.843 8.972 -0.129 1
1 274 . 3 1 1 A 29 29 VAL HA H 29 5.302 5.115 0.187 1
1 282 . 3 1 1 A 29 29 VAL C C 29 175.905 175.291 0.614 1
1 283 . 3 1 1 A 29 29 VAL CA C 29 61.233 61.646 -0.413 1
1 284 . 3 1 1 A 29 29 VAL CB C 29 32.832 32.708 0.124 1
1 287 . 3 1 1 A 29 29 VAL N N 29 125.688 128.049 -2.361 1
1 288 . 3 1 1 A 30 30 ARG H H 30 8.964 9.125 -0.161 1
1 289 . 3 1 1 A 30 30 ARG HA H 30 4.620 4.551 0.069 1
1 295 . 3 1 1 A 30 30 ARG C C 30 176.160 175.340 0.820 1
1 296 . 3 1 1 A 30 30 ARG CA C 30 55.901 56.101 -0.200 1
1 297 . 3 1 1 A 30 30 ARG CB C 30 33.198 33.163 0.035 1
1 300 . 3 1 1 A 30 30 ARG N N 30 125.513 125.494 0.019 1
1 301 . 3 1 1 A 31 31 ASP H H 31 9.773 9.638 0.135 1
1 302 . 3 1 1 A 31 31 ASP HA H 31 4.451 4.348 0.103 1
1 305 . 3 1 1 A 31 31 ASP C C 31 177.008 175.245 1.763 1
1 306 . 3 1 1 A 31 31 ASP CA C 31 55.936 55.214 0.722 1
1 307 . 3 1 1 A 31 31 ASP CB C 31 39.659 39.578 0.081 1
1 308 . 3 1 1 A 31 31 ASP N N 31 127.085 125.717 1.368 1
1 309 . 3 1 1 A 32 32 ASN H H 32 9.639 8.216 1.423 1
1 310 . 3 1 1 A 32 32 ASN HA H 32 4.535 4.465 0.070 1
1 315 . 3 1 1 A 32 32 ASN C C 32 172.766 173.696 -0.930 1
1 316 . 3 1 1 A 32 32 ASN CA C 32 55.549 54.596 0.953 1
1 317 . 3 1 1 A 32 32 ASN CB C 32 38.238 37.092 1.146 1
1 318 . 3 1 1 A 32 32 ASN N N 32 112.101 109.283 2.818 1
1 320 . 3 1 1 A 33 33 HIS H H 33 8.292 7.640 0.652 1
1 321 . 3 1 1 A 33 33 HIS HA H 33 5.368 5.351 0.017 1
1 326 . 3 1 1 A 33 33 HIS C C 33 172.718 173.531 -0.813 1
1 327 . 3 1 1 A 33 33 HIS CA C 33 55.303 54.577 0.726 1
1 328 . 3 1 1 A 33 33 HIS CB C 33 32.851 34.199 -1.348 1
1 331 . 3 1 1 A 33 33 HIS N N 33 116.294 116.238 0.056 1
1 332 . 3 1 1 A 34 34 LEU H H 34 8.987 9.174 -0.187 1
1 333 . 3 1 1 A 34 34 LEU HA H 34 4.784 4.972 -0.188 1
1 342 . 3 1 1 A 34 34 LEU C C 34 173.240 175.192 -1.952 1
1 343 . 3 1 1 A 34 34 LEU CA C 34 53.719 53.597 0.122 1
1 344 . 3 1 1 A 34 34 LEU CB C 34 45.147 43.743 1.404 1
1 348 . 3 1 1 A 34 34 LEU N N 34 122.961 125.273 -2.312 1
1 349 . 3 1 1 A 35 35 HIS H H 35 9.169 9.747 -0.578 1
1 350 . 3 1 1 A 35 35 HIS HA H 35 4.713 5.134 -0.421 1
1 355 . 3 1 1 A 35 35 HIS C C 35 174.778 175.013 -0.235 1
1 356 . 3 1 1 A 35 35 HIS CA C 35 55.284 55.955 -0.671 1
1 357 . 3 1 1 A 35 35 HIS CB C 35 34.455 32.012 2.443 1
1 360 . 3 1 1 A 35 35 HIS N N 35 125.201 126.226 -1.025 1
1 361 . 3 1 1 A 36 36 PHE H H 36 9.522 8.819 0.703 1
1 362 . 3 1 1 A 36 36 PHE HA H 36 5.014 5.253 -0.239 1
1 370 . 3 1 1 A 36 36 PHE C C 36 174.911 174.027 0.884 1
1 371 . 3 1 1 A 36 36 PHE CA C 36 56.217 56.302 -0.085 1
1 372 . 3 1 1 A 36 36 PHE CB C 36 43.666 42.246 1.420 1
1 378 . 3 1 1 A 36 36 PHE N N 36 118.294 118.297 -0.003 1
1 379 . 3 1 1 A 37 37 TYR H H 37 9.783 9.239 0.544 1
1 380 . 3 1 1 A 37 37 TYR HA H 37 5.453 5.058 0.395 1
1 387 . 3 1 1 A 37 37 TYR C C 37 176.475 175.716 0.759 1
1 388 . 3 1 1 A 37 37 TYR CA C 37 57.185 56.760 0.425 1
1 389 . 3 1 1 A 37 37 TYR CB C 37 41.569 43.331 -1.762 1
1 394 . 3 1 1 A 37 37 TYR N N 37 121.241 120.839 0.402 1
1 395 . 3 1 1 A 38 38 GLN H H 38 9.233 9.049 0.184 1
1 396 . 3 1 1 A 38 38 GLN HA H 38 4.480 4.695 -0.215 1
1 403 . 3 1 1 A 38 38 GLN C C 38 175.408 175.725 -0.317 1
1 404 . 3 1 1 A 38 38 GLN CA C 38 57.977 57.490 0.487 1
1 405 . 3 1 1 A 38 38 GLN CB C 38 29.825 30.456 -0.631 1
1 407 . 3 1 1 A 38 38 GLN N N 38 119.348 120.575 -1.227 1
1 409 . 3 1 1 A 39 39 ASP H H 39 8.674 8.155 0.519 1
1 410 . 3 1 1 A 39 39 ASP HA H 39 4.849 5.188 -0.339 1
1 413 . 3 1 1 A 39 39 ASP CA C 39 52.402 52.775 -0.373 1
1 414 . 3 1 1 A 39 39 ASP CB C 39 43.525 42.810 0.715 1
1 415 . 3 1 1 A 40 40 ARG H H 40 7.823 8.708 -0.885 1
1 416 . 3 1 1 A 40 40 ARG HA H 40 2.342 3.303 -0.961 1
1 423 . 3 1 1 A 40 40 ARG CA C 40 57.183 56.421 0.762 1
1 424 . 3 1 1 A 40 40 ARG CB C 40 29.300 29.554 -0.254 1
1 427 . 3 1 1 A 40 40 ARG N N 40 119.412 120.059 -0.647 1
1 428 . 3 1 1 A 41 41 ASN H H 41 7.601 7.654 -0.053 1
1 429 . 3 1 1 A 41 41 ASN HA H 41 4.408 4.533 -0.125 1
1 434 . 3 1 1 A 41 41 ASN C C 41 174.584 174.688 -0.104 1
1 435 . 3 1 1 A 41 41 ASN CA C 41 53.396 52.192 1.204 1
1 436 . 3 1 1 A 41 41 ASN CB C 41 37.847 38.744 -0.897 1
1 437 . 3 1 1 A 41 41 ASN N N 41 114.895 116.657 -1.762 1
1 439 . 3 1 1 A 42 42 ARG H H 42 7.927 7.658 0.269 1
1 440 . 3 1 1 A 42 42 ARG HA H 42 3.271 3.816 -0.545 1
1 446 . 3 1 1 A 42 42 ARG CA C 42 57.164 56.849 0.315 1
1 449 . 3 1 1 A 42 42 ARG N N 42 115.263 115.599 -0.336 1
1 450 . 3 1 1 A 43 43 SER H H 43 9.112 7.950 1.162 1
1 451 . 3 1 1 A 43 43 SER HA H 43 4.444 4.732 -0.288 1
1 454 . 3 1 1 A 43 43 SER CA C 43 59.742 59.549 0.193 1
1 455 . 3 1 1 A 43 43 SER CB C 43 64.693 65.368 -0.675 1
1 456 . 3 1 1 A 43 43 SER N N 43 115.094 113.161 1.933 1
1 457 . 3 1 1 A 44 44 LYS H H 44 8.543 7.732 0.811 1
1 458 . 3 1 1 A 44 44 LYS HA H 44 4.784 4.494 0.290 1
1 464 . 3 1 1 A 44 44 LYS C C 44 175.723 175.036 0.687 1
1 465 . 3 1 1 A 44 44 LYS CA C 44 55.091 54.858 0.233 1
1 466 . 3 1 1 A 44 44 LYS CB C 44 34.642 32.396 2.246 1
1 470 . 3 1 1 A 45 45 VAL H H 45 8.965 8.228 0.737 1
1 471 . 3 1 1 A 45 45 VAL HA H 45 4.043 4.039 0.004 1
1 479 . 3 1 1 A 45 45 VAL C C 45 176.656 176.479 0.177 1
1 480 . 3 1 1 A 45 45 VAL CA C 45 63.883 63.724 0.159 1
1 481 . 3 1 1 A 45 45 VAL CB C 45 32.621 32.097 0.524 1
1 484 . 3 1 1 A 45 45 VAL N N 45 127.663 126.067 1.596 1
1 485 . 3 1 1 A 46 46 ALA H H 46 9.214 8.152 1.062 1
1 486 . 3 1 1 A 46 46 ALA HA H 46 4.523 4.257 0.266 1
1 490 . 3 1 1 A 46 46 ALA C C 46 176.560 177.512 -0.952 1
1 491 . 3 1 1 A 46 46 ALA CA C 46 52.610 53.887 -1.277 1
1 492 . 3 1 1 A 46 46 ALA CB C 46 20.929 19.841 1.088 1
1 493 . 3 1 1 A 46 46 ALA N N 46 129.165 129.034 0.131 1
1 494 . 3 1 1 A 47 47 GLN H H 47 7.504 7.551 -0.047 1
1 495 . 3 1 1 A 47 47 GLN HA H 47 4.494 4.587 -0.093 1
1 502 . 3 1 1 A 47 47 GLN C C 47 173.057 174.501 -1.444 1
1 503 . 3 1 1 A 47 47 GLN CA C 47 54.458 54.386 0.072 1
1 504 . 3 1 1 A 47 47 GLN CB C 47 30.918 31.482 -0.564 1
1 506 . 3 1 1 A 47 47 GLN N N 47 112.591 112.485 0.106 1
1 508 . 3 1 1 A 48 48 GLN H H 48 8.541 8.274 0.267 1
1 509 . 3 1 1 A 48 48 GLN HA H 48 4.420 4.410 0.010 1
1 516 . 3 1 1 A 48 48 GLN C C 48 172.864 173.940 -1.076 1
1 517 . 3 1 1 A 48 48 GLN CA C 48 54.774 54.554 0.220 1
1 518 . 3 1 1 A 48 48 GLN CB C 48 28.017 27.813 0.204 1
1 520 . 3 1 1 A 48 48 GLN N N 48 120.933 120.421 0.512 1
1 522 . 3 1 1 A 49 49 PRO HA H 49 4.963 4.589 0.374 1
1 529 . 3 1 1 A 49 49 PRO C C 49 177.105 175.291 1.814 1
1 530 . 3 1 1 A 49 49 PRO CA C 49 63.010 62.319 0.691 1
1 531 . 3 1 1 A 49 49 PRO CB C 49 32.625 32.119 0.506 1
1 534 . 3 1 1 A 50 50 LEU H H 50 8.937 8.803 0.134 1
1 535 . 3 1 1 A 50 50 LEU HA H 50 4.742 5.035 -0.293 1
1 545 . 3 1 1 A 50 50 LEU C C 50 176.147 175.657 0.490 1
1 546 . 3 1 1 A 50 50 LEU CA C 50 53.120 53.257 -0.137 1
1 547 . 3 1 1 A 50 50 LEU CB C 50 45.352 45.639 -0.287 1
1 551 . 3 1 1 A 50 50 LEU N N 50 121.454 122.209 -0.755 1
1 552 . 3 1 1 A 51 51 SER H H 51 8.771 8.851 -0.080 1
1 553 . 3 1 1 A 51 51 SER HA H 51 3.434 4.354 -0.920 1
1 556 . 3 1 1 A 51 51 SER C C 51 175.081 174.363 0.718 1
1 557 . 3 1 1 A 51 51 SER CA C 51 57.936 57.348 0.588 1
1 558 . 3 1 1 A 51 51 SER CB C 51 62.378 62.436 -0.058 1
1 559 . 3 1 1 A 51 51 SER N N 51 120.178 118.003 2.175 1
1 560 . 3 1 1 A 52 52 LEU H H 52 8.045 7.535 0.510 1
1 561 . 3 1 1 A 52 52 LEU HA H 52 4.443 3.859 0.584 1
1 571 . 3 1 1 A 52 52 LEU C C 52 177.916 177.864 0.052 1
1 572 . 3 1 1 A 52 52 LEU CA C 52 55.105 57.972 -2.867 1
1 573 . 3 1 1 A 52 52 LEU CB C 52 42.762 41.398 1.364 1
1 577 . 3 1 1 A 52 52 LEU N N 52 125.348 128.031 -2.683 1
1 578 . 3 1 1 A 53 53 VAL H H 53 7.418 7.497 -0.079 1
1 579 . 3 1 1 A 53 53 VAL HA H 53 3.841 3.798 0.043 1
1 587 . 3 1 1 A 53 53 VAL C C 53 178.123 177.155 0.968 1
1 588 . 3 1 1 A 53 53 VAL CA C 53 64.893 64.868 0.025 1
1 589 . 3 1 1 A 53 53 VAL CB C 53 30.973 31.092 -0.119 1
1 592 . 3 1 1 A 53 53 VAL N N 53 119.590 117.944 1.646 1
1 593 . 3 1 1 A 54 54 GLY H H 54 9.187 8.832 0.355 1
1 594 . 3 1 1 A 54 54 GLY HA2 H 54 4.292 4.075 0.217 1
1 595 . 3 1 1 A 54 54 GLY HA3 H 54 3.934 4.109 -0.175 1
1 596 . 3 1 1 A 54 54 GLY C C 54 175.275 175.106 0.169 1
1 597 . 3 1 1 A 54 54 GLY CA C 54 45.906 45.158 0.748 1
1 598 . 3 1 1 A 54 54 GLY N N 54 115.764 114.934 0.830 1
1 599 . 3 1 1 A 55 55 CYS H H 55 7.871 8.316 -0.445 1
1 600 . 3 1 1 A 55 55 CYS HA H 55 5.052 4.775 0.277 1
1 603 . 3 1 1 A 55 55 CYS C C 55 174.112 173.583 0.529 1
1 604 . 3 1 1 A 55 55 CYS CA C 55 60.352 59.178 1.174 1
1 605 . 3 1 1 A 55 55 CYS CB C 55 28.779 29.657 -0.878 1
1 606 . 3 1 1 A 55 55 CYS N N 55 117.748 120.265 -2.517 1
1 607 . 3 1 1 A 56 56 GLU H H 56 9.140 8.709 0.431 1
1 608 . 3 1 1 A 56 56 GLU HA H 56 4.672 4.812 -0.140 1
1 612 . 3 1 1 A 56 56 GLU C C 56 175.105 174.550 0.555 1
1 613 . 3 1 1 A 56 56 GLU CA C 56 55.179 55.762 -0.583 1
1 614 . 3 1 1 A 56 56 GLU CB C 56 33.097 33.093 0.004 1
1 616 . 3 1 1 A 56 56 GLU N N 56 120.179 121.899 -1.720 1
1 617 . 3 1 1 A 57 57 VAL H H 57 8.385 8.899 -0.514 1
1 618 . 3 1 1 A 57 57 VAL HA H 57 5.238 4.689 0.549 1
1 626 . 3 1 1 A 57 57 VAL C C 57 175.238 175.817 -0.579 1
1 627 . 3 1 1 A 57 57 VAL CA C 57 61.064 62.316 -1.252 1
1 628 . 3 1 1 A 57 57 VAL CB C 57 33.429 31.813 1.616 1
1 631 . 3 1 1 A 57 57 VAL N N 57 122.535 127.624 -5.089 1
1 632 . 3 1 1 A 58 58 VAL H H 58 8.884 9.195 -0.311 1
1 633 . 3 1 1 A 58 58 VAL HA H 58 5.053 4.899 0.154 1
1 641 . 3 1 1 A 58 58 VAL C C 58 174.027 173.345 0.682 1
1 642 . 3 1 1 A 58 58 VAL CA C 58 57.977 57.924 0.053 1
1 643 . 3 1 1 A 58 58 VAL CB C 58 35.583 34.533 1.050 1
1 646 . 3 1 1 A 58 58 VAL N N 58 122.081 122.164 -0.083 1
1 647 . 3 1 1 A 59 59 PRO HA H 59 4.573 4.912 -0.339 1
1 654 . 3 1 1 A 59 59 PRO C C 59 175.457 175.181 0.276 1
1 655 . 3 1 1 A 59 59 PRO CA C 59 63.643 62.385 1.258 1
1 656 . 3 1 1 A 59 59 PRO CB C 59 32.915 29.993 2.922 1
1 659 . 3 1 1 A 60 60 ASP H H 60 8.989 8.399 0.590 1
1 660 . 3 1 1 A 60 60 ASP HA H 60 5.179 5.299 -0.120 1
1 663 . 3 1 1 A 60 60 ASP C C 60 172.742 174.193 -1.451 1
1 664 . 3 1 1 A 60 60 ASP CA C 60 52.698 50.922 1.776 1
1 665 . 3 1 1 A 60 60 ASP CB C 60 43.314 41.351 1.963 1
1 666 . 3 1 1 A 60 60 ASP N N 60 122.718 123.850 -1.132 1
1 667 . 3 1 1 A 61 61 PRO HA H 61 4.681 4.988 -0.307 1
1 674 . 3 1 1 A 61 61 PRO C C 61 177.420 175.187 2.233 1
1 675 . 3 1 1 A 61 61 PRO CA C 61 63.594 62.436 1.158 1
1 676 . 3 1 1 A 61 61 PRO CB C 61 32.950 32.844 0.106 1
1 679 . 3 1 1 A 62 62 SER H H 62 7.803 8.188 -0.385 1
1 680 . 3 1 1 A 62 62 SER HA H 62 4.797 5.004 -0.207 1
1 683 . 3 1 1 A 62 62 SER C C 62 174.851 174.796 0.055 1
1 684 . 3 1 1 A 62 62 SER CA C 62 56.896 55.736 1.160 1
1 685 . 3 1 1 A 62 62 SER CB C 62 63.959 65.204 -1.245 1
1 686 . 3 1 1 A 62 62 SER N N 62 115.582 115.452 0.130 1
1 687 . 3 1 1 A 63 63 PRO HA H 63 4.089 4.491 -0.402 1
1 694 . 3 1 1 A 63 63 PRO C C 63 177.105 175.917 1.188 1
1 695 . 3 1 1 A 63 63 PRO CA C 63 66.024 64.122 1.902 1
1 696 . 3 1 1 A 63 63 PRO CB C 63 31.763 31.483 0.280 1
1 699 . 3 1 1 A 64 64 ASP H H 64 8.361 8.210 0.151 1
1 700 . 3 1 1 A 64 64 ASP HA H 64 4.290 4.737 -0.447 1
1 703 . 3 1 1 A 64 64 ASP C C 64 174.802 175.335 -0.533 1
1 704 . 3 1 1 A 64 64 ASP CA C 64 54.458 54.150 0.308 1
1 705 . 3 1 1 A 64 64 ASP CB C 64 40.481 42.954 -2.473 1
1 706 . 3 1 1 A 64 64 ASP N N 64 111.867 117.315 -5.448 1
1 707 . 3 1 1 A 65 65 HIS H H 65 7.781 7.340 0.441 1
1 708 . 3 1 1 A 65 65 HIS HA H 65 4.558 4.604 -0.046 1
1 713 . 3 1 1 A 65 65 HIS C C 65 174.972 174.471 0.501 1
1 714 . 3 1 1 A 65 65 HIS CA C 65 54.370 54.383 -0.013 1
1 715 . 3 1 1 A 65 65 HIS CB C 65 28.450 31.834 -3.384 1
1 718 . 3 1 1 A 65 65 HIS N N 65 120.793 116.625 4.168 1
1 719 . 3 1 1 A 66 66 LEU H H 66 8.206 8.090 0.116 1
1 720 . 3 1 1 A 66 66 LEU HA H 66 3.893 4.292 -0.399 1
1 730 . 3 1 1 A 66 66 LEU C C 66 178.826 176.415 2.411 1
1 731 . 3 1 1 A 66 66 LEU CA C 66 57.857 54.365 3.492 1
1 732 . 3 1 1 A 66 66 LEU CB C 66 42.245 41.440 0.805 1
1 736 . 3 1 1 A 66 66 LEU N N 66 124.390 124.625 -0.235 1
1 737 . 3 1 1 A 67 67 TYR H H 67 8.612 7.659 0.953 1
1 738 . 3 1 1 A 67 67 TYR HA H 67 5.417 4.898 0.519 1
1 745 . 3 1 1 A 67 67 TYR C C 67 176.403 175.040 1.363 1
1 746 . 3 1 1 A 67 67 TYR CA C 67 55.320 57.389 -2.069 1
1 747 . 3 1 1 A 67 67 TYR CB C 67 35.524 38.136 -2.612 1
1 752 . 3 1 1 A 67 67 TYR N N 67 118.042 119.333 -1.291 1
1 753 . 3 1 1 A 68 68 SER H H 68 6.652 7.749 -1.097 1
1 754 . 3 1 1 A 68 68 SER HA H 68 5.742 5.299 0.443 1
1 757 . 3 1 1 A 68 68 SER C C 68 174.827 173.852 0.975 1
1 758 . 3 1 1 A 68 68 SER CA C 68 56.147 56.198 -0.051 1
1 759 . 3 1 1 A 68 68 SER CB C 68 65.504 65.425 0.079 1
1 760 . 3 1 1 A 68 68 SER N N 68 111.076 113.174 -2.098 1
1 761 . 3 1 1 A 69 69 PHE H H 69 9.089 8.292 0.797 1
1 762 . 3 1 1 A 69 69 PHE HA H 69 5.212 5.769 -0.557 1
1 770 . 3 1 1 A 69 69 PHE C C 69 171.676 172.855 -1.179 1
1 771 . 3 1 1 A 69 69 PHE CA C 69 55.918 55.303 0.615 1
1 772 . 3 1 1 A 69 69 PHE CB C 69 41.034 42.245 -1.211 1
1 778 . 3 1 1 A 69 69 PHE N N 69 121.539 118.424 3.115 1
1 779 . 3 1 1 A 70 70 ARG H H 70 9.299 8.999 0.300 1
1 780 . 3 1 1 A 70 70 ARG HA H 70 5.333 5.239 0.094 1
1 787 . 3 1 1 A 70 70 ARG C C 70 174.197 174.344 -0.147 1
1 788 . 3 1 1 A 70 70 ARG CA C 70 54.198 54.342 -0.144 1
1 789 . 3 1 1 A 70 70 ARG CB C 70 35.236 34.271 0.965 1
1 792 . 3 1 1 A 70 70 ARG N N 70 117.458 118.345 -0.887 1
1 794 . 3 1 1 A 71 71 ILE H H 71 8.505 8.991 -0.486 1
1 795 . 3 1 1 A 71 71 ILE HA H 71 4.974 5.172 -0.198 1
1 805 . 3 1 1 A 71 71 ILE C C 71 174.996 175.251 -0.255 1
1 806 . 3 1 1 A 71 71 ILE CA C 71 60.622 59.839 0.783 1
1 807 . 3 1 1 A 71 71 ILE CB C 71 39.636 40.656 -1.020 1
1 811 . 3 1 1 A 71 71 ILE N N 71 119.757 123.044 -3.287 1
1 812 . 3 1 1 A 72 72 LEU H H 72 9.488 9.199 0.289 1
1 813 . 3 1 1 A 72 72 LEU HA H 72 5.473 5.390 0.083 1
1 823 . 3 1 1 A 72 72 LEU C C 72 176.172 176.134 0.038 1
1 824 . 3 1 1 A 72 72 LEU CA C 72 53.507 54.019 -0.512 1
1 825 . 3 1 1 A 72 72 LEU CB C 72 46.393 45.815 0.578 1
1 829 . 3 1 1 A 72 72 LEU N N 72 128.277 126.804 1.473 1
1 830 . 3 1 1 A 73 73 HIS H H 73 9.087 8.740 0.347 1
1 831 . 3 1 1 A 73 73 HIS HA H 73 4.888 4.624 0.264 1
1 836 . 3 1 1 A 73 73 HIS C C 73 175.118 175.798 -0.680 1
1 837 . 3 1 1 A 73 73 HIS CA C 73 56.675 58.108 -1.433 1
1 838 . 3 1 1 A 73 73 HIS CB C 73 32.933 31.625 1.308 1
1 841 . 3 1 1 A 73 73 HIS N N 73 119.084 123.107 -4.023 1
1 842 . 3 1 1 A 74 74 LYS H H 74 9.551 8.107 1.444 1
1 843 . 3 1 1 A 74 74 LYS HA H 74 3.763 4.311 -0.548 1
1 852 . 3 1 1 A 74 74 LYS C C 74 176.851 176.602 0.249 1
1 853 . 3 1 1 A 74 74 LYS CA C 74 56.969 55.137 1.832 1
1 854 . 3 1 1 A 74 74 LYS CB C 74 29.766 32.556 -2.790 1
1 858 . 3 1 1 A 74 74 LYS N N 74 128.764 116.803 11.961 1
1 859 . 3 1 1 A 75 75 GLY H H 75 8.877 8.065 0.812 1
1 860 . 3 1 1 A 75 75 GLY HA2 H 75 3.523 3.943 -0.420 1
1 861 . 3 1 1 A 75 75 GLY HA3 H 75 4.213 3.949 0.264 1
1 862 . 3 1 1 A 75 75 GLY C C 75 173.566 174.340 -0.774 1
1 863 . 3 1 1 A 75 75 GLY CA C 75 45.346 45.105 0.241 1
1 864 . 3 1 1 A 75 75 GLY N N 75 104.552 108.055 -3.503 1
1 865 . 3 1 1 A 76 76 GLU H H 76 7.922 7.856 0.066 1
1 866 . 3 1 1 A 76 76 GLU HA H 76 4.491 4.701 -0.210 1
1 871 . 3 1 1 A 76 76 GLU C C 76 175.651 174.813 0.838 1
1 872 . 3 1 1 A 76 76 GLU CA C 76 54.721 55.519 -0.798 1
1 873 . 3 1 1 A 76 76 GLU CB C 76 31.187 31.686 -0.499 1
1 875 . 3 1 1 A 76 76 GLU N N 76 121.492 120.081 1.411 1
1 876 . 3 1 1 A 77 77 GLU H H 77 8.925 8.595 0.330 1
1 877 . 3 1 1 A 77 77 GLU HA H 77 4.309 4.987 -0.678 1
1 881 . 3 1 1 A 77 77 GLU C C 77 175.857 175.470 0.387 1
1 882 . 3 1 1 A 77 77 GLU CA C 77 57.412 55.039 2.373 1
1 883 . 3 1 1 A 77 77 GLU CB C 77 31.146 31.644 -0.498 1
1 885 . 3 1 1 A 77 77 GLU N N 77 125.541 121.407 4.134 1
1 886 . 3 1 1 A 78 78 LEU H H 78 9.475 9.344 0.131 1
1 887 . 3 1 1 A 78 78 LEU HA H 78 4.513 4.399 0.114 1
1 897 . 3 1 1 A 78 78 LEU C C 78 177.541 176.994 0.547 1
1 898 . 3 1 1 A 78 78 LEU CA C 78 55.443 56.111 -0.668 1
1 899 . 3 1 1 A 78 78 LEU CB C 78 43.776 42.467 1.309 1
1 903 . 3 1 1 A 78 78 LEU N N 78 128.715 128.960 -0.245 1
1 904 . 3 1 1 A 79 79 ALA H H 79 7.550 7.610 -0.060 1
1 905 . 3 1 1 A 79 79 ALA HA H 79 4.503 4.742 -0.239 1
1 909 . 3 1 1 A 79 79 ALA C C 79 174.342 174.603 -0.261 1
1 910 . 3 1 1 A 79 79 ALA CA C 79 51.906 51.447 0.459 1
1 911 . 3 1 1 A 79 79 ALA CB C 79 22.017 22.890 -0.873 1
1 912 . 3 1 1 A 79 79 ALA N N 79 116.317 116.781 -0.464 1
1 913 . 3 1 1 A 80 80 LYS H H 80 8.743 8.915 -0.172 1
1 914 . 3 1 1 A 80 80 LYS HA H 80 4.725 5.097 -0.372 1
1 923 . 3 1 1 A 80 80 LYS C C 80 172.973 175.034 -2.061 1
1 924 . 3 1 1 A 80 80 LYS CA C 80 56.604 54.715 1.889 1
1 925 . 3 1 1 A 80 80 LYS CB C 80 34.331 35.033 -0.702 1
1 929 . 3 1 1 A 80 80 LYS N N 80 123.623 122.944 0.679 1
1 930 . 3 1 1 A 81 81 LEU H H 81 8.504 8.707 -0.203 1
1 931 . 3 1 1 A 81 81 LEU HA H 81 5.531 5.510 0.021 1
1 941 . 3 1 1 A 81 81 LEU C C 81 176.366 175.454 0.912 1
1 942 . 3 1 1 A 81 81 LEU CA C 81 53.665 53.160 0.505 1
1 943 . 3 1 1 A 81 81 LEU CB C 81 45.969 45.253 0.716 1
1 947 . 3 1 1 A 81 81 LEU N N 81 124.594 128.153 -3.559 1
1 948 . 3 1 1 A 82 82 GLU H H 82 9.018 8.433 0.585 1
1 949 . 3 1 1 A 82 82 GLU HA H 82 4.826 4.647 0.179 1
1 954 . 3 1 1 A 82 82 GLU C C 82 174.439 175.623 -1.184 1
1 955 . 3 1 1 A 82 82 GLU CA C 82 56.376 54.297 2.079 1
1 956 . 3 1 1 A 82 82 GLU CB C 82 32.852 32.654 0.198 1
1 958 . 3 1 1 A 82 82 GLU N N 82 118.819 121.686 -2.867 1
1 959 . 3 1 1 A 83 83 ALA H H 83 8.027 8.640 -0.613 1
1 960 . 3 1 1 A 83 83 ALA HA H 83 4.980 4.584 0.396 1
1 964 . 3 1 1 A 83 83 ALA C C 83 176.439 178.785 -2.346 1
1 965 . 3 1 1 A 83 83 ALA CA C 83 50.059 50.429 -0.370 1
1 966 . 3 1 1 A 83 83 ALA CB C 83 21.702 20.970 0.732 1
1 967 . 3 1 1 A 83 83 ALA N N 83 127.765 127.906 -0.141 1
1 968 . 3 1 1 A 84 84 LYS H H 84 9.017 8.733 0.284 1
1 969 . 3 1 1 A 84 84 LYS HA H 84 4.432 4.497 -0.065 1
1 977 . 3 1 1 A 84 84 LYS C C 84 175.930 176.198 -0.268 1
1 978 . 3 1 1 A 84 84 LYS CA C 84 56.956 56.612 0.344 1
1 979 . 3 1 1 A 84 84 LYS CB C 84 32.974 33.990 -1.016 1
1 983 . 3 1 1 A 84 84 LYS N N 84 115.456 117.190 -1.734 1
1 984 . 3 1 1 A 85 85 SER H H 85 7.324 7.697 -0.373 1
1 985 . 3 1 1 A 85 85 SER HA H 85 4.074 4.099 -0.025 1
1 988 . 3 1 1 A 85 85 SER C C 85 173.421 173.524 -0.103 1
1 989 . 3 1 1 A 85 85 SER CA C 85 56.038 55.819 0.219 1
1 990 . 3 1 1 A 85 85 SER CB C 85 66.506 65.647 0.859 1
1 991 . 3 1 1 A 85 85 SER N N 85 110.261 114.426 -4.165 1
1 992 . 3 1 1 A 86 86 SER H H 86 8.610 8.285 0.325 1
1 993 . 3 1 1 A 86 86 SER HA H 86 3.648 3.986 -0.338 1
1 996 . 3 1 1 A 86 86 SER C C 86 177.784 176.433 1.351 1
1 997 . 3 1 1 A 86 86 SER CA C 86 61.391 61.199 0.192 1
1 998 . 3 1 1 A 86 86 SER CB C 86 62.378 62.753 -0.375 1
1 999 . 3 1 1 A 86 86 SER N N 86 117.136 120.345 -3.209 1
1 1000 . 3 1 1 A 87 87 GLU H H 87 8.890 7.663 1.227 1
1 1001 . 3 1 1 A 87 87 GLU HA H 87 4.031 4.059 -0.028 1
1 1006 . 3 1 1 A 87 87 GLU C C 87 179.492 179.139 0.353 1
1 1007 . 3 1 1 A 87 87 GLU CA C 87 59.983 59.304 0.679 1
1 1008 . 3 1 1 A 87 87 GLU CB C 87 28.969 28.945 0.024 1
1 1010 . 3 1 1 A 87 87 GLU N N 87 123.189 121.661 1.528 1
1 1011 . 3 1 1 A 88 88 GLU H H 88 8.015 8.212 -0.197 1
1 1012 . 3 1 1 A 88 88 GLU HA H 88 4.243 4.131 0.112 1
1 1017 . 3 1 1 A 88 88 GLU C C 88 178.472 179.011 -0.539 1
1 1018 . 3 1 1 A 88 88 GLU CA C 88 59.642 59.355 0.287 1
1 1019 . 3 1 1 A 88 88 GLU CB C 88 31.016 29.508 1.508 1
1 1021 . 3 1 1 A 88 88 GLU N N 88 121.015 119.893 1.122 1
1 1022 . 3 1 1 A 89 89 MET H H 89 8.334 8.346 -0.012 1
1 1023 . 3 1 1 A 89 89 MET HA H 89 3.843 4.371 -0.528 1
1 1030 . 3 1 1 A 89 89 MET C C 89 177.396 178.686 -1.290 1
1 1031 . 3 1 1 A 89 89 MET CA C 89 60.458 58.069 2.389 1
1 1032 . 3 1 1 A 89 89 MET CB C 89 32.481 32.578 -0.097 1
1 1035 . 3 1 1 A 89 89 MET N N 89 119.764 118.945 0.819 1
1 1036 . 3 1 1 A 90 90 GLY H H 90 8.452 8.285 0.167 1
1 1037 . 3 1 1 A 90 90 GLY HA2 H 90 4.008 3.722 0.286 1
1 1038 . 3 1 1 A 90 90 GLY HA3 H 90 3.723 3.744 -0.021 1
1 1039 . 3 1 1 A 90 90 GLY C C 90 176.814 175.445 1.369 1
1 1040 . 3 1 1 A 90 90 GLY CA C 90 47.489 46.781 0.708 1
1 1041 . 3 1 1 A 90 90 GLY N N 90 105.180 108.563 -3.383 1
1 1042 . 3 1 1 A 91 91 HIS H H 91 7.919 8.100 -0.181 1
1 1043 . 3 1 1 A 91 91 HIS HA H 91 4.329 4.184 0.145 1
1 1048 . 3 1 1 A 91 91 HIS C C 91 178.208 177.116 1.092 1
1 1049 . 3 1 1 A 91 91 HIS CA C 91 59.367 58.651 0.716 1
1 1050 . 3 1 1 A 91 91 HIS CB C 91 30.612 29.917 0.695 1
1 1053 . 3 1 1 A 91 91 HIS N N 91 121.929 121.218 0.711 1
1 1054 . 3 1 1 A 92 92 TRP H H 92 8.199 7.463 0.736 1
1 1055 . 3 1 1 A 92 92 TRP HA H 92 3.829 4.208 -0.379 1
1 1064 . 3 1 1 A 92 92 TRP C C 92 178.257 178.552 -0.295 1
1 1065 . 3 1 1 A 92 92 TRP CA C 92 62.464 59.870 2.594 1
1 1066 . 3 1 1 A 92 92 TRP CB C 92 29.190 29.756 -0.566 1
1 1072 . 3 1 1 A 92 92 TRP N N 92 120.070 118.046 2.024 1
1 1074 . 3 1 1 A 93 93 LEU H H 93 8.740 8.176 0.564 1
1 1075 . 3 1 1 A 93 93 LEU HA H 93 3.695 3.674 0.021 1
1 1085 . 3 1 1 A 93 93 LEU C C 93 179.105 179.227 -0.122 1
1 1086 . 3 1 1 A 93 93 LEU CA C 93 59.076 58.190 0.886 1
1 1087 . 3 1 1 A 93 93 LEU CB C 93 40.993 41.598 -0.605 1
1 1091 . 3 1 1 A 93 93 LEU N N 93 119.445 120.073 -0.628 1
1 1092 . 3 1 1 A 94 94 GLY H H 94 7.616 8.101 -0.485 1
1 1093 . 3 1 1 A 94 94 GLY HA2 H 94 3.852 3.590 0.262 1
1 1094 . 3 1 1 A 94 94 GLY HA3 H 94 3.759 3.614 0.145 1
1 1095 . 3 1 1 A 94 94 GLY C C 94 176.693 175.411 1.282 1
1 1096 . 3 1 1 A 94 94 GLY CA C 94 47.120 47.262 -0.142 1
1 1097 . 3 1 1 A 94 94 GLY N N 94 102.951 105.260 -2.309 1
1 1098 . 3 1 1 A 95 95 LEU H H 95 7.853 7.552 0.301 1
1 1099 . 3 1 1 A 95 95 LEU HA H 95 4.024 3.789 0.235 1
1 1109 . 3 1 1 A 95 95 LEU C C 95 179.589 178.382 1.207 1
1 1110 . 3 1 1 A 95 95 LEU CA C 95 57.678 57.555 0.123 1
1 1111 . 3 1 1 A 95 95 LEU CB C 95 42.533 41.338 1.195 1
1 1115 . 3 1 1 A 95 95 LEU N N 95 123.479 122.780 0.699 1
1 1116 . 3 1 1 A 96 96 LEU H H 96 8.649 8.533 0.116 1
1 1117 . 3 1 1 A 96 96 LEU HA H 96 3.971 4.006 -0.035 1
1 1127 . 3 1 1 A 96 96 LEU C C 96 179.068 178.987 0.081 1
1 1128 . 3 1 1 A 96 96 LEU CA C 96 57.906 58.009 -0.103 1
1 1129 . 3 1 1 A 96 96 LEU CB C 96 42.104 41.595 0.509 1
1 1133 . 3 1 1 A 96 96 LEU N N 96 118.046 118.728 -0.682 1
1 1134 . 3 1 1 A 97 97 LEU H H 97 8.198 8.116 0.082 1
1 1135 . 3 1 1 A 97 97 LEU HA H 97 4.234 3.880 0.354 1
1 1145 . 3 1 1 A 97 97 LEU C C 97 180.177 178.988 1.189 1
1 1146 . 3 1 1 A 97 97 LEU CA C 97 57.361 58.029 -0.668 1
1 1147 . 3 1 1 A 97 97 LEU CB C 97 41.611 41.466 0.145 1
1 1151 . 3 1 1 A 97 97 LEU N N 97 118.670 118.878 -0.208 1
1 1152 . 3 1 1 A 98 98 SER H H 98 7.818 7.902 -0.084 1
1 1153 . 3 1 1 A 98 98 SER HA H 98 4.328 3.986 0.342 1
1 1156 . 3 1 1 A 98 98 SER C C 98 176.863 176.531 0.332 1
1 1157 . 3 1 1 A 98 98 SER CA C 98 61.004 61.877 -0.873 1
1 1158 . 3 1 1 A 98 98 SER CB C 98 63.322 62.559 0.763 1
1 1159 . 3 1 1 A 98 98 SER N N 98 115.679 113.988 1.691 1
1 1160 . 3 1 1 A 99 99 GLU H H 99 8.003 7.572 0.431 1
1 1161 . 3 1 1 A 99 99 GLU HA H 99 4.193 4.120 0.073 1
1 1166 . 3 1 1 A 99 99 GLU C C 99 177.226 177.936 -0.710 1
1 1167 . 3 1 1 A 99 99 GLU CA C 99 57.449 59.081 -1.632 1
1 1168 . 3 1 1 A 99 99 GLU CB C 99 30.260 29.834 0.426 1
1 1170 . 3 1 1 A 99 99 GLU N N 99 120.518 121.529 -1.011 1
1 1171 . 3 1 1 A 100 100 SER H H 100 7.892 8.157 -0.265 1
1 1172 . 3 1 1 A 100 100 SER HA H 100 4.582 4.372 0.210 1
1 1175 . 3 1 1 A 100 100 SER C C 100 175.881 174.217 1.664 1
1 1176 . 3 1 1 A 100 100 SER CA C 100 59.561 58.211 1.350 1
1 1177 . 3 1 1 A 100 100 SER CB C 100 64.188 63.256 0.932 1
1 1178 . 3 1 1 A 100 100 SER N N 100 113.686 113.971 -0.285 1
1 1179 . 3 1 1 A 101 101 GLY H H 101 7.861 7.910 -0.049 1
1 1180 . 3 1 1 A 101 101 GLY HA2 H 101 4.114 4.129 -0.015 1
1 1181 . 3 1 1 A 101 101 GLY HA3 H 101 4.063 4.135 -0.072 1
1 1182 . 3 1 1 A 101 101 GLY C C 101 174.076 174.561 -0.485 1
1 1183 . 3 1 1 A 101 101 GLY CA C 101 45.501 45.597 -0.096 1
1 1184 . 3 1 1 A 101 101 GLY N N 101 109.148 114.242 -5.094 1
1 1185 . 3 1 1 A 102 102 SER H H 102 8.260 8.957 -0.697 1
1 1186 . 3 1 1 A 102 102 SER HA H 102 4.543 4.208 0.335 1
1 1189 . 3 1 1 A 102 102 SER C C 102 174.851 174.368 0.483 1
1 1190 . 3 1 1 A 102 102 SER CA C 102 58.646 61.539 -2.893 1
1 1191 . 3 1 1 A 102 102 SER CB C 102 64.211 63.641 0.570 1
1 1192 . 3 1 1 A 102 102 SER N N 102 116.298 119.814 -3.516 1
1 1193 . 3 1 1 A 103 103 GLY H H 103 8.252 7.425 0.827 1
1 1194 . 3 1 1 A 103 103 GLY HA2 H 103 4.173 4.028 0.145 1
1 1195 . 3 1 1 A 103 103 GLY HA3 H 103 4.074 4.029 0.045 1
1 1196 . 3 1 1 A 103 103 GLY C C 103 171.773 171.331 0.442 1
1 1197 . 3 1 1 A 103 103 GLY CA C 103 44.777 45.278 -0.501 1
1 1198 . 3 1 1 A 103 103 GLY N N 103 110.162 106.073 4.089 1
1 1199 . 3 1 1 A 104 104 PRO HA H 104 4.515 4.526 -0.011 1
1 1206 . 3 1 1 A 104 104 PRO CA C 104 63.224 62.540 0.684 1
1 1207 . 3 1 1 A 104 104 PRO CB C 104 32.174 33.210 -1.036 1
1 1210 . 3 1 1 A 105 105 SER H H 105 8.559 8.570 -0.011 1
1 1211 . 3 1 1 A 105 105 SER CA C 105 60.998 61.165 -0.167 1
1 1212 . 3 1 1 A 105 105 SER CB C 105 63.768 63.235 0.533 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.952 3.916 0.036 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.952 3.938 0.014 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.197 174.184 0.013 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.378 46.614 -1.236 1
1 5 . 4 1 1 A 8 8 LEU H H 8 8.030 7.559 0.471 1
1 6 . 4 1 1 A 8 8 LEU HA H 8 4.321 4.765 -0.444 1
1 16 . 4 1 1 A 8 8 LEU C C 8 177.468 176.157 1.311 1
1 17 . 4 1 1 A 8 8 LEU CA C 8 55.320 53.428 1.892 1
1 18 . 4 1 1 A 8 8 LEU CB C 8 42.556 45.212 -2.656 1
1 22 . 4 1 1 A 8 8 LEU N N 8 121.494 120.501 0.993 1
1 23 . 4 1 1 A 9 9 GLU H H 9 8.577 8.775 -0.198 1
1 24 . 4 1 1 A 9 9 GLU HA H 9 4.454 4.448 0.006 1
1 29 . 4 1 1 A 9 9 GLU C C 9 177.056 177.181 -0.125 1
1 30 . 4 1 1 A 9 9 GLU CA C 9 56.956 55.455 1.501 1
1 31 . 4 1 1 A 9 9 GLU CB C 9 30.237 30.134 0.103 1
1 33 . 4 1 1 A 9 9 GLU N N 9 121.449 124.035 -2.586 1
1 34 . 4 1 1 A 10 10 THR H H 10 8.189 8.786 -0.597 1
1 35 . 4 1 1 A 10 10 THR HA H 10 4.323 3.572 0.751 1
1 40 . 4 1 1 A 10 10 THR CA C 10 62.062 66.281 -4.219 1
1 41 . 4 1 1 A 10 10 THR CB C 10 69.441 68.866 0.575 1
1 43 . 4 1 1 A 10 10 THR N N 10 113.730 114.747 -1.017 1
1 44 . 4 1 1 A 11 11 SER H H 11 7.883 7.622 0.261 1
1 45 . 4 1 1 A 11 11 SER HA H 11 5.249 4.442 0.807 1
1 48 . 4 1 1 A 11 11 SER CA C 11 57.852 59.544 -1.692 1
1 49 . 4 1 1 A 11 11 SER CB C 11 65.426 63.587 1.839 1
1 50 . 4 1 1 A 12 12 SER H H 12 8.413 8.295 0.118 1
1 51 . 4 1 1 A 12 12 SER HA H 12 4.467 4.651 -0.184 1
1 54 . 4 1 1 A 12 12 SER CA C 12 58.741 56.598 2.143 1
1 55 . 4 1 1 A 12 12 SER CB C 12 65.239 65.169 0.070 1
1 56 . 4 1 1 A 12 12 SER N N 12 116.995 119.113 -2.118 1
1 57 . 4 1 1 A 13 13 TYR H H 13 8.156 7.930 0.226 1
1 58 . 4 1 1 A 13 13 TYR HA H 13 4.936 4.974 -0.038 1
1 65 . 4 1 1 A 13 13 TYR CA C 13 58.533 56.041 2.492 1
1 68 . 4 1 1 A 13 13 TYR N N 13 121.972 120.911 1.061 1
1 69 . 4 1 1 A 14 14 LEU H H 14 8.803 8.920 -0.117 1
1 70 . 4 1 1 A 14 14 LEU HA H 14 4.573 4.868 -0.295 1
1 80 . 4 1 1 A 14 14 LEU C C 14 175.845 175.537 0.308 1
1 81 . 4 1 1 A 14 14 LEU CA C 14 54.141 53.077 1.064 1
1 82 . 4 1 1 A 14 14 LEU CB C 14 46.603 44.241 2.362 1
1 86 . 4 1 1 A 14 14 LEU N N 14 123.967 126.199 -2.232 1
1 87 . 4 1 1 A 15 15 ASN H H 15 8.090 8.822 -0.732 1
1 88 . 4 1 1 A 15 15 ASN HA H 15 5.669 5.124 0.545 1
1 93 . 4 1 1 A 15 15 ASN C C 15 174.972 174.373 0.599 1
1 94 . 4 1 1 A 15 15 ASN CA C 15 51.589 52.767 -1.178 1
1 95 . 4 1 1 A 15 15 ASN CB C 15 40.317 39.399 0.918 1
1 96 . 4 1 1 A 15 15 ASN N N 15 117.248 120.212 -2.964 1
1 98 . 4 1 1 A 16 16 VAL H H 16 9.452 8.251 1.201 1
1 99 . 4 1 1 A 16 16 VAL HA H 16 4.743 4.610 0.133 1
1 107 . 4 1 1 A 16 16 VAL C C 16 174.269 176.209 -1.940 1
1 108 . 4 1 1 A 16 16 VAL CA C 16 60.574 61.813 -1.239 1
1 109 . 4 1 1 A 16 16 VAL CB C 16 35.194 32.703 2.491 1
1 112 . 4 1 1 A 16 16 VAL N N 16 122.909 125.730 -2.821 1
1 113 . 4 1 1 A 17 17 LEU H H 17 7.892 8.824 -0.932 1
1 114 . 4 1 1 A 17 17 LEU HA H 17 3.679 3.895 -0.216 1
1 124 . 4 1 1 A 17 17 LEU C C 17 175.747 175.050 0.697 1
1 125 . 4 1 1 A 17 17 LEU CA C 17 54.493 56.035 -1.542 1
1 126 . 4 1 1 A 17 17 LEU CB C 17 40.541 41.638 -1.097 1
1 130 . 4 1 1 A 17 17 LEU N N 17 130.093 131.078 -0.985 1
1 131 . 4 1 1 A 18 18 VAL H H 18 8.923 8.595 0.328 1
1 132 . 4 1 1 A 18 18 VAL HA H 18 4.053 4.288 -0.235 1
1 140 . 4 1 1 A 18 18 VAL C C 18 175.869 175.767 0.102 1
1 141 . 4 1 1 A 18 18 VAL CA C 18 61.285 61.237 0.048 1
1 142 . 4 1 1 A 18 18 VAL CB C 18 33.609 34.322 -0.713 1
1 145 . 4 1 1 A 18 18 VAL N N 18 130.417 127.574 2.843 1
1 146 . 4 1 1 A 19 19 ASN H H 19 9.323 9.366 -0.043 1
1 147 . 4 1 1 A 19 19 ASN HA H 19 4.232 4.315 -0.083 1
1 152 . 4 1 1 A 19 19 ASN C C 19 174.948 175.057 -0.109 1
1 153 . 4 1 1 A 19 19 ASN CA C 19 54.809 54.547 0.262 1
1 154 . 4 1 1 A 19 19 ASN CB C 19 37.192 36.678 0.514 1
1 155 . 4 1 1 A 19 19 ASN N N 19 127.579 127.644 -0.065 1
1 157 . 4 1 1 A 20 20 SER H H 20 8.464 8.404 0.060 1
1 158 . 4 1 1 A 20 20 SER HA H 20 3.653 3.925 -0.272 1
1 161 . 4 1 1 A 20 20 SER C C 20 172.645 172.852 -0.207 1
1 162 . 4 1 1 A 20 20 SER CA C 20 60.458 59.173 1.285 1
1 163 . 4 1 1 A 20 20 SER CB C 20 62.584 61.901 0.683 1
1 164 . 4 1 1 A 20 20 SER N N 20 106.869 111.510 -4.641 1
1 165 . 4 1 1 A 21 21 GLN H H 21 7.695 7.309 0.386 1
1 166 . 4 1 1 A 21 21 GLN HA H 21 4.591 4.643 -0.052 1
1 173 . 4 1 1 A 21 21 GLN C C 21 174.003 174.605 -0.602 1
1 174 . 4 1 1 A 21 21 GLN CA C 21 53.772 54.402 -0.630 1
1 175 . 4 1 1 A 21 21 GLN CB C 21 32.069 32.000 0.069 1
1 177 . 4 1 1 A 21 21 GLN N N 21 120.372 117.886 2.486 1
1 179 . 4 1 1 A 22 22 TRP H H 22 8.743 8.672 0.071 1
1 180 . 4 1 1 A 22 22 TRP HA H 22 4.690 4.817 -0.127 1
1 189 . 4 1 1 A 22 22 TRP C C 22 176.863 176.597 0.266 1
1 190 . 4 1 1 A 22 22 TRP CA C 22 57.062 57.783 -0.721 1
1 191 . 4 1 1 A 22 22 TRP CB C 22 29.323 29.216 0.107 1
1 197 . 4 1 1 A 22 22 TRP N N 22 124.919 124.209 0.710 1
1 199 . 4 1 1 A 23 23 LYS H H 23 9.302 8.550 0.752 1
1 200 . 4 1 1 A 23 23 LYS HA H 23 4.798 4.942 -0.144 1
1 208 . 4 1 1 A 23 23 LYS C C 23 176.050 176.080 -0.030 1
1 209 . 4 1 1 A 23 23 LYS CA C 23 54.106 54.243 -0.137 1
1 210 . 4 1 1 A 23 23 LYS CB C 23 35.583 35.379 0.204 1
1 214 . 4 1 1 A 23 23 LYS N N 23 124.474 125.366 -0.892 1
1 215 . 4 1 1 A 24 24 SER H H 24 8.740 8.644 0.096 1
1 216 . 4 1 1 A 24 24 SER HA H 24 5.035 4.644 0.391 1
1 219 . 4 1 1 A 24 24 SER C C 24 175.905 173.866 2.039 1
1 220 . 4 1 1 A 24 24 SER CA C 24 58.857 58.439 0.418 1
1 221 . 4 1 1 A 24 24 SER CB C 24 63.489 63.254 0.235 1
1 222 . 4 1 1 A 24 24 SER N N 24 118.568 117.865 0.703 1
1 223 . 4 1 1 A 25 25 ARG H H 25 9.302 8.204 1.098 1
1 224 . 4 1 1 A 25 25 ARG HA H 25 4.946 5.086 -0.140 1
1 231 . 4 1 1 A 25 25 ARG C C 25 173.724 174.722 -0.998 1
1 232 . 4 1 1 A 25 25 ARG CA C 25 54.440 54.925 -0.485 1
1 233 . 4 1 1 A 25 25 ARG CB C 25 34.825 33.982 0.843 1
1 236 . 4 1 1 A 25 25 ARG N N 25 126.895 124.888 2.007 1
1 237 . 4 1 1 A 26 26 TRP H H 26 8.668 9.298 -0.630 1
1 238 . 4 1 1 A 26 26 TRP HA H 26 4.780 5.004 -0.224 1
1 247 . 4 1 1 A 26 26 TRP C C 26 175.796 175.529 0.267 1
1 248 . 4 1 1 A 26 26 TRP CA C 26 57.555 57.220 0.335 1
1 249 . 4 1 1 A 26 26 TRP CB C 26 29.833 30.654 -0.821 1
1 255 . 4 1 1 A 26 26 TRP N N 26 123.493 128.023 -4.530 1
1 257 . 4 1 1 A 27 27 CYS H H 27 8.884 8.251 0.633 1
1 258 . 4 1 1 A 27 27 CYS HA H 27 5.668 5.383 0.285 1
1 261 . 4 1 1 A 27 27 CYS C C 27 174.560 173.636 0.924 1
1 262 . 4 1 1 A 27 27 CYS CA C 27 58.184 57.189 0.995 1
1 263 . 4 1 1 A 27 27 CYS CB C 27 31.516 29.671 1.845 1
1 264 . 4 1 1 A 27 27 CYS N N 27 124.947 126.141 -1.194 1
1 265 . 4 1 1 A 28 28 SER H H 28 8.566 8.756 -0.190 1
1 266 . 4 1 1 A 28 28 SER HA H 28 5.240 5.426 -0.186 1
1 269 . 4 1 1 A 28 28 SER C C 28 173.106 173.215 -0.109 1
1 270 . 4 1 1 A 28 28 SER CA C 28 57.027 57.927 -0.900 1
1 271 . 4 1 1 A 28 28 SER CB C 28 66.738 65.998 0.740 1
1 272 . 4 1 1 A 28 28 SER N N 28 114.751 120.174 -5.423 1
1 273 . 4 1 1 A 29 29 VAL H H 29 8.843 9.043 -0.200 1
1 274 . 4 1 1 A 29 29 VAL HA H 29 5.302 5.240 0.062 1
1 282 . 4 1 1 A 29 29 VAL C C 29 175.905 175.434 0.471 1
1 283 . 4 1 1 A 29 29 VAL CA C 29 61.233 61.457 -0.224 1
1 284 . 4 1 1 A 29 29 VAL CB C 29 32.832 33.325 -0.493 1
1 287 . 4 1 1 A 29 29 VAL N N 29 125.688 127.955 -2.267 1
1 288 . 4 1 1 A 30 30 ARG H H 30 8.964 9.261 -0.297 1
1 289 . 4 1 1 A 30 30 ARG HA H 30 4.620 4.547 0.073 1
1 295 . 4 1 1 A 30 30 ARG C C 30 176.160 174.803 1.357 1
1 296 . 4 1 1 A 30 30 ARG CA C 30 55.901 56.243 -0.342 1
1 297 . 4 1 1 A 30 30 ARG CB C 30 33.198 33.096 0.102 1
1 300 . 4 1 1 A 30 30 ARG N N 30 125.513 125.490 0.023 1
1 301 . 4 1 1 A 31 31 ASP H H 31 9.773 9.442 0.331 1
1 302 . 4 1 1 A 31 31 ASP HA H 31 4.451 4.406 0.045 1
1 305 . 4 1 1 A 31 31 ASP C C 31 177.008 175.495 1.513 1
1 306 . 4 1 1 A 31 31 ASP CA C 31 55.936 55.671 0.265 1
1 307 . 4 1 1 A 31 31 ASP CB C 31 39.659 39.388 0.271 1
1 308 . 4 1 1 A 31 31 ASP N N 31 127.085 127.218 -0.133 1
1 309 . 4 1 1 A 32 32 ASN H H 32 9.639 8.176 1.463 1
1 310 . 4 1 1 A 32 32 ASN HA H 32 4.535 4.540 -0.005 1
1 315 . 4 1 1 A 32 32 ASN C C 32 172.766 173.877 -1.111 1
1 316 . 4 1 1 A 32 32 ASN CA C 32 55.549 54.743 0.806 1
1 317 . 4 1 1 A 32 32 ASN CB C 32 38.238 37.141 1.097 1
1 318 . 4 1 1 A 32 32 ASN N N 32 112.101 108.563 3.538 1
1 320 . 4 1 1 A 33 33 HIS H H 33 8.292 7.809 0.483 1
1 321 . 4 1 1 A 33 33 HIS HA H 33 5.368 5.591 -0.223 1
1 326 . 4 1 1 A 33 33 HIS C C 33 172.718 173.498 -0.780 1
1 327 . 4 1 1 A 33 33 HIS CA C 33 55.303 54.789 0.514 1
1 328 . 4 1 1 A 33 33 HIS CB C 33 32.851 34.271 -1.420 1
1 331 . 4 1 1 A 33 33 HIS N N 33 116.294 116.291 0.003 1
1 332 . 4 1 1 A 34 34 LEU H H 34 8.987 8.959 0.028 1
1 333 . 4 1 1 A 34 34 LEU HA H 34 4.784 4.995 -0.211 1
1 342 . 4 1 1 A 34 34 LEU C C 34 173.240 175.139 -1.899 1
1 343 . 4 1 1 A 34 34 LEU CA C 34 53.719 53.556 0.163 1
1 344 . 4 1 1 A 34 34 LEU CB C 34 45.147 43.744 1.403 1
1 348 . 4 1 1 A 34 34 LEU N N 34 122.961 125.489 -2.528 1
1 349 . 4 1 1 A 35 35 HIS H H 35 9.169 9.806 -0.637 1
1 350 . 4 1 1 A 35 35 HIS HA H 35 4.713 5.121 -0.408 1
1 355 . 4 1 1 A 35 35 HIS C C 35 174.778 174.773 0.005 1
1 356 . 4 1 1 A 35 35 HIS CA C 35 55.284 55.930 -0.646 1
1 357 . 4 1 1 A 35 35 HIS CB C 35 34.455 32.094 2.361 1
1 360 . 4 1 1 A 35 35 HIS N N 35 125.201 126.293 -1.092 1
1 361 . 4 1 1 A 36 36 PHE H H 36 9.522 8.817 0.705 1
1 362 . 4 1 1 A 36 36 PHE HA H 36 5.014 5.493 -0.479 1
1 370 . 4 1 1 A 36 36 PHE C C 36 174.911 173.790 1.121 1
1 371 . 4 1 1 A 36 36 PHE CA C 36 56.217 56.390 -0.173 1
1 372 . 4 1 1 A 36 36 PHE CB C 36 43.666 42.853 0.813 1
1 378 . 4 1 1 A 36 36 PHE N N 36 118.294 118.404 -0.110 1
1 379 . 4 1 1 A 37 37 TYR H H 37 9.783 8.923 0.860 1
1 380 . 4 1 1 A 37 37 TYR HA H 37 5.453 5.095 0.358 1
1 387 . 4 1 1 A 37 37 TYR C C 37 176.475 175.551 0.924 1
1 388 . 4 1 1 A 37 37 TYR CA C 37 57.185 56.812 0.373 1
1 389 . 4 1 1 A 37 37 TYR CB C 37 41.569 43.738 -2.169 1
1 394 . 4 1 1 A 37 37 TYR N N 37 121.241 119.922 1.319 1
1 395 . 4 1 1 A 38 38 GLN H H 38 9.233 9.170 0.063 1
1 396 . 4 1 1 A 38 38 GLN HA H 38 4.480 4.739 -0.259 1
1 403 . 4 1 1 A 38 38 GLN C C 38 175.408 175.904 -0.496 1
1 404 . 4 1 1 A 38 38 GLN CA C 38 57.977 56.918 1.059 1
1 405 . 4 1 1 A 38 38 GLN CB C 38 29.825 30.782 -0.957 1
1 407 . 4 1 1 A 38 38 GLN N N 38 119.348 120.487 -1.139 1
1 409 . 4 1 1 A 39 39 ASP H H 39 8.674 7.129 1.545 1
1 410 . 4 1 1 A 39 39 ASP HA H 39 4.849 4.662 0.187 1
1 413 . 4 1 1 A 39 39 ASP CA C 39 52.402 53.739 -1.337 1
1 414 . 4 1 1 A 39 39 ASP CB C 39 43.525 41.998 1.527 1
1 415 . 4 1 1 A 40 40 ARG H H 40 7.823 8.547 -0.724 1
1 416 . 4 1 1 A 40 40 ARG HA H 40 2.342 3.389 -1.047 1
1 423 . 4 1 1 A 40 40 ARG CA C 40 57.183 58.728 -1.545 1
1 424 . 4 1 1 A 40 40 ARG CB C 40 29.300 30.425 -1.125 1
1 427 . 4 1 1 A 40 40 ARG N N 40 119.412 121.747 -2.335 1
1 428 . 4 1 1 A 41 41 ASN H H 41 7.601 7.711 -0.110 1
1 429 . 4 1 1 A 41 41 ASN HA H 41 4.408 4.489 -0.081 1
1 434 . 4 1 1 A 41 41 ASN C C 41 174.584 174.485 0.099 1
1 435 . 4 1 1 A 41 41 ASN CA C 41 53.396 51.439 1.957 1
1 436 . 4 1 1 A 41 41 ASN CB C 41 37.847 36.672 1.175 1
1 437 . 4 1 1 A 41 41 ASN N N 41 114.895 116.131 -1.236 1
1 439 . 4 1 1 A 42 42 ARG H H 42 7.927 7.485 0.442 1
1 440 . 4 1 1 A 42 42 ARG HA H 42 3.271 3.479 -0.208 1
1 446 . 4 1 1 A 42 42 ARG CA C 42 57.164 56.455 0.709 1
1 449 . 4 1 1 A 42 42 ARG N N 42 115.263 114.699 0.564 1
1 450 . 4 1 1 A 43 43 SER H H 43 9.112 7.766 1.346 1
1 451 . 4 1 1 A 43 43 SER HA H 43 4.444 4.298 0.146 1
1 454 . 4 1 1 A 43 43 SER CA C 43 59.742 61.054 -1.312 1
1 455 . 4 1 1 A 43 43 SER CB C 43 64.693 63.505 1.188 1
1 456 . 4 1 1 A 43 43 SER N N 43 115.094 113.319 1.775 1
1 457 . 4 1 1 A 44 44 LYS H H 44 8.543 7.994 0.549 1
1 458 . 4 1 1 A 44 44 LYS HA H 44 4.784 4.778 0.006 1
1 464 . 4 1 1 A 44 44 LYS C C 44 175.723 175.460 0.263 1
1 465 . 4 1 1 A 44 44 LYS CA C 44 55.091 54.720 0.371 1
1 466 . 4 1 1 A 44 44 LYS CB C 44 34.642 34.560 0.082 1
1 470 . 4 1 1 A 45 45 VAL H H 45 8.965 8.904 0.061 1
1 471 . 4 1 1 A 45 45 VAL HA H 45 4.043 4.336 -0.293 1
1 479 . 4 1 1 A 45 45 VAL C C 45 176.656 176.761 -0.105 1
1 480 . 4 1 1 A 45 45 VAL CA C 45 63.883 62.788 1.095 1
1 481 . 4 1 1 A 45 45 VAL CB C 45 32.621 32.453 0.168 1
1 484 . 4 1 1 A 45 45 VAL N N 45 127.663 126.867 0.796 1
1 485 . 4 1 1 A 46 46 ALA H H 46 9.214 8.337 0.877 1
1 486 . 4 1 1 A 46 46 ALA HA H 46 4.523 4.377 0.146 1
1 490 . 4 1 1 A 46 46 ALA C C 46 176.560 177.500 -0.940 1
1 491 . 4 1 1 A 46 46 ALA CA C 46 52.610 53.966 -1.356 1
1 492 . 4 1 1 A 46 46 ALA CB C 46 20.929 20.188 0.741 1
1 493 . 4 1 1 A 46 46 ALA N N 46 129.165 128.497 0.668 1
1 494 . 4 1 1 A 47 47 GLN H H 47 7.504 7.646 -0.142 1
1 495 . 4 1 1 A 47 47 GLN HA H 47 4.494 4.512 -0.018 1
1 502 . 4 1 1 A 47 47 GLN C C 47 173.057 174.378 -1.321 1
1 503 . 4 1 1 A 47 47 GLN CA C 47 54.458 54.719 -0.261 1
1 504 . 4 1 1 A 47 47 GLN CB C 47 30.918 29.983 0.935 1
1 506 . 4 1 1 A 47 47 GLN N N 47 112.591 112.404 0.187 1
1 508 . 4 1 1 A 48 48 GLN H H 48 8.541 8.201 0.340 1
1 509 . 4 1 1 A 48 48 GLN HA H 48 4.420 4.522 -0.102 1
1 516 . 4 1 1 A 48 48 GLN C C 48 172.864 173.973 -1.109 1
1 517 . 4 1 1 A 48 48 GLN CA C 48 54.774 54.290 0.484 1
1 518 . 4 1 1 A 48 48 GLN CB C 48 28.017 27.893 0.124 1
1 520 . 4 1 1 A 48 48 GLN N N 48 120.933 119.471 1.462 1
1 522 . 4 1 1 A 49 49 PRO HA H 49 4.963 4.634 0.329 1
1 529 . 4 1 1 A 49 49 PRO C C 49 177.105 175.407 1.698 1
1 530 . 4 1 1 A 49 49 PRO CA C 49 63.010 62.343 0.667 1
1 531 . 4 1 1 A 49 49 PRO CB C 49 32.625 32.249 0.376 1
1 534 . 4 1 1 A 50 50 LEU H H 50 8.937 8.819 0.118 1
1 535 . 4 1 1 A 50 50 LEU HA H 50 4.742 5.088 -0.346 1
1 545 . 4 1 1 A 50 50 LEU C C 50 176.147 175.827 0.320 1
1 546 . 4 1 1 A 50 50 LEU CA C 50 53.120 53.146 -0.026 1
1 547 . 4 1 1 A 50 50 LEU CB C 50 45.352 45.379 -0.027 1
1 551 . 4 1 1 A 50 50 LEU N N 50 121.454 121.909 -0.455 1
1 552 . 4 1 1 A 51 51 SER H H 51 8.771 8.823 -0.052 1
1 553 . 4 1 1 A 51 51 SER HA H 51 3.434 3.789 -0.355 1
1 556 . 4 1 1 A 51 51 SER C C 51 175.081 174.326 0.755 1
1 557 . 4 1 1 A 51 51 SER CA C 51 57.936 57.365 0.571 1
1 558 . 4 1 1 A 51 51 SER CB C 51 62.378 62.461 -0.083 1
1 559 . 4 1 1 A 51 51 SER N N 51 120.178 119.828 0.350 1
1 560 . 4 1 1 A 52 52 LEU H H 52 8.045 8.066 -0.021 1
1 561 . 4 1 1 A 52 52 LEU HA H 52 4.443 3.888 0.555 1
1 571 . 4 1 1 A 52 52 LEU C C 52 177.916 177.948 -0.032 1
1 572 . 4 1 1 A 52 52 LEU CA C 52 55.105 57.999 -2.894 1
1 573 . 4 1 1 A 52 52 LEU CB C 52 42.762 41.344 1.418 1
1 577 . 4 1 1 A 52 52 LEU N N 52 125.348 127.098 -1.750 1
1 578 . 4 1 1 A 53 53 VAL H H 53 7.418 7.028 0.390 1
1 579 . 4 1 1 A 53 53 VAL HA H 53 3.841 4.189 -0.348 1
1 587 . 4 1 1 A 53 53 VAL C C 53 178.123 177.189 0.934 1
1 588 . 4 1 1 A 53 53 VAL CA C 53 64.893 64.849 0.044 1
1 589 . 4 1 1 A 53 53 VAL CB C 53 30.973 31.202 -0.229 1
1 592 . 4 1 1 A 53 53 VAL N N 53 119.590 118.154 1.436 1
1 593 . 4 1 1 A 54 54 GLY H H 54 9.187 8.541 0.646 1
1 594 . 4 1 1 A 54 54 GLY HA2 H 54 4.292 3.996 0.296 1
1 595 . 4 1 1 A 54 54 GLY HA3 H 54 3.934 4.048 -0.114 1
1 596 . 4 1 1 A 54 54 GLY C C 54 175.275 174.901 0.374 1
1 597 . 4 1 1 A 54 54 GLY CA C 54 45.906 45.033 0.873 1
1 598 . 4 1 1 A 54 54 GLY N N 54 115.764 114.907 0.857 1
1 599 . 4 1 1 A 55 55 CYS H H 55 7.871 8.318 -0.447 1
1 600 . 4 1 1 A 55 55 CYS HA H 55 5.052 4.606 0.446 1
1 603 . 4 1 1 A 55 55 CYS C C 55 174.112 173.594 0.518 1
1 604 . 4 1 1 A 55 55 CYS CA C 55 60.352 59.486 0.866 1
1 605 . 4 1 1 A 55 55 CYS CB C 55 28.779 29.390 -0.611 1
1 606 . 4 1 1 A 55 55 CYS N N 55 117.748 120.241 -2.493 1
1 607 . 4 1 1 A 56 56 GLU H H 56 9.140 8.758 0.382 1
1 608 . 4 1 1 A 56 56 GLU HA H 56 4.672 4.857 -0.185 1
1 612 . 4 1 1 A 56 56 GLU C C 56 175.105 174.728 0.377 1
1 613 . 4 1 1 A 56 56 GLU CA C 56 55.179 55.361 -0.182 1
1 614 . 4 1 1 A 56 56 GLU CB C 56 33.097 33.360 -0.263 1
1 616 . 4 1 1 A 56 56 GLU N N 56 120.179 122.340 -2.161 1
1 617 . 4 1 1 A 57 57 VAL H H 57 8.385 8.865 -0.480 1
1 618 . 4 1 1 A 57 57 VAL HA H 57 5.238 4.629 0.609 1
1 626 . 4 1 1 A 57 57 VAL C C 57 175.238 175.789 -0.551 1
1 627 . 4 1 1 A 57 57 VAL CA C 57 61.064 62.315 -1.251 1
1 628 . 4 1 1 A 57 57 VAL CB C 57 33.429 32.024 1.405 1
1 631 . 4 1 1 A 57 57 VAL N N 57 122.535 127.590 -5.055 1
1 632 . 4 1 1 A 58 58 VAL H H 58 8.884 9.063 -0.179 1
1 633 . 4 1 1 A 58 58 VAL HA H 58 5.053 4.892 0.161 1
1 641 . 4 1 1 A 58 58 VAL C C 58 174.027 173.231 0.796 1
1 642 . 4 1 1 A 58 58 VAL CA C 58 57.977 57.882 0.095 1
1 643 . 4 1 1 A 58 58 VAL CB C 58 35.583 34.774 0.809 1
1 646 . 4 1 1 A 58 58 VAL N N 58 122.081 121.825 0.256 1
1 647 . 4 1 1 A 59 59 PRO HA H 59 4.573 4.913 -0.340 1
1 654 . 4 1 1 A 59 59 PRO C C 59 175.457 175.207 0.250 1
1 655 . 4 1 1 A 59 59 PRO CA C 59 63.643 62.423 1.220 1
1 656 . 4 1 1 A 59 59 PRO CB C 59 32.915 30.081 2.834 1
1 659 . 4 1 1 A 60 60 ASP H H 60 8.989 8.468 0.521 1
1 660 . 4 1 1 A 60 60 ASP HA H 60 5.179 5.311 -0.132 1
1 663 . 4 1 1 A 60 60 ASP C C 60 172.742 174.170 -1.428 1
1 664 . 4 1 1 A 60 60 ASP CA C 60 52.698 51.011 1.687 1
1 665 . 4 1 1 A 60 60 ASP CB C 60 43.314 41.438 1.876 1
1 666 . 4 1 1 A 60 60 ASP N N 60 122.718 123.503 -0.785 1
1 667 . 4 1 1 A 61 61 PRO HA H 61 4.681 4.697 -0.016 1
1 674 . 4 1 1 A 61 61 PRO C C 61 177.420 175.402 2.018 1
1 675 . 4 1 1 A 61 61 PRO CA C 61 63.594 62.498 1.096 1
1 676 . 4 1 1 A 61 61 PRO CB C 61 32.950 32.598 0.352 1
1 679 . 4 1 1 A 62 62 SER H H 62 7.803 8.233 -0.430 1
1 680 . 4 1 1 A 62 62 SER HA H 62 4.797 5.049 -0.252 1
1 683 . 4 1 1 A 62 62 SER C C 62 174.851 174.931 -0.080 1
1 684 . 4 1 1 A 62 62 SER CA C 62 56.896 55.930 0.966 1
1 685 . 4 1 1 A 62 62 SER CB C 62 63.959 65.134 -1.175 1
1 686 . 4 1 1 A 62 62 SER N N 62 115.582 116.091 -0.509 1
1 687 . 4 1 1 A 63 63 PRO HA H 63 4.089 4.482 -0.393 1
1 694 . 4 1 1 A 63 63 PRO C C 63 177.105 176.825 0.280 1
1 695 . 4 1 1 A 63 63 PRO CA C 63 66.024 64.110 1.914 1
1 696 . 4 1 1 A 63 63 PRO CB C 63 31.763 31.488 0.275 1
1 699 . 4 1 1 A 64 64 ASP H H 64 8.361 8.457 -0.096 1
1 700 . 4 1 1 A 64 64 ASP HA H 64 4.290 4.877 -0.587 1
1 703 . 4 1 1 A 64 64 ASP C C 64 174.802 175.102 -0.300 1
1 704 . 4 1 1 A 64 64 ASP CA C 64 54.458 54.393 0.065 1
1 705 . 4 1 1 A 64 64 ASP CB C 64 40.481 43.489 -3.008 1
1 706 . 4 1 1 A 64 64 ASP N N 64 111.867 117.564 -5.697 1
1 707 . 4 1 1 A 65 65 HIS H H 65 7.781 7.592 0.189 1
1 708 . 4 1 1 A 65 65 HIS HA H 65 4.558 4.640 -0.082 1
1 713 . 4 1 1 A 65 65 HIS C C 65 174.972 174.595 0.377 1
1 714 . 4 1 1 A 65 65 HIS CA C 65 54.370 54.376 -0.006 1
1 715 . 4 1 1 A 65 65 HIS CB C 65 28.450 31.673 -3.223 1
1 718 . 4 1 1 A 65 65 HIS N N 65 120.793 115.134 5.659 1
1 719 . 4 1 1 A 66 66 LEU H H 66 8.206 8.081 0.125 1
1 720 . 4 1 1 A 66 66 LEU HA H 66 3.893 4.227 -0.334 1
1 730 . 4 1 1 A 66 66 LEU C C 66 178.826 176.415 2.411 1
1 731 . 4 1 1 A 66 66 LEU CA C 66 57.857 54.369 3.488 1
1 732 . 4 1 1 A 66 66 LEU CB C 66 42.245 41.473 0.772 1
1 736 . 4 1 1 A 66 66 LEU N N 66 124.390 124.799 -0.409 1
1 737 . 4 1 1 A 67 67 TYR H H 67 8.612 7.663 0.949 1
1 738 . 4 1 1 A 67 67 TYR HA H 67 5.417 4.897 0.520 1
1 745 . 4 1 1 A 67 67 TYR C C 67 176.403 174.520 1.883 1
1 746 . 4 1 1 A 67 67 TYR CA C 67 55.320 57.370 -2.050 1
1 747 . 4 1 1 A 67 67 TYR CB C 67 35.524 38.159 -2.635 1
1 752 . 4 1 1 A 67 67 TYR N N 67 118.042 119.369 -1.327 1
1 753 . 4 1 1 A 68 68 SER H H 68 6.652 7.795 -1.143 1
1 754 . 4 1 1 A 68 68 SER HA H 68 5.742 5.200 0.542 1
1 757 . 4 1 1 A 68 68 SER C C 68 174.827 173.110 1.717 1
1 758 . 4 1 1 A 68 68 SER CA C 68 56.147 56.166 -0.019 1
1 759 . 4 1 1 A 68 68 SER CB C 68 65.504 65.708 -0.204 1
1 760 . 4 1 1 A 68 68 SER N N 68 111.076 116.656 -5.580 1
1 761 . 4 1 1 A 69 69 PHE H H 69 9.089 8.631 0.458 1
1 762 . 4 1 1 A 69 69 PHE HA H 69 5.212 5.689 -0.477 1
1 770 . 4 1 1 A 69 69 PHE C C 69 171.676 172.883 -1.207 1
1 771 . 4 1 1 A 69 69 PHE CA C 69 55.918 55.397 0.521 1
1 772 . 4 1 1 A 69 69 PHE CB C 69 41.034 43.163 -2.129 1
1 778 . 4 1 1 A 69 69 PHE N N 69 121.539 120.888 0.651 1
1 779 . 4 1 1 A 70 70 ARG H H 70 9.299 8.916 0.383 1
1 780 . 4 1 1 A 70 70 ARG HA H 70 5.333 5.114 0.219 1
1 787 . 4 1 1 A 70 70 ARG C C 70 174.197 174.338 -0.141 1
1 788 . 4 1 1 A 70 70 ARG CA C 70 54.198 54.466 -0.268 1
1 789 . 4 1 1 A 70 70 ARG CB C 70 35.236 34.078 1.158 1
1 792 . 4 1 1 A 70 70 ARG N N 70 117.458 118.555 -1.097 1
1 794 . 4 1 1 A 71 71 ILE H H 71 8.505 8.406 0.099 1
1 795 . 4 1 1 A 71 71 ILE HA H 71 4.974 5.148 -0.174 1
1 805 . 4 1 1 A 71 71 ILE C C 71 174.996 174.865 0.131 1
1 806 . 4 1 1 A 71 71 ILE CA C 71 60.622 59.826 0.796 1
1 807 . 4 1 1 A 71 71 ILE CB C 71 39.636 40.667 -1.031 1
1 811 . 4 1 1 A 71 71 ILE N N 71 119.757 123.140 -3.383 1
1 812 . 4 1 1 A 72 72 LEU H H 72 9.488 9.048 0.440 1
1 813 . 4 1 1 A 72 72 LEU HA H 72 5.473 5.354 0.119 1
1 823 . 4 1 1 A 72 72 LEU C C 72 176.172 175.482 0.690 1
1 824 . 4 1 1 A 72 72 LEU CA C 72 53.507 53.919 -0.412 1
1 825 . 4 1 1 A 72 72 LEU CB C 72 46.393 46.475 -0.082 1
1 829 . 4 1 1 A 72 72 LEU N N 72 128.277 124.877 3.400 1
1 830 . 4 1 1 A 73 73 HIS H H 73 9.087 9.432 -0.345 1
1 831 . 4 1 1 A 73 73 HIS HA H 73 4.888 4.926 -0.038 1
1 836 . 4 1 1 A 73 73 HIS C C 73 175.118 174.379 0.739 1
1 837 . 4 1 1 A 73 73 HIS CA C 73 56.675 55.477 1.198 1
1 838 . 4 1 1 A 73 73 HIS CB C 73 32.933 31.740 1.193 1
1 841 . 4 1 1 A 73 73 HIS N N 73 119.084 122.096 -3.012 1
1 842 . 4 1 1 A 74 74 LYS H H 74 9.551 9.510 0.041 1
1 843 . 4 1 1 A 74 74 LYS HA H 74 3.763 3.778 -0.015 1
1 852 . 4 1 1 A 74 74 LYS C C 74 176.851 176.660 0.191 1
1 853 . 4 1 1 A 74 74 LYS CA C 74 56.969 57.434 -0.465 1
1 854 . 4 1 1 A 74 74 LYS CB C 74 29.766 29.874 -0.108 1
1 858 . 4 1 1 A 74 74 LYS N N 74 128.764 127.419 1.345 1
1 859 . 4 1 1 A 75 75 GLY H H 75 8.877 8.402 0.475 1
1 860 . 4 1 1 A 75 75 GLY HA2 H 75 3.523 3.870 -0.347 1
1 861 . 4 1 1 A 75 75 GLY HA3 H 75 4.213 3.871 0.342 1
1 862 . 4 1 1 A 75 75 GLY C C 75 173.566 173.804 -0.238 1
1 863 . 4 1 1 A 75 75 GLY CA C 75 45.346 45.072 0.274 1
1 864 . 4 1 1 A 75 75 GLY N N 75 104.552 105.431 -0.879 1
1 865 . 4 1 1 A 76 76 GLU H H 76 7.922 7.864 0.058 1
1 866 . 4 1 1 A 76 76 GLU HA H 76 4.491 4.621 -0.130 1
1 871 . 4 1 1 A 76 76 GLU C C 76 175.651 175.425 0.226 1
1 872 . 4 1 1 A 76 76 GLU CA C 76 54.721 55.223 -0.502 1
1 873 . 4 1 1 A 76 76 GLU CB C 76 31.187 31.011 0.176 1
1 875 . 4 1 1 A 76 76 GLU N N 76 121.492 120.264 1.228 1
1 876 . 4 1 1 A 77 77 GLU H H 77 8.925 8.695 0.230 1
1 877 . 4 1 1 A 77 77 GLU HA H 77 4.309 4.540 -0.231 1
1 881 . 4 1 1 A 77 77 GLU C C 77 175.857 175.777 0.080 1
1 882 . 4 1 1 A 77 77 GLU CA C 77 57.412 56.689 0.723 1
1 883 . 4 1 1 A 77 77 GLU CB C 77 31.146 30.962 0.184 1
1 885 . 4 1 1 A 77 77 GLU N N 77 125.541 122.414 3.127 1
1 886 . 4 1 1 A 78 78 LEU H H 78 9.475 8.757 0.718 1
1 887 . 4 1 1 A 78 78 LEU HA H 78 4.513 4.414 0.099 1
1 897 . 4 1 1 A 78 78 LEU C C 78 177.541 176.626 0.915 1
1 898 . 4 1 1 A 78 78 LEU CA C 78 55.443 55.993 -0.550 1
1 899 . 4 1 1 A 78 78 LEU CB C 78 43.776 42.949 0.827 1
1 903 . 4 1 1 A 78 78 LEU N N 78 128.715 127.906 0.809 1
1 904 . 4 1 1 A 79 79 ALA H H 79 7.550 7.564 -0.014 1
1 905 . 4 1 1 A 79 79 ALA HA H 79 4.503 4.632 -0.129 1
1 909 . 4 1 1 A 79 79 ALA C C 79 174.342 175.235 -0.893 1
1 910 . 4 1 1 A 79 79 ALA CA C 79 51.906 51.562 0.344 1
1 911 . 4 1 1 A 79 79 ALA CB C 79 22.017 22.533 -0.516 1
1 912 . 4 1 1 A 79 79 ALA N N 79 116.317 116.519 -0.202 1
1 913 . 4 1 1 A 80 80 LYS H H 80 8.743 8.643 0.100 1
1 914 . 4 1 1 A 80 80 LYS HA H 80 4.725 4.851 -0.126 1
1 923 . 4 1 1 A 80 80 LYS C C 80 172.973 174.470 -1.497 1
1 924 . 4 1 1 A 80 80 LYS CA C 80 56.604 55.461 1.143 1
1 925 . 4 1 1 A 80 80 LYS CB C 80 34.331 36.066 -1.735 1
1 929 . 4 1 1 A 80 80 LYS N N 80 123.623 119.647 3.976 1
1 930 . 4 1 1 A 81 81 LEU H H 81 8.504 8.997 -0.493 1
1 931 . 4 1 1 A 81 81 LEU HA H 81 5.531 5.472 0.059 1
1 941 . 4 1 1 A 81 81 LEU C C 81 176.366 175.468 0.898 1
1 942 . 4 1 1 A 81 81 LEU CA C 81 53.665 53.079 0.586 1
1 943 . 4 1 1 A 81 81 LEU CB C 81 45.969 45.269 0.700 1
1 947 . 4 1 1 A 81 81 LEU N N 81 124.594 127.945 -3.351 1
1 948 . 4 1 1 A 82 82 GLU H H 82 9.018 8.616 0.402 1
1 949 . 4 1 1 A 82 82 GLU HA H 82 4.826 4.673 0.153 1
1 954 . 4 1 1 A 82 82 GLU C C 82 174.439 175.698 -1.259 1
1 955 . 4 1 1 A 82 82 GLU CA C 82 56.376 54.583 1.793 1
1 956 . 4 1 1 A 82 82 GLU CB C 82 32.852 33.147 -0.295 1
1 958 . 4 1 1 A 82 82 GLU N N 82 118.819 121.866 -3.047 1
1 959 . 4 1 1 A 83 83 ALA H H 83 8.027 8.900 -0.873 1
1 960 . 4 1 1 A 83 83 ALA HA H 83 4.980 4.567 0.413 1
1 964 . 4 1 1 A 83 83 ALA C C 83 176.439 179.194 -2.755 1
1 965 . 4 1 1 A 83 83 ALA CA C 83 50.059 51.369 -1.310 1
1 966 . 4 1 1 A 83 83 ALA CB C 83 21.702 20.291 1.411 1
1 967 . 4 1 1 A 83 83 ALA N N 83 127.765 129.018 -1.253 1
1 968 . 4 1 1 A 84 84 LYS H H 84 9.017 8.620 0.397 1
1 969 . 4 1 1 A 84 84 LYS HA H 84 4.432 4.442 -0.010 1
1 977 . 4 1 1 A 84 84 LYS C C 84 175.930 176.253 -0.323 1
1 978 . 4 1 1 A 84 84 LYS CA C 84 56.956 57.361 -0.405 1
1 979 . 4 1 1 A 84 84 LYS CB C 84 32.974 33.498 -0.524 1
1 983 . 4 1 1 A 84 84 LYS N N 84 115.456 116.637 -1.181 1
1 984 . 4 1 1 A 85 85 SER H H 85 7.324 7.675 -0.351 1
1 985 . 4 1 1 A 85 85 SER HA H 85 4.074 4.192 -0.118 1
1 988 . 4 1 1 A 85 85 SER C C 85 173.421 173.782 -0.361 1
1 989 . 4 1 1 A 85 85 SER CA C 85 56.038 55.760 0.278 1
1 990 . 4 1 1 A 85 85 SER CB C 85 66.506 65.172 1.334 1
1 991 . 4 1 1 A 85 85 SER N N 85 110.261 114.803 -4.542 1
1 992 . 4 1 1 A 86 86 SER H H 86 8.610 8.214 0.396 1
1 993 . 4 1 1 A 86 86 SER HA H 86 3.648 3.941 -0.293 1
1 996 . 4 1 1 A 86 86 SER C C 86 177.784 176.593 1.191 1
1 997 . 4 1 1 A 86 86 SER CA C 86 61.391 61.179 0.212 1
1 998 . 4 1 1 A 86 86 SER CB C 86 62.378 62.900 -0.522 1
1 999 . 4 1 1 A 86 86 SER N N 86 117.136 120.411 -3.275 1
1 1000 . 4 1 1 A 87 87 GLU H H 87 8.890 7.050 1.840 1
1 1001 . 4 1 1 A 87 87 GLU HA H 87 4.031 4.071 -0.040 1
1 1006 . 4 1 1 A 87 87 GLU C C 87 179.492 179.071 0.421 1
1 1007 . 4 1 1 A 87 87 GLU CA C 87 59.983 59.357 0.626 1
1 1008 . 4 1 1 A 87 87 GLU CB C 87 28.969 29.240 -0.271 1
1 1010 . 4 1 1 A 87 87 GLU N N 87 123.189 121.887 1.302 1
1 1011 . 4 1 1 A 88 88 GLU H H 88 8.015 8.200 -0.185 1
1 1012 . 4 1 1 A 88 88 GLU HA H 88 4.243 4.098 0.145 1
1 1017 . 4 1 1 A 88 88 GLU C C 88 178.472 178.819 -0.347 1
1 1018 . 4 1 1 A 88 88 GLU CA C 88 59.642 59.345 0.297 1
1 1019 . 4 1 1 A 88 88 GLU CB C 88 31.016 29.414 1.602 1
1 1021 . 4 1 1 A 88 88 GLU N N 88 121.015 119.890 1.125 1
1 1022 . 4 1 1 A 89 89 MET H H 89 8.334 8.456 -0.122 1
1 1023 . 4 1 1 A 89 89 MET HA H 89 3.843 4.331 -0.488 1
1 1030 . 4 1 1 A 89 89 MET C C 89 177.396 178.714 -1.318 1
1 1031 . 4 1 1 A 89 89 MET CA C 89 60.458 58.038 2.420 1
1 1032 . 4 1 1 A 89 89 MET CB C 89 32.481 32.616 -0.135 1
1 1035 . 4 1 1 A 89 89 MET N N 89 119.764 118.939 0.825 1
1 1036 . 4 1 1 A 90 90 GLY H H 90 8.452 8.221 0.231 1
1 1037 . 4 1 1 A 90 90 GLY HA2 H 90 4.008 3.685 0.323 1
1 1038 . 4 1 1 A 90 90 GLY HA3 H 90 3.723 3.703 0.020 1
1 1039 . 4 1 1 A 90 90 GLY C C 90 176.814 175.639 1.175 1
1 1040 . 4 1 1 A 90 90 GLY CA C 90 47.489 47.001 0.488 1
1 1041 . 4 1 1 A 90 90 GLY N N 90 105.180 108.606 -3.426 1
1 1042 . 4 1 1 A 91 91 HIS H H 91 7.919 8.040 -0.121 1
1 1043 . 4 1 1 A 91 91 HIS HA H 91 4.329 4.194 0.135 1
1 1048 . 4 1 1 A 91 91 HIS C C 91 178.208 177.045 1.163 1
1 1049 . 4 1 1 A 91 91 HIS CA C 91 59.367 58.611 0.756 1
1 1050 . 4 1 1 A 91 91 HIS CB C 91 30.612 29.979 0.633 1
1 1053 . 4 1 1 A 91 91 HIS N N 91 121.929 121.160 0.769 1
1 1054 . 4 1 1 A 92 92 TRP H H 92 8.199 7.466 0.733 1
1 1055 . 4 1 1 A 92 92 TRP HA H 92 3.829 4.235 -0.406 1
1 1064 . 4 1 1 A 92 92 TRP C C 92 178.257 178.516 -0.259 1
1 1065 . 4 1 1 A 92 92 TRP CA C 92 62.464 59.555 2.909 1
1 1066 . 4 1 1 A 92 92 TRP CB C 92 29.190 29.861 -0.671 1
1 1072 . 4 1 1 A 92 92 TRP N N 92 120.070 117.496 2.574 1
1 1074 . 4 1 1 A 93 93 LEU H H 93 8.740 8.445 0.295 1
1 1075 . 4 1 1 A 93 93 LEU HA H 93 3.695 3.664 0.031 1
1 1085 . 4 1 1 A 93 93 LEU C C 93 179.105 179.170 -0.065 1
1 1086 . 4 1 1 A 93 93 LEU CA C 93 59.076 58.182 0.894 1
1 1087 . 4 1 1 A 93 93 LEU CB C 93 40.993 41.893 -0.900 1
1 1091 . 4 1 1 A 93 93 LEU N N 93 119.445 120.168 -0.723 1
1 1092 . 4 1 1 A 94 94 GLY H H 94 7.616 8.098 -0.482 1
1 1093 . 4 1 1 A 94 94 GLY HA2 H 94 3.852 3.626 0.226 1
1 1094 . 4 1 1 A 94 94 GLY HA3 H 94 3.759 3.649 0.110 1
1 1095 . 4 1 1 A 94 94 GLY C C 94 176.693 175.456 1.237 1
1 1096 . 4 1 1 A 94 94 GLY CA C 94 47.120 47.021 0.099 1
1 1097 . 4 1 1 A 94 94 GLY N N 94 102.951 105.481 -2.530 1
1 1098 . 4 1 1 A 95 95 LEU H H 95 7.853 7.937 -0.084 1
1 1099 . 4 1 1 A 95 95 LEU HA H 95 4.024 3.884 0.140 1
1 1109 . 4 1 1 A 95 95 LEU C C 95 179.589 178.328 1.261 1
1 1110 . 4 1 1 A 95 95 LEU CA C 95 57.678 57.329 0.349 1
1 1111 . 4 1 1 A 95 95 LEU CB C 95 42.533 41.266 1.267 1
1 1115 . 4 1 1 A 95 95 LEU N N 95 123.479 122.877 0.602 1
1 1116 . 4 1 1 A 96 96 LEU H H 96 8.649 8.456 0.193 1
1 1117 . 4 1 1 A 96 96 LEU HA H 96 3.971 4.059 -0.088 1
1 1127 . 4 1 1 A 96 96 LEU C C 96 179.068 179.169 -0.101 1
1 1128 . 4 1 1 A 96 96 LEU CA C 96 57.906 57.912 -0.006 1
1 1129 . 4 1 1 A 96 96 LEU CB C 96 42.104 41.608 0.496 1
1 1133 . 4 1 1 A 96 96 LEU N N 96 118.046 118.288 -0.242 1
1 1134 . 4 1 1 A 97 97 LEU H H 97 8.198 8.263 -0.065 1
1 1135 . 4 1 1 A 97 97 LEU HA H 97 4.234 3.982 0.252 1
1 1145 . 4 1 1 A 97 97 LEU C C 97 180.177 178.779 1.398 1
1 1146 . 4 1 1 A 97 97 LEU CA C 97 57.361 58.062 -0.701 1
1 1147 . 4 1 1 A 97 97 LEU CB C 97 41.611 41.751 -0.140 1
1 1151 . 4 1 1 A 97 97 LEU N N 97 118.670 119.195 -0.525 1
1 1152 . 4 1 1 A 98 98 SER H H 98 7.818 8.167 -0.349 1
1 1153 . 4 1 1 A 98 98 SER HA H 98 4.328 4.004 0.324 1
1 1156 . 4 1 1 A 98 98 SER C C 98 176.863 177.039 -0.176 1
1 1157 . 4 1 1 A 98 98 SER CA C 98 61.004 61.572 -0.568 1
1 1158 . 4 1 1 A 98 98 SER CB C 98 63.322 62.945 0.377 1
1 1159 . 4 1 1 A 98 98 SER N N 98 115.679 113.214 2.465 1
1 1160 . 4 1 1 A 99 99 GLU H H 99 8.003 7.254 0.749 1
1 1161 . 4 1 1 A 99 99 GLU HA H 99 4.193 4.037 0.156 1
1 1166 . 4 1 1 A 99 99 GLU C C 99 177.226 178.859 -1.633 1
1 1167 . 4 1 1 A 99 99 GLU CA C 99 57.449 59.154 -1.705 1
1 1168 . 4 1 1 A 99 99 GLU CB C 99 30.260 29.757 0.503 1
1 1170 . 4 1 1 A 99 99 GLU N N 99 120.518 122.556 -2.038 1
1 1171 . 4 1 1 A 100 100 SER H H 100 7.892 8.444 -0.552 1
1 1172 . 4 1 1 A 100 100 SER HA H 100 4.582 4.200 0.382 1
1 1175 . 4 1 1 A 100 100 SER C C 100 175.881 175.314 0.567 1
1 1176 . 4 1 1 A 100 100 SER CA C 100 59.561 61.204 -1.643 1
1 1177 . 4 1 1 A 100 100 SER CB C 100 64.188 62.588 1.600 1
1 1178 . 4 1 1 A 100 100 SER N N 100 113.686 114.735 -1.049 1
1 1179 . 4 1 1 A 101 101 GLY H H 101 7.861 8.481 -0.620 1
1 1180 . 4 1 1 A 101 101 GLY HA2 H 101 4.114 3.910 0.204 1
1 1181 . 4 1 1 A 101 101 GLY HA3 H 101 4.063 3.912 0.151 1
1 1182 . 4 1 1 A 101 101 GLY C C 101 174.076 174.490 -0.414 1
1 1183 . 4 1 1 A 101 101 GLY CA C 101 45.501 46.592 -1.091 1
1 1184 . 4 1 1 A 101 101 GLY N N 101 109.148 109.204 -0.056 1
1 1185 . 4 1 1 A 102 102 SER H H 102 8.260 8.383 -0.123 1
1 1186 . 4 1 1 A 102 102 SER HA H 102 4.543 4.562 -0.019 1
1 1189 . 4 1 1 A 102 102 SER C C 102 174.851 176.550 -1.699 1
1 1190 . 4 1 1 A 102 102 SER CA C 102 58.646 60.269 -1.623 1
1 1191 . 4 1 1 A 102 102 SER CB C 102 64.211 64.137 0.074 1
1 1192 . 4 1 1 A 102 102 SER N N 102 116.298 120.875 -4.577 1
1 1193 . 4 1 1 A 103 103 GLY H H 103 8.252 8.491 -0.239 1
1 1194 . 4 1 1 A 103 103 GLY HA2 H 103 4.173 3.725 0.448 1
1 1195 . 4 1 1 A 103 103 GLY HA3 H 103 4.074 3.727 0.347 1
1 1196 . 4 1 1 A 103 103 GLY C C 103 171.773 174.876 -3.103 1
1 1197 . 4 1 1 A 103 103 GLY CA C 103 44.777 48.046 -3.269 1
1 1198 . 4 1 1 A 103 103 GLY N N 103 110.162 109.366 0.796 1
1 1199 . 4 1 1 A 104 104 PRO HA H 104 4.515 4.330 0.185 1
1 1206 . 4 1 1 A 104 104 PRO CA C 104 63.224 64.351 -1.127 1
1 1207 . 4 1 1 A 104 104 PRO CB C 104 32.174 31.793 0.381 1
1 1210 . 4 1 1 A 105 105 SER H H 105 8.559 8.135 0.424 1
1 1211 . 4 1 1 A 105 105 SER CA C 105 60.998 58.991 2.007 1
1 1212 . 4 1 1 A 105 105 SER CB C 105 63.768 60.945 2.823 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.952 3.919 0.033 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.952 3.979 -0.027 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.197 172.895 1.302 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.378 44.588 0.790 1
1 5 . 5 1 1 A 8 8 LEU H H 8 8.030 7.890 0.140 1
1 6 . 5 1 1 A 8 8 LEU HA H 8 4.321 5.054 -0.733 1
1 16 . 5 1 1 A 8 8 LEU C C 8 177.468 175.111 2.357 1
1 17 . 5 1 1 A 8 8 LEU CA C 8 55.320 52.984 2.336 1
1 18 . 5 1 1 A 8 8 LEU CB C 8 42.556 45.639 -3.083 1
1 22 . 5 1 1 A 8 8 LEU N N 8 121.494 123.211 -1.717 1
1 23 . 5 1 1 A 9 9 GLU H H 9 8.577 8.218 0.359 1
1 24 . 5 1 1 A 9 9 GLU HA H 9 4.454 4.499 -0.045 1
1 29 . 5 1 1 A 9 9 GLU C C 9 177.056 177.507 -0.451 1
1 30 . 5 1 1 A 9 9 GLU CA C 9 56.956 54.664 2.292 1
1 31 . 5 1 1 A 9 9 GLU CB C 9 30.237 31.803 -1.566 1
1 33 . 5 1 1 A 9 9 GLU N N 9 121.449 119.834 1.615 1
1 34 . 5 1 1 A 10 10 THR H H 10 8.189 8.787 -0.598 1
1 35 . 5 1 1 A 10 10 THR HA H 10 4.323 3.632 0.691 1
1 40 . 5 1 1 A 10 10 THR CA C 10 62.062 65.632 -3.570 1
1 41 . 5 1 1 A 10 10 THR CB C 10 69.441 68.445 0.996 1
1 43 . 5 1 1 A 10 10 THR N N 10 113.730 117.299 -3.569 1
1 44 . 5 1 1 A 11 11 SER H H 11 7.883 7.980 -0.097 1
1 45 . 5 1 1 A 11 11 SER HA H 11 5.249 4.844 0.405 1
1 48 . 5 1 1 A 11 11 SER CA C 11 57.852 58.102 -0.250 1
1 49 . 5 1 1 A 11 11 SER CB C 11 65.426 61.696 3.730 1
1 50 . 5 1 1 A 12 12 SER H H 12 8.413 8.665 -0.252 1
1 51 . 5 1 1 A 12 12 SER HA H 12 4.467 4.982 -0.515 1
1 54 . 5 1 1 A 12 12 SER CA C 12 58.741 57.602 1.139 1
1 55 . 5 1 1 A 12 12 SER CB C 12 65.239 65.906 -0.667 1
1 56 . 5 1 1 A 12 12 SER N N 12 116.995 122.038 -5.043 1
1 57 . 5 1 1 A 13 13 TYR H H 13 8.156 8.551 -0.395 1
1 58 . 5 1 1 A 13 13 TYR HA H 13 4.936 4.001 0.935 1
1 65 . 5 1 1 A 13 13 TYR CA C 13 58.533 57.682 0.851 1
1 68 . 5 1 1 A 13 13 TYR N N 13 121.972 125.386 -3.414 1
1 69 . 5 1 1 A 14 14 LEU H H 14 8.803 8.507 0.296 1
1 70 . 5 1 1 A 14 14 LEU HA H 14 4.573 4.679 -0.106 1
1 80 . 5 1 1 A 14 14 LEU C C 14 175.845 175.347 0.498 1
1 81 . 5 1 1 A 14 14 LEU CA C 14 54.141 53.297 0.844 1
1 82 . 5 1 1 A 14 14 LEU CB C 14 46.603 45.010 1.593 1
1 86 . 5 1 1 A 14 14 LEU N N 14 123.967 125.436 -1.469 1
1 87 . 5 1 1 A 15 15 ASN H H 15 8.090 8.326 -0.236 1
1 88 . 5 1 1 A 15 15 ASN HA H 15 5.669 5.152 0.517 1
1 93 . 5 1 1 A 15 15 ASN C C 15 174.972 174.177 0.795 1
1 94 . 5 1 1 A 15 15 ASN CA C 15 51.589 52.863 -1.274 1
1 95 . 5 1 1 A 15 15 ASN CB C 15 40.317 39.269 1.048 1
1 96 . 5 1 1 A 15 15 ASN N N 15 117.248 120.307 -3.059 1
1 98 . 5 1 1 A 16 16 VAL H H 16 9.452 8.389 1.063 1
1 99 . 5 1 1 A 16 16 VAL HA H 16 4.743 4.476 0.267 1
1 107 . 5 1 1 A 16 16 VAL C C 16 174.269 176.331 -2.062 1
1 108 . 5 1 1 A 16 16 VAL CA C 16 60.574 61.968 -1.394 1
1 109 . 5 1 1 A 16 16 VAL CB C 16 35.194 31.856 3.338 1
1 112 . 5 1 1 A 16 16 VAL N N 16 122.909 125.591 -2.682 1
1 113 . 5 1 1 A 17 17 LEU H H 17 7.892 8.701 -0.809 1
1 114 . 5 1 1 A 17 17 LEU HA H 17 3.679 3.867 -0.188 1
1 124 . 5 1 1 A 17 17 LEU C C 17 175.747 175.074 0.673 1
1 125 . 5 1 1 A 17 17 LEU CA C 17 54.493 56.218 -1.725 1
1 126 . 5 1 1 A 17 17 LEU CB C 17 40.541 41.633 -1.092 1
1 130 . 5 1 1 A 17 17 LEU N N 17 130.093 131.203 -1.110 1
1 131 . 5 1 1 A 18 18 VAL H H 18 8.923 8.707 0.216 1
1 132 . 5 1 1 A 18 18 VAL HA H 18 4.053 4.317 -0.264 1
1 140 . 5 1 1 A 18 18 VAL C C 18 175.869 175.741 0.128 1
1 141 . 5 1 1 A 18 18 VAL CA C 18 61.285 61.151 0.134 1
1 142 . 5 1 1 A 18 18 VAL CB C 18 33.609 34.340 -0.731 1
1 145 . 5 1 1 A 18 18 VAL N N 18 130.417 128.158 2.259 1
1 146 . 5 1 1 A 19 19 ASN H H 19 9.323 9.345 -0.022 1
1 147 . 5 1 1 A 19 19 ASN HA H 19 4.232 4.312 -0.080 1
1 152 . 5 1 1 A 19 19 ASN C C 19 174.948 175.055 -0.107 1
1 153 . 5 1 1 A 19 19 ASN CA C 19 54.809 54.533 0.276 1
1 154 . 5 1 1 A 19 19 ASN CB C 19 37.192 36.716 0.476 1
1 155 . 5 1 1 A 19 19 ASN N N 19 127.579 127.646 -0.067 1
1 157 . 5 1 1 A 20 20 SER H H 20 8.464 8.384 0.080 1
1 158 . 5 1 1 A 20 20 SER HA H 20 3.653 3.905 -0.252 1
1 161 . 5 1 1 A 20 20 SER C C 20 172.645 172.864 -0.219 1
1 162 . 5 1 1 A 20 20 SER CA C 20 60.458 59.156 1.302 1
1 163 . 5 1 1 A 20 20 SER CB C 20 62.584 61.889 0.695 1
1 164 . 5 1 1 A 20 20 SER N N 20 106.869 111.311 -4.442 1
1 165 . 5 1 1 A 21 21 GLN H H 21 7.695 7.490 0.205 1
1 166 . 5 1 1 A 21 21 GLN HA H 21 4.591 4.649 -0.058 1
1 173 . 5 1 1 A 21 21 GLN C C 21 174.003 174.741 -0.738 1
1 174 . 5 1 1 A 21 21 GLN CA C 21 53.772 54.350 -0.578 1
1 175 . 5 1 1 A 21 21 GLN CB C 21 32.069 31.945 0.124 1
1 177 . 5 1 1 A 21 21 GLN N N 21 120.372 117.903 2.469 1
1 179 . 5 1 1 A 22 22 TRP H H 22 8.743 8.643 0.100 1
1 180 . 5 1 1 A 22 22 TRP HA H 22 4.690 4.781 -0.091 1
1 189 . 5 1 1 A 22 22 TRP C C 22 176.863 176.144 0.719 1
1 190 . 5 1 1 A 22 22 TRP CA C 22 57.062 57.531 -0.469 1
1 191 . 5 1 1 A 22 22 TRP CB C 22 29.323 28.993 0.330 1
1 197 . 5 1 1 A 22 22 TRP N N 22 124.919 124.168 0.751 1
1 199 . 5 1 1 A 23 23 LYS H H 23 9.302 9.051 0.251 1
1 200 . 5 1 1 A 23 23 LYS HA H 23 4.798 4.853 -0.055 1
1 208 . 5 1 1 A 23 23 LYS C C 23 176.050 175.770 0.280 1
1 209 . 5 1 1 A 23 23 LYS CA C 23 54.106 54.489 -0.383 1
1 210 . 5 1 1 A 23 23 LYS CB C 23 35.583 34.563 1.020 1
1 214 . 5 1 1 A 23 23 LYS N N 23 124.474 125.416 -0.942 1
1 215 . 5 1 1 A 24 24 SER H H 24 8.740 8.795 -0.055 1
1 216 . 5 1 1 A 24 24 SER HA H 24 5.035 4.882 0.153 1
1 219 . 5 1 1 A 24 24 SER C C 24 175.905 173.553 2.352 1
1 220 . 5 1 1 A 24 24 SER CA C 24 58.857 57.664 1.193 1
1 221 . 5 1 1 A 24 24 SER CB C 24 63.489 63.469 0.020 1
1 222 . 5 1 1 A 24 24 SER N N 24 118.568 118.308 0.260 1
1 223 . 5 1 1 A 25 25 ARG H H 25 9.302 8.573 0.729 1
1 224 . 5 1 1 A 25 25 ARG HA H 25 4.946 5.155 -0.209 1
1 231 . 5 1 1 A 25 25 ARG C C 25 173.724 174.113 -0.389 1
1 232 . 5 1 1 A 25 25 ARG CA C 25 54.440 54.719 -0.279 1
1 233 . 5 1 1 A 25 25 ARG CB C 25 34.825 34.358 0.467 1
1 236 . 5 1 1 A 25 25 ARG N N 25 126.895 128.311 -1.416 1
1 237 . 5 1 1 A 26 26 TRP H H 26 8.668 8.955 -0.287 1
1 238 . 5 1 1 A 26 26 TRP HA H 26 4.780 5.294 -0.514 1
1 247 . 5 1 1 A 26 26 TRP C C 26 175.796 174.956 0.840 1
1 248 . 5 1 1 A 26 26 TRP CA C 26 57.555 56.076 1.479 1
1 249 . 5 1 1 A 26 26 TRP CB C 26 29.833 31.612 -1.779 1
1 255 . 5 1 1 A 26 26 TRP N N 26 123.493 127.716 -4.223 1
1 257 . 5 1 1 A 27 27 CYS H H 27 8.884 9.168 -0.284 1
1 258 . 5 1 1 A 27 27 CYS HA H 27 5.668 5.466 0.202 1
1 261 . 5 1 1 A 27 27 CYS C C 27 174.560 174.182 0.378 1
1 262 . 5 1 1 A 27 27 CYS CA C 27 58.184 57.520 0.664 1
1 263 . 5 1 1 A 27 27 CYS CB C 27 31.516 29.704 1.812 1
1 264 . 5 1 1 A 27 27 CYS N N 27 124.947 127.187 -2.240 1
1 265 . 5 1 1 A 28 28 SER H H 28 8.566 8.884 -0.318 1
1 266 . 5 1 1 A 28 28 SER HA H 28 5.240 5.410 -0.170 1
1 269 . 5 1 1 A 28 28 SER C C 28 173.106 173.181 -0.075 1
1 270 . 5 1 1 A 28 28 SER CA C 28 57.027 57.012 0.015 1
1 271 . 5 1 1 A 28 28 SER CB C 28 66.738 65.339 1.399 1
1 272 . 5 1 1 A 28 28 SER N N 28 114.751 119.197 -4.446 1
1 273 . 5 1 1 A 29 29 VAL H H 29 8.843 8.982 -0.139 1
1 274 . 5 1 1 A 29 29 VAL HA H 29 5.302 5.373 -0.071 1
1 282 . 5 1 1 A 29 29 VAL C C 29 175.905 175.435 0.470 1
1 283 . 5 1 1 A 29 29 VAL CA C 29 61.233 61.334 -0.101 1
1 284 . 5 1 1 A 29 29 VAL CB C 29 32.832 33.625 -0.793 1
1 287 . 5 1 1 A 29 29 VAL N N 29 125.688 127.749 -2.061 1
1 288 . 5 1 1 A 30 30 ARG H H 30 8.964 8.675 0.289 1
1 289 . 5 1 1 A 30 30 ARG HA H 30 4.620 4.520 0.100 1
1 295 . 5 1 1 A 30 30 ARG C C 30 176.160 174.939 1.221 1
1 296 . 5 1 1 A 30 30 ARG CA C 30 55.901 57.478 -1.577 1
1 297 . 5 1 1 A 30 30 ARG CB C 30 33.198 32.571 0.627 1
1 300 . 5 1 1 A 30 30 ARG N N 30 125.513 128.497 -2.984 1
1 301 . 5 1 1 A 31 31 ASP H H 31 9.773 8.253 1.520 1
1 302 . 5 1 1 A 31 31 ASP HA H 31 4.451 4.722 -0.271 1
1 305 . 5 1 1 A 31 31 ASP C C 31 177.008 175.815 1.193 1
1 306 . 5 1 1 A 31 31 ASP CA C 31 55.936 52.928 3.008 1
1 307 . 5 1 1 A 31 31 ASP CB C 31 39.659 40.202 -0.543 1
1 308 . 5 1 1 A 31 31 ASP N N 31 127.085 119.664 7.421 1
1 309 . 5 1 1 A 32 32 ASN H H 32 9.639 8.289 1.350 1
1 310 . 5 1 1 A 32 32 ASN HA H 32 4.535 4.323 0.212 1
1 315 . 5 1 1 A 32 32 ASN C C 32 172.766 173.855 -1.089 1
1 316 . 5 1 1 A 32 32 ASN CA C 32 55.549 54.188 1.361 1
1 317 . 5 1 1 A 32 32 ASN CB C 32 38.238 37.130 1.108 1
1 318 . 5 1 1 A 32 32 ASN N N 32 112.101 121.663 -9.562 1
1 320 . 5 1 1 A 33 33 HIS H H 33 8.292 7.753 0.539 1
1 321 . 5 1 1 A 33 33 HIS HA H 33 5.368 5.582 -0.214 1
1 326 . 5 1 1 A 33 33 HIS C C 33 172.718 173.354 -0.636 1
1 327 . 5 1 1 A 33 33 HIS CA C 33 55.303 54.629 0.674 1
1 328 . 5 1 1 A 33 33 HIS CB C 33 32.851 34.156 -1.305 1
1 331 . 5 1 1 A 33 33 HIS N N 33 116.294 116.188 0.106 1
1 332 . 5 1 1 A 34 34 LEU H H 34 8.987 9.238 -0.251 1
1 333 . 5 1 1 A 34 34 LEU HA H 34 4.784 5.023 -0.239 1
1 342 . 5 1 1 A 34 34 LEU C C 34 173.240 175.038 -1.798 1
1 343 . 5 1 1 A 34 34 LEU CA C 34 53.719 53.234 0.485 1
1 344 . 5 1 1 A 34 34 LEU CB C 34 45.147 44.046 1.101 1
1 348 . 5 1 1 A 34 34 LEU N N 34 122.961 124.208 -1.247 1
1 349 . 5 1 1 A 35 35 HIS H H 35 9.169 9.504 -0.335 1
1 350 . 5 1 1 A 35 35 HIS HA H 35 4.713 4.783 -0.070 1
1 355 . 5 1 1 A 35 35 HIS C C 35 174.778 174.782 -0.004 1
1 356 . 5 1 1 A 35 35 HIS CA C 35 55.284 56.137 -0.853 1
1 357 . 5 1 1 A 35 35 HIS CB C 35 34.455 31.728 2.727 1
1 360 . 5 1 1 A 35 35 HIS N N 35 125.201 125.857 -0.656 1
1 361 . 5 1 1 A 36 36 PHE H H 36 9.522 8.849 0.673 1
1 362 . 5 1 1 A 36 36 PHE HA H 36 5.014 5.416 -0.402 1
1 370 . 5 1 1 A 36 36 PHE C C 36 174.911 174.282 0.629 1
1 371 . 5 1 1 A 36 36 PHE CA C 36 56.217 56.598 -0.381 1
1 372 . 5 1 1 A 36 36 PHE CB C 36 43.666 41.492 2.174 1
1 378 . 5 1 1 A 36 36 PHE N N 36 118.294 118.829 -0.535 1
1 379 . 5 1 1 A 37 37 TYR H H 37 9.783 9.867 -0.084 1
1 380 . 5 1 1 A 37 37 TYR HA H 37 5.453 5.097 0.356 1
1 387 . 5 1 1 A 37 37 TYR C C 37 176.475 175.976 0.499 1
1 388 . 5 1 1 A 37 37 TYR CA C 37 57.185 57.031 0.154 1
1 389 . 5 1 1 A 37 37 TYR CB C 37 41.569 42.752 -1.183 1
1 394 . 5 1 1 A 37 37 TYR N N 37 121.241 122.156 -0.915 1
1 395 . 5 1 1 A 38 38 GLN H H 38 9.233 8.502 0.731 1
1 396 . 5 1 1 A 38 38 GLN HA H 38 4.480 4.762 -0.282 1
1 403 . 5 1 1 A 38 38 GLN C C 38 175.408 175.638 -0.230 1
1 404 . 5 1 1 A 38 38 GLN CA C 38 57.977 56.873 1.104 1
1 405 . 5 1 1 A 38 38 GLN CB C 38 29.825 31.033 -1.208 1
1 407 . 5 1 1 A 38 38 GLN N N 38 119.348 120.040 -0.692 1
1 409 . 5 1 1 A 39 39 ASP H H 39 8.674 7.940 0.734 1
1 410 . 5 1 1 A 39 39 ASP HA H 39 4.849 4.990 -0.141 1
1 413 . 5 1 1 A 39 39 ASP CA C 39 52.402 52.796 -0.394 1
1 414 . 5 1 1 A 39 39 ASP CB C 39 43.525 42.141 1.384 1
1 415 . 5 1 1 A 40 40 ARG H H 40 7.823 8.836 -1.013 1
1 416 . 5 1 1 A 40 40 ARG HA H 40 2.342 2.799 -0.457 1
1 423 . 5 1 1 A 40 40 ARG CA C 40 57.183 57.773 -0.590 1
1 424 . 5 1 1 A 40 40 ARG CB C 40 29.300 29.598 -0.298 1
1 427 . 5 1 1 A 40 40 ARG N N 40 119.412 121.081 -1.669 1
1 428 . 5 1 1 A 41 41 ASN H H 41 7.601 7.773 -0.172 1
1 429 . 5 1 1 A 41 41 ASN HA H 41 4.408 4.623 -0.215 1
1 434 . 5 1 1 A 41 41 ASN C C 41 174.584 174.470 0.114 1
1 435 . 5 1 1 A 41 41 ASN CA C 41 53.396 51.572 1.824 1
1 436 . 5 1 1 A 41 41 ASN CB C 41 37.847 37.287 0.560 1
1 437 . 5 1 1 A 41 41 ASN N N 41 114.895 115.415 -0.520 1
1 439 . 5 1 1 A 42 42 ARG H H 42 7.927 7.578 0.349 1
1 440 . 5 1 1 A 42 42 ARG HA H 42 3.271 3.762 -0.491 1
1 446 . 5 1 1 A 42 42 ARG CA C 42 57.164 56.795 0.369 1
1 449 . 5 1 1 A 42 42 ARG N N 42 115.263 113.832 1.431 1
1 450 . 5 1 1 A 43 43 SER H H 43 9.112 7.834 1.278 1
1 451 . 5 1 1 A 43 43 SER HA H 43 4.444 4.160 0.284 1
1 454 . 5 1 1 A 43 43 SER CA C 43 59.742 61.718 -1.976 1
1 455 . 5 1 1 A 43 43 SER CB C 43 64.693 63.509 1.184 1
1 456 . 5 1 1 A 43 43 SER N N 43 115.094 113.013 2.081 1
1 457 . 5 1 1 A 44 44 LYS H H 44 8.543 7.776 0.767 1
1 458 . 5 1 1 A 44 44 LYS HA H 44 4.784 4.755 0.029 1
1 464 . 5 1 1 A 44 44 LYS C C 44 175.723 174.300 1.423 1
1 465 . 5 1 1 A 44 44 LYS CA C 44 55.091 55.791 -0.700 1
1 466 . 5 1 1 A 44 44 LYS CB C 44 34.642 35.892 -1.250 1
1 470 . 5 1 1 A 45 45 VAL H H 45 8.965 8.945 0.020 1
1 471 . 5 1 1 A 45 45 VAL HA H 45 4.043 3.911 0.132 1
1 479 . 5 1 1 A 45 45 VAL C C 45 176.656 176.072 0.584 1
1 480 . 5 1 1 A 45 45 VAL CA C 45 63.883 62.983 0.900 1
1 481 . 5 1 1 A 45 45 VAL CB C 45 32.621 30.716 1.905 1
1 484 . 5 1 1 A 45 45 VAL N N 45 127.663 126.756 0.907 1
1 485 . 5 1 1 A 46 46 ALA H H 46 9.214 8.700 0.514 1
1 486 . 5 1 1 A 46 46 ALA HA H 46 4.523 4.062 0.461 1
1 490 . 5 1 1 A 46 46 ALA C C 46 176.560 177.204 -0.644 1
1 491 . 5 1 1 A 46 46 ALA CA C 46 52.610 55.492 -2.882 1
1 492 . 5 1 1 A 46 46 ALA CB C 46 20.929 19.127 1.802 1
1 493 . 5 1 1 A 46 46 ALA N N 46 129.165 131.070 -1.905 1
1 494 . 5 1 1 A 47 47 GLN H H 47 7.504 7.663 -0.159 1
1 495 . 5 1 1 A 47 47 GLN HA H 47 4.494 4.585 -0.091 1
1 502 . 5 1 1 A 47 47 GLN C C 47 173.057 173.975 -0.918 1
1 503 . 5 1 1 A 47 47 GLN CA C 47 54.458 54.552 -0.094 1
1 504 . 5 1 1 A 47 47 GLN CB C 47 30.918 30.880 0.038 1
1 506 . 5 1 1 A 47 47 GLN N N 47 112.591 111.059 1.532 1
1 508 . 5 1 1 A 48 48 GLN H H 48 8.541 8.484 0.057 1
1 509 . 5 1 1 A 48 48 GLN HA H 48 4.420 4.206 0.214 1
1 516 . 5 1 1 A 48 48 GLN C C 48 172.864 174.875 -2.011 1
1 517 . 5 1 1 A 48 48 GLN CA C 48 54.774 54.295 0.479 1
1 518 . 5 1 1 A 48 48 GLN CB C 48 28.017 29.334 -1.317 1
1 520 . 5 1 1 A 48 48 GLN N N 48 120.933 122.863 -1.930 1
1 522 . 5 1 1 A 49 49 PRO HA H 49 4.963 4.744 0.219 1
1 529 . 5 1 1 A 49 49 PRO C C 49 177.105 175.394 1.711 1
1 530 . 5 1 1 A 49 49 PRO CA C 49 63.010 62.285 0.725 1
1 531 . 5 1 1 A 49 49 PRO CB C 49 32.625 32.416 0.209 1
1 534 . 5 1 1 A 50 50 LEU H H 50 8.937 8.750 0.187 1
1 535 . 5 1 1 A 50 50 LEU HA H 50 4.742 5.127 -0.385 1
1 545 . 5 1 1 A 50 50 LEU C C 50 176.147 175.485 0.662 1
1 546 . 5 1 1 A 50 50 LEU CA C 50 53.120 53.054 0.066 1
1 547 . 5 1 1 A 50 50 LEU CB C 50 45.352 45.665 -0.313 1
1 551 . 5 1 1 A 50 50 LEU N N 50 121.454 122.060 -0.606 1
1 552 . 5 1 1 A 51 51 SER H H 51 8.771 8.606 0.165 1
1 553 . 5 1 1 A 51 51 SER HA H 51 3.434 3.863 -0.429 1
1 556 . 5 1 1 A 51 51 SER C C 51 175.081 174.429 0.652 1
1 557 . 5 1 1 A 51 51 SER CA C 51 57.936 56.217 1.719 1
1 558 . 5 1 1 A 51 51 SER CB C 51 62.378 63.172 -0.794 1
1 559 . 5 1 1 A 51 51 SER N N 51 120.178 116.735 3.443 1
1 560 . 5 1 1 A 52 52 LEU H H 52 8.045 8.073 -0.028 1
1 561 . 5 1 1 A 52 52 LEU HA H 52 4.443 3.978 0.465 1
1 571 . 5 1 1 A 52 52 LEU C C 52 177.916 177.617 0.299 1
1 572 . 5 1 1 A 52 52 LEU CA C 52 55.105 57.578 -2.473 1
1 573 . 5 1 1 A 52 52 LEU CB C 52 42.762 41.526 1.236 1
1 577 . 5 1 1 A 52 52 LEU N N 52 125.348 127.212 -1.864 1
1 578 . 5 1 1 A 53 53 VAL H H 53 7.418 7.374 0.044 1
1 579 . 5 1 1 A 53 53 VAL HA H 53 3.841 3.816 0.025 1
1 587 . 5 1 1 A 53 53 VAL C C 53 178.123 177.185 0.938 1
1 588 . 5 1 1 A 53 53 VAL CA C 53 64.893 64.842 0.051 1
1 589 . 5 1 1 A 53 53 VAL CB C 53 30.973 31.123 -0.150 1
1 592 . 5 1 1 A 53 53 VAL N N 53 119.590 119.121 0.469 1
1 593 . 5 1 1 A 54 54 GLY H H 54 9.187 8.871 0.316 1
1 594 . 5 1 1 A 54 54 GLY HA2 H 54 4.292 3.904 0.388 1
1 595 . 5 1 1 A 54 54 GLY HA3 H 54 3.934 4.037 -0.103 1
1 596 . 5 1 1 A 54 54 GLY C C 54 175.275 174.616 0.659 1
1 597 . 5 1 1 A 54 54 GLY CA C 54 45.906 44.880 1.026 1
1 598 . 5 1 1 A 54 54 GLY N N 54 115.764 114.879 0.885 1
1 599 . 5 1 1 A 55 55 CYS H H 55 7.871 8.001 -0.130 1
1 600 . 5 1 1 A 55 55 CYS HA H 55 5.052 4.451 0.601 1
1 603 . 5 1 1 A 55 55 CYS C C 55 174.112 173.493 0.619 1
1 604 . 5 1 1 A 55 55 CYS CA C 55 60.352 59.526 0.826 1
1 605 . 5 1 1 A 55 55 CYS CB C 55 28.779 29.217 -0.438 1
1 606 . 5 1 1 A 55 55 CYS N N 55 117.748 120.195 -2.447 1
1 607 . 5 1 1 A 56 56 GLU H H 56 9.140 8.701 0.439 1
1 608 . 5 1 1 A 56 56 GLU HA H 56 4.672 4.772 -0.100 1
1 612 . 5 1 1 A 56 56 GLU C C 56 175.105 174.401 0.704 1
1 613 . 5 1 1 A 56 56 GLU CA C 56 55.179 55.378 -0.199 1
1 614 . 5 1 1 A 56 56 GLU CB C 56 33.097 33.472 -0.375 1
1 616 . 5 1 1 A 56 56 GLU N N 56 120.179 122.126 -1.947 1
1 617 . 5 1 1 A 57 57 VAL H H 57 8.385 8.901 -0.516 1
1 618 . 5 1 1 A 57 57 VAL HA H 57 5.238 4.772 0.466 1
1 626 . 5 1 1 A 57 57 VAL C C 57 175.238 175.880 -0.642 1
1 627 . 5 1 1 A 57 57 VAL CA C 57 61.064 62.142 -1.078 1
1 628 . 5 1 1 A 57 57 VAL CB C 57 33.429 31.790 1.639 1
1 631 . 5 1 1 A 57 57 VAL N N 57 122.535 127.602 -5.067 1
1 632 . 5 1 1 A 58 58 VAL H H 58 8.884 9.140 -0.256 1
1 633 . 5 1 1 A 58 58 VAL HA H 58 5.053 4.910 0.143 1
1 641 . 5 1 1 A 58 58 VAL C C 58 174.027 173.605 0.422 1
1 642 . 5 1 1 A 58 58 VAL CA C 58 57.977 57.935 0.042 1
1 643 . 5 1 1 A 58 58 VAL CB C 58 35.583 34.377 1.206 1
1 646 . 5 1 1 A 58 58 VAL N N 58 122.081 121.954 0.127 1
1 647 . 5 1 1 A 59 59 PRO HA H 59 4.573 4.903 -0.330 1
1 654 . 5 1 1 A 59 59 PRO C C 59 175.457 175.182 0.275 1
1 655 . 5 1 1 A 59 59 PRO CA C 59 63.643 62.378 1.265 1
1 656 . 5 1 1 A 59 59 PRO CB C 59 32.915 29.995 2.920 1
1 659 . 5 1 1 A 60 60 ASP H H 60 8.989 8.385 0.604 1
1 660 . 5 1 1 A 60 60 ASP HA H 60 5.179 5.307 -0.128 1
1 663 . 5 1 1 A 60 60 ASP C C 60 172.742 174.178 -1.436 1
1 664 . 5 1 1 A 60 60 ASP CA C 60 52.698 50.911 1.787 1
1 665 . 5 1 1 A 60 60 ASP CB C 60 43.314 41.340 1.974 1
1 666 . 5 1 1 A 60 60 ASP N N 60 122.718 123.839 -1.121 1
1 667 . 5 1 1 A 61 61 PRO HA H 61 4.681 4.947 -0.266 1
1 674 . 5 1 1 A 61 61 PRO C C 61 177.420 175.377 2.043 1
1 675 . 5 1 1 A 61 61 PRO CA C 61 63.594 62.480 1.114 1
1 676 . 5 1 1 A 61 61 PRO CB C 61 32.950 32.833 0.117 1
1 679 . 5 1 1 A 62 62 SER H H 62 7.803 8.329 -0.526 1
1 680 . 5 1 1 A 62 62 SER HA H 62 4.797 4.982 -0.185 1
1 683 . 5 1 1 A 62 62 SER C C 62 174.851 174.726 0.125 1
1 684 . 5 1 1 A 62 62 SER CA C 62 56.896 56.054 0.842 1
1 685 . 5 1 1 A 62 62 SER CB C 62 63.959 65.417 -1.458 1
1 686 . 5 1 1 A 62 62 SER N N 62 115.582 115.479 0.103 1
1 687 . 5 1 1 A 63 63 PRO HA H 63 4.089 4.490 -0.401 1
1 694 . 5 1 1 A 63 63 PRO C C 63 177.105 175.921 1.184 1
1 695 . 5 1 1 A 63 63 PRO CA C 63 66.024 64.070 1.954 1
1 696 . 5 1 1 A 63 63 PRO CB C 63 31.763 31.479 0.284 1
1 699 . 5 1 1 A 64 64 ASP H H 64 8.361 8.218 0.143 1
1 700 . 5 1 1 A 64 64 ASP HA H 64 4.290 4.747 -0.457 1
1 703 . 5 1 1 A 64 64 ASP C C 64 174.802 175.202 -0.400 1
1 704 . 5 1 1 A 64 64 ASP CA C 64 54.458 54.158 0.300 1
1 705 . 5 1 1 A 64 64 ASP CB C 64 40.481 43.068 -2.587 1
1 706 . 5 1 1 A 64 64 ASP N N 64 111.867 117.308 -5.441 1
1 707 . 5 1 1 A 65 65 HIS H H 65 7.781 7.323 0.458 1
1 708 . 5 1 1 A 65 65 HIS HA H 65 4.558 4.620 -0.062 1
1 713 . 5 1 1 A 65 65 HIS C C 65 174.972 174.525 0.447 1
1 714 . 5 1 1 A 65 65 HIS CA C 65 54.370 54.428 -0.058 1
1 715 . 5 1 1 A 65 65 HIS CB C 65 28.450 31.899 -3.449 1
1 718 . 5 1 1 A 65 65 HIS N N 65 120.793 116.629 4.164 1
1 719 . 5 1 1 A 66 66 LEU H H 66 8.206 8.115 0.091 1
1 720 . 5 1 1 A 66 66 LEU HA H 66 3.893 4.272 -0.379 1
1 730 . 5 1 1 A 66 66 LEU C C 66 178.826 176.322 2.504 1
1 731 . 5 1 1 A 66 66 LEU CA C 66 57.857 54.371 3.486 1
1 732 . 5 1 1 A 66 66 LEU CB C 66 42.245 41.457 0.788 1
1 736 . 5 1 1 A 66 66 LEU N N 66 124.390 124.720 -0.330 1
1 737 . 5 1 1 A 67 67 TYR H H 67 8.612 7.601 1.011 1
1 738 . 5 1 1 A 67 67 TYR HA H 67 5.417 4.864 0.553 1
1 745 . 5 1 1 A 67 67 TYR C C 67 176.403 174.792 1.611 1
1 746 . 5 1 1 A 67 67 TYR CA C 67 55.320 57.052 -1.732 1
1 747 . 5 1 1 A 67 67 TYR CB C 67 35.524 37.680 -2.156 1
1 752 . 5 1 1 A 67 67 TYR N N 67 118.042 119.350 -1.308 1
1 753 . 5 1 1 A 68 68 SER H H 68 6.652 7.820 -1.168 1
1 754 . 5 1 1 A 68 68 SER HA H 68 5.742 5.302 0.440 1
1 757 . 5 1 1 A 68 68 SER C C 68 174.827 173.722 1.105 1
1 758 . 5 1 1 A 68 68 SER CA C 68 56.147 56.497 -0.350 1
1 759 . 5 1 1 A 68 68 SER CB C 68 65.504 65.654 -0.150 1
1 760 . 5 1 1 A 68 68 SER N N 68 111.076 112.919 -1.843 1
1 761 . 5 1 1 A 69 69 PHE H H 69 9.089 8.173 0.916 1
1 762 . 5 1 1 A 69 69 PHE HA H 69 5.212 5.750 -0.538 1
1 770 . 5 1 1 A 69 69 PHE C C 69 171.676 172.789 -1.113 1
1 771 . 5 1 1 A 69 69 PHE CA C 69 55.918 55.339 0.579 1
1 772 . 5 1 1 A 69 69 PHE CB C 69 41.034 42.225 -1.191 1
1 778 . 5 1 1 A 69 69 PHE N N 69 121.539 118.458 3.081 1
1 779 . 5 1 1 A 70 70 ARG H H 70 9.299 9.005 0.294 1
1 780 . 5 1 1 A 70 70 ARG HA H 70 5.333 5.131 0.202 1
1 787 . 5 1 1 A 70 70 ARG C C 70 174.197 174.320 -0.123 1
1 788 . 5 1 1 A 70 70 ARG CA C 70 54.198 54.434 -0.236 1
1 789 . 5 1 1 A 70 70 ARG CB C 70 35.236 34.095 1.141 1
1 792 . 5 1 1 A 70 70 ARG N N 70 117.458 118.285 -0.827 1
1 794 . 5 1 1 A 71 71 ILE H H 71 8.505 8.938 -0.433 1
1 795 . 5 1 1 A 71 71 ILE HA H 71 4.974 5.227 -0.253 1
1 805 . 5 1 1 A 71 71 ILE C C 71 174.996 175.369 -0.373 1
1 806 . 5 1 1 A 71 71 ILE CA C 71 60.622 59.664 0.958 1
1 807 . 5 1 1 A 71 71 ILE CB C 71 39.636 40.514 -0.878 1
1 811 . 5 1 1 A 71 71 ILE N N 71 119.757 123.187 -3.430 1
1 812 . 5 1 1 A 72 72 LEU H H 72 9.488 9.261 0.227 1
1 813 . 5 1 1 A 72 72 LEU HA H 72 5.473 5.490 -0.017 1
1 823 . 5 1 1 A 72 72 LEU C C 72 176.172 174.867 1.305 1
1 824 . 5 1 1 A 72 72 LEU CA C 72 53.507 53.931 -0.424 1
1 825 . 5 1 1 A 72 72 LEU CB C 72 46.393 45.930 0.463 1
1 829 . 5 1 1 A 72 72 LEU N N 72 128.277 125.669 2.608 1
1 830 . 5 1 1 A 73 73 HIS H H 73 9.087 9.092 -0.005 1
1 831 . 5 1 1 A 73 73 HIS HA H 73 4.888 4.918 -0.030 1
1 836 . 5 1 1 A 73 73 HIS C C 73 175.118 174.387 0.731 1
1 837 . 5 1 1 A 73 73 HIS CA C 73 56.675 55.356 1.319 1
1 838 . 5 1 1 A 73 73 HIS CB C 73 32.933 31.659 1.274 1
1 841 . 5 1 1 A 73 73 HIS N N 73 119.084 123.853 -4.769 1
1 842 . 5 1 1 A 74 74 LYS H H 74 9.551 9.583 -0.032 1
1 843 . 5 1 1 A 74 74 LYS HA H 74 3.763 3.830 -0.067 1
1 852 . 5 1 1 A 74 74 LYS C C 74 176.851 176.727 0.124 1
1 853 . 5 1 1 A 74 74 LYS CA C 74 56.969 57.513 -0.544 1
1 854 . 5 1 1 A 74 74 LYS CB C 74 29.766 30.015 -0.249 1
1 858 . 5 1 1 A 74 74 LYS N N 74 128.764 128.257 0.507 1
1 859 . 5 1 1 A 75 75 GLY H H 75 8.877 8.427 0.450 1
1 860 . 5 1 1 A 75 75 GLY HA2 H 75 3.523 3.880 -0.357 1
1 861 . 5 1 1 A 75 75 GLY HA3 H 75 4.213 3.881 0.332 1
1 862 . 5 1 1 A 75 75 GLY C C 75 173.566 173.850 -0.284 1
1 863 . 5 1 1 A 75 75 GLY CA C 75 45.346 45.053 0.293 1
1 864 . 5 1 1 A 75 75 GLY N N 75 104.552 105.344 -0.792 1
1 865 . 5 1 1 A 76 76 GLU H H 76 7.922 8.031 -0.109 1
1 866 . 5 1 1 A 76 76 GLU HA H 76 4.491 4.505 -0.014 1
1 871 . 5 1 1 A 76 76 GLU C C 76 175.651 175.344 0.307 1
1 872 . 5 1 1 A 76 76 GLU CA C 76 54.721 55.676 -0.955 1
1 873 . 5 1 1 A 76 76 GLU CB C 76 31.187 31.463 -0.276 1
1 875 . 5 1 1 A 76 76 GLU N N 76 121.492 121.363 0.129 1
1 876 . 5 1 1 A 77 77 GLU H H 77 8.925 8.477 0.448 1
1 877 . 5 1 1 A 77 77 GLU HA H 77 4.309 4.836 -0.527 1
1 881 . 5 1 1 A 77 77 GLU C C 77 175.857 175.328 0.529 1
1 882 . 5 1 1 A 77 77 GLU CA C 77 57.412 55.098 2.314 1
1 883 . 5 1 1 A 77 77 GLU CB C 77 31.146 31.573 -0.427 1
1 885 . 5 1 1 A 77 77 GLU N N 77 125.541 123.980 1.561 1
1 886 . 5 1 1 A 78 78 LEU H H 78 9.475 9.004 0.471 1
1 887 . 5 1 1 A 78 78 LEU HA H 78 4.513 4.428 0.085 1
1 897 . 5 1 1 A 78 78 LEU C C 78 177.541 176.634 0.907 1
1 898 . 5 1 1 A 78 78 LEU CA C 78 55.443 56.079 -0.636 1
1 899 . 5 1 1 A 78 78 LEU CB C 78 43.776 42.685 1.091 1
1 903 . 5 1 1 A 78 78 LEU N N 78 128.715 128.627 0.088 1
1 904 . 5 1 1 A 79 79 ALA H H 79 7.550 7.451 0.099 1
1 905 . 5 1 1 A 79 79 ALA HA H 79 4.503 4.550 -0.047 1
1 909 . 5 1 1 A 79 79 ALA C C 79 174.342 175.127 -0.785 1
1 910 . 5 1 1 A 79 79 ALA CA C 79 51.906 51.629 0.277 1
1 911 . 5 1 1 A 79 79 ALA CB C 79 22.017 22.319 -0.302 1
1 912 . 5 1 1 A 79 79 ALA N N 79 116.317 116.357 -0.040 1
1 913 . 5 1 1 A 80 80 LYS H H 80 8.743 8.636 0.107 1
1 914 . 5 1 1 A 80 80 LYS HA H 80 4.725 4.863 -0.138 1
1 923 . 5 1 1 A 80 80 LYS C C 80 172.973 174.457 -1.484 1
1 924 . 5 1 1 A 80 80 LYS CA C 80 56.604 55.211 1.393 1
1 925 . 5 1 1 A 80 80 LYS CB C 80 34.331 35.966 -1.635 1
1 929 . 5 1 1 A 80 80 LYS N N 80 123.623 119.566 4.057 1
1 930 . 5 1 1 A 81 81 LEU H H 81 8.504 8.774 -0.270 1
1 931 . 5 1 1 A 81 81 LEU HA H 81 5.531 5.486 0.045 1
1 941 . 5 1 1 A 81 81 LEU C C 81 176.366 175.047 1.319 1
1 942 . 5 1 1 A 81 81 LEU CA C 81 53.665 53.129 0.536 1
1 943 . 5 1 1 A 81 81 LEU CB C 81 45.969 45.349 0.620 1
1 947 . 5 1 1 A 81 81 LEU N N 81 124.594 127.929 -3.335 1
1 948 . 5 1 1 A 82 82 GLU H H 82 9.018 8.270 0.748 1
1 949 . 5 1 1 A 82 82 GLU HA H 82 4.826 4.406 0.420 1
1 954 . 5 1 1 A 82 82 GLU C C 82 174.439 175.194 -0.755 1
1 955 . 5 1 1 A 82 82 GLU CA C 82 56.376 54.555 1.821 1
1 956 . 5 1 1 A 82 82 GLU CB C 82 32.852 32.746 0.106 1
1 958 . 5 1 1 A 82 82 GLU N N 82 118.819 121.098 -2.279 1
1 959 . 5 1 1 A 83 83 ALA H H 83 8.027 8.759 -0.732 1
1 960 . 5 1 1 A 83 83 ALA HA H 83 4.980 4.472 0.508 1
1 964 . 5 1 1 A 83 83 ALA C C 83 176.439 179.041 -2.602 1
1 965 . 5 1 1 A 83 83 ALA CA C 83 50.059 50.699 -0.640 1
1 966 . 5 1 1 A 83 83 ALA CB C 83 21.702 20.886 0.816 1
1 967 . 5 1 1 A 83 83 ALA N N 83 127.765 128.277 -0.512 1
1 968 . 5 1 1 A 84 84 LYS H H 84 9.017 8.294 0.723 1
1 969 . 5 1 1 A 84 84 LYS HA H 84 4.432 4.405 0.027 1
1 977 . 5 1 1 A 84 84 LYS C C 84 175.930 176.210 -0.280 1
1 978 . 5 1 1 A 84 84 LYS CA C 84 56.956 57.172 -0.216 1
1 979 . 5 1 1 A 84 84 LYS CB C 84 32.974 33.584 -0.610 1
1 983 . 5 1 1 A 84 84 LYS N N 84 115.456 116.465 -1.009 1
1 984 . 5 1 1 A 85 85 SER H H 85 7.324 7.712 -0.388 1
1 985 . 5 1 1 A 85 85 SER HA H 85 4.074 4.272 -0.198 1
1 988 . 5 1 1 A 85 85 SER C C 85 173.421 173.917 -0.496 1
1 989 . 5 1 1 A 85 85 SER CA C 85 56.038 55.815 0.223 1
1 990 . 5 1 1 A 85 85 SER CB C 85 66.506 64.910 1.596 1
1 991 . 5 1 1 A 85 85 SER N N 85 110.261 114.980 -4.719 1
1 992 . 5 1 1 A 86 86 SER H H 86 8.610 8.196 0.414 1
1 993 . 5 1 1 A 86 86 SER HA H 86 3.648 3.844 -0.196 1
1 996 . 5 1 1 A 86 86 SER C C 86 177.784 176.758 1.026 1
1 997 . 5 1 1 A 86 86 SER CA C 86 61.391 61.209 0.182 1
1 998 . 5 1 1 A 86 86 SER CB C 86 62.378 62.902 -0.524 1
1 999 . 5 1 1 A 86 86 SER N N 86 117.136 120.446 -3.310 1
1 1000 . 5 1 1 A 87 87 GLU H H 87 8.890 8.211 0.679 1
1 1001 . 5 1 1 A 87 87 GLU HA H 87 4.031 4.045 -0.014 1
1 1006 . 5 1 1 A 87 87 GLU C C 87 179.492 178.733 0.759 1
1 1007 . 5 1 1 A 87 87 GLU CA C 87 59.983 59.082 0.901 1
1 1008 . 5 1 1 A 87 87 GLU CB C 87 28.969 29.321 -0.352 1
1 1010 . 5 1 1 A 87 87 GLU N N 87 123.189 118.620 4.569 1
1 1011 . 5 1 1 A 88 88 GLU H H 88 8.015 8.306 -0.291 1
1 1012 . 5 1 1 A 88 88 GLU HA H 88 4.243 4.140 0.103 1
1 1017 . 5 1 1 A 88 88 GLU C C 88 178.472 178.836 -0.364 1
1 1018 . 5 1 1 A 88 88 GLU CA C 88 59.642 59.383 0.259 1
1 1019 . 5 1 1 A 88 88 GLU CB C 88 31.016 29.323 1.693 1
1 1021 . 5 1 1 A 88 88 GLU N N 88 121.015 119.848 1.167 1
1 1022 . 5 1 1 A 89 89 MET H H 89 8.334 8.403 -0.069 1
1 1023 . 5 1 1 A 89 89 MET HA H 89 3.843 4.270 -0.427 1
1 1030 . 5 1 1 A 89 89 MET C C 89 177.396 178.647 -1.251 1
1 1031 . 5 1 1 A 89 89 MET CA C 89 60.458 58.026 2.432 1
1 1032 . 5 1 1 A 89 89 MET CB C 89 32.481 32.576 -0.095 1
1 1035 . 5 1 1 A 89 89 MET N N 89 119.764 118.906 0.858 1
1 1036 . 5 1 1 A 90 90 GLY H H 90 8.452 8.330 0.122 1
1 1037 . 5 1 1 A 90 90 GLY HA2 H 90 4.008 3.712 0.296 1
1 1038 . 5 1 1 A 90 90 GLY HA3 H 90 3.723 3.733 -0.010 1
1 1039 . 5 1 1 A 90 90 GLY C C 90 176.814 175.477 1.337 1
1 1040 . 5 1 1 A 90 90 GLY CA C 90 47.489 46.807 0.682 1
1 1041 . 5 1 1 A 90 90 GLY N N 90 105.180 108.558 -3.378 1
1 1042 . 5 1 1 A 91 91 HIS H H 91 7.919 7.955 -0.036 1
1 1043 . 5 1 1 A 91 91 HIS HA H 91 4.329 4.227 0.102 1
1 1048 . 5 1 1 A 91 91 HIS C C 91 178.208 177.077 1.131 1
1 1049 . 5 1 1 A 91 91 HIS CA C 91 59.367 58.646 0.721 1
1 1050 . 5 1 1 A 91 91 HIS CB C 91 30.612 30.013 0.599 1
1 1053 . 5 1 1 A 91 91 HIS N N 91 121.929 120.962 0.967 1
1 1054 . 5 1 1 A 92 92 TRP H H 92 8.199 7.542 0.657 1
1 1055 . 5 1 1 A 92 92 TRP HA H 92 3.829 4.168 -0.339 1
1 1064 . 5 1 1 A 92 92 TRP C C 92 178.257 178.549 -0.292 1
1 1065 . 5 1 1 A 92 92 TRP CA C 92 62.464 59.562 2.902 1
1 1066 . 5 1 1 A 92 92 TRP CB C 92 29.190 29.985 -0.795 1
1 1072 . 5 1 1 A 92 92 TRP N N 92 120.070 117.975 2.095 1
1 1074 . 5 1 1 A 93 93 LEU H H 93 8.740 8.286 0.454 1
1 1075 . 5 1 1 A 93 93 LEU HA H 93 3.695 3.695 0.000 1
1 1085 . 5 1 1 A 93 93 LEU C C 93 179.105 179.206 -0.101 1
1 1086 . 5 1 1 A 93 93 LEU CA C 93 59.076 58.192 0.884 1
1 1087 . 5 1 1 A 93 93 LEU CB C 93 40.993 41.692 -0.699 1
1 1091 . 5 1 1 A 93 93 LEU N N 93 119.445 120.191 -0.746 1
1 1092 . 5 1 1 A 94 94 GLY H H 94 7.616 8.098 -0.482 1
1 1093 . 5 1 1 A 94 94 GLY HA2 H 94 3.852 3.599 0.253 1
1 1094 . 5 1 1 A 94 94 GLY HA3 H 94 3.759 3.618 0.141 1
1 1095 . 5 1 1 A 94 94 GLY C C 94 176.693 175.410 1.283 1
1 1096 . 5 1 1 A 94 94 GLY CA C 94 47.120 47.259 -0.139 1
1 1097 . 5 1 1 A 94 94 GLY N N 94 102.951 105.199 -2.248 1
1 1098 . 5 1 1 A 95 95 LEU H H 95 7.853 7.518 0.335 1
1 1099 . 5 1 1 A 95 95 LEU HA H 95 4.024 3.802 0.222 1
1 1109 . 5 1 1 A 95 95 LEU C C 95 179.589 178.314 1.275 1
1 1110 . 5 1 1 A 95 95 LEU CA C 95 57.678 57.509 0.169 1
1 1111 . 5 1 1 A 95 95 LEU CB C 95 42.533 41.275 1.258 1
1 1115 . 5 1 1 A 95 95 LEU N N 95 123.479 122.741 0.738 1
1 1116 . 5 1 1 A 96 96 LEU H H 96 8.649 8.489 0.160 1
1 1117 . 5 1 1 A 96 96 LEU HA H 96 3.971 4.019 -0.048 1
1 1127 . 5 1 1 A 96 96 LEU C C 96 179.068 178.998 0.070 1
1 1128 . 5 1 1 A 96 96 LEU CA C 96 57.906 57.923 -0.017 1
1 1129 . 5 1 1 A 96 96 LEU CB C 96 42.104 41.734 0.370 1
1 1133 . 5 1 1 A 96 96 LEU N N 96 118.046 118.646 -0.600 1
1 1134 . 5 1 1 A 97 97 LEU H H 97 8.198 8.243 -0.045 1
1 1135 . 5 1 1 A 97 97 LEU HA H 97 4.234 4.177 0.057 1
1 1145 . 5 1 1 A 97 97 LEU C C 97 180.177 178.966 1.211 1
1 1146 . 5 1 1 A 97 97 LEU CA C 97 57.361 58.084 -0.723 1
1 1147 . 5 1 1 A 97 97 LEU CB C 97 41.611 41.572 0.039 1
1 1151 . 5 1 1 A 97 97 LEU N N 97 118.670 118.939 -0.269 1
1 1152 . 5 1 1 A 98 98 SER H H 98 7.818 7.951 -0.133 1
1 1153 . 5 1 1 A 98 98 SER HA H 98 4.328 3.996 0.332 1
1 1156 . 5 1 1 A 98 98 SER C C 98 176.863 176.938 -0.075 1
1 1157 . 5 1 1 A 98 98 SER CA C 98 61.004 62.010 -1.006 1
1 1158 . 5 1 1 A 98 98 SER CB C 98 63.322 62.577 0.745 1
1 1159 . 5 1 1 A 98 98 SER N N 98 115.679 113.743 1.936 1
1 1160 . 5 1 1 A 99 99 GLU H H 99 8.003 7.613 0.390 1
1 1161 . 5 1 1 A 99 99 GLU HA H 99 4.193 4.152 0.041 1
1 1166 . 5 1 1 A 99 99 GLU C C 99 177.226 177.429 -0.203 1
1 1167 . 5 1 1 A 99 99 GLU CA C 99 57.449 59.192 -1.743 1
1 1168 . 5 1 1 A 99 99 GLU CB C 99 30.260 29.474 0.786 1
1 1170 . 5 1 1 A 99 99 GLU N N 99 120.518 122.093 -1.575 1
1 1171 . 5 1 1 A 100 100 SER H H 100 7.892 8.475 -0.583 1
1 1172 . 5 1 1 A 100 100 SER HA H 100 4.582 4.801 -0.219 1
1 1175 . 5 1 1 A 100 100 SER C C 100 175.881 174.399 1.482 1
1 1176 . 5 1 1 A 100 100 SER CA C 100 59.561 57.840 1.721 1
1 1177 . 5 1 1 A 100 100 SER CB C 100 64.188 62.399 1.789 1
1 1178 . 5 1 1 A 100 100 SER N N 100 113.686 112.082 1.604 1
1 1179 . 5 1 1 A 101 101 GLY H H 101 7.861 8.079 -0.218 1
1 1180 . 5 1 1 A 101 101 GLY HA2 H 101 4.114 4.209 -0.095 1
1 1181 . 5 1 1 A 101 101 GLY HA3 H 101 4.063 4.218 -0.155 1
1 1182 . 5 1 1 A 101 101 GLY C C 101 174.076 172.122 1.954 1
1 1183 . 5 1 1 A 101 101 GLY CA C 101 45.501 46.209 -0.708 1
1 1184 . 5 1 1 A 101 101 GLY N N 101 109.148 111.945 -2.797 1
1 1185 . 5 1 1 A 102 102 SER H H 102 8.260 8.495 -0.235 1
1 1186 . 5 1 1 A 102 102 SER HA H 102 4.543 5.236 -0.693 1
1 1189 . 5 1 1 A 102 102 SER C C 102 174.851 174.212 0.639 1
1 1190 . 5 1 1 A 102 102 SER CA C 102 58.646 57.259 1.387 1
1 1191 . 5 1 1 A 102 102 SER CB C 102 64.211 66.127 -1.916 1
1 1192 . 5 1 1 A 102 102 SER N N 102 116.298 117.458 -1.160 1
1 1193 . 5 1 1 A 103 103 GLY H H 103 8.252 8.385 -0.133 1
1 1194 . 5 1 1 A 103 103 GLY HA2 H 103 4.173 4.230 -0.057 1
1 1195 . 5 1 1 A 103 103 GLY HA3 H 103 4.074 4.235 -0.161 1
1 1196 . 5 1 1 A 103 103 GLY C C 103 171.773 173.916 -2.143 1
1 1197 . 5 1 1 A 103 103 GLY CA C 103 44.777 45.613 -0.836 1
1 1198 . 5 1 1 A 103 103 GLY N N 103 110.162 110.439 -0.277 1
1 1199 . 5 1 1 A 104 104 PRO HA H 104 4.515 4.538 -0.023 1
1 1206 . 5 1 1 A 104 104 PRO CA C 104 63.224 63.279 -0.055 1
1 1207 . 5 1 1 A 104 104 PRO CB C 104 32.174 32.139 0.035 1
1 1210 . 5 1 1 A 105 105 SER H H 105 8.559 8.192 0.367 1
1 1211 . 5 1 1 A 105 105 SER CA C 105 60.998 59.609 1.389 1
1 1212 . 5 1 1 A 105 105 SER CB C 105 63.768 61.427 2.341 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.952 3.767 0.185 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.952 3.953 -0.001 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.197 172.227 1.970 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.378 45.426 -0.048 1
1 5 . 6 1 1 A 8 8 LEU H H 8 8.030 8.340 -0.310 1
1 6 . 6 1 1 A 8 8 LEU HA H 8 4.321 5.053 -0.732 1
1 16 . 6 1 1 A 8 8 LEU C C 8 177.468 176.303 1.165 1
1 17 . 6 1 1 A 8 8 LEU CA C 8 55.320 52.527 2.793 1
1 18 . 6 1 1 A 8 8 LEU CB C 8 42.556 44.713 -2.157 1
1 22 . 6 1 1 A 8 8 LEU N N 8 121.494 118.283 3.211 1
1 23 . 6 1 1 A 9 9 GLU H H 9 8.577 8.499 0.078 1
1 24 . 6 1 1 A 9 9 GLU HA H 9 4.454 4.273 0.181 1
1 29 . 6 1 1 A 9 9 GLU C C 9 177.056 176.936 0.120 1
1 30 . 6 1 1 A 9 9 GLU CA C 9 56.956 56.317 0.639 1
1 31 . 6 1 1 A 9 9 GLU CB C 9 30.237 30.424 -0.187 1
1 33 . 6 1 1 A 9 9 GLU N N 9 121.449 118.023 3.426 1
1 34 . 6 1 1 A 10 10 THR H H 10 8.189 8.592 -0.403 1
1 35 . 6 1 1 A 10 10 THR HA H 10 4.323 3.841 0.482 1
1 40 . 6 1 1 A 10 10 THR CA C 10 62.062 64.779 -2.717 1
1 41 . 6 1 1 A 10 10 THR CB C 10 69.441 68.926 0.515 1
1 43 . 6 1 1 A 10 10 THR N N 10 113.730 114.592 -0.862 1
1 44 . 6 1 1 A 11 11 SER H H 11 7.883 7.735 0.148 1
1 45 . 6 1 1 A 11 11 SER HA H 11 5.249 4.653 0.596 1
1 48 . 6 1 1 A 11 11 SER CA C 11 57.852 59.105 -1.253 1
1 49 . 6 1 1 A 11 11 SER CB C 11 65.426 61.838 3.588 1
1 50 . 6 1 1 A 12 12 SER H H 12 8.413 8.853 -0.440 1
1 51 . 6 1 1 A 12 12 SER HA H 12 4.467 5.260 -0.793 1
1 54 . 6 1 1 A 12 12 SER CA C 12 58.741 57.647 1.094 1
1 55 . 6 1 1 A 12 12 SER CB C 12 65.239 67.366 -2.127 1
1 56 . 6 1 1 A 12 12 SER N N 12 116.995 121.086 -4.091 1
1 57 . 6 1 1 A 13 13 TYR H H 13 8.156 8.766 -0.610 1
1 58 . 6 1 1 A 13 13 TYR HA H 13 4.936 4.635 0.301 1
1 65 . 6 1 1 A 13 13 TYR CA C 13 58.533 57.323 1.210 1
1 68 . 6 1 1 A 13 13 TYR N N 13 121.972 123.365 -1.393 1
1 69 . 6 1 1 A 14 14 LEU H H 14 8.803 8.400 0.403 1
1 70 . 6 1 1 A 14 14 LEU HA H 14 4.573 4.901 -0.328 1
1 80 . 6 1 1 A 14 14 LEU C C 14 175.845 175.257 0.588 1
1 81 . 6 1 1 A 14 14 LEU CA C 14 54.141 53.425 0.716 1
1 82 . 6 1 1 A 14 14 LEU CB C 14 46.603 45.505 1.098 1
1 86 . 6 1 1 A 14 14 LEU N N 14 123.967 128.580 -4.613 1
1 87 . 6 1 1 A 15 15 ASN H H 15 8.090 8.647 -0.557 1
1 88 . 6 1 1 A 15 15 ASN HA H 15 5.669 5.042 0.627 1
1 93 . 6 1 1 A 15 15 ASN C C 15 174.972 174.022 0.950 1
1 94 . 6 1 1 A 15 15 ASN CA C 15 51.589 52.535 -0.946 1
1 95 . 6 1 1 A 15 15 ASN CB C 15 40.317 39.364 0.953 1
1 96 . 6 1 1 A 15 15 ASN N N 15 117.248 119.935 -2.687 1
1 98 . 6 1 1 A 16 16 VAL H H 16 9.452 8.199 1.253 1
1 99 . 6 1 1 A 16 16 VAL HA H 16 4.743 4.523 0.220 1
1 107 . 6 1 1 A 16 16 VAL C C 16 174.269 176.187 -1.918 1
1 108 . 6 1 1 A 16 16 VAL CA C 16 60.574 61.854 -1.280 1
1 109 . 6 1 1 A 16 16 VAL CB C 16 35.194 32.374 2.820 1
1 112 . 6 1 1 A 16 16 VAL N N 16 122.909 125.338 -2.429 1
1 113 . 6 1 1 A 17 17 LEU H H 17 7.892 8.845 -0.953 1
1 114 . 6 1 1 A 17 17 LEU HA H 17 3.679 3.940 -0.261 1
1 124 . 6 1 1 A 17 17 LEU C C 17 175.747 175.176 0.571 1
1 125 . 6 1 1 A 17 17 LEU CA C 17 54.493 56.098 -1.605 1
1 126 . 6 1 1 A 17 17 LEU CB C 17 40.541 41.507 -0.966 1
1 130 . 6 1 1 A 17 17 LEU N N 17 130.093 130.884 -0.791 1
1 131 . 6 1 1 A 18 18 VAL H H 18 8.923 8.876 0.047 1
1 132 . 6 1 1 A 18 18 VAL HA H 18 4.053 4.261 -0.208 1
1 140 . 6 1 1 A 18 18 VAL C C 18 175.869 175.863 0.006 1
1 141 . 6 1 1 A 18 18 VAL CA C 18 61.285 61.191 0.094 1
1 142 . 6 1 1 A 18 18 VAL CB C 18 33.609 34.149 -0.540 1
1 145 . 6 1 1 A 18 18 VAL N N 18 130.417 127.550 2.867 1
1 146 . 6 1 1 A 19 19 ASN H H 19 9.323 9.383 -0.060 1
1 147 . 6 1 1 A 19 19 ASN HA H 19 4.232 4.308 -0.076 1
1 152 . 6 1 1 A 19 19 ASN C C 19 174.948 175.157 -0.209 1
1 153 . 6 1 1 A 19 19 ASN CA C 19 54.809 54.587 0.222 1
1 154 . 6 1 1 A 19 19 ASN CB C 19 37.192 36.751 0.441 1
1 155 . 6 1 1 A 19 19 ASN N N 19 127.579 127.584 -0.005 1
1 157 . 6 1 1 A 20 20 SER H H 20 8.464 8.370 0.094 1
1 158 . 6 1 1 A 20 20 SER HA H 20 3.653 3.938 -0.285 1
1 161 . 6 1 1 A 20 20 SER C C 20 172.645 172.862 -0.217 1
1 162 . 6 1 1 A 20 20 SER CA C 20 60.458 59.153 1.305 1
1 163 . 6 1 1 A 20 20 SER CB C 20 62.584 61.886 0.698 1
1 164 . 6 1 1 A 20 20 SER N N 20 106.869 111.409 -4.540 1
1 165 . 6 1 1 A 21 21 GLN H H 21 7.695 7.290 0.405 1
1 166 . 6 1 1 A 21 21 GLN HA H 21 4.591 4.661 -0.070 1
1 173 . 6 1 1 A 21 21 GLN C C 21 174.003 174.635 -0.632 1
1 174 . 6 1 1 A 21 21 GLN CA C 21 53.772 54.117 -0.345 1
1 175 . 6 1 1 A 21 21 GLN CB C 21 32.069 31.970 0.099 1
1 177 . 6 1 1 A 21 21 GLN N N 21 120.372 117.884 2.488 1
1 179 . 6 1 1 A 22 22 TRP H H 22 8.743 8.834 -0.091 1
1 180 . 6 1 1 A 22 22 TRP HA H 22 4.690 4.922 -0.232 1
1 189 . 6 1 1 A 22 22 TRP C C 22 176.863 175.990 0.873 1
1 190 . 6 1 1 A 22 22 TRP CA C 22 57.062 57.092 -0.030 1
1 191 . 6 1 1 A 22 22 TRP CB C 22 29.323 29.151 0.172 1
1 197 . 6 1 1 A 22 22 TRP N N 22 124.919 124.231 0.688 1
1 199 . 6 1 1 A 23 23 LYS H H 23 9.302 8.417 0.885 1
1 200 . 6 1 1 A 23 23 LYS HA H 23 4.798 4.801 -0.003 1
1 208 . 6 1 1 A 23 23 LYS C C 23 176.050 176.084 -0.034 1
1 209 . 6 1 1 A 23 23 LYS CA C 23 54.106 54.405 -0.299 1
1 210 . 6 1 1 A 23 23 LYS CB C 23 35.583 34.977 0.606 1
1 214 . 6 1 1 A 23 23 LYS N N 23 124.474 125.670 -1.196 1
1 215 . 6 1 1 A 24 24 SER H H 24 8.740 8.730 0.010 1
1 216 . 6 1 1 A 24 24 SER HA H 24 5.035 4.526 0.509 1
1 219 . 6 1 1 A 24 24 SER C C 24 175.905 173.794 2.111 1
1 220 . 6 1 1 A 24 24 SER CA C 24 58.857 58.914 -0.057 1
1 221 . 6 1 1 A 24 24 SER CB C 24 63.489 63.550 -0.061 1
1 222 . 6 1 1 A 24 24 SER N N 24 118.568 119.269 -0.701 1
1 223 . 6 1 1 A 25 25 ARG H H 25 9.302 8.069 1.233 1
1 224 . 6 1 1 A 25 25 ARG HA H 25 4.946 5.011 -0.065 1
1 231 . 6 1 1 A 25 25 ARG C C 25 173.724 174.054 -0.330 1
1 232 . 6 1 1 A 25 25 ARG CA C 25 54.440 54.712 -0.272 1
1 233 . 6 1 1 A 25 25 ARG CB C 25 34.825 34.120 0.705 1
1 236 . 6 1 1 A 25 25 ARG N N 25 126.895 124.214 2.681 1
1 237 . 6 1 1 A 26 26 TRP H H 26 8.668 9.186 -0.518 1
1 238 . 6 1 1 A 26 26 TRP HA H 26 4.780 5.130 -0.350 1
1 247 . 6 1 1 A 26 26 TRP C C 26 175.796 175.186 0.610 1
1 248 . 6 1 1 A 26 26 TRP CA C 26 57.555 56.044 1.511 1
1 249 . 6 1 1 A 26 26 TRP CB C 26 29.833 30.382 -0.549 1
1 255 . 6 1 1 A 26 26 TRP N N 26 123.493 127.717 -4.224 1
1 257 . 6 1 1 A 27 27 CYS H H 27 8.884 8.877 0.007 1
1 258 . 6 1 1 A 27 27 CYS HA H 27 5.668 5.132 0.536 1
1 261 . 6 1 1 A 27 27 CYS C C 27 174.560 174.599 -0.039 1
1 262 . 6 1 1 A 27 27 CYS CA C 27 58.184 58.098 0.086 1
1 263 . 6 1 1 A 27 27 CYS CB C 27 31.516 28.461 3.055 1
1 264 . 6 1 1 A 27 27 CYS N N 27 124.947 127.804 -2.857 1
1 265 . 6 1 1 A 28 28 SER H H 28 8.566 8.803 -0.237 1
1 266 . 6 1 1 A 28 28 SER HA H 28 5.240 5.306 -0.066 1
1 269 . 6 1 1 A 28 28 SER C C 28 173.106 173.193 -0.087 1
1 270 . 6 1 1 A 28 28 SER CA C 28 57.027 57.154 -0.127 1
1 271 . 6 1 1 A 28 28 SER CB C 28 66.738 65.915 0.823 1
1 272 . 6 1 1 A 28 28 SER N N 28 114.751 119.910 -5.159 1
1 273 . 6 1 1 A 29 29 VAL H H 29 8.843 8.684 0.159 1
1 274 . 6 1 1 A 29 29 VAL HA H 29 5.302 5.230 0.072 1
1 282 . 6 1 1 A 29 29 VAL C C 29 175.905 175.338 0.567 1
1 283 . 6 1 1 A 29 29 VAL CA C 29 61.233 61.660 -0.427 1
1 284 . 6 1 1 A 29 29 VAL CB C 29 32.832 32.894 -0.062 1
1 287 . 6 1 1 A 29 29 VAL N N 29 125.688 127.778 -2.090 1
1 288 . 6 1 1 A 30 30 ARG H H 30 8.964 9.392 -0.428 1
1 289 . 6 1 1 A 30 30 ARG HA H 30 4.620 4.570 0.050 1
1 295 . 6 1 1 A 30 30 ARG C C 30 176.160 175.407 0.753 1
1 296 . 6 1 1 A 30 30 ARG CA C 30 55.901 56.165 -0.264 1
1 297 . 6 1 1 A 30 30 ARG CB C 30 33.198 33.119 0.079 1
1 300 . 6 1 1 A 30 30 ARG N N 30 125.513 125.660 -0.147 1
1 301 . 6 1 1 A 31 31 ASP H H 31 9.773 9.684 0.089 1
1 302 . 6 1 1 A 31 31 ASP HA H 31 4.451 4.346 0.105 1
1 305 . 6 1 1 A 31 31 ASP C C 31 177.008 175.241 1.767 1
1 306 . 6 1 1 A 31 31 ASP CA C 31 55.936 55.251 0.685 1
1 307 . 6 1 1 A 31 31 ASP CB C 31 39.659 39.581 0.078 1
1 308 . 6 1 1 A 31 31 ASP N N 31 127.085 125.928 1.157 1
1 309 . 6 1 1 A 32 32 ASN H H 32 9.639 8.169 1.470 1
1 310 . 6 1 1 A 32 32 ASN HA H 32 4.535 4.289 0.246 1
1 315 . 6 1 1 A 32 32 ASN C C 32 172.766 173.761 -0.995 1
1 316 . 6 1 1 A 32 32 ASN CA C 32 55.549 54.562 0.987 1
1 317 . 6 1 1 A 32 32 ASN CB C 32 38.238 36.991 1.247 1
1 318 . 6 1 1 A 32 32 ASN N N 32 112.101 109.157 2.944 1
1 320 . 6 1 1 A 33 33 HIS H H 33 8.292 7.791 0.501 1
1 321 . 6 1 1 A 33 33 HIS HA H 33 5.368 5.318 0.050 1
1 326 . 6 1 1 A 33 33 HIS C C 33 172.718 173.285 -0.567 1
1 327 . 6 1 1 A 33 33 HIS CA C 33 55.303 54.504 0.799 1
1 328 . 6 1 1 A 33 33 HIS CB C 33 32.851 34.051 -1.200 1
1 331 . 6 1 1 A 33 33 HIS N N 33 116.294 116.158 0.136 1
1 332 . 6 1 1 A 34 34 LEU H H 34 8.987 9.265 -0.278 1
1 333 . 6 1 1 A 34 34 LEU HA H 34 4.784 4.905 -0.121 1
1 342 . 6 1 1 A 34 34 LEU C C 34 173.240 174.789 -1.549 1
1 343 . 6 1 1 A 34 34 LEU CA C 34 53.719 53.311 0.408 1
1 344 . 6 1 1 A 34 34 LEU CB C 34 45.147 43.750 1.397 1
1 348 . 6 1 1 A 34 34 LEU N N 34 122.961 124.641 -1.680 1
1 349 . 6 1 1 A 35 35 HIS H H 35 9.169 9.531 -0.362 1
1 350 . 6 1 1 A 35 35 HIS HA H 35 4.713 4.964 -0.251 1
1 355 . 6 1 1 A 35 35 HIS C C 35 174.778 174.554 0.224 1
1 356 . 6 1 1 A 35 35 HIS CA C 35 55.284 55.728 -0.444 1
1 357 . 6 1 1 A 35 35 HIS CB C 35 34.455 31.966 2.489 1
1 360 . 6 1 1 A 35 35 HIS N N 35 125.201 126.114 -0.913 1
1 361 . 6 1 1 A 36 36 PHE H H 36 9.522 8.762 0.760 1
1 362 . 6 1 1 A 36 36 PHE HA H 36 5.014 5.200 -0.186 1
1 370 . 6 1 1 A 36 36 PHE C C 36 174.911 174.129 0.782 1
1 371 . 6 1 1 A 36 36 PHE CA C 36 56.217 56.453 -0.236 1
1 372 . 6 1 1 A 36 36 PHE CB C 36 43.666 41.632 2.034 1
1 378 . 6 1 1 A 36 36 PHE N N 36 118.294 118.817 -0.523 1
1 379 . 6 1 1 A 37 37 TYR H H 37 9.783 9.660 0.123 1
1 380 . 6 1 1 A 37 37 TYR HA H 37 5.453 5.293 0.160 1
1 387 . 6 1 1 A 37 37 TYR C C 37 176.475 175.825 0.650 1
1 388 . 6 1 1 A 37 37 TYR CA C 37 57.185 56.578 0.607 1
1 389 . 6 1 1 A 37 37 TYR CB C 37 41.569 43.228 -1.659 1
1 394 . 6 1 1 A 37 37 TYR N N 37 121.241 122.355 -1.114 1
1 395 . 6 1 1 A 38 38 GLN H H 38 9.233 8.972 0.261 1
1 396 . 6 1 1 A 38 38 GLN HA H 38 4.480 4.778 -0.298 1
1 403 . 6 1 1 A 38 38 GLN C C 38 175.408 175.524 -0.116 1
1 404 . 6 1 1 A 38 38 GLN CA C 38 57.977 56.877 1.100 1
1 405 . 6 1 1 A 38 38 GLN CB C 38 29.825 30.688 -0.863 1
1 407 . 6 1 1 A 38 38 GLN N N 38 119.348 121.213 -1.865 1
1 409 . 6 1 1 A 39 39 ASP H H 39 8.674 8.063 0.611 1
1 410 . 6 1 1 A 39 39 ASP HA H 39 4.849 4.667 0.182 1
1 413 . 6 1 1 A 39 39 ASP CA C 39 52.402 54.017 -1.615 1
1 414 . 6 1 1 A 39 39 ASP CB C 39 43.525 41.215 2.310 1
1 415 . 6 1 1 A 40 40 ARG H H 40 7.823 8.676 -0.853 1
1 416 . 6 1 1 A 40 40 ARG HA H 40 2.342 4.247 -1.905 1
1 423 . 6 1 1 A 40 40 ARG CA C 40 57.183 56.498 0.685 1
1 424 . 6 1 1 A 40 40 ARG CB C 40 29.300 30.836 -1.536 1
1 427 . 6 1 1 A 40 40 ARG N N 40 119.412 121.904 -2.492 1
1 428 . 6 1 1 A 41 41 ASN H H 41 7.601 8.818 -1.217 1
1 429 . 6 1 1 A 41 41 ASN HA H 41 4.408 4.172 0.236 1
1 434 . 6 1 1 A 41 41 ASN C C 41 174.584 174.151 0.433 1
1 435 . 6 1 1 A 41 41 ASN CA C 41 53.396 54.288 -0.892 1
1 436 . 6 1 1 A 41 41 ASN CB C 41 37.847 36.793 1.054 1
1 437 . 6 1 1 A 41 41 ASN N N 41 114.895 115.167 -0.272 1
1 439 . 6 1 1 A 42 42 ARG H H 42 7.927 7.395 0.532 1
1 440 . 6 1 1 A 42 42 ARG HA H 42 3.271 3.218 0.053 1
1 446 . 6 1 1 A 42 42 ARG CA C 42 57.164 56.280 0.884 1
1 449 . 6 1 1 A 42 42 ARG N N 42 115.263 110.354 4.909 1
1 450 . 6 1 1 A 43 43 SER H H 43 9.112 7.794 1.318 1
1 451 . 6 1 1 A 43 43 SER HA H 43 4.444 4.385 0.059 1
1 454 . 6 1 1 A 43 43 SER CA C 43 59.742 61.604 -1.862 1
1 455 . 6 1 1 A 43 43 SER CB C 43 64.693 63.649 1.044 1
1 456 . 6 1 1 A 43 43 SER N N 43 115.094 112.986 2.108 1
1 457 . 6 1 1 A 44 44 LYS H H 44 8.543 8.012 0.531 1
1 458 . 6 1 1 A 44 44 LYS HA H 44 4.784 4.658 0.126 1
1 464 . 6 1 1 A 44 44 LYS C C 44 175.723 175.750 -0.027 1
1 465 . 6 1 1 A 44 44 LYS CA C 44 55.091 55.650 -0.559 1
1 466 . 6 1 1 A 44 44 LYS CB C 44 34.642 33.604 1.038 1
1 470 . 6 1 1 A 45 45 VAL H H 45 8.965 9.014 -0.049 1
1 471 . 6 1 1 A 45 45 VAL HA H 45 4.043 4.112 -0.069 1
1 479 . 6 1 1 A 45 45 VAL C C 45 176.656 176.083 0.573 1
1 480 . 6 1 1 A 45 45 VAL CA C 45 63.883 62.402 1.481 1
1 481 . 6 1 1 A 45 45 VAL CB C 45 32.621 30.634 1.987 1
1 484 . 6 1 1 A 45 45 VAL N N 45 127.663 124.996 2.667 1
1 485 . 6 1 1 A 46 46 ALA H H 46 9.214 8.320 0.894 1
1 486 . 6 1 1 A 46 46 ALA HA H 46 4.523 3.998 0.525 1
1 490 . 6 1 1 A 46 46 ALA C C 46 176.560 177.078 -0.518 1
1 491 . 6 1 1 A 46 46 ALA CA C 46 52.610 55.549 -2.939 1
1 492 . 6 1 1 A 46 46 ALA CB C 46 20.929 18.984 1.945 1
1 493 . 6 1 1 A 46 46 ALA N N 46 129.165 131.454 -2.289 1
1 494 . 6 1 1 A 47 47 GLN H H 47 7.504 7.075 0.429 1
1 495 . 6 1 1 A 47 47 GLN HA H 47 4.494 4.622 -0.128 1
1 502 . 6 1 1 A 47 47 GLN C C 47 173.057 174.544 -1.487 1
1 503 . 6 1 1 A 47 47 GLN CA C 47 54.458 54.698 -0.240 1
1 504 . 6 1 1 A 47 47 GLN CB C 47 30.918 30.448 0.470 1
1 506 . 6 1 1 A 47 47 GLN N N 47 112.591 110.792 1.799 1
1 508 . 6 1 1 A 48 48 GLN H H 48 8.541 8.294 0.247 1
1 509 . 6 1 1 A 48 48 GLN HA H 48 4.420 4.500 -0.080 1
1 516 . 6 1 1 A 48 48 GLN C C 48 172.864 174.064 -1.200 1
1 517 . 6 1 1 A 48 48 GLN CA C 48 54.774 54.509 0.265 1
1 518 . 6 1 1 A 48 48 GLN CB C 48 28.017 27.890 0.127 1
1 520 . 6 1 1 A 48 48 GLN N N 48 120.933 120.274 0.659 1
1 522 . 6 1 1 A 49 49 PRO HA H 49 4.963 4.688 0.275 1
1 529 . 6 1 1 A 49 49 PRO C C 49 177.105 175.333 1.772 1
1 530 . 6 1 1 A 49 49 PRO CA C 49 63.010 62.230 0.780 1
1 531 . 6 1 1 A 49 49 PRO CB C 49 32.625 32.346 0.279 1
1 534 . 6 1 1 A 50 50 LEU H H 50 8.937 8.793 0.144 1
1 535 . 6 1 1 A 50 50 LEU HA H 50 4.742 5.066 -0.324 1
1 545 . 6 1 1 A 50 50 LEU C C 50 176.147 175.646 0.501 1
1 546 . 6 1 1 A 50 50 LEU CA C 50 53.120 53.253 -0.133 1
1 547 . 6 1 1 A 50 50 LEU CB C 50 45.352 45.628 -0.276 1
1 551 . 6 1 1 A 50 50 LEU N N 50 121.454 122.047 -0.593 1
1 552 . 6 1 1 A 51 51 SER H H 51 8.771 8.866 -0.095 1
1 553 . 6 1 1 A 51 51 SER HA H 51 3.434 4.394 -0.960 1
1 556 . 6 1 1 A 51 51 SER C C 51 175.081 174.358 0.723 1
1 557 . 6 1 1 A 51 51 SER CA C 51 57.936 57.305 0.631 1
1 558 . 6 1 1 A 51 51 SER CB C 51 62.378 62.481 -0.103 1
1 559 . 6 1 1 A 51 51 SER N N 51 120.178 118.041 2.137 1
1 560 . 6 1 1 A 52 52 LEU H H 52 8.045 7.481 0.564 1
1 561 . 6 1 1 A 52 52 LEU HA H 52 4.443 3.836 0.607 1
1 571 . 6 1 1 A 52 52 LEU C C 52 177.916 177.914 0.002 1
1 572 . 6 1 1 A 52 52 LEU CA C 52 55.105 57.983 -2.878 1
1 573 . 6 1 1 A 52 52 LEU CB C 52 42.762 41.528 1.234 1
1 577 . 6 1 1 A 52 52 LEU N N 52 125.348 127.764 -2.416 1
1 578 . 6 1 1 A 53 53 VAL H H 53 7.418 7.452 -0.034 1
1 579 . 6 1 1 A 53 53 VAL HA H 53 3.841 3.849 -0.008 1
1 587 . 6 1 1 A 53 53 VAL C C 53 178.123 177.089 1.034 1
1 588 . 6 1 1 A 53 53 VAL CA C 53 64.893 64.856 0.037 1
1 589 . 6 1 1 A 53 53 VAL CB C 53 30.973 31.196 -0.223 1
1 592 . 6 1 1 A 53 53 VAL N N 53 119.590 118.084 1.506 1
1 593 . 6 1 1 A 54 54 GLY H H 54 9.187 8.803 0.384 1
1 594 . 6 1 1 A 54 54 GLY HA2 H 54 4.292 4.018 0.274 1
1 595 . 6 1 1 A 54 54 GLY HA3 H 54 3.934 4.055 -0.121 1
1 596 . 6 1 1 A 54 54 GLY C C 54 175.275 175.039 0.236 1
1 597 . 6 1 1 A 54 54 GLY CA C 54 45.906 45.127 0.779 1
1 598 . 6 1 1 A 54 54 GLY N N 54 115.764 114.873 0.891 1
1 599 . 6 1 1 A 55 55 CYS H H 55 7.871 8.332 -0.461 1
1 600 . 6 1 1 A 55 55 CYS HA H 55 5.052 4.638 0.414 1
1 603 . 6 1 1 A 55 55 CYS C C 55 174.112 173.444 0.668 1
1 604 . 6 1 1 A 55 55 CYS CA C 55 60.352 59.379 0.973 1
1 605 . 6 1 1 A 55 55 CYS CB C 55 28.779 29.202 -0.423 1
1 606 . 6 1 1 A 55 55 CYS N N 55 117.748 120.199 -2.451 1
1 607 . 6 1 1 A 56 56 GLU H H 56 9.140 8.802 0.338 1
1 608 . 6 1 1 A 56 56 GLU HA H 56 4.672 4.875 -0.203 1
1 612 . 6 1 1 A 56 56 GLU C C 56 175.105 174.536 0.569 1
1 613 . 6 1 1 A 56 56 GLU CA C 56 55.179 55.331 -0.152 1
1 614 . 6 1 1 A 56 56 GLU CB C 56 33.097 33.562 -0.465 1
1 616 . 6 1 1 A 56 56 GLU N N 56 120.179 122.042 -1.863 1
1 617 . 6 1 1 A 57 57 VAL H H 57 8.385 8.911 -0.526 1
1 618 . 6 1 1 A 57 57 VAL HA H 57 5.238 4.828 0.410 1
1 626 . 6 1 1 A 57 57 VAL C C 57 175.238 175.903 -0.665 1
1 627 . 6 1 1 A 57 57 VAL CA C 57 61.064 62.182 -1.118 1
1 628 . 6 1 1 A 57 57 VAL CB C 57 33.429 32.210 1.219 1
1 631 . 6 1 1 A 57 57 VAL N N 57 122.535 127.828 -5.293 1
1 632 . 6 1 1 A 58 58 VAL H H 58 8.884 9.178 -0.294 1
1 633 . 6 1 1 A 58 58 VAL HA H 58 5.053 4.902 0.151 1
1 641 . 6 1 1 A 58 58 VAL C C 58 174.027 173.624 0.403 1
1 642 . 6 1 1 A 58 58 VAL CA C 58 57.977 57.970 0.007 1
1 643 . 6 1 1 A 58 58 VAL CB C 58 35.583 34.395 1.188 1
1 646 . 6 1 1 A 58 58 VAL N N 58 122.081 121.965 0.116 1
1 647 . 6 1 1 A 59 59 PRO HA H 59 4.573 4.909 -0.336 1
1 654 . 6 1 1 A 59 59 PRO C C 59 175.457 175.171 0.286 1
1 655 . 6 1 1 A 59 59 PRO CA C 59 63.643 62.325 1.318 1
1 656 . 6 1 1 A 59 59 PRO CB C 59 32.915 29.953 2.962 1
1 659 . 6 1 1 A 60 60 ASP H H 60 8.989 8.529 0.460 1
1 660 . 6 1 1 A 60 60 ASP HA H 60 5.179 5.309 -0.130 1
1 663 . 6 1 1 A 60 60 ASP C C 60 172.742 174.161 -1.419 1
1 664 . 6 1 1 A 60 60 ASP CA C 60 52.698 50.919 1.779 1
1 665 . 6 1 1 A 60 60 ASP CB C 60 43.314 41.351 1.963 1
1 666 . 6 1 1 A 60 60 ASP N N 60 122.718 123.853 -1.135 1
1 667 . 6 1 1 A 61 61 PRO HA H 61 4.681 5.062 -0.381 1
1 674 . 6 1 1 A 61 61 PRO C C 61 177.420 175.571 1.849 1
1 675 . 6 1 1 A 61 61 PRO CA C 61 63.594 62.590 1.004 1
1 676 . 6 1 1 A 61 61 PRO CB C 61 32.950 32.729 0.221 1
1 679 . 6 1 1 A 62 62 SER H H 62 7.803 8.125 -0.322 1
1 680 . 6 1 1 A 62 62 SER HA H 62 4.797 5.075 -0.278 1
1 683 . 6 1 1 A 62 62 SER C C 62 174.851 174.761 0.090 1
1 684 . 6 1 1 A 62 62 SER CA C 62 56.896 56.109 0.787 1
1 685 . 6 1 1 A 62 62 SER CB C 62 63.959 65.010 -1.051 1
1 686 . 6 1 1 A 62 62 SER N N 62 115.582 116.150 -0.568 1
1 687 . 6 1 1 A 63 63 PRO HA H 63 4.089 4.478 -0.389 1
1 694 . 6 1 1 A 63 63 PRO C C 63 177.105 176.058 1.047 1
1 695 . 6 1 1 A 63 63 PRO CA C 63 66.024 64.095 1.929 1
1 696 . 6 1 1 A 63 63 PRO CB C 63 31.763 31.566 0.197 1
1 699 . 6 1 1 A 64 64 ASP H H 64 8.361 7.995 0.366 1
1 700 . 6 1 1 A 64 64 ASP HA H 64 4.290 4.597 -0.307 1
1 703 . 6 1 1 A 64 64 ASP C C 64 174.802 175.699 -0.897 1
1 704 . 6 1 1 A 64 64 ASP CA C 64 54.458 54.591 -0.133 1
1 705 . 6 1 1 A 64 64 ASP CB C 64 40.481 43.338 -2.857 1
1 706 . 6 1 1 A 64 64 ASP N N 64 111.867 117.144 -5.277 1
1 707 . 6 1 1 A 65 65 HIS H H 65 7.781 7.773 0.008 1
1 708 . 6 1 1 A 65 65 HIS HA H 65 4.558 4.651 -0.093 1
1 713 . 6 1 1 A 65 65 HIS C C 65 174.972 175.141 -0.169 1
1 714 . 6 1 1 A 65 65 HIS CA C 65 54.370 53.970 0.400 1
1 715 . 6 1 1 A 65 65 HIS CB C 65 28.450 28.912 -0.462 1
1 718 . 6 1 1 A 65 65 HIS N N 65 120.793 116.222 4.571 1
1 719 . 6 1 1 A 66 66 LEU H H 66 8.206 8.058 0.148 1
1 720 . 6 1 1 A 66 66 LEU HA H 66 3.893 3.978 -0.085 1
1 730 . 6 1 1 A 66 66 LEU C C 66 178.826 176.472 2.354 1
1 731 . 6 1 1 A 66 66 LEU CA C 66 57.857 56.879 0.978 1
1 732 . 6 1 1 A 66 66 LEU CB C 66 42.245 41.481 0.764 1
1 736 . 6 1 1 A 66 66 LEU N N 66 124.390 126.464 -2.074 1
1 737 . 6 1 1 A 67 67 TYR H H 67 8.612 7.419 1.193 1
1 738 . 6 1 1 A 67 67 TYR HA H 67 5.417 4.841 0.576 1
1 745 . 6 1 1 A 67 67 TYR C C 67 176.403 174.258 2.145 1
1 746 . 6 1 1 A 67 67 TYR CA C 67 55.320 56.438 -1.118 1
1 747 . 6 1 1 A 67 67 TYR CB C 67 35.524 36.427 -0.903 1
1 752 . 6 1 1 A 67 67 TYR N N 67 118.042 118.044 -0.002 1
1 753 . 6 1 1 A 68 68 SER H H 68 6.652 8.138 -1.486 1
1 754 . 6 1 1 A 68 68 SER HA H 68 5.742 5.243 0.499 1
1 757 . 6 1 1 A 68 68 SER C C 68 174.827 173.347 1.480 1
1 758 . 6 1 1 A 68 68 SER CA C 68 56.147 56.868 -0.721 1
1 759 . 6 1 1 A 68 68 SER CB C 68 65.504 65.438 0.066 1
1 760 . 6 1 1 A 68 68 SER N N 68 111.076 113.669 -2.593 1
1 761 . 6 1 1 A 69 69 PHE H H 69 9.089 8.329 0.760 1
1 762 . 6 1 1 A 69 69 PHE HA H 69 5.212 5.817 -0.605 1
1 770 . 6 1 1 A 69 69 PHE C C 69 171.676 173.451 -1.775 1
1 771 . 6 1 1 A 69 69 PHE CA C 69 55.918 54.944 0.974 1
1 772 . 6 1 1 A 69 69 PHE CB C 69 41.034 42.711 -1.677 1
1 778 . 6 1 1 A 69 69 PHE N N 69 121.539 119.591 1.948 1
1 779 . 6 1 1 A 70 70 ARG H H 70 9.299 9.083 0.216 1
1 780 . 6 1 1 A 70 70 ARG HA H 70 5.333 5.118 0.215 1
1 787 . 6 1 1 A 70 70 ARG C C 70 174.197 174.422 -0.225 1
1 788 . 6 1 1 A 70 70 ARG CA C 70 54.198 54.004 0.194 1
1 789 . 6 1 1 A 70 70 ARG CB C 70 35.236 34.239 0.997 1
1 792 . 6 1 1 A 70 70 ARG N N 70 117.458 118.121 -0.663 1
1 794 . 6 1 1 A 71 71 ILE H H 71 8.505 8.644 -0.139 1
1 795 . 6 1 1 A 71 71 ILE HA H 71 4.974 5.393 -0.419 1
1 805 . 6 1 1 A 71 71 ILE C C 71 174.996 175.111 -0.115 1
1 806 . 6 1 1 A 71 71 ILE CA C 71 60.622 59.990 0.632 1
1 807 . 6 1 1 A 71 71 ILE CB C 71 39.636 40.888 -1.252 1
1 811 . 6 1 1 A 71 71 ILE N N 71 119.757 122.213 -2.456 1
1 812 . 6 1 1 A 72 72 LEU H H 72 9.488 9.101 0.387 1
1 813 . 6 1 1 A 72 72 LEU HA H 72 5.473 5.424 0.049 1
1 823 . 6 1 1 A 72 72 LEU C C 72 176.172 176.253 -0.081 1
1 824 . 6 1 1 A 72 72 LEU CA C 72 53.507 53.988 -0.481 1
1 825 . 6 1 1 A 72 72 LEU CB C 72 46.393 46.057 0.336 1
1 829 . 6 1 1 A 72 72 LEU N N 72 128.277 126.106 2.171 1
1 830 . 6 1 1 A 73 73 HIS H H 73 9.087 8.722 0.365 1
1 831 . 6 1 1 A 73 73 HIS HA H 73 4.888 4.556 0.332 1
1 836 . 6 1 1 A 73 73 HIS C C 73 175.118 175.784 -0.666 1
1 837 . 6 1 1 A 73 73 HIS CA C 73 56.675 58.260 -1.585 1
1 838 . 6 1 1 A 73 73 HIS CB C 73 32.933 31.698 1.235 1
1 841 . 6 1 1 A 73 73 HIS N N 73 119.084 123.022 -3.938 1
1 842 . 6 1 1 A 74 74 LYS H H 74 9.551 7.931 1.620 1
1 843 . 6 1 1 A 74 74 LYS HA H 74 3.763 4.339 -0.576 1
1 852 . 6 1 1 A 74 74 LYS C C 74 176.851 176.564 0.287 1
1 853 . 6 1 1 A 74 74 LYS CA C 74 56.969 55.138 1.831 1
1 854 . 6 1 1 A 74 74 LYS CB C 74 29.766 32.647 -2.881 1
1 858 . 6 1 1 A 74 74 LYS N N 74 128.764 116.475 12.289 1
1 859 . 6 1 1 A 75 75 GLY H H 75 8.877 8.071 0.806 1
1 860 . 6 1 1 A 75 75 GLY HA2 H 75 3.523 3.913 -0.390 1
1 861 . 6 1 1 A 75 75 GLY HA3 H 75 4.213 3.924 0.289 1
1 862 . 6 1 1 A 75 75 GLY C C 75 173.566 173.931 -0.365 1
1 863 . 6 1 1 A 75 75 GLY CA C 75 45.346 45.180 0.166 1
1 864 . 6 1 1 A 75 75 GLY N N 75 104.552 108.118 -3.566 1
1 865 . 6 1 1 A 76 76 GLU H H 76 7.922 7.906 0.016 1
1 866 . 6 1 1 A 76 76 GLU HA H 76 4.491 4.716 -0.225 1
1 871 . 6 1 1 A 76 76 GLU C C 76 175.651 174.902 0.749 1
1 872 . 6 1 1 A 76 76 GLU CA C 76 54.721 54.687 0.034 1
1 873 . 6 1 1 A 76 76 GLU CB C 76 31.187 31.748 -0.561 1
1 875 . 6 1 1 A 76 76 GLU N N 76 121.492 119.896 1.596 1
1 876 . 6 1 1 A 77 77 GLU H H 77 8.925 8.707 0.218 1
1 877 . 6 1 1 A 77 77 GLU HA H 77 4.309 4.587 -0.278 1
1 881 . 6 1 1 A 77 77 GLU C C 77 175.857 175.248 0.609 1
1 882 . 6 1 1 A 77 77 GLU CA C 77 57.412 55.696 1.716 1
1 883 . 6 1 1 A 77 77 GLU CB C 77 31.146 30.443 0.703 1
1 885 . 6 1 1 A 77 77 GLU N N 77 125.541 121.408 4.133 1
1 886 . 6 1 1 A 78 78 LEU H H 78 9.475 8.878 0.597 1
1 887 . 6 1 1 A 78 78 LEU HA H 78 4.513 4.401 0.112 1
1 897 . 6 1 1 A 78 78 LEU C C 78 177.541 177.051 0.490 1
1 898 . 6 1 1 A 78 78 LEU CA C 78 55.443 56.245 -0.802 1
1 899 . 6 1 1 A 78 78 LEU CB C 78 43.776 42.422 1.354 1
1 903 . 6 1 1 A 78 78 LEU N N 78 128.715 128.933 -0.218 1
1 904 . 6 1 1 A 79 79 ALA H H 79 7.550 7.755 -0.205 1
1 905 . 6 1 1 A 79 79 ALA HA H 79 4.503 4.685 -0.182 1
1 909 . 6 1 1 A 79 79 ALA C C 79 174.342 175.066 -0.724 1
1 910 . 6 1 1 A 79 79 ALA CA C 79 51.906 51.371 0.535 1
1 911 . 6 1 1 A 79 79 ALA CB C 79 22.017 23.263 -1.246 1
1 912 . 6 1 1 A 79 79 ALA N N 79 116.317 116.978 -0.661 1
1 913 . 6 1 1 A 80 80 LYS H H 80 8.743 8.723 0.020 1
1 914 . 6 1 1 A 80 80 LYS HA H 80 4.725 4.834 -0.109 1
1 923 . 6 1 1 A 80 80 LYS C C 80 172.973 174.837 -1.864 1
1 924 . 6 1 1 A 80 80 LYS CA C 80 56.604 55.295 1.309 1
1 925 . 6 1 1 A 80 80 LYS CB C 80 34.331 35.659 -1.328 1
1 929 . 6 1 1 A 80 80 LYS N N 80 123.623 120.557 3.066 1
1 930 . 6 1 1 A 81 81 LEU H H 81 8.504 8.627 -0.123 1
1 931 . 6 1 1 A 81 81 LEU HA H 81 5.531 5.332 0.199 1
1 941 . 6 1 1 A 81 81 LEU C C 81 176.366 175.415 0.951 1
1 942 . 6 1 1 A 81 81 LEU CA C 81 53.665 52.805 0.860 1
1 943 . 6 1 1 A 81 81 LEU CB C 81 45.969 44.794 1.175 1
1 947 . 6 1 1 A 81 81 LEU N N 81 124.594 128.079 -3.485 1
1 948 . 6 1 1 A 82 82 GLU H H 82 9.018 8.506 0.512 1
1 949 . 6 1 1 A 82 82 GLU HA H 82 4.826 4.688 0.138 1
1 954 . 6 1 1 A 82 82 GLU C C 82 174.439 175.733 -1.294 1
1 955 . 6 1 1 A 82 82 GLU CA C 82 56.376 54.418 1.958 1
1 956 . 6 1 1 A 82 82 GLU CB C 82 32.852 32.939 -0.087 1
1 958 . 6 1 1 A 82 82 GLU N N 82 118.819 121.362 -2.543 1
1 959 . 6 1 1 A 83 83 ALA H H 83 8.027 8.787 -0.760 1
1 960 . 6 1 1 A 83 83 ALA HA H 83 4.980 4.573 0.407 1
1 964 . 6 1 1 A 83 83 ALA C C 83 176.439 179.272 -2.833 1
1 965 . 6 1 1 A 83 83 ALA CA C 83 50.059 51.242 -1.183 1
1 966 . 6 1 1 A 83 83 ALA CB C 83 21.702 20.596 1.106 1
1 967 . 6 1 1 A 83 83 ALA N N 83 127.765 128.461 -0.696 1
1 968 . 6 1 1 A 84 84 LYS H H 84 9.017 8.576 0.441 1
1 969 . 6 1 1 A 84 84 LYS HA H 84 4.432 4.492 -0.060 1
1 977 . 6 1 1 A 84 84 LYS C C 84 175.930 176.323 -0.393 1
1 978 . 6 1 1 A 84 84 LYS CA C 84 56.956 56.934 0.022 1
1 979 . 6 1 1 A 84 84 LYS CB C 84 32.974 33.779 -0.805 1
1 983 . 6 1 1 A 84 84 LYS N N 84 115.456 116.535 -1.079 1
1 984 . 6 1 1 A 85 85 SER H H 85 7.324 7.656 -0.332 1
1 985 . 6 1 1 A 85 85 SER HA H 85 4.074 3.930 0.144 1
1 988 . 6 1 1 A 85 85 SER C C 85 173.421 173.950 -0.529 1
1 989 . 6 1 1 A 85 85 SER CA C 85 56.038 55.542 0.496 1
1 990 . 6 1 1 A 85 85 SER CB C 85 66.506 65.003 1.503 1
1 991 . 6 1 1 A 85 85 SER N N 85 110.261 114.891 -4.630 1
1 992 . 6 1 1 A 86 86 SER H H 86 8.610 8.144 0.466 1
1 993 . 6 1 1 A 86 86 SER HA H 86 3.648 4.007 -0.359 1
1 996 . 6 1 1 A 86 86 SER C C 86 177.784 176.597 1.187 1
1 997 . 6 1 1 A 86 86 SER CA C 86 61.391 61.207 0.184 1
1 998 . 6 1 1 A 86 86 SER CB C 86 62.378 62.769 -0.391 1
1 999 . 6 1 1 A 86 86 SER N N 86 117.136 120.012 -2.876 1
1 1000 . 6 1 1 A 87 87 GLU H H 87 8.890 7.652 1.238 1
1 1001 . 6 1 1 A 87 87 GLU HA H 87 4.031 4.046 -0.015 1
1 1006 . 6 1 1 A 87 87 GLU C C 87 179.492 179.051 0.441 1
1 1007 . 6 1 1 A 87 87 GLU CA C 87 59.983 59.326 0.657 1
1 1008 . 6 1 1 A 87 87 GLU CB C 87 28.969 29.355 -0.386 1
1 1010 . 6 1 1 A 87 87 GLU N N 87 123.189 121.682 1.507 1
1 1011 . 6 1 1 A 88 88 GLU H H 88 8.015 8.080 -0.065 1
1 1012 . 6 1 1 A 88 88 GLU HA H 88 4.243 4.148 0.095 1
1 1017 . 6 1 1 A 88 88 GLU C C 88 178.472 178.769 -0.297 1
1 1018 . 6 1 1 A 88 88 GLU CA C 88 59.642 59.436 0.206 1
1 1019 . 6 1 1 A 88 88 GLU CB C 88 31.016 29.312 1.704 1
1 1021 . 6 1 1 A 88 88 GLU N N 88 121.015 120.033 0.982 1
1 1022 . 6 1 1 A 89 89 MET H H 89 8.334 8.470 -0.136 1
1 1023 . 6 1 1 A 89 89 MET HA H 89 3.843 4.204 -0.361 1
1 1030 . 6 1 1 A 89 89 MET C C 89 177.396 178.654 -1.258 1
1 1031 . 6 1 1 A 89 89 MET CA C 89 60.458 58.000 2.458 1
1 1032 . 6 1 1 A 89 89 MET CB C 89 32.481 32.528 -0.047 1
1 1035 . 6 1 1 A 89 89 MET N N 89 119.764 118.899 0.865 1
1 1036 . 6 1 1 A 90 90 GLY H H 90 8.452 8.164 0.288 1
1 1037 . 6 1 1 A 90 90 GLY HA2 H 90 4.008 3.635 0.373 1
1 1038 . 6 1 1 A 90 90 GLY HA3 H 90 3.723 3.661 0.062 1
1 1039 . 6 1 1 A 90 90 GLY C C 90 176.814 175.651 1.163 1
1 1040 . 6 1 1 A 90 90 GLY CA C 90 47.489 47.009 0.480 1
1 1041 . 6 1 1 A 90 90 GLY N N 90 105.180 108.616 -3.436 1
1 1042 . 6 1 1 A 91 91 HIS H H 91 7.919 8.004 -0.085 1
1 1043 . 6 1 1 A 91 91 HIS HA H 91 4.329 4.205 0.124 1
1 1048 . 6 1 1 A 91 91 HIS C C 91 178.208 177.243 0.965 1
1 1049 . 6 1 1 A 91 91 HIS CA C 91 59.367 58.982 0.385 1
1 1050 . 6 1 1 A 91 91 HIS CB C 91 30.612 29.833 0.779 1
1 1053 . 6 1 1 A 91 91 HIS N N 91 121.929 121.302 0.627 1
1 1054 . 6 1 1 A 92 92 TRP H H 92 8.199 7.490 0.709 1
1 1055 . 6 1 1 A 92 92 TRP HA H 92 3.829 4.147 -0.318 1
1 1064 . 6 1 1 A 92 92 TRP C C 92 178.257 178.386 -0.129 1
1 1065 . 6 1 1 A 92 92 TRP CA C 92 62.464 59.649 2.815 1
1 1066 . 6 1 1 A 92 92 TRP CB C 92 29.190 29.819 -0.629 1
1 1072 . 6 1 1 A 92 92 TRP N N 92 120.070 118.449 1.621 1
1 1074 . 6 1 1 A 93 93 LEU H H 93 8.740 8.306 0.434 1
1 1075 . 6 1 1 A 93 93 LEU HA H 93 3.695 3.735 -0.040 1
1 1085 . 6 1 1 A 93 93 LEU C C 93 179.105 179.206 -0.101 1
1 1086 . 6 1 1 A 93 93 LEU CA C 93 59.076 58.222 0.854 1
1 1087 . 6 1 1 A 93 93 LEU CB C 93 40.993 41.755 -0.762 1
1 1091 . 6 1 1 A 93 93 LEU N N 93 119.445 120.240 -0.795 1
1 1092 . 6 1 1 A 94 94 GLY H H 94 7.616 8.085 -0.469 1
1 1093 . 6 1 1 A 94 94 GLY HA2 H 94 3.852 3.609 0.243 1
1 1094 . 6 1 1 A 94 94 GLY HA3 H 94 3.759 3.629 0.130 1
1 1095 . 6 1 1 A 94 94 GLY C C 94 176.693 175.420 1.273 1
1 1096 . 6 1 1 A 94 94 GLY CA C 94 47.120 47.220 -0.100 1
1 1097 . 6 1 1 A 94 94 GLY N N 94 102.951 105.462 -2.511 1
1 1098 . 6 1 1 A 95 95 LEU H H 95 7.853 7.556 0.297 1
1 1099 . 6 1 1 A 95 95 LEU HA H 95 4.024 3.808 0.216 1
1 1109 . 6 1 1 A 95 95 LEU C C 95 179.589 178.314 1.275 1
1 1110 . 6 1 1 A 95 95 LEU CA C 95 57.678 57.670 0.008 1
1 1111 . 6 1 1 A 95 95 LEU CB C 95 42.533 41.368 1.165 1
1 1115 . 6 1 1 A 95 95 LEU N N 95 123.479 122.777 0.702 1
1 1116 . 6 1 1 A 96 96 LEU H H 96 8.649 8.539 0.110 1
1 1117 . 6 1 1 A 96 96 LEU HA H 96 3.971 4.019 -0.048 1
1 1127 . 6 1 1 A 96 96 LEU C C 96 179.068 179.227 -0.159 1
1 1128 . 6 1 1 A 96 96 LEU CA C 96 57.906 58.120 -0.214 1
1 1129 . 6 1 1 A 96 96 LEU CB C 96 42.104 41.637 0.467 1
1 1133 . 6 1 1 A 96 96 LEU N N 96 118.046 118.521 -0.475 1
1 1134 . 6 1 1 A 97 97 LEU H H 97 8.198 8.172 0.026 1
1 1135 . 6 1 1 A 97 97 LEU HA H 97 4.234 4.014 0.220 1
1 1145 . 6 1 1 A 97 97 LEU C C 97 180.177 178.866 1.311 1
1 1146 . 6 1 1 A 97 97 LEU CA C 97 57.361 58.104 -0.743 1
1 1147 . 6 1 1 A 97 97 LEU CB C 97 41.611 41.436 0.175 1
1 1151 . 6 1 1 A 97 97 LEU N N 97 118.670 119.449 -0.779 1
1 1152 . 6 1 1 A 98 98 SER H H 98 7.818 8.162 -0.344 1
1 1153 . 6 1 1 A 98 98 SER HA H 98 4.328 4.006 0.322 1
1 1156 . 6 1 1 A 98 98 SER C C 98 176.863 177.104 -0.241 1
1 1157 . 6 1 1 A 98 98 SER CA C 98 61.004 61.614 -0.610 1
1 1158 . 6 1 1 A 98 98 SER CB C 98 63.322 62.893 0.429 1
1 1159 . 6 1 1 A 98 98 SER N N 98 115.679 113.420 2.259 1
1 1160 . 6 1 1 A 99 99 GLU H H 99 8.003 7.658 0.345 1
1 1161 . 6 1 1 A 99 99 GLU HA H 99 4.193 4.191 0.002 1
1 1166 . 6 1 1 A 99 99 GLU C C 99 177.226 177.444 -0.218 1
1 1167 . 6 1 1 A 99 99 GLU CA C 99 57.449 59.336 -1.887 1
1 1168 . 6 1 1 A 99 99 GLU CB C 99 30.260 29.650 0.610 1
1 1170 . 6 1 1 A 99 99 GLU N N 99 120.518 121.540 -1.022 1
1 1171 . 6 1 1 A 100 100 SER H H 100 7.892 8.471 -0.579 1
1 1172 . 6 1 1 A 100 100 SER HA H 100 4.582 4.500 0.082 1
1 1175 . 6 1 1 A 100 100 SER C C 100 175.881 174.357 1.524 1
1 1176 . 6 1 1 A 100 100 SER CA C 100 59.561 57.700 1.861 1
1 1177 . 6 1 1 A 100 100 SER CB C 100 64.188 62.457 1.731 1
1 1178 . 6 1 1 A 100 100 SER N N 100 113.686 112.287 1.399 1
1 1179 . 6 1 1 A 101 101 GLY H H 101 7.861 8.195 -0.334 1
1 1180 . 6 1 1 A 101 101 GLY HA2 H 101 4.114 4.084 0.030 1
1 1181 . 6 1 1 A 101 101 GLY HA3 H 101 4.063 4.091 -0.028 1
1 1182 . 6 1 1 A 101 101 GLY C C 101 174.076 173.798 0.278 1
1 1183 . 6 1 1 A 101 101 GLY CA C 101 45.501 45.402 0.099 1
1 1184 . 6 1 1 A 101 101 GLY N N 101 109.148 111.857 -2.709 1
1 1185 . 6 1 1 A 102 102 SER H H 102 8.260 8.667 -0.407 1
1 1186 . 6 1 1 A 102 102 SER HA H 102 4.543 4.053 0.490 1
1 1189 . 6 1 1 A 102 102 SER C C 102 174.851 173.515 1.336 1
1 1190 . 6 1 1 A 102 102 SER CA C 102 58.646 59.173 -0.527 1
1 1191 . 6 1 1 A 102 102 SER CB C 102 64.211 61.786 2.425 1
1 1192 . 6 1 1 A 102 102 SER N N 102 116.298 117.123 -0.825 1
1 1193 . 6 1 1 A 103 103 GLY H H 103 8.252 7.973 0.279 1
1 1194 . 6 1 1 A 103 103 GLY HA2 H 103 4.173 4.166 0.007 1
1 1195 . 6 1 1 A 103 103 GLY HA3 H 103 4.074 4.168 -0.094 1
1 1196 . 6 1 1 A 103 103 GLY C C 103 171.773 174.214 -2.441 1
1 1197 . 6 1 1 A 103 103 GLY CA C 103 44.777 43.906 0.871 1
1 1198 . 6 1 1 A 103 103 GLY N N 103 110.162 109.247 0.915 1
1 1199 . 6 1 1 A 104 104 PRO HA H 104 4.515 4.471 0.044 1
1 1206 . 6 1 1 A 104 104 PRO CA C 104 63.224 64.094 -0.870 1
1 1207 . 6 1 1 A 104 104 PRO CB C 104 32.174 31.881 0.293 1
1 1210 . 6 1 1 A 105 105 SER H H 105 8.559 8.538 0.021 1
1 1211 . 6 1 1 A 105 105 SER CA C 105 60.998 61.508 -0.510 1
1 1212 . 6 1 1 A 105 105 SER CB C 105 63.768 63.123 0.645 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.952 3.984 -0.032 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.952 3.996 -0.044 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.197 174.545 -0.348 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.378 45.423 -0.045 1
1 5 . 7 1 1 A 8 8 LEU H H 8 8.030 7.607 0.423 1
1 6 . 7 1 1 A 8 8 LEU HA H 8 4.321 4.797 -0.476 1
1 16 . 7 1 1 A 8 8 LEU C C 8 177.468 176.805 0.663 1
1 17 . 7 1 1 A 8 8 LEU CA C 8 55.320 54.356 0.964 1
1 18 . 7 1 1 A 8 8 LEU CB C 8 42.556 41.988 0.568 1
1 22 . 7 1 1 A 8 8 LEU N N 8 121.494 119.028 2.466 1
1 23 . 7 1 1 A 9 9 GLU H H 9 8.577 7.484 1.093 1
1 24 . 7 1 1 A 9 9 GLU HA H 9 4.454 4.148 0.306 1
1 29 . 7 1 1 A 9 9 GLU C C 9 177.056 177.515 -0.459 1
1 30 . 7 1 1 A 9 9 GLU CA C 9 56.956 57.814 -0.858 1
1 31 . 7 1 1 A 9 9 GLU CB C 9 30.237 29.813 0.424 1
1 33 . 7 1 1 A 9 9 GLU N N 9 121.449 122.284 -0.835 1
1 34 . 7 1 1 A 10 10 THR H H 10 8.189 8.856 -0.667 1
1 35 . 7 1 1 A 10 10 THR HA H 10 4.323 3.814 0.509 1
1 40 . 7 1 1 A 10 10 THR CA C 10 62.062 62.923 -0.861 1
1 41 . 7 1 1 A 10 10 THR CB C 10 69.441 66.690 2.751 1
1 43 . 7 1 1 A 10 10 THR N N 10 113.730 118.200 -4.470 1
1 44 . 7 1 1 A 11 11 SER H H 11 7.883 8.141 -0.258 1
1 45 . 7 1 1 A 11 11 SER HA H 11 5.249 4.946 0.303 1
1 48 . 7 1 1 A 11 11 SER CA C 11 57.852 58.063 -0.211 1
1 49 . 7 1 1 A 11 11 SER CB C 11 65.426 65.384 0.042 1
1 50 . 7 1 1 A 12 12 SER H H 12 8.413 8.713 -0.300 1
1 51 . 7 1 1 A 12 12 SER HA H 12 4.467 4.769 -0.302 1
1 54 . 7 1 1 A 12 12 SER CA C 12 58.741 56.584 2.157 1
1 55 . 7 1 1 A 12 12 SER CB C 12 65.239 65.229 0.010 1
1 56 . 7 1 1 A 12 12 SER N N 12 116.995 121.252 -4.257 1
1 57 . 7 1 1 A 13 13 TYR H H 13 8.156 8.887 -0.731 1
1 58 . 7 1 1 A 13 13 TYR HA H 13 4.936 4.797 0.139 1
1 65 . 7 1 1 A 13 13 TYR CA C 13 58.533 56.898 1.635 1
1 68 . 7 1 1 A 13 13 TYR N N 13 121.972 121.080 0.892 1
1 69 . 7 1 1 A 14 14 LEU H H 14 8.803 8.817 -0.014 1
1 70 . 7 1 1 A 14 14 LEU HA H 14 4.573 4.886 -0.313 1
1 80 . 7 1 1 A 14 14 LEU C C 14 175.845 176.092 -0.247 1
1 81 . 7 1 1 A 14 14 LEU CA C 14 54.141 53.095 1.046 1
1 82 . 7 1 1 A 14 14 LEU CB C 14 46.603 43.367 3.236 1
1 86 . 7 1 1 A 14 14 LEU N N 14 123.967 125.493 -1.526 1
1 87 . 7 1 1 A 15 15 ASN H H 15 8.090 8.622 -0.532 1
1 88 . 7 1 1 A 15 15 ASN HA H 15 5.669 5.965 -0.296 1
1 93 . 7 1 1 A 15 15 ASN C C 15 174.972 174.363 0.609 1
1 94 . 7 1 1 A 15 15 ASN CA C 15 51.589 51.781 -0.192 1
1 95 . 7 1 1 A 15 15 ASN CB C 15 40.317 41.016 -0.699 1
1 96 . 7 1 1 A 15 15 ASN N N 15 117.248 118.019 -0.771 1
1 98 . 7 1 1 A 16 16 VAL H H 16 9.452 9.408 0.044 1
1 99 . 7 1 1 A 16 16 VAL HA H 16 4.743 4.582 0.161 1
1 107 . 7 1 1 A 16 16 VAL C C 16 174.269 176.278 -2.009 1
1 108 . 7 1 1 A 16 16 VAL CA C 16 60.574 61.948 -1.374 1
1 109 . 7 1 1 A 16 16 VAL CB C 16 35.194 32.841 2.353 1
1 112 . 7 1 1 A 16 16 VAL N N 16 122.909 125.639 -2.730 1
1 113 . 7 1 1 A 17 17 LEU H H 17 7.892 8.793 -0.901 1
1 114 . 7 1 1 A 17 17 LEU HA H 17 3.679 3.956 -0.277 1
1 124 . 7 1 1 A 17 17 LEU C C 17 175.747 175.064 0.683 1
1 125 . 7 1 1 A 17 17 LEU CA C 17 54.493 56.110 -1.617 1
1 126 . 7 1 1 A 17 17 LEU CB C 17 40.541 41.263 -0.722 1
1 130 . 7 1 1 A 17 17 LEU N N 17 130.093 131.147 -1.054 1
1 131 . 7 1 1 A 18 18 VAL H H 18 8.923 8.913 0.010 1
1 132 . 7 1 1 A 18 18 VAL HA H 18 4.053 4.311 -0.258 1
1 140 . 7 1 1 A 18 18 VAL C C 18 175.869 175.802 0.067 1
1 141 . 7 1 1 A 18 18 VAL CA C 18 61.285 61.160 0.125 1
1 142 . 7 1 1 A 18 18 VAL CB C 18 33.609 34.366 -0.757 1
1 145 . 7 1 1 A 18 18 VAL N N 18 130.417 128.022 2.395 1
1 146 . 7 1 1 A 19 19 ASN H H 19 9.323 9.369 -0.046 1
1 147 . 7 1 1 A 19 19 ASN HA H 19 4.232 4.332 -0.100 1
1 152 . 7 1 1 A 19 19 ASN C C 19 174.948 175.168 -0.220 1
1 153 . 7 1 1 A 19 19 ASN CA C 19 54.809 54.587 0.222 1
1 154 . 7 1 1 A 19 19 ASN CB C 19 37.192 36.659 0.533 1
1 155 . 7 1 1 A 19 19 ASN N N 19 127.579 127.870 -0.291 1
1 157 . 7 1 1 A 20 20 SER H H 20 8.464 8.405 0.059 1
1 158 . 7 1 1 A 20 20 SER HA H 20 3.653 3.985 -0.332 1
1 161 . 7 1 1 A 20 20 SER C C 20 172.645 172.943 -0.298 1
1 162 . 7 1 1 A 20 20 SER CA C 20 60.458 59.229 1.229 1
1 163 . 7 1 1 A 20 20 SER CB C 20 62.584 62.248 0.336 1
1 164 . 7 1 1 A 20 20 SER N N 20 106.869 111.631 -4.762 1
1 165 . 7 1 1 A 21 21 GLN H H 21 7.695 7.449 0.246 1
1 166 . 7 1 1 A 21 21 GLN HA H 21 4.591 4.690 -0.099 1
1 173 . 7 1 1 A 21 21 GLN C C 21 174.003 174.637 -0.634 1
1 174 . 7 1 1 A 21 21 GLN CA C 21 53.772 54.281 -0.509 1
1 175 . 7 1 1 A 21 21 GLN CB C 21 32.069 31.685 0.384 1
1 177 . 7 1 1 A 21 21 GLN N N 21 120.372 118.295 2.077 1
1 179 . 7 1 1 A 22 22 TRP H H 22 8.743 8.788 -0.045 1
1 180 . 7 1 1 A 22 22 TRP HA H 22 4.690 4.772 -0.082 1
1 189 . 7 1 1 A 22 22 TRP C C 22 176.863 176.147 0.716 1
1 190 . 7 1 1 A 22 22 TRP CA C 22 57.062 58.031 -0.969 1
1 191 . 7 1 1 A 22 22 TRP CB C 22 29.323 29.260 0.063 1
1 197 . 7 1 1 A 22 22 TRP N N 22 124.919 124.924 -0.005 1
1 199 . 7 1 1 A 23 23 LYS H H 23 9.302 9.137 0.165 1
1 200 . 7 1 1 A 23 23 LYS HA H 23 4.798 4.910 -0.112 1
1 208 . 7 1 1 A 23 23 LYS C C 23 176.050 176.226 -0.176 1
1 209 . 7 1 1 A 23 23 LYS CA C 23 54.106 55.232 -1.126 1
1 210 . 7 1 1 A 23 23 LYS CB C 23 35.583 34.605 0.978 1
1 214 . 7 1 1 A 23 23 LYS N N 23 124.474 126.070 -1.596 1
1 215 . 7 1 1 A 24 24 SER H H 24 8.740 8.805 -0.065 1
1 216 . 7 1 1 A 24 24 SER HA H 24 5.035 5.364 -0.329 1
1 219 . 7 1 1 A 24 24 SER C C 24 175.905 174.049 1.856 1
1 220 . 7 1 1 A 24 24 SER CA C 24 58.857 57.091 1.766 1
1 221 . 7 1 1 A 24 24 SER CB C 24 63.489 64.340 -0.851 1
1 222 . 7 1 1 A 24 24 SER N N 24 118.568 117.759 0.809 1
1 223 . 7 1 1 A 25 25 ARG H H 25 9.302 8.917 0.385 1
1 224 . 7 1 1 A 25 25 ARG HA H 25 4.946 5.084 -0.138 1
1 231 . 7 1 1 A 25 25 ARG C C 25 173.724 174.613 -0.889 1
1 232 . 7 1 1 A 25 25 ARG CA C 25 54.440 54.278 0.162 1
1 233 . 7 1 1 A 25 25 ARG CB C 25 34.825 33.961 0.864 1
1 236 . 7 1 1 A 25 25 ARG N N 25 126.895 122.846 4.049 1
1 237 . 7 1 1 A 26 26 TRP H H 26 8.668 9.387 -0.719 1
1 238 . 7 1 1 A 26 26 TRP HA H 26 4.780 4.753 0.027 1
1 247 . 7 1 1 A 26 26 TRP C C 26 175.796 175.747 0.049 1
1 248 . 7 1 1 A 26 26 TRP CA C 26 57.555 56.602 0.953 1
1 249 . 7 1 1 A 26 26 TRP CB C 26 29.833 29.973 -0.140 1
1 255 . 7 1 1 A 26 26 TRP N N 26 123.493 123.885 -0.392 1
1 257 . 7 1 1 A 27 27 CYS H H 27 8.884 8.451 0.433 1
1 258 . 7 1 1 A 27 27 CYS HA H 27 5.668 5.012 0.656 1
1 261 . 7 1 1 A 27 27 CYS C C 27 174.560 173.885 0.675 1
1 262 . 7 1 1 A 27 27 CYS CA C 27 58.184 58.077 0.107 1
1 263 . 7 1 1 A 27 27 CYS CB C 27 31.516 29.439 2.077 1
1 264 . 7 1 1 A 27 27 CYS N N 27 124.947 126.117 -1.170 1
1 265 . 7 1 1 A 28 28 SER H H 28 8.566 8.729 -0.163 1
1 266 . 7 1 1 A 28 28 SER HA H 28 5.240 5.298 -0.058 1
1 269 . 7 1 1 A 28 28 SER C C 28 173.106 173.202 -0.096 1
1 270 . 7 1 1 A 28 28 SER CA C 28 57.027 57.457 -0.430 1
1 271 . 7 1 1 A 28 28 SER CB C 28 66.738 65.552 1.186 1
1 272 . 7 1 1 A 28 28 SER N N 28 114.751 117.331 -2.580 1
1 273 . 7 1 1 A 29 29 VAL H H 29 8.843 9.162 -0.319 1
1 274 . 7 1 1 A 29 29 VAL HA H 29 5.302 5.166 0.136 1
1 282 . 7 1 1 A 29 29 VAL C C 29 175.905 175.177 0.728 1
1 283 . 7 1 1 A 29 29 VAL CA C 29 61.233 61.607 -0.374 1
1 284 . 7 1 1 A 29 29 VAL CB C 29 32.832 32.863 -0.031 1
1 287 . 7 1 1 A 29 29 VAL N N 29 125.688 127.922 -2.234 1
1 288 . 7 1 1 A 30 30 ARG H H 30 8.964 9.047 -0.083 1
1 289 . 7 1 1 A 30 30 ARG HA H 30 4.620 4.594 0.026 1
1 295 . 7 1 1 A 30 30 ARG C C 30 176.160 175.314 0.846 1
1 296 . 7 1 1 A 30 30 ARG CA C 30 55.901 56.203 -0.302 1
1 297 . 7 1 1 A 30 30 ARG CB C 30 33.198 33.195 0.003 1
1 300 . 7 1 1 A 30 30 ARG N N 30 125.513 125.572 -0.059 1
1 301 . 7 1 1 A 31 31 ASP H H 31 9.773 9.576 0.197 1
1 302 . 7 1 1 A 31 31 ASP HA H 31 4.451 4.379 0.072 1
1 305 . 7 1 1 A 31 31 ASP C C 31 177.008 175.238 1.770 1
1 306 . 7 1 1 A 31 31 ASP CA C 31 55.936 55.194 0.742 1
1 307 . 7 1 1 A 31 31 ASP CB C 31 39.659 39.595 0.064 1
1 308 . 7 1 1 A 31 31 ASP N N 31 127.085 126.721 0.364 1
1 309 . 7 1 1 A 32 32 ASN H H 32 9.639 8.630 1.009 1
1 310 . 7 1 1 A 32 32 ASN HA H 32 4.535 4.286 0.249 1
1 315 . 7 1 1 A 32 32 ASN C C 32 172.766 173.800 -1.034 1
1 316 . 7 1 1 A 32 32 ASN CA C 32 55.549 54.533 1.016 1
1 317 . 7 1 1 A 32 32 ASN CB C 32 38.238 36.877 1.361 1
1 318 . 7 1 1 A 32 32 ASN N N 32 112.101 109.206 2.895 1
1 320 . 7 1 1 A 33 33 HIS H H 33 8.292 7.727 0.565 1
1 321 . 7 1 1 A 33 33 HIS HA H 33 5.368 5.229 0.139 1
1 326 . 7 1 1 A 33 33 HIS C C 33 172.718 173.324 -0.606 1
1 327 . 7 1 1 A 33 33 HIS CA C 33 55.303 54.514 0.789 1
1 328 . 7 1 1 A 33 33 HIS CB C 33 32.851 34.019 -1.168 1
1 331 . 7 1 1 A 33 33 HIS N N 33 116.294 116.179 0.115 1
1 332 . 7 1 1 A 34 34 LEU H H 34 8.987 8.874 0.113 1
1 333 . 7 1 1 A 34 34 LEU HA H 34 4.784 4.926 -0.142 1
1 342 . 7 1 1 A 34 34 LEU C C 34 173.240 175.257 -2.017 1
1 343 . 7 1 1 A 34 34 LEU CA C 34 53.719 53.636 0.083 1
1 344 . 7 1 1 A 34 34 LEU CB C 34 45.147 43.742 1.405 1
1 348 . 7 1 1 A 34 34 LEU N N 34 122.961 125.203 -2.242 1
1 349 . 7 1 1 A 35 35 HIS H H 35 9.169 9.666 -0.497 1
1 350 . 7 1 1 A 35 35 HIS HA H 35 4.713 5.019 -0.306 1
1 355 . 7 1 1 A 35 35 HIS C C 35 174.778 175.110 -0.332 1
1 356 . 7 1 1 A 35 35 HIS CA C 35 55.284 56.255 -0.971 1
1 357 . 7 1 1 A 35 35 HIS CB C 35 34.455 31.850 2.605 1
1 360 . 7 1 1 A 35 35 HIS N N 35 125.201 126.205 -1.004 1
1 361 . 7 1 1 A 36 36 PHE H H 36 9.522 8.850 0.672 1
1 362 . 7 1 1 A 36 36 PHE HA H 36 5.014 5.186 -0.172 1
1 370 . 7 1 1 A 36 36 PHE C C 36 174.911 174.021 0.890 1
1 371 . 7 1 1 A 36 36 PHE CA C 36 56.217 56.206 0.011 1
1 372 . 7 1 1 A 36 36 PHE CB C 36 43.666 42.189 1.477 1
1 378 . 7 1 1 A 36 36 PHE N N 36 118.294 118.359 -0.065 1
1 379 . 7 1 1 A 37 37 TYR H H 37 9.783 8.814 0.969 1
1 380 . 7 1 1 A 37 37 TYR HA H 37 5.453 5.139 0.314 1
1 387 . 7 1 1 A 37 37 TYR C C 37 176.475 175.370 1.105 1
1 388 . 7 1 1 A 37 37 TYR CA C 37 57.185 56.719 0.466 1
1 389 . 7 1 1 A 37 37 TYR CB C 37 41.569 43.632 -2.063 1
1 394 . 7 1 1 A 37 37 TYR N N 37 121.241 121.104 0.137 1
1 395 . 7 1 1 A 38 38 GLN H H 38 9.233 8.575 0.658 1
1 396 . 7 1 1 A 38 38 GLN HA H 38 4.480 4.701 -0.221 1
1 403 . 7 1 1 A 38 38 GLN C C 38 175.408 175.356 0.052 1
1 404 . 7 1 1 A 38 38 GLN CA C 38 57.977 56.832 1.145 1
1 405 . 7 1 1 A 38 38 GLN CB C 38 29.825 31.043 -1.218 1
1 407 . 7 1 1 A 38 38 GLN N N 38 119.348 120.575 -1.227 1
1 409 . 7 1 1 A 39 39 ASP H H 39 8.674 7.829 0.845 1
1 410 . 7 1 1 A 39 39 ASP HA H 39 4.849 4.671 0.178 1
1 413 . 7 1 1 A 39 39 ASP CA C 39 52.402 53.059 -0.657 1
1 414 . 7 1 1 A 39 39 ASP CB C 39 43.525 42.397 1.128 1
1 415 . 7 1 1 A 40 40 ARG H H 40 7.823 8.768 -0.945 1
1 416 . 7 1 1 A 40 40 ARG HA H 40 2.342 3.800 -1.458 1
1 423 . 7 1 1 A 40 40 ARG CA C 40 57.183 56.343 0.840 1
1 424 . 7 1 1 A 40 40 ARG CB C 40 29.300 29.866 -0.566 1
1 427 . 7 1 1 A 40 40 ARG N N 40 119.412 117.875 1.537 1
1 428 . 7 1 1 A 41 41 ASN H H 41 7.601 7.702 -0.101 1
1 429 . 7 1 1 A 41 41 ASN HA H 41 4.408 4.870 -0.462 1
1 434 . 7 1 1 A 41 41 ASN C C 41 174.584 174.074 0.510 1
1 435 . 7 1 1 A 41 41 ASN CA C 41 53.396 52.609 0.787 1
1 436 . 7 1 1 A 41 41 ASN CB C 41 37.847 38.989 -1.142 1
1 437 . 7 1 1 A 41 41 ASN N N 41 114.895 117.706 -2.811 1
1 439 . 7 1 1 A 42 42 ARG H H 42 7.927 7.821 0.106 1
1 440 . 7 1 1 A 42 42 ARG HA H 42 3.271 3.647 -0.376 1
1 446 . 7 1 1 A 42 42 ARG CA C 42 57.164 56.788 0.376 1
1 449 . 7 1 1 A 42 42 ARG N N 42 115.263 115.402 -0.139 1
1 450 . 7 1 1 A 43 43 SER H H 43 9.112 7.820 1.292 1
1 451 . 7 1 1 A 43 43 SER HA H 43 4.444 4.674 -0.230 1
1 454 . 7 1 1 A 43 43 SER CA C 43 59.742 59.576 0.166 1
1 455 . 7 1 1 A 43 43 SER CB C 43 64.693 64.687 0.006 1
1 456 . 7 1 1 A 43 43 SER N N 43 115.094 112.629 2.465 1
1 457 . 7 1 1 A 44 44 LYS H H 44 8.543 7.683 0.860 1
1 458 . 7 1 1 A 44 44 LYS HA H 44 4.784 4.489 0.295 1
1 464 . 7 1 1 A 44 44 LYS C C 44 175.723 175.700 0.023 1
1 465 . 7 1 1 A 44 44 LYS CA C 44 55.091 55.700 -0.609 1
1 466 . 7 1 1 A 44 44 LYS CB C 44 34.642 31.495 3.147 1
1 470 . 7 1 1 A 45 45 VAL H H 45 8.965 8.457 0.508 1
1 471 . 7 1 1 A 45 45 VAL HA H 45 4.043 4.099 -0.056 1
1 479 . 7 1 1 A 45 45 VAL C C 45 176.656 176.082 0.574 1
1 480 . 7 1 1 A 45 45 VAL CA C 45 63.883 62.855 1.028 1
1 481 . 7 1 1 A 45 45 VAL CB C 45 32.621 30.796 1.825 1
1 484 . 7 1 1 A 45 45 VAL N N 45 127.663 126.275 1.388 1
1 485 . 7 1 1 A 46 46 ALA H H 46 9.214 8.258 0.956 1
1 486 . 7 1 1 A 46 46 ALA HA H 46 4.523 4.066 0.457 1
1 490 . 7 1 1 A 46 46 ALA C C 46 176.560 177.203 -0.643 1
1 491 . 7 1 1 A 46 46 ALA CA C 46 52.610 55.189 -2.579 1
1 492 . 7 1 1 A 46 46 ALA CB C 46 20.929 19.232 1.697 1
1 493 . 7 1 1 A 46 46 ALA N N 46 129.165 131.138 -1.973 1
1 494 . 7 1 1 A 47 47 GLN H H 47 7.504 7.542 -0.038 1
1 495 . 7 1 1 A 47 47 GLN HA H 47 4.494 4.478 0.016 1
1 502 . 7 1 1 A 47 47 GLN C C 47 173.057 174.421 -1.364 1
1 503 . 7 1 1 A 47 47 GLN CA C 47 54.458 54.631 -0.173 1
1 504 . 7 1 1 A 47 47 GLN CB C 47 30.918 30.418 0.500 1
1 506 . 7 1 1 A 47 47 GLN N N 47 112.591 111.056 1.535 1
1 508 . 7 1 1 A 48 48 GLN H H 48 8.541 8.306 0.235 1
1 509 . 7 1 1 A 48 48 GLN HA H 48 4.420 4.280 0.140 1
1 516 . 7 1 1 A 48 48 GLN C C 48 172.864 174.221 -1.357 1
1 517 . 7 1 1 A 48 48 GLN CA C 48 54.774 54.728 0.046 1
1 518 . 7 1 1 A 48 48 GLN CB C 48 28.017 28.053 -0.036 1
1 520 . 7 1 1 A 48 48 GLN N N 48 120.933 120.498 0.435 1
1 522 . 7 1 1 A 49 49 PRO HA H 49 4.963 4.652 0.311 1
1 529 . 7 1 1 A 49 49 PRO C C 49 177.105 175.405 1.700 1
1 530 . 7 1 1 A 49 49 PRO CA C 49 63.010 62.431 0.579 1
1 531 . 7 1 1 A 49 49 PRO CB C 49 32.625 32.113 0.512 1
1 534 . 7 1 1 A 50 50 LEU H H 50 8.937 8.847 0.090 1
1 535 . 7 1 1 A 50 50 LEU HA H 50 4.742 5.048 -0.306 1
1 545 . 7 1 1 A 50 50 LEU C C 50 176.147 175.490 0.657 1
1 546 . 7 1 1 A 50 50 LEU CA C 50 53.120 53.302 -0.182 1
1 547 . 7 1 1 A 50 50 LEU CB C 50 45.352 45.123 0.229 1
1 551 . 7 1 1 A 50 50 LEU N N 50 121.454 122.165 -0.711 1
1 552 . 7 1 1 A 51 51 SER H H 51 8.771 8.816 -0.045 1
1 553 . 7 1 1 A 51 51 SER HA H 51 3.434 4.470 -1.036 1
1 556 . 7 1 1 A 51 51 SER C C 51 175.081 174.329 0.752 1
1 557 . 7 1 1 A 51 51 SER CA C 51 57.936 56.947 0.989 1
1 558 . 7 1 1 A 51 51 SER CB C 51 62.378 62.813 -0.435 1
1 559 . 7 1 1 A 51 51 SER N N 51 120.178 117.990 2.188 1
1 560 . 7 1 1 A 52 52 LEU H H 52 8.045 7.913 0.132 1
1 561 . 7 1 1 A 52 52 LEU HA H 52 4.443 3.945 0.498 1
1 571 . 7 1 1 A 52 52 LEU C C 52 177.916 177.821 0.095 1
1 572 . 7 1 1 A 52 52 LEU CA C 52 55.105 58.057 -2.952 1
1 573 . 7 1 1 A 52 52 LEU CB C 52 42.762 41.584 1.178 1
1 577 . 7 1 1 A 52 52 LEU N N 52 125.348 127.735 -2.387 1
1 578 . 7 1 1 A 53 53 VAL H H 53 7.418 7.419 -0.001 1
1 579 . 7 1 1 A 53 53 VAL HA H 53 3.841 3.790 0.051 1
1 587 . 7 1 1 A 53 53 VAL C C 53 178.123 177.156 0.967 1
1 588 . 7 1 1 A 53 53 VAL CA C 53 64.893 64.797 0.096 1
1 589 . 7 1 1 A 53 53 VAL CB C 53 30.973 31.159 -0.186 1
1 592 . 7 1 1 A 53 53 VAL N N 53 119.590 118.106 1.484 1
1 593 . 7 1 1 A 54 54 GLY H H 54 9.187 8.784 0.403 1
1 594 . 7 1 1 A 54 54 GLY HA2 H 54 4.292 4.074 0.218 1
1 595 . 7 1 1 A 54 54 GLY HA3 H 54 3.934 4.091 -0.157 1
1 596 . 7 1 1 A 54 54 GLY C C 54 175.275 174.993 0.282 1
1 597 . 7 1 1 A 54 54 GLY CA C 54 45.906 45.126 0.780 1
1 598 . 7 1 1 A 54 54 GLY N N 54 115.764 114.896 0.868 1
1 599 . 7 1 1 A 55 55 CYS H H 55 7.871 8.384 -0.513 1
1 600 . 7 1 1 A 55 55 CYS HA H 55 5.052 4.670 0.382 1
1 603 . 7 1 1 A 55 55 CYS C C 55 174.112 173.459 0.653 1
1 604 . 7 1 1 A 55 55 CYS CA C 55 60.352 59.519 0.833 1
1 605 . 7 1 1 A 55 55 CYS CB C 55 28.779 29.396 -0.617 1
1 606 . 7 1 1 A 55 55 CYS N N 55 117.748 120.250 -2.502 1
1 607 . 7 1 1 A 56 56 GLU H H 56 9.140 8.982 0.158 1
1 608 . 7 1 1 A 56 56 GLU HA H 56 4.672 4.877 -0.205 1
1 612 . 7 1 1 A 56 56 GLU C C 56 175.105 174.685 0.420 1
1 613 . 7 1 1 A 56 56 GLU CA C 56 55.179 55.153 0.026 1
1 614 . 7 1 1 A 56 56 GLU CB C 56 33.097 33.550 -0.453 1
1 616 . 7 1 1 A 56 56 GLU N N 56 120.179 122.743 -2.564 1
1 617 . 7 1 1 A 57 57 VAL H H 57 8.385 8.891 -0.506 1
1 618 . 7 1 1 A 57 57 VAL HA H 57 5.238 4.702 0.536 1
1 626 . 7 1 1 A 57 57 VAL C C 57 175.238 175.792 -0.554 1
1 627 . 7 1 1 A 57 57 VAL CA C 57 61.064 62.199 -1.135 1
1 628 . 7 1 1 A 57 57 VAL CB C 57 33.429 32.076 1.353 1
1 631 . 7 1 1 A 57 57 VAL N N 57 122.535 127.694 -5.159 1
1 632 . 7 1 1 A 58 58 VAL H H 58 8.884 9.043 -0.159 1
1 633 . 7 1 1 A 58 58 VAL HA H 58 5.053 4.903 0.150 1
1 641 . 7 1 1 A 58 58 VAL C C 58 174.027 173.451 0.576 1
1 642 . 7 1 1 A 58 58 VAL CA C 58 57.977 57.951 0.026 1
1 643 . 7 1 1 A 58 58 VAL CB C 58 35.583 34.588 0.995 1
1 646 . 7 1 1 A 58 58 VAL N N 58 122.081 121.927 0.154 1
1 647 . 7 1 1 A 59 59 PRO HA H 59 4.573 4.912 -0.339 1
1 654 . 7 1 1 A 59 59 PRO C C 59 175.457 175.168 0.289 1
1 655 . 7 1 1 A 59 59 PRO CA C 59 63.643 62.326 1.317 1
1 656 . 7 1 1 A 59 59 PRO CB C 59 32.915 29.955 2.960 1
1 659 . 7 1 1 A 60 60 ASP H H 60 8.989 8.412 0.577 1
1 660 . 7 1 1 A 60 60 ASP HA H 60 5.179 5.319 -0.140 1
1 663 . 7 1 1 A 60 60 ASP C C 60 172.742 174.181 -1.439 1
1 664 . 7 1 1 A 60 60 ASP CA C 60 52.698 50.922 1.776 1
1 665 . 7 1 1 A 60 60 ASP CB C 60 43.314 41.354 1.960 1
1 666 . 7 1 1 A 60 60 ASP N N 60 122.718 123.855 -1.137 1
1 667 . 7 1 1 A 61 61 PRO HA H 61 4.681 5.054 -0.373 1
1 674 . 7 1 1 A 61 61 PRO C C 61 177.420 175.355 2.065 1
1 675 . 7 1 1 A 61 61 PRO CA C 61 63.594 62.541 1.053 1
1 676 . 7 1 1 A 61 61 PRO CB C 61 32.950 32.660 0.290 1
1 679 . 7 1 1 A 62 62 SER H H 62 7.803 8.186 -0.383 1
1 680 . 7 1 1 A 62 62 SER HA H 62 4.797 5.030 -0.233 1
1 683 . 7 1 1 A 62 62 SER C C 62 174.851 174.844 0.007 1
1 684 . 7 1 1 A 62 62 SER CA C 62 56.896 55.869 1.027 1
1 685 . 7 1 1 A 62 62 SER CB C 62 63.959 65.059 -1.100 1
1 686 . 7 1 1 A 62 62 SER N N 62 115.582 115.836 -0.254 1
1 687 . 7 1 1 A 63 63 PRO HA H 63 4.089 4.477 -0.388 1
1 694 . 7 1 1 A 63 63 PRO C C 63 177.105 176.243 0.862 1
1 695 . 7 1 1 A 63 63 PRO CA C 63 66.024 64.137 1.887 1
1 696 . 7 1 1 A 63 63 PRO CB C 63 31.763 31.517 0.246 1
1 699 . 7 1 1 A 64 64 ASP H H 64 8.361 8.247 0.114 1
1 700 . 7 1 1 A 64 64 ASP HA H 64 4.290 4.637 -0.347 1
1 703 . 7 1 1 A 64 64 ASP C C 64 174.802 175.305 -0.503 1
1 704 . 7 1 1 A 64 64 ASP CA C 64 54.458 54.276 0.182 1
1 705 . 7 1 1 A 64 64 ASP CB C 64 40.481 42.943 -2.462 1
1 706 . 7 1 1 A 64 64 ASP N N 64 111.867 117.201 -5.334 1
1 707 . 7 1 1 A 65 65 HIS H H 65 7.781 7.667 0.114 1
1 708 . 7 1 1 A 65 65 HIS HA H 65 4.558 4.660 -0.102 1
1 713 . 7 1 1 A 65 65 HIS C C 65 174.972 174.669 0.303 1
1 714 . 7 1 1 A 65 65 HIS CA C 65 54.370 54.361 0.009 1
1 715 . 7 1 1 A 65 65 HIS CB C 65 28.450 31.786 -3.336 1
1 718 . 7 1 1 A 65 65 HIS N N 65 120.793 116.366 4.427 1
1 719 . 7 1 1 A 66 66 LEU H H 66 8.206 8.249 -0.043 1
1 720 . 7 1 1 A 66 66 LEU HA H 66 3.893 4.137 -0.244 1
1 730 . 7 1 1 A 66 66 LEU C C 66 178.826 176.627 2.199 1
1 731 . 7 1 1 A 66 66 LEU CA C 66 57.857 55.241 2.616 1
1 732 . 7 1 1 A 66 66 LEU CB C 66 42.245 41.164 1.081 1
1 736 . 7 1 1 A 66 66 LEU N N 66 124.390 125.017 -0.627 1
1 737 . 7 1 1 A 67 67 TYR H H 67 8.612 7.789 0.823 1
1 738 . 7 1 1 A 67 67 TYR HA H 67 5.417 4.926 0.491 1
1 745 . 7 1 1 A 67 67 TYR C C 67 176.403 174.800 1.603 1
1 746 . 7 1 1 A 67 67 TYR CA C 67 55.320 57.089 -1.769 1
1 747 . 7 1 1 A 67 67 TYR CB C 67 35.524 37.657 -2.133 1
1 752 . 7 1 1 A 67 67 TYR N N 67 118.042 117.991 0.051 1
1 753 . 7 1 1 A 68 68 SER H H 68 6.652 7.837 -1.185 1
1 754 . 7 1 1 A 68 68 SER HA H 68 5.742 5.344 0.398 1
1 757 . 7 1 1 A 68 68 SER C C 68 174.827 173.585 1.242 1
1 758 . 7 1 1 A 68 68 SER CA C 68 56.147 56.588 -0.441 1
1 759 . 7 1 1 A 68 68 SER CB C 68 65.504 65.315 0.189 1
1 760 . 7 1 1 A 68 68 SER N N 68 111.076 113.118 -2.042 1
1 761 . 7 1 1 A 69 69 PHE H H 69 9.089 8.149 0.940 1
1 762 . 7 1 1 A 69 69 PHE HA H 69 5.212 5.805 -0.593 1
1 770 . 7 1 1 A 69 69 PHE C C 69 171.676 173.002 -1.326 1
1 771 . 7 1 1 A 69 69 PHE CA C 69 55.918 55.089 0.829 1
1 772 . 7 1 1 A 69 69 PHE CB C 69 41.034 42.457 -1.423 1
1 778 . 7 1 1 A 69 69 PHE N N 69 121.539 118.686 2.853 1
1 779 . 7 1 1 A 70 70 ARG H H 70 9.299 9.032 0.267 1
1 780 . 7 1 1 A 70 70 ARG HA H 70 5.333 5.158 0.175 1
1 787 . 7 1 1 A 70 70 ARG C C 70 174.197 174.439 -0.242 1
1 788 . 7 1 1 A 70 70 ARG CA C 70 54.198 54.102 0.096 1
1 789 . 7 1 1 A 70 70 ARG CB C 70 35.236 34.304 0.932 1
1 792 . 7 1 1 A 70 70 ARG N N 70 117.458 118.362 -0.904 1
1 794 . 7 1 1 A 71 71 ILE H H 71 8.505 8.891 -0.386 1
1 795 . 7 1 1 A 71 71 ILE HA H 71 4.974 5.496 -0.522 1
1 805 . 7 1 1 A 71 71 ILE C C 71 174.996 175.202 -0.206 1
1 806 . 7 1 1 A 71 71 ILE CA C 71 60.622 60.031 0.591 1
1 807 . 7 1 1 A 71 71 ILE CB C 71 39.636 40.765 -1.129 1
1 811 . 7 1 1 A 71 71 ILE N N 71 119.757 122.345 -2.588 1
1 812 . 7 1 1 A 72 72 LEU H H 72 9.488 9.050 0.438 1
1 813 . 7 1 1 A 72 72 LEU HA H 72 5.473 5.388 0.085 1
1 823 . 7 1 1 A 72 72 LEU C C 72 176.172 176.393 -0.221 1
1 824 . 7 1 1 A 72 72 LEU CA C 72 53.507 53.948 -0.441 1
1 825 . 7 1 1 A 72 72 LEU CB C 72 46.393 45.959 0.434 1
1 829 . 7 1 1 A 72 72 LEU N N 72 128.277 126.620 1.657 1
1 830 . 7 1 1 A 73 73 HIS H H 73 9.087 8.719 0.368 1
1 831 . 7 1 1 A 73 73 HIS HA H 73 4.888 4.591 0.297 1
1 836 . 7 1 1 A 73 73 HIS C C 73 175.118 175.826 -0.708 1
1 837 . 7 1 1 A 73 73 HIS CA C 73 56.675 58.344 -1.669 1
1 838 . 7 1 1 A 73 73 HIS CB C 73 32.933 31.079 1.854 1
1 841 . 7 1 1 A 73 73 HIS N N 73 119.084 123.017 -3.933 1
1 842 . 7 1 1 A 74 74 LYS H H 74 9.551 8.011 1.540 1
1 843 . 7 1 1 A 74 74 LYS HA H 74 3.763 4.286 -0.523 1
1 852 . 7 1 1 A 74 74 LYS C C 74 176.851 176.580 0.271 1
1 853 . 7 1 1 A 74 74 LYS CA C 74 56.969 55.106 1.863 1
1 854 . 7 1 1 A 74 74 LYS CB C 74 29.766 32.491 -2.725 1
1 858 . 7 1 1 A 74 74 LYS N N 74 128.764 117.157 11.607 1
1 859 . 7 1 1 A 75 75 GLY H H 75 8.877 8.059 0.818 1
1 860 . 7 1 1 A 75 75 GLY HA2 H 75 3.523 3.907 -0.384 1
1 861 . 7 1 1 A 75 75 GLY HA3 H 75 4.213 3.916 0.297 1
1 862 . 7 1 1 A 75 75 GLY C C 75 173.566 173.942 -0.376 1
1 863 . 7 1 1 A 75 75 GLY CA C 75 45.346 45.241 0.105 1
1 864 . 7 1 1 A 75 75 GLY N N 75 104.552 108.048 -3.496 1
1 865 . 7 1 1 A 76 76 GLU H H 76 7.922 7.937 -0.015 1
1 866 . 7 1 1 A 76 76 GLU HA H 76 4.491 4.747 -0.256 1
1 871 . 7 1 1 A 76 76 GLU C C 76 175.651 174.899 0.752 1
1 872 . 7 1 1 A 76 76 GLU CA C 76 54.721 55.172 -0.451 1
1 873 . 7 1 1 A 76 76 GLU CB C 76 31.187 32.078 -0.891 1
1 875 . 7 1 1 A 76 76 GLU N N 76 121.492 119.737 1.755 1
1 876 . 7 1 1 A 77 77 GLU H H 77 8.925 8.690 0.235 1
1 877 . 7 1 1 A 77 77 GLU HA H 77 4.309 4.939 -0.630 1
1 881 . 7 1 1 A 77 77 GLU C C 77 175.857 175.458 0.399 1
1 882 . 7 1 1 A 77 77 GLU CA C 77 57.412 55.118 2.294 1
1 883 . 7 1 1 A 77 77 GLU CB C 77 31.146 31.333 -0.187 1
1 885 . 7 1 1 A 77 77 GLU N N 77 125.541 121.384 4.157 1
1 886 . 7 1 1 A 78 78 LEU H H 78 9.475 9.032 0.443 1
1 887 . 7 1 1 A 78 78 LEU HA H 78 4.513 4.386 0.127 1
1 897 . 7 1 1 A 78 78 LEU C C 78 177.541 177.095 0.446 1
1 898 . 7 1 1 A 78 78 LEU CA C 78 55.443 56.130 -0.687 1
1 899 . 7 1 1 A 78 78 LEU CB C 78 43.776 42.476 1.300 1
1 903 . 7 1 1 A 78 78 LEU N N 78 128.715 129.025 -0.310 1
1 904 . 7 1 1 A 79 79 ALA H H 79 7.550 7.620 -0.070 1
1 905 . 7 1 1 A 79 79 ALA HA H 79 4.503 4.706 -0.203 1
1 909 . 7 1 1 A 79 79 ALA C C 79 174.342 174.941 -0.599 1
1 910 . 7 1 1 A 79 79 ALA CA C 79 51.906 51.581 0.325 1
1 911 . 7 1 1 A 79 79 ALA CB C 79 22.017 22.955 -0.938 1
1 912 . 7 1 1 A 79 79 ALA N N 79 116.317 116.954 -0.637 1
1 913 . 7 1 1 A 80 80 LYS H H 80 8.743 8.889 -0.146 1
1 914 . 7 1 1 A 80 80 LYS HA H 80 4.725 5.007 -0.282 1
1 923 . 7 1 1 A 80 80 LYS C C 80 172.973 174.990 -2.017 1
1 924 . 7 1 1 A 80 80 LYS CA C 80 56.604 54.841 1.763 1
1 925 . 7 1 1 A 80 80 LYS CB C 80 34.331 35.805 -1.474 1
1 929 . 7 1 1 A 80 80 LYS N N 80 123.623 121.187 2.436 1
1 930 . 7 1 1 A 81 81 LEU H H 81 8.504 8.700 -0.196 1
1 931 . 7 1 1 A 81 81 LEU HA H 81 5.531 5.549 -0.018 1
1 941 . 7 1 1 A 81 81 LEU C C 81 176.366 175.424 0.942 1
1 942 . 7 1 1 A 81 81 LEU CA C 81 53.665 52.884 0.781 1
1 943 . 7 1 1 A 81 81 LEU CB C 81 45.969 44.681 1.288 1
1 947 . 7 1 1 A 81 81 LEU N N 81 124.594 128.185 -3.591 1
1 948 . 7 1 1 A 82 82 GLU H H 82 9.018 8.178 0.840 1
1 949 . 7 1 1 A 82 82 GLU HA H 82 4.826 4.422 0.404 1
1 954 . 7 1 1 A 82 82 GLU C C 82 174.439 175.461 -1.022 1
1 955 . 7 1 1 A 82 82 GLU CA C 82 56.376 54.858 1.518 1
1 956 . 7 1 1 A 82 82 GLU CB C 82 32.852 32.476 0.376 1
1 958 . 7 1 1 A 82 82 GLU N N 82 118.819 121.007 -2.188 1
1 959 . 7 1 1 A 83 83 ALA H H 83 8.027 9.102 -1.075 1
1 960 . 7 1 1 A 83 83 ALA HA H 83 4.980 4.576 0.404 1
1 964 . 7 1 1 A 83 83 ALA C C 83 176.439 178.688 -2.249 1
1 965 . 7 1 1 A 83 83 ALA CA C 83 50.059 51.429 -1.370 1
1 966 . 7 1 1 A 83 83 ALA CB C 83 21.702 20.421 1.281 1
1 967 . 7 1 1 A 83 83 ALA N N 83 127.765 128.412 -0.647 1
1 968 . 7 1 1 A 84 84 LYS H H 84 9.017 8.637 0.380 1
1 969 . 7 1 1 A 84 84 LYS HA H 84 4.432 4.554 -0.122 1
1 977 . 7 1 1 A 84 84 LYS C C 84 175.930 176.088 -0.158 1
1 978 . 7 1 1 A 84 84 LYS CA C 84 56.956 56.623 0.333 1
1 979 . 7 1 1 A 84 84 LYS CB C 84 32.974 34.117 -1.143 1
1 983 . 7 1 1 A 84 84 LYS N N 84 115.456 116.578 -1.122 1
1 984 . 7 1 1 A 85 85 SER H H 85 7.324 7.711 -0.387 1
1 985 . 7 1 1 A 85 85 SER HA H 85 4.074 4.238 -0.164 1
1 988 . 7 1 1 A 85 85 SER C C 85 173.421 173.999 -0.578 1
1 989 . 7 1 1 A 85 85 SER CA C 85 56.038 55.709 0.329 1
1 990 . 7 1 1 A 85 85 SER CB C 85 66.506 64.931 1.575 1
1 991 . 7 1 1 A 85 85 SER N N 85 110.261 114.899 -4.638 1
1 992 . 7 1 1 A 86 86 SER H H 86 8.610 8.213 0.397 1
1 993 . 7 1 1 A 86 86 SER HA H 86 3.648 3.860 -0.212 1
1 996 . 7 1 1 A 86 86 SER C C 86 177.784 176.405 1.379 1
1 997 . 7 1 1 A 86 86 SER CA C 86 61.391 61.122 0.269 1
1 998 . 7 1 1 A 86 86 SER CB C 86 62.378 62.733 -0.355 1
1 999 . 7 1 1 A 86 86 SER N N 86 117.136 120.135 -2.999 1
1 1000 . 7 1 1 A 87 87 GLU H H 87 8.890 7.776 1.114 1
1 1001 . 7 1 1 A 87 87 GLU HA H 87 4.031 4.042 -0.011 1
1 1006 . 7 1 1 A 87 87 GLU C C 87 179.492 178.351 1.141 1
1 1007 . 7 1 1 A 87 87 GLU CA C 87 59.983 58.879 1.104 1
1 1008 . 7 1 1 A 87 87 GLU CB C 87 28.969 29.244 -0.275 1
1 1010 . 7 1 1 A 87 87 GLU N N 87 123.189 121.155 2.034 1
1 1011 . 7 1 1 A 88 88 GLU H H 88 8.015 8.057 -0.042 1
1 1012 . 7 1 1 A 88 88 GLU HA H 88 4.243 4.120 0.123 1
1 1017 . 7 1 1 A 88 88 GLU C C 88 178.472 178.865 -0.393 1
1 1018 . 7 1 1 A 88 88 GLU CA C 88 59.642 59.276 0.366 1
1 1019 . 7 1 1 A 88 88 GLU CB C 88 31.016 29.465 1.551 1
1 1021 . 7 1 1 A 88 88 GLU N N 88 121.015 119.806 1.209 1
1 1022 . 7 1 1 A 89 89 MET H H 89 8.334 8.418 -0.084 1
1 1023 . 7 1 1 A 89 89 MET HA H 89 3.843 4.274 -0.431 1
1 1030 . 7 1 1 A 89 89 MET C C 89 177.396 178.705 -1.309 1
1 1031 . 7 1 1 A 89 89 MET CA C 89 60.458 58.003 2.455 1
1 1032 . 7 1 1 A 89 89 MET CB C 89 32.481 32.441 0.040 1
1 1035 . 7 1 1 A 89 89 MET N N 89 119.764 118.915 0.849 1
1 1036 . 7 1 1 A 90 90 GLY H H 90 8.452 8.122 0.330 1
1 1037 . 7 1 1 A 90 90 GLY HA2 H 90 4.008 3.693 0.315 1
1 1038 . 7 1 1 A 90 90 GLY HA3 H 90 3.723 3.714 0.009 1
1 1039 . 7 1 1 A 90 90 GLY C C 90 176.814 175.467 1.347 1
1 1040 . 7 1 1 A 90 90 GLY CA C 90 47.489 46.809 0.680 1
1 1041 . 7 1 1 A 90 90 GLY N N 90 105.180 108.287 -3.107 1
1 1042 . 7 1 1 A 91 91 HIS H H 91 7.919 8.066 -0.147 1
1 1043 . 7 1 1 A 91 91 HIS HA H 91 4.329 4.144 0.185 1
1 1048 . 7 1 1 A 91 91 HIS C C 91 178.208 177.098 1.110 1
1 1049 . 7 1 1 A 91 91 HIS CA C 91 59.367 58.838 0.529 1
1 1050 . 7 1 1 A 91 91 HIS CB C 91 30.612 29.731 0.881 1
1 1053 . 7 1 1 A 91 91 HIS N N 91 121.929 121.221 0.708 1
1 1054 . 7 1 1 A 92 92 TRP H H 92 8.199 7.425 0.774 1
1 1055 . 7 1 1 A 92 92 TRP HA H 92 3.829 4.222 -0.393 1
1 1064 . 7 1 1 A 92 92 TRP C C 92 178.257 178.496 -0.239 1
1 1065 . 7 1 1 A 92 92 TRP CA C 92 62.464 59.799 2.665 1
1 1066 . 7 1 1 A 92 92 TRP CB C 92 29.190 29.868 -0.678 1
1 1072 . 7 1 1 A 92 92 TRP N N 92 120.070 118.039 2.031 1
1 1074 . 7 1 1 A 93 93 LEU H H 93 8.740 7.946 0.794 1
1 1075 . 7 1 1 A 93 93 LEU HA H 93 3.695 3.732 -0.037 1
1 1085 . 7 1 1 A 93 93 LEU C C 93 179.105 179.248 -0.143 1
1 1086 . 7 1 1 A 93 93 LEU CA C 93 59.076 58.268 0.808 1
1 1087 . 7 1 1 A 93 93 LEU CB C 93 40.993 41.665 -0.672 1
1 1091 . 7 1 1 A 93 93 LEU N N 93 119.445 119.927 -0.482 1
1 1092 . 7 1 1 A 94 94 GLY H H 94 7.616 8.074 -0.458 1
1 1093 . 7 1 1 A 94 94 GLY HA2 H 94 3.852 3.631 0.221 1
1 1094 . 7 1 1 A 94 94 GLY HA3 H 94 3.759 3.658 0.101 1
1 1095 . 7 1 1 A 94 94 GLY C C 94 176.693 175.417 1.276 1
1 1096 . 7 1 1 A 94 94 GLY CA C 94 47.120 47.272 -0.152 1
1 1097 . 7 1 1 A 94 94 GLY N N 94 102.951 105.481 -2.530 1
1 1098 . 7 1 1 A 95 95 LEU H H 95 7.853 8.026 -0.173 1
1 1099 . 7 1 1 A 95 95 LEU HA H 95 4.024 3.837 0.187 1
1 1109 . 7 1 1 A 95 95 LEU C C 95 179.589 178.413 1.176 1
1 1110 . 7 1 1 A 95 95 LEU CA C 95 57.678 57.417 0.261 1
1 1111 . 7 1 1 A 95 95 LEU CB C 95 42.533 41.128 1.405 1
1 1115 . 7 1 1 A 95 95 LEU N N 95 123.479 122.590 0.889 1
1 1116 . 7 1 1 A 96 96 LEU H H 96 8.649 8.532 0.117 1
1 1117 . 7 1 1 A 96 96 LEU HA H 96 3.971 4.084 -0.113 1
1 1127 . 7 1 1 A 96 96 LEU C C 96 179.068 179.299 -0.231 1
1 1128 . 7 1 1 A 96 96 LEU CA C 96 57.906 57.814 0.092 1
1 1129 . 7 1 1 A 96 96 LEU CB C 96 42.104 41.482 0.622 1
1 1133 . 7 1 1 A 96 96 LEU N N 96 118.046 118.412 -0.366 1
1 1134 . 7 1 1 A 97 97 LEU H H 97 8.198 8.285 -0.087 1
1 1135 . 7 1 1 A 97 97 LEU HA H 97 4.234 4.067 0.167 1
1 1145 . 7 1 1 A 97 97 LEU C C 97 180.177 178.968 1.209 1
1 1146 . 7 1 1 A 97 97 LEU CA C 97 57.361 58.050 -0.689 1
1 1147 . 7 1 1 A 97 97 LEU CB C 97 41.611 41.566 0.045 1
1 1151 . 7 1 1 A 97 97 LEU N N 97 118.670 119.545 -0.875 1
1 1152 . 7 1 1 A 98 98 SER H H 98 7.818 8.347 -0.529 1
1 1153 . 7 1 1 A 98 98 SER HA H 98 4.328 4.116 0.212 1
1 1156 . 7 1 1 A 98 98 SER C C 98 176.863 177.228 -0.365 1
1 1157 . 7 1 1 A 98 98 SER CA C 98 61.004 61.161 -0.157 1
1 1158 . 7 1 1 A 98 98 SER CB C 98 63.322 62.515 0.807 1
1 1159 . 7 1 1 A 98 98 SER N N 98 115.679 112.898 2.781 1
1 1160 . 7 1 1 A 99 99 GLU H H 99 8.003 7.693 0.310 1
1 1161 . 7 1 1 A 99 99 GLU HA H 99 4.193 4.091 0.102 1
1 1166 . 7 1 1 A 99 99 GLU C C 99 177.226 178.029 -0.803 1
1 1167 . 7 1 1 A 99 99 GLU CA C 99 57.449 59.212 -1.763 1
1 1168 . 7 1 1 A 99 99 GLU CB C 99 30.260 29.391 0.869 1
1 1170 . 7 1 1 A 99 99 GLU N N 99 120.518 122.561 -2.043 1
1 1171 . 7 1 1 A 100 100 SER H H 100 7.892 8.357 -0.465 1
1 1172 . 7 1 1 A 100 100 SER HA H 100 4.582 4.405 0.177 1
1 1175 . 7 1 1 A 100 100 SER C C 100 175.881 174.111 1.770 1
1 1176 . 7 1 1 A 100 100 SER CA C 100 59.561 57.708 1.853 1
1 1177 . 7 1 1 A 100 100 SER CB C 100 64.188 62.717 1.471 1
1 1178 . 7 1 1 A 100 100 SER N N 100 113.686 111.940 1.746 1
1 1179 . 7 1 1 A 101 101 GLY H H 101 7.861 7.567 0.294 1
1 1180 . 7 1 1 A 101 101 GLY HA2 H 101 4.114 4.119 -0.005 1
1 1181 . 7 1 1 A 101 101 GLY HA3 H 101 4.063 4.123 -0.060 1
1 1182 . 7 1 1 A 101 101 GLY C C 101 174.076 172.269 1.807 1
1 1183 . 7 1 1 A 101 101 GLY CA C 101 45.501 45.534 -0.033 1
1 1184 . 7 1 1 A 101 101 GLY N N 101 109.148 110.081 -0.933 1
1 1185 . 7 1 1 A 102 102 SER H H 102 8.260 8.786 -0.526 1
1 1186 . 7 1 1 A 102 102 SER HA H 102 4.543 4.591 -0.048 1
1 1189 . 7 1 1 A 102 102 SER C C 102 174.851 175.046 -0.195 1
1 1190 . 7 1 1 A 102 102 SER CA C 102 58.646 58.874 -0.228 1
1 1191 . 7 1 1 A 102 102 SER CB C 102 64.211 63.492 0.719 1
1 1192 . 7 1 1 A 102 102 SER N N 102 116.298 119.425 -3.127 1
1 1193 . 7 1 1 A 103 103 GLY H H 103 8.252 8.726 -0.474 1
1 1194 . 7 1 1 A 103 103 GLY HA2 H 103 4.173 4.039 0.134 1
1 1195 . 7 1 1 A 103 103 GLY HA3 H 103 4.074 4.041 0.033 1
1 1196 . 7 1 1 A 103 103 GLY C C 103 171.773 174.304 -2.531 1
1 1197 . 7 1 1 A 103 103 GLY CA C 103 44.777 46.345 -1.568 1
1 1198 . 7 1 1 A 103 103 GLY N N 103 110.162 114.785 -4.623 1
1 1199 . 7 1 1 A 104 104 PRO HA H 104 4.515 4.621 -0.106 1
1 1206 . 7 1 1 A 104 104 PRO CA C 104 63.224 62.678 0.546 1
1 1207 . 7 1 1 A 104 104 PRO CB C 104 32.174 33.142 -0.968 1
1 1210 . 7 1 1 A 105 105 SER H H 105 8.559 8.390 0.169 1
1 1211 . 7 1 1 A 105 105 SER CA C 105 60.998 56.465 4.533 1
1 1212 . 7 1 1 A 105 105 SER CB C 105 63.768 66.262 -2.494 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.952 4.106 -0.154 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.952 4.127 -0.175 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.197 174.141 0.056 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.378 45.474 -0.096 1
1 5 . 8 1 1 A 8 8 LEU H H 8 8.030 7.809 0.221 1
1 6 . 8 1 1 A 8 8 LEU HA H 8 4.321 4.824 -0.503 1
1 16 . 8 1 1 A 8 8 LEU C C 8 177.468 176.064 1.404 1
1 17 . 8 1 1 A 8 8 LEU CA C 8 55.320 53.438 1.882 1
1 18 . 8 1 1 A 8 8 LEU CB C 8 42.556 44.738 -2.182 1
1 22 . 8 1 1 A 8 8 LEU N N 8 121.494 122.385 -0.891 1
1 23 . 8 1 1 A 9 9 GLU H H 9 8.577 8.807 -0.230 1
1 24 . 8 1 1 A 9 9 GLU HA H 9 4.454 4.356 0.098 1
1 29 . 8 1 1 A 9 9 GLU C C 9 177.056 177.850 -0.794 1
1 30 . 8 1 1 A 9 9 GLU CA C 9 56.956 56.447 0.509 1
1 31 . 8 1 1 A 9 9 GLU CB C 9 30.237 30.761 -0.524 1
1 33 . 8 1 1 A 9 9 GLU N N 9 121.449 126.896 -5.447 1
1 34 . 8 1 1 A 10 10 THR H H 10 8.189 8.596 -0.407 1
1 35 . 8 1 1 A 10 10 THR HA H 10 4.323 3.830 0.493 1
1 40 . 8 1 1 A 10 10 THR CA C 10 62.062 65.533 -3.471 1
1 41 . 8 1 1 A 10 10 THR CB C 10 69.441 68.409 1.032 1
1 43 . 8 1 1 A 10 10 THR N N 10 113.730 116.401 -2.671 1
1 44 . 8 1 1 A 11 11 SER H H 11 7.883 7.873 0.010 1
1 45 . 8 1 1 A 11 11 SER HA H 11 5.249 4.715 0.534 1
1 48 . 8 1 1 A 11 11 SER CA C 11 57.852 59.069 -1.217 1
1 49 . 8 1 1 A 11 11 SER CB C 11 65.426 63.022 2.404 1
1 50 . 8 1 1 A 12 12 SER H H 12 8.413 8.500 -0.087 1
1 51 . 8 1 1 A 12 12 SER HA H 12 4.467 5.035 -0.568 1
1 54 . 8 1 1 A 12 12 SER CA C 12 58.741 56.423 2.318 1
1 55 . 8 1 1 A 12 12 SER CB C 12 65.239 65.631 -0.392 1
1 56 . 8 1 1 A 12 12 SER N N 12 116.995 120.433 -3.438 1
1 57 . 8 1 1 A 13 13 TYR H H 13 8.156 8.459 -0.303 1
1 58 . 8 1 1 A 13 13 TYR HA H 13 4.936 4.514 0.422 1
1 65 . 8 1 1 A 13 13 TYR CA C 13 58.533 57.548 0.985 1
1 68 . 8 1 1 A 13 13 TYR N N 13 121.972 126.973 -5.001 1
1 69 . 8 1 1 A 14 14 LEU H H 14 8.803 8.830 -0.027 1
1 70 . 8 1 1 A 14 14 LEU HA H 14 4.573 4.789 -0.216 1
1 80 . 8 1 1 A 14 14 LEU C C 14 175.845 176.100 -0.255 1
1 81 . 8 1 1 A 14 14 LEU CA C 14 54.141 53.174 0.967 1
1 82 . 8 1 1 A 14 14 LEU CB C 14 46.603 43.242 3.361 1
1 86 . 8 1 1 A 14 14 LEU N N 14 123.967 126.543 -2.576 1
1 87 . 8 1 1 A 15 15 ASN H H 15 8.090 8.317 -0.227 1
1 88 . 8 1 1 A 15 15 ASN HA H 15 5.669 5.103 0.566 1
1 93 . 8 1 1 A 15 15 ASN C C 15 174.972 174.300 0.672 1
1 94 . 8 1 1 A 15 15 ASN CA C 15 51.589 53.079 -1.490 1
1 95 . 8 1 1 A 15 15 ASN CB C 15 40.317 39.172 1.145 1
1 96 . 8 1 1 A 15 15 ASN N N 15 117.248 120.519 -3.271 1
1 98 . 8 1 1 A 16 16 VAL H H 16 9.452 8.410 1.042 1
1 99 . 8 1 1 A 16 16 VAL HA H 16 4.743 4.635 0.108 1
1 107 . 8 1 1 A 16 16 VAL C C 16 174.269 176.422 -2.153 1
1 108 . 8 1 1 A 16 16 VAL CA C 16 60.574 61.956 -1.382 1
1 109 . 8 1 1 A 16 16 VAL CB C 16 35.194 32.217 2.977 1
1 112 . 8 1 1 A 16 16 VAL N N 16 122.909 125.486 -2.577 1
1 113 . 8 1 1 A 17 17 LEU H H 17 7.892 8.676 -0.784 1
1 114 . 8 1 1 A 17 17 LEU HA H 17 3.679 3.821 -0.142 1
1 124 . 8 1 1 A 17 17 LEU C C 17 175.747 175.118 0.629 1
1 125 . 8 1 1 A 17 17 LEU CA C 17 54.493 56.189 -1.696 1
1 126 . 8 1 1 A 17 17 LEU CB C 17 40.541 41.557 -1.016 1
1 130 . 8 1 1 A 17 17 LEU N N 17 130.093 131.323 -1.230 1
1 131 . 8 1 1 A 18 18 VAL H H 18 8.923 8.784 0.139 1
1 132 . 8 1 1 A 18 18 VAL HA H 18 4.053 4.306 -0.253 1
1 140 . 8 1 1 A 18 18 VAL C C 18 175.869 175.762 0.107 1
1 141 . 8 1 1 A 18 18 VAL CA C 18 61.285 61.105 0.180 1
1 142 . 8 1 1 A 18 18 VAL CB C 18 33.609 34.347 -0.738 1
1 145 . 8 1 1 A 18 18 VAL N N 18 130.417 128.176 2.241 1
1 146 . 8 1 1 A 19 19 ASN H H 19 9.323 9.371 -0.048 1
1 147 . 8 1 1 A 19 19 ASN HA H 19 4.232 4.314 -0.082 1
1 152 . 8 1 1 A 19 19 ASN C C 19 174.948 174.455 0.493 1
1 153 . 8 1 1 A 19 19 ASN CA C 19 54.809 54.577 0.232 1
1 154 . 8 1 1 A 19 19 ASN CB C 19 37.192 36.721 0.471 1
1 155 . 8 1 1 A 19 19 ASN N N 19 127.579 127.683 -0.104 1
1 157 . 8 1 1 A 20 20 SER H H 20 8.464 8.425 0.039 1
1 158 . 8 1 1 A 20 20 SER HA H 20 3.653 3.876 -0.223 1
1 161 . 8 1 1 A 20 20 SER C C 20 172.645 172.932 -0.287 1
1 162 . 8 1 1 A 20 20 SER CA C 20 60.458 59.688 0.770 1
1 163 . 8 1 1 A 20 20 SER CB C 20 62.584 61.679 0.905 1
1 164 . 8 1 1 A 20 20 SER N N 20 106.869 106.015 0.854 1
1 165 . 8 1 1 A 21 21 GLN H H 21 7.695 7.688 0.007 1
1 166 . 8 1 1 A 21 21 GLN HA H 21 4.591 4.641 -0.050 1
1 173 . 8 1 1 A 21 21 GLN C C 21 174.003 174.558 -0.555 1
1 174 . 8 1 1 A 21 21 GLN CA C 21 53.772 54.215 -0.443 1
1 175 . 8 1 1 A 21 21 GLN CB C 21 32.069 31.851 0.218 1
1 177 . 8 1 1 A 21 21 GLN N N 21 120.372 118.279 2.093 1
1 179 . 8 1 1 A 22 22 TRP H H 22 8.743 8.682 0.061 1
1 180 . 8 1 1 A 22 22 TRP HA H 22 4.690 4.792 -0.102 1
1 189 . 8 1 1 A 22 22 TRP C C 22 176.863 176.671 0.192 1
1 190 . 8 1 1 A 22 22 TRP CA C 22 57.062 58.164 -1.102 1
1 191 . 8 1 1 A 22 22 TRP CB C 22 29.323 29.775 -0.452 1
1 197 . 8 1 1 A 22 22 TRP N N 22 124.919 123.590 1.329 1
1 199 . 8 1 1 A 23 23 LYS H H 23 9.302 9.002 0.300 1
1 200 . 8 1 1 A 23 23 LYS HA H 23 4.798 4.816 -0.018 1
1 208 . 8 1 1 A 23 23 LYS C C 23 176.050 176.112 -0.062 1
1 209 . 8 1 1 A 23 23 LYS CA C 23 54.106 54.543 -0.437 1
1 210 . 8 1 1 A 23 23 LYS CB C 23 35.583 35.716 -0.133 1
1 214 . 8 1 1 A 23 23 LYS N N 23 124.474 124.822 -0.348 1
1 215 . 8 1 1 A 24 24 SER H H 24 8.740 8.772 -0.032 1
1 216 . 8 1 1 A 24 24 SER HA H 24 5.035 4.556 0.479 1
1 219 . 8 1 1 A 24 24 SER C C 24 175.905 173.924 1.981 1
1 220 . 8 1 1 A 24 24 SER CA C 24 58.857 58.990 -0.133 1
1 221 . 8 1 1 A 24 24 SER CB C 24 63.489 63.245 0.244 1
1 222 . 8 1 1 A 24 24 SER N N 24 118.568 120.004 -1.436 1
1 223 . 8 1 1 A 25 25 ARG H H 25 9.302 8.535 0.767 1
1 224 . 8 1 1 A 25 25 ARG HA H 25 4.946 5.149 -0.203 1
1 231 . 8 1 1 A 25 25 ARG C C 25 173.724 174.560 -0.836 1
1 232 . 8 1 1 A 25 25 ARG CA C 25 54.440 54.538 -0.098 1
1 233 . 8 1 1 A 25 25 ARG CB C 25 34.825 34.160 0.665 1
1 236 . 8 1 1 A 25 25 ARG N N 25 126.895 125.387 1.508 1
1 237 . 8 1 1 A 26 26 TRP H H 26 8.668 8.973 -0.305 1
1 238 . 8 1 1 A 26 26 TRP HA H 26 4.780 5.151 -0.371 1
1 247 . 8 1 1 A 26 26 TRP C C 26 175.796 174.986 0.810 1
1 248 . 8 1 1 A 26 26 TRP CA C 26 57.555 55.995 1.560 1
1 249 . 8 1 1 A 26 26 TRP CB C 26 29.833 30.258 -0.425 1
1 255 . 8 1 1 A 26 26 TRP N N 26 123.493 127.633 -4.140 1
1 257 . 8 1 1 A 27 27 CYS H H 27 8.884 8.876 0.008 1
1 258 . 8 1 1 A 27 27 CYS HA H 27 5.668 4.968 0.700 1
1 261 . 8 1 1 A 27 27 CYS C C 27 174.560 174.669 -0.109 1
1 262 . 8 1 1 A 27 27 CYS CA C 27 58.184 58.121 0.063 1
1 263 . 8 1 1 A 27 27 CYS CB C 27 31.516 28.241 3.275 1
1 264 . 8 1 1 A 27 27 CYS N N 27 124.947 127.816 -2.869 1
1 265 . 8 1 1 A 28 28 SER H H 28 8.566 8.858 -0.292 1
1 266 . 8 1 1 A 28 28 SER HA H 28 5.240 5.290 -0.050 1
1 269 . 8 1 1 A 28 28 SER C C 28 173.106 173.029 0.077 1
1 270 . 8 1 1 A 28 28 SER CA C 28 57.027 57.057 -0.030 1
1 271 . 8 1 1 A 28 28 SER CB C 28 66.738 65.681 1.057 1
1 272 . 8 1 1 A 28 28 SER N N 28 114.751 119.930 -5.179 1
1 273 . 8 1 1 A 29 29 VAL H H 29 8.843 9.167 -0.324 1
1 274 . 8 1 1 A 29 29 VAL HA H 29 5.302 4.917 0.385 1
1 282 . 8 1 1 A 29 29 VAL C C 29 175.905 175.539 0.366 1
1 283 . 8 1 1 A 29 29 VAL CA C 29 61.233 61.903 -0.670 1
1 284 . 8 1 1 A 29 29 VAL CB C 29 32.832 32.417 0.415 1
1 287 . 8 1 1 A 29 29 VAL N N 29 125.688 127.458 -1.770 1
1 288 . 8 1 1 A 30 30 ARG H H 30 8.964 9.372 -0.408 1
1 289 . 8 1 1 A 30 30 ARG HA H 30 4.620 4.588 0.032 1
1 295 . 8 1 1 A 30 30 ARG C C 30 176.160 175.227 0.933 1
1 296 . 8 1 1 A 30 30 ARG CA C 30 55.901 55.770 0.131 1
1 297 . 8 1 1 A 30 30 ARG CB C 30 33.198 33.487 -0.289 1
1 300 . 8 1 1 A 30 30 ARG N N 30 125.513 125.674 -0.161 1
1 301 . 8 1 1 A 31 31 ASP H H 31 9.773 9.622 0.151 1
1 302 . 8 1 1 A 31 31 ASP HA H 31 4.451 4.326 0.125 1
1 305 . 8 1 1 A 31 31 ASP C C 31 177.008 175.258 1.750 1
1 306 . 8 1 1 A 31 31 ASP CA C 31 55.936 55.198 0.738 1
1 307 . 8 1 1 A 31 31 ASP CB C 31 39.659 39.646 0.013 1
1 308 . 8 1 1 A 31 31 ASP N N 31 127.085 125.530 1.555 1
1 309 . 8 1 1 A 32 32 ASN H H 32 9.639 8.654 0.985 1
1 310 . 8 1 1 A 32 32 ASN HA H 32 4.535 4.296 0.239 1
1 315 . 8 1 1 A 32 32 ASN C C 32 172.766 173.832 -1.066 1
1 316 . 8 1 1 A 32 32 ASN CA C 32 55.549 54.628 0.921 1
1 317 . 8 1 1 A 32 32 ASN CB C 32 38.238 37.033 1.205 1
1 318 . 8 1 1 A 32 32 ASN N N 32 112.101 109.242 2.859 1
1 320 . 8 1 1 A 33 33 HIS H H 33 8.292 8.079 0.213 1
1 321 . 8 1 1 A 33 33 HIS HA H 33 5.368 5.296 0.072 1
1 326 . 8 1 1 A 33 33 HIS C C 33 172.718 173.435 -0.717 1
1 327 . 8 1 1 A 33 33 HIS CA C 33 55.303 54.613 0.690 1
1 328 . 8 1 1 A 33 33 HIS CB C 33 32.851 34.064 -1.213 1
1 331 . 8 1 1 A 33 33 HIS N N 33 116.294 116.312 -0.018 1
1 332 . 8 1 1 A 34 34 LEU H H 34 8.987 8.738 0.249 1
1 333 . 8 1 1 A 34 34 LEU HA H 34 4.784 4.887 -0.103 1
1 342 . 8 1 1 A 34 34 LEU C C 34 173.240 175.164 -1.924 1
1 343 . 8 1 1 A 34 34 LEU CA C 34 53.719 53.592 0.127 1
1 344 . 8 1 1 A 34 34 LEU CB C 34 45.147 43.700 1.447 1
1 348 . 8 1 1 A 34 34 LEU N N 34 122.961 125.181 -2.220 1
1 349 . 8 1 1 A 35 35 HIS H H 35 9.169 9.261 -0.092 1
1 350 . 8 1 1 A 35 35 HIS HA H 35 4.713 4.980 -0.267 1
1 355 . 8 1 1 A 35 35 HIS C C 35 174.778 174.842 -0.064 1
1 356 . 8 1 1 A 35 35 HIS CA C 35 55.284 56.109 -0.825 1
1 357 . 8 1 1 A 35 35 HIS CB C 35 34.455 31.575 2.880 1
1 360 . 8 1 1 A 35 35 HIS N N 35 125.201 126.063 -0.862 1
1 361 . 8 1 1 A 36 36 PHE H H 36 9.522 8.854 0.668 1
1 362 . 8 1 1 A 36 36 PHE HA H 36 5.014 5.098 -0.084 1
1 370 . 8 1 1 A 36 36 PHE C C 36 174.911 174.084 0.827 1
1 371 . 8 1 1 A 36 36 PHE CA C 36 56.217 56.332 -0.115 1
1 372 . 8 1 1 A 36 36 PHE CB C 36 43.666 41.838 1.828 1
1 378 . 8 1 1 A 36 36 PHE N N 36 118.294 118.273 0.021 1
1 379 . 8 1 1 A 37 37 TYR H H 37 9.783 9.045 0.738 1
1 380 . 8 1 1 A 37 37 TYR HA H 37 5.453 5.014 0.439 1
1 387 . 8 1 1 A 37 37 TYR C C 37 176.475 176.027 0.448 1
1 388 . 8 1 1 A 37 37 TYR CA C 37 57.185 57.010 0.175 1
1 389 . 8 1 1 A 37 37 TYR CB C 37 41.569 43.279 -1.710 1
1 394 . 8 1 1 A 37 37 TYR N N 37 121.241 121.498 -0.257 1
1 395 . 8 1 1 A 38 38 GLN H H 38 9.233 9.113 0.120 1
1 396 . 8 1 1 A 38 38 GLN HA H 38 4.480 4.648 -0.168 1
1 403 . 8 1 1 A 38 38 GLN C C 38 175.408 175.872 -0.464 1
1 404 . 8 1 1 A 38 38 GLN CA C 38 57.977 57.651 0.326 1
1 405 . 8 1 1 A 38 38 GLN CB C 38 29.825 30.718 -0.893 1
1 407 . 8 1 1 A 38 38 GLN N N 38 119.348 120.131 -0.783 1
1 409 . 8 1 1 A 39 39 ASP H H 39 8.674 7.833 0.841 1
1 410 . 8 1 1 A 39 39 ASP HA H 39 4.849 5.322 -0.473 1
1 413 . 8 1 1 A 39 39 ASP CA C 39 52.402 52.753 -0.351 1
1 414 . 8 1 1 A 39 39 ASP CB C 39 43.525 44.637 -1.112 1
1 415 . 8 1 1 A 40 40 ARG H H 40 7.823 8.721 -0.898 1
1 416 . 8 1 1 A 40 40 ARG HA H 40 2.342 3.419 -1.077 1
1 423 . 8 1 1 A 40 40 ARG CA C 40 57.183 58.816 -1.633 1
1 424 . 8 1 1 A 40 40 ARG CB C 40 29.300 29.526 -0.226 1
1 427 . 8 1 1 A 40 40 ARG N N 40 119.412 120.913 -1.501 1
1 428 . 8 1 1 A 41 41 ASN H H 41 7.601 8.421 -0.820 1
1 429 . 8 1 1 A 41 41 ASN HA H 41 4.408 4.503 -0.095 1
1 434 . 8 1 1 A 41 41 ASN C C 41 174.584 175.088 -0.504 1
1 435 . 8 1 1 A 41 41 ASN CA C 41 53.396 52.742 0.654 1
1 436 . 8 1 1 A 41 41 ASN CB C 41 37.847 37.368 0.479 1
1 437 . 8 1 1 A 41 41 ASN N N 41 114.895 115.700 -0.805 1
1 439 . 8 1 1 A 42 42 ARG H H 42 7.927 8.236 -0.309 1
1 440 . 8 1 1 A 42 42 ARG HA H 42 3.271 3.895 -0.624 1
1 446 . 8 1 1 A 42 42 ARG CA C 42 57.164 60.014 -2.850 1
1 449 . 8 1 1 A 42 42 ARG N N 42 115.263 123.665 -8.402 1
1 450 . 8 1 1 A 43 43 SER H H 43 9.112 8.279 0.833 1
1 451 . 8 1 1 A 43 43 SER HA H 43 4.444 4.188 0.256 1
1 454 . 8 1 1 A 43 43 SER CA C 43 59.742 62.261 -2.519 1
1 455 . 8 1 1 A 43 43 SER CB C 43 64.693 63.144 1.549 1
1 456 . 8 1 1 A 43 43 SER N N 43 115.094 117.199 -2.105 1
1 457 . 8 1 1 A 44 44 LYS H H 44 8.543 7.964 0.579 1
1 458 . 8 1 1 A 44 44 LYS HA H 44 4.784 4.371 0.413 1
1 464 . 8 1 1 A 44 44 LYS C C 44 175.723 175.502 0.221 1
1 465 . 8 1 1 A 44 44 LYS CA C 44 55.091 55.379 -0.288 1
1 466 . 8 1 1 A 44 44 LYS CB C 44 34.642 30.720 3.922 1
1 470 . 8 1 1 A 45 45 VAL H H 45 8.965 7.436 1.529 1
1 471 . 8 1 1 A 45 45 VAL HA H 45 4.043 4.032 0.011 1
1 479 . 8 1 1 A 45 45 VAL C C 45 176.656 177.003 -0.347 1
1 480 . 8 1 1 A 45 45 VAL CA C 45 63.883 63.911 -0.028 1
1 481 . 8 1 1 A 45 45 VAL CB C 45 32.621 32.153 0.468 1
1 484 . 8 1 1 A 45 45 VAL N N 45 127.663 123.526 4.137 1
1 485 . 8 1 1 A 46 46 ALA H H 46 9.214 8.738 0.476 1
1 486 . 8 1 1 A 46 46 ALA HA H 46 4.523 4.235 0.288 1
1 490 . 8 1 1 A 46 46 ALA C C 46 176.560 177.343 -0.783 1
1 491 . 8 1 1 A 46 46 ALA CA C 46 52.610 53.979 -1.369 1
1 492 . 8 1 1 A 46 46 ALA CB C 46 20.929 19.575 1.354 1
1 493 . 8 1 1 A 46 46 ALA N N 46 129.165 128.893 0.272 1
1 494 . 8 1 1 A 47 47 GLN H H 47 7.504 7.137 0.367 1
1 495 . 8 1 1 A 47 47 GLN HA H 47 4.494 4.539 -0.045 1
1 502 . 8 1 1 A 47 47 GLN C C 47 173.057 173.703 -0.646 1
1 503 . 8 1 1 A 47 47 GLN CA C 47 54.458 54.876 -0.418 1
1 504 . 8 1 1 A 47 47 GLN CB C 47 30.918 30.427 0.491 1
1 506 . 8 1 1 A 47 47 GLN N N 47 112.591 111.253 1.338 1
1 508 . 8 1 1 A 48 48 GLN H H 48 8.541 8.462 0.079 1
1 509 . 8 1 1 A 48 48 GLN HA H 48 4.420 4.229 0.191 1
1 516 . 8 1 1 A 48 48 GLN C C 48 172.864 174.507 -1.643 1
1 517 . 8 1 1 A 48 48 GLN CA C 48 54.774 54.103 0.671 1
1 518 . 8 1 1 A 48 48 GLN CB C 48 28.017 29.359 -1.342 1
1 520 . 8 1 1 A 48 48 GLN N N 48 120.933 121.110 -0.177 1
1 522 . 8 1 1 A 49 49 PRO HA H 49 4.963 4.716 0.247 1
1 529 . 8 1 1 A 49 49 PRO C C 49 177.105 175.365 1.740 1
1 530 . 8 1 1 A 49 49 PRO CA C 49 63.010 62.316 0.694 1
1 531 . 8 1 1 A 49 49 PRO CB C 49 32.625 32.635 -0.010 1
1 534 . 8 1 1 A 50 50 LEU H H 50 8.937 8.567 0.370 1
1 535 . 8 1 1 A 50 50 LEU HA H 50 4.742 5.067 -0.325 1
1 545 . 8 1 1 A 50 50 LEU C C 50 176.147 175.323 0.824 1
1 546 . 8 1 1 A 50 50 LEU CA C 50 53.120 53.246 -0.126 1
1 547 . 8 1 1 A 50 50 LEU CB C 50 45.352 45.539 -0.187 1
1 551 . 8 1 1 A 50 50 LEU N N 50 121.454 122.090 -0.636 1
1 552 . 8 1 1 A 51 51 SER H H 51 8.771 8.591 0.180 1
1 553 . 8 1 1 A 51 51 SER HA H 51 3.434 4.199 -0.765 1
1 556 . 8 1 1 A 51 51 SER C C 51 175.081 174.546 0.535 1
1 557 . 8 1 1 A 51 51 SER CA C 51 57.936 56.913 1.023 1
1 558 . 8 1 1 A 51 51 SER CB C 51 62.378 62.594 -0.216 1
1 559 . 8 1 1 A 51 51 SER N N 51 120.178 117.168 3.010 1
1 560 . 8 1 1 A 52 52 LEU H H 52 8.045 7.870 0.175 1
1 561 . 8 1 1 A 52 52 LEU HA H 52 4.443 3.884 0.559 1
1 571 . 8 1 1 A 52 52 LEU C C 52 177.916 177.714 0.202 1
1 572 . 8 1 1 A 52 52 LEU CA C 52 55.105 57.819 -2.714 1
1 573 . 8 1 1 A 52 52 LEU CB C 52 42.762 41.470 1.292 1
1 577 . 8 1 1 A 52 52 LEU N N 52 125.348 127.920 -2.572 1
1 578 . 8 1 1 A 53 53 VAL H H 53 7.418 7.454 -0.036 1
1 579 . 8 1 1 A 53 53 VAL HA H 53 3.841 3.837 0.004 1
1 587 . 8 1 1 A 53 53 VAL C C 53 178.123 176.976 1.147 1
1 588 . 8 1 1 A 53 53 VAL CA C 53 64.893 64.557 0.336 1
1 589 . 8 1 1 A 53 53 VAL CB C 53 30.973 31.010 -0.037 1
1 592 . 8 1 1 A 53 53 VAL N N 53 119.590 118.077 1.513 1
1 593 . 8 1 1 A 54 54 GLY H H 54 9.187 8.503 0.684 1
1 594 . 8 1 1 A 54 54 GLY HA2 H 54 4.292 4.074 0.218 1
1 595 . 8 1 1 A 54 54 GLY HA3 H 54 3.934 4.085 -0.151 1
1 596 . 8 1 1 A 54 54 GLY C C 54 175.275 175.100 0.175 1
1 597 . 8 1 1 A 54 54 GLY CA C 54 45.906 45.246 0.660 1
1 598 . 8 1 1 A 54 54 GLY N N 54 115.764 114.888 0.876 1
1 599 . 8 1 1 A 55 55 CYS H H 55 7.871 8.288 -0.417 1
1 600 . 8 1 1 A 55 55 CYS HA H 55 5.052 4.742 0.310 1
1 603 . 8 1 1 A 55 55 CYS C C 55 174.112 173.390 0.722 1
1 604 . 8 1 1 A 55 55 CYS CA C 55 60.352 59.205 1.147 1
1 605 . 8 1 1 A 55 55 CYS CB C 55 28.779 29.668 -0.889 1
1 606 . 8 1 1 A 55 55 CYS N N 55 117.748 120.187 -2.439 1
1 607 . 8 1 1 A 56 56 GLU H H 56 9.140 8.738 0.402 1
1 608 . 8 1 1 A 56 56 GLU HA H 56 4.672 4.873 -0.201 1
1 612 . 8 1 1 A 56 56 GLU C C 56 175.105 174.590 0.515 1
1 613 . 8 1 1 A 56 56 GLU CA C 56 55.179 55.260 -0.081 1
1 614 . 8 1 1 A 56 56 GLU CB C 56 33.097 33.607 -0.510 1
1 616 . 8 1 1 A 56 56 GLU N N 56 120.179 122.132 -1.953 1
1 617 . 8 1 1 A 57 57 VAL H H 57 8.385 8.889 -0.504 1
1 618 . 8 1 1 A 57 57 VAL HA H 57 5.238 4.736 0.502 1
1 626 . 8 1 1 A 57 57 VAL C C 57 175.238 175.795 -0.557 1
1 627 . 8 1 1 A 57 57 VAL CA C 57 61.064 62.193 -1.129 1
1 628 . 8 1 1 A 57 57 VAL CB C 57 33.429 32.010 1.419 1
1 631 . 8 1 1 A 57 57 VAL N N 57 122.535 127.723 -5.188 1
1 632 . 8 1 1 A 58 58 VAL H H 58 8.884 9.105 -0.221 1
1 633 . 8 1 1 A 58 58 VAL HA H 58 5.053 4.915 0.138 1
1 641 . 8 1 1 A 58 58 VAL C C 58 174.027 173.341 0.686 1
1 642 . 8 1 1 A 58 58 VAL CA C 58 57.977 57.945 0.032 1
1 643 . 8 1 1 A 58 58 VAL CB C 58 35.583 34.590 0.993 1
1 646 . 8 1 1 A 58 58 VAL N N 58 122.081 122.071 0.010 1
1 647 . 8 1 1 A 59 59 PRO HA H 59 4.573 4.909 -0.336 1
1 654 . 8 1 1 A 59 59 PRO C C 59 175.457 175.177 0.280 1
1 655 . 8 1 1 A 59 59 PRO CA C 59 63.643 62.382 1.261 1
1 656 . 8 1 1 A 59 59 PRO CB C 59 32.915 29.993 2.922 1
1 659 . 8 1 1 A 60 60 ASP H H 60 8.989 8.389 0.600 1
1 660 . 8 1 1 A 60 60 ASP HA H 60 5.179 5.293 -0.114 1
1 663 . 8 1 1 A 60 60 ASP C C 60 172.742 174.187 -1.445 1
1 664 . 8 1 1 A 60 60 ASP CA C 60 52.698 50.913 1.785 1
1 665 . 8 1 1 A 60 60 ASP CB C 60 43.314 41.339 1.975 1
1 666 . 8 1 1 A 60 60 ASP N N 60 122.718 123.843 -1.125 1
1 667 . 8 1 1 A 61 61 PRO HA H 61 4.681 4.703 -0.022 1
1 674 . 8 1 1 A 61 61 PRO C C 61 177.420 176.243 1.177 1
1 675 . 8 1 1 A 61 61 PRO CA C 61 63.594 62.440 1.154 1
1 676 . 8 1 1 A 61 61 PRO CB C 61 32.950 32.860 0.090 1
1 679 . 8 1 1 A 62 62 SER H H 62 7.803 8.513 -0.710 1
1 680 . 8 1 1 A 62 62 SER HA H 62 4.797 4.936 -0.139 1
1 683 . 8 1 1 A 62 62 SER C C 62 174.851 173.892 0.959 1
1 684 . 8 1 1 A 62 62 SER CA C 62 56.896 55.562 1.334 1
1 685 . 8 1 1 A 62 62 SER CB C 62 63.959 65.196 -1.237 1
1 686 . 8 1 1 A 62 62 SER N N 62 115.582 114.488 1.094 1
1 687 . 8 1 1 A 63 63 PRO HA H 63 4.089 4.477 -0.388 1
1 694 . 8 1 1 A 63 63 PRO C C 63 177.105 176.695 0.410 1
1 695 . 8 1 1 A 63 63 PRO CA C 63 66.024 64.147 1.877 1
1 696 . 8 1 1 A 63 63 PRO CB C 63 31.763 31.557 0.206 1
1 699 . 8 1 1 A 64 64 ASP H H 64 8.361 8.492 -0.131 1
1 700 . 8 1 1 A 64 64 ASP HA H 64 4.290 4.859 -0.569 1
1 703 . 8 1 1 A 64 64 ASP C C 64 174.802 174.953 -0.151 1
1 704 . 8 1 1 A 64 64 ASP CA C 64 54.458 53.710 0.748 1
1 705 . 8 1 1 A 64 64 ASP CB C 64 40.481 42.738 -2.257 1
1 706 . 8 1 1 A 64 64 ASP N N 64 111.867 117.534 -5.667 1
1 707 . 8 1 1 A 65 65 HIS H H 65 7.781 7.324 0.457 1
1 708 . 8 1 1 A 65 65 HIS HA H 65 4.558 4.594 -0.036 1
1 713 . 8 1 1 A 65 65 HIS C C 65 174.972 174.468 0.504 1
1 714 . 8 1 1 A 65 65 HIS CA C 65 54.370 54.386 -0.016 1
1 715 . 8 1 1 A 65 65 HIS CB C 65 28.450 32.358 -3.908 1
1 718 . 8 1 1 A 65 65 HIS N N 65 120.793 116.054 4.739 1
1 719 . 8 1 1 A 66 66 LEU H H 66 8.206 8.091 0.115 1
1 720 . 8 1 1 A 66 66 LEU HA H 66 3.893 4.282 -0.389 1
1 730 . 8 1 1 A 66 66 LEU C C 66 178.826 176.412 2.414 1
1 731 . 8 1 1 A 66 66 LEU CA C 66 57.857 54.391 3.466 1
1 732 . 8 1 1 A 66 66 LEU CB C 66 42.245 41.486 0.759 1
1 736 . 8 1 1 A 66 66 LEU N N 66 124.390 124.218 0.172 1
1 737 . 8 1 1 A 67 67 TYR H H 67 8.612 7.588 1.024 1
1 738 . 8 1 1 A 67 67 TYR HA H 67 5.417 4.945 0.472 1
1 745 . 8 1 1 A 67 67 TYR C C 67 176.403 174.399 2.004 1
1 746 . 8 1 1 A 67 67 TYR CA C 67 55.320 57.126 -1.806 1
1 747 . 8 1 1 A 67 67 TYR CB C 67 35.524 37.827 -2.303 1
1 752 . 8 1 1 A 67 67 TYR N N 67 118.042 119.199 -1.157 1
1 753 . 8 1 1 A 68 68 SER H H 68 6.652 7.760 -1.108 1
1 754 . 8 1 1 A 68 68 SER HA H 68 5.742 5.170 0.572 1
1 757 . 8 1 1 A 68 68 SER C C 68 174.827 173.019 1.808 1
1 758 . 8 1 1 A 68 68 SER CA C 68 56.147 56.180 -0.033 1
1 759 . 8 1 1 A 68 68 SER CB C 68 65.504 64.876 0.628 1
1 760 . 8 1 1 A 68 68 SER N N 68 111.076 117.363 -6.287 1
1 761 . 8 1 1 A 69 69 PHE H H 69 9.089 8.277 0.812 1
1 762 . 8 1 1 A 69 69 PHE HA H 69 5.212 5.797 -0.585 1
1 770 . 8 1 1 A 69 69 PHE C C 69 171.676 172.969 -1.293 1
1 771 . 8 1 1 A 69 69 PHE CA C 69 55.918 55.237 0.681 1
1 772 . 8 1 1 A 69 69 PHE CB C 69 41.034 42.370 -1.336 1
1 778 . 8 1 1 A 69 69 PHE N N 69 121.539 122.562 -1.023 1
1 779 . 8 1 1 A 70 70 ARG H H 70 9.299 9.022 0.277 1
1 780 . 8 1 1 A 70 70 ARG HA H 70 5.333 5.098 0.235 1
1 787 . 8 1 1 A 70 70 ARG C C 70 174.197 174.421 -0.224 1
1 788 . 8 1 1 A 70 70 ARG CA C 70 54.198 54.028 0.170 1
1 789 . 8 1 1 A 70 70 ARG CB C 70 35.236 34.401 0.835 1
1 792 . 8 1 1 A 70 70 ARG N N 70 117.458 118.329 -0.871 1
1 794 . 8 1 1 A 71 71 ILE H H 71 8.505 8.393 0.112 1
1 795 . 8 1 1 A 71 71 ILE HA H 71 4.974 5.499 -0.525 1
1 805 . 8 1 1 A 71 71 ILE C C 71 174.996 174.994 0.002 1
1 806 . 8 1 1 A 71 71 ILE CA C 71 60.622 60.041 0.581 1
1 807 . 8 1 1 A 71 71 ILE CB C 71 39.636 40.825 -1.189 1
1 811 . 8 1 1 A 71 71 ILE N N 71 119.757 122.345 -2.588 1
1 812 . 8 1 1 A 72 72 LEU H H 72 9.488 9.060 0.428 1
1 813 . 8 1 1 A 72 72 LEU HA H 72 5.473 5.402 0.071 1
1 823 . 8 1 1 A 72 72 LEU C C 72 176.172 176.151 0.021 1
1 824 . 8 1 1 A 72 72 LEU CA C 72 53.507 54.023 -0.516 1
1 825 . 8 1 1 A 72 72 LEU CB C 72 46.393 45.951 0.442 1
1 829 . 8 1 1 A 72 72 LEU N N 72 128.277 126.771 1.506 1
1 830 . 8 1 1 A 73 73 HIS H H 73 9.087 8.747 0.340 1
1 831 . 8 1 1 A 73 73 HIS HA H 73 4.888 4.608 0.280 1
1 836 . 8 1 1 A 73 73 HIS C C 73 175.118 175.669 -0.551 1
1 837 . 8 1 1 A 73 73 HIS CA C 73 56.675 57.936 -1.261 1
1 838 . 8 1 1 A 73 73 HIS CB C 73 32.933 31.625 1.308 1
1 841 . 8 1 1 A 73 73 HIS N N 73 119.084 123.090 -4.006 1
1 842 . 8 1 1 A 74 74 LYS H H 74 9.551 7.832 1.719 1
1 843 . 8 1 1 A 74 74 LYS HA H 74 3.763 4.314 -0.551 1
1 852 . 8 1 1 A 74 74 LYS C C 74 176.851 176.582 0.269 1
1 853 . 8 1 1 A 74 74 LYS CA C 74 56.969 55.138 1.831 1
1 854 . 8 1 1 A 74 74 LYS CB C 74 29.766 32.669 -2.903 1
1 858 . 8 1 1 A 74 74 LYS N N 74 128.764 116.287 12.477 1
1 859 . 8 1 1 A 75 75 GLY H H 75 8.877 8.059 0.818 1
1 860 . 8 1 1 A 75 75 GLY HA2 H 75 3.523 3.939 -0.416 1
1 861 . 8 1 1 A 75 75 GLY HA3 H 75 4.213 3.947 0.266 1
1 862 . 8 1 1 A 75 75 GLY C C 75 173.566 174.277 -0.711 1
1 863 . 8 1 1 A 75 75 GLY CA C 75 45.346 45.141 0.205 1
1 864 . 8 1 1 A 75 75 GLY N N 75 104.552 108.073 -3.521 1
1 865 . 8 1 1 A 76 76 GLU H H 76 7.922 7.860 0.062 1
1 866 . 8 1 1 A 76 76 GLU HA H 76 4.491 4.694 -0.203 1
1 871 . 8 1 1 A 76 76 GLU C C 76 175.651 174.894 0.757 1
1 872 . 8 1 1 A 76 76 GLU CA C 76 54.721 55.572 -0.851 1
1 873 . 8 1 1 A 76 76 GLU CB C 76 31.187 31.762 -0.575 1
1 875 . 8 1 1 A 76 76 GLU N N 76 121.492 119.886 1.606 1
1 876 . 8 1 1 A 77 77 GLU H H 77 8.925 8.559 0.366 1
1 877 . 8 1 1 A 77 77 GLU HA H 77 4.309 5.074 -0.765 1
1 881 . 8 1 1 A 77 77 GLU C C 77 175.857 175.572 0.285 1
1 882 . 8 1 1 A 77 77 GLU CA C 77 57.412 54.908 2.504 1
1 883 . 8 1 1 A 77 77 GLU CB C 77 31.146 31.672 -0.526 1
1 885 . 8 1 1 A 77 77 GLU N N 77 125.541 121.416 4.125 1
1 886 . 8 1 1 A 78 78 LEU H H 78 9.475 8.744 0.731 1
1 887 . 8 1 1 A 78 78 LEU HA H 78 4.513 4.338 0.175 1
1 897 . 8 1 1 A 78 78 LEU C C 78 177.541 177.020 0.521 1
1 898 . 8 1 1 A 78 78 LEU CA C 78 55.443 56.264 -0.821 1
1 899 . 8 1 1 A 78 78 LEU CB C 78 43.776 42.485 1.291 1
1 903 . 8 1 1 A 78 78 LEU N N 78 128.715 129.227 -0.512 1
1 904 . 8 1 1 A 79 79 ALA H H 79 7.550 7.737 -0.187 1
1 905 . 8 1 1 A 79 79 ALA HA H 79 4.503 4.697 -0.194 1
1 909 . 8 1 1 A 79 79 ALA C C 79 174.342 175.243 -0.901 1
1 910 . 8 1 1 A 79 79 ALA CA C 79 51.906 51.207 0.699 1
1 911 . 8 1 1 A 79 79 ALA CB C 79 22.017 23.597 -1.580 1
1 912 . 8 1 1 A 79 79 ALA N N 79 116.317 116.961 -0.644 1
1 913 . 8 1 1 A 80 80 LYS H H 80 8.743 8.757 -0.014 1
1 914 . 8 1 1 A 80 80 LYS HA H 80 4.725 4.879 -0.154 1
1 923 . 8 1 1 A 80 80 LYS C C 80 172.973 174.916 -1.943 1
1 924 . 8 1 1 A 80 80 LYS CA C 80 56.604 55.221 1.383 1
1 925 . 8 1 1 A 80 80 LYS CB C 80 34.331 35.843 -1.512 1
1 929 . 8 1 1 A 80 80 LYS N N 80 123.623 120.412 3.211 1
1 930 . 8 1 1 A 81 81 LEU H H 81 8.504 8.703 -0.199 1
1 931 . 8 1 1 A 81 81 LEU HA H 81 5.531 5.564 -0.033 1
1 941 . 8 1 1 A 81 81 LEU C C 81 176.366 175.208 1.158 1
1 942 . 8 1 1 A 81 81 LEU CA C 81 53.665 52.944 0.721 1
1 943 . 8 1 1 A 81 81 LEU CB C 81 45.969 45.052 0.917 1
1 947 . 8 1 1 A 81 81 LEU N N 81 124.594 128.072 -3.478 1
1 948 . 8 1 1 A 82 82 GLU H H 82 9.018 8.131 0.887 1
1 949 . 8 1 1 A 82 82 GLU HA H 82 4.826 4.389 0.437 1
1 954 . 8 1 1 A 82 82 GLU C C 82 174.439 175.468 -1.029 1
1 955 . 8 1 1 A 82 82 GLU CA C 82 56.376 54.836 1.540 1
1 956 . 8 1 1 A 82 82 GLU CB C 82 32.852 32.899 -0.047 1
1 958 . 8 1 1 A 82 82 GLU N N 82 118.819 121.674 -2.855 1
1 959 . 8 1 1 A 83 83 ALA H H 83 8.027 9.036 -1.009 1
1 960 . 8 1 1 A 83 83 ALA HA H 83 4.980 4.569 0.411 1
1 964 . 8 1 1 A 83 83 ALA C C 83 176.439 179.281 -2.842 1
1 965 . 8 1 1 A 83 83 ALA CA C 83 50.059 50.954 -0.895 1
1 966 . 8 1 1 A 83 83 ALA CB C 83 21.702 20.530 1.172 1
1 967 . 8 1 1 A 83 83 ALA N N 83 127.765 128.735 -0.970 1
1 968 . 8 1 1 A 84 84 LYS H H 84 9.017 8.561 0.456 1
1 969 . 8 1 1 A 84 84 LYS HA H 84 4.432 4.396 0.036 1
1 977 . 8 1 1 A 84 84 LYS C C 84 175.930 176.203 -0.273 1
1 978 . 8 1 1 A 84 84 LYS CA C 84 56.956 57.319 -0.363 1
1 979 . 8 1 1 A 84 84 LYS CB C 84 32.974 33.590 -0.616 1
1 983 . 8 1 1 A 84 84 LYS N N 84 115.456 116.601 -1.145 1
1 984 . 8 1 1 A 85 85 SER H H 85 7.324 7.676 -0.352 1
1 985 . 8 1 1 A 85 85 SER HA H 85 4.074 3.972 0.102 1
1 988 . 8 1 1 A 85 85 SER C C 85 173.421 173.762 -0.341 1
1 989 . 8 1 1 A 85 85 SER CA C 85 56.038 55.332 0.706 1
1 990 . 8 1 1 A 85 85 SER CB C 85 66.506 65.217 1.289 1
1 991 . 8 1 1 A 85 85 SER N N 85 110.261 114.891 -4.630 1
1 992 . 8 1 1 A 86 86 SER H H 86 8.610 8.332 0.278 1
1 993 . 8 1 1 A 86 86 SER HA H 86 3.648 4.033 -0.385 1
1 996 . 8 1 1 A 86 86 SER C C 86 177.784 176.565 1.219 1
1 997 . 8 1 1 A 86 86 SER CA C 86 61.391 61.232 0.159 1
1 998 . 8 1 1 A 86 86 SER CB C 86 62.378 62.930 -0.552 1
1 999 . 8 1 1 A 86 86 SER N N 86 117.136 120.487 -3.351 1
1 1000 . 8 1 1 A 87 87 GLU H H 87 8.890 7.184 1.706 1
1 1001 . 8 1 1 A 87 87 GLU HA H 87 4.031 4.038 -0.007 1
1 1006 . 8 1 1 A 87 87 GLU C C 87 179.492 179.114 0.378 1
1 1007 . 8 1 1 A 87 87 GLU CA C 87 59.983 59.339 0.644 1
1 1008 . 8 1 1 A 87 87 GLU CB C 87 28.969 29.187 -0.218 1
1 1010 . 8 1 1 A 87 87 GLU N N 87 123.189 121.753 1.436 1
1 1011 . 8 1 1 A 88 88 GLU H H 88 8.015 8.212 -0.197 1
1 1012 . 8 1 1 A 88 88 GLU HA H 88 4.243 4.109 0.134 1
1 1017 . 8 1 1 A 88 88 GLU C C 88 178.472 178.727 -0.255 1
1 1018 . 8 1 1 A 88 88 GLU CA C 88 59.642 59.303 0.339 1
1 1019 . 8 1 1 A 88 88 GLU CB C 88 31.016 29.021 1.995 1
1 1021 . 8 1 1 A 88 88 GLU N N 88 121.015 119.840 1.175 1
1 1022 . 8 1 1 A 89 89 MET H H 89 8.334 8.425 -0.091 1
1 1023 . 8 1 1 A 89 89 MET HA H 89 3.843 4.261 -0.418 1
1 1030 . 8 1 1 A 89 89 MET C C 89 177.396 178.690 -1.294 1
1 1031 . 8 1 1 A 89 89 MET CA C 89 60.458 58.018 2.440 1
1 1032 . 8 1 1 A 89 89 MET CB C 89 32.481 32.552 -0.071 1
1 1035 . 8 1 1 A 89 89 MET N N 89 119.764 119.012 0.752 1
1 1036 . 8 1 1 A 90 90 GLY H H 90 8.452 8.180 0.272 1
1 1037 . 8 1 1 A 90 90 GLY HA2 H 90 4.008 3.658 0.350 1
1 1038 . 8 1 1 A 90 90 GLY HA3 H 90 3.723 3.682 0.041 1
1 1039 . 8 1 1 A 90 90 GLY C C 90 176.814 175.702 1.112 1
1 1040 . 8 1 1 A 90 90 GLY CA C 90 47.489 47.012 0.477 1
1 1041 . 8 1 1 A 90 90 GLY N N 90 105.180 108.629 -3.449 1
1 1042 . 8 1 1 A 91 91 HIS H H 91 7.919 8.105 -0.186 1
1 1043 . 8 1 1 A 91 91 HIS HA H 91 4.329 4.184 0.145 1
1 1048 . 8 1 1 A 91 91 HIS C C 91 178.208 177.162 1.046 1
1 1049 . 8 1 1 A 91 91 HIS CA C 91 59.367 58.962 0.405 1
1 1050 . 8 1 1 A 91 91 HIS CB C 91 30.612 29.640 0.972 1
1 1053 . 8 1 1 A 91 91 HIS N N 91 121.929 121.327 0.602 1
1 1054 . 8 1 1 A 92 92 TRP H H 92 8.199 7.414 0.785 1
1 1055 . 8 1 1 A 92 92 TRP HA H 92 3.829 4.209 -0.380 1
1 1064 . 8 1 1 A 92 92 TRP C C 92 178.257 178.443 -0.186 1
1 1065 . 8 1 1 A 92 92 TRP CA C 92 62.464 59.596 2.868 1
1 1066 . 8 1 1 A 92 92 TRP CB C 92 29.190 29.997 -0.807 1
1 1072 . 8 1 1 A 92 92 TRP N N 92 120.070 117.980 2.090 1
1 1074 . 8 1 1 A 93 93 LEU H H 93 8.740 8.339 0.401 1
1 1075 . 8 1 1 A 93 93 LEU HA H 93 3.695 3.733 -0.038 1
1 1085 . 8 1 1 A 93 93 LEU C C 93 179.105 179.207 -0.102 1
1 1086 . 8 1 1 A 93 93 LEU CA C 93 59.076 58.215 0.861 1
1 1087 . 8 1 1 A 93 93 LEU CB C 93 40.993 41.609 -0.616 1
1 1091 . 8 1 1 A 93 93 LEU N N 93 119.445 120.211 -0.766 1
1 1092 . 8 1 1 A 94 94 GLY H H 94 7.616 8.043 -0.427 1
1 1093 . 8 1 1 A 94 94 GLY HA2 H 94 3.852 3.598 0.254 1
1 1094 . 8 1 1 A 94 94 GLY HA3 H 94 3.759 3.623 0.136 1
1 1095 . 8 1 1 A 94 94 GLY C C 94 176.693 175.422 1.271 1
1 1096 . 8 1 1 A 94 94 GLY CA C 94 47.120 47.257 -0.137 1
1 1097 . 8 1 1 A 94 94 GLY N N 94 102.951 105.204 -2.253 1
1 1098 . 8 1 1 A 95 95 LEU H H 95 7.853 7.526 0.327 1
1 1099 . 8 1 1 A 95 95 LEU HA H 95 4.024 3.827 0.197 1
1 1109 . 8 1 1 A 95 95 LEU C C 95 179.589 178.324 1.265 1
1 1110 . 8 1 1 A 95 95 LEU CA C 95 57.678 57.456 0.222 1
1 1111 . 8 1 1 A 95 95 LEU CB C 95 42.533 41.304 1.229 1
1 1115 . 8 1 1 A 95 95 LEU N N 95 123.479 122.778 0.701 1
1 1116 . 8 1 1 A 96 96 LEU H H 96 8.649 8.553 0.096 1
1 1117 . 8 1 1 A 96 96 LEU HA H 96 3.971 4.056 -0.085 1
1 1127 . 8 1 1 A 96 96 LEU C C 96 179.068 179.170 -0.102 1
1 1128 . 8 1 1 A 96 96 LEU CA C 96 57.906 57.976 -0.070 1
1 1129 . 8 1 1 A 96 96 LEU CB C 96 42.104 41.603 0.501 1
1 1133 . 8 1 1 A 96 96 LEU N N 96 118.046 118.463 -0.417 1
1 1134 . 8 1 1 A 97 97 LEU H H 97 8.198 8.227 -0.029 1
1 1135 . 8 1 1 A 97 97 LEU HA H 97 4.234 3.893 0.341 1
1 1145 . 8 1 1 A 97 97 LEU C C 97 180.177 178.945 1.232 1
1 1146 . 8 1 1 A 97 97 LEU CA C 97 57.361 58.059 -0.698 1
1 1147 . 8 1 1 A 97 97 LEU CB C 97 41.611 41.327 0.284 1
1 1151 . 8 1 1 A 97 97 LEU N N 97 118.670 119.114 -0.444 1
1 1152 . 8 1 1 A 98 98 SER H H 98 7.818 8.224 -0.406 1
1 1153 . 8 1 1 A 98 98 SER HA H 98 4.328 4.016 0.312 1
1 1156 . 8 1 1 A 98 98 SER C C 98 176.863 177.054 -0.191 1
1 1157 . 8 1 1 A 98 98 SER CA C 98 61.004 61.571 -0.567 1
1 1158 . 8 1 1 A 98 98 SER CB C 98 63.322 62.868 0.454 1
1 1159 . 8 1 1 A 98 98 SER N N 98 115.679 113.448 2.231 1
1 1160 . 8 1 1 A 99 99 GLU H H 99 8.003 7.523 0.480 1
1 1161 . 8 1 1 A 99 99 GLU HA H 99 4.193 4.221 -0.028 1
1 1166 . 8 1 1 A 99 99 GLU C C 99 177.226 176.927 0.299 1
1 1167 . 8 1 1 A 99 99 GLU CA C 99 57.449 59.091 -1.642 1
1 1168 . 8 1 1 A 99 99 GLU CB C 99 30.260 30.197 0.063 1
1 1170 . 8 1 1 A 99 99 GLU N N 99 120.518 119.910 0.608 1
1 1171 . 8 1 1 A 100 100 SER H H 100 7.892 8.098 -0.206 1
1 1172 . 8 1 1 A 100 100 SER HA H 100 4.582 4.502 0.080 1
1 1175 . 8 1 1 A 100 100 SER C C 100 175.881 174.786 1.095 1
1 1176 . 8 1 1 A 100 100 SER CA C 100 59.561 57.951 1.610 1
1 1177 . 8 1 1 A 100 100 SER CB C 100 64.188 63.455 0.733 1
1 1178 . 8 1 1 A 100 100 SER N N 100 113.686 113.182 0.504 1
1 1179 . 8 1 1 A 101 101 GLY H H 101 7.861 8.586 -0.725 1
1 1180 . 8 1 1 A 101 101 GLY HA2 H 101 4.114 3.985 0.129 1
1 1181 . 8 1 1 A 101 101 GLY HA3 H 101 4.063 3.991 0.072 1
1 1182 . 8 1 1 A 101 101 GLY C C 101 174.076 175.481 -1.405 1
1 1183 . 8 1 1 A 101 101 GLY CA C 101 45.501 46.710 -1.209 1
1 1184 . 8 1 1 A 101 101 GLY N N 101 109.148 110.111 -0.963 1
1 1185 . 8 1 1 A 102 102 SER H H 102 8.260 8.914 -0.654 1
1 1186 . 8 1 1 A 102 102 SER HA H 102 4.543 4.499 0.044 1
1 1189 . 8 1 1 A 102 102 SER C C 102 174.851 174.775 0.076 1
1 1190 . 8 1 1 A 102 102 SER CA C 102 58.646 59.210 -0.564 1
1 1191 . 8 1 1 A 102 102 SER CB C 102 64.211 63.845 0.366 1
1 1192 . 8 1 1 A 102 102 SER N N 102 116.298 118.265 -1.967 1
1 1193 . 8 1 1 A 103 103 GLY H H 103 8.252 7.426 0.826 1
1 1194 . 8 1 1 A 103 103 GLY HA2 H 103 4.173 4.056 0.117 1
1 1195 . 8 1 1 A 103 103 GLY HA3 H 103 4.074 4.058 0.016 1
1 1196 . 8 1 1 A 103 103 GLY C C 103 171.773 171.496 0.277 1
1 1197 . 8 1 1 A 103 103 GLY CA C 103 44.777 45.191 -0.414 1
1 1198 . 8 1 1 A 103 103 GLY N N 103 110.162 108.185 1.977 1
1 1199 . 8 1 1 A 104 104 PRO HA H 104 4.515 4.424 0.091 1
1 1206 . 8 1 1 A 104 104 PRO CA C 104 63.224 63.017 0.207 1
1 1207 . 8 1 1 A 104 104 PRO CB C 104 32.174 30.808 1.366 1
1 1210 . 8 1 1 A 105 105 SER H H 105 8.559 8.401 0.158 1
1 1211 . 8 1 1 A 105 105 SER CA C 105 60.998 59.185 1.813 1
1 1212 . 8 1 1 A 105 105 SER CB C 105 63.768 61.346 2.422 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.952 3.975 -0.023 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.952 3.990 -0.038 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.197 172.336 1.861 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.378 45.253 0.125 1
1 5 . 9 1 1 A 8 8 LEU H H 8 8.030 8.233 -0.203 1
1 6 . 9 1 1 A 8 8 LEU HA H 8 4.321 4.919 -0.598 1
1 16 . 9 1 1 A 8 8 LEU C C 8 177.468 175.973 1.495 1
1 17 . 9 1 1 A 8 8 LEU CA C 8 55.320 53.535 1.785 1
1 18 . 9 1 1 A 8 8 LEU CB C 8 42.556 44.455 -1.899 1
1 22 . 9 1 1 A 8 8 LEU N N 8 121.494 123.696 -2.202 1
1 23 . 9 1 1 A 9 9 GLU H H 9 8.577 8.853 -0.276 1
1 24 . 9 1 1 A 9 9 GLU HA H 9 4.454 4.437 0.017 1
1 29 . 9 1 1 A 9 9 GLU C C 9 177.056 177.856 -0.800 1
1 30 . 9 1 1 A 9 9 GLU CA C 9 56.956 55.677 1.279 1
1 31 . 9 1 1 A 9 9 GLU CB C 9 30.237 30.768 -0.531 1
1 33 . 9 1 1 A 9 9 GLU N N 9 121.449 125.260 -3.811 1
1 34 . 9 1 1 A 10 10 THR H H 10 8.189 8.553 -0.364 1
1 35 . 9 1 1 A 10 10 THR HA H 10 4.323 3.724 0.599 1
1 40 . 9 1 1 A 10 10 THR CA C 10 62.062 65.398 -3.336 1
1 41 . 9 1 1 A 10 10 THR CB C 10 69.441 68.469 0.972 1
1 43 . 9 1 1 A 10 10 THR N N 10 113.730 116.829 -3.099 1
1 44 . 9 1 1 A 11 11 SER H H 11 7.883 7.927 -0.044 1
1 45 . 9 1 1 A 11 11 SER HA H 11 5.249 4.536 0.713 1
1 48 . 9 1 1 A 11 11 SER CA C 11 57.852 58.563 -0.711 1
1 49 . 9 1 1 A 11 11 SER CB C 11 65.426 61.357 4.069 1
1 50 . 9 1 1 A 12 12 SER H H 12 8.413 8.955 -0.542 1
1 51 . 9 1 1 A 12 12 SER HA H 12 4.467 4.726 -0.259 1
1 54 . 9 1 1 A 12 12 SER CA C 12 58.741 57.689 1.052 1
1 55 . 9 1 1 A 12 12 SER CB C 12 65.239 65.284 -0.045 1
1 56 . 9 1 1 A 12 12 SER N N 12 116.995 123.174 -6.179 1
1 57 . 9 1 1 A 13 13 TYR H H 13 8.156 7.769 0.387 1
1 58 . 9 1 1 A 13 13 TYR HA H 13 4.936 4.268 0.668 1
1 65 . 9 1 1 A 13 13 TYR CA C 13 58.533 59.685 -1.152 1
1 68 . 9 1 1 A 13 13 TYR N N 13 121.972 126.646 -4.674 1
1 69 . 9 1 1 A 14 14 LEU H H 14 8.803 8.736 0.067 1
1 70 . 9 1 1 A 14 14 LEU HA H 14 4.573 4.963 -0.390 1
1 80 . 9 1 1 A 14 14 LEU C C 14 175.845 175.554 0.291 1
1 81 . 9 1 1 A 14 14 LEU CA C 14 54.141 53.521 0.620 1
1 82 . 9 1 1 A 14 14 LEU CB C 14 46.603 45.575 1.028 1
1 86 . 9 1 1 A 14 14 LEU N N 14 123.967 125.469 -1.502 1
1 87 . 9 1 1 A 15 15 ASN H H 15 8.090 8.987 -0.897 1
1 88 . 9 1 1 A 15 15 ASN HA H 15 5.669 5.216 0.453 1
1 93 . 9 1 1 A 15 15 ASN C C 15 174.972 174.131 0.841 1
1 94 . 9 1 1 A 15 15 ASN CA C 15 51.589 52.602 -1.013 1
1 95 . 9 1 1 A 15 15 ASN CB C 15 40.317 39.307 1.010 1
1 96 . 9 1 1 A 15 15 ASN N N 15 117.248 119.768 -2.520 1
1 98 . 9 1 1 A 16 16 VAL H H 16 9.452 8.335 1.117 1
1 99 . 9 1 1 A 16 16 VAL HA H 16 4.743 4.558 0.185 1
1 107 . 9 1 1 A 16 16 VAL C C 16 174.269 176.266 -1.997 1
1 108 . 9 1 1 A 16 16 VAL CA C 16 60.574 62.091 -1.517 1
1 109 . 9 1 1 A 16 16 VAL CB C 16 35.194 32.222 2.972 1
1 112 . 9 1 1 A 16 16 VAL N N 16 122.909 125.789 -2.880 1
1 113 . 9 1 1 A 17 17 LEU H H 17 7.892 8.719 -0.827 1
1 114 . 9 1 1 A 17 17 LEU HA H 17 3.679 3.844 -0.165 1
1 124 . 9 1 1 A 17 17 LEU C C 17 175.747 175.076 0.671 1
1 125 . 9 1 1 A 17 17 LEU CA C 17 54.493 56.163 -1.670 1
1 126 . 9 1 1 A 17 17 LEU CB C 17 40.541 41.309 -0.768 1
1 130 . 9 1 1 A 17 17 LEU N N 17 130.093 131.029 -0.936 1
1 131 . 9 1 1 A 18 18 VAL H H 18 8.923 8.836 0.087 1
1 132 . 9 1 1 A 18 18 VAL HA H 18 4.053 4.277 -0.224 1
1 140 . 9 1 1 A 18 18 VAL C C 18 175.869 175.798 0.071 1
1 141 . 9 1 1 A 18 18 VAL CA C 18 61.285 61.179 0.106 1
1 142 . 9 1 1 A 18 18 VAL CB C 18 33.609 34.152 -0.543 1
1 145 . 9 1 1 A 18 18 VAL N N 18 130.417 128.416 2.001 1
1 146 . 9 1 1 A 19 19 ASN H H 19 9.323 9.418 -0.095 1
1 147 . 9 1 1 A 19 19 ASN HA H 19 4.232 4.296 -0.064 1
1 152 . 9 1 1 A 19 19 ASN C C 19 174.948 174.482 0.466 1
1 153 . 9 1 1 A 19 19 ASN CA C 19 54.809 54.548 0.261 1
1 154 . 9 1 1 A 19 19 ASN CB C 19 37.192 36.679 0.513 1
1 155 . 9 1 1 A 19 19 ASN N N 19 127.579 127.571 0.008 1
1 157 . 9 1 1 A 20 20 SER H H 20 8.464 8.406 0.058 1
1 158 . 9 1 1 A 20 20 SER HA H 20 3.653 3.847 -0.194 1
1 161 . 9 1 1 A 20 20 SER C C 20 172.645 172.852 -0.207 1
1 162 . 9 1 1 A 20 20 SER CA C 20 60.458 59.662 0.796 1
1 163 . 9 1 1 A 20 20 SER CB C 20 62.584 61.070 1.514 1
1 164 . 9 1 1 A 20 20 SER N N 20 106.869 105.582 1.287 1
1 165 . 9 1 1 A 21 21 GLN H H 21 7.695 7.132 0.563 1
1 166 . 9 1 1 A 21 21 GLN HA H 21 4.591 4.644 -0.053 1
1 173 . 9 1 1 A 21 21 GLN C C 21 174.003 174.655 -0.652 1
1 174 . 9 1 1 A 21 21 GLN CA C 21 53.772 54.169 -0.397 1
1 175 . 9 1 1 A 21 21 GLN CB C 21 32.069 32.022 0.047 1
1 177 . 9 1 1 A 21 21 GLN N N 21 120.372 117.883 2.489 1
1 179 . 9 1 1 A 22 22 TRP H H 22 8.743 8.712 0.031 1
1 180 . 9 1 1 A 22 22 TRP HA H 22 4.690 4.925 -0.235 1
1 189 . 9 1 1 A 22 22 TRP C C 22 176.863 176.312 0.551 1
1 190 . 9 1 1 A 22 22 TRP CA C 22 57.062 57.085 -0.023 1
1 191 . 9 1 1 A 22 22 TRP CB C 22 29.323 29.123 0.200 1
1 197 . 9 1 1 A 22 22 TRP N N 22 124.919 124.021 0.898 1
1 199 . 9 1 1 A 23 23 LYS H H 23 9.302 8.490 0.812 1
1 200 . 9 1 1 A 23 23 LYS HA H 23 4.798 4.816 -0.018 1
1 208 . 9 1 1 A 23 23 LYS C C 23 176.050 176.267 -0.217 1
1 209 . 9 1 1 A 23 23 LYS CA C 23 54.106 54.145 -0.039 1
1 210 . 9 1 1 A 23 23 LYS CB C 23 35.583 34.899 0.684 1
1 214 . 9 1 1 A 23 23 LYS N N 23 124.474 125.483 -1.009 1
1 215 . 9 1 1 A 24 24 SER H H 24 8.740 8.616 0.124 1
1 216 . 9 1 1 A 24 24 SER HA H 24 5.035 4.597 0.438 1
1 219 . 9 1 1 A 24 24 SER C C 24 175.905 173.790 2.115 1
1 220 . 9 1 1 A 24 24 SER CA C 24 58.857 58.326 0.531 1
1 221 . 9 1 1 A 24 24 SER CB C 24 63.489 63.533 -0.044 1
1 222 . 9 1 1 A 24 24 SER N N 24 118.568 117.162 1.406 1
1 223 . 9 1 1 A 25 25 ARG H H 25 9.302 8.071 1.231 1
1 224 . 9 1 1 A 25 25 ARG HA H 25 4.946 4.798 0.148 1
1 231 . 9 1 1 A 25 25 ARG C C 25 173.724 174.259 -0.535 1
1 232 . 9 1 1 A 25 25 ARG CA C 25 54.440 55.626 -1.186 1
1 233 . 9 1 1 A 25 25 ARG CB C 25 34.825 34.209 0.616 1
1 236 . 9 1 1 A 25 25 ARG N N 25 126.895 123.194 3.701 1
1 237 . 9 1 1 A 26 26 TRP H H 26 8.668 9.244 -0.576 1
1 238 . 9 1 1 A 26 26 TRP HA H 26 4.780 5.027 -0.247 1
1 247 . 9 1 1 A 26 26 TRP C C 26 175.796 175.355 0.441 1
1 248 . 9 1 1 A 26 26 TRP CA C 26 57.555 56.242 1.313 1
1 249 . 9 1 1 A 26 26 TRP CB C 26 29.833 29.991 -0.158 1
1 255 . 9 1 1 A 26 26 TRP N N 26 123.493 127.945 -4.452 1
1 257 . 9 1 1 A 27 27 CYS H H 27 8.884 8.640 0.244 1
1 258 . 9 1 1 A 27 27 CYS HA H 27 5.668 5.189 0.479 1
1 261 . 9 1 1 A 27 27 CYS C C 27 174.560 173.973 0.587 1
1 262 . 9 1 1 A 27 27 CYS CA C 27 58.184 57.909 0.275 1
1 263 . 9 1 1 A 27 27 CYS CB C 27 31.516 29.383 2.133 1
1 264 . 9 1 1 A 27 27 CYS N N 27 124.947 126.593 -1.646 1
1 265 . 9 1 1 A 28 28 SER H H 28 8.566 8.797 -0.231 1
1 266 . 9 1 1 A 28 28 SER HA H 28 5.240 5.207 0.033 1
1 269 . 9 1 1 A 28 28 SER C C 28 173.106 172.964 0.142 1
1 270 . 9 1 1 A 28 28 SER CA C 28 57.027 56.819 0.208 1
1 271 . 9 1 1 A 28 28 SER CB C 28 66.738 65.577 1.161 1
1 272 . 9 1 1 A 28 28 SER N N 28 114.751 118.802 -4.051 1
1 273 . 9 1 1 A 29 29 VAL H H 29 8.843 9.080 -0.237 1
1 274 . 9 1 1 A 29 29 VAL HA H 29 5.302 5.075 0.227 1
1 282 . 9 1 1 A 29 29 VAL C C 29 175.905 175.422 0.483 1
1 283 . 9 1 1 A 29 29 VAL CA C 29 61.233 61.662 -0.429 1
1 284 . 9 1 1 A 29 29 VAL CB C 29 32.832 32.998 -0.166 1
1 287 . 9 1 1 A 29 29 VAL N N 29 125.688 127.903 -2.215 1
1 288 . 9 1 1 A 30 30 ARG H H 30 8.964 9.214 -0.250 1
1 289 . 9 1 1 A 30 30 ARG HA H 30 4.620 4.525 0.095 1
1 295 . 9 1 1 A 30 30 ARG C C 30 176.160 175.359 0.801 1
1 296 . 9 1 1 A 30 30 ARG CA C 30 55.901 56.151 -0.250 1
1 297 . 9 1 1 A 30 30 ARG CB C 30 33.198 33.076 0.122 1
1 300 . 9 1 1 A 30 30 ARG N N 30 125.513 125.577 -0.064 1
1 301 . 9 1 1 A 31 31 ASP H H 31 9.773 9.652 0.121 1
1 302 . 9 1 1 A 31 31 ASP HA H 31 4.451 4.325 0.126 1
1 305 . 9 1 1 A 31 31 ASP C C 31 177.008 175.242 1.766 1
1 306 . 9 1 1 A 31 31 ASP CA C 31 55.936 55.213 0.723 1
1 307 . 9 1 1 A 31 31 ASP CB C 31 39.659 39.523 0.136 1
1 308 . 9 1 1 A 31 31 ASP N N 31 127.085 125.861 1.224 1
1 309 . 9 1 1 A 32 32 ASN H H 32 9.639 8.616 1.023 1
1 310 . 9 1 1 A 32 32 ASN HA H 32 4.535 4.344 0.191 1
1 315 . 9 1 1 A 32 32 ASN C C 32 172.766 173.933 -1.167 1
1 316 . 9 1 1 A 32 32 ASN CA C 32 55.549 54.724 0.825 1
1 317 . 9 1 1 A 32 32 ASN CB C 32 38.238 37.194 1.044 1
1 318 . 9 1 1 A 32 32 ASN N N 32 112.101 109.173 2.928 1
1 320 . 9 1 1 A 33 33 HIS H H 33 8.292 7.647 0.645 1
1 321 . 9 1 1 A 33 33 HIS HA H 33 5.368 5.574 -0.206 1
1 326 . 9 1 1 A 33 33 HIS C C 33 172.718 173.485 -0.767 1
1 327 . 9 1 1 A 33 33 HIS CA C 33 55.303 54.835 0.468 1
1 328 . 9 1 1 A 33 33 HIS CB C 33 32.851 34.105 -1.254 1
1 331 . 9 1 1 A 33 33 HIS N N 33 116.294 116.395 -0.101 1
1 332 . 9 1 1 A 34 34 LEU H H 34 8.987 9.187 -0.200 1
1 333 . 9 1 1 A 34 34 LEU HA H 34 4.784 4.931 -0.147 1
1 342 . 9 1 1 A 34 34 LEU C C 34 173.240 175.076 -1.836 1
1 343 . 9 1 1 A 34 34 LEU CA C 34 53.719 53.589 0.130 1
1 344 . 9 1 1 A 34 34 LEU CB C 34 45.147 43.773 1.374 1
1 348 . 9 1 1 A 34 34 LEU N N 34 122.961 125.392 -2.431 1
1 349 . 9 1 1 A 35 35 HIS H H 35 9.169 9.496 -0.327 1
1 350 . 9 1 1 A 35 35 HIS HA H 35 4.713 4.912 -0.199 1
1 355 . 9 1 1 A 35 35 HIS C C 35 174.778 174.776 0.002 1
1 356 . 9 1 1 A 35 35 HIS CA C 35 55.284 55.995 -0.711 1
1 357 . 9 1 1 A 35 35 HIS CB C 35 34.455 31.788 2.667 1
1 360 . 9 1 1 A 35 35 HIS N N 35 125.201 126.059 -0.858 1
1 361 . 9 1 1 A 36 36 PHE H H 36 9.522 8.786 0.736 1
1 362 . 9 1 1 A 36 36 PHE HA H 36 5.014 5.368 -0.354 1
1 370 . 9 1 1 A 36 36 PHE C C 36 174.911 174.213 0.698 1
1 371 . 9 1 1 A 36 36 PHE CA C 36 56.217 56.450 -0.233 1
1 372 . 9 1 1 A 36 36 PHE CB C 36 43.666 42.830 0.836 1
1 378 . 9 1 1 A 36 36 PHE N N 36 118.294 118.138 0.156 1
1 379 . 9 1 1 A 37 37 TYR H H 37 9.783 9.113 0.670 1
1 380 . 9 1 1 A 37 37 TYR HA H 37 5.453 5.132 0.321 1
1 387 . 9 1 1 A 37 37 TYR C C 37 176.475 175.817 0.658 1
1 388 . 9 1 1 A 37 37 TYR CA C 37 57.185 56.724 0.461 1
1 389 . 9 1 1 A 37 37 TYR CB C 37 41.569 43.434 -1.865 1
1 394 . 9 1 1 A 37 37 TYR N N 37 121.241 120.883 0.358 1
1 395 . 9 1 1 A 38 38 GLN H H 38 9.233 9.133 0.100 1
1 396 . 9 1 1 A 38 38 GLN HA H 38 4.480 4.664 -0.184 1
1 403 . 9 1 1 A 38 38 GLN C C 38 175.408 176.203 -0.795 1
1 404 . 9 1 1 A 38 38 GLN CA C 38 57.977 57.202 0.775 1
1 405 . 9 1 1 A 38 38 GLN CB C 38 29.825 30.328 -0.503 1
1 407 . 9 1 1 A 38 38 GLN N N 38 119.348 120.678 -1.330 1
1 409 . 9 1 1 A 39 39 ASP H H 39 8.674 7.730 0.944 1
1 410 . 9 1 1 A 39 39 ASP HA H 39 4.849 4.653 0.196 1
1 413 . 9 1 1 A 39 39 ASP CA C 39 52.402 54.237 -1.835 1
1 414 . 9 1 1 A 39 39 ASP CB C 39 43.525 41.864 1.661 1
1 415 . 9 1 1 A 40 40 ARG H H 40 7.823 8.585 -0.762 1
1 416 . 9 1 1 A 40 40 ARG HA H 40 2.342 3.579 -1.237 1
1 423 . 9 1 1 A 40 40 ARG CA C 40 57.183 58.787 -1.604 1
1 424 . 9 1 1 A 40 40 ARG CB C 40 29.300 30.533 -1.233 1
1 427 . 9 1 1 A 40 40 ARG N N 40 119.412 121.692 -2.280 1
1 428 . 9 1 1 A 41 41 ASN H H 41 7.601 7.670 -0.069 1
1 429 . 9 1 1 A 41 41 ASN HA H 41 4.408 4.519 -0.111 1
1 434 . 9 1 1 A 41 41 ASN C C 41 174.584 173.668 0.916 1
1 435 . 9 1 1 A 41 41 ASN CA C 41 53.396 52.462 0.934 1
1 436 . 9 1 1 A 41 41 ASN CB C 41 37.847 37.730 0.117 1
1 437 . 9 1 1 A 41 41 ASN N N 41 114.895 114.918 -0.023 1
1 439 . 9 1 1 A 42 42 ARG H H 42 7.927 7.096 0.831 1
1 440 . 9 1 1 A 42 42 ARG HA H 42 3.271 3.512 -0.241 1
1 446 . 9 1 1 A 42 42 ARG CA C 42 57.164 56.372 0.792 1
1 449 . 9 1 1 A 42 42 ARG N N 42 115.263 115.037 0.226 1
1 450 . 9 1 1 A 43 43 SER H H 43 9.112 7.753 1.359 1
1 451 . 9 1 1 A 43 43 SER HA H 43 4.444 4.349 0.095 1
1 454 . 9 1 1 A 43 43 SER CA C 43 59.742 61.218 -1.476 1
1 455 . 9 1 1 A 43 43 SER CB C 43 64.693 63.438 1.255 1
1 456 . 9 1 1 A 43 43 SER N N 43 115.094 112.872 2.222 1
1 457 . 9 1 1 A 44 44 LYS H H 44 8.543 7.976 0.567 1
1 458 . 9 1 1 A 44 44 LYS HA H 44 4.784 4.689 0.095 1
1 464 . 9 1 1 A 44 44 LYS C C 44 175.723 175.736 -0.013 1
1 465 . 9 1 1 A 44 44 LYS CA C 44 55.091 54.923 0.168 1
1 466 . 9 1 1 A 44 44 LYS CB C 44 34.642 34.661 -0.019 1
1 470 . 9 1 1 A 45 45 VAL H H 45 8.965 8.786 0.179 1
1 471 . 9 1 1 A 45 45 VAL HA H 45 4.043 4.148 -0.105 1
1 479 . 9 1 1 A 45 45 VAL C C 45 176.656 176.597 0.059 1
1 480 . 9 1 1 A 45 45 VAL CA C 45 63.883 62.783 1.100 1
1 481 . 9 1 1 A 45 45 VAL CB C 45 32.621 32.478 0.143 1
1 484 . 9 1 1 A 45 45 VAL N N 45 127.663 126.700 0.963 1
1 485 . 9 1 1 A 46 46 ALA H H 46 9.214 9.014 0.200 1
1 486 . 9 1 1 A 46 46 ALA HA H 46 4.523 4.479 0.044 1
1 490 . 9 1 1 A 46 46 ALA C C 46 176.560 177.657 -1.097 1
1 491 . 9 1 1 A 46 46 ALA CA C 46 52.610 53.729 -1.119 1
1 492 . 9 1 1 A 46 46 ALA CB C 46 20.929 20.429 0.500 1
1 493 . 9 1 1 A 46 46 ALA N N 46 129.165 127.783 1.382 1
1 494 . 9 1 1 A 47 47 GLN H H 47 7.504 7.150 0.354 1
1 495 . 9 1 1 A 47 47 GLN HA H 47 4.494 4.502 -0.008 1
1 502 . 9 1 1 A 47 47 GLN C C 47 173.057 173.739 -0.682 1
1 503 . 9 1 1 A 47 47 GLN CA C 47 54.458 54.897 -0.439 1
1 504 . 9 1 1 A 47 47 GLN CB C 47 30.918 30.441 0.477 1
1 506 . 9 1 1 A 47 47 GLN N N 47 112.591 111.984 0.607 1
1 508 . 9 1 1 A 48 48 GLN H H 48 8.541 8.461 0.080 1
1 509 . 9 1 1 A 48 48 GLN HA H 48 4.420 4.215 0.205 1
1 516 . 9 1 1 A 48 48 GLN C C 48 172.864 174.533 -1.669 1
1 517 . 9 1 1 A 48 48 GLN CA C 48 54.774 54.118 0.656 1
1 518 . 9 1 1 A 48 48 GLN CB C 48 28.017 29.364 -1.347 1
1 520 . 9 1 1 A 48 48 GLN N N 48 120.933 121.255 -0.322 1
1 522 . 9 1 1 A 49 49 PRO HA H 49 4.963 4.609 0.354 1
1 529 . 9 1 1 A 49 49 PRO C C 49 177.105 175.452 1.653 1
1 530 . 9 1 1 A 49 49 PRO CA C 49 63.010 62.256 0.754 1
1 531 . 9 1 1 A 49 49 PRO CB C 49 32.625 31.978 0.647 1
1 534 . 9 1 1 A 50 50 LEU H H 50 8.937 8.794 0.143 1
1 535 . 9 1 1 A 50 50 LEU HA H 50 4.742 5.102 -0.360 1
1 545 . 9 1 1 A 50 50 LEU C C 50 176.147 175.769 0.378 1
1 546 . 9 1 1 A 50 50 LEU CA C 50 53.120 53.230 -0.110 1
1 547 . 9 1 1 A 50 50 LEU CB C 50 45.352 45.312 0.040 1
1 551 . 9 1 1 A 50 50 LEU N N 50 121.454 121.824 -0.370 1
1 552 . 9 1 1 A 51 51 SER H H 51 8.771 8.936 -0.165 1
1 553 . 9 1 1 A 51 51 SER HA H 51 3.434 3.808 -0.374 1
1 556 . 9 1 1 A 51 51 SER C C 51 175.081 174.333 0.748 1
1 557 . 9 1 1 A 51 51 SER CA C 51 57.936 57.244 0.692 1
1 558 . 9 1 1 A 51 51 SER CB C 51 62.378 61.607 0.771 1
1 559 . 9 1 1 A 51 51 SER N N 51 120.178 120.063 0.115 1
1 560 . 9 1 1 A 52 52 LEU H H 52 8.045 8.014 0.031 1
1 561 . 9 1 1 A 52 52 LEU HA H 52 4.443 3.936 0.507 1
1 571 . 9 1 1 A 52 52 LEU C C 52 177.916 177.708 0.208 1
1 572 . 9 1 1 A 52 52 LEU CA C 52 55.105 57.534 -2.429 1
1 573 . 9 1 1 A 52 52 LEU CB C 52 42.762 41.681 1.081 1
1 577 . 9 1 1 A 52 52 LEU N N 52 125.348 126.726 -1.378 1
1 578 . 9 1 1 A 53 53 VAL H H 53 7.418 7.418 0.000 1
1 579 . 9 1 1 A 53 53 VAL HA H 53 3.841 4.172 -0.331 1
1 587 . 9 1 1 A 53 53 VAL C C 53 178.123 177.059 1.064 1
1 588 . 9 1 1 A 53 53 VAL CA C 53 64.893 64.800 0.093 1
1 589 . 9 1 1 A 53 53 VAL CB C 53 30.973 30.979 -0.006 1
1 592 . 9 1 1 A 53 53 VAL N N 53 119.590 119.203 0.387 1
1 593 . 9 1 1 A 54 54 GLY H H 54 9.187 8.528 0.659 1
1 594 . 9 1 1 A 54 54 GLY HA2 H 54 4.292 3.856 0.436 1
1 595 . 9 1 1 A 54 54 GLY HA3 H 54 3.934 3.860 0.074 1
1 596 . 9 1 1 A 54 54 GLY C C 54 175.275 174.029 1.246 1
1 597 . 9 1 1 A 54 54 GLY CA C 54 45.906 44.761 1.145 1
1 598 . 9 1 1 A 54 54 GLY N N 54 115.764 114.781 0.983 1
1 599 . 9 1 1 A 55 55 CYS H H 55 7.871 7.825 0.046 1
1 600 . 9 1 1 A 55 55 CYS HA H 55 5.052 4.455 0.597 1
1 603 . 9 1 1 A 55 55 CYS C C 55 174.112 173.121 0.991 1
1 604 . 9 1 1 A 55 55 CYS CA C 55 60.352 58.590 1.762 1
1 605 . 9 1 1 A 55 55 CYS CB C 55 28.779 30.422 -1.643 1
1 606 . 9 1 1 A 55 55 CYS N N 55 117.748 119.110 -1.362 1
1 607 . 9 1 1 A 56 56 GLU H H 56 9.140 9.019 0.121 1
1 608 . 9 1 1 A 56 56 GLU HA H 56 4.672 4.840 -0.168 1
1 612 . 9 1 1 A 56 56 GLU C C 56 175.105 174.561 0.544 1
1 613 . 9 1 1 A 56 56 GLU CA C 56 55.179 55.386 -0.207 1
1 614 . 9 1 1 A 56 56 GLU CB C 56 33.097 33.363 -0.266 1
1 616 . 9 1 1 A 56 56 GLU N N 56 120.179 122.450 -2.271 1
1 617 . 9 1 1 A 57 57 VAL H H 57 8.385 8.876 -0.491 1
1 618 . 9 1 1 A 57 57 VAL HA H 57 5.238 4.886 0.352 1
1 626 . 9 1 1 A 57 57 VAL C C 57 175.238 175.847 -0.609 1
1 627 . 9 1 1 A 57 57 VAL CA C 57 61.064 62.323 -1.259 1
1 628 . 9 1 1 A 57 57 VAL CB C 57 33.429 31.825 1.604 1
1 631 . 9 1 1 A 57 57 VAL N N 57 122.535 127.397 -4.862 1
1 632 . 9 1 1 A 58 58 VAL H H 58 8.884 9.224 -0.340 1
1 633 . 9 1 1 A 58 58 VAL HA H 58 5.053 4.889 0.164 1
1 641 . 9 1 1 A 58 58 VAL C C 58 174.027 173.587 0.440 1
1 642 . 9 1 1 A 58 58 VAL CA C 58 57.977 57.939 0.038 1
1 643 . 9 1 1 A 58 58 VAL CB C 58 35.583 34.344 1.239 1
1 646 . 9 1 1 A 58 58 VAL N N 58 122.081 122.191 -0.110 1
1 647 . 9 1 1 A 59 59 PRO HA H 59 4.573 4.884 -0.311 1
1 654 . 9 1 1 A 59 59 PRO C C 59 175.457 175.225 0.232 1
1 655 . 9 1 1 A 59 59 PRO CA C 59 63.643 62.424 1.219 1
1 656 . 9 1 1 A 59 59 PRO CB C 59 32.915 30.253 2.662 1
1 659 . 9 1 1 A 60 60 ASP H H 60 8.989 8.461 0.528 1
1 660 . 9 1 1 A 60 60 ASP HA H 60 5.179 5.308 -0.129 1
1 663 . 9 1 1 A 60 60 ASP C C 60 172.742 174.162 -1.420 1
1 664 . 9 1 1 A 60 60 ASP CA C 60 52.698 50.911 1.787 1
1 665 . 9 1 1 A 60 60 ASP CB C 60 43.314 41.339 1.975 1
1 666 . 9 1 1 A 60 60 ASP N N 60 122.718 123.905 -1.187 1
1 667 . 9 1 1 A 61 61 PRO HA H 61 4.681 4.983 -0.302 1
1 674 . 9 1 1 A 61 61 PRO C C 61 177.420 175.327 2.093 1
1 675 . 9 1 1 A 61 61 PRO CA C 61 63.594 62.521 1.073 1
1 676 . 9 1 1 A 61 61 PRO CB C 61 32.950 32.634 0.316 1
1 679 . 9 1 1 A 62 62 SER H H 62 7.803 8.201 -0.398 1
1 680 . 9 1 1 A 62 62 SER HA H 62 4.797 5.018 -0.221 1
1 683 . 9 1 1 A 62 62 SER C C 62 174.851 174.839 0.012 1
1 684 . 9 1 1 A 62 62 SER CA C 62 56.896 55.857 1.039 1
1 685 . 9 1 1 A 62 62 SER CB C 62 63.959 65.068 -1.109 1
1 686 . 9 1 1 A 62 62 SER N N 62 115.582 115.800 -0.218 1
1 687 . 9 1 1 A 63 63 PRO HA H 63 4.089 4.478 -0.389 1
1 694 . 9 1 1 A 63 63 PRO C C 63 177.105 176.133 0.972 1
1 695 . 9 1 1 A 63 63 PRO CA C 63 66.024 64.146 1.878 1
1 696 . 9 1 1 A 63 63 PRO CB C 63 31.763 31.525 0.238 1
1 699 . 9 1 1 A 64 64 ASP H H 64 8.361 8.284 0.077 1
1 700 . 9 1 1 A 64 64 ASP HA H 64 4.290 4.745 -0.455 1
1 703 . 9 1 1 A 64 64 ASP C C 64 174.802 175.523 -0.721 1
1 704 . 9 1 1 A 64 64 ASP CA C 64 54.458 54.202 0.256 1
1 705 . 9 1 1 A 64 64 ASP CB C 64 40.481 43.039 -2.558 1
1 706 . 9 1 1 A 64 64 ASP N N 64 111.867 117.267 -5.400 1
1 707 . 9 1 1 A 65 65 HIS H H 65 7.781 7.322 0.459 1
1 708 . 9 1 1 A 65 65 HIS HA H 65 4.558 4.618 -0.060 1
1 713 . 9 1 1 A 65 65 HIS C C 65 174.972 174.584 0.388 1
1 714 . 9 1 1 A 65 65 HIS CA C 65 54.370 54.429 -0.059 1
1 715 . 9 1 1 A 65 65 HIS CB C 65 28.450 31.970 -3.520 1
1 718 . 9 1 1 A 65 65 HIS N N 65 120.793 116.621 4.172 1
1 719 . 9 1 1 A 66 66 LEU H H 66 8.206 8.082 0.124 1
1 720 . 9 1 1 A 66 66 LEU HA H 66 3.893 4.266 -0.373 1
1 730 . 9 1 1 A 66 66 LEU C C 66 178.826 176.285 2.541 1
1 731 . 9 1 1 A 66 66 LEU CA C 66 57.857 54.350 3.507 1
1 732 . 9 1 1 A 66 66 LEU CB C 66 42.245 41.464 0.781 1
1 736 . 9 1 1 A 66 66 LEU N N 66 124.390 124.724 -0.334 1
1 737 . 9 1 1 A 67 67 TYR H H 67 8.612 7.575 1.037 1
1 738 . 9 1 1 A 67 67 TYR HA H 67 5.417 4.888 0.529 1
1 745 . 9 1 1 A 67 67 TYR C C 67 176.403 174.841 1.562 1
1 746 . 9 1 1 A 67 67 TYR CA C 67 55.320 57.309 -1.989 1
1 747 . 9 1 1 A 67 67 TYR CB C 67 35.524 37.876 -2.352 1
1 752 . 9 1 1 A 67 67 TYR N N 67 118.042 119.619 -1.577 1
1 753 . 9 1 1 A 68 68 SER H H 68 6.652 7.841 -1.189 1
1 754 . 9 1 1 A 68 68 SER HA H 68 5.742 5.343 0.399 1
1 757 . 9 1 1 A 68 68 SER C C 68 174.827 173.748 1.079 1
1 758 . 9 1 1 A 68 68 SER CA C 68 56.147 56.414 -0.267 1
1 759 . 9 1 1 A 68 68 SER CB C 68 65.504 65.725 -0.221 1
1 760 . 9 1 1 A 68 68 SER N N 68 111.076 113.114 -2.038 1
1 761 . 9 1 1 A 69 69 PHE H H 69 9.089 8.373 0.716 1
1 762 . 9 1 1 A 69 69 PHE HA H 69 5.212 5.694 -0.482 1
1 770 . 9 1 1 A 69 69 PHE C C 69 171.676 172.899 -1.223 1
1 771 . 9 1 1 A 69 69 PHE CA C 69 55.918 55.422 0.496 1
1 772 . 9 1 1 A 69 69 PHE CB C 69 41.034 41.934 -0.900 1
1 778 . 9 1 1 A 69 69 PHE N N 69 121.539 118.568 2.971 1
1 779 . 9 1 1 A 70 70 ARG H H 70 9.299 9.040 0.259 1
1 780 . 9 1 1 A 70 70 ARG HA H 70 5.333 5.185 0.148 1
1 787 . 9 1 1 A 70 70 ARG C C 70 174.197 174.147 0.050 1
1 788 . 9 1 1 A 70 70 ARG CA C 70 54.198 54.422 -0.224 1
1 789 . 9 1 1 A 70 70 ARG CB C 70 35.236 34.187 1.049 1
1 792 . 9 1 1 A 70 70 ARG N N 70 117.458 118.314 -0.856 1
1 794 . 9 1 1 A 71 71 ILE H H 71 8.505 8.519 -0.014 1
1 795 . 9 1 1 A 71 71 ILE HA H 71 4.974 5.221 -0.247 1
1 805 . 9 1 1 A 71 71 ILE C C 71 174.996 175.202 -0.206 1
1 806 . 9 1 1 A 71 71 ILE CA C 71 60.622 59.527 1.095 1
1 807 . 9 1 1 A 71 71 ILE CB C 71 39.636 40.270 -0.634 1
1 811 . 9 1 1 A 71 71 ILE N N 71 119.757 122.836 -3.079 1
1 812 . 9 1 1 A 72 72 LEU H H 72 9.488 9.289 0.199 1
1 813 . 9 1 1 A 72 72 LEU HA H 72 5.473 5.498 -0.025 1
1 823 . 9 1 1 A 72 72 LEU C C 72 176.172 175.336 0.836 1
1 824 . 9 1 1 A 72 72 LEU CA C 72 53.507 54.161 -0.654 1
1 825 . 9 1 1 A 72 72 LEU CB C 72 46.393 45.984 0.409 1
1 829 . 9 1 1 A 72 72 LEU N N 72 128.277 125.659 2.618 1
1 830 . 9 1 1 A 73 73 HIS H H 73 9.087 9.192 -0.105 1
1 831 . 9 1 1 A 73 73 HIS HA H 73 4.888 4.948 -0.060 1
1 836 . 9 1 1 A 73 73 HIS C C 73 175.118 174.356 0.762 1
1 837 . 9 1 1 A 73 73 HIS CA C 73 56.675 55.500 1.175 1
1 838 . 9 1 1 A 73 73 HIS CB C 73 32.933 32.349 0.584 1
1 841 . 9 1 1 A 73 73 HIS N N 73 119.084 123.056 -3.972 1
1 842 . 9 1 1 A 74 74 LYS H H 74 9.551 9.845 -0.294 1
1 843 . 9 1 1 A 74 74 LYS HA H 74 3.763 3.873 -0.110 1
1 852 . 9 1 1 A 74 74 LYS C C 74 176.851 176.780 0.071 1
1 853 . 9 1 1 A 74 74 LYS CA C 74 56.969 57.609 -0.640 1
1 854 . 9 1 1 A 74 74 LYS CB C 74 29.766 29.878 -0.112 1
1 858 . 9 1 1 A 74 74 LYS N N 74 128.764 128.552 0.212 1
1 859 . 9 1 1 A 75 75 GLY H H 75 8.877 8.594 0.283 1
1 860 . 9 1 1 A 75 75 GLY HA2 H 75 3.523 3.861 -0.338 1
1 861 . 9 1 1 A 75 75 GLY HA3 H 75 4.213 3.866 0.347 1
1 862 . 9 1 1 A 75 75 GLY C C 75 173.566 173.715 -0.149 1
1 863 . 9 1 1 A 75 75 GLY CA C 75 45.346 45.450 -0.104 1
1 864 . 9 1 1 A 75 75 GLY N N 75 104.552 105.317 -0.765 1
1 865 . 9 1 1 A 76 76 GLU H H 76 7.922 7.970 -0.048 1
1 866 . 9 1 1 A 76 76 GLU HA H 76 4.491 4.710 -0.219 1
1 871 . 9 1 1 A 76 76 GLU C C 76 175.651 175.208 0.443 1
1 872 . 9 1 1 A 76 76 GLU CA C 76 54.721 54.880 -0.159 1
1 873 . 9 1 1 A 76 76 GLU CB C 76 31.187 31.386 -0.199 1
1 875 . 9 1 1 A 76 76 GLU N N 76 121.492 120.504 0.988 1
1 876 . 9 1 1 A 77 77 GLU H H 77 8.925 8.803 0.122 1
1 877 . 9 1 1 A 77 77 GLU HA H 77 4.309 4.529 -0.220 1
1 881 . 9 1 1 A 77 77 GLU C C 77 175.857 175.836 0.021 1
1 882 . 9 1 1 A 77 77 GLU CA C 77 57.412 56.875 0.537 1
1 883 . 9 1 1 A 77 77 GLU CB C 77 31.146 30.593 0.553 1
1 885 . 9 1 1 A 77 77 GLU N N 77 125.541 123.182 2.359 1
1 886 . 9 1 1 A 78 78 LEU H H 78 9.475 8.776 0.699 1
1 887 . 9 1 1 A 78 78 LEU HA H 78 4.513 4.444 0.069 1
1 897 . 9 1 1 A 78 78 LEU C C 78 177.541 176.638 0.903 1
1 898 . 9 1 1 A 78 78 LEU CA C 78 55.443 55.980 -0.537 1
1 899 . 9 1 1 A 78 78 LEU CB C 78 43.776 43.142 0.634 1
1 903 . 9 1 1 A 78 78 LEU N N 78 128.715 127.674 1.041 1
1 904 . 9 1 1 A 79 79 ALA H H 79 7.550 7.497 0.053 1
1 905 . 9 1 1 A 79 79 ALA HA H 79 4.503 4.563 -0.060 1
1 909 . 9 1 1 A 79 79 ALA C C 79 174.342 175.217 -0.875 1
1 910 . 9 1 1 A 79 79 ALA CA C 79 51.906 51.500 0.406 1
1 911 . 9 1 1 A 79 79 ALA CB C 79 22.017 22.375 -0.358 1
1 912 . 9 1 1 A 79 79 ALA N N 79 116.317 116.375 -0.058 1
1 913 . 9 1 1 A 80 80 LYS H H 80 8.743 8.602 0.141 1
1 914 . 9 1 1 A 80 80 LYS HA H 80 4.725 4.885 -0.160 1
1 923 . 9 1 1 A 80 80 LYS C C 80 172.973 174.433 -1.460 1
1 924 . 9 1 1 A 80 80 LYS CA C 80 56.604 55.491 1.113 1
1 925 . 9 1 1 A 80 80 LYS CB C 80 34.331 36.239 -1.908 1
1 929 . 9 1 1 A 80 80 LYS N N 80 123.623 119.489 4.134 1
1 930 . 9 1 1 A 81 81 LEU H H 81 8.504 8.796 -0.292 1
1 931 . 9 1 1 A 81 81 LEU HA H 81 5.531 5.398 0.133 1
1 941 . 9 1 1 A 81 81 LEU C C 81 176.366 175.285 1.081 1
1 942 . 9 1 1 A 81 81 LEU CA C 81 53.665 53.111 0.554 1
1 943 . 9 1 1 A 81 81 LEU CB C 81 45.969 45.332 0.637 1
1 947 . 9 1 1 A 81 81 LEU N N 81 124.594 127.915 -3.321 1
1 948 . 9 1 1 A 82 82 GLU H H 82 9.018 8.397 0.621 1
1 949 . 9 1 1 A 82 82 GLU HA H 82 4.826 4.489 0.337 1
1 954 . 9 1 1 A 82 82 GLU C C 82 174.439 175.606 -1.167 1
1 955 . 9 1 1 A 82 82 GLU CA C 82 56.376 54.683 1.693 1
1 956 . 9 1 1 A 82 82 GLU CB C 82 32.852 32.794 0.058 1
1 958 . 9 1 1 A 82 82 GLU N N 82 118.819 121.160 -2.341 1
1 959 . 9 1 1 A 83 83 ALA H H 83 8.027 8.942 -0.915 1
1 960 . 9 1 1 A 83 83 ALA HA H 83 4.980 4.539 0.441 1
1 964 . 9 1 1 A 83 83 ALA C C 83 176.439 178.825 -2.386 1
1 965 . 9 1 1 A 83 83 ALA CA C 83 50.059 51.094 -1.035 1
1 966 . 9 1 1 A 83 83 ALA CB C 83 21.702 20.456 1.246 1
1 967 . 9 1 1 A 83 83 ALA N N 83 127.765 128.416 -0.651 1
1 968 . 9 1 1 A 84 84 LYS H H 84 9.017 9.011 0.006 1
1 969 . 9 1 1 A 84 84 LYS HA H 84 4.432 4.559 -0.127 1
1 977 . 9 1 1 A 84 84 LYS C C 84 175.930 176.226 -0.296 1
1 978 . 9 1 1 A 84 84 LYS CA C 84 56.956 56.630 0.326 1
1 979 . 9 1 1 A 84 84 LYS CB C 84 32.974 34.175 -1.201 1
1 983 . 9 1 1 A 84 84 LYS N N 84 115.456 116.599 -1.143 1
1 984 . 9 1 1 A 85 85 SER H H 85 7.324 7.543 -0.219 1
1 985 . 9 1 1 A 85 85 SER HA H 85 4.074 4.231 -0.157 1
1 988 . 9 1 1 A 85 85 SER C C 85 173.421 173.871 -0.450 1
1 989 . 9 1 1 A 85 85 SER CA C 85 56.038 55.264 0.774 1
1 990 . 9 1 1 A 85 85 SER CB C 85 66.506 67.040 -0.534 1
1 991 . 9 1 1 A 85 85 SER N N 85 110.261 112.340 -2.079 1
1 992 . 9 1 1 A 86 86 SER H H 86 8.610 7.985 0.625 1
1 993 . 9 1 1 A 86 86 SER HA H 86 3.648 3.934 -0.286 1
1 996 . 9 1 1 A 86 86 SER C C 86 177.784 176.316 1.468 1
1 997 . 9 1 1 A 86 86 SER CA C 86 61.391 61.773 -0.382 1
1 998 . 9 1 1 A 86 86 SER CB C 86 62.378 62.791 -0.413 1
1 999 . 9 1 1 A 86 86 SER N N 86 117.136 117.158 -0.022 1
1 1000 . 9 1 1 A 87 87 GLU H H 87 8.890 7.694 1.196 1
1 1001 . 9 1 1 A 87 87 GLU HA H 87 4.031 4.021 0.010 1
1 1006 . 9 1 1 A 87 87 GLU C C 87 179.492 179.120 0.372 1
1 1007 . 9 1 1 A 87 87 GLU CA C 87 59.983 59.471 0.512 1
1 1008 . 9 1 1 A 87 87 GLU CB C 87 28.969 29.590 -0.621 1
1 1010 . 9 1 1 A 87 87 GLU N N 87 123.189 122.299 0.890 1
1 1011 . 9 1 1 A 88 88 GLU H H 88 8.015 8.023 -0.008 1
1 1012 . 9 1 1 A 88 88 GLU HA H 88 4.243 4.152 0.091 1
1 1017 . 9 1 1 A 88 88 GLU C C 88 178.472 178.808 -0.336 1
1 1018 . 9 1 1 A 88 88 GLU CA C 88 59.642 59.404 0.238 1
1 1019 . 9 1 1 A 88 88 GLU CB C 88 31.016 29.306 1.710 1
1 1021 . 9 1 1 A 88 88 GLU N N 88 121.015 120.349 0.666 1
1 1022 . 9 1 1 A 89 89 MET H H 89 8.334 8.469 -0.135 1
1 1023 . 9 1 1 A 89 89 MET HA H 89 3.843 4.319 -0.476 1
1 1030 . 9 1 1 A 89 89 MET C C 89 177.396 178.681 -1.285 1
1 1031 . 9 1 1 A 89 89 MET CA C 89 60.458 58.058 2.400 1
1 1032 . 9 1 1 A 89 89 MET CB C 89 32.481 32.537 -0.056 1
1 1035 . 9 1 1 A 89 89 MET N N 89 119.764 118.936 0.828 1
1 1036 . 9 1 1 A 90 90 GLY H H 90 8.452 8.213 0.239 1
1 1037 . 9 1 1 A 90 90 GLY HA2 H 90 4.008 3.731 0.277 1
1 1038 . 9 1 1 A 90 90 GLY HA3 H 90 3.723 3.750 -0.027 1
1 1039 . 9 1 1 A 90 90 GLY C C 90 176.814 175.475 1.339 1
1 1040 . 9 1 1 A 90 90 GLY CA C 90 47.489 46.801 0.688 1
1 1041 . 9 1 1 A 90 90 GLY N N 90 105.180 108.519 -3.339 1
1 1042 . 9 1 1 A 91 91 HIS H H 91 7.919 8.083 -0.164 1
1 1043 . 9 1 1 A 91 91 HIS HA H 91 4.329 4.231 0.098 1
1 1048 . 9 1 1 A 91 91 HIS C C 91 178.208 176.944 1.264 1
1 1049 . 9 1 1 A 91 91 HIS CA C 91 59.367 58.642 0.725 1
1 1050 . 9 1 1 A 91 91 HIS CB C 91 30.612 30.147 0.465 1
1 1053 . 9 1 1 A 91 91 HIS N N 91 121.929 121.141 0.788 1
1 1054 . 9 1 1 A 92 92 TRP H H 92 8.199 7.407 0.792 1
1 1055 . 9 1 1 A 92 92 TRP HA H 92 3.829 4.260 -0.431 1
1 1064 . 9 1 1 A 92 92 TRP C C 92 178.257 178.453 -0.196 1
1 1065 . 9 1 1 A 92 92 TRP CA C 92 62.464 59.556 2.908 1
1 1066 . 9 1 1 A 92 92 TRP CB C 92 29.190 29.851 -0.661 1
1 1072 . 9 1 1 A 92 92 TRP N N 92 120.070 117.934 2.136 1
1 1074 . 9 1 1 A 93 93 LEU H H 93 8.740 8.037 0.703 1
1 1075 . 9 1 1 A 93 93 LEU HA H 93 3.695 3.682 0.013 1
1 1085 . 9 1 1 A 93 93 LEU C C 93 179.105 179.190 -0.085 1
1 1086 . 9 1 1 A 93 93 LEU CA C 93 59.076 58.247 0.829 1
1 1087 . 9 1 1 A 93 93 LEU CB C 93 40.993 41.660 -0.667 1
1 1091 . 9 1 1 A 93 93 LEU N N 93 119.445 120.131 -0.686 1
1 1092 . 9 1 1 A 94 94 GLY H H 94 7.616 8.022 -0.406 1
1 1093 . 9 1 1 A 94 94 GLY HA2 H 94 3.852 3.586 0.266 1
1 1094 . 9 1 1 A 94 94 GLY HA3 H 94 3.759 3.610 0.149 1
1 1095 . 9 1 1 A 94 94 GLY C C 94 176.693 175.392 1.301 1
1 1096 . 9 1 1 A 94 94 GLY CA C 94 47.120 47.214 -0.094 1
1 1097 . 9 1 1 A 94 94 GLY N N 94 102.951 105.458 -2.507 1
1 1098 . 9 1 1 A 95 95 LEU H H 95 7.853 7.979 -0.126 1
1 1099 . 9 1 1 A 95 95 LEU HA H 95 4.024 3.794 0.230 1
1 1109 . 9 1 1 A 95 95 LEU C C 95 179.589 178.313 1.276 1
1 1110 . 9 1 1 A 95 95 LEU CA C 95 57.678 57.857 -0.179 1
1 1111 . 9 1 1 A 95 95 LEU CB C 95 42.533 41.649 0.884 1
1 1115 . 9 1 1 A 95 95 LEU N N 95 123.479 122.751 0.728 1
1 1116 . 9 1 1 A 96 96 LEU H H 96 8.649 8.624 0.025 1
1 1117 . 9 1 1 A 96 96 LEU HA H 96 3.971 3.855 0.116 1
1 1127 . 9 1 1 A 96 96 LEU C C 96 179.068 179.241 -0.173 1
1 1128 . 9 1 1 A 96 96 LEU CA C 96 57.906 58.166 -0.260 1
1 1129 . 9 1 1 A 96 96 LEU CB C 96 42.104 41.432 0.672 1
1 1133 . 9 1 1 A 96 96 LEU N N 96 118.046 118.741 -0.695 1
1 1134 . 9 1 1 A 97 97 LEU H H 97 8.198 8.133 0.065 1
1 1135 . 9 1 1 A 97 97 LEU HA H 97 4.234 3.986 0.248 1
1 1145 . 9 1 1 A 97 97 LEU C C 97 180.177 178.929 1.248 1
1 1146 . 9 1 1 A 97 97 LEU CA C 97 57.361 58.048 -0.687 1
1 1147 . 9 1 1 A 97 97 LEU CB C 97 41.611 41.444 0.167 1
1 1151 . 9 1 1 A 97 97 LEU N N 97 118.670 118.932 -0.262 1
1 1152 . 9 1 1 A 98 98 SER H H 98 7.818 8.184 -0.366 1
1 1153 . 9 1 1 A 98 98 SER HA H 98 4.328 3.997 0.331 1
1 1156 . 9 1 1 A 98 98 SER C C 98 176.863 177.274 -0.411 1
1 1157 . 9 1 1 A 98 98 SER CA C 98 61.004 61.593 -0.589 1
1 1158 . 9 1 1 A 98 98 SER CB C 98 63.322 62.811 0.511 1
1 1159 . 9 1 1 A 98 98 SER N N 98 115.679 113.470 2.209 1
1 1160 . 9 1 1 A 99 99 GLU H H 99 8.003 7.559 0.444 1
1 1161 . 9 1 1 A 99 99 GLU HA H 99 4.193 4.039 0.154 1
1 1166 . 9 1 1 A 99 99 GLU C C 99 177.226 178.557 -1.331 1
1 1167 . 9 1 1 A 99 99 GLU CA C 99 57.449 59.043 -1.594 1
1 1168 . 9 1 1 A 99 99 GLU CB C 99 30.260 29.922 0.338 1
1 1170 . 9 1 1 A 99 99 GLU N N 99 120.518 122.050 -1.532 1
1 1171 . 9 1 1 A 100 100 SER H H 100 7.892 8.493 -0.601 1
1 1172 . 9 1 1 A 100 100 SER HA H 100 4.582 4.120 0.462 1
1 1175 . 9 1 1 A 100 100 SER C C 100 175.881 175.344 0.537 1
1 1176 . 9 1 1 A 100 100 SER CA C 100 59.561 61.018 -1.457 1
1 1177 . 9 1 1 A 100 100 SER CB C 100 64.188 61.934 2.254 1
1 1178 . 9 1 1 A 100 100 SER N N 100 113.686 114.277 -0.591 1
1 1179 . 9 1 1 A 101 101 GLY H H 101 7.861 8.143 -0.282 1
1 1180 . 9 1 1 A 101 101 GLY HA2 H 101 4.114 3.945 0.169 1
1 1181 . 9 1 1 A 101 101 GLY HA3 H 101 4.063 3.948 0.115 1
1 1182 . 9 1 1 A 101 101 GLY C C 101 174.076 173.603 0.473 1
1 1183 . 9 1 1 A 101 101 GLY CA C 101 45.501 46.713 -1.212 1
1 1184 . 9 1 1 A 101 101 GLY N N 101 109.148 108.421 0.727 1
1 1185 . 9 1 1 A 102 102 SER H H 102 8.260 8.186 0.074 1
1 1186 . 9 1 1 A 102 102 SER HA H 102 4.543 4.959 -0.416 1
1 1189 . 9 1 1 A 102 102 SER C C 102 174.851 174.189 0.662 1
1 1190 . 9 1 1 A 102 102 SER CA C 102 58.646 57.760 0.886 1
1 1191 . 9 1 1 A 102 102 SER CB C 102 64.211 63.155 1.056 1
1 1192 . 9 1 1 A 102 102 SER N N 102 116.298 117.688 -1.390 1
1 1193 . 9 1 1 A 103 103 GLY H H 103 8.252 8.247 0.005 1
1 1194 . 9 1 1 A 103 103 GLY HA2 H 103 4.173 4.224 -0.051 1
1 1195 . 9 1 1 A 103 103 GLY HA3 H 103 4.074 4.224 -0.150 1
1 1196 . 9 1 1 A 103 103 GLY C C 103 171.773 174.069 -2.296 1
1 1197 . 9 1 1 A 103 103 GLY CA C 103 44.777 45.255 -0.478 1
1 1198 . 9 1 1 A 103 103 GLY N N 103 110.162 111.128 -0.966 1
1 1199 . 9 1 1 A 104 104 PRO HA H 104 4.515 4.411 0.104 1
1 1206 . 9 1 1 A 104 104 PRO CA C 104 63.224 64.759 -1.535 1
1 1207 . 9 1 1 A 104 104 PRO CB C 104 32.174 32.047 0.127 1
1 1210 . 9 1 1 A 105 105 SER H H 105 8.559 7.823 0.736 1
1 1211 . 9 1 1 A 105 105 SER CA C 105 60.998 57.297 3.701 1
1 1212 . 9 1 1 A 105 105 SER CB C 105 63.768 64.494 -0.726 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.952 4.208 -0.256 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.952 4.239 -0.287 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.197 171.923 2.274 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.378 44.699 0.679 1
1 5 . 10 1 1 A 8 8 LEU H H 8 8.030 8.745 -0.715 1
1 6 . 10 1 1 A 8 8 LEU HA H 8 4.321 4.906 -0.585 1
1 16 . 10 1 1 A 8 8 LEU C C 8 177.468 175.793 1.675 1
1 17 . 10 1 1 A 8 8 LEU CA C 8 55.320 53.831 1.489 1
1 18 . 10 1 1 A 8 8 LEU CB C 8 42.556 45.749 -3.193 1
1 22 . 10 1 1 A 8 8 LEU N N 8 121.494 125.115 -3.621 1
1 23 . 10 1 1 A 9 9 GLU H H 9 8.577 8.539 0.038 1
1 24 . 10 1 1 A 9 9 GLU HA H 9 4.454 4.284 0.170 1
1 29 . 10 1 1 A 9 9 GLU C C 9 177.056 178.140 -1.084 1
1 30 . 10 1 1 A 9 9 GLU CA C 9 56.956 56.907 0.049 1
1 31 . 10 1 1 A 9 9 GLU CB C 9 30.237 30.645 -0.408 1
1 33 . 10 1 1 A 9 9 GLU N N 9 121.449 125.706 -4.257 1
1 34 . 10 1 1 A 10 10 THR H H 10 8.189 8.672 -0.483 1
1 35 . 10 1 1 A 10 10 THR HA H 10 4.323 3.775 0.548 1
1 40 . 10 1 1 A 10 10 THR CA C 10 62.062 65.547 -3.485 1
1 41 . 10 1 1 A 10 10 THR CB C 10 69.441 68.274 1.167 1
1 43 . 10 1 1 A 10 10 THR N N 10 113.730 116.831 -3.101 1
1 44 . 10 1 1 A 11 11 SER H H 11 7.883 7.765 0.118 1
1 45 . 10 1 1 A 11 11 SER HA H 11 5.249 4.664 0.585 1
1 48 . 10 1 1 A 11 11 SER CA C 11 57.852 58.411 -0.559 1
1 49 . 10 1 1 A 11 11 SER CB C 11 65.426 63.341 2.085 1
1 50 . 10 1 1 A 12 12 SER H H 12 8.413 9.004 -0.591 1
1 51 . 10 1 1 A 12 12 SER HA H 12 4.467 4.860 -0.393 1
1 54 . 10 1 1 A 12 12 SER CA C 12 58.741 56.495 2.246 1
1 55 . 10 1 1 A 12 12 SER CB C 12 65.239 66.058 -0.819 1
1 56 . 10 1 1 A 12 12 SER N N 12 116.995 118.609 -1.614 1
1 57 . 10 1 1 A 13 13 TYR H H 13 8.156 7.989 0.167 1
1 58 . 10 1 1 A 13 13 TYR HA H 13 4.936 4.871 0.065 1
1 65 . 10 1 1 A 13 13 TYR CA C 13 58.533 56.255 2.278 1
1 68 . 10 1 1 A 13 13 TYR N N 13 121.972 118.946 3.026 1
1 69 . 10 1 1 A 14 14 LEU H H 14 8.803 8.350 0.453 1
1 70 . 10 1 1 A 14 14 LEU HA H 14 4.573 4.801 -0.228 1
1 80 . 10 1 1 A 14 14 LEU C C 14 175.845 175.782 0.063 1
1 81 . 10 1 1 A 14 14 LEU CA C 14 54.141 53.300 0.841 1
1 82 . 10 1 1 A 14 14 LEU CB C 14 46.603 42.875 3.728 1
1 86 . 10 1 1 A 14 14 LEU N N 14 123.967 126.787 -2.820 1
1 87 . 10 1 1 A 15 15 ASN H H 15 8.090 8.564 -0.474 1
1 88 . 10 1 1 A 15 15 ASN HA H 15 5.669 5.274 0.395 1
1 93 . 10 1 1 A 15 15 ASN C C 15 174.972 174.146 0.826 1
1 94 . 10 1 1 A 15 15 ASN CA C 15 51.589 52.419 -0.830 1
1 95 . 10 1 1 A 15 15 ASN CB C 15 40.317 39.490 0.827 1
1 96 . 10 1 1 A 15 15 ASN N N 15 117.248 119.067 -1.819 1
1 98 . 10 1 1 A 16 16 VAL H H 16 9.452 8.356 1.096 1
1 99 . 10 1 1 A 16 16 VAL HA H 16 4.743 4.710 0.033 1
1 107 . 10 1 1 A 16 16 VAL C C 16 174.269 176.239 -1.970 1
1 108 . 10 1 1 A 16 16 VAL CA C 16 60.574 62.091 -1.517 1
1 109 . 10 1 1 A 16 16 VAL CB C 16 35.194 32.446 2.748 1
1 112 . 10 1 1 A 16 16 VAL N N 16 122.909 125.876 -2.967 1
1 113 . 10 1 1 A 17 17 LEU H H 17 7.892 8.874 -0.982 1
1 114 . 10 1 1 A 17 17 LEU HA H 17 3.679 3.865 -0.186 1
1 124 . 10 1 1 A 17 17 LEU C C 17 175.747 175.150 0.597 1
1 125 . 10 1 1 A 17 17 LEU CA C 17 54.493 56.202 -1.709 1
1 126 . 10 1 1 A 17 17 LEU CB C 17 40.541 41.551 -1.010 1
1 130 . 10 1 1 A 17 17 LEU N N 17 130.093 130.982 -0.889 1
1 131 . 10 1 1 A 18 18 VAL H H 18 8.923 8.862 0.061 1
1 132 . 10 1 1 A 18 18 VAL HA H 18 4.053 4.304 -0.251 1
1 140 . 10 1 1 A 18 18 VAL C C 18 175.869 175.815 0.054 1
1 141 . 10 1 1 A 18 18 VAL CA C 18 61.285 61.219 0.066 1
1 142 . 10 1 1 A 18 18 VAL CB C 18 33.609 34.201 -0.592 1
1 145 . 10 1 1 A 18 18 VAL N N 18 130.417 128.326 2.091 1
1 146 . 10 1 1 A 19 19 ASN H H 19 9.323 9.401 -0.078 1
1 147 . 10 1 1 A 19 19 ASN HA H 19 4.232 4.307 -0.075 1
1 152 . 10 1 1 A 19 19 ASN C C 19 174.948 174.466 0.482 1
1 153 . 10 1 1 A 19 19 ASN CA C 19 54.809 54.564 0.245 1
1 154 . 10 1 1 A 19 19 ASN CB C 19 37.192 36.667 0.525 1
1 155 . 10 1 1 A 19 19 ASN N N 19 127.579 127.589 -0.010 1
1 157 . 10 1 1 A 20 20 SER H H 20 8.464 8.414 0.050 1
1 158 . 10 1 1 A 20 20 SER HA H 20 3.653 3.870 -0.217 1
1 161 . 10 1 1 A 20 20 SER C C 20 172.645 172.863 -0.218 1
1 162 . 10 1 1 A 20 20 SER CA C 20 60.458 59.678 0.780 1
1 163 . 10 1 1 A 20 20 SER CB C 20 62.584 61.076 1.508 1
1 164 . 10 1 1 A 20 20 SER N N 20 106.869 105.755 1.114 1
1 165 . 10 1 1 A 21 21 GLN H H 21 7.695 7.305 0.390 1
1 166 . 10 1 1 A 21 21 GLN HA H 21 4.591 4.686 -0.095 1
1 173 . 10 1 1 A 21 21 GLN C C 21 174.003 174.726 -0.723 1
1 174 . 10 1 1 A 21 21 GLN CA C 21 53.772 54.208 -0.436 1
1 175 . 10 1 1 A 21 21 GLN CB C 21 32.069 32.111 -0.042 1
1 177 . 10 1 1 A 21 21 GLN N N 21 120.372 117.898 2.474 1
1 179 . 10 1 1 A 22 22 TRP H H 22 8.743 8.692 0.051 1
1 180 . 10 1 1 A 22 22 TRP HA H 22 4.690 4.929 -0.239 1
1 189 . 10 1 1 A 22 22 TRP C C 22 176.863 176.042 0.821 1
1 190 . 10 1 1 A 22 22 TRP CA C 22 57.062 57.076 -0.014 1
1 191 . 10 1 1 A 22 22 TRP CB C 22 29.323 29.148 0.175 1
1 197 . 10 1 1 A 22 22 TRP N N 22 124.919 124.038 0.881 1
1 199 . 10 1 1 A 23 23 LYS H H 23 9.302 8.946 0.356 1
1 200 . 10 1 1 A 23 23 LYS HA H 23 4.798 4.816 -0.018 1
1 208 . 10 1 1 A 23 23 LYS C C 23 176.050 176.085 -0.035 1
1 209 . 10 1 1 A 23 23 LYS CA C 23 54.106 54.421 -0.315 1
1 210 . 10 1 1 A 23 23 LYS CB C 23 35.583 35.085 0.498 1
1 214 . 10 1 1 A 23 23 LYS N N 23 124.474 125.653 -1.179 1
1 215 . 10 1 1 A 24 24 SER H H 24 8.740 8.741 -0.001 1
1 216 . 10 1 1 A 24 24 SER HA H 24 5.035 4.727 0.308 1
1 219 . 10 1 1 A 24 24 SER C C 24 175.905 173.942 1.963 1
1 220 . 10 1 1 A 24 24 SER CA C 24 58.857 59.134 -0.277 1
1 221 . 10 1 1 A 24 24 SER CB C 24 63.489 63.453 0.036 1
1 222 . 10 1 1 A 24 24 SER N N 24 118.568 119.341 -0.773 1
1 223 . 10 1 1 A 25 25 ARG H H 25 9.302 8.745 0.557 1
1 224 . 10 1 1 A 25 25 ARG HA H 25 4.946 5.067 -0.121 1
1 231 . 10 1 1 A 25 25 ARG C C 25 173.724 174.184 -0.460 1
1 232 . 10 1 1 A 25 25 ARG CA C 25 54.440 55.102 -0.662 1
1 233 . 10 1 1 A 25 25 ARG CB C 25 34.825 34.589 0.236 1
1 236 . 10 1 1 A 25 25 ARG N N 25 126.895 123.915 2.980 1
1 237 . 10 1 1 A 26 26 TRP H H 26 8.668 8.891 -0.223 1
1 238 . 10 1 1 A 26 26 TRP HA H 26 4.780 5.158 -0.378 1
1 247 . 10 1 1 A 26 26 TRP C C 26 175.796 174.861 0.935 1
1 248 . 10 1 1 A 26 26 TRP CA C 26 57.555 55.872 1.683 1
1 249 . 10 1 1 A 26 26 TRP CB C 26 29.833 30.726 -0.893 1
1 255 . 10 1 1 A 26 26 TRP N N 26 123.493 127.638 -4.145 1
1 257 . 10 1 1 A 27 27 CYS H H 27 8.884 8.538 0.346 1
1 258 . 10 1 1 A 27 27 CYS HA H 27 5.668 5.025 0.643 1
1 261 . 10 1 1 A 27 27 CYS C C 27 174.560 174.366 0.194 1
1 262 . 10 1 1 A 27 27 CYS CA C 27 58.184 58.021 0.163 1
1 263 . 10 1 1 A 27 27 CYS CB C 27 31.516 29.084 2.432 1
1 264 . 10 1 1 A 27 27 CYS N N 27 124.947 127.450 -2.503 1
1 265 . 10 1 1 A 28 28 SER H H 28 8.566 9.079 -0.513 1
1 266 . 10 1 1 A 28 28 SER HA H 28 5.240 5.332 -0.092 1
1 269 . 10 1 1 A 28 28 SER C C 28 173.106 173.216 -0.110 1
1 270 . 10 1 1 A 28 28 SER CA C 28 57.027 57.057 -0.030 1
1 271 . 10 1 1 A 28 28 SER CB C 28 66.738 65.893 0.845 1
1 272 . 10 1 1 A 28 28 SER N N 28 114.751 118.931 -4.180 1
1 273 . 10 1 1 A 29 29 VAL H H 29 8.843 9.084 -0.241 1
1 274 . 10 1 1 A 29 29 VAL HA H 29 5.302 5.097 0.205 1
1 282 . 10 1 1 A 29 29 VAL C C 29 175.905 175.531 0.374 1
1 283 . 10 1 1 A 29 29 VAL CA C 29 61.233 61.473 -0.240 1
1 284 . 10 1 1 A 29 29 VAL CB C 29 32.832 33.387 -0.555 1
1 287 . 10 1 1 A 29 29 VAL N N 29 125.688 127.890 -2.202 1
1 288 . 10 1 1 A 30 30 ARG H H 30 8.964 9.031 -0.067 1
1 289 . 10 1 1 A 30 30 ARG HA H 30 4.620 4.537 0.083 1
1 295 . 10 1 1 A 30 30 ARG C C 30 176.160 174.601 1.559 1
1 296 . 10 1 1 A 30 30 ARG CA C 30 55.901 56.328 -0.427 1
1 297 . 10 1 1 A 30 30 ARG CB C 30 33.198 33.052 0.146 1
1 300 . 10 1 1 A 30 30 ARG N N 30 125.513 125.540 -0.027 1
1 301 . 10 1 1 A 31 31 ASP H H 31 9.773 9.424 0.349 1
1 302 . 10 1 1 A 31 31 ASP HA H 31 4.451 4.399 0.052 1
1 305 . 10 1 1 A 31 31 ASP C C 31 177.008 175.588 1.420 1
1 306 . 10 1 1 A 31 31 ASP CA C 31 55.936 55.614 0.322 1
1 307 . 10 1 1 A 31 31 ASP CB C 31 39.659 39.492 0.167 1
1 308 . 10 1 1 A 31 31 ASP N N 31 127.085 126.789 0.296 1
1 309 . 10 1 1 A 32 32 ASN H H 32 9.639 8.640 0.999 1
1 310 . 10 1 1 A 32 32 ASN HA H 32 4.535 4.329 0.206 1
1 315 . 10 1 1 A 32 32 ASN C C 32 172.766 173.726 -0.960 1
1 316 . 10 1 1 A 32 32 ASN CA C 32 55.549 54.667 0.882 1
1 317 . 10 1 1 A 32 32 ASN CB C 32 38.238 37.062 1.176 1
1 318 . 10 1 1 A 32 32 ASN N N 32 112.101 108.667 3.434 1
1 320 . 10 1 1 A 33 33 HIS H H 33 8.292 7.852 0.440 1
1 321 . 10 1 1 A 33 33 HIS HA H 33 5.368 5.546 -0.178 1
1 326 . 10 1 1 A 33 33 HIS C C 33 172.718 173.418 -0.700 1
1 327 . 10 1 1 A 33 33 HIS CA C 33 55.303 54.616 0.687 1
1 328 . 10 1 1 A 33 33 HIS CB C 33 32.851 34.212 -1.361 1
1 331 . 10 1 1 A 33 33 HIS N N 33 116.294 116.378 -0.084 1
1 332 . 10 1 1 A 34 34 LEU H H 34 8.987 9.224 -0.237 1
1 333 . 10 1 1 A 34 34 LEU HA H 34 4.784 4.988 -0.204 1
1 342 . 10 1 1 A 34 34 LEU C C 34 173.240 175.200 -1.960 1
1 343 . 10 1 1 A 34 34 LEU CA C 34 53.719 53.712 0.007 1
1 344 . 10 1 1 A 34 34 LEU CB C 34 45.147 43.777 1.370 1
1 348 . 10 1 1 A 34 34 LEU N N 34 122.961 125.390 -2.429 1
1 349 . 10 1 1 A 35 35 HIS H H 35 9.169 9.719 -0.550 1
1 350 . 10 1 1 A 35 35 HIS HA H 35 4.713 5.139 -0.426 1
1 355 . 10 1 1 A 35 35 HIS C C 35 174.778 175.096 -0.318 1
1 356 . 10 1 1 A 35 35 HIS CA C 35 55.284 56.252 -0.968 1
1 357 . 10 1 1 A 35 35 HIS CB C 35 34.455 32.028 2.427 1
1 360 . 10 1 1 A 35 35 HIS N N 35 125.201 126.210 -1.009 1
1 361 . 10 1 1 A 36 36 PHE H H 36 9.522 8.909 0.613 1
1 362 . 10 1 1 A 36 36 PHE HA H 36 5.014 5.268 -0.254 1
1 370 . 10 1 1 A 36 36 PHE C C 36 174.911 173.990 0.921 1
1 371 . 10 1 1 A 36 36 PHE CA C 36 56.217 56.459 -0.242 1
1 372 . 10 1 1 A 36 36 PHE CB C 36 43.666 43.091 0.575 1
1 378 . 10 1 1 A 36 36 PHE N N 36 118.294 118.465 -0.171 1
1 379 . 10 1 1 A 37 37 TYR H H 37 9.783 8.951 0.832 1
1 380 . 10 1 1 A 37 37 TYR HA H 37 5.453 5.106 0.347 1
1 387 . 10 1 1 A 37 37 TYR C C 37 176.475 175.506 0.969 1
1 388 . 10 1 1 A 37 37 TYR CA C 37 57.185 56.720 0.465 1
1 389 . 10 1 1 A 37 37 TYR CB C 37 41.569 43.717 -2.148 1
1 394 . 10 1 1 A 37 37 TYR N N 37 121.241 120.643 0.598 1
1 395 . 10 1 1 A 38 38 GLN H H 38 9.233 8.480 0.753 1
1 396 . 10 1 1 A 38 38 GLN HA H 38 4.480 4.702 -0.222 1
1 403 . 10 1 1 A 38 38 GLN C C 38 175.408 175.504 -0.096 1
1 404 . 10 1 1 A 38 38 GLN CA C 38 57.977 57.001 0.976 1
1 405 . 10 1 1 A 38 38 GLN CB C 38 29.825 30.813 -0.988 1
1 407 . 10 1 1 A 38 38 GLN N N 38 119.348 120.360 -1.012 1
1 409 . 10 1 1 A 39 39 ASP H H 39 8.674 7.902 0.772 1
1 410 . 10 1 1 A 39 39 ASP HA H 39 4.849 4.950 -0.101 1
1 413 . 10 1 1 A 39 39 ASP CA C 39 52.402 53.091 -0.689 1
1 414 . 10 1 1 A 39 39 ASP CB C 39 43.525 41.979 1.546 1
1 415 . 10 1 1 A 40 40 ARG H H 40 7.823 8.530 -0.707 1
1 416 . 10 1 1 A 40 40 ARG HA H 40 2.342 3.726 -1.384 1
1 423 . 10 1 1 A 40 40 ARG CA C 40 57.183 55.738 1.445 1
1 424 . 10 1 1 A 40 40 ARG CB C 40 29.300 30.770 -1.470 1
1 427 . 10 1 1 A 40 40 ARG N N 40 119.412 120.825 -1.413 1
1 428 . 10 1 1 A 41 41 ASN H H 41 7.601 8.893 -1.292 1
1 429 . 10 1 1 A 41 41 ASN HA H 41 4.408 4.250 0.158 1
1 434 . 10 1 1 A 41 41 ASN C C 41 174.584 174.331 0.253 1
1 435 . 10 1 1 A 41 41 ASN CA C 41 53.396 54.425 -1.029 1
1 436 . 10 1 1 A 41 41 ASN CB C 41 37.847 36.744 1.103 1
1 437 . 10 1 1 A 41 41 ASN N N 41 114.895 115.248 -0.353 1
1 439 . 10 1 1 A 42 42 ARG H H 42 7.927 7.900 0.027 1
1 440 . 10 1 1 A 42 42 ARG HA H 42 3.271 3.590 -0.319 1
1 446 . 10 1 1 A 42 42 ARG CA C 42 57.164 56.706 0.458 1
1 449 . 10 1 1 A 42 42 ARG N N 42 115.263 110.637 4.626 1
1 450 . 10 1 1 A 43 43 SER H H 43 9.112 7.472 1.640 1
1 451 . 10 1 1 A 43 43 SER HA H 43 4.444 4.296 0.148 1
1 454 . 10 1 1 A 43 43 SER CA C 43 59.742 61.371 -1.629 1
1 455 . 10 1 1 A 43 43 SER CB C 43 64.693 63.653 1.040 1
1 456 . 10 1 1 A 43 43 SER N N 43 115.094 113.169 1.925 1
1 457 . 10 1 1 A 44 44 LYS H H 44 8.543 7.830 0.713 1
1 458 . 10 1 1 A 44 44 LYS HA H 44 4.784 4.867 -0.083 1
1 464 . 10 1 1 A 44 44 LYS C C 44 175.723 174.306 1.417 1
1 465 . 10 1 1 A 44 44 LYS CA C 44 55.091 55.654 -0.563 1
1 466 . 10 1 1 A 44 44 LYS CB C 44 34.642 35.861 -1.219 1
1 470 . 10 1 1 A 45 45 VAL H H 45 8.965 9.022 -0.057 1
1 471 . 10 1 1 A 45 45 VAL HA H 45 4.043 4.274 -0.231 1
1 479 . 10 1 1 A 45 45 VAL C C 45 176.656 175.777 0.879 1
1 480 . 10 1 1 A 45 45 VAL CA C 45 63.883 62.280 1.603 1
1 481 . 10 1 1 A 45 45 VAL CB C 45 32.621 31.865 0.756 1
1 484 . 10 1 1 A 45 45 VAL N N 45 127.663 126.483 1.180 1
1 485 . 10 1 1 A 46 46 ALA H H 46 9.214 8.593 0.621 1
1 486 . 10 1 1 A 46 46 ALA HA H 46 4.523 4.199 0.324 1
1 490 . 10 1 1 A 46 46 ALA C C 46 176.560 177.420 -0.860 1
1 491 . 10 1 1 A 46 46 ALA CA C 46 52.610 54.310 -1.700 1
1 492 . 10 1 1 A 46 46 ALA CB C 46 20.929 19.445 1.484 1
1 493 . 10 1 1 A 46 46 ALA N N 46 129.165 129.331 -0.166 1
1 494 . 10 1 1 A 47 47 GLN H H 47 7.504 7.554 -0.050 1
1 495 . 10 1 1 A 47 47 GLN HA H 47 4.494 4.566 -0.072 1
1 502 . 10 1 1 A 47 47 GLN C C 47 173.057 174.532 -1.475 1
1 503 . 10 1 1 A 47 47 GLN CA C 47 54.458 54.192 0.266 1
1 504 . 10 1 1 A 47 47 GLN CB C 47 30.918 31.779 -0.861 1
1 506 . 10 1 1 A 47 47 GLN N N 47 112.591 111.611 0.980 1
1 508 . 10 1 1 A 48 48 GLN H H 48 8.541 8.242 0.299 1
1 509 . 10 1 1 A 48 48 GLN HA H 48 4.420 4.321 0.099 1
1 516 . 10 1 1 A 48 48 GLN C C 48 172.864 174.131 -1.267 1
1 517 . 10 1 1 A 48 48 GLN CA C 48 54.774 54.702 0.072 1
1 518 . 10 1 1 A 48 48 GLN CB C 48 28.017 27.752 0.265 1
1 520 . 10 1 1 A 48 48 GLN N N 48 120.933 120.414 0.519 1
1 522 . 10 1 1 A 49 49 PRO HA H 49 4.963 4.555 0.408 1
1 529 . 10 1 1 A 49 49 PRO C C 49 177.105 175.515 1.590 1
1 530 . 10 1 1 A 49 49 PRO CA C 49 63.010 62.411 0.599 1
1 531 . 10 1 1 A 49 49 PRO CB C 49 32.625 31.946 0.679 1
1 534 . 10 1 1 A 50 50 LEU H H 50 8.937 8.789 0.148 1
1 535 . 10 1 1 A 50 50 LEU HA H 50 4.742 5.089 -0.347 1
1 545 . 10 1 1 A 50 50 LEU C C 50 176.147 175.980 0.167 1
1 546 . 10 1 1 A 50 50 LEU CA C 50 53.120 53.176 -0.056 1
1 547 . 10 1 1 A 50 50 LEU CB C 50 45.352 45.357 -0.005 1
1 551 . 10 1 1 A 50 50 LEU N N 50 121.454 121.841 -0.387 1
1 552 . 10 1 1 A 51 51 SER H H 51 8.771 8.897 -0.126 1
1 553 . 10 1 1 A 51 51 SER HA H 51 3.434 4.426 -0.992 1
1 556 . 10 1 1 A 51 51 SER C C 51 175.081 174.049 1.032 1
1 557 . 10 1 1 A 51 51 SER CA C 51 57.936 58.066 -0.130 1
1 558 . 10 1 1 A 51 51 SER CB C 51 62.378 63.099 -0.721 1
1 559 . 10 1 1 A 51 51 SER N N 51 120.178 119.816 0.362 1
1 560 . 10 1 1 A 52 52 LEU H H 52 8.045 8.281 -0.236 1
1 561 . 10 1 1 A 52 52 LEU HA H 52 4.443 4.022 0.421 1
1 571 . 10 1 1 A 52 52 LEU C C 52 177.916 177.744 0.172 1
1 572 . 10 1 1 A 52 52 LEU CA C 52 55.105 57.726 -2.621 1
1 573 . 10 1 1 A 52 52 LEU CB C 52 42.762 41.420 1.342 1
1 577 . 10 1 1 A 52 52 LEU N N 52 125.348 128.373 -3.025 1
1 578 . 10 1 1 A 53 53 VAL H H 53 7.418 7.365 0.053 1
1 579 . 10 1 1 A 53 53 VAL HA H 53 3.841 3.786 0.055 1
1 587 . 10 1 1 A 53 53 VAL C C 53 178.123 177.063 1.060 1
1 588 . 10 1 1 A 53 53 VAL CA C 53 64.893 64.856 0.037 1
1 589 . 10 1 1 A 53 53 VAL CB C 53 30.973 31.199 -0.226 1
1 592 . 10 1 1 A 53 53 VAL N N 53 119.590 118.655 0.935 1
1 593 . 10 1 1 A 54 54 GLY H H 54 9.187 8.778 0.409 1
1 594 . 10 1 1 A 54 54 GLY HA2 H 54 4.292 3.728 0.564 1
1 595 . 10 1 1 A 54 54 GLY HA3 H 54 3.934 3.870 0.064 1
1 596 . 10 1 1 A 54 54 GLY C C 54 175.275 174.447 0.828 1
1 597 . 10 1 1 A 54 54 GLY CA C 54 45.906 44.757 1.149 1
1 598 . 10 1 1 A 54 54 GLY N N 54 115.764 114.759 1.005 1
1 599 . 10 1 1 A 55 55 CYS H H 55 7.871 7.941 -0.070 1
1 600 . 10 1 1 A 55 55 CYS HA H 55 5.052 4.322 0.730 1
1 603 . 10 1 1 A 55 55 CYS C C 55 174.112 173.434 0.678 1
1 604 . 10 1 1 A 55 55 CYS CA C 55 60.352 59.497 0.855 1
1 605 . 10 1 1 A 55 55 CYS CB C 55 28.779 28.877 -0.098 1
1 606 . 10 1 1 A 55 55 CYS N N 55 117.748 120.048 -2.300 1
1 607 . 10 1 1 A 56 56 GLU H H 56 9.140 8.687 0.453 1
1 608 . 10 1 1 A 56 56 GLU HA H 56 4.672 4.831 -0.159 1
1 612 . 10 1 1 A 56 56 GLU C C 56 175.105 174.523 0.582 1
1 613 . 10 1 1 A 56 56 GLU CA C 56 55.179 55.316 -0.137 1
1 614 . 10 1 1 A 56 56 GLU CB C 56 33.097 33.525 -0.428 1
1 616 . 10 1 1 A 56 56 GLU N N 56 120.179 123.120 -2.941 1
1 617 . 10 1 1 A 57 57 VAL H H 57 8.385 8.864 -0.479 1
1 618 . 10 1 1 A 57 57 VAL HA H 57 5.238 4.598 0.640 1
1 626 . 10 1 1 A 57 57 VAL C C 57 175.238 175.882 -0.644 1
1 627 . 10 1 1 A 57 57 VAL CA C 57 61.064 62.272 -1.208 1
1 628 . 10 1 1 A 57 57 VAL CB C 57 33.429 31.751 1.678 1
1 631 . 10 1 1 A 57 57 VAL N N 57 122.535 127.600 -5.065 1
1 632 . 10 1 1 A 58 58 VAL H H 58 8.884 9.253 -0.369 1
1 633 . 10 1 1 A 58 58 VAL HA H 58 5.053 4.915 0.138 1
1 641 . 10 1 1 A 58 58 VAL C C 58 174.027 173.656 0.371 1
1 642 . 10 1 1 A 58 58 VAL CA C 58 57.977 57.955 0.022 1
1 643 . 10 1 1 A 58 58 VAL CB C 58 35.583 34.312 1.271 1
1 646 . 10 1 1 A 58 58 VAL N N 58 122.081 122.057 0.024 1
1 647 . 10 1 1 A 59 59 PRO HA H 59 4.573 4.906 -0.333 1
1 654 . 10 1 1 A 59 59 PRO C C 59 175.457 175.171 0.286 1
1 655 . 10 1 1 A 59 59 PRO CA C 59 63.643 62.376 1.267 1
1 656 . 10 1 1 A 59 59 PRO CB C 59 32.915 29.953 2.962 1
1 659 . 10 1 1 A 60 60 ASP H H 60 8.989 8.521 0.468 1
1 660 . 10 1 1 A 60 60 ASP HA H 60 5.179 5.304 -0.125 1
1 663 . 10 1 1 A 60 60 ASP C C 60 172.742 174.146 -1.404 1
1 664 . 10 1 1 A 60 60 ASP CA C 60 52.698 50.914 1.784 1
1 665 . 10 1 1 A 60 60 ASP CB C 60 43.314 41.348 1.966 1
1 666 . 10 1 1 A 60 60 ASP N N 60 122.718 123.846 -1.128 1
1 667 . 10 1 1 A 61 61 PRO HA H 61 4.681 4.947 -0.266 1
1 674 . 10 1 1 A 61 61 PRO C C 61 177.420 175.709 1.711 1
1 675 . 10 1 1 A 61 61 PRO CA C 61 63.594 62.538 1.056 1
1 676 . 10 1 1 A 61 61 PRO CB C 61 32.950 32.634 0.316 1
1 679 . 10 1 1 A 62 62 SER H H 62 7.803 8.492 -0.689 1
1 680 . 10 1 1 A 62 62 SER HA H 62 4.797 5.085 -0.288 1
1 683 . 10 1 1 A 62 62 SER C C 62 174.851 174.997 -0.146 1
1 684 . 10 1 1 A 62 62 SER CA C 62 56.896 56.133 0.763 1
1 685 . 10 1 1 A 62 62 SER CB C 62 63.959 64.674 -0.715 1
1 686 . 10 1 1 A 62 62 SER N N 62 115.582 116.358 -0.776 1
1 687 . 10 1 1 A 63 63 PRO HA H 63 4.089 4.517 -0.428 1
1 694 . 10 1 1 A 63 63 PRO C C 63 177.105 176.406 0.699 1
1 695 . 10 1 1 A 63 63 PRO CA C 63 66.024 64.162 1.862 1
1 696 . 10 1 1 A 63 63 PRO CB C 63 31.763 31.562 0.201 1
1 699 . 10 1 1 A 64 64 ASP H H 64 8.361 8.306 0.055 1
1 700 . 10 1 1 A 64 64 ASP HA H 64 4.290 4.759 -0.469 1
1 703 . 10 1 1 A 64 64 ASP C C 64 174.802 175.414 -0.612 1
1 704 . 10 1 1 A 64 64 ASP CA C 64 54.458 54.654 -0.196 1
1 705 . 10 1 1 A 64 64 ASP CB C 64 40.481 43.495 -3.014 1
1 706 . 10 1 1 A 64 64 ASP N N 64 111.867 117.284 -5.417 1
1 707 . 10 1 1 A 65 65 HIS H H 65 7.781 7.842 -0.061 1
1 708 . 10 1 1 A 65 65 HIS HA H 65 4.558 4.676 -0.118 1
1 713 . 10 1 1 A 65 65 HIS C C 65 174.972 174.568 0.404 1
1 714 . 10 1 1 A 65 65 HIS CA C 65 54.370 54.264 0.106 1
1 715 . 10 1 1 A 65 65 HIS CB C 65 28.450 31.120 -2.670 1
1 718 . 10 1 1 A 65 65 HIS N N 65 120.793 116.042 4.751 1
1 719 . 10 1 1 A 66 66 LEU H H 66 8.206 8.121 0.085 1
1 720 . 10 1 1 A 66 66 LEU HA H 66 3.893 4.193 -0.300 1
1 730 . 10 1 1 A 66 66 LEU C C 66 178.826 176.375 2.451 1
1 731 . 10 1 1 A 66 66 LEU CA C 66 57.857 54.346 3.511 1
1 732 . 10 1 1 A 66 66 LEU CB C 66 42.245 41.291 0.954 1
1 736 . 10 1 1 A 66 66 LEU N N 66 124.390 125.263 -0.873 1
1 737 . 10 1 1 A 67 67 TYR H H 67 8.612 7.661 0.951 1
1 738 . 10 1 1 A 67 67 TYR HA H 67 5.417 4.899 0.518 1
1 745 . 10 1 1 A 67 67 TYR C C 67 176.403 175.059 1.344 1
1 746 . 10 1 1 A 67 67 TYR CA C 67 55.320 57.401 -2.081 1
1 747 . 10 1 1 A 67 67 TYR CB C 67 35.524 38.217 -2.693 1
1 752 . 10 1 1 A 67 67 TYR N N 67 118.042 119.028 -0.986 1
1 753 . 10 1 1 A 68 68 SER H H 68 6.652 7.750 -1.098 1
1 754 . 10 1 1 A 68 68 SER HA H 68 5.742 5.310 0.432 1
1 757 . 10 1 1 A 68 68 SER C C 68 174.827 173.807 1.020 1
1 758 . 10 1 1 A 68 68 SER CA C 68 56.147 56.099 0.048 1
1 759 . 10 1 1 A 68 68 SER CB C 68 65.504 65.654 -0.150 1
1 760 . 10 1 1 A 68 68 SER N N 68 111.076 112.928 -1.852 1
1 761 . 10 1 1 A 69 69 PHE H H 69 9.089 8.313 0.776 1
1 762 . 10 1 1 A 69 69 PHE HA H 69 5.212 5.726 -0.514 1
1 770 . 10 1 1 A 69 69 PHE C C 69 171.676 172.944 -1.268 1
1 771 . 10 1 1 A 69 69 PHE CA C 69 55.918 55.297 0.621 1
1 772 . 10 1 1 A 69 69 PHE CB C 69 41.034 42.136 -1.102 1
1 778 . 10 1 1 A 69 69 PHE N N 69 121.539 118.593 2.946 1
1 779 . 10 1 1 A 70 70 ARG H H 70 9.299 8.966 0.333 1
1 780 . 10 1 1 A 70 70 ARG HA H 70 5.333 5.152 0.181 1
1 787 . 10 1 1 A 70 70 ARG C C 70 174.197 174.302 -0.105 1
1 788 . 10 1 1 A 70 70 ARG CA C 70 54.198 54.144 0.054 1
1 789 . 10 1 1 A 70 70 ARG CB C 70 35.236 34.272 0.964 1
1 792 . 10 1 1 A 70 70 ARG N N 70 117.458 118.417 -0.959 1
1 794 . 10 1 1 A 71 71 ILE H H 71 8.505 8.585 -0.080 1
1 795 . 10 1 1 A 71 71 ILE HA H 71 4.974 5.390 -0.416 1
1 805 . 10 1 1 A 71 71 ILE C C 71 174.996 175.178 -0.182 1
1 806 . 10 1 1 A 71 71 ILE CA C 71 60.622 59.920 0.702 1
1 807 . 10 1 1 A 71 71 ILE CB C 71 39.636 40.676 -1.040 1
1 811 . 10 1 1 A 71 71 ILE N N 71 119.757 122.917 -3.160 1
1 812 . 10 1 1 A 72 72 LEU H H 72 9.488 9.044 0.444 1
1 813 . 10 1 1 A 72 72 LEU HA H 72 5.473 5.334 0.139 1
1 823 . 10 1 1 A 72 72 LEU C C 72 176.172 176.209 -0.037 1
1 824 . 10 1 1 A 72 72 LEU CA C 72 53.507 53.947 -0.440 1
1 825 . 10 1 1 A 72 72 LEU CB C 72 46.393 45.967 0.426 1
1 829 . 10 1 1 A 72 72 LEU N N 72 128.277 126.026 2.251 1
1 830 . 10 1 1 A 73 73 HIS H H 73 9.087 8.747 0.340 1
1 831 . 10 1 1 A 73 73 HIS HA H 73 4.888 4.606 0.282 1
1 836 . 10 1 1 A 73 73 HIS C C 73 175.118 175.800 -0.682 1
1 837 . 10 1 1 A 73 73 HIS CA C 73 56.675 58.218 -1.543 1
1 838 . 10 1 1 A 73 73 HIS CB C 73 32.933 31.623 1.310 1
1 841 . 10 1 1 A 73 73 HIS N N 73 119.084 123.125 -4.041 1
1 842 . 10 1 1 A 74 74 LYS H H 74 9.551 8.062 1.489 1
1 843 . 10 1 1 A 74 74 LYS HA H 74 3.763 4.487 -0.724 1
1 852 . 10 1 1 A 74 74 LYS C C 74 176.851 176.627 0.224 1
1 853 . 10 1 1 A 74 74 LYS CA C 74 56.969 55.338 1.631 1
1 854 . 10 1 1 A 74 74 LYS CB C 74 29.766 32.647 -2.881 1
1 858 . 10 1 1 A 74 74 LYS N N 74 128.764 116.957 11.807 1
1 859 . 10 1 1 A 75 75 GLY H H 75 8.877 8.127 0.750 1
1 860 . 10 1 1 A 75 75 GLY HA2 H 75 3.523 3.950 -0.427 1
1 861 . 10 1 1 A 75 75 GLY HA3 H 75 4.213 3.960 0.253 1
1 862 . 10 1 1 A 75 75 GLY C C 75 173.566 173.818 -0.252 1
1 863 . 10 1 1 A 75 75 GLY CA C 75 45.346 45.690 -0.344 1
1 864 . 10 1 1 A 75 75 GLY N N 75 104.552 108.482 -3.930 1
1 865 . 10 1 1 A 76 76 GLU H H 76 7.922 7.986 -0.064 1
1 866 . 10 1 1 A 76 76 GLU HA H 76 4.491 4.725 -0.234 1
1 871 . 10 1 1 A 76 76 GLU C C 76 175.651 174.835 0.816 1
1 872 . 10 1 1 A 76 76 GLU CA C 76 54.721 54.864 -0.143 1
1 873 . 10 1 1 A 76 76 GLU CB C 76 31.187 32.055 -0.868 1
1 875 . 10 1 1 A 76 76 GLU N N 76 121.492 119.548 1.944 1
1 876 . 10 1 1 A 77 77 GLU H H 77 8.925 8.720 0.205 1
1 877 . 10 1 1 A 77 77 GLU HA H 77 4.309 4.993 -0.684 1
1 881 . 10 1 1 A 77 77 GLU C C 77 175.857 175.451 0.406 1
1 882 . 10 1 1 A 77 77 GLU CA C 77 57.412 54.876 2.536 1
1 883 . 10 1 1 A 77 77 GLU CB C 77 31.146 31.222 -0.076 1
1 885 . 10 1 1 A 77 77 GLU N N 77 125.541 121.648 3.893 1
1 886 . 10 1 1 A 78 78 LEU H H 78 9.475 8.732 0.743 1
1 887 . 10 1 1 A 78 78 LEU HA H 78 4.513 4.383 0.130 1
1 897 . 10 1 1 A 78 78 LEU C C 78 177.541 177.008 0.533 1
1 898 . 10 1 1 A 78 78 LEU CA C 78 55.443 56.328 -0.885 1
1 899 . 10 1 1 A 78 78 LEU CB C 78 43.776 42.495 1.281 1
1 903 . 10 1 1 A 78 78 LEU N N 78 128.715 129.205 -0.490 1
1 904 . 10 1 1 A 79 79 ALA H H 79 7.550 7.782 -0.232 1
1 905 . 10 1 1 A 79 79 ALA HA H 79 4.503 4.749 -0.246 1
1 909 . 10 1 1 A 79 79 ALA C C 79 174.342 175.329 -0.987 1
1 910 . 10 1 1 A 79 79 ALA CA C 79 51.906 51.329 0.577 1
1 911 . 10 1 1 A 79 79 ALA CB C 79 22.017 23.212 -1.195 1
1 912 . 10 1 1 A 79 79 ALA N N 79 116.317 117.060 -0.743 1
1 913 . 10 1 1 A 80 80 LYS H H 80 8.743 8.759 -0.016 1
1 914 . 10 1 1 A 80 80 LYS HA H 80 4.725 4.849 -0.124 1
1 923 . 10 1 1 A 80 80 LYS C C 80 172.973 174.693 -1.720 1
1 924 . 10 1 1 A 80 80 LYS CA C 80 56.604 55.170 1.434 1
1 925 . 10 1 1 A 80 80 LYS CB C 80 34.331 35.974 -1.643 1
1 929 . 10 1 1 A 80 80 LYS N N 80 123.623 120.538 3.085 1
1 930 . 10 1 1 A 81 81 LEU H H 81 8.504 8.636 -0.132 1
1 931 . 10 1 1 A 81 81 LEU HA H 81 5.531 5.529 0.002 1
1 941 . 10 1 1 A 81 81 LEU C C 81 176.366 175.376 0.990 1
1 942 . 10 1 1 A 81 81 LEU CA C 81 53.665 52.973 0.692 1
1 943 . 10 1 1 A 81 81 LEU CB C 81 45.969 45.049 0.920 1
1 947 . 10 1 1 A 81 81 LEU N N 81 124.594 127.685 -3.091 1
1 948 . 10 1 1 A 82 82 GLU H H 82 9.018 8.359 0.659 1
1 949 . 10 1 1 A 82 82 GLU HA H 82 4.826 4.524 0.302 1
1 954 . 10 1 1 A 82 82 GLU C C 82 174.439 175.588 -1.149 1
1 955 . 10 1 1 A 82 82 GLU CA C 82 56.376 54.583 1.793 1
1 956 . 10 1 1 A 82 82 GLU CB C 82 32.852 32.942 -0.090 1
1 958 . 10 1 1 A 82 82 GLU N N 82 118.819 121.390 -2.571 1
1 959 . 10 1 1 A 83 83 ALA H H 83 8.027 9.039 -1.012 1
1 960 . 10 1 1 A 83 83 ALA HA H 83 4.980 4.545 0.435 1
1 964 . 10 1 1 A 83 83 ALA C C 83 176.439 179.095 -2.656 1
1 965 . 10 1 1 A 83 83 ALA CA C 83 50.059 51.359 -1.300 1
1 966 . 10 1 1 A 83 83 ALA CB C 83 21.702 20.383 1.319 1
1 967 . 10 1 1 A 83 83 ALA N N 83 127.765 128.658 -0.893 1
1 968 . 10 1 1 A 84 84 LYS H H 84 9.017 8.364 0.653 1
1 969 . 10 1 1 A 84 84 LYS HA H 84 4.432 4.600 -0.168 1
1 977 . 10 1 1 A 84 84 LYS C C 84 175.930 176.300 -0.370 1
1 978 . 10 1 1 A 84 84 LYS CA C 84 56.956 56.811 0.145 1
1 979 . 10 1 1 A 84 84 LYS CB C 84 32.974 33.991 -1.017 1
1 983 . 10 1 1 A 84 84 LYS N N 84 115.456 116.440 -0.984 1
1 984 . 10 1 1 A 85 85 SER H H 85 7.324 7.578 -0.254 1
1 985 . 10 1 1 A 85 85 SER HA H 85 4.074 4.113 -0.039 1
1 988 . 10 1 1 A 85 85 SER C C 85 173.421 173.957 -0.536 1
1 989 . 10 1 1 A 85 85 SER CA C 85 56.038 55.099 0.939 1
1 990 . 10 1 1 A 85 85 SER CB C 85 66.506 67.048 -0.542 1
1 991 . 10 1 1 A 85 85 SER N N 85 110.261 112.097 -1.836 1
1 992 . 10 1 1 A 86 86 SER H H 86 8.610 8.115 0.495 1
1 993 . 10 1 1 A 86 86 SER HA H 86 3.648 4.069 -0.421 1
1 996 . 10 1 1 A 86 86 SER C C 86 177.784 176.373 1.411 1
1 997 . 10 1 1 A 86 86 SER CA C 86 61.391 61.731 -0.340 1
1 998 . 10 1 1 A 86 86 SER CB C 86 62.378 62.323 0.055 1
1 999 . 10 1 1 A 86 86 SER N N 86 117.136 115.992 1.144 1
1 1000 . 10 1 1 A 87 87 GLU H H 87 8.890 7.495 1.395 1
1 1001 . 10 1 1 A 87 87 GLU HA H 87 4.031 4.062 -0.031 1
1 1006 . 10 1 1 A 87 87 GLU C C 87 179.492 179.059 0.433 1
1 1007 . 10 1 1 A 87 87 GLU CA C 87 59.983 59.330 0.653 1
1 1008 . 10 1 1 A 87 87 GLU CB C 87 28.969 29.105 -0.136 1
1 1010 . 10 1 1 A 87 87 GLU N N 87 123.189 122.424 0.765 1
1 1011 . 10 1 1 A 88 88 GLU H H 88 8.015 7.856 0.159 1
1 1012 . 10 1 1 A 88 88 GLU HA H 88 4.243 4.119 0.124 1
1 1017 . 10 1 1 A 88 88 GLU C C 88 178.472 178.849 -0.377 1
1 1018 . 10 1 1 A 88 88 GLU CA C 88 59.642 59.349 0.293 1
1 1019 . 10 1 1 A 88 88 GLU CB C 88 31.016 29.261 1.755 1
1 1021 . 10 1 1 A 88 88 GLU N N 88 121.015 119.764 1.251 1
1 1022 . 10 1 1 A 89 89 MET H H 89 8.334 8.457 -0.123 1
1 1023 . 10 1 1 A 89 89 MET HA H 89 3.843 4.375 -0.532 1
1 1030 . 10 1 1 A 89 89 MET C C 89 177.396 178.751 -1.355 1
1 1031 . 10 1 1 A 89 89 MET CA C 89 60.458 58.006 2.452 1
1 1032 . 10 1 1 A 89 89 MET CB C 89 32.481 32.498 -0.017 1
1 1035 . 10 1 1 A 89 89 MET N N 89 119.764 118.929 0.835 1
1 1036 . 10 1 1 A 90 90 GLY H H 90 8.452 8.151 0.301 1
1 1037 . 10 1 1 A 90 90 GLY HA2 H 90 4.008 3.712 0.296 1
1 1038 . 10 1 1 A 90 90 GLY HA3 H 90 3.723 3.733 -0.010 1
1 1039 . 10 1 1 A 90 90 GLY C C 90 176.814 175.480 1.334 1
1 1040 . 10 1 1 A 90 90 GLY CA C 90 47.489 46.814 0.675 1
1 1041 . 10 1 1 A 90 90 GLY N N 90 105.180 108.324 -3.144 1
1 1042 . 10 1 1 A 91 91 HIS H H 91 7.919 8.166 -0.247 1
1 1043 . 10 1 1 A 91 91 HIS HA H 91 4.329 4.164 0.165 1
1 1048 . 10 1 1 A 91 91 HIS C C 91 178.208 177.118 1.090 1
1 1049 . 10 1 1 A 91 91 HIS CA C 91 59.367 58.856 0.511 1
1 1050 . 10 1 1 A 91 91 HIS CB C 91 30.612 29.830 0.782 1
1 1053 . 10 1 1 A 91 91 HIS N N 91 121.929 121.225 0.704 1
1 1054 . 10 1 1 A 92 92 TRP H H 92 8.199 7.441 0.758 1
1 1055 . 10 1 1 A 92 92 TRP HA H 92 3.829 4.142 -0.313 1
1 1064 . 10 1 1 A 92 92 TRP C C 92 178.257 178.449 -0.192 1
1 1065 . 10 1 1 A 92 92 TRP CA C 92 62.464 59.732 2.732 1
1 1066 . 10 1 1 A 92 92 TRP CB C 92 29.190 29.844 -0.654 1
1 1072 . 10 1 1 A 92 92 TRP N N 92 120.070 117.977 2.093 1
1 1074 . 10 1 1 A 93 93 LEU H H 93 8.740 7.924 0.816 1
1 1075 . 10 1 1 A 93 93 LEU HA H 93 3.695 3.644 0.051 1
1 1085 . 10 1 1 A 93 93 LEU C C 93 179.105 179.188 -0.083 1
1 1086 . 10 1 1 A 93 93 LEU CA C 93 59.076 58.216 0.860 1
1 1087 . 10 1 1 A 93 93 LEU CB C 93 40.993 41.645 -0.652 1
1 1091 . 10 1 1 A 93 93 LEU N N 93 119.445 119.907 -0.462 1
1 1092 . 10 1 1 A 94 94 GLY H H 94 7.616 8.047 -0.431 1
1 1093 . 10 1 1 A 94 94 GLY HA2 H 94 3.852 3.602 0.250 1
1 1094 . 10 1 1 A 94 94 GLY HA3 H 94 3.759 3.619 0.140 1
1 1095 . 10 1 1 A 94 94 GLY C C 94 176.693 175.444 1.249 1
1 1096 . 10 1 1 A 94 94 GLY CA C 94 47.120 47.116 0.004 1
1 1097 . 10 1 1 A 94 94 GLY N N 94 102.951 105.495 -2.544 1
1 1098 . 10 1 1 A 95 95 LEU H H 95 7.853 7.952 -0.099 1
1 1099 . 10 1 1 A 95 95 LEU HA H 95 4.024 3.856 0.168 1
1 1109 . 10 1 1 A 95 95 LEU C C 95 179.589 178.394 1.195 1
1 1110 . 10 1 1 A 95 95 LEU CA C 95 57.678 57.441 0.237 1
1 1111 . 10 1 1 A 95 95 LEU CB C 95 42.533 41.286 1.247 1
1 1115 . 10 1 1 A 95 95 LEU N N 95 123.479 122.861 0.618 1
1 1116 . 10 1 1 A 96 96 LEU H H 96 8.649 8.508 0.141 1
1 1117 . 10 1 1 A 96 96 LEU HA H 96 3.971 4.014 -0.043 1
1 1127 . 10 1 1 A 96 96 LEU C C 96 179.068 178.926 0.142 1
1 1128 . 10 1 1 A 96 96 LEU CA C 96 57.906 57.821 0.085 1
1 1129 . 10 1 1 A 96 96 LEU CB C 96 42.104 41.721 0.383 1
1 1133 . 10 1 1 A 96 96 LEU N N 96 118.046 118.543 -0.497 1
1 1134 . 10 1 1 A 97 97 LEU H H 97 8.198 8.080 0.118 1
1 1135 . 10 1 1 A 97 97 LEU HA H 97 4.234 3.989 0.245 1
1 1145 . 10 1 1 A 97 97 LEU C C 97 180.177 179.104 1.073 1
1 1146 . 10 1 1 A 97 97 LEU CA C 97 57.361 58.063 -0.702 1
1 1147 . 10 1 1 A 97 97 LEU CB C 97 41.611 41.537 0.074 1
1 1151 . 10 1 1 A 97 97 LEU N N 97 118.670 118.881 -0.211 1
1 1152 . 10 1 1 A 98 98 SER H H 98 7.818 7.914 -0.096 1
1 1153 . 10 1 1 A 98 98 SER HA H 98 4.328 4.020 0.308 1
1 1156 . 10 1 1 A 98 98 SER C C 98 176.863 177.281 -0.418 1
1 1157 . 10 1 1 A 98 98 SER CA C 98 61.004 61.662 -0.658 1
1 1158 . 10 1 1 A 98 98 SER CB C 98 63.322 62.819 0.503 1
1 1159 . 10 1 1 A 98 98 SER N N 98 115.679 113.028 2.651 1
1 1160 . 10 1 1 A 99 99 GLU H H 99 8.003 7.735 0.268 1
1 1161 . 10 1 1 A 99 99 GLU HA H 99 4.193 3.980 0.213 1
1 1166 . 10 1 1 A 99 99 GLU C C 99 177.226 178.036 -0.810 1
1 1167 . 10 1 1 A 99 99 GLU CA C 99 57.449 59.176 -1.727 1
1 1168 . 10 1 1 A 99 99 GLU CB C 99 30.260 29.129 1.131 1
1 1170 . 10 1 1 A 99 99 GLU N N 99 120.518 121.227 -0.709 1
1 1171 . 10 1 1 A 100 100 SER H H 100 7.892 8.153 -0.261 1
1 1172 . 10 1 1 A 100 100 SER HA H 100 4.582 4.395 0.187 1
1 1175 . 10 1 1 A 100 100 SER C C 100 175.881 174.471 1.410 1
1 1176 . 10 1 1 A 100 100 SER CA C 100 59.561 57.628 1.933 1
1 1177 . 10 1 1 A 100 100 SER CB C 100 64.188 62.704 1.484 1
1 1178 . 10 1 1 A 100 100 SER N N 100 113.686 110.833 2.853 1
1 1179 . 10 1 1 A 101 101 GLY H H 101 7.861 8.125 -0.264 1
1 1180 . 10 1 1 A 101 101 GLY HA2 H 101 4.114 4.058 0.056 1
1 1181 . 10 1 1 A 101 101 GLY HA3 H 101 4.063 4.064 -0.001 1
1 1182 . 10 1 1 A 101 101 GLY C C 101 174.076 172.050 2.026 1
1 1183 . 10 1 1 A 101 101 GLY CA C 101 45.501 44.501 1.000 1
1 1184 . 10 1 1 A 101 101 GLY N N 101 109.148 110.418 -1.270 1
1 1185 . 10 1 1 A 102 102 SER H H 102 8.260 8.361 -0.101 1
1 1186 . 10 1 1 A 102 102 SER HA H 102 4.543 5.165 -0.622 1
1 1189 . 10 1 1 A 102 102 SER C C 102 174.851 173.927 0.924 1
1 1190 . 10 1 1 A 102 102 SER CA C 102 58.646 57.019 1.627 1
1 1191 . 10 1 1 A 102 102 SER CB C 102 64.211 66.414 -2.203 1
1 1192 . 10 1 1 A 102 102 SER N N 102 116.298 116.778 -0.480 1
1 1193 . 10 1 1 A 103 103 GLY H H 103 8.252 8.847 -0.595 1
1 1194 . 10 1 1 A 103 103 GLY HA2 H 103 4.173 4.057 0.116 1
1 1195 . 10 1 1 A 103 103 GLY HA3 H 103 4.074 4.058 0.016 1
1 1196 . 10 1 1 A 103 103 GLY C C 103 171.773 174.352 -2.579 1
1 1197 . 10 1 1 A 103 103 GLY CA C 103 44.777 44.452 0.325 1
1 1198 . 10 1 1 A 103 103 GLY N N 103 110.162 115.038 -4.876 1
1 1199 . 10 1 1 A 104 104 PRO HA H 104 4.515 4.442 0.073 1
1 1206 . 10 1 1 A 104 104 PRO CA C 104 63.224 64.052 -0.828 1
1 1207 . 10 1 1 A 104 104 PRO CB C 104 32.174 31.582 0.592 1
1 1210 . 10 1 1 A 105 105 SER H H 105 8.559 8.050 0.509 1
1 1211 . 10 1 1 A 105 105 SER CA C 105 60.998 57.818 3.180 1
1 1212 . 10 1 1 A 105 105 SER CB C 105 63.768 65.074 -1.306 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.952 4.085 -0.133 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.952 4.088 -0.136 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.197 173.651 0.546 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.378 45.267 0.111 1
1 5 . 11 1 1 A 8 8 LEU H H 8 8.030 8.549 -0.519 1
1 6 . 11 1 1 A 8 8 LEU HA H 8 4.321 4.235 0.086 1
1 16 . 11 1 1 A 8 8 LEU C C 8 177.468 175.495 1.973 1
1 17 . 11 1 1 A 8 8 LEU CA C 8 55.320 56.018 -0.698 1
1 18 . 11 1 1 A 8 8 LEU CB C 8 42.556 42.370 0.186 1
1 22 . 11 1 1 A 8 8 LEU N N 8 121.494 127.980 -6.486 1
1 23 . 11 1 1 A 9 9 GLU H H 9 8.577 8.167 0.410 1
1 24 . 11 1 1 A 9 9 GLU HA H 9 4.454 4.663 -0.209 1
1 29 . 11 1 1 A 9 9 GLU C C 9 177.056 177.669 -0.613 1
1 30 . 11 1 1 A 9 9 GLU CA C 9 56.956 54.740 2.216 1
1 31 . 11 1 1 A 9 9 GLU CB C 9 30.237 30.686 -0.449 1
1 33 . 11 1 1 A 9 9 GLU N N 9 121.449 125.054 -3.605 1
1 34 . 11 1 1 A 10 10 THR H H 10 8.189 8.762 -0.573 1
1 35 . 11 1 1 A 10 10 THR HA H 10 4.323 3.773 0.550 1
1 40 . 11 1 1 A 10 10 THR CA C 10 62.062 65.560 -3.498 1
1 41 . 11 1 1 A 10 10 THR CB C 10 69.441 68.520 0.921 1
1 43 . 11 1 1 A 10 10 THR N N 10 113.730 113.971 -0.241 1
1 44 . 11 1 1 A 11 11 SER H H 11 7.883 7.737 0.146 1
1 45 . 11 1 1 A 11 11 SER HA H 11 5.249 4.765 0.484 1
1 48 . 11 1 1 A 11 11 SER CA C 11 57.852 57.565 0.287 1
1 49 . 11 1 1 A 11 11 SER CB C 11 65.426 62.595 2.831 1
1 50 . 11 1 1 A 12 12 SER H H 12 8.413 8.644 -0.231 1
1 51 . 11 1 1 A 12 12 SER HA H 12 4.467 4.665 -0.198 1
1 54 . 11 1 1 A 12 12 SER CA C 12 58.741 56.796 1.945 1
1 55 . 11 1 1 A 12 12 SER CB C 12 65.239 66.277 -1.038 1
1 56 . 11 1 1 A 12 12 SER N N 12 116.995 121.370 -4.375 1
1 57 . 11 1 1 A 13 13 TYR H H 13 8.156 8.763 -0.607 1
1 58 . 11 1 1 A 13 13 TYR HA H 13 4.936 4.955 -0.019 1
1 65 . 11 1 1 A 13 13 TYR CA C 13 58.533 56.837 1.696 1
1 68 . 11 1 1 A 13 13 TYR N N 13 121.972 120.148 1.824 1
1 69 . 11 1 1 A 14 14 LEU H H 14 8.803 8.430 0.373 1
1 70 . 11 1 1 A 14 14 LEU HA H 14 4.573 5.023 -0.450 1
1 80 . 11 1 1 A 14 14 LEU C C 14 175.845 175.981 -0.136 1
1 81 . 11 1 1 A 14 14 LEU CA C 14 54.141 53.145 0.996 1
1 82 . 11 1 1 A 14 14 LEU CB C 14 46.603 43.988 2.615 1
1 86 . 11 1 1 A 14 14 LEU N N 14 123.967 125.367 -1.400 1
1 87 . 11 1 1 A 15 15 ASN H H 15 8.090 8.799 -0.709 1
1 88 . 11 1 1 A 15 15 ASN HA H 15 5.669 5.755 -0.086 1
1 93 . 11 1 1 A 15 15 ASN C C 15 174.972 174.163 0.809 1
1 94 . 11 1 1 A 15 15 ASN CA C 15 51.589 52.305 -0.716 1
1 95 . 11 1 1 A 15 15 ASN CB C 15 40.317 40.094 0.223 1
1 96 . 11 1 1 A 15 15 ASN N N 15 117.248 119.580 -2.332 1
1 98 . 11 1 1 A 16 16 VAL H H 16 9.452 8.482 0.970 1
1 99 . 11 1 1 A 16 16 VAL HA H 16 4.743 4.545 0.198 1
1 107 . 11 1 1 A 16 16 VAL C C 16 174.269 176.207 -1.938 1
1 108 . 11 1 1 A 16 16 VAL CA C 16 60.574 62.026 -1.452 1
1 109 . 11 1 1 A 16 16 VAL CB C 16 35.194 32.399 2.795 1
1 112 . 11 1 1 A 16 16 VAL N N 16 122.909 125.776 -2.867 1
1 113 . 11 1 1 A 17 17 LEU H H 17 7.892 8.510 -0.618 1
1 114 . 11 1 1 A 17 17 LEU HA H 17 3.679 3.694 -0.015 1
1 124 . 11 1 1 A 17 17 LEU C C 17 175.747 175.121 0.626 1
1 125 . 11 1 1 A 17 17 LEU CA C 17 54.493 56.120 -1.627 1
1 126 . 11 1 1 A 17 17 LEU CB C 17 40.541 41.680 -1.139 1
1 130 . 11 1 1 A 17 17 LEU N N 17 130.093 130.730 -0.637 1
1 131 . 11 1 1 A 18 18 VAL H H 18 8.923 8.650 0.273 1
1 132 . 11 1 1 A 18 18 VAL HA H 18 4.053 4.279 -0.226 1
1 140 . 11 1 1 A 18 18 VAL C C 18 175.869 175.831 0.038 1
1 141 . 11 1 1 A 18 18 VAL CA C 18 61.285 61.210 0.075 1
1 142 . 11 1 1 A 18 18 VAL CB C 18 33.609 34.111 -0.502 1
1 145 . 11 1 1 A 18 18 VAL N N 18 130.417 128.184 2.233 1
1 146 . 11 1 1 A 19 19 ASN H H 19 9.323 9.435 -0.112 1
1 147 . 11 1 1 A 19 19 ASN HA H 19 4.232 4.309 -0.077 1
1 152 . 11 1 1 A 19 19 ASN C C 19 174.948 174.474 0.474 1
1 153 . 11 1 1 A 19 19 ASN CA C 19 54.809 54.550 0.259 1
1 154 . 11 1 1 A 19 19 ASN CB C 19 37.192 36.633 0.559 1
1 155 . 11 1 1 A 19 19 ASN N N 19 127.579 127.597 -0.018 1
1 157 . 11 1 1 A 20 20 SER H H 20 8.464 8.408 0.056 1
1 158 . 11 1 1 A 20 20 SER HA H 20 3.653 3.882 -0.229 1
1 161 . 11 1 1 A 20 20 SER C C 20 172.645 172.840 -0.195 1
1 162 . 11 1 1 A 20 20 SER CA C 20 60.458 59.623 0.835 1
1 163 . 11 1 1 A 20 20 SER CB C 20 62.584 61.169 1.415 1
1 164 . 11 1 1 A 20 20 SER N N 20 106.869 105.778 1.091 1
1 165 . 11 1 1 A 21 21 GLN H H 21 7.695 7.226 0.469 1
1 166 . 11 1 1 A 21 21 GLN HA H 21 4.591 4.664 -0.073 1
1 173 . 11 1 1 A 21 21 GLN C C 21 174.003 174.520 -0.517 1
1 174 . 11 1 1 A 21 21 GLN CA C 21 53.772 54.261 -0.489 1
1 175 . 11 1 1 A 21 21 GLN CB C 21 32.069 31.620 0.449 1
1 177 . 11 1 1 A 21 21 GLN N N 21 120.372 118.167 2.205 1
1 179 . 11 1 1 A 22 22 TRP H H 22 8.743 8.644 0.099 1
1 180 . 11 1 1 A 22 22 TRP HA H 22 4.690 4.838 -0.148 1
1 189 . 11 1 1 A 22 22 TRP C C 22 176.863 176.794 0.069 1
1 190 . 11 1 1 A 22 22 TRP CA C 22 57.062 57.934 -0.872 1
1 191 . 11 1 1 A 22 22 TRP CB C 22 29.323 29.665 -0.342 1
1 197 . 11 1 1 A 22 22 TRP N N 22 124.919 124.589 0.330 1
1 199 . 11 1 1 A 23 23 LYS H H 23 9.302 9.061 0.241 1
1 200 . 11 1 1 A 23 23 LYS HA H 23 4.798 5.026 -0.228 1
1 208 . 11 1 1 A 23 23 LYS C C 23 176.050 176.182 -0.132 1
1 209 . 11 1 1 A 23 23 LYS CA C 23 54.106 53.948 0.158 1
1 210 . 11 1 1 A 23 23 LYS CB C 23 35.583 35.831 -0.248 1
1 214 . 11 1 1 A 23 23 LYS N N 23 124.474 125.227 -0.753 1
1 215 . 11 1 1 A 24 24 SER H H 24 8.740 8.603 0.137 1
1 216 . 11 1 1 A 24 24 SER HA H 24 5.035 5.021 0.014 1
1 219 . 11 1 1 A 24 24 SER C C 24 175.905 173.910 1.995 1
1 220 . 11 1 1 A 24 24 SER CA C 24 58.857 58.409 0.448 1
1 221 . 11 1 1 A 24 24 SER CB C 24 63.489 63.539 -0.050 1
1 222 . 11 1 1 A 24 24 SER N N 24 118.568 118.050 0.518 1
1 223 . 11 1 1 A 25 25 ARG H H 25 9.302 9.170 0.132 1
1 224 . 11 1 1 A 25 25 ARG HA H 25 4.946 5.022 -0.076 1
1 231 . 11 1 1 A 25 25 ARG C C 25 173.724 174.712 -0.988 1
1 232 . 11 1 1 A 25 25 ARG CA C 25 54.440 55.015 -0.575 1
1 233 . 11 1 1 A 25 25 ARG CB C 25 34.825 34.170 0.655 1
1 236 . 11 1 1 A 25 25 ARG N N 25 126.895 123.200 3.695 1
1 237 . 11 1 1 A 26 26 TRP H H 26 8.668 9.033 -0.365 1
1 238 . 11 1 1 A 26 26 TRP HA H 26 4.780 4.947 -0.167 1
1 247 . 11 1 1 A 26 26 TRP C C 26 175.796 175.413 0.383 1
1 248 . 11 1 1 A 26 26 TRP CA C 26 57.555 56.201 1.354 1
1 249 . 11 1 1 A 26 26 TRP CB C 26 29.833 29.572 0.261 1
1 255 . 11 1 1 A 26 26 TRP N N 26 123.493 127.829 -4.336 1
1 257 . 11 1 1 A 27 27 CYS H H 27 8.884 8.086 0.798 1
1 258 . 11 1 1 A 27 27 CYS HA H 27 5.668 5.072 0.596 1
1 261 . 11 1 1 A 27 27 CYS C C 27 174.560 174.277 0.283 1
1 262 . 11 1 1 A 27 27 CYS CA C 27 58.184 58.203 -0.019 1
1 263 . 11 1 1 A 27 27 CYS CB C 27 31.516 28.855 2.661 1
1 264 . 11 1 1 A 27 27 CYS N N 27 124.947 125.903 -0.956 1
1 265 . 11 1 1 A 28 28 SER H H 28 8.566 8.952 -0.386 1
1 266 . 11 1 1 A 28 28 SER HA H 28 5.240 5.277 -0.037 1
1 269 . 11 1 1 A 28 28 SER C C 28 173.106 173.018 0.088 1
1 270 . 11 1 1 A 28 28 SER CA C 28 57.027 57.842 -0.815 1
1 271 . 11 1 1 A 28 28 SER CB C 28 66.738 65.792 0.946 1
1 272 . 11 1 1 A 28 28 SER N N 28 114.751 120.029 -5.278 1
1 273 . 11 1 1 A 29 29 VAL H H 29 8.843 8.939 -0.096 1
1 274 . 11 1 1 A 29 29 VAL HA H 29 5.302 4.577 0.725 1
1 282 . 11 1 1 A 29 29 VAL C C 29 175.905 175.228 0.677 1
1 283 . 11 1 1 A 29 29 VAL CA C 29 61.233 61.799 -0.566 1
1 284 . 11 1 1 A 29 29 VAL CB C 29 32.832 32.426 0.406 1
1 287 . 11 1 1 A 29 29 VAL N N 29 125.688 127.638 -1.950 1
1 288 . 11 1 1 A 30 30 ARG H H 30 8.964 9.272 -0.308 1
1 289 . 11 1 1 A 30 30 ARG HA H 30 4.620 4.813 -0.193 1
1 295 . 11 1 1 A 30 30 ARG C C 30 176.160 174.391 1.769 1
1 296 . 11 1 1 A 30 30 ARG CA C 30 55.901 54.180 1.721 1
1 297 . 11 1 1 A 30 30 ARG CB C 30 33.198 33.431 -0.233 1
1 300 . 11 1 1 A 30 30 ARG N N 30 125.513 125.729 -0.216 1
1 301 . 11 1 1 A 31 31 ASP H H 31 9.773 8.620 1.153 1
1 302 . 11 1 1 A 31 31 ASP HA H 31 4.451 4.520 -0.069 1
1 305 . 11 1 1 A 31 31 ASP C C 31 177.008 176.374 0.634 1
1 306 . 11 1 1 A 31 31 ASP CA C 31 55.936 55.006 0.930 1
1 307 . 11 1 1 A 31 31 ASP CB C 31 39.659 40.389 -0.730 1
1 308 . 11 1 1 A 31 31 ASP N N 31 127.085 122.089 4.996 1
1 309 . 11 1 1 A 32 32 ASN H H 32 9.639 8.734 0.905 1
1 310 . 11 1 1 A 32 32 ASN HA H 32 4.535 4.541 -0.006 1
1 315 . 11 1 1 A 32 32 ASN C C 32 172.766 173.823 -1.057 1
1 316 . 11 1 1 A 32 32 ASN CA C 32 55.549 54.225 1.324 1
1 317 . 11 1 1 A 32 32 ASN CB C 32 38.238 37.109 1.129 1
1 318 . 11 1 1 A 32 32 ASN N N 32 112.101 115.932 -3.831 1
1 320 . 11 1 1 A 33 33 HIS H H 33 8.292 8.206 0.086 1
1 321 . 11 1 1 A 33 33 HIS HA H 33 5.368 5.484 -0.116 1
1 326 . 11 1 1 A 33 33 HIS C C 33 172.718 173.623 -0.905 1
1 327 . 11 1 1 A 33 33 HIS CA C 33 55.303 54.841 0.462 1
1 328 . 11 1 1 A 33 33 HIS CB C 33 32.851 33.997 -1.146 1
1 331 . 11 1 1 A 33 33 HIS N N 33 116.294 116.369 -0.075 1
1 332 . 11 1 1 A 34 34 LEU H H 34 8.987 8.858 0.129 1
1 333 . 11 1 1 A 34 34 LEU HA H 34 4.784 4.928 -0.144 1
1 342 . 11 1 1 A 34 34 LEU C C 34 173.240 174.571 -1.331 1
1 343 . 11 1 1 A 34 34 LEU CA C 34 53.719 53.431 0.288 1
1 344 . 11 1 1 A 34 34 LEU CB C 34 45.147 43.571 1.576 1
1 348 . 11 1 1 A 34 34 LEU N N 34 122.961 125.621 -2.660 1
1 349 . 11 1 1 A 35 35 HIS H H 35 9.169 9.640 -0.471 1
1 350 . 11 1 1 A 35 35 HIS HA H 35 4.713 5.127 -0.414 1
1 355 . 11 1 1 A 35 35 HIS C C 35 174.778 174.252 0.526 1
1 356 . 11 1 1 A 35 35 HIS CA C 35 55.284 55.386 -0.102 1
1 357 . 11 1 1 A 35 35 HIS CB C 35 34.455 32.344 2.111 1
1 360 . 11 1 1 A 35 35 HIS N N 35 125.201 126.259 -1.058 1
1 361 . 11 1 1 A 36 36 PHE H H 36 9.522 8.847 0.675 1
1 362 . 11 1 1 A 36 36 PHE HA H 36 5.014 5.344 -0.330 1
1 370 . 11 1 1 A 36 36 PHE C C 36 174.911 173.861 1.050 1
1 371 . 11 1 1 A 36 36 PHE CA C 36 56.217 56.385 -0.168 1
1 372 . 11 1 1 A 36 36 PHE CB C 36 43.666 43.164 0.502 1
1 378 . 11 1 1 A 36 36 PHE N N 36 118.294 118.952 -0.658 1
1 379 . 11 1 1 A 37 37 TYR H H 37 9.783 8.905 0.878 1
1 380 . 11 1 1 A 37 37 TYR HA H 37 5.453 5.093 0.360 1
1 387 . 11 1 1 A 37 37 TYR C C 37 176.475 175.528 0.947 1
1 388 . 11 1 1 A 37 37 TYR CA C 37 57.185 56.812 0.373 1
1 389 . 11 1 1 A 37 37 TYR CB C 37 41.569 43.700 -2.131 1
1 394 . 11 1 1 A 37 37 TYR N N 37 121.241 119.979 1.262 1
1 395 . 11 1 1 A 38 38 GLN H H 38 9.233 8.773 0.460 1
1 396 . 11 1 1 A 38 38 GLN HA H 38 4.480 4.755 -0.275 1
1 403 . 11 1 1 A 38 38 GLN C C 38 175.408 176.218 -0.810 1
1 404 . 11 1 1 A 38 38 GLN CA C 38 57.977 57.024 0.953 1
1 405 . 11 1 1 A 38 38 GLN CB C 38 29.825 30.546 -0.721 1
1 407 . 11 1 1 A 38 38 GLN N N 38 119.348 120.332 -0.984 1
1 409 . 11 1 1 A 39 39 ASP H H 39 8.674 7.650 1.024 1
1 410 . 11 1 1 A 39 39 ASP HA H 39 4.849 4.712 0.137 1
1 413 . 11 1 1 A 39 39 ASP CA C 39 52.402 53.695 -1.293 1
1 414 . 11 1 1 A 39 39 ASP CB C 39 43.525 41.766 1.759 1
1 415 . 11 1 1 A 40 40 ARG H H 40 7.823 8.468 -0.645 1
1 416 . 11 1 1 A 40 40 ARG HA H 40 2.342 3.091 -0.749 1
1 423 . 11 1 1 A 40 40 ARG CA C 40 57.183 57.997 -0.814 1
1 424 . 11 1 1 A 40 40 ARG CB C 40 29.300 30.558 -1.258 1
1 427 . 11 1 1 A 40 40 ARG N N 40 119.412 121.513 -2.101 1
1 428 . 11 1 1 A 41 41 ASN H H 41 7.601 7.727 -0.126 1
1 429 . 11 1 1 A 41 41 ASN HA H 41 4.408 4.619 -0.211 1
1 434 . 11 1 1 A 41 41 ASN C C 41 174.584 173.659 0.925 1
1 435 . 11 1 1 A 41 41 ASN CA C 41 53.396 52.663 0.733 1
1 436 . 11 1 1 A 41 41 ASN CB C 41 37.847 38.167 -0.320 1
1 437 . 11 1 1 A 41 41 ASN N N 41 114.895 115.026 -0.131 1
1 439 . 11 1 1 A 42 42 ARG H H 42 7.927 7.283 0.644 1
1 440 . 11 1 1 A 42 42 ARG HA H 42 3.271 3.544 -0.273 1
1 446 . 11 1 1 A 42 42 ARG CA C 42 57.164 56.605 0.559 1
1 449 . 11 1 1 A 42 42 ARG N N 42 115.263 115.113 0.150 1
1 450 . 11 1 1 A 43 43 SER H H 43 9.112 7.805 1.307 1
1 451 . 11 1 1 A 43 43 SER HA H 43 4.444 4.365 0.079 1
1 454 . 11 1 1 A 43 43 SER CA C 43 59.742 61.697 -1.955 1
1 455 . 11 1 1 A 43 43 SER CB C 43 64.693 63.729 0.964 1
1 456 . 11 1 1 A 43 43 SER N N 43 115.094 112.945 2.149 1
1 457 . 11 1 1 A 44 44 LYS H H 44 8.543 7.786 0.757 1
1 458 . 11 1 1 A 44 44 LYS HA H 44 4.784 4.645 0.139 1
1 464 . 11 1 1 A 44 44 LYS C C 44 175.723 175.606 0.117 1
1 465 . 11 1 1 A 44 44 LYS CA C 44 55.091 54.845 0.246 1
1 466 . 11 1 1 A 44 44 LYS CB C 44 34.642 33.219 1.423 1
1 470 . 11 1 1 A 45 45 VAL H H 45 8.965 8.707 0.258 1
1 471 . 11 1 1 A 45 45 VAL HA H 45 4.043 4.216 -0.173 1
1 479 . 11 1 1 A 45 45 VAL C C 45 176.656 176.898 -0.242 1
1 480 . 11 1 1 A 45 45 VAL CA C 45 63.883 62.884 0.999 1
1 481 . 11 1 1 A 45 45 VAL CB C 45 32.621 32.561 0.060 1
1 484 . 11 1 1 A 45 45 VAL N N 45 127.663 127.337 0.326 1
1 485 . 11 1 1 A 46 46 ALA H H 46 9.214 8.554 0.660 1
1 486 . 11 1 1 A 46 46 ALA HA H 46 4.523 4.328 0.195 1
1 490 . 11 1 1 A 46 46 ALA C C 46 176.560 177.534 -0.974 1
1 491 . 11 1 1 A 46 46 ALA CA C 46 52.610 53.920 -1.310 1
1 492 . 11 1 1 A 46 46 ALA CB C 46 20.929 19.979 0.950 1
1 493 . 11 1 1 A 46 46 ALA N N 46 129.165 128.138 1.027 1
1 494 . 11 1 1 A 47 47 GLN H H 47 7.504 7.613 -0.109 1
1 495 . 11 1 1 A 47 47 GLN HA H 47 4.494 4.502 -0.008 1
1 502 . 11 1 1 A 47 47 GLN C C 47 173.057 174.415 -1.358 1
1 503 . 11 1 1 A 47 47 GLN CA C 47 54.458 54.850 -0.392 1
1 504 . 11 1 1 A 47 47 GLN CB C 47 30.918 30.159 0.759 1
1 506 . 11 1 1 A 47 47 GLN N N 47 112.591 112.160 0.431 1
1 508 . 11 1 1 A 48 48 GLN H H 48 8.541 8.217 0.324 1
1 509 . 11 1 1 A 48 48 GLN HA H 48 4.420 4.508 -0.088 1
1 516 . 11 1 1 A 48 48 GLN C C 48 172.864 174.043 -1.179 1
1 517 . 11 1 1 A 48 48 GLN CA C 48 54.774 54.510 0.264 1
1 518 . 11 1 1 A 48 48 GLN CB C 48 28.017 27.720 0.297 1
1 520 . 11 1 1 A 48 48 GLN N N 48 120.933 119.703 1.230 1
1 522 . 11 1 1 A 49 49 PRO HA H 49 4.963 4.557 0.406 1
1 529 . 11 1 1 A 49 49 PRO C C 49 177.105 175.352 1.753 1
1 530 . 11 1 1 A 49 49 PRO CA C 49 63.010 62.232 0.778 1
1 531 . 11 1 1 A 49 49 PRO CB C 49 32.625 32.290 0.335 1
1 534 . 11 1 1 A 50 50 LEU H H 50 8.937 8.792 0.145 1
1 535 . 11 1 1 A 50 50 LEU HA H 50 4.742 5.070 -0.328 1
1 545 . 11 1 1 A 50 50 LEU C C 50 176.147 175.459 0.688 1
1 546 . 11 1 1 A 50 50 LEU CA C 50 53.120 53.269 -0.149 1
1 547 . 11 1 1 A 50 50 LEU CB C 50 45.352 45.452 -0.100 1
1 551 . 11 1 1 A 50 50 LEU N N 50 121.454 122.008 -0.554 1
1 552 . 11 1 1 A 51 51 SER H H 51 8.771 8.627 0.144 1
1 553 . 11 1 1 A 51 51 SER HA H 51 3.434 4.322 -0.888 1
1 556 . 11 1 1 A 51 51 SER C C 51 175.081 174.589 0.492 1
1 557 . 11 1 1 A 51 51 SER CA C 51 57.936 56.889 1.047 1
1 558 . 11 1 1 A 51 51 SER CB C 51 62.378 62.556 -0.178 1
1 559 . 11 1 1 A 51 51 SER N N 51 120.178 117.999 2.179 1
1 560 . 11 1 1 A 52 52 LEU H H 52 8.045 7.976 0.069 1
1 561 . 11 1 1 A 52 52 LEU HA H 52 4.443 3.888 0.555 1
1 571 . 11 1 1 A 52 52 LEU C C 52 177.916 177.786 0.130 1
1 572 . 11 1 1 A 52 52 LEU CA C 52 55.105 57.819 -2.714 1
1 573 . 11 1 1 A 52 52 LEU CB C 52 42.762 41.359 1.403 1
1 577 . 11 1 1 A 52 52 LEU N N 52 125.348 127.063 -1.715 1
1 578 . 11 1 1 A 53 53 VAL H H 53 7.418 7.442 -0.024 1
1 579 . 11 1 1 A 53 53 VAL HA H 53 3.841 3.803 0.038 1
1 587 . 11 1 1 A 53 53 VAL C C 53 178.123 177.103 1.020 1
1 588 . 11 1 1 A 53 53 VAL CA C 53 64.893 64.756 0.137 1
1 589 . 11 1 1 A 53 53 VAL CB C 53 30.973 31.156 -0.183 1
1 592 . 11 1 1 A 53 53 VAL N N 53 119.590 118.555 1.035 1
1 593 . 11 1 1 A 54 54 GLY H H 54 9.187 8.807 0.380 1
1 594 . 11 1 1 A 54 54 GLY HA2 H 54 4.292 3.968 0.324 1
1 595 . 11 1 1 A 54 54 GLY HA3 H 54 3.934 4.048 -0.114 1
1 596 . 11 1 1 A 54 54 GLY C C 54 175.275 175.039 0.236 1
1 597 . 11 1 1 A 54 54 GLY CA C 54 45.906 45.045 0.861 1
1 598 . 11 1 1 A 54 54 GLY N N 54 115.764 114.871 0.893 1
1 599 . 11 1 1 A 55 55 CYS H H 55 7.871 8.098 -0.227 1
1 600 . 11 1 1 A 55 55 CYS HA H 55 5.052 4.633 0.419 1
1 603 . 11 1 1 A 55 55 CYS C C 55 174.112 173.531 0.581 1
1 604 . 11 1 1 A 55 55 CYS CA C 55 60.352 59.468 0.884 1
1 605 . 11 1 1 A 55 55 CYS CB C 55 28.779 29.327 -0.548 1
1 606 . 11 1 1 A 55 55 CYS N N 55 117.748 120.184 -2.436 1
1 607 . 11 1 1 A 56 56 GLU H H 56 9.140 8.645 0.495 1
1 608 . 11 1 1 A 56 56 GLU HA H 56 4.672 4.868 -0.196 1
1 612 . 11 1 1 A 56 56 GLU C C 56 175.105 174.542 0.563 1
1 613 . 11 1 1 A 56 56 GLU CA C 56 55.179 55.353 -0.174 1
1 614 . 11 1 1 A 56 56 GLU CB C 56 33.097 33.633 -0.536 1
1 616 . 11 1 1 A 56 56 GLU N N 56 120.179 121.990 -1.811 1
1 617 . 11 1 1 A 57 57 VAL H H 57 8.385 8.898 -0.513 1
1 618 . 11 1 1 A 57 57 VAL HA H 57 5.238 4.700 0.538 1
1 626 . 11 1 1 A 57 57 VAL C C 57 175.238 175.811 -0.573 1
1 627 . 11 1 1 A 57 57 VAL CA C 57 61.064 62.224 -1.160 1
1 628 . 11 1 1 A 57 57 VAL CB C 57 33.429 31.847 1.582 1
1 631 . 11 1 1 A 57 57 VAL N N 57 122.535 127.702 -5.167 1
1 632 . 11 1 1 A 58 58 VAL H H 58 8.884 9.122 -0.238 1
1 633 . 11 1 1 A 58 58 VAL HA H 58 5.053 4.917 0.136 1
1 641 . 11 1 1 A 58 58 VAL C C 58 174.027 173.327 0.700 1
1 642 . 11 1 1 A 58 58 VAL CA C 58 57.977 57.917 0.060 1
1 643 . 11 1 1 A 58 58 VAL CB C 58 35.583 34.532 1.051 1
1 646 . 11 1 1 A 58 58 VAL N N 58 122.081 121.940 0.141 1
1 647 . 11 1 1 A 59 59 PRO HA H 59 4.573 4.908 -0.335 1
1 654 . 11 1 1 A 59 59 PRO C C 59 175.457 175.162 0.295 1
1 655 . 11 1 1 A 59 59 PRO CA C 59 63.643 62.322 1.321 1
1 656 . 11 1 1 A 59 59 PRO CB C 59 32.915 29.951 2.964 1
1 659 . 11 1 1 A 60 60 ASP H H 60 8.989 8.404 0.585 1
1 660 . 11 1 1 A 60 60 ASP HA H 60 5.179 5.294 -0.115 1
1 663 . 11 1 1 A 60 60 ASP C C 60 172.742 174.232 -1.490 1
1 664 . 11 1 1 A 60 60 ASP CA C 60 52.698 50.916 1.782 1
1 665 . 11 1 1 A 60 60 ASP CB C 60 43.314 41.342 1.972 1
1 666 . 11 1 1 A 60 60 ASP N N 60 122.718 123.848 -1.130 1
1 667 . 11 1 1 A 61 61 PRO HA H 61 4.681 4.976 -0.295 1
1 674 . 11 1 1 A 61 61 PRO C C 61 177.420 175.202 2.218 1
1 675 . 11 1 1 A 61 61 PRO CA C 61 63.594 62.428 1.166 1
1 676 . 11 1 1 A 61 61 PRO CB C 61 32.950 32.914 0.036 1
1 679 . 11 1 1 A 62 62 SER H H 62 7.803 8.264 -0.461 1
1 680 . 11 1 1 A 62 62 SER HA H 62 4.797 4.983 -0.186 1
1 683 . 11 1 1 A 62 62 SER C C 62 174.851 174.609 0.242 1
1 684 . 11 1 1 A 62 62 SER CA C 62 56.896 55.788 1.108 1
1 685 . 11 1 1 A 62 62 SER CB C 62 63.959 65.635 -1.676 1
1 686 . 11 1 1 A 62 62 SER N N 62 115.582 114.982 0.600 1
1 687 . 11 1 1 A 63 63 PRO HA H 63 4.089 4.489 -0.400 1
1 694 . 11 1 1 A 63 63 PRO C C 63 177.105 176.050 1.055 1
1 695 . 11 1 1 A 63 63 PRO CA C 63 66.024 64.067 1.957 1
1 696 . 11 1 1 A 63 63 PRO CB C 63 31.763 31.469 0.294 1
1 699 . 11 1 1 A 64 64 ASP H H 64 8.361 8.225 0.136 1
1 700 . 11 1 1 A 64 64 ASP HA H 64 4.290 4.760 -0.470 1
1 703 . 11 1 1 A 64 64 ASP C C 64 174.802 175.165 -0.363 1
1 704 . 11 1 1 A 64 64 ASP CA C 64 54.458 54.086 0.372 1
1 705 . 11 1 1 A 64 64 ASP CB C 64 40.481 42.753 -2.272 1
1 706 . 11 1 1 A 64 64 ASP N N 64 111.867 117.341 -5.474 1
1 707 . 11 1 1 A 65 65 HIS H H 65 7.781 7.319 0.462 1
1 708 . 11 1 1 A 65 65 HIS HA H 65 4.558 4.594 -0.036 1
1 713 . 11 1 1 A 65 65 HIS C C 65 174.972 174.516 0.456 1
1 714 . 11 1 1 A 65 65 HIS CA C 65 54.370 54.383 -0.013 1
1 715 . 11 1 1 A 65 65 HIS CB C 65 28.450 32.120 -3.670 1
1 718 . 11 1 1 A 65 65 HIS N N 65 120.793 116.956 3.837 1
1 719 . 11 1 1 A 66 66 LEU H H 66 8.206 8.014 0.192 1
1 720 . 11 1 1 A 66 66 LEU HA H 66 3.893 4.297 -0.404 1
1 730 . 11 1 1 A 66 66 LEU C C 66 178.826 176.339 2.487 1
1 731 . 11 1 1 A 66 66 LEU CA C 66 57.857 54.131 3.726 1
1 732 . 11 1 1 A 66 66 LEU CB C 66 42.245 41.503 0.742 1
1 736 . 11 1 1 A 66 66 LEU N N 66 124.390 125.470 -1.080 1
1 737 . 11 1 1 A 67 67 TYR H H 67 8.612 7.534 1.078 1
1 738 . 11 1 1 A 67 67 TYR HA H 67 5.417 4.828 0.589 1
1 745 . 11 1 1 A 67 67 TYR C C 67 176.403 175.327 1.076 1
1 746 . 11 1 1 A 67 67 TYR CA C 67 55.320 57.907 -2.587 1
1 747 . 11 1 1 A 67 67 TYR CB C 67 35.524 38.916 -3.392 1
1 752 . 11 1 1 A 67 67 TYR N N 67 118.042 119.898 -1.856 1
1 753 . 11 1 1 A 68 68 SER H H 68 6.652 7.628 -0.976 1
1 754 . 11 1 1 A 68 68 SER HA H 68 5.742 5.193 0.549 1
1 757 . 11 1 1 A 68 68 SER C C 68 174.827 173.862 0.965 1
1 758 . 11 1 1 A 68 68 SER CA C 68 56.147 56.177 -0.030 1
1 759 . 11 1 1 A 68 68 SER CB C 68 65.504 65.417 0.087 1
1 760 . 11 1 1 A 68 68 SER N N 68 111.076 113.976 -2.900 1
1 761 . 11 1 1 A 69 69 PHE H H 69 9.089 8.407 0.682 1
1 762 . 11 1 1 A 69 69 PHE HA H 69 5.212 5.809 -0.597 1
1 770 . 11 1 1 A 69 69 PHE C C 69 171.676 172.894 -1.218 1
1 771 . 11 1 1 A 69 69 PHE CA C 69 55.918 55.269 0.649 1
1 772 . 11 1 1 A 69 69 PHE CB C 69 41.034 42.169 -1.135 1
1 778 . 11 1 1 A 69 69 PHE N N 69 121.539 118.422 3.117 1
1 779 . 11 1 1 A 70 70 ARG H H 70 9.299 8.994 0.305 1
1 780 . 11 1 1 A 70 70 ARG HA H 70 5.333 5.136 0.197 1
1 787 . 11 1 1 A 70 70 ARG C C 70 174.197 174.273 -0.076 1
1 788 . 11 1 1 A 70 70 ARG CA C 70 54.198 54.193 0.005 1
1 789 . 11 1 1 A 70 70 ARG CB C 70 35.236 34.231 1.005 1
1 792 . 11 1 1 A 70 70 ARG N N 70 117.458 118.373 -0.915 1
1 794 . 11 1 1 A 71 71 ILE H H 71 8.505 8.557 -0.052 1
1 795 . 11 1 1 A 71 71 ILE HA H 71 4.974 5.416 -0.442 1
1 805 . 11 1 1 A 71 71 ILE C C 71 174.996 175.051 -0.055 1
1 806 . 11 1 1 A 71 71 ILE CA C 71 60.622 59.892 0.730 1
1 807 . 11 1 1 A 71 71 ILE CB C 71 39.636 40.663 -1.027 1
1 811 . 11 1 1 A 71 71 ILE N N 71 119.757 122.794 -3.037 1
1 812 . 11 1 1 A 72 72 LEU H H 72 9.488 9.059 0.429 1
1 813 . 11 1 1 A 72 72 LEU HA H 72 5.473 5.426 0.047 1
1 823 . 11 1 1 A 72 72 LEU C C 72 176.172 176.279 -0.107 1
1 824 . 11 1 1 A 72 72 LEU CA C 72 53.507 53.950 -0.443 1
1 825 . 11 1 1 A 72 72 LEU CB C 72 46.393 46.035 0.358 1
1 829 . 11 1 1 A 72 72 LEU N N 72 128.277 126.623 1.654 1
1 830 . 11 1 1 A 73 73 HIS H H 73 9.087 8.708 0.379 1
1 831 . 11 1 1 A 73 73 HIS HA H 73 4.888 4.607 0.281 1
1 836 . 11 1 1 A 73 73 HIS C C 73 175.118 175.711 -0.593 1
1 837 . 11 1 1 A 73 73 HIS CA C 73 56.675 58.166 -1.491 1
1 838 . 11 1 1 A 73 73 HIS CB C 73 32.933 31.636 1.297 1
1 841 . 11 1 1 A 73 73 HIS N N 73 119.084 123.077 -3.993 1
1 842 . 11 1 1 A 74 74 LYS H H 74 9.551 7.939 1.612 1
1 843 . 11 1 1 A 74 74 LYS HA H 74 3.763 4.324 -0.561 1
1 852 . 11 1 1 A 74 74 LYS C C 74 176.851 176.561 0.290 1
1 853 . 11 1 1 A 74 74 LYS CA C 74 56.969 55.160 1.809 1
1 854 . 11 1 1 A 74 74 LYS CB C 74 29.766 32.651 -2.885 1
1 858 . 11 1 1 A 74 74 LYS N N 74 128.764 116.353 12.411 1
1 859 . 11 1 1 A 75 75 GLY H H 75 8.877 8.055 0.822 1
1 860 . 11 1 1 A 75 75 GLY HA2 H 75 3.523 3.922 -0.399 1
1 861 . 11 1 1 A 75 75 GLY HA3 H 75 4.213 3.932 0.281 1
1 862 . 11 1 1 A 75 75 GLY C C 75 173.566 173.961 -0.395 1
1 863 . 11 1 1 A 75 75 GLY CA C 75 45.346 45.407 -0.061 1
1 864 . 11 1 1 A 75 75 GLY N N 75 104.552 108.095 -3.543 1
1 865 . 11 1 1 A 76 76 GLU H H 76 7.922 7.955 -0.033 1
1 866 . 11 1 1 A 76 76 GLU HA H 76 4.491 4.715 -0.224 1
1 871 . 11 1 1 A 76 76 GLU C C 76 175.651 174.891 0.760 1
1 872 . 11 1 1 A 76 76 GLU CA C 76 54.721 54.877 -0.156 1
1 873 . 11 1 1 A 76 76 GLU CB C 76 31.187 31.959 -0.772 1
1 875 . 11 1 1 A 76 76 GLU N N 76 121.492 119.617 1.875 1
1 876 . 11 1 1 A 77 77 GLU H H 77 8.925 8.736 0.189 1
1 877 . 11 1 1 A 77 77 GLU HA H 77 4.309 5.028 -0.719 1
1 881 . 11 1 1 A 77 77 GLU C C 77 175.857 175.438 0.419 1
1 882 . 11 1 1 A 77 77 GLU CA C 77 57.412 54.908 2.504 1
1 883 . 11 1 1 A 77 77 GLU CB C 77 31.146 31.526 -0.380 1
1 885 . 11 1 1 A 77 77 GLU N N 77 125.541 121.494 4.047 1
1 886 . 11 1 1 A 78 78 LEU H H 78 9.475 8.733 0.742 1
1 887 . 11 1 1 A 78 78 LEU HA H 78 4.513 4.404 0.109 1
1 897 . 11 1 1 A 78 78 LEU C C 78 177.541 176.948 0.593 1
1 898 . 11 1 1 A 78 78 LEU CA C 78 55.443 56.109 -0.666 1
1 899 . 11 1 1 A 78 78 LEU CB C 78 43.776 42.515 1.261 1
1 903 . 11 1 1 A 78 78 LEU N N 78 128.715 129.025 -0.310 1
1 904 . 11 1 1 A 79 79 ALA H H 79 7.550 7.751 -0.201 1
1 905 . 11 1 1 A 79 79 ALA HA H 79 4.503 4.679 -0.176 1
1 909 . 11 1 1 A 79 79 ALA C C 79 174.342 175.280 -0.938 1
1 910 . 11 1 1 A 79 79 ALA CA C 79 51.906 51.260 0.646 1
1 911 . 11 1 1 A 79 79 ALA CB C 79 22.017 23.189 -1.172 1
1 912 . 11 1 1 A 79 79 ALA N N 79 116.317 117.017 -0.700 1
1 913 . 11 1 1 A 80 80 LYS H H 80 8.743 8.706 0.037 1
1 914 . 11 1 1 A 80 80 LYS HA H 80 4.725 4.836 -0.111 1
1 923 . 11 1 1 A 80 80 LYS C C 80 172.973 174.770 -1.797 1
1 924 . 11 1 1 A 80 80 LYS CA C 80 56.604 55.130 1.474 1
1 925 . 11 1 1 A 80 80 LYS CB C 80 34.331 35.941 -1.610 1
1 929 . 11 1 1 A 80 80 LYS N N 80 123.623 120.489 3.134 1
1 930 . 11 1 1 A 81 81 LEU H H 81 8.504 8.658 -0.154 1
1 931 . 11 1 1 A 81 81 LEU HA H 81 5.531 5.381 0.150 1
1 941 . 11 1 1 A 81 81 LEU C C 81 176.366 175.240 1.126 1
1 942 . 11 1 1 A 81 81 LEU CA C 81 53.665 52.963 0.702 1
1 943 . 11 1 1 A 81 81 LEU CB C 81 45.969 45.019 0.950 1
1 947 . 11 1 1 A 81 81 LEU N N 81 124.594 127.806 -3.212 1
1 948 . 11 1 1 A 82 82 GLU H H 82 9.018 8.387 0.631 1
1 949 . 11 1 1 A 82 82 GLU HA H 82 4.826 4.530 0.296 1
1 954 . 11 1 1 A 82 82 GLU C C 82 174.439 175.310 -0.871 1
1 955 . 11 1 1 A 82 82 GLU CA C 82 56.376 54.637 1.739 1
1 956 . 11 1 1 A 82 82 GLU CB C 82 32.852 32.695 0.157 1
1 958 . 11 1 1 A 82 82 GLU N N 82 118.819 121.197 -2.378 1
1 959 . 11 1 1 A 83 83 ALA H H 83 8.027 8.755 -0.728 1
1 960 . 11 1 1 A 83 83 ALA HA H 83 4.980 4.760 0.220 1
1 964 . 11 1 1 A 83 83 ALA C C 83 176.439 178.950 -2.511 1
1 965 . 11 1 1 A 83 83 ALA CA C 83 50.059 50.352 -0.293 1
1 966 . 11 1 1 A 83 83 ALA CB C 83 21.702 21.076 0.626 1
1 967 . 11 1 1 A 83 83 ALA N N 83 127.765 128.257 -0.492 1
1 968 . 11 1 1 A 84 84 LYS H H 84 9.017 8.683 0.334 1
1 969 . 11 1 1 A 84 84 LYS HA H 84 4.432 4.408 0.024 1
1 977 . 11 1 1 A 84 84 LYS C C 84 175.930 176.214 -0.284 1
1 978 . 11 1 1 A 84 84 LYS CA C 84 56.956 57.303 -0.347 1
1 979 . 11 1 1 A 84 84 LYS CB C 84 32.974 33.669 -0.695 1
1 983 . 11 1 1 A 84 84 LYS N N 84 115.456 116.666 -1.210 1
1 984 . 11 1 1 A 85 85 SER H H 85 7.324 7.670 -0.346 1
1 985 . 11 1 1 A 85 85 SER HA H 85 4.074 3.572 0.502 1
1 988 . 11 1 1 A 85 85 SER C C 85 173.421 173.225 0.196 1
1 989 . 11 1 1 A 85 85 SER CA C 85 56.038 55.576 0.462 1
1 990 . 11 1 1 A 85 85 SER CB C 85 66.506 65.310 1.196 1
1 991 . 11 1 1 A 85 85 SER N N 85 110.261 114.692 -4.431 1
1 992 . 11 1 1 A 86 86 SER H H 86 8.610 8.468 0.142 1
1 993 . 11 1 1 A 86 86 SER HA H 86 3.648 4.138 -0.490 1
1 996 . 11 1 1 A 86 86 SER C C 86 177.784 176.702 1.082 1
1 997 . 11 1 1 A 86 86 SER CA C 86 61.391 62.014 -0.623 1
1 998 . 11 1 1 A 86 86 SER CB C 86 62.378 63.189 -0.811 1
1 999 . 11 1 1 A 86 86 SER N N 86 117.136 119.170 -2.034 1
1 1000 . 11 1 1 A 87 87 GLU H H 87 8.890 7.160 1.730 1
1 1001 . 11 1 1 A 87 87 GLU HA H 87 4.031 4.075 -0.044 1
1 1006 . 11 1 1 A 87 87 GLU C C 87 179.492 179.118 0.374 1
1 1007 . 11 1 1 A 87 87 GLU CA C 87 59.983 59.390 0.593 1
1 1008 . 11 1 1 A 87 87 GLU CB C 87 28.969 29.111 -0.142 1
1 1010 . 11 1 1 A 87 87 GLU N N 87 123.189 122.152 1.037 1
1 1011 . 11 1 1 A 88 88 GLU H H 88 8.015 7.862 0.153 1
1 1012 . 11 1 1 A 88 88 GLU HA H 88 4.243 4.174 0.069 1
1 1017 . 11 1 1 A 88 88 GLU C C 88 178.472 178.898 -0.426 1
1 1018 . 11 1 1 A 88 88 GLU CA C 88 59.642 59.102 0.540 1
1 1019 . 11 1 1 A 88 88 GLU CB C 88 31.016 29.637 1.379 1
1 1021 . 11 1 1 A 88 88 GLU N N 88 121.015 119.933 1.082 1
1 1022 . 11 1 1 A 89 89 MET H H 89 8.334 8.328 0.006 1
1 1023 . 11 1 1 A 89 89 MET HA H 89 3.843 4.279 -0.436 1
1 1030 . 11 1 1 A 89 89 MET C C 89 177.396 178.573 -1.177 1
1 1031 . 11 1 1 A 89 89 MET CA C 89 60.458 58.084 2.374 1
1 1032 . 11 1 1 A 89 89 MET CB C 89 32.481 32.601 -0.120 1
1 1035 . 11 1 1 A 89 89 MET N N 89 119.764 118.991 0.773 1
1 1036 . 11 1 1 A 90 90 GLY H H 90 8.452 8.424 0.028 1
1 1037 . 11 1 1 A 90 90 GLY HA2 H 90 4.008 3.731 0.277 1
1 1038 . 11 1 1 A 90 90 GLY HA3 H 90 3.723 3.758 -0.035 1
1 1039 . 11 1 1 A 90 90 GLY C C 90 176.814 175.470 1.344 1
1 1040 . 11 1 1 A 90 90 GLY CA C 90 47.489 46.775 0.714 1
1 1041 . 11 1 1 A 90 90 GLY N N 90 105.180 108.611 -3.431 1
1 1042 . 11 1 1 A 91 91 HIS H H 91 7.919 7.814 0.105 1
1 1043 . 11 1 1 A 91 91 HIS HA H 91 4.329 4.186 0.143 1
1 1048 . 11 1 1 A 91 91 HIS C C 91 178.208 177.037 1.171 1
1 1049 . 11 1 1 A 91 91 HIS CA C 91 59.367 58.730 0.637 1
1 1050 . 11 1 1 A 91 91 HIS CB C 91 30.612 29.843 0.769 1
1 1053 . 11 1 1 A 91 91 HIS N N 91 121.929 121.070 0.859 1
1 1054 . 11 1 1 A 92 92 TRP H H 92 8.199 7.434 0.765 1
1 1055 . 11 1 1 A 92 92 TRP HA H 92 3.829 4.188 -0.359 1
1 1064 . 11 1 1 A 92 92 TRP C C 92 178.257 178.427 -0.170 1
1 1065 . 11 1 1 A 92 92 TRP CA C 92 62.464 59.582 2.882 1
1 1066 . 11 1 1 A 92 92 TRP CB C 92 29.190 29.605 -0.415 1
1 1072 . 11 1 1 A 92 92 TRP N N 92 120.070 117.975 2.095 1
1 1074 . 11 1 1 A 93 93 LEU H H 93 8.740 8.127 0.613 1
1 1075 . 11 1 1 A 93 93 LEU HA H 93 3.695 3.735 -0.040 1
1 1085 . 11 1 1 A 93 93 LEU C C 93 179.105 179.229 -0.124 1
1 1086 . 11 1 1 A 93 93 LEU CA C 93 59.076 58.233 0.843 1
1 1087 . 11 1 1 A 93 93 LEU CB C 93 40.993 41.623 -0.630 1
1 1091 . 11 1 1 A 93 93 LEU N N 93 119.445 120.224 -0.779 1
1 1092 . 11 1 1 A 94 94 GLY H H 94 7.616 8.096 -0.480 1
1 1093 . 11 1 1 A 94 94 GLY HA2 H 94 3.852 3.611 0.241 1
1 1094 . 11 1 1 A 94 94 GLY HA3 H 94 3.759 3.637 0.122 1
1 1095 . 11 1 1 A 94 94 GLY C C 94 176.693 175.613 1.080 1
1 1096 . 11 1 1 A 94 94 GLY CA C 94 47.120 47.094 0.026 1
1 1097 . 11 1 1 A 94 94 GLY N N 94 102.951 105.500 -2.549 1
1 1098 . 11 1 1 A 95 95 LEU H H 95 7.853 7.980 -0.127 1
1 1099 . 11 1 1 A 95 95 LEU HA H 95 4.024 4.010 0.014 1
1 1109 . 11 1 1 A 95 95 LEU C C 95 179.589 178.553 1.036 1
1 1110 . 11 1 1 A 95 95 LEU CA C 95 57.678 56.950 0.728 1
1 1111 . 11 1 1 A 95 95 LEU CB C 95 42.533 41.171 1.362 1
1 1115 . 11 1 1 A 95 95 LEU N N 95 123.479 123.068 0.411 1
1 1116 . 11 1 1 A 96 96 LEU H H 96 8.649 8.134 0.515 1
1 1117 . 11 1 1 A 96 96 LEU HA H 96 3.971 4.231 -0.260 1
1 1127 . 11 1 1 A 96 96 LEU C C 96 179.068 179.062 0.006 1
1 1128 . 11 1 1 A 96 96 LEU CA C 96 57.906 57.342 0.564 1
1 1129 . 11 1 1 A 96 96 LEU CB C 96 42.104 41.815 0.289 1
1 1133 . 11 1 1 A 96 96 LEU N N 96 118.046 118.482 -0.436 1
1 1134 . 11 1 1 A 97 97 LEU H H 97 8.198 8.502 -0.304 1
1 1135 . 11 1 1 A 97 97 LEU HA H 97 4.234 4.039 0.195 1
1 1145 . 11 1 1 A 97 97 LEU C C 97 180.177 178.728 1.449 1
1 1146 . 11 1 1 A 97 97 LEU CA C 97 57.361 58.056 -0.695 1
1 1147 . 11 1 1 A 97 97 LEU CB C 97 41.611 41.738 -0.127 1
1 1151 . 11 1 1 A 97 97 LEU N N 97 118.670 119.606 -0.936 1
1 1152 . 11 1 1 A 98 98 SER H H 98 7.818 8.042 -0.224 1
1 1153 . 11 1 1 A 98 98 SER HA H 98 4.328 4.021 0.307 1
1 1156 . 11 1 1 A 98 98 SER C C 98 176.863 177.178 -0.315 1
1 1157 . 11 1 1 A 98 98 SER CA C 98 61.004 61.623 -0.619 1
1 1158 . 11 1 1 A 98 98 SER CB C 98 63.322 62.955 0.367 1
1 1159 . 11 1 1 A 98 98 SER N N 98 115.679 113.121 2.558 1
1 1160 . 11 1 1 A 99 99 GLU H H 99 8.003 8.036 -0.033 1
1 1161 . 11 1 1 A 99 99 GLU HA H 99 4.193 4.175 0.018 1
1 1166 . 11 1 1 A 99 99 GLU C C 99 177.226 176.942 0.284 1
1 1167 . 11 1 1 A 99 99 GLU CA C 99 57.449 58.983 -1.534 1
1 1168 . 11 1 1 A 99 99 GLU CB C 99 30.260 29.352 0.908 1
1 1170 . 11 1 1 A 99 99 GLU N N 99 120.518 120.823 -0.305 1
1 1171 . 11 1 1 A 100 100 SER H H 100 7.892 8.038 -0.146 1
1 1172 . 11 1 1 A 100 100 SER HA H 100 4.582 4.473 0.109 1
1 1175 . 11 1 1 A 100 100 SER C C 100 175.881 174.721 1.160 1
1 1176 . 11 1 1 A 100 100 SER CA C 100 59.561 58.035 1.526 1
1 1177 . 11 1 1 A 100 100 SER CB C 100 64.188 63.016 1.172 1
1 1178 . 11 1 1 A 100 100 SER N N 100 113.686 113.064 0.622 1
1 1179 . 11 1 1 A 101 101 GLY H H 101 7.861 8.756 -0.895 1
1 1180 . 11 1 1 A 101 101 GLY HA2 H 101 4.114 3.955 0.159 1
1 1181 . 11 1 1 A 101 101 GLY HA3 H 101 4.063 3.958 0.105 1
1 1182 . 11 1 1 A 101 101 GLY C C 101 174.076 173.345 0.731 1
1 1183 . 11 1 1 A 101 101 GLY CA C 101 45.501 46.864 -1.363 1
1 1184 . 11 1 1 A 101 101 GLY N N 101 109.148 110.846 -1.698 1
1 1185 . 11 1 1 A 102 102 SER H H 102 8.260 8.721 -0.461 1
1 1186 . 11 1 1 A 102 102 SER HA H 102 4.543 4.820 -0.277 1
1 1189 . 11 1 1 A 102 102 SER C C 102 174.851 173.786 1.065 1
1 1190 . 11 1 1 A 102 102 SER CA C 102 58.646 58.986 -0.340 1
1 1191 . 11 1 1 A 102 102 SER CB C 102 64.211 63.590 0.621 1
1 1192 . 11 1 1 A 102 102 SER N N 102 116.298 121.123 -4.825 1
1 1193 . 11 1 1 A 103 103 GLY H H 103 8.252 8.545 -0.293 1
1 1194 . 11 1 1 A 103 103 GLY HA2 H 103 4.173 4.182 -0.009 1
1 1195 . 11 1 1 A 103 103 GLY HA3 H 103 4.074 4.183 -0.109 1
1 1196 . 11 1 1 A 103 103 GLY C C 103 171.773 172.391 -0.618 1
1 1197 . 11 1 1 A 103 103 GLY CA C 103 44.777 44.913 -0.136 1
1 1198 . 11 1 1 A 103 103 GLY N N 103 110.162 112.599 -2.437 1
1 1199 . 11 1 1 A 104 104 PRO HA H 104 4.515 4.302 0.213 1
1 1206 . 11 1 1 A 104 104 PRO CA C 104 63.224 63.372 -0.148 1
1 1207 . 11 1 1 A 104 104 PRO CB C 104 32.174 32.029 0.145 1
1 1210 . 11 1 1 A 105 105 SER H H 105 8.559 8.861 -0.302 1
1 1211 . 11 1 1 A 105 105 SER CA C 105 60.998 58.990 2.008 1
1 1212 . 11 1 1 A 105 105 SER CB C 105 63.768 61.099 2.669 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.952 3.751 0.201 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.952 3.821 0.131 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.197 174.614 -0.417 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.378 46.766 -1.388 1
1 5 . 12 1 1 A 8 8 LEU H H 8 8.030 7.632 0.398 1
1 6 . 12 1 1 A 8 8 LEU HA H 8 4.321 4.206 0.115 1
1 16 . 12 1 1 A 8 8 LEU C C 8 177.468 176.195 1.273 1
1 17 . 12 1 1 A 8 8 LEU CA C 8 55.320 54.867 0.453 1
1 18 . 12 1 1 A 8 8 LEU CB C 8 42.556 42.497 0.059 1
1 22 . 12 1 1 A 8 8 LEU N N 8 121.494 121.201 0.293 1
1 23 . 12 1 1 A 9 9 GLU H H 9 8.577 8.729 -0.152 1
1 24 . 12 1 1 A 9 9 GLU HA H 9 4.454 4.192 0.262 1
1 29 . 12 1 1 A 9 9 GLU C C 9 177.056 177.617 -0.561 1
1 30 . 12 1 1 A 9 9 GLU CA C 9 56.956 56.681 0.275 1
1 31 . 12 1 1 A 9 9 GLU CB C 9 30.237 30.163 0.074 1
1 33 . 12 1 1 A 9 9 GLU N N 9 121.449 124.694 -3.245 1
1 34 . 12 1 1 A 10 10 THR H H 10 8.189 8.561 -0.372 1
1 35 . 12 1 1 A 10 10 THR HA H 10 4.323 3.690 0.633 1
1 40 . 12 1 1 A 10 10 THR CA C 10 62.062 65.412 -3.350 1
1 41 . 12 1 1 A 10 10 THR CB C 10 69.441 68.124 1.317 1
1 43 . 12 1 1 A 10 10 THR N N 10 113.730 114.826 -1.096 1
1 44 . 12 1 1 A 11 11 SER H H 11 7.883 7.556 0.327 1
1 45 . 12 1 1 A 11 11 SER HA H 11 5.249 4.692 0.557 1
1 48 . 12 1 1 A 11 11 SER CA C 11 57.852 58.201 -0.349 1
1 49 . 12 1 1 A 11 11 SER CB C 11 65.426 63.569 1.857 1
1 50 . 12 1 1 A 12 12 SER H H 12 8.413 8.834 -0.421 1
1 51 . 12 1 1 A 12 12 SER HA H 12 4.467 4.614 -0.147 1
1 54 . 12 1 1 A 12 12 SER CA C 12 58.741 57.128 1.613 1
1 55 . 12 1 1 A 12 12 SER CB C 12 65.239 65.976 -0.737 1
1 56 . 12 1 1 A 12 12 SER N N 12 116.995 121.955 -4.960 1
1 57 . 12 1 1 A 13 13 TYR H H 13 8.156 7.625 0.531 1
1 58 . 12 1 1 A 13 13 TYR HA H 13 4.936 4.500 0.436 1
1 65 . 12 1 1 A 13 13 TYR CA C 13 58.533 56.558 1.975 1
1 68 . 12 1 1 A 13 13 TYR N N 13 121.972 120.261 1.711 1
1 69 . 12 1 1 A 14 14 LEU H H 14 8.803 8.546 0.257 1
1 70 . 12 1 1 A 14 14 LEU HA H 14 4.573 4.767 -0.194 1
1 80 . 12 1 1 A 14 14 LEU C C 14 175.845 176.006 -0.161 1
1 81 . 12 1 1 A 14 14 LEU CA C 14 54.141 53.234 0.907 1
1 82 . 12 1 1 A 14 14 LEU CB C 14 46.603 43.277 3.326 1
1 86 . 12 1 1 A 14 14 LEU N N 14 123.967 126.778 -2.811 1
1 87 . 12 1 1 A 15 15 ASN H H 15 8.090 8.543 -0.453 1
1 88 . 12 1 1 A 15 15 ASN HA H 15 5.669 5.319 0.350 1
1 93 . 12 1 1 A 15 15 ASN C C 15 174.972 174.339 0.633 1
1 94 . 12 1 1 A 15 15 ASN CA C 15 51.589 52.782 -1.193 1
1 95 . 12 1 1 A 15 15 ASN CB C 15 40.317 39.461 0.856 1
1 96 . 12 1 1 A 15 15 ASN N N 15 117.248 120.039 -2.791 1
1 98 . 12 1 1 A 16 16 VAL H H 16 9.452 8.791 0.661 1
1 99 . 12 1 1 A 16 16 VAL HA H 16 4.743 4.572 0.171 1
1 107 . 12 1 1 A 16 16 VAL C C 16 174.269 176.320 -2.051 1
1 108 . 12 1 1 A 16 16 VAL CA C 16 60.574 61.930 -1.356 1
1 109 . 12 1 1 A 16 16 VAL CB C 16 35.194 32.246 2.948 1
1 112 . 12 1 1 A 16 16 VAL N N 16 122.909 125.618 -2.709 1
1 113 . 12 1 1 A 17 17 LEU H H 17 7.892 8.731 -0.839 1
1 114 . 12 1 1 A 17 17 LEU HA H 17 3.679 3.711 -0.032 1
1 124 . 12 1 1 A 17 17 LEU C C 17 175.747 175.055 0.692 1
1 125 . 12 1 1 A 17 17 LEU CA C 17 54.493 56.114 -1.621 1
1 126 . 12 1 1 A 17 17 LEU CB C 17 40.541 41.603 -1.062 1
1 130 . 12 1 1 A 17 17 LEU N N 17 130.093 131.147 -1.054 1
1 131 . 12 1 1 A 18 18 VAL H H 18 8.923 8.420 0.503 1
1 132 . 12 1 1 A 18 18 VAL HA H 18 4.053 4.329 -0.276 1
1 140 . 12 1 1 A 18 18 VAL C C 18 175.869 176.052 -0.183 1
1 141 . 12 1 1 A 18 18 VAL CA C 18 61.285 61.136 0.149 1
1 142 . 12 1 1 A 18 18 VAL CB C 18 33.609 34.450 -0.841 1
1 145 . 12 1 1 A 18 18 VAL N N 18 130.417 128.011 2.406 1
1 146 . 12 1 1 A 19 19 ASN H H 19 9.323 9.102 0.221 1
1 147 . 12 1 1 A 19 19 ASN HA H 19 4.232 4.391 -0.159 1
1 152 . 12 1 1 A 19 19 ASN C C 19 174.948 175.405 -0.457 1
1 153 . 12 1 1 A 19 19 ASN CA C 19 54.809 53.810 0.999 1
1 154 . 12 1 1 A 19 19 ASN CB C 19 37.192 36.037 1.155 1
1 155 . 12 1 1 A 19 19 ASN N N 19 127.579 126.023 1.556 1
1 157 . 12 1 1 A 20 20 SER H H 20 8.464 8.409 0.055 1
1 158 . 12 1 1 A 20 20 SER HA H 20 3.653 3.978 -0.325 1
1 161 . 12 1 1 A 20 20 SER C C 20 172.645 172.860 -0.215 1
1 162 . 12 1 1 A 20 20 SER CA C 20 60.458 59.312 1.146 1
1 163 . 12 1 1 A 20 20 SER CB C 20 62.584 62.370 0.214 1
1 164 . 12 1 1 A 20 20 SER N N 20 106.869 113.631 -6.762 1
1 165 . 12 1 1 A 21 21 GLN H H 21 7.695 7.813 -0.118 1
1 166 . 12 1 1 A 21 21 GLN HA H 21 4.591 4.729 -0.138 1
1 173 . 12 1 1 A 21 21 GLN C C 21 174.003 174.535 -0.532 1
1 174 . 12 1 1 A 21 21 GLN CA C 21 53.772 54.335 -0.563 1
1 175 . 12 1 1 A 21 21 GLN CB C 21 32.069 31.677 0.392 1
1 177 . 12 1 1 A 21 21 GLN N N 21 120.372 118.213 2.159 1
1 179 . 12 1 1 A 22 22 TRP H H 22 8.743 8.709 0.034 1
1 180 . 12 1 1 A 22 22 TRP HA H 22 4.690 4.752 -0.062 1
1 189 . 12 1 1 A 22 22 TRP C C 22 176.863 176.731 0.132 1
1 190 . 12 1 1 A 22 22 TRP CA C 22 57.062 58.139 -1.077 1
1 191 . 12 1 1 A 22 22 TRP CB C 22 29.323 29.573 -0.250 1
1 197 . 12 1 1 A 22 22 TRP N N 22 124.919 124.059 0.860 1
1 199 . 12 1 1 A 23 23 LYS H H 23 9.302 8.933 0.369 1
1 200 . 12 1 1 A 23 23 LYS HA H 23 4.798 4.908 -0.110 1
1 208 . 12 1 1 A 23 23 LYS C C 23 176.050 174.725 1.325 1
1 209 . 12 1 1 A 23 23 LYS CA C 23 54.106 54.187 -0.081 1
1 210 . 12 1 1 A 23 23 LYS CB C 23 35.583 35.959 -0.376 1
1 214 . 12 1 1 A 23 23 LYS N N 23 124.474 124.842 -0.368 1
1 215 . 12 1 1 A 24 24 SER H H 24 8.740 8.654 0.086 1
1 216 . 12 1 1 A 24 24 SER HA H 24 5.035 5.005 0.030 1
1 219 . 12 1 1 A 24 24 SER C C 24 175.905 173.559 2.346 1
1 220 . 12 1 1 A 24 24 SER CA C 24 58.857 57.205 1.652 1
1 221 . 12 1 1 A 24 24 SER CB C 24 63.489 64.168 -0.679 1
1 222 . 12 1 1 A 24 24 SER N N 24 118.568 117.536 1.032 1
1 223 . 12 1 1 A 25 25 ARG H H 25 9.302 8.706 0.596 1
1 224 . 12 1 1 A 25 25 ARG HA H 25 4.946 5.107 -0.161 1
1 231 . 12 1 1 A 25 25 ARG C C 25 173.724 174.112 -0.388 1
1 232 . 12 1 1 A 25 25 ARG CA C 25 54.440 54.880 -0.440 1
1 233 . 12 1 1 A 25 25 ARG CB C 25 34.825 34.465 0.360 1
1 236 . 12 1 1 A 25 25 ARG N N 25 126.895 127.559 -0.664 1
1 237 . 12 1 1 A 26 26 TRP H H 26 8.668 8.832 -0.164 1
1 238 . 12 1 1 A 26 26 TRP HA H 26 4.780 5.163 -0.383 1
1 247 . 12 1 1 A 26 26 TRP C C 26 175.796 174.798 0.998 1
1 248 . 12 1 1 A 26 26 TRP CA C 26 57.555 56.210 1.345 1
1 249 . 12 1 1 A 26 26 TRP CB C 26 29.833 30.880 -1.047 1
1 255 . 12 1 1 A 26 26 TRP N N 26 123.493 127.678 -4.185 1
1 257 . 12 1 1 A 27 27 CYS H H 27 8.884 9.199 -0.315 1
1 258 . 12 1 1 A 27 27 CYS HA H 27 5.668 5.294 0.374 1
1 261 . 12 1 1 A 27 27 CYS C C 27 174.560 174.149 0.411 1
1 262 . 12 1 1 A 27 27 CYS CA C 27 58.184 57.485 0.699 1
1 263 . 12 1 1 A 27 27 CYS CB C 27 31.516 28.994 2.522 1
1 264 . 12 1 1 A 27 27 CYS N N 27 124.947 127.571 -2.624 1
1 265 . 12 1 1 A 28 28 SER H H 28 8.566 9.173 -0.607 1
1 266 . 12 1 1 A 28 28 SER HA H 28 5.240 5.453 -0.213 1
1 269 . 12 1 1 A 28 28 SER C C 28 173.106 173.147 -0.041 1
1 270 . 12 1 1 A 28 28 SER CA C 28 57.027 57.915 -0.888 1
1 271 . 12 1 1 A 28 28 SER CB C 28 66.738 65.807 0.931 1
1 272 . 12 1 1 A 28 28 SER N N 28 114.751 121.358 -6.607 1
1 273 . 12 1 1 A 29 29 VAL H H 29 8.843 9.122 -0.279 1
1 274 . 12 1 1 A 29 29 VAL HA H 29 5.302 4.965 0.337 1
1 282 . 12 1 1 A 29 29 VAL C C 29 175.905 175.679 0.226 1
1 283 . 12 1 1 A 29 29 VAL CA C 29 61.233 61.822 -0.589 1
1 284 . 12 1 1 A 29 29 VAL CB C 29 32.832 32.570 0.262 1
1 287 . 12 1 1 A 29 29 VAL N N 29 125.688 127.874 -2.186 1
1 288 . 12 1 1 A 30 30 ARG H H 30 8.964 9.388 -0.424 1
1 289 . 12 1 1 A 30 30 ARG HA H 30 4.620 4.550 0.070 1
1 295 . 12 1 1 A 30 30 ARG C C 30 176.160 175.356 0.804 1
1 296 . 12 1 1 A 30 30 ARG CA C 30 55.901 56.119 -0.218 1
1 297 . 12 1 1 A 30 30 ARG CB C 30 33.198 33.146 0.052 1
1 300 . 12 1 1 A 30 30 ARG N N 30 125.513 125.637 -0.124 1
1 301 . 12 1 1 A 31 31 ASP H H 31 9.773 9.687 0.086 1
1 302 . 12 1 1 A 31 31 ASP HA H 31 4.451 4.337 0.114 1
1 305 . 12 1 1 A 31 31 ASP C C 31 177.008 175.218 1.790 1
1 306 . 12 1 1 A 31 31 ASP CA C 31 55.936 55.209 0.727 1
1 307 . 12 1 1 A 31 31 ASP CB C 31 39.659 39.569 0.090 1
1 308 . 12 1 1 A 31 31 ASP N N 31 127.085 125.946 1.139 1
1 309 . 12 1 1 A 32 32 ASN H H 32 9.639 8.188 1.451 1
1 310 . 12 1 1 A 32 32 ASN HA H 32 4.535 4.565 -0.030 1
1 315 . 12 1 1 A 32 32 ASN C C 32 172.766 173.782 -1.016 1
1 316 . 12 1 1 A 32 32 ASN CA C 32 55.549 54.680 0.869 1
1 317 . 12 1 1 A 32 32 ASN CB C 32 38.238 37.054 1.184 1
1 318 . 12 1 1 A 32 32 ASN N N 32 112.101 109.305 2.796 1
1 320 . 12 1 1 A 33 33 HIS H H 33 8.292 7.727 0.565 1
1 321 . 12 1 1 A 33 33 HIS HA H 33 5.368 5.324 0.044 1
1 326 . 12 1 1 A 33 33 HIS C C 33 172.718 173.434 -0.716 1
1 327 . 12 1 1 A 33 33 HIS CA C 33 55.303 54.571 0.732 1
1 328 . 12 1 1 A 33 33 HIS CB C 33 32.851 34.181 -1.330 1
1 331 . 12 1 1 A 33 33 HIS N N 33 116.294 116.234 0.060 1
1 332 . 12 1 1 A 34 34 LEU H H 34 8.987 8.678 0.309 1
1 333 . 12 1 1 A 34 34 LEU HA H 34 4.784 4.990 -0.206 1
1 342 . 12 1 1 A 34 34 LEU C C 34 173.240 174.887 -1.647 1
1 343 . 12 1 1 A 34 34 LEU CA C 34 53.719 53.591 0.128 1
1 344 . 12 1 1 A 34 34 LEU CB C 34 45.147 43.818 1.329 1
1 348 . 12 1 1 A 34 34 LEU N N 34 122.961 125.254 -2.293 1
1 349 . 12 1 1 A 35 35 HIS H H 35 9.169 9.437 -0.268 1
1 350 . 12 1 1 A 35 35 HIS HA H 35 4.713 4.987 -0.274 1
1 355 . 12 1 1 A 35 35 HIS C C 35 174.778 174.771 0.007 1
1 356 . 12 1 1 A 35 35 HIS CA C 35 55.284 56.059 -0.775 1
1 357 . 12 1 1 A 35 35 HIS CB C 35 34.455 30.978 3.477 1
1 360 . 12 1 1 A 35 35 HIS N N 35 125.201 126.203 -1.002 1
1 361 . 12 1 1 A 36 36 PHE H H 36 9.522 9.212 0.310 1
1 362 . 12 1 1 A 36 36 PHE HA H 36 5.014 5.339 -0.325 1
1 370 . 12 1 1 A 36 36 PHE C C 36 174.911 174.261 0.650 1
1 371 . 12 1 1 A 36 36 PHE CA C 36 56.217 55.808 0.409 1
1 372 . 12 1 1 A 36 36 PHE CB C 36 43.666 41.362 2.304 1
1 378 . 12 1 1 A 36 36 PHE N N 36 118.294 120.412 -2.118 1
1 379 . 12 1 1 A 37 37 TYR H H 37 9.783 9.321 0.462 1
1 380 . 12 1 1 A 37 37 TYR HA H 37 5.453 5.132 0.321 1
1 387 . 12 1 1 A 37 37 TYR C C 37 176.475 175.876 0.599 1
1 388 . 12 1 1 A 37 37 TYR CA C 37 57.185 56.615 0.570 1
1 389 . 12 1 1 A 37 37 TYR CB C 37 41.569 43.346 -1.777 1
1 394 . 12 1 1 A 37 37 TYR N N 37 121.241 121.288 -0.047 1
1 395 . 12 1 1 A 38 38 GLN H H 38 9.233 8.982 0.251 1
1 396 . 12 1 1 A 38 38 GLN HA H 38 4.480 4.689 -0.209 1
1 403 . 12 1 1 A 38 38 GLN C C 38 175.408 176.181 -0.773 1
1 404 . 12 1 1 A 38 38 GLN CA C 38 57.977 57.388 0.589 1
1 405 . 12 1 1 A 38 38 GLN CB C 38 29.825 30.283 -0.458 1
1 407 . 12 1 1 A 38 38 GLN N N 38 119.348 121.074 -1.726 1
1 409 . 12 1 1 A 39 39 ASP H H 39 8.674 8.042 0.632 1
1 410 . 12 1 1 A 39 39 ASP HA H 39 4.849 4.825 0.024 1
1 413 . 12 1 1 A 39 39 ASP CA C 39 52.402 53.642 -1.240 1
1 414 . 12 1 1 A 39 39 ASP CB C 39 43.525 41.879 1.646 1
1 415 . 12 1 1 A 40 40 ARG H H 40 7.823 8.556 -0.733 1
1 416 . 12 1 1 A 40 40 ARG HA H 40 2.342 3.469 -1.127 1
1 423 . 12 1 1 A 40 40 ARG CA C 40 57.183 55.834 1.349 1
1 424 . 12 1 1 A 40 40 ARG CB C 40 29.300 29.945 -0.645 1
1 427 . 12 1 1 A 40 40 ARG N N 40 119.412 119.339 0.073 1
1 428 . 12 1 1 A 41 41 ASN H H 41 7.601 7.596 0.005 1
1 429 . 12 1 1 A 41 41 ASN HA H 41 4.408 4.893 -0.485 1
1 434 . 12 1 1 A 41 41 ASN C C 41 174.584 174.085 0.499 1
1 435 . 12 1 1 A 41 41 ASN CA C 41 53.396 52.363 1.033 1
1 436 . 12 1 1 A 41 41 ASN CB C 41 37.847 39.109 -1.262 1
1 437 . 12 1 1 A 41 41 ASN N N 41 114.895 117.736 -2.841 1
1 439 . 12 1 1 A 42 42 ARG H H 42 7.927 7.459 0.468 1
1 440 . 12 1 1 A 42 42 ARG HA H 42 3.271 3.115 0.156 1
1 446 . 12 1 1 A 42 42 ARG CA C 42 57.164 56.557 0.607 1
1 449 . 12 1 1 A 42 42 ARG N N 42 115.263 115.749 -0.486 1
1 450 . 12 1 1 A 43 43 SER H H 43 9.112 7.852 1.260 1
1 451 . 12 1 1 A 43 43 SER HA H 43 4.444 4.948 -0.504 1
1 454 . 12 1 1 A 43 43 SER CA C 43 59.742 56.201 3.541 1
1 455 . 12 1 1 A 43 43 SER CB C 43 64.693 66.029 -1.336 1
1 456 . 12 1 1 A 43 43 SER N N 43 115.094 113.432 1.662 1
1 457 . 12 1 1 A 44 44 LYS H H 44 8.543 8.781 -0.238 1
1 458 . 12 1 1 A 44 44 LYS HA H 44 4.784 3.796 0.988 1
1 464 . 12 1 1 A 44 44 LYS C C 44 175.723 175.498 0.225 1
1 465 . 12 1 1 A 44 44 LYS CA C 44 55.091 56.918 -1.827 1
1 466 . 12 1 1 A 44 44 LYS CB C 44 34.642 29.907 4.735 1
1 470 . 12 1 1 A 45 45 VAL H H 45 8.965 7.764 1.201 1
1 471 . 12 1 1 A 45 45 VAL HA H 45 4.043 4.000 0.043 1
1 479 . 12 1 1 A 45 45 VAL C C 45 176.656 177.101 -0.445 1
1 480 . 12 1 1 A 45 45 VAL CA C 45 63.883 62.239 1.644 1
1 481 . 12 1 1 A 45 45 VAL CB C 45 32.621 32.371 0.250 1
1 484 . 12 1 1 A 45 45 VAL N N 45 127.663 116.659 11.004 1
1 485 . 12 1 1 A 46 46 ALA H H 46 9.214 8.317 0.897 1
1 486 . 12 1 1 A 46 46 ALA HA H 46 4.523 4.120 0.403 1
1 490 . 12 1 1 A 46 46 ALA C C 46 176.560 177.225 -0.665 1
1 491 . 12 1 1 A 46 46 ALA CA C 46 52.610 54.359 -1.749 1
1 492 . 12 1 1 A 46 46 ALA CB C 46 20.929 19.391 1.538 1
1 493 . 12 1 1 A 46 46 ALA N N 46 129.165 126.445 2.720 1
1 494 . 12 1 1 A 47 47 GLN H H 47 7.504 7.631 -0.127 1
1 495 . 12 1 1 A 47 47 GLN HA H 47 4.494 4.511 -0.017 1
1 502 . 12 1 1 A 47 47 GLN C C 47 173.057 173.685 -0.628 1
1 503 . 12 1 1 A 47 47 GLN CA C 47 54.458 54.864 -0.406 1
1 504 . 12 1 1 A 47 47 GLN CB C 47 30.918 30.226 0.692 1
1 506 . 12 1 1 A 47 47 GLN N N 47 112.591 111.576 1.015 1
1 508 . 12 1 1 A 48 48 GLN H H 48 8.541 8.465 0.076 1
1 509 . 12 1 1 A 48 48 GLN HA H 48 4.420 4.211 0.209 1
1 516 . 12 1 1 A 48 48 GLN C C 48 172.864 174.862 -1.998 1
1 517 . 12 1 1 A 48 48 GLN CA C 48 54.774 53.965 0.809 1
1 518 . 12 1 1 A 48 48 GLN CB C 48 28.017 29.394 -1.377 1
1 520 . 12 1 1 A 48 48 GLN N N 48 120.933 120.890 0.043 1
1 522 . 12 1 1 A 49 49 PRO HA H 49 4.963 4.715 0.248 1
1 529 . 12 1 1 A 49 49 PRO C C 49 177.105 175.361 1.744 1
1 530 . 12 1 1 A 49 49 PRO CA C 49 63.010 62.158 0.852 1
1 531 . 12 1 1 A 49 49 PRO CB C 49 32.625 32.330 0.295 1
1 534 . 12 1 1 A 50 50 LEU H H 50 8.937 8.646 0.291 1
1 535 . 12 1 1 A 50 50 LEU HA H 50 4.742 5.053 -0.311 1
1 545 . 12 1 1 A 50 50 LEU C C 50 176.147 175.353 0.794 1
1 546 . 12 1 1 A 50 50 LEU CA C 50 53.120 53.097 0.023 1
1 547 . 12 1 1 A 50 50 LEU CB C 50 45.352 45.496 -0.144 1
1 551 . 12 1 1 A 50 50 LEU N N 50 121.454 122.084 -0.630 1
1 552 . 12 1 1 A 51 51 SER H H 51 8.771 8.353 0.418 1
1 553 . 12 1 1 A 51 51 SER HA H 51 3.434 3.932 -0.498 1
1 556 . 12 1 1 A 51 51 SER C C 51 175.081 174.595 0.486 1
1 557 . 12 1 1 A 51 51 SER CA C 51 57.936 56.364 1.572 1
1 558 . 12 1 1 A 51 51 SER CB C 51 62.378 62.855 -0.477 1
1 559 . 12 1 1 A 51 51 SER N N 51 120.178 115.406 4.772 1
1 560 . 12 1 1 A 52 52 LEU H H 52 8.045 7.947 0.098 1
1 561 . 12 1 1 A 52 52 LEU HA H 52 4.443 3.849 0.594 1
1 571 . 12 1 1 A 52 52 LEU C C 52 177.916 177.798 0.118 1
1 572 . 12 1 1 A 52 52 LEU CA C 52 55.105 57.945 -2.840 1
1 573 . 12 1 1 A 52 52 LEU CB C 52 42.762 41.446 1.316 1
1 577 . 12 1 1 A 52 52 LEU N N 52 125.348 126.766 -1.418 1
1 578 . 12 1 1 A 53 53 VAL H H 53 7.418 7.502 -0.084 1
1 579 . 12 1 1 A 53 53 VAL HA H 53 3.841 3.840 0.001 1
1 587 . 12 1 1 A 53 53 VAL C C 53 178.123 177.018 1.105 1
1 588 . 12 1 1 A 53 53 VAL CA C 53 64.893 64.773 0.120 1
1 589 . 12 1 1 A 53 53 VAL CB C 53 30.973 31.165 -0.192 1
1 592 . 12 1 1 A 53 53 VAL N N 53 119.590 117.553 2.037 1
1 593 . 12 1 1 A 54 54 GLY H H 54 9.187 8.769 0.418 1
1 594 . 12 1 1 A 54 54 GLY HA2 H 54 4.292 4.024 0.268 1
1 595 . 12 1 1 A 54 54 GLY HA3 H 54 3.934 4.094 -0.160 1
1 596 . 12 1 1 A 54 54 GLY C C 54 175.275 174.931 0.344 1
1 597 . 12 1 1 A 54 54 GLY CA C 54 45.906 45.198 0.708 1
1 598 . 12 1 1 A 54 54 GLY N N 54 115.764 114.772 0.992 1
1 599 . 12 1 1 A 55 55 CYS H H 55 7.871 7.953 -0.082 1
1 600 . 12 1 1 A 55 55 CYS HA H 55 5.052 4.638 0.414 1
1 603 . 12 1 1 A 55 55 CYS C C 55 174.112 173.594 0.518 1
1 604 . 12 1 1 A 55 55 CYS CA C 55 60.352 59.607 0.745 1
1 605 . 12 1 1 A 55 55 CYS CB C 55 28.779 29.034 -0.255 1
1 606 . 12 1 1 A 55 55 CYS N N 55 117.748 120.240 -2.492 1
1 607 . 12 1 1 A 56 56 GLU H H 56 9.140 8.807 0.333 1
1 608 . 12 1 1 A 56 56 GLU HA H 56 4.672 4.940 -0.268 1
1 612 . 12 1 1 A 56 56 GLU C C 56 175.105 174.581 0.524 1
1 613 . 12 1 1 A 56 56 GLU CA C 56 55.179 55.070 0.109 1
1 614 . 12 1 1 A 56 56 GLU CB C 56 33.097 33.553 -0.456 1
1 616 . 12 1 1 A 56 56 GLU N N 56 120.179 122.912 -2.733 1
1 617 . 12 1 1 A 57 57 VAL H H 57 8.385 8.899 -0.514 1
1 618 . 12 1 1 A 57 57 VAL HA H 57 5.238 4.776 0.462 1
1 626 . 12 1 1 A 57 57 VAL C C 57 175.238 175.911 -0.673 1
1 627 . 12 1 1 A 57 57 VAL CA C 57 61.064 62.253 -1.189 1
1 628 . 12 1 1 A 57 57 VAL CB C 57 33.429 31.781 1.648 1
1 631 . 12 1 1 A 57 57 VAL N N 57 122.535 127.372 -4.837 1
1 632 . 12 1 1 A 58 58 VAL H H 58 8.884 9.193 -0.309 1
1 633 . 12 1 1 A 58 58 VAL HA H 58 5.053 4.896 0.157 1
1 641 . 12 1 1 A 58 58 VAL C C 58 174.027 173.688 0.339 1
1 642 . 12 1 1 A 58 58 VAL CA C 58 57.977 57.983 -0.006 1
1 643 . 12 1 1 A 58 58 VAL CB C 58 35.583 34.196 1.387 1
1 646 . 12 1 1 A 58 58 VAL N N 58 122.081 122.067 0.014 1
1 647 . 12 1 1 A 59 59 PRO HA H 59 4.573 4.910 -0.337 1
1 654 . 12 1 1 A 59 59 PRO C C 59 175.457 175.171 0.286 1
1 655 . 12 1 1 A 59 59 PRO CA C 59 63.643 62.322 1.321 1
1 656 . 12 1 1 A 59 59 PRO CB C 59 32.915 29.883 3.032 1
1 659 . 12 1 1 A 60 60 ASP H H 60 8.989 8.407 0.582 1
1 660 . 12 1 1 A 60 60 ASP HA H 60 5.179 5.303 -0.124 1
1 663 . 12 1 1 A 60 60 ASP C C 60 172.742 174.169 -1.427 1
1 664 . 12 1 1 A 60 60 ASP CA C 60 52.698 50.913 1.785 1
1 665 . 12 1 1 A 60 60 ASP CB C 60 43.314 41.344 1.970 1
1 666 . 12 1 1 A 60 60 ASP N N 60 122.718 123.848 -1.130 1
1 667 . 12 1 1 A 61 61 PRO HA H 61 4.681 4.867 -0.186 1
1 674 . 12 1 1 A 61 61 PRO C C 61 177.420 176.298 1.122 1
1 675 . 12 1 1 A 61 61 PRO CA C 61 63.594 62.487 1.107 1
1 676 . 12 1 1 A 61 61 PRO CB C 61 32.950 32.567 0.383 1
1 679 . 12 1 1 A 62 62 SER H H 62 7.803 8.350 -0.547 1
1 680 . 12 1 1 A 62 62 SER HA H 62 4.797 4.977 -0.180 1
1 683 . 12 1 1 A 62 62 SER C C 62 174.851 174.126 0.725 1
1 684 . 12 1 1 A 62 62 SER CA C 62 56.896 55.173 1.723 1
1 685 . 12 1 1 A 62 62 SER CB C 62 63.959 64.687 -0.728 1
1 686 . 12 1 1 A 62 62 SER N N 62 115.582 115.161 0.421 1
1 687 . 12 1 1 A 63 63 PRO HA H 63 4.089 4.481 -0.392 1
1 694 . 12 1 1 A 63 63 PRO C C 63 177.105 176.074 1.031 1
1 695 . 12 1 1 A 63 63 PRO CA C 63 66.024 64.110 1.914 1
1 696 . 12 1 1 A 63 63 PRO CB C 63 31.763 31.481 0.282 1
1 699 . 12 1 1 A 64 64 ASP H H 64 8.361 8.189 0.172 1
1 700 . 12 1 1 A 64 64 ASP HA H 64 4.290 4.725 -0.435 1
1 703 . 12 1 1 A 64 64 ASP C C 64 174.802 175.568 -0.766 1
1 704 . 12 1 1 A 64 64 ASP CA C 64 54.458 54.614 -0.156 1
1 705 . 12 1 1 A 64 64 ASP CB C 64 40.481 43.557 -3.076 1
1 706 . 12 1 1 A 64 64 ASP N N 64 111.867 117.293 -5.426 1
1 707 . 12 1 1 A 65 65 HIS H H 65 7.781 7.733 0.048 1
1 708 . 12 1 1 A 65 65 HIS HA H 65 4.558 4.684 -0.126 1
1 713 . 12 1 1 A 65 65 HIS C C 65 174.972 174.594 0.378 1
1 714 . 12 1 1 A 65 65 HIS CA C 65 54.370 54.540 -0.170 1
1 715 . 12 1 1 A 65 65 HIS CB C 65 28.450 31.486 -3.036 1
1 718 . 12 1 1 A 65 65 HIS N N 65 120.793 116.056 4.737 1
1 719 . 12 1 1 A 66 66 LEU H H 66 8.206 8.091 0.115 1
1 720 . 12 1 1 A 66 66 LEU HA H 66 3.893 4.211 -0.318 1
1 730 . 12 1 1 A 66 66 LEU C C 66 178.826 176.372 2.454 1
1 731 . 12 1 1 A 66 66 LEU CA C 66 57.857 54.346 3.511 1
1 732 . 12 1 1 A 66 66 LEU CB C 66 42.245 41.431 0.814 1
1 736 . 12 1 1 A 66 66 LEU N N 66 124.390 125.335 -0.945 1
1 737 . 12 1 1 A 67 67 TYR H H 67 8.612 7.616 0.996 1
1 738 . 12 1 1 A 67 67 TYR HA H 67 5.417 4.908 0.509 1
1 745 . 12 1 1 A 67 67 TYR C C 67 176.403 175.047 1.356 1
1 746 . 12 1 1 A 67 67 TYR CA C 67 55.320 57.365 -2.045 1
1 747 . 12 1 1 A 67 67 TYR CB C 67 35.524 38.072 -2.548 1
1 752 . 12 1 1 A 67 67 TYR N N 67 118.042 119.347 -1.305 1
1 753 . 12 1 1 A 68 68 SER H H 68 6.652 7.767 -1.115 1
1 754 . 12 1 1 A 68 68 SER HA H 68 5.742 5.387 0.355 1
1 757 . 12 1 1 A 68 68 SER C C 68 174.827 173.723 1.104 1
1 758 . 12 1 1 A 68 68 SER CA C 68 56.147 56.403 -0.256 1
1 759 . 12 1 1 A 68 68 SER CB C 68 65.504 65.491 0.013 1
1 760 . 12 1 1 A 68 68 SER N N 68 111.076 112.645 -1.569 1
1 761 . 12 1 1 A 69 69 PHE H H 69 9.089 8.196 0.893 1
1 762 . 12 1 1 A 69 69 PHE HA H 69 5.212 5.709 -0.497 1
1 770 . 12 1 1 A 69 69 PHE C C 69 171.676 172.790 -1.114 1
1 771 . 12 1 1 A 69 69 PHE CA C 69 55.918 55.366 0.552 1
1 772 . 12 1 1 A 69 69 PHE CB C 69 41.034 42.152 -1.118 1
1 778 . 12 1 1 A 69 69 PHE N N 69 121.539 118.478 3.061 1
1 779 . 12 1 1 A 70 70 ARG H H 70 9.299 9.023 0.276 1
1 780 . 12 1 1 A 70 70 ARG HA H 70 5.333 5.143 0.190 1
1 787 . 12 1 1 A 70 70 ARG C C 70 174.197 174.241 -0.044 1
1 788 . 12 1 1 A 70 70 ARG CA C 70 54.198 54.371 -0.173 1
1 789 . 12 1 1 A 70 70 ARG CB C 70 35.236 34.127 1.109 1
1 792 . 12 1 1 A 70 70 ARG N N 70 117.458 118.139 -0.681 1
1 794 . 12 1 1 A 71 71 ILE H H 71 8.505 8.505 0.000 1
1 795 . 12 1 1 A 71 71 ILE HA H 71 4.974 5.271 -0.297 1
1 805 . 12 1 1 A 71 71 ILE C C 71 174.996 175.316 -0.320 1
1 806 . 12 1 1 A 71 71 ILE CA C 71 60.622 59.635 0.987 1
1 807 . 12 1 1 A 71 71 ILE CB C 71 39.636 40.281 -0.645 1
1 811 . 12 1 1 A 71 71 ILE N N 71 119.757 122.946 -3.189 1
1 812 . 12 1 1 A 72 72 LEU H H 72 9.488 9.139 0.349 1
1 813 . 12 1 1 A 72 72 LEU HA H 72 5.473 5.389 0.084 1
1 823 . 12 1 1 A 72 72 LEU C C 72 176.172 176.291 -0.119 1
1 824 . 12 1 1 A 72 72 LEU CA C 72 53.507 53.935 -0.428 1
1 825 . 12 1 1 A 72 72 LEU CB C 72 46.393 46.111 0.282 1
1 829 . 12 1 1 A 72 72 LEU N N 72 128.277 126.924 1.353 1
1 830 . 12 1 1 A 73 73 HIS H H 73 9.087 8.232 0.855 1
1 831 . 12 1 1 A 73 73 HIS HA H 73 4.888 4.592 0.296 1
1 836 . 12 1 1 A 73 73 HIS C C 73 175.118 175.802 -0.684 1
1 837 . 12 1 1 A 73 73 HIS CA C 73 56.675 58.278 -1.603 1
1 838 . 12 1 1 A 73 73 HIS CB C 73 32.933 31.329 1.604 1
1 841 . 12 1 1 A 73 73 HIS N N 73 119.084 123.022 -3.938 1
1 842 . 12 1 1 A 74 74 LYS H H 74 9.551 8.019 1.532 1
1 843 . 12 1 1 A 74 74 LYS HA H 74 3.763 4.310 -0.547 1
1 852 . 12 1 1 A 74 74 LYS C C 74 176.851 176.498 0.353 1
1 853 . 12 1 1 A 74 74 LYS CA C 74 56.969 55.167 1.802 1
1 854 . 12 1 1 A 74 74 LYS CB C 74 29.766 32.520 -2.754 1
1 858 . 12 1 1 A 74 74 LYS N N 74 128.764 117.173 11.591 1
1 859 . 12 1 1 A 75 75 GLY H H 75 8.877 8.000 0.877 1
1 860 . 12 1 1 A 75 75 GLY HA2 H 75 3.523 3.944 -0.421 1
1 861 . 12 1 1 A 75 75 GLY HA3 H 75 4.213 3.954 0.259 1
1 862 . 12 1 1 A 75 75 GLY C C 75 173.566 173.991 -0.425 1
1 863 . 12 1 1 A 75 75 GLY CA C 75 45.346 45.299 0.047 1
1 864 . 12 1 1 A 75 75 GLY N N 75 104.552 108.240 -3.688 1
1 865 . 12 1 1 A 76 76 GLU H H 76 7.922 7.922 0.000 1
1 866 . 12 1 1 A 76 76 GLU HA H 76 4.491 4.703 -0.212 1
1 871 . 12 1 1 A 76 76 GLU C C 76 175.651 174.883 0.768 1
1 872 . 12 1 1 A 76 76 GLU CA C 76 54.721 54.792 -0.071 1
1 873 . 12 1 1 A 76 76 GLU CB C 76 31.187 31.745 -0.558 1
1 875 . 12 1 1 A 76 76 GLU N N 76 121.492 120.107 1.385 1
1 876 . 12 1 1 A 77 77 GLU H H 77 8.925 8.774 0.151 1
1 877 . 12 1 1 A 77 77 GLU HA H 77 4.309 4.547 -0.238 1
1 881 . 12 1 1 A 77 77 GLU C C 77 175.857 175.250 0.607 1
1 882 . 12 1 1 A 77 77 GLU CA C 77 57.412 55.825 1.587 1
1 883 . 12 1 1 A 77 77 GLU CB C 77 31.146 30.496 0.650 1
1 885 . 12 1 1 A 77 77 GLU N N 77 125.541 121.851 3.690 1
1 886 . 12 1 1 A 78 78 LEU H H 78 9.475 8.845 0.630 1
1 887 . 12 1 1 A 78 78 LEU HA H 78 4.513 4.384 0.129 1
1 897 . 12 1 1 A 78 78 LEU C C 78 177.541 177.022 0.519 1
1 898 . 12 1 1 A 78 78 LEU CA C 78 55.443 56.119 -0.676 1
1 899 . 12 1 1 A 78 78 LEU CB C 78 43.776 42.525 1.251 1
1 903 . 12 1 1 A 78 78 LEU N N 78 128.715 128.924 -0.209 1
1 904 . 12 1 1 A 79 79 ALA H H 79 7.550 7.684 -0.134 1
1 905 . 12 1 1 A 79 79 ALA HA H 79 4.503 4.641 -0.138 1
1 909 . 12 1 1 A 79 79 ALA C C 79 174.342 175.354 -1.012 1
1 910 . 12 1 1 A 79 79 ALA CA C 79 51.906 51.468 0.438 1
1 911 . 12 1 1 A 79 79 ALA CB C 79 22.017 23.274 -1.257 1
1 912 . 12 1 1 A 79 79 ALA N N 79 116.317 116.863 -0.546 1
1 913 . 12 1 1 A 80 80 LYS H H 80 8.743 8.722 0.021 1
1 914 . 12 1 1 A 80 80 LYS HA H 80 4.725 4.815 -0.090 1
1 923 . 12 1 1 A 80 80 LYS C C 80 172.973 174.653 -1.680 1
1 924 . 12 1 1 A 80 80 LYS CA C 80 56.604 55.511 1.093 1
1 925 . 12 1 1 A 80 80 LYS CB C 80 34.331 35.903 -1.572 1
1 929 . 12 1 1 A 80 80 LYS N N 80 123.623 119.573 4.050 1
1 930 . 12 1 1 A 81 81 LEU H H 81 8.504 8.548 -0.044 1
1 931 . 12 1 1 A 81 81 LEU HA H 81 5.531 5.514 0.017 1
1 941 . 12 1 1 A 81 81 LEU C C 81 176.366 175.238 1.128 1
1 942 . 12 1 1 A 81 81 LEU CA C 81 53.665 52.906 0.759 1
1 943 . 12 1 1 A 81 81 LEU CB C 81 45.969 44.805 1.164 1
1 947 . 12 1 1 A 81 81 LEU N N 81 124.594 127.896 -3.302 1
1 948 . 12 1 1 A 82 82 GLU H H 82 9.018 8.348 0.670 1
1 949 . 12 1 1 A 82 82 GLU HA H 82 4.826 4.475 0.351 1
1 954 . 12 1 1 A 82 82 GLU C C 82 174.439 175.634 -1.195 1
1 955 . 12 1 1 A 82 82 GLU CA C 82 56.376 55.016 1.360 1
1 956 . 12 1 1 A 82 82 GLU CB C 82 32.852 32.757 0.095 1
1 958 . 12 1 1 A 82 82 GLU N N 82 118.819 121.300 -2.481 1
1 959 . 12 1 1 A 83 83 ALA H H 83 8.027 9.176 -1.149 1
1 960 . 12 1 1 A 83 83 ALA HA H 83 4.980 4.580 0.400 1
1 964 . 12 1 1 A 83 83 ALA C C 83 176.439 179.203 -2.764 1
1 965 . 12 1 1 A 83 83 ALA CA C 83 50.059 51.386 -1.327 1
1 966 . 12 1 1 A 83 83 ALA CB C 83 21.702 20.311 1.391 1
1 967 . 12 1 1 A 83 83 ALA N N 83 127.765 129.013 -1.248 1
1 968 . 12 1 1 A 84 84 LYS H H 84 9.017 8.349 0.668 1
1 969 . 12 1 1 A 84 84 LYS HA H 84 4.432 4.508 -0.076 1
1 977 . 12 1 1 A 84 84 LYS C C 84 175.930 176.209 -0.279 1
1 978 . 12 1 1 A 84 84 LYS CA C 84 56.956 57.263 -0.307 1
1 979 . 12 1 1 A 84 84 LYS CB C 84 32.974 33.515 -0.541 1
1 983 . 12 1 1 A 84 84 LYS N N 84 115.456 116.536 -1.080 1
1 984 . 12 1 1 A 85 85 SER H H 85 7.324 7.659 -0.335 1
1 985 . 12 1 1 A 85 85 SER HA H 85 4.074 3.894 0.180 1
1 988 . 12 1 1 A 85 85 SER C C 85 173.421 173.863 -0.442 1
1 989 . 12 1 1 A 85 85 SER CA C 85 56.038 55.711 0.327 1
1 990 . 12 1 1 A 85 85 SER CB C 85 66.506 65.138 1.368 1
1 991 . 12 1 1 A 85 85 SER N N 85 110.261 114.740 -4.479 1
1 992 . 12 1 1 A 86 86 SER H H 86 8.610 8.220 0.390 1
1 993 . 12 1 1 A 86 86 SER HA H 86 3.648 4.139 -0.491 1
1 996 . 12 1 1 A 86 86 SER C C 86 177.784 176.609 1.175 1
1 997 . 12 1 1 A 86 86 SER CA C 86 61.391 61.288 0.103 1
1 998 . 12 1 1 A 86 86 SER CB C 86 62.378 62.864 -0.486 1
1 999 . 12 1 1 A 86 86 SER N N 86 117.136 120.345 -3.209 1
1 1000 . 12 1 1 A 87 87 GLU H H 87 8.890 7.571 1.319 1
1 1001 . 12 1 1 A 87 87 GLU HA H 87 4.031 4.087 -0.056 1
1 1006 . 12 1 1 A 87 87 GLU C C 87 179.492 179.005 0.487 1
1 1007 . 12 1 1 A 87 87 GLU CA C 87 59.983 59.393 0.590 1
1 1008 . 12 1 1 A 87 87 GLU CB C 87 28.969 29.716 -0.747 1
1 1010 . 12 1 1 A 87 87 GLU N N 87 123.189 121.867 1.322 1
1 1011 . 12 1 1 A 88 88 GLU H H 88 8.015 8.181 -0.166 1
1 1012 . 12 1 1 A 88 88 GLU HA H 88 4.243 4.173 0.070 1
1 1017 . 12 1 1 A 88 88 GLU C C 88 178.472 178.616 -0.144 1
1 1018 . 12 1 1 A 88 88 GLU CA C 88 59.642 59.432 0.210 1
1 1019 . 12 1 1 A 88 88 GLU CB C 88 31.016 29.308 1.708 1
1 1021 . 12 1 1 A 88 88 GLU N N 88 121.015 120.641 0.374 1
1 1022 . 12 1 1 A 89 89 MET H H 89 8.334 8.517 -0.183 1
1 1023 . 12 1 1 A 89 89 MET HA H 89 3.843 4.301 -0.458 1
1 1030 . 12 1 1 A 89 89 MET C C 89 177.396 178.612 -1.216 1
1 1031 . 12 1 1 A 89 89 MET CA C 89 60.458 58.077 2.381 1
1 1032 . 12 1 1 A 89 89 MET CB C 89 32.481 32.542 -0.061 1
1 1035 . 12 1 1 A 89 89 MET N N 89 119.764 118.929 0.835 1
1 1036 . 12 1 1 A 90 90 GLY H H 90 8.452 8.267 0.185 1
1 1037 . 12 1 1 A 90 90 GLY HA2 H 90 4.008 3.690 0.318 1
1 1038 . 12 1 1 A 90 90 GLY HA3 H 90 3.723 3.713 0.010 1
1 1039 . 12 1 1 A 90 90 GLY C C 90 176.814 175.684 1.130 1
1 1040 . 12 1 1 A 90 90 GLY CA C 90 47.489 46.976 0.513 1
1 1041 . 12 1 1 A 90 90 GLY N N 90 105.180 108.574 -3.394 1
1 1042 . 12 1 1 A 91 91 HIS H H 91 7.919 8.029 -0.110 1
1 1043 . 12 1 1 A 91 91 HIS HA H 91 4.329 4.175 0.154 1
1 1048 . 12 1 1 A 91 91 HIS C C 91 178.208 177.193 1.015 1
1 1049 . 12 1 1 A 91 91 HIS CA C 91 59.367 58.869 0.498 1
1 1050 . 12 1 1 A 91 91 HIS CB C 91 30.612 29.848 0.764 1
1 1053 . 12 1 1 A 91 91 HIS N N 91 121.929 121.228 0.701 1
1 1054 . 12 1 1 A 92 92 TRP H H 92 8.199 7.524 0.675 1
1 1055 . 12 1 1 A 92 92 TRP HA H 92 3.829 4.161 -0.332 1
1 1064 . 12 1 1 A 92 92 TRP C C 92 178.257 178.386 -0.129 1
1 1065 . 12 1 1 A 92 92 TRP CA C 92 62.464 59.686 2.778 1
1 1066 . 12 1 1 A 92 92 TRP CB C 92 29.190 30.019 -0.829 1
1 1072 . 12 1 1 A 92 92 TRP N N 92 120.070 117.964 2.106 1
1 1074 . 12 1 1 A 93 93 LEU H H 93 8.740 8.220 0.520 1
1 1075 . 12 1 1 A 93 93 LEU HA H 93 3.695 3.661 0.034 1
1 1085 . 12 1 1 A 93 93 LEU C C 93 179.105 179.174 -0.069 1
1 1086 . 12 1 1 A 93 93 LEU CA C 93 59.076 58.196 0.880 1
1 1087 . 12 1 1 A 93 93 LEU CB C 93 40.993 41.589 -0.596 1
1 1091 . 12 1 1 A 93 93 LEU N N 93 119.445 120.146 -0.701 1
1 1092 . 12 1 1 A 94 94 GLY H H 94 7.616 8.072 -0.456 1
1 1093 . 12 1 1 A 94 94 GLY HA2 H 94 3.852 3.624 0.228 1
1 1094 . 12 1 1 A 94 94 GLY HA3 H 94 3.759 3.640 0.119 1
1 1095 . 12 1 1 A 94 94 GLY C C 94 176.693 175.500 1.193 1
1 1096 . 12 1 1 A 94 94 GLY CA C 94 47.120 47.233 -0.113 1
1 1097 . 12 1 1 A 94 94 GLY N N 94 102.951 105.512 -2.561 1
1 1098 . 12 1 1 A 95 95 LEU H H 95 7.853 7.999 -0.146 1
1 1099 . 12 1 1 A 95 95 LEU HA H 95 4.024 3.916 0.108 1
1 1109 . 12 1 1 A 95 95 LEU C C 95 179.589 178.701 0.888 1
1 1110 . 12 1 1 A 95 95 LEU CA C 95 57.678 57.248 0.430 1
1 1111 . 12 1 1 A 95 95 LEU CB C 95 42.533 41.055 1.478 1
1 1115 . 12 1 1 A 95 95 LEU N N 95 123.479 122.666 0.813 1
1 1116 . 12 1 1 A 96 96 LEU H H 96 8.649 8.410 0.239 1
1 1117 . 12 1 1 A 96 96 LEU HA H 96 3.971 4.096 -0.125 1
1 1127 . 12 1 1 A 96 96 LEU C C 96 179.068 179.155 -0.087 1
1 1128 . 12 1 1 A 96 96 LEU CA C 96 57.906 57.737 0.169 1
1 1129 . 12 1 1 A 96 96 LEU CB C 96 42.104 41.904 0.200 1
1 1133 . 12 1 1 A 96 96 LEU N N 96 118.046 118.177 -0.131 1
1 1134 . 12 1 1 A 97 97 LEU H H 97 8.198 8.398 -0.200 1
1 1135 . 12 1 1 A 97 97 LEU HA H 97 4.234 4.160 0.074 1
1 1145 . 12 1 1 A 97 97 LEU C C 97 180.177 178.733 1.444 1
1 1146 . 12 1 1 A 97 97 LEU CA C 97 57.361 58.099 -0.738 1
1 1147 . 12 1 1 A 97 97 LEU CB C 97 41.611 41.538 0.073 1
1 1151 . 12 1 1 A 97 97 LEU N N 97 118.670 118.889 -0.219 1
1 1152 . 12 1 1 A 98 98 SER H H 98 7.818 8.036 -0.218 1
1 1153 . 12 1 1 A 98 98 SER HA H 98 4.328 4.058 0.270 1
1 1156 . 12 1 1 A 98 98 SER C C 98 176.863 176.533 0.330 1
1 1157 . 12 1 1 A 98 98 SER CA C 98 61.004 62.479 -1.475 1
1 1158 . 12 1 1 A 98 98 SER CB C 98 63.322 63.356 -0.034 1
1 1159 . 12 1 1 A 98 98 SER N N 98 115.679 113.771 1.908 1
1 1160 . 12 1 1 A 99 99 GLU H H 99 8.003 7.836 0.167 1
1 1161 . 12 1 1 A 99 99 GLU HA H 99 4.193 4.204 -0.011 1
1 1166 . 12 1 1 A 99 99 GLU C C 99 177.226 176.832 0.394 1
1 1167 . 12 1 1 A 99 99 GLU CA C 99 57.449 58.891 -1.442 1
1 1168 . 12 1 1 A 99 99 GLU CB C 99 30.260 29.818 0.442 1
1 1170 . 12 1 1 A 99 99 GLU N N 99 120.518 120.506 0.012 1
1 1171 . 12 1 1 A 100 100 SER H H 100 7.892 8.115 -0.223 1
1 1172 . 12 1 1 A 100 100 SER HA H 100 4.582 4.453 0.129 1
1 1175 . 12 1 1 A 100 100 SER C C 100 175.881 175.144 0.737 1
1 1176 . 12 1 1 A 100 100 SER CA C 100 59.561 59.716 -0.155 1
1 1177 . 12 1 1 A 100 100 SER CB C 100 64.188 62.797 1.391 1
1 1178 . 12 1 1 A 100 100 SER N N 100 113.686 110.984 2.702 1
1 1179 . 12 1 1 A 101 101 GLY H H 101 7.861 8.623 -0.762 1
1 1180 . 12 1 1 A 101 101 GLY HA2 H 101 4.114 4.155 -0.041 1
1 1181 . 12 1 1 A 101 101 GLY HA3 H 101 4.063 4.156 -0.093 1
1 1182 . 12 1 1 A 101 101 GLY C C 101 174.076 174.517 -0.441 1
1 1183 . 12 1 1 A 101 101 GLY CA C 101 45.501 44.772 0.729 1
1 1184 . 12 1 1 A 101 101 GLY N N 101 109.148 113.824 -4.676 1
1 1185 . 12 1 1 A 102 102 SER H H 102 8.260 8.726 -0.466 1
1 1186 . 12 1 1 A 102 102 SER HA H 102 4.543 4.597 -0.054 1
1 1189 . 12 1 1 A 102 102 SER C C 102 174.851 174.174 0.677 1
1 1190 . 12 1 1 A 102 102 SER CA C 102 58.646 57.546 1.100 1
1 1191 . 12 1 1 A 102 102 SER CB C 102 64.211 62.568 1.643 1
1 1192 . 12 1 1 A 102 102 SER N N 102 116.298 117.555 -1.257 1
1 1193 . 12 1 1 A 103 103 GLY H H 103 8.252 7.946 0.306 1
1 1194 . 12 1 1 A 103 103 GLY HA2 H 103 4.173 4.365 -0.192 1
1 1195 . 12 1 1 A 103 103 GLY HA3 H 103 4.074 4.367 -0.293 1
1 1196 . 12 1 1 A 103 103 GLY C C 103 171.773 173.370 -1.597 1
1 1197 . 12 1 1 A 103 103 GLY CA C 103 44.777 45.197 -0.420 1
1 1198 . 12 1 1 A 103 103 GLY N N 103 110.162 109.736 0.426 1
1 1199 . 12 1 1 A 104 104 PRO HA H 104 4.515 4.529 -0.014 1
1 1206 . 12 1 1 A 104 104 PRO CA C 104 63.224 63.632 -0.408 1
1 1207 . 12 1 1 A 104 104 PRO CB C 104 32.174 32.072 0.102 1
1 1210 . 12 1 1 A 105 105 SER H H 105 8.559 8.057 0.502 1
1 1211 . 12 1 1 A 105 105 SER CA C 105 60.998 58.629 2.369 1
1 1212 . 12 1 1 A 105 105 SER CB C 105 63.768 63.350 0.418 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.952 4.173 -0.221 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.952 4.175 -0.223 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.197 172.388 1.809 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.378 45.832 -0.454 1
1 5 . 13 1 1 A 8 8 LEU H H 8 8.030 8.563 -0.533 1
1 6 . 13 1 1 A 8 8 LEU HA H 8 4.321 4.742 -0.421 1
1 16 . 13 1 1 A 8 8 LEU C C 8 177.468 174.205 3.263 1
1 17 . 13 1 1 A 8 8 LEU CA C 8 55.320 54.486 0.834 1
1 18 . 13 1 1 A 8 8 LEU CB C 8 42.556 44.495 -1.939 1
1 22 . 13 1 1 A 8 8 LEU N N 8 121.494 123.778 -2.284 1
1 23 . 13 1 1 A 9 9 GLU H H 9 8.577 8.648 -0.071 1
1 24 . 13 1 1 A 9 9 GLU HA H 9 4.454 4.199 0.255 1
1 29 . 13 1 1 A 9 9 GLU C C 9 177.056 177.739 -0.683 1
1 30 . 13 1 1 A 9 9 GLU CA C 9 56.956 56.539 0.417 1
1 31 . 13 1 1 A 9 9 GLU CB C 9 30.237 31.811 -1.574 1
1 33 . 13 1 1 A 9 9 GLU N N 9 121.449 126.799 -5.350 1
1 34 . 13 1 1 A 10 10 THR H H 10 8.189 8.756 -0.567 1
1 35 . 13 1 1 A 10 10 THR HA H 10 4.323 3.896 0.427 1
1 40 . 13 1 1 A 10 10 THR CA C 10 62.062 65.857 -3.795 1
1 41 . 13 1 1 A 10 10 THR CB C 10 69.441 68.389 1.052 1
1 43 . 13 1 1 A 10 10 THR N N 10 113.730 119.475 -5.745 1
1 44 . 13 1 1 A 11 11 SER H H 11 7.883 7.717 0.166 1
1 45 . 13 1 1 A 11 11 SER HA H 11 5.249 4.571 0.678 1
1 48 . 13 1 1 A 11 11 SER CA C 11 57.852 59.475 -1.623 1
1 49 . 13 1 1 A 11 11 SER CB C 11 65.426 63.619 1.807 1
1 50 . 13 1 1 A 12 12 SER H H 12 8.413 8.659 -0.246 1
1 51 . 13 1 1 A 12 12 SER HA H 12 4.467 4.828 -0.361 1
1 54 . 13 1 1 A 12 12 SER CA C 12 58.741 57.558 1.183 1
1 55 . 13 1 1 A 12 12 SER CB C 12 65.239 67.356 -2.117 1
1 56 . 13 1 1 A 12 12 SER N N 12 116.995 118.743 -1.748 1
1 57 . 13 1 1 A 13 13 TYR H H 13 8.156 8.713 -0.557 1
1 58 . 13 1 1 A 13 13 TYR HA H 13 4.936 4.514 0.422 1
1 65 . 13 1 1 A 13 13 TYR CA C 13 58.533 56.866 1.667 1
1 68 . 13 1 1 A 13 13 TYR N N 13 121.972 125.196 -3.224 1
1 69 . 13 1 1 A 14 14 LEU H H 14 8.803 8.477 0.326 1
1 70 . 13 1 1 A 14 14 LEU HA H 14 4.573 4.953 -0.380 1
1 80 . 13 1 1 A 14 14 LEU C C 14 175.845 175.449 0.396 1
1 81 . 13 1 1 A 14 14 LEU CA C 14 54.141 53.511 0.630 1
1 82 . 13 1 1 A 14 14 LEU CB C 14 46.603 45.346 1.257 1
1 86 . 13 1 1 A 14 14 LEU N N 14 123.967 128.881 -4.914 1
1 87 . 13 1 1 A 15 15 ASN H H 15 8.090 8.495 -0.405 1
1 88 . 13 1 1 A 15 15 ASN HA H 15 5.669 5.310 0.359 1
1 93 . 13 1 1 A 15 15 ASN C C 15 174.972 174.248 0.724 1
1 94 . 13 1 1 A 15 15 ASN CA C 15 51.589 52.596 -1.007 1
1 95 . 13 1 1 A 15 15 ASN CB C 15 40.317 39.424 0.893 1
1 96 . 13 1 1 A 15 15 ASN N N 15 117.248 119.396 -2.148 1
1 98 . 13 1 1 A 16 16 VAL H H 16 9.452 8.333 1.119 1
1 99 . 13 1 1 A 16 16 VAL HA H 16 4.743 4.505 0.238 1
1 107 . 13 1 1 A 16 16 VAL C C 16 174.269 176.181 -1.912 1
1 108 . 13 1 1 A 16 16 VAL CA C 16 60.574 62.109 -1.535 1
1 109 . 13 1 1 A 16 16 VAL CB C 16 35.194 32.453 2.741 1
1 112 . 13 1 1 A 16 16 VAL N N 16 122.909 125.785 -2.876 1
1 113 . 13 1 1 A 17 17 LEU H H 17 7.892 8.986 -1.094 1
1 114 . 13 1 1 A 17 17 LEU HA H 17 3.679 3.879 -0.200 1
1 124 . 13 1 1 A 17 17 LEU C C 17 175.747 175.267 0.480 1
1 125 . 13 1 1 A 17 17 LEU CA C 17 54.493 56.204 -1.711 1
1 126 . 13 1 1 A 17 17 LEU CB C 17 40.541 41.963 -1.422 1
1 130 . 13 1 1 A 17 17 LEU N N 17 130.093 130.610 -0.517 1
1 131 . 13 1 1 A 18 18 VAL H H 18 8.923 8.924 -0.001 1
1 132 . 13 1 1 A 18 18 VAL HA H 18 4.053 4.332 -0.279 1
1 140 . 13 1 1 A 18 18 VAL C C 18 175.869 175.819 0.050 1
1 141 . 13 1 1 A 18 18 VAL CA C 18 61.285 61.292 -0.007 1
1 142 . 13 1 1 A 18 18 VAL CB C 18 33.609 33.969 -0.360 1
1 145 . 13 1 1 A 18 18 VAL N N 18 130.417 127.321 3.096 1
1 146 . 13 1 1 A 19 19 ASN H H 19 9.323 9.404 -0.081 1
1 147 . 13 1 1 A 19 19 ASN HA H 19 4.232 4.328 -0.096 1
1 152 . 13 1 1 A 19 19 ASN C C 19 174.948 174.454 0.494 1
1 153 . 13 1 1 A 19 19 ASN CA C 19 54.809 54.601 0.208 1
1 154 . 13 1 1 A 19 19 ASN CB C 19 37.192 36.748 0.444 1
1 155 . 13 1 1 A 19 19 ASN N N 19 127.579 127.080 0.499 1
1 157 . 13 1 1 A 20 20 SER H H 20 8.464 8.421 0.043 1
1 158 . 13 1 1 A 20 20 SER HA H 20 3.653 3.885 -0.232 1
1 161 . 13 1 1 A 20 20 SER C C 20 172.645 172.835 -0.190 1
1 162 . 13 1 1 A 20 20 SER CA C 20 60.458 59.637 0.821 1
1 163 . 13 1 1 A 20 20 SER CB C 20 62.584 61.314 1.270 1
1 164 . 13 1 1 A 20 20 SER N N 20 106.869 105.690 1.179 1
1 165 . 13 1 1 A 21 21 GLN H H 21 7.695 7.329 0.366 1
1 166 . 13 1 1 A 21 21 GLN HA H 21 4.591 4.671 -0.080 1
1 173 . 13 1 1 A 21 21 GLN C C 21 174.003 174.596 -0.593 1
1 174 . 13 1 1 A 21 21 GLN CA C 21 53.772 54.322 -0.550 1
1 175 . 13 1 1 A 21 21 GLN CB C 21 32.069 32.014 0.055 1
1 177 . 13 1 1 A 21 21 GLN N N 21 120.372 118.152 2.220 1
1 179 . 13 1 1 A 22 22 TRP H H 22 8.743 8.697 0.046 1
1 180 . 13 1 1 A 22 22 TRP HA H 22 4.690 4.819 -0.129 1
1 189 . 13 1 1 A 22 22 TRP C C 22 176.863 176.346 0.517 1
1 190 . 13 1 1 A 22 22 TRP CA C 22 57.062 57.801 -0.739 1
1 191 . 13 1 1 A 22 22 TRP CB C 22 29.323 29.238 0.085 1
1 197 . 13 1 1 A 22 22 TRP N N 22 124.919 124.030 0.889 1
1 199 . 13 1 1 A 23 23 LYS H H 23 9.302 8.572 0.730 1
1 200 . 13 1 1 A 23 23 LYS HA H 23 4.798 4.798 0.000 1
1 208 . 13 1 1 A 23 23 LYS C C 23 176.050 176.481 -0.431 1
1 209 . 13 1 1 A 23 23 LYS CA C 23 54.106 54.576 -0.470 1
1 210 . 13 1 1 A 23 23 LYS CB C 23 35.583 35.196 0.387 1
1 214 . 13 1 1 A 23 23 LYS N N 23 124.474 125.510 -1.036 1
1 215 . 13 1 1 A 24 24 SER H H 24 8.740 8.668 0.072 1
1 216 . 13 1 1 A 24 24 SER HA H 24 5.035 4.964 0.071 1
1 219 . 13 1 1 A 24 24 SER C C 24 175.905 174.693 1.212 1
1 220 . 13 1 1 A 24 24 SER CA C 24 58.857 60.495 -1.638 1
1 221 . 13 1 1 A 24 24 SER CB C 24 63.489 63.677 -0.188 1
1 222 . 13 1 1 A 24 24 SER N N 24 118.568 119.593 -1.025 1
1 223 . 13 1 1 A 25 25 ARG H H 25 9.302 8.603 0.699 1
1 224 . 13 1 1 A 25 25 ARG HA H 25 4.946 4.824 0.122 1
1 231 . 13 1 1 A 25 25 ARG C C 25 173.724 174.372 -0.648 1
1 232 . 13 1 1 A 25 25 ARG CA C 25 54.440 54.996 -0.556 1
1 233 . 13 1 1 A 25 25 ARG CB C 25 34.825 34.483 0.342 1
1 236 . 13 1 1 A 25 25 ARG N N 25 126.895 125.141 1.754 1
1 237 . 13 1 1 A 26 26 TRP H H 26 8.668 8.404 0.264 1
1 238 . 13 1 1 A 26 26 TRP HA H 26 4.780 4.525 0.255 1
1 247 . 13 1 1 A 26 26 TRP C C 26 175.796 175.069 0.727 1
1 248 . 13 1 1 A 26 26 TRP CA C 26 57.555 57.771 -0.216 1
1 249 . 13 1 1 A 26 26 TRP CB C 26 29.833 30.546 -0.713 1
1 255 . 13 1 1 A 26 26 TRP N N 26 123.493 127.221 -3.728 1
1 257 . 13 1 1 A 27 27 CYS H H 27 8.884 8.281 0.603 1
1 258 . 13 1 1 A 27 27 CYS HA H 27 5.668 5.169 0.499 1
1 261 . 13 1 1 A 27 27 CYS C C 27 174.560 173.428 1.132 1
1 262 . 13 1 1 A 27 27 CYS CA C 27 58.184 57.645 0.539 1
1 263 . 13 1 1 A 27 27 CYS CB C 27 31.516 30.736 0.780 1
1 264 . 13 1 1 A 27 27 CYS N N 27 124.947 126.107 -1.160 1
1 265 . 13 1 1 A 28 28 SER H H 28 8.566 8.581 -0.015 1
1 266 . 13 1 1 A 28 28 SER HA H 28 5.240 5.509 -0.269 1
1 269 . 13 1 1 A 28 28 SER C C 28 173.106 173.160 -0.054 1
1 270 . 13 1 1 A 28 28 SER CA C 28 57.027 56.959 0.068 1
1 271 . 13 1 1 A 28 28 SER CB C 28 66.738 65.485 1.253 1
1 272 . 13 1 1 A 28 28 SER N N 28 114.751 119.999 -5.248 1
1 273 . 13 1 1 A 29 29 VAL H H 29 8.843 9.112 -0.269 1
1 274 . 13 1 1 A 29 29 VAL HA H 29 5.302 5.309 -0.007 1
1 282 . 13 1 1 A 29 29 VAL C C 29 175.905 174.888 1.017 1
1 283 . 13 1 1 A 29 29 VAL CA C 29 61.233 61.561 -0.328 1
1 284 . 13 1 1 A 29 29 VAL CB C 29 32.832 33.040 -0.208 1
1 287 . 13 1 1 A 29 29 VAL N N 29 125.688 128.261 -2.573 1
1 288 . 13 1 1 A 30 30 ARG H H 30 8.964 9.307 -0.343 1
1 289 . 13 1 1 A 30 30 ARG HA H 30 4.620 4.596 0.024 1
1 295 . 13 1 1 A 30 30 ARG C C 30 176.160 175.377 0.783 1
1 296 . 13 1 1 A 30 30 ARG CA C 30 55.901 56.039 -0.138 1
1 297 . 13 1 1 A 30 30 ARG CB C 30 33.198 33.060 0.138 1
1 300 . 13 1 1 A 30 30 ARG N N 30 125.513 125.815 -0.302 1
1 301 . 13 1 1 A 31 31 ASP H H 31 9.773 9.770 0.003 1
1 302 . 13 1 1 A 31 31 ASP HA H 31 4.451 4.342 0.109 1
1 305 . 13 1 1 A 31 31 ASP C C 31 177.008 175.240 1.768 1
1 306 . 13 1 1 A 31 31 ASP CA C 31 55.936 55.259 0.677 1
1 307 . 13 1 1 A 31 31 ASP CB C 31 39.659 39.607 0.052 1
1 308 . 13 1 1 A 31 31 ASP N N 31 127.085 126.388 0.697 1
1 309 . 13 1 1 A 32 32 ASN H H 32 9.639 8.668 0.971 1
1 310 . 13 1 1 A 32 32 ASN HA H 32 4.535 4.319 0.216 1
1 315 . 13 1 1 A 32 32 ASN C C 32 172.766 173.771 -1.005 1
1 316 . 13 1 1 A 32 32 ASN CA C 32 55.549 54.534 1.015 1
1 317 . 13 1 1 A 32 32 ASN CB C 32 38.238 36.815 1.423 1
1 318 . 13 1 1 A 32 32 ASN N N 32 112.101 109.265 2.836 1
1 320 . 13 1 1 A 33 33 HIS H H 33 8.292 7.796 0.496 1
1 321 . 13 1 1 A 33 33 HIS HA H 33 5.368 5.551 -0.183 1
1 326 . 13 1 1 A 33 33 HIS C C 33 172.718 173.453 -0.735 1
1 327 . 13 1 1 A 33 33 HIS CA C 33 55.303 54.774 0.529 1
1 328 . 13 1 1 A 33 33 HIS CB C 33 32.851 34.096 -1.245 1
1 331 . 13 1 1 A 33 33 HIS N N 33 116.294 116.121 0.173 1
1 332 . 13 1 1 A 34 34 LEU H H 34 8.987 8.966 0.021 1
1 333 . 13 1 1 A 34 34 LEU HA H 34 4.784 4.984 -0.200 1
1 342 . 13 1 1 A 34 34 LEU C C 34 173.240 175.264 -2.024 1
1 343 . 13 1 1 A 34 34 LEU CA C 34 53.719 53.511 0.208 1
1 344 . 13 1 1 A 34 34 LEU CB C 34 45.147 43.664 1.483 1
1 348 . 13 1 1 A 34 34 LEU N N 34 122.961 125.683 -2.722 1
1 349 . 13 1 1 A 35 35 HIS H H 35 9.169 9.857 -0.688 1
1 350 . 13 1 1 A 35 35 HIS HA H 35 4.713 5.179 -0.466 1
1 355 . 13 1 1 A 35 35 HIS C C 35 174.778 174.276 0.502 1
1 356 . 13 1 1 A 35 35 HIS CA C 35 55.284 55.287 -0.003 1
1 357 . 13 1 1 A 35 35 HIS CB C 35 34.455 32.328 2.127 1
1 360 . 13 1 1 A 35 35 HIS N N 35 125.201 126.196 -0.995 1
1 361 . 13 1 1 A 36 36 PHE H H 36 9.522 8.752 0.770 1
1 362 . 13 1 1 A 36 36 PHE HA H 36 5.014 5.254 -0.240 1
1 370 . 13 1 1 A 36 36 PHE C C 36 174.911 173.889 1.022 1
1 371 . 13 1 1 A 36 36 PHE CA C 36 56.217 56.353 -0.136 1
1 372 . 13 1 1 A 36 36 PHE CB C 36 43.666 42.812 0.854 1
1 378 . 13 1 1 A 36 36 PHE N N 36 118.294 117.661 0.633 1
1 379 . 13 1 1 A 37 37 TYR H H 37 9.783 8.638 1.145 1
1 380 . 13 1 1 A 37 37 TYR HA H 37 5.453 5.003 0.450 1
1 387 . 13 1 1 A 37 37 TYR C C 37 176.475 175.178 1.297 1
1 388 . 13 1 1 A 37 37 TYR CA C 37 57.185 56.578 0.607 1
1 389 . 13 1 1 A 37 37 TYR CB C 37 41.569 43.478 -1.909 1
1 394 . 13 1 1 A 37 37 TYR N N 37 121.241 120.438 0.803 1
1 395 . 13 1 1 A 38 38 GLN H H 38 9.233 8.377 0.856 1
1 396 . 13 1 1 A 38 38 GLN HA H 38 4.480 4.752 -0.272 1
1 403 . 13 1 1 A 38 38 GLN C C 38 175.408 175.105 0.303 1
1 404 . 13 1 1 A 38 38 GLN CA C 38 57.977 55.200 2.777 1
1 405 . 13 1 1 A 38 38 GLN CB C 38 29.825 28.876 0.949 1
1 407 . 13 1 1 A 38 38 GLN N N 38 119.348 120.523 -1.175 1
1 409 . 13 1 1 A 39 39 ASP H H 39 8.674 8.275 0.399 1
1 410 . 13 1 1 A 39 39 ASP HA H 39 4.849 4.356 0.493 1
1 413 . 13 1 1 A 39 39 ASP CA C 39 52.402 55.300 -2.898 1
1 414 . 13 1 1 A 39 39 ASP CB C 39 43.525 39.996 3.529 1
1 415 . 13 1 1 A 40 40 ARG H H 40 7.823 8.353 -0.530 1
1 416 . 13 1 1 A 40 40 ARG HA H 40 2.342 4.495 -2.153 1
1 423 . 13 1 1 A 40 40 ARG CA C 40 57.183 54.901 2.282 1
1 424 . 13 1 1 A 40 40 ARG CB C 40 29.300 30.241 -0.941 1
1 427 . 13 1 1 A 40 40 ARG N N 40 119.412 117.700 1.712 1
1 428 . 13 1 1 A 41 41 ASN H H 41 7.601 8.038 -0.437 1
1 429 . 13 1 1 A 41 41 ASN HA H 41 4.408 3.995 0.413 1
1 434 . 13 1 1 A 41 41 ASN C C 41 174.584 174.061 0.523 1
1 435 . 13 1 1 A 41 41 ASN CA C 41 53.396 54.355 -0.959 1
1 436 . 13 1 1 A 41 41 ASN CB C 41 37.847 36.572 1.275 1
1 437 . 13 1 1 A 41 41 ASN N N 41 114.895 114.601 0.294 1
1 439 . 13 1 1 A 42 42 ARG H H 42 7.927 7.772 0.155 1
1 440 . 13 1 1 A 42 42 ARG HA H 42 3.271 2.766 0.505 1
1 446 . 13 1 1 A 42 42 ARG CA C 42 57.164 56.311 0.853 1
1 449 . 13 1 1 A 42 42 ARG N N 42 115.263 110.278 4.985 1
1 450 . 13 1 1 A 43 43 SER H H 43 9.112 7.837 1.275 1
1 451 . 13 1 1 A 43 43 SER HA H 43 4.444 4.530 -0.086 1
1 454 . 13 1 1 A 43 43 SER CA C 43 59.742 59.384 0.358 1
1 455 . 13 1 1 A 43 43 SER CB C 43 64.693 65.713 -1.020 1
1 456 . 13 1 1 A 43 43 SER N N 43 115.094 112.065 3.029 1
1 457 . 13 1 1 A 44 44 LYS H H 44 8.543 7.691 0.852 1
1 458 . 13 1 1 A 44 44 LYS HA H 44 4.784 4.477 0.307 1
1 464 . 13 1 1 A 44 44 LYS C C 44 175.723 175.299 0.424 1
1 465 . 13 1 1 A 44 44 LYS CA C 44 55.091 54.885 0.206 1
1 466 . 13 1 1 A 44 44 LYS CB C 44 34.642 32.482 2.160 1
1 470 . 13 1 1 A 45 45 VAL H H 45 8.965 8.588 0.377 1
1 471 . 13 1 1 A 45 45 VAL HA H 45 4.043 4.294 -0.251 1
1 479 . 13 1 1 A 45 45 VAL C C 45 176.656 176.262 0.394 1
1 480 . 13 1 1 A 45 45 VAL CA C 45 63.883 62.919 0.964 1
1 481 . 13 1 1 A 45 45 VAL CB C 45 32.621 32.457 0.164 1
1 484 . 13 1 1 A 45 45 VAL N N 45 127.663 127.275 0.388 1
1 485 . 13 1 1 A 46 46 ALA H H 46 9.214 8.638 0.576 1
1 486 . 13 1 1 A 46 46 ALA HA H 46 4.523 4.538 -0.015 1
1 490 . 13 1 1 A 46 46 ALA C C 46 176.560 177.468 -0.908 1
1 491 . 13 1 1 A 46 46 ALA CA C 46 52.610 53.400 -0.790 1
1 492 . 13 1 1 A 46 46 ALA CB C 46 20.929 20.451 0.478 1
1 493 . 13 1 1 A 46 46 ALA N N 46 129.165 128.689 0.476 1
1 494 . 13 1 1 A 47 47 GLN H H 47 7.504 7.605 -0.101 1
1 495 . 13 1 1 A 47 47 GLN HA H 47 4.494 4.711 -0.217 1
1 502 . 13 1 1 A 47 47 GLN C C 47 173.057 174.801 -1.744 1
1 503 . 13 1 1 A 47 47 GLN CA C 47 54.458 54.144 0.314 1
1 504 . 13 1 1 A 47 47 GLN CB C 47 30.918 33.427 -2.509 1
1 506 . 13 1 1 A 47 47 GLN N N 47 112.591 115.362 -2.771 1
1 508 . 13 1 1 A 48 48 GLN H H 48 8.541 8.211 0.330 1
1 509 . 13 1 1 A 48 48 GLN HA H 48 4.420 4.455 -0.035 1
1 516 . 13 1 1 A 48 48 GLN C C 48 172.864 173.967 -1.103 1
1 517 . 13 1 1 A 48 48 GLN CA C 48 54.774 54.439 0.335 1
1 518 . 13 1 1 A 48 48 GLN CB C 48 28.017 27.633 0.384 1
1 520 . 13 1 1 A 48 48 GLN N N 48 120.933 120.868 0.065 1
1 522 . 13 1 1 A 49 49 PRO HA H 49 4.963 4.464 0.499 1
1 529 . 13 1 1 A 49 49 PRO C C 49 177.105 175.478 1.627 1
1 530 . 13 1 1 A 49 49 PRO CA C 49 63.010 62.364 0.646 1
1 531 . 13 1 1 A 49 49 PRO CB C 49 32.625 31.987 0.638 1
1 534 . 13 1 1 A 50 50 LEU H H 50 8.937 8.794 0.143 1
1 535 . 13 1 1 A 50 50 LEU HA H 50 4.742 4.995 -0.253 1
1 545 . 13 1 1 A 50 50 LEU C C 50 176.147 175.461 0.686 1
1 546 . 13 1 1 A 50 50 LEU CA C 50 53.120 53.380 -0.260 1
1 547 . 13 1 1 A 50 50 LEU CB C 50 45.352 44.834 0.518 1
1 551 . 13 1 1 A 50 50 LEU N N 50 121.454 122.072 -0.618 1
1 552 . 13 1 1 A 51 51 SER H H 51 8.771 8.892 -0.121 1
1 553 . 13 1 1 A 51 51 SER HA H 51 3.434 4.119 -0.685 1
1 556 . 13 1 1 A 51 51 SER C C 51 175.081 174.440 0.641 1
1 557 . 13 1 1 A 51 51 SER CA C 51 57.936 57.222 0.714 1
1 558 . 13 1 1 A 51 51 SER CB C 51 62.378 62.302 0.076 1
1 559 . 13 1 1 A 51 51 SER N N 51 120.178 118.469 1.709 1
1 560 . 13 1 1 A 52 52 LEU H H 52 8.045 7.529 0.516 1
1 561 . 13 1 1 A 52 52 LEU HA H 52 4.443 3.917 0.526 1
1 571 . 13 1 1 A 52 52 LEU C C 52 177.916 177.862 0.054 1
1 572 . 13 1 1 A 52 52 LEU CA C 52 55.105 57.944 -2.839 1
1 573 . 13 1 1 A 52 52 LEU CB C 52 42.762 41.350 1.412 1
1 577 . 13 1 1 A 52 52 LEU N N 52 125.348 128.075 -2.727 1
1 578 . 13 1 1 A 53 53 VAL H H 53 7.418 7.454 -0.036 1
1 579 . 13 1 1 A 53 53 VAL HA H 53 3.841 3.800 0.041 1
1 587 . 13 1 1 A 53 53 VAL C C 53 178.123 177.185 0.938 1
1 588 . 13 1 1 A 53 53 VAL CA C 53 64.893 64.969 -0.076 1
1 589 . 13 1 1 A 53 53 VAL CB C 53 30.973 31.109 -0.136 1
1 592 . 13 1 1 A 53 53 VAL N N 53 119.590 118.537 1.053 1
1 593 . 13 1 1 A 54 54 GLY H H 54 9.187 8.883 0.304 1
1 594 . 13 1 1 A 54 54 GLY HA2 H 54 4.292 3.984 0.308 1
1 595 . 13 1 1 A 54 54 GLY HA3 H 54 3.934 4.040 -0.106 1
1 596 . 13 1 1 A 54 54 GLY C C 54 175.275 174.797 0.478 1
1 597 . 13 1 1 A 54 54 GLY CA C 54 45.906 44.952 0.954 1
1 598 . 13 1 1 A 54 54 GLY N N 54 115.764 114.876 0.888 1
1 599 . 13 1 1 A 55 55 CYS H H 55 7.871 8.411 -0.540 1
1 600 . 13 1 1 A 55 55 CYS HA H 55 5.052 4.558 0.494 1
1 603 . 13 1 1 A 55 55 CYS C C 55 174.112 173.385 0.727 1
1 604 . 13 1 1 A 55 55 CYS CA C 55 60.352 59.513 0.839 1
1 605 . 13 1 1 A 55 55 CYS CB C 55 28.779 29.268 -0.489 1
1 606 . 13 1 1 A 55 55 CYS N N 55 117.748 120.392 -2.644 1
1 607 . 13 1 1 A 56 56 GLU H H 56 9.140 8.874 0.266 1
1 608 . 13 1 1 A 56 56 GLU HA H 56 4.672 4.868 -0.196 1
1 612 . 13 1 1 A 56 56 GLU C C 56 175.105 174.681 0.424 1
1 613 . 13 1 1 A 56 56 GLU CA C 56 55.179 55.101 0.078 1
1 614 . 13 1 1 A 56 56 GLU CB C 56 33.097 33.687 -0.590 1
1 616 . 13 1 1 A 56 56 GLU N N 56 120.179 123.106 -2.927 1
1 617 . 13 1 1 A 57 57 VAL H H 57 8.385 8.850 -0.465 1
1 618 . 13 1 1 A 57 57 VAL HA H 57 5.238 4.581 0.657 1
1 626 . 13 1 1 A 57 57 VAL C C 57 175.238 175.820 -0.582 1
1 627 . 13 1 1 A 57 57 VAL CA C 57 61.064 62.288 -1.224 1
1 628 . 13 1 1 A 57 57 VAL CB C 57 33.429 31.860 1.569 1
1 631 . 13 1 1 A 57 57 VAL N N 57 122.535 127.686 -5.151 1
1 632 . 13 1 1 A 58 58 VAL H H 58 8.884 9.101 -0.217 1
1 633 . 13 1 1 A 58 58 VAL HA H 58 5.053 4.898 0.155 1
1 641 . 13 1 1 A 58 58 VAL C C 58 174.027 173.348 0.679 1
1 642 . 13 1 1 A 58 58 VAL CA C 58 57.977 57.958 0.019 1
1 643 . 13 1 1 A 58 58 VAL CB C 58 35.583 34.593 0.990 1
1 646 . 13 1 1 A 58 58 VAL N N 58 122.081 122.092 -0.011 1
1 647 . 13 1 1 A 59 59 PRO HA H 59 4.573 4.913 -0.340 1
1 654 . 13 1 1 A 59 59 PRO C C 59 175.457 175.175 0.282 1
1 655 . 13 1 1 A 59 59 PRO CA C 59 63.643 62.384 1.259 1
1 656 . 13 1 1 A 59 59 PRO CB C 59 32.915 29.968 2.947 1
1 659 . 13 1 1 A 60 60 ASP H H 60 8.989 8.412 0.577 1
1 660 . 13 1 1 A 60 60 ASP HA H 60 5.179 5.301 -0.122 1
1 663 . 13 1 1 A 60 60 ASP C C 60 172.742 174.259 -1.517 1
1 664 . 13 1 1 A 60 60 ASP CA C 60 52.698 50.926 1.772 1
1 665 . 13 1 1 A 60 60 ASP CB C 60 43.314 41.346 1.968 1
1 666 . 13 1 1 A 60 60 ASP N N 60 122.718 123.857 -1.139 1
1 667 . 13 1 1 A 61 61 PRO HA H 61 4.681 5.040 -0.359 1
1 674 . 13 1 1 A 61 61 PRO C C 61 177.420 176.005 1.415 1
1 675 . 13 1 1 A 61 61 PRO CA C 61 63.594 62.419 1.175 1
1 676 . 13 1 1 A 61 61 PRO CB C 61 32.950 32.932 0.018 1
1 679 . 13 1 1 A 62 62 SER H H 62 7.803 8.412 -0.609 1
1 680 . 13 1 1 A 62 62 SER HA H 62 4.797 4.970 -0.173 1
1 683 . 13 1 1 A 62 62 SER C C 62 174.851 174.032 0.819 1
1 684 . 13 1 1 A 62 62 SER CA C 62 56.896 55.369 1.527 1
1 685 . 13 1 1 A 62 62 SER CB C 62 63.959 65.631 -1.672 1
1 686 . 13 1 1 A 62 62 SER N N 62 115.582 113.423 2.159 1
1 687 . 13 1 1 A 63 63 PRO HA H 63 4.089 4.516 -0.427 1
1 694 . 13 1 1 A 63 63 PRO C C 63 177.105 176.092 1.013 1
1 695 . 13 1 1 A 63 63 PRO CA C 63 66.024 64.135 1.889 1
1 696 . 13 1 1 A 63 63 PRO CB C 63 31.763 31.526 0.237 1
1 699 . 13 1 1 A 64 64 ASP H H 64 8.361 8.253 0.108 1
1 700 . 13 1 1 A 64 64 ASP HA H 64 4.290 4.773 -0.483 1
1 703 . 13 1 1 A 64 64 ASP C C 64 174.802 175.396 -0.594 1
1 704 . 13 1 1 A 64 64 ASP CA C 64 54.458 54.106 0.352 1
1 705 . 13 1 1 A 64 64 ASP CB C 64 40.481 42.947 -2.466 1
1 706 . 13 1 1 A 64 64 ASP N N 64 111.867 117.365 -5.498 1
1 707 . 13 1 1 A 65 65 HIS H H 65 7.781 7.379 0.402 1
1 708 . 13 1 1 A 65 65 HIS HA H 65 4.558 4.659 -0.101 1
1 713 . 13 1 1 A 65 65 HIS C C 65 174.972 174.640 0.332 1
1 714 . 13 1 1 A 65 65 HIS CA C 65 54.370 54.456 -0.086 1
1 715 . 13 1 1 A 65 65 HIS CB C 65 28.450 31.912 -3.462 1
1 718 . 13 1 1 A 65 65 HIS N N 65 120.793 116.876 3.917 1
1 719 . 13 1 1 A 66 66 LEU H H 66 8.206 8.099 0.107 1
1 720 . 13 1 1 A 66 66 LEU HA H 66 3.893 4.294 -0.401 1
1 730 . 13 1 1 A 66 66 LEU C C 66 178.826 176.323 2.503 1
1 731 . 13 1 1 A 66 66 LEU CA C 66 57.857 54.108 3.749 1
1 732 . 13 1 1 A 66 66 LEU CB C 66 42.245 41.213 1.032 1
1 736 . 13 1 1 A 66 66 LEU N N 66 124.390 125.544 -1.154 1
1 737 . 13 1 1 A 67 67 TYR H H 67 8.612 7.647 0.965 1
1 738 . 13 1 1 A 67 67 TYR HA H 67 5.417 4.989 0.428 1
1 745 . 13 1 1 A 67 67 TYR C C 67 176.403 175.404 0.999 1
1 746 . 13 1 1 A 67 67 TYR CA C 67 55.320 57.743 -2.423 1
1 747 . 13 1 1 A 67 67 TYR CB C 67 35.524 39.074 -3.550 1
1 752 . 13 1 1 A 67 67 TYR N N 67 118.042 119.632 -1.590 1
1 753 . 13 1 1 A 68 68 SER H H 68 6.652 7.629 -0.977 1
1 754 . 13 1 1 A 68 68 SER HA H 68 5.742 5.120 0.622 1
1 757 . 13 1 1 A 68 68 SER C C 68 174.827 173.988 0.839 1
1 758 . 13 1 1 A 68 68 SER CA C 68 56.147 56.500 -0.353 1
1 759 . 13 1 1 A 68 68 SER CB C 68 65.504 65.004 0.500 1
1 760 . 13 1 1 A 68 68 SER N N 68 111.076 114.667 -3.591 1
1 761 . 13 1 1 A 69 69 PHE H H 69 9.089 8.526 0.563 1
1 762 . 13 1 1 A 69 69 PHE HA H 69 5.212 5.816 -0.604 1
1 770 . 13 1 1 A 69 69 PHE C C 69 171.676 172.868 -1.192 1
1 771 . 13 1 1 A 69 69 PHE CA C 69 55.918 55.312 0.606 1
1 772 . 13 1 1 A 69 69 PHE CB C 69 41.034 42.197 -1.163 1
1 778 . 13 1 1 A 69 69 PHE N N 69 121.539 118.739 2.800 1
1 779 . 13 1 1 A 70 70 ARG H H 70 9.299 8.995 0.304 1
1 780 . 13 1 1 A 70 70 ARG HA H 70 5.333 5.154 0.179 1
1 787 . 13 1 1 A 70 70 ARG C C 70 174.197 174.280 -0.083 1
1 788 . 13 1 1 A 70 70 ARG CA C 70 54.198 54.468 -0.270 1
1 789 . 13 1 1 A 70 70 ARG CB C 70 35.236 34.108 1.128 1
1 792 . 13 1 1 A 70 70 ARG N N 70 117.458 118.347 -0.889 1
1 794 . 13 1 1 A 71 71 ILE H H 71 8.505 8.460 0.045 1
1 795 . 13 1 1 A 71 71 ILE HA H 71 4.974 5.309 -0.335 1
1 805 . 13 1 1 A 71 71 ILE C C 71 174.996 174.935 0.061 1
1 806 . 13 1 1 A 71 71 ILE CA C 71 60.622 59.816 0.806 1
1 807 . 13 1 1 A 71 71 ILE CB C 71 39.636 41.216 -1.580 1
1 811 . 13 1 1 A 71 71 ILE N N 71 119.757 123.067 -3.310 1
1 812 . 13 1 1 A 72 72 LEU H H 72 9.488 9.035 0.453 1
1 813 . 13 1 1 A 72 72 LEU HA H 72 5.473 5.384 0.089 1
1 823 . 13 1 1 A 72 72 LEU C C 72 176.172 175.434 0.738 1
1 824 . 13 1 1 A 72 72 LEU CA C 72 53.507 53.971 -0.464 1
1 825 . 13 1 1 A 72 72 LEU CB C 72 46.393 46.144 0.249 1
1 829 . 13 1 1 A 72 72 LEU N N 72 128.277 125.225 3.052 1
1 830 . 13 1 1 A 73 73 HIS H H 73 9.087 9.172 -0.085 1
1 831 . 13 1 1 A 73 73 HIS HA H 73 4.888 4.939 -0.051 1
1 836 . 13 1 1 A 73 73 HIS C C 73 175.118 174.376 0.742 1
1 837 . 13 1 1 A 73 73 HIS CA C 73 56.675 55.452 1.223 1
1 838 . 13 1 1 A 73 73 HIS CB C 73 32.933 31.741 1.192 1
1 841 . 13 1 1 A 73 73 HIS N N 73 119.084 122.690 -3.606 1
1 842 . 13 1 1 A 74 74 LYS H H 74 9.551 9.530 0.021 1
1 843 . 13 1 1 A 74 74 LYS HA H 74 3.763 3.801 -0.038 1
1 852 . 13 1 1 A 74 74 LYS C C 74 176.851 176.626 0.225 1
1 853 . 13 1 1 A 74 74 LYS CA C 74 56.969 57.471 -0.502 1
1 854 . 13 1 1 A 74 74 LYS CB C 74 29.766 29.898 -0.132 1
1 858 . 13 1 1 A 74 74 LYS N N 74 128.764 127.402 1.362 1
1 859 . 13 1 1 A 75 75 GLY H H 75 8.877 8.370 0.507 1
1 860 . 13 1 1 A 75 75 GLY HA2 H 75 3.523 3.913 -0.390 1
1 861 . 13 1 1 A 75 75 GLY HA3 H 75 4.213 3.914 0.299 1
1 862 . 13 1 1 A 75 75 GLY C C 75 173.566 174.091 -0.525 1
1 863 . 13 1 1 A 75 75 GLY CA C 75 45.346 45.102 0.244 1
1 864 . 13 1 1 A 75 75 GLY N N 75 104.552 105.734 -1.182 1
1 865 . 13 1 1 A 76 76 GLU H H 76 7.922 7.812 0.110 1
1 866 . 13 1 1 A 76 76 GLU HA H 76 4.491 4.620 -0.129 1
1 871 . 13 1 1 A 76 76 GLU C C 76 175.651 175.274 0.377 1
1 872 . 13 1 1 A 76 76 GLU CA C 76 54.721 55.233 -0.512 1
1 873 . 13 1 1 A 76 76 GLU CB C 76 31.187 31.060 0.127 1
1 875 . 13 1 1 A 76 76 GLU N N 76 121.492 120.318 1.174 1
1 876 . 13 1 1 A 77 77 GLU H H 77 8.925 8.661 0.264 1
1 877 . 13 1 1 A 77 77 GLU HA H 77 4.309 4.591 -0.282 1
1 881 . 13 1 1 A 77 77 GLU C C 77 175.857 175.803 0.054 1
1 882 . 13 1 1 A 77 77 GLU CA C 77 57.412 56.460 0.952 1
1 883 . 13 1 1 A 77 77 GLU CB C 77 31.146 31.223 -0.077 1
1 885 . 13 1 1 A 77 77 GLU N N 77 125.541 121.549 3.992 1
1 886 . 13 1 1 A 78 78 LEU H H 78 9.475 8.745 0.730 1
1 887 . 13 1 1 A 78 78 LEU HA H 78 4.513 4.421 0.092 1
1 897 . 13 1 1 A 78 78 LEU C C 78 177.541 176.538 1.003 1
1 898 . 13 1 1 A 78 78 LEU CA C 78 55.443 55.990 -0.547 1
1 899 . 13 1 1 A 78 78 LEU CB C 78 43.776 43.061 0.715 1
1 903 . 13 1 1 A 78 78 LEU N N 78 128.715 127.669 1.046 1
1 904 . 13 1 1 A 79 79 ALA H H 79 7.550 7.500 0.050 1
1 905 . 13 1 1 A 79 79 ALA HA H 79 4.503 4.585 -0.082 1
1 909 . 13 1 1 A 79 79 ALA C C 79 174.342 175.234 -0.892 1
1 910 . 13 1 1 A 79 79 ALA CA C 79 51.906 51.571 0.335 1
1 911 . 13 1 1 A 79 79 ALA CB C 79 22.017 22.489 -0.472 1
1 912 . 13 1 1 A 79 79 ALA N N 79 116.317 116.509 -0.192 1
1 913 . 13 1 1 A 80 80 LYS H H 80 8.743 8.636 0.107 1
1 914 . 13 1 1 A 80 80 LYS HA H 80 4.725 4.842 -0.117 1
1 923 . 13 1 1 A 80 80 LYS C C 80 172.973 174.565 -1.592 1
1 924 . 13 1 1 A 80 80 LYS CA C 80 56.604 55.479 1.125 1
1 925 . 13 1 1 A 80 80 LYS CB C 80 34.331 36.054 -1.723 1
1 929 . 13 1 1 A 80 80 LYS N N 80 123.623 119.467 4.156 1
1 930 . 13 1 1 A 81 81 LEU H H 81 8.504 9.052 -0.548 1
1 931 . 13 1 1 A 81 81 LEU HA H 81 5.531 5.445 0.086 1
1 941 . 13 1 1 A 81 81 LEU C C 81 176.366 175.275 1.091 1
1 942 . 13 1 1 A 81 81 LEU CA C 81 53.665 53.051 0.614 1
1 943 . 13 1 1 A 81 81 LEU CB C 81 45.969 44.977 0.992 1
1 947 . 13 1 1 A 81 81 LEU N N 81 124.594 128.010 -3.416 1
1 948 . 13 1 1 A 82 82 GLU H H 82 9.018 8.181 0.837 1
1 949 . 13 1 1 A 82 82 GLU HA H 82 4.826 4.396 0.430 1
1 954 . 13 1 1 A 82 82 GLU C C 82 174.439 174.760 -0.321 1
1 955 . 13 1 1 A 82 82 GLU CA C 82 56.376 54.678 1.698 1
1 956 . 13 1 1 A 82 82 GLU CB C 82 32.852 32.625 0.227 1
1 958 . 13 1 1 A 82 82 GLU N N 82 118.819 120.805 -1.986 1
1 959 . 13 1 1 A 83 83 ALA H H 83 8.027 8.508 -0.481 1
1 960 . 13 1 1 A 83 83 ALA HA H 83 4.980 4.731 0.249 1
1 964 . 13 1 1 A 83 83 ALA C C 83 176.439 178.650 -2.211 1
1 965 . 13 1 1 A 83 83 ALA CA C 83 50.059 50.279 -0.220 1
1 966 . 13 1 1 A 83 83 ALA CB C 83 21.702 21.373 0.329 1
1 967 . 13 1 1 A 83 83 ALA N N 83 127.765 127.800 -0.035 1
1 968 . 13 1 1 A 84 84 LYS H H 84 9.017 8.610 0.407 1
1 969 . 13 1 1 A 84 84 LYS HA H 84 4.432 4.467 -0.035 1
1 977 . 13 1 1 A 84 84 LYS C C 84 175.930 176.285 -0.355 1
1 978 . 13 1 1 A 84 84 LYS CA C 84 56.956 56.820 0.136 1
1 979 . 13 1 1 A 84 84 LYS CB C 84 32.974 33.747 -0.773 1
1 983 . 13 1 1 A 84 84 LYS N N 84 115.456 116.542 -1.086 1
1 984 . 13 1 1 A 85 85 SER H H 85 7.324 7.519 -0.195 1
1 985 . 13 1 1 A 85 85 SER HA H 85 4.074 3.911 0.163 1
1 988 . 13 1 1 A 85 85 SER C C 85 173.421 173.867 -0.446 1
1 989 . 13 1 1 A 85 85 SER CA C 85 56.038 55.467 0.571 1
1 990 . 13 1 1 A 85 85 SER CB C 85 66.506 66.353 0.153 1
1 991 . 13 1 1 A 85 85 SER N N 85 110.261 111.816 -1.555 1
1 992 . 13 1 1 A 86 86 SER H H 86 8.610 8.419 0.191 1
1 993 . 13 1 1 A 86 86 SER HA H 86 3.648 4.145 -0.497 1
1 996 . 13 1 1 A 86 86 SER C C 86 177.784 176.603 1.181 1
1 997 . 13 1 1 A 86 86 SER CA C 86 61.391 61.262 0.129 1
1 998 . 13 1 1 A 86 86 SER CB C 86 62.378 63.040 -0.662 1
1 999 . 13 1 1 A 86 86 SER N N 86 117.136 117.015 0.121 1
1 1000 . 13 1 1 A 87 87 GLU H H 87 8.890 7.522 1.368 1
1 1001 . 13 1 1 A 87 87 GLU HA H 87 4.031 4.109 -0.078 1
1 1006 . 13 1 1 A 87 87 GLU C C 87 179.492 179.117 0.375 1
1 1007 . 13 1 1 A 87 87 GLU CA C 87 59.983 59.272 0.711 1
1 1008 . 13 1 1 A 87 87 GLU CB C 87 28.969 29.628 -0.659 1
1 1010 . 13 1 1 A 87 87 GLU N N 87 123.189 122.034 1.155 1
1 1011 . 13 1 1 A 88 88 GLU H H 88 8.015 7.768 0.247 1
1 1012 . 13 1 1 A 88 88 GLU HA H 88 4.243 4.147 0.096 1
1 1017 . 13 1 1 A 88 88 GLU C C 88 178.472 178.725 -0.253 1
1 1018 . 13 1 1 A 88 88 GLU CA C 88 59.642 59.351 0.291 1
1 1019 . 13 1 1 A 88 88 GLU CB C 88 31.016 29.208 1.808 1
1 1021 . 13 1 1 A 88 88 GLU N N 88 121.015 120.525 0.490 1
1 1022 . 13 1 1 A 89 89 MET H H 89 8.334 8.507 -0.173 1
1 1023 . 13 1 1 A 89 89 MET HA H 89 3.843 4.238 -0.395 1
1 1030 . 13 1 1 A 89 89 MET C C 89 177.396 178.644 -1.248 1
1 1031 . 13 1 1 A 89 89 MET CA C 89 60.458 57.995 2.463 1
1 1032 . 13 1 1 A 89 89 MET CB C 89 32.481 32.450 0.031 1
1 1035 . 13 1 1 A 89 89 MET N N 89 119.764 119.093 0.671 1
1 1036 . 13 1 1 A 90 90 GLY H H 90 8.452 8.172 0.280 1
1 1037 . 13 1 1 A 90 90 GLY HA2 H 90 4.008 3.700 0.308 1
1 1038 . 13 1 1 A 90 90 GLY HA3 H 90 3.723 3.727 -0.004 1
1 1039 . 13 1 1 A 90 90 GLY C C 90 176.814 175.447 1.367 1
1 1040 . 13 1 1 A 90 90 GLY CA C 90 47.489 46.811 0.678 1
1 1041 . 13 1 1 A 90 90 GLY N N 90 105.180 108.594 -3.414 1
1 1042 . 13 1 1 A 91 91 HIS H H 91 7.919 8.102 -0.183 1
1 1043 . 13 1 1 A 91 91 HIS HA H 91 4.329 4.168 0.161 1
1 1048 . 13 1 1 A 91 91 HIS C C 91 178.208 176.994 1.214 1
1 1049 . 13 1 1 A 91 91 HIS CA C 91 59.367 58.858 0.509 1
1 1050 . 13 1 1 A 91 91 HIS CB C 91 30.612 29.842 0.770 1
1 1053 . 13 1 1 A 91 91 HIS N N 91 121.929 121.235 0.694 1
1 1054 . 13 1 1 A 92 92 TRP H H 92 8.199 7.289 0.910 1
1 1055 . 13 1 1 A 92 92 TRP HA H 92 3.829 4.249 -0.420 1
1 1064 . 13 1 1 A 92 92 TRP C C 92 178.257 178.647 -0.390 1
1 1065 . 13 1 1 A 92 92 TRP CA C 92 62.464 59.142 3.322 1
1 1066 . 13 1 1 A 92 92 TRP CB C 92 29.190 29.647 -0.457 1
1 1072 . 13 1 1 A 92 92 TRP N N 92 120.070 117.393 2.677 1
1 1074 . 13 1 1 A 93 93 LEU H H 93 8.740 8.148 0.592 1
1 1075 . 13 1 1 A 93 93 LEU HA H 93 3.695 3.709 -0.014 1
1 1085 . 13 1 1 A 93 93 LEU C C 93 179.105 179.192 -0.087 1
1 1086 . 13 1 1 A 93 93 LEU CA C 93 59.076 58.219 0.857 1
1 1087 . 13 1 1 A 93 93 LEU CB C 93 40.993 41.922 -0.929 1
1 1091 . 13 1 1 A 93 93 LEU N N 93 119.445 120.265 -0.820 1
1 1092 . 13 1 1 A 94 94 GLY H H 94 7.616 8.085 -0.469 1
1 1093 . 13 1 1 A 94 94 GLY HA2 H 94 3.852 3.627 0.225 1
1 1094 . 13 1 1 A 94 94 GLY HA3 H 94 3.759 3.648 0.111 1
1 1095 . 13 1 1 A 94 94 GLY C C 94 176.693 175.478 1.215 1
1 1096 . 13 1 1 A 94 94 GLY CA C 94 47.120 47.219 -0.099 1
1 1097 . 13 1 1 A 94 94 GLY N N 94 102.951 105.521 -2.570 1
1 1098 . 13 1 1 A 95 95 LEU H H 95 7.853 7.996 -0.143 1
1 1099 . 13 1 1 A 95 95 LEU HA H 95 4.024 3.887 0.137 1
1 1109 . 13 1 1 A 95 95 LEU C C 95 179.589 178.405 1.184 1
1 1110 . 13 1 1 A 95 95 LEU CA C 95 57.678 57.350 0.328 1
1 1111 . 13 1 1 A 95 95 LEU CB C 95 42.533 41.141 1.392 1
1 1115 . 13 1 1 A 95 95 LEU N N 95 123.479 122.785 0.694 1
1 1116 . 13 1 1 A 96 96 LEU H H 96 8.649 8.484 0.165 1
1 1117 . 13 1 1 A 96 96 LEU HA H 96 3.971 4.457 -0.486 1
1 1127 . 13 1 1 A 96 96 LEU C C 96 179.068 179.244 -0.176 1
1 1128 . 13 1 1 A 96 96 LEU CA C 96 57.906 57.771 0.135 1
1 1129 . 13 1 1 A 96 96 LEU CB C 96 42.104 41.397 0.707 1
1 1133 . 13 1 1 A 96 96 LEU N N 96 118.046 118.177 -0.131 1
1 1134 . 13 1 1 A 97 97 LEU H H 97 8.198 8.200 -0.002 1
1 1135 . 13 1 1 A 97 97 LEU HA H 97 4.234 3.890 0.344 1
1 1145 . 13 1 1 A 97 97 LEU C C 97 180.177 179.181 0.996 1
1 1146 . 13 1 1 A 97 97 LEU CA C 97 57.361 58.041 -0.680 1
1 1147 . 13 1 1 A 97 97 LEU CB C 97 41.611 41.383 0.228 1
1 1151 . 13 1 1 A 97 97 LEU N N 97 118.670 119.742 -1.072 1
1 1152 . 13 1 1 A 98 98 SER H H 98 7.818 8.035 -0.217 1
1 1153 . 13 1 1 A 98 98 SER HA H 98 4.328 4.062 0.266 1
1 1156 . 13 1 1 A 98 98 SER C C 98 176.863 177.191 -0.328 1
1 1157 . 13 1 1 A 98 98 SER CA C 98 61.004 61.818 -0.814 1
1 1158 . 13 1 1 A 98 98 SER CB C 98 63.322 62.680 0.642 1
1 1159 . 13 1 1 A 98 98 SER N N 98 115.679 113.784 1.895 1
1 1160 . 13 1 1 A 99 99 GLU H H 99 8.003 7.881 0.122 1
1 1161 . 13 1 1 A 99 99 GLU HA H 99 4.193 4.178 0.015 1
1 1166 . 13 1 1 A 99 99 GLU C C 99 177.226 177.900 -0.674 1
1 1167 . 13 1 1 A 99 99 GLU CA C 99 57.449 58.842 -1.393 1
1 1168 . 13 1 1 A 99 99 GLU CB C 99 30.260 29.295 0.965 1
1 1170 . 13 1 1 A 99 99 GLU N N 99 120.518 122.144 -1.626 1
1 1171 . 13 1 1 A 100 100 SER H H 100 7.892 8.069 -0.177 1
1 1172 . 13 1 1 A 100 100 SER HA H 100 4.582 4.432 0.150 1
1 1175 . 13 1 1 A 100 100 SER C C 100 175.881 175.352 0.529 1
1 1176 . 13 1 1 A 100 100 SER CA C 100 59.561 57.629 1.932 1
1 1177 . 13 1 1 A 100 100 SER CB C 100 64.188 63.058 1.130 1
1 1178 . 13 1 1 A 100 100 SER N N 100 113.686 111.882 1.804 1
1 1179 . 13 1 1 A 101 101 GLY H H 101 7.861 7.839 0.022 1
1 1180 . 13 1 1 A 101 101 GLY HA2 H 101 4.114 3.896 0.218 1
1 1181 . 13 1 1 A 101 101 GLY HA3 H 101 4.063 3.897 0.166 1
1 1182 . 13 1 1 A 101 101 GLY C C 101 174.076 175.096 -1.020 1
1 1183 . 13 1 1 A 101 101 GLY CA C 101 45.501 47.082 -1.581 1
1 1184 . 13 1 1 A 101 101 GLY N N 101 109.148 110.391 -1.243 1
1 1185 . 13 1 1 A 102 102 SER H H 102 8.260 8.059 0.201 1
1 1186 . 13 1 1 A 102 102 SER HA H 102 4.543 4.063 0.480 1
1 1189 . 13 1 1 A 102 102 SER C C 102 174.851 174.571 0.280 1
1 1190 . 13 1 1 A 102 102 SER CA C 102 58.646 61.180 -2.534 1
1 1191 . 13 1 1 A 102 102 SER CB C 102 64.211 63.496 0.715 1
1 1192 . 13 1 1 A 102 102 SER N N 102 116.298 115.182 1.116 1
1 1193 . 13 1 1 A 103 103 GLY H H 103 8.252 7.864 0.388 1
1 1194 . 13 1 1 A 103 103 GLY HA2 H 103 4.173 4.034 0.139 1
1 1195 . 13 1 1 A 103 103 GLY HA3 H 103 4.074 4.036 0.038 1
1 1196 . 13 1 1 A 103 103 GLY C C 103 171.773 173.728 -1.955 1
1 1197 . 13 1 1 A 103 103 GLY CA C 103 44.777 45.114 -0.337 1
1 1198 . 13 1 1 A 103 103 GLY N N 103 110.162 108.418 1.744 1
1 1199 . 13 1 1 A 104 104 PRO HA H 104 4.515 4.681 -0.166 1
1 1206 . 13 1 1 A 104 104 PRO CA C 104 63.224 62.629 0.595 1
1 1207 . 13 1 1 A 104 104 PRO CB C 104 32.174 31.669 0.505 1
1 1210 . 13 1 1 A 105 105 SER H H 105 8.559 8.794 -0.235 1
1 1211 . 13 1 1 A 105 105 SER CA C 105 60.998 59.895 1.103 1
1 1212 . 13 1 1 A 105 105 SER CB C 105 63.768 64.142 -0.374 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.952 4.011 -0.059 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.952 4.023 -0.071 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.197 171.983 2.214 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.378 45.848 -0.470 1
1 5 . 14 1 1 A 8 8 LEU H H 8 8.030 9.051 -1.021 1
1 6 . 14 1 1 A 8 8 LEU HA H 8 4.321 4.938 -0.617 1
1 16 . 14 1 1 A 8 8 LEU C C 8 177.468 174.679 2.789 1
1 17 . 14 1 1 A 8 8 LEU CA C 8 55.320 53.611 1.709 1
1 18 . 14 1 1 A 8 8 LEU CB C 8 42.556 43.723 -1.167 1
1 22 . 14 1 1 A 8 8 LEU N N 8 121.494 126.816 -5.322 1
1 23 . 14 1 1 A 9 9 GLU H H 9 8.577 8.733 -0.156 1
1 24 . 14 1 1 A 9 9 GLU HA H 9 4.454 4.681 -0.227 1
1 29 . 14 1 1 A 9 9 GLU C C 9 177.056 177.075 -0.019 1
1 30 . 14 1 1 A 9 9 GLU CA C 9 56.956 54.998 1.958 1
1 31 . 14 1 1 A 9 9 GLU CB C 9 30.237 30.165 0.072 1
1 33 . 14 1 1 A 9 9 GLU N N 9 121.449 126.189 -4.740 1
1 34 . 14 1 1 A 10 10 THR H H 10 8.189 8.418 -0.229 1
1 35 . 14 1 1 A 10 10 THR HA H 10 4.323 3.833 0.490 1
1 40 . 14 1 1 A 10 10 THR CA C 10 62.062 62.965 -0.903 1
1 41 . 14 1 1 A 10 10 THR CB C 10 69.441 66.612 2.829 1
1 43 . 14 1 1 A 10 10 THR N N 10 113.730 117.734 -4.004 1
1 44 . 14 1 1 A 11 11 SER H H 11 7.883 7.440 0.443 1
1 45 . 14 1 1 A 11 11 SER HA H 11 5.249 5.174 0.075 1
1 48 . 14 1 1 A 11 11 SER CA C 11 57.852 57.388 0.464 1
1 49 . 14 1 1 A 11 11 SER CB C 11 65.426 65.790 -0.364 1
1 50 . 14 1 1 A 12 12 SER H H 12 8.413 8.679 -0.266 1
1 51 . 14 1 1 A 12 12 SER HA H 12 4.467 4.441 0.026 1
1 54 . 14 1 1 A 12 12 SER CA C 12 58.741 56.958 1.783 1
1 55 . 14 1 1 A 12 12 SER CB C 12 65.239 65.079 0.160 1
1 56 . 14 1 1 A 12 12 SER N N 12 116.995 117.578 -0.583 1
1 57 . 14 1 1 A 13 13 TYR H H 13 8.156 7.957 0.199 1
1 58 . 14 1 1 A 13 13 TYR HA H 13 4.936 4.476 0.460 1
1 65 . 14 1 1 A 13 13 TYR CA C 13 58.533 58.065 0.468 1
1 68 . 14 1 1 A 13 13 TYR N N 13 121.972 122.316 -0.344 1
1 69 . 14 1 1 A 14 14 LEU H H 14 8.803 8.920 -0.117 1
1 70 . 14 1 1 A 14 14 LEU HA H 14 4.573 4.914 -0.341 1
1 80 . 14 1 1 A 14 14 LEU C C 14 175.845 175.908 -0.063 1
1 81 . 14 1 1 A 14 14 LEU CA C 14 54.141 52.964 1.177 1
1 82 . 14 1 1 A 14 14 LEU CB C 14 46.603 44.265 2.338 1
1 86 . 14 1 1 A 14 14 LEU N N 14 123.967 125.803 -1.836 1
1 87 . 14 1 1 A 15 15 ASN H H 15 8.090 8.796 -0.706 1
1 88 . 14 1 1 A 15 15 ASN HA H 15 5.669 5.117 0.552 1
1 93 . 14 1 1 A 15 15 ASN C C 15 174.972 174.189 0.783 1
1 94 . 14 1 1 A 15 15 ASN CA C 15 51.589 52.770 -1.181 1
1 95 . 14 1 1 A 15 15 ASN CB C 15 40.317 39.486 0.831 1
1 96 . 14 1 1 A 15 15 ASN N N 15 117.248 120.463 -3.215 1
1 98 . 14 1 1 A 16 16 VAL H H 16 9.452 8.768 0.684 1
1 99 . 14 1 1 A 16 16 VAL HA H 16 4.743 4.471 0.272 1
1 107 . 14 1 1 A 16 16 VAL C C 16 174.269 176.271 -2.002 1
1 108 . 14 1 1 A 16 16 VAL CA C 16 60.574 62.058 -1.484 1
1 109 . 14 1 1 A 16 16 VAL CB C 16 35.194 32.446 2.748 1
1 112 . 14 1 1 A 16 16 VAL N N 16 122.909 125.651 -2.742 1
1 113 . 14 1 1 A 17 17 LEU H H 17 7.892 8.836 -0.944 1
1 114 . 14 1 1 A 17 17 LEU HA H 17 3.679 3.902 -0.223 1
1 124 . 14 1 1 A 17 17 LEU C C 17 175.747 175.063 0.684 1
1 125 . 14 1 1 A 17 17 LEU CA C 17 54.493 56.087 -1.594 1
1 126 . 14 1 1 A 17 17 LEU CB C 17 40.541 41.368 -0.827 1
1 130 . 14 1 1 A 17 17 LEU N N 17 130.093 131.115 -1.022 1
1 131 . 14 1 1 A 18 18 VAL H H 18 8.923 8.848 0.075 1
1 132 . 14 1 1 A 18 18 VAL HA H 18 4.053 4.300 -0.247 1
1 140 . 14 1 1 A 18 18 VAL C C 18 175.869 175.777 0.092 1
1 141 . 14 1 1 A 18 18 VAL CA C 18 61.285 61.246 0.039 1
1 142 . 14 1 1 A 18 18 VAL CB C 18 33.609 34.340 -0.731 1
1 145 . 14 1 1 A 18 18 VAL N N 18 130.417 127.671 2.746 1
1 146 . 14 1 1 A 19 19 ASN H H 19 9.323 9.366 -0.043 1
1 147 . 14 1 1 A 19 19 ASN HA H 19 4.232 4.318 -0.086 1
1 152 . 14 1 1 A 19 19 ASN C C 19 174.948 174.435 0.513 1
1 153 . 14 1 1 A 19 19 ASN CA C 19 54.809 54.587 0.222 1
1 154 . 14 1 1 A 19 19 ASN CB C 19 37.192 36.705 0.487 1
1 155 . 14 1 1 A 19 19 ASN N N 19 127.579 127.757 -0.178 1
1 157 . 14 1 1 A 20 20 SER H H 20 8.464 8.416 0.048 1
1 158 . 14 1 1 A 20 20 SER HA H 20 3.653 3.878 -0.225 1
1 161 . 14 1 1 A 20 20 SER C C 20 172.645 172.883 -0.238 1
1 162 . 14 1 1 A 20 20 SER CA C 20 60.458 59.710 0.748 1
1 163 . 14 1 1 A 20 20 SER CB C 20 62.584 61.120 1.464 1
1 164 . 14 1 1 A 20 20 SER N N 20 106.869 106.051 0.818 1
1 165 . 14 1 1 A 21 21 GLN H H 21 7.695 7.140 0.555 1
1 166 . 14 1 1 A 21 21 GLN HA H 21 4.591 4.746 -0.155 1
1 173 . 14 1 1 A 21 21 GLN C C 21 174.003 174.618 -0.615 1
1 174 . 14 1 1 A 21 21 GLN CA C 21 53.772 54.160 -0.388 1
1 175 . 14 1 1 A 21 21 GLN CB C 21 32.069 32.355 -0.286 1
1 177 . 14 1 1 A 21 21 GLN N N 21 120.372 117.813 2.559 1
1 179 . 14 1 1 A 22 22 TRP H H 22 8.743 8.756 -0.013 1
1 180 . 14 1 1 A 22 22 TRP HA H 22 4.690 5.061 -0.371 1
1 189 . 14 1 1 A 22 22 TRP C C 22 176.863 176.136 0.727 1
1 190 . 14 1 1 A 22 22 TRP CA C 22 57.062 56.609 0.453 1
1 191 . 14 1 1 A 22 22 TRP CB C 22 29.323 29.441 -0.118 1
1 197 . 14 1 1 A 22 22 TRP N N 22 124.919 123.011 1.908 1
1 199 . 14 1 1 A 23 23 LYS H H 23 9.302 8.966 0.336 1
1 200 . 14 1 1 A 23 23 LYS HA H 23 4.798 5.053 -0.255 1
1 208 . 14 1 1 A 23 23 LYS C C 23 176.050 175.774 0.276 1
1 209 . 14 1 1 A 23 23 LYS CA C 23 54.106 54.615 -0.509 1
1 210 . 14 1 1 A 23 23 LYS CB C 23 35.583 34.942 0.641 1
1 214 . 14 1 1 A 23 23 LYS N N 23 124.474 121.597 2.877 1
1 215 . 14 1 1 A 24 24 SER H H 24 8.740 8.679 0.061 1
1 216 . 14 1 1 A 24 24 SER HA H 24 5.035 4.501 0.534 1
1 219 . 14 1 1 A 24 24 SER C C 24 175.905 174.740 1.165 1
1 220 . 14 1 1 A 24 24 SER CA C 24 58.857 60.179 -1.322 1
1 221 . 14 1 1 A 24 24 SER CB C 24 63.489 63.695 -0.206 1
1 222 . 14 1 1 A 24 24 SER N N 24 118.568 119.373 -0.805 1
1 223 . 14 1 1 A 25 25 ARG H H 25 9.302 8.359 0.943 1
1 224 . 14 1 1 A 25 25 ARG HA H 25 4.946 4.856 0.090 1
1 231 . 14 1 1 A 25 25 ARG C C 25 173.724 174.327 -0.603 1
1 232 . 14 1 1 A 25 25 ARG CA C 25 54.440 55.288 -0.848 1
1 233 . 14 1 1 A 25 25 ARG CB C 25 34.825 34.414 0.411 1
1 236 . 14 1 1 A 25 25 ARG N N 25 126.895 124.993 1.902 1
1 237 . 14 1 1 A 26 26 TRP H H 26 8.668 8.828 -0.160 1
1 238 . 14 1 1 A 26 26 TRP HA H 26 4.780 5.058 -0.278 1
1 247 . 14 1 1 A 26 26 TRP C C 26 175.796 175.185 0.611 1
1 248 . 14 1 1 A 26 26 TRP CA C 26 57.555 57.213 0.342 1
1 249 . 14 1 1 A 26 26 TRP CB C 26 29.833 31.049 -1.216 1
1 255 . 14 1 1 A 26 26 TRP N N 26 123.493 127.619 -4.126 1
1 257 . 14 1 1 A 27 27 CYS H H 27 8.884 8.842 0.042 1
1 258 . 14 1 1 A 27 27 CYS HA H 27 5.668 5.371 0.297 1
1 261 . 14 1 1 A 27 27 CYS C C 27 174.560 173.555 1.005 1
1 262 . 14 1 1 A 27 27 CYS CA C 27 58.184 57.474 0.710 1
1 263 . 14 1 1 A 27 27 CYS CB C 27 31.516 30.235 1.281 1
1 264 . 14 1 1 A 27 27 CYS N N 27 124.947 126.298 -1.351 1
1 265 . 14 1 1 A 28 28 SER H H 28 8.566 8.783 -0.217 1
1 266 . 14 1 1 A 28 28 SER HA H 28 5.240 5.365 -0.125 1
1 269 . 14 1 1 A 28 28 SER C C 28 173.106 172.970 0.136 1
1 270 . 14 1 1 A 28 28 SER CA C 28 57.027 56.638 0.389 1
1 271 . 14 1 1 A 28 28 SER CB C 28 66.738 65.572 1.166 1
1 272 . 14 1 1 A 28 28 SER N N 28 114.751 120.104 -5.353 1
1 273 . 14 1 1 A 29 29 VAL H H 29 8.843 8.976 -0.133 1
1 274 . 14 1 1 A 29 29 VAL HA H 29 5.302 5.094 0.208 1
1 282 . 14 1 1 A 29 29 VAL C C 29 175.905 175.392 0.513 1
1 283 . 14 1 1 A 29 29 VAL CA C 29 61.233 61.726 -0.493 1
1 284 . 14 1 1 A 29 29 VAL CB C 29 32.832 32.853 -0.021 1
1 287 . 14 1 1 A 29 29 VAL N N 29 125.688 127.796 -2.108 1
1 288 . 14 1 1 A 30 30 ARG H H 30 8.964 9.135 -0.171 1
1 289 . 14 1 1 A 30 30 ARG HA H 30 4.620 4.569 0.051 1
1 295 . 14 1 1 A 30 30 ARG C C 30 176.160 174.550 1.610 1
1 296 . 14 1 1 A 30 30 ARG CA C 30 55.901 56.083 -0.182 1
1 297 . 14 1 1 A 30 30 ARG CB C 30 33.198 33.175 0.023 1
1 300 . 14 1 1 A 30 30 ARG N N 30 125.513 125.633 -0.120 1
1 301 . 14 1 1 A 31 31 ASP H H 31 9.773 9.405 0.368 1
1 302 . 14 1 1 A 31 31 ASP HA H 31 4.451 4.401 0.050 1
1 305 . 14 1 1 A 31 31 ASP C C 31 177.008 175.521 1.487 1
1 306 . 14 1 1 A 31 31 ASP CA C 31 55.936 55.622 0.314 1
1 307 . 14 1 1 A 31 31 ASP CB C 31 39.659 39.239 0.420 1
1 308 . 14 1 1 A 31 31 ASP N N 31 127.085 126.169 0.916 1
1 309 . 14 1 1 A 32 32 ASN H H 32 9.639 8.669 0.970 1
1 310 . 14 1 1 A 32 32 ASN HA H 32 4.535 4.361 0.174 1
1 315 . 14 1 1 A 32 32 ASN C C 32 172.766 173.798 -1.032 1
1 316 . 14 1 1 A 32 32 ASN CA C 32 55.549 54.753 0.796 1
1 317 . 14 1 1 A 32 32 ASN CB C 32 38.238 37.067 1.171 1
1 318 . 14 1 1 A 32 32 ASN N N 32 112.101 108.641 3.460 1
1 320 . 14 1 1 A 33 33 HIS H H 33 8.292 7.841 0.451 1
1 321 . 14 1 1 A 33 33 HIS HA H 33 5.368 5.586 -0.218 1
1 326 . 14 1 1 A 33 33 HIS C C 33 172.718 173.488 -0.770 1
1 327 . 14 1 1 A 33 33 HIS CA C 33 55.303 54.720 0.583 1
1 328 . 14 1 1 A 33 33 HIS CB C 33 32.851 34.390 -1.539 1
1 331 . 14 1 1 A 33 33 HIS N N 33 116.294 116.263 0.031 1
1 332 . 14 1 1 A 34 34 LEU H H 34 8.987 9.067 -0.080 1
1 333 . 14 1 1 A 34 34 LEU HA H 34 4.784 5.121 -0.337 1
1 342 . 14 1 1 A 34 34 LEU C C 34 173.240 175.320 -2.080 1
1 343 . 14 1 1 A 34 34 LEU CA C 34 53.719 53.543 0.176 1
1 344 . 14 1 1 A 34 34 LEU CB C 34 45.147 44.138 1.009 1
1 348 . 14 1 1 A 34 34 LEU N N 34 122.961 125.310 -2.349 1
1 349 . 14 1 1 A 35 35 HIS H H 35 9.169 9.517 -0.348 1
1 350 . 14 1 1 A 35 35 HIS HA H 35 4.713 5.116 -0.403 1
1 355 . 14 1 1 A 35 35 HIS C C 35 174.778 175.138 -0.360 1
1 356 . 14 1 1 A 35 35 HIS CA C 35 55.284 56.358 -1.074 1
1 357 . 14 1 1 A 35 35 HIS CB C 35 34.455 31.731 2.724 1
1 360 . 14 1 1 A 35 35 HIS N N 35 125.201 126.178 -0.977 1
1 361 . 14 1 1 A 36 36 PHE H H 36 9.522 8.913 0.609 1
1 362 . 14 1 1 A 36 36 PHE HA H 36 5.014 5.528 -0.514 1
1 370 . 14 1 1 A 36 36 PHE C C 36 174.911 174.017 0.894 1
1 371 . 14 1 1 A 36 36 PHE CA C 36 56.217 56.593 -0.376 1
1 372 . 14 1 1 A 36 36 PHE CB C 36 43.666 42.732 0.934 1
1 378 . 14 1 1 A 36 36 PHE N N 36 118.294 118.227 0.067 1
1 379 . 14 1 1 A 37 37 TYR H H 37 9.783 9.164 0.619 1
1 380 . 14 1 1 A 37 37 TYR HA H 37 5.453 5.088 0.365 1
1 387 . 14 1 1 A 37 37 TYR C C 37 176.475 174.589 1.886 1
1 388 . 14 1 1 A 37 37 TYR CA C 37 57.185 56.639 0.546 1
1 389 . 14 1 1 A 37 37 TYR CB C 37 41.569 43.294 -1.725 1
1 394 . 14 1 1 A 37 37 TYR N N 37 121.241 120.555 0.686 1
1 395 . 14 1 1 A 38 38 GLN H H 38 9.233 8.429 0.804 1
1 396 . 14 1 1 A 38 38 GLN HA H 38 4.480 4.833 -0.353 1
1 403 . 14 1 1 A 38 38 GLN C C 38 175.408 175.149 0.259 1
1 404 . 14 1 1 A 38 38 GLN CA C 38 57.977 55.042 2.935 1
1 405 . 14 1 1 A 38 38 GLN CB C 38 29.825 28.203 1.622 1
1 407 . 14 1 1 A 38 38 GLN N N 38 119.348 121.186 -1.838 1
1 409 . 14 1 1 A 39 39 ASP H H 39 8.674 8.359 0.315 1
1 410 . 14 1 1 A 39 39 ASP HA H 39 4.849 4.505 0.344 1
1 413 . 14 1 1 A 39 39 ASP CA C 39 52.402 55.242 -2.840 1
1 414 . 14 1 1 A 39 39 ASP CB C 39 43.525 39.666 3.859 1
1 415 . 14 1 1 A 40 40 ARG H H 40 7.823 7.765 0.058 1
1 416 . 14 1 1 A 40 40 ARG HA H 40 2.342 4.530 -2.188 1
1 423 . 14 1 1 A 40 40 ARG CA C 40 57.183 54.975 2.208 1
1 424 . 14 1 1 A 40 40 ARG CB C 40 29.300 30.654 -1.354 1
1 427 . 14 1 1 A 40 40 ARG N N 40 119.412 119.543 -0.131 1
1 428 . 14 1 1 A 41 41 ASN H H 41 7.601 8.153 -0.552 1
1 429 . 14 1 1 A 41 41 ASN HA H 41 4.408 4.069 0.339 1
1 434 . 14 1 1 A 41 41 ASN C C 41 174.584 174.037 0.547 1
1 435 . 14 1 1 A 41 41 ASN CA C 41 53.396 53.975 -0.579 1
1 436 . 14 1 1 A 41 41 ASN CB C 41 37.847 36.919 0.928 1
1 437 . 14 1 1 A 41 41 ASN N N 41 114.895 118.797 -3.902 1
1 439 . 14 1 1 A 42 42 ARG H H 42 7.927 7.953 -0.026 1
1 440 . 14 1 1 A 42 42 ARG HA H 42 3.271 3.315 -0.044 1
1 446 . 14 1 1 A 42 42 ARG CA C 42 57.164 56.719 0.445 1
1 449 . 14 1 1 A 42 42 ARG N N 42 115.263 111.344 3.919 1
1 450 . 14 1 1 A 43 43 SER H H 43 9.112 8.026 1.086 1
1 451 . 14 1 1 A 43 43 SER HA H 43 4.444 4.496 -0.052 1
1 454 . 14 1 1 A 43 43 SER CA C 43 59.742 60.864 -1.122 1
1 455 . 14 1 1 A 43 43 SER CB C 43 64.693 64.191 0.502 1
1 456 . 14 1 1 A 43 43 SER N N 43 115.094 113.032 2.062 1
1 457 . 14 1 1 A 44 44 LYS H H 44 8.543 7.748 0.795 1
1 458 . 14 1 1 A 44 44 LYS HA H 44 4.784 4.679 0.105 1
1 464 . 14 1 1 A 44 44 LYS C C 44 175.723 175.582 0.141 1
1 465 . 14 1 1 A 44 44 LYS CA C 44 55.091 55.146 -0.055 1
1 466 . 14 1 1 A 44 44 LYS CB C 44 34.642 33.887 0.755 1
1 470 . 14 1 1 A 45 45 VAL H H 45 8.965 8.885 0.080 1
1 471 . 14 1 1 A 45 45 VAL HA H 45 4.043 3.895 0.148 1
1 479 . 14 1 1 A 45 45 VAL C C 45 176.656 175.886 0.770 1
1 480 . 14 1 1 A 45 45 VAL CA C 45 63.883 63.273 0.610 1
1 481 . 14 1 1 A 45 45 VAL CB C 45 32.621 31.349 1.272 1
1 484 . 14 1 1 A 45 45 VAL N N 45 127.663 127.544 0.119 1
1 485 . 14 1 1 A 46 46 ALA H H 46 9.214 8.506 0.708 1
1 486 . 14 1 1 A 46 46 ALA HA H 46 4.523 4.096 0.427 1
1 490 . 14 1 1 A 46 46 ALA C C 46 176.560 177.315 -0.755 1
1 491 . 14 1 1 A 46 46 ALA CA C 46 52.610 54.392 -1.782 1
1 492 . 14 1 1 A 46 46 ALA CB C 46 20.929 19.426 1.503 1
1 493 . 14 1 1 A 46 46 ALA N N 46 129.165 129.989 -0.824 1
1 494 . 14 1 1 A 47 47 GLN H H 47 7.504 7.608 -0.104 1
1 495 . 14 1 1 A 47 47 GLN HA H 47 4.494 4.522 -0.028 1
1 502 . 14 1 1 A 47 47 GLN C C 47 173.057 173.692 -0.635 1
1 503 . 14 1 1 A 47 47 GLN CA C 47 54.458 54.740 -0.282 1
1 504 . 14 1 1 A 47 47 GLN CB C 47 30.918 30.579 0.339 1
1 506 . 14 1 1 A 47 47 GLN N N 47 112.591 111.246 1.345 1
1 508 . 14 1 1 A 48 48 GLN H H 48 8.541 8.392 0.149 1
1 509 . 14 1 1 A 48 48 GLN HA H 48 4.420 4.175 0.245 1
1 516 . 14 1 1 A 48 48 GLN C C 48 172.864 174.607 -1.743 1
1 517 . 14 1 1 A 48 48 GLN CA C 48 54.774 54.164 0.610 1
1 518 . 14 1 1 A 48 48 GLN CB C 48 28.017 29.266 -1.249 1
1 520 . 14 1 1 A 48 48 GLN N N 48 120.933 120.834 0.099 1
1 522 . 14 1 1 A 49 49 PRO HA H 49 4.963 4.611 0.352 1
1 529 . 14 1 1 A 49 49 PRO C C 49 177.105 175.412 1.693 1
1 530 . 14 1 1 A 49 49 PRO CA C 49 63.010 62.299 0.711 1
1 531 . 14 1 1 A 49 49 PRO CB C 49 32.625 32.249 0.376 1
1 534 . 14 1 1 A 50 50 LEU H H 50 8.937 8.546 0.391 1
1 535 . 14 1 1 A 50 50 LEU HA H 50 4.742 5.033 -0.291 1
1 545 . 14 1 1 A 50 50 LEU C C 50 176.147 175.695 0.452 1
1 546 . 14 1 1 A 50 50 LEU CA C 50 53.120 53.251 -0.131 1
1 547 . 14 1 1 A 50 50 LEU CB C 50 45.352 45.049 0.303 1
1 551 . 14 1 1 A 50 50 LEU N N 50 121.454 121.713 -0.259 1
1 552 . 14 1 1 A 51 51 SER H H 51 8.771 8.530 0.241 1
1 553 . 14 1 1 A 51 51 SER HA H 51 3.434 3.712 -0.278 1
1 556 . 14 1 1 A 51 51 SER C C 51 175.081 174.635 0.446 1
1 557 . 14 1 1 A 51 51 SER CA C 51 57.936 56.701 1.235 1
1 558 . 14 1 1 A 51 51 SER CB C 51 62.378 62.212 0.166 1
1 559 . 14 1 1 A 51 51 SER N N 51 120.178 117.769 2.409 1
1 560 . 14 1 1 A 52 52 LEU H H 52 8.045 7.968 0.077 1
1 561 . 14 1 1 A 52 52 LEU HA H 52 4.443 3.952 0.491 1
1 571 . 14 1 1 A 52 52 LEU C C 52 177.916 177.762 0.154 1
1 572 . 14 1 1 A 52 52 LEU CA C 52 55.105 57.649 -2.544 1
1 573 . 14 1 1 A 52 52 LEU CB C 52 42.762 41.730 1.032 1
1 577 . 14 1 1 A 52 52 LEU N N 52 125.348 127.070 -1.722 1
1 578 . 14 1 1 A 53 53 VAL H H 53 7.418 7.191 0.227 1
1 579 . 14 1 1 A 53 53 VAL HA H 53 3.841 3.825 0.016 1
1 587 . 14 1 1 A 53 53 VAL C C 53 178.123 176.678 1.445 1
1 588 . 14 1 1 A 53 53 VAL CA C 53 64.893 63.861 1.032 1
1 589 . 14 1 1 A 53 53 VAL CB C 53 30.973 31.337 -0.364 1
1 592 . 14 1 1 A 53 53 VAL N N 53 119.590 118.566 1.024 1
1 593 . 14 1 1 A 54 54 GLY H H 54 9.187 8.871 0.316 1
1 594 . 14 1 1 A 54 54 GLY HA2 H 54 4.292 4.013 0.279 1
1 595 . 14 1 1 A 54 54 GLY HA3 H 54 3.934 4.188 -0.254 1
1 596 . 14 1 1 A 54 54 GLY C C 54 175.275 174.837 0.438 1
1 597 . 14 1 1 A 54 54 GLY CA C 54 45.906 45.035 0.871 1
1 598 . 14 1 1 A 54 54 GLY N N 54 115.764 115.869 -0.105 1
1 599 . 14 1 1 A 55 55 CYS H H 55 7.871 8.032 -0.161 1
1 600 . 14 1 1 A 55 55 CYS HA H 55 5.052 4.619 0.433 1
1 603 . 14 1 1 A 55 55 CYS C C 55 174.112 173.567 0.545 1
1 604 . 14 1 1 A 55 55 CYS CA C 55 60.352 59.661 0.691 1
1 605 . 14 1 1 A 55 55 CYS CB C 55 28.779 29.165 -0.386 1
1 606 . 14 1 1 A 55 55 CYS N N 55 117.748 120.366 -2.618 1
1 607 . 14 1 1 A 56 56 GLU H H 56 9.140 8.894 0.246 1
1 608 . 14 1 1 A 56 56 GLU HA H 56 4.672 4.868 -0.196 1
1 612 . 14 1 1 A 56 56 GLU C C 56 175.105 174.616 0.489 1
1 613 . 14 1 1 A 56 56 GLU CA C 56 55.179 55.415 -0.236 1
1 614 . 14 1 1 A 56 56 GLU CB C 56 33.097 33.400 -0.303 1
1 616 . 14 1 1 A 56 56 GLU N N 56 120.179 122.470 -2.291 1
1 617 . 14 1 1 A 57 57 VAL H H 57 8.385 8.895 -0.510 1
1 618 . 14 1 1 A 57 57 VAL HA H 57 5.238 4.787 0.451 1
1 626 . 14 1 1 A 57 57 VAL C C 57 175.238 175.757 -0.519 1
1 627 . 14 1 1 A 57 57 VAL CA C 57 61.064 62.276 -1.212 1
1 628 . 14 1 1 A 57 57 VAL CB C 57 33.429 31.940 1.489 1
1 631 . 14 1 1 A 57 57 VAL N N 57 122.535 127.693 -5.158 1
1 632 . 14 1 1 A 58 58 VAL H H 58 8.884 9.204 -0.320 1
1 633 . 14 1 1 A 58 58 VAL HA H 58 5.053 4.917 0.136 1
1 641 . 14 1 1 A 58 58 VAL C C 58 174.027 173.266 0.761 1
1 642 . 14 1 1 A 58 58 VAL CA C 58 57.977 57.884 0.093 1
1 643 . 14 1 1 A 58 58 VAL CB C 58 35.583 34.457 1.126 1
1 646 . 14 1 1 A 58 58 VAL N N 58 122.081 121.974 0.107 1
1 647 . 14 1 1 A 59 59 PRO HA H 59 4.573 4.918 -0.345 1
1 654 . 14 1 1 A 59 59 PRO C C 59 175.457 175.164 0.293 1
1 655 . 14 1 1 A 59 59 PRO CA C 59 63.643 62.387 1.256 1
1 656 . 14 1 1 A 59 59 PRO CB C 59 32.915 29.971 2.944 1
1 659 . 14 1 1 A 60 60 ASP H H 60 8.989 8.365 0.624 1
1 660 . 14 1 1 A 60 60 ASP HA H 60 5.179 5.325 -0.146 1
1 663 . 14 1 1 A 60 60 ASP C C 60 172.742 174.216 -1.474 1
1 664 . 14 1 1 A 60 60 ASP CA C 60 52.698 50.919 1.779 1
1 665 . 14 1 1 A 60 60 ASP CB C 60 43.314 41.417 1.897 1
1 666 . 14 1 1 A 60 60 ASP N N 60 122.718 123.852 -1.134 1
1 667 . 14 1 1 A 61 61 PRO HA H 61 4.681 5.055 -0.374 1
1 674 . 14 1 1 A 61 61 PRO C C 61 177.420 176.010 1.410 1
1 675 . 14 1 1 A 61 61 PRO CA C 61 63.594 62.402 1.192 1
1 676 . 14 1 1 A 61 61 PRO CB C 61 32.950 33.059 -0.109 1
1 679 . 14 1 1 A 62 62 SER H H 62 7.803 8.309 -0.506 1
1 680 . 14 1 1 A 62 62 SER HA H 62 4.797 4.829 -0.032 1
1 683 . 14 1 1 A 62 62 SER C C 62 174.851 174.064 0.787 1
1 684 . 14 1 1 A 62 62 SER CA C 62 56.896 55.646 1.250 1
1 685 . 14 1 1 A 62 62 SER CB C 62 63.959 65.802 -1.843 1
1 686 . 14 1 1 A 62 62 SER N N 62 115.582 113.773 1.809 1
1 687 . 14 1 1 A 63 63 PRO HA H 63 4.089 4.456 -0.367 1
1 694 . 14 1 1 A 63 63 PRO C C 63 177.105 175.965 1.140 1
1 695 . 14 1 1 A 63 63 PRO CA C 63 66.024 64.054 1.970 1
1 696 . 14 1 1 A 63 63 PRO CB C 63 31.763 31.452 0.311 1
1 699 . 14 1 1 A 64 64 ASP H H 64 8.361 8.105 0.256 1
1 700 . 14 1 1 A 64 64 ASP HA H 64 4.290 4.527 -0.237 1
1 703 . 14 1 1 A 64 64 ASP C C 64 174.802 175.095 -0.293 1
1 704 . 14 1 1 A 64 64 ASP CA C 64 54.458 54.212 0.246 1
1 705 . 14 1 1 A 64 64 ASP CB C 64 40.481 42.700 -2.219 1
1 706 . 14 1 1 A 64 64 ASP N N 64 111.867 117.114 -5.247 1
1 707 . 14 1 1 A 65 65 HIS H H 65 7.781 7.169 0.612 1
1 708 . 14 1 1 A 65 65 HIS HA H 65 4.558 4.719 -0.161 1
1 713 . 14 1 1 A 65 65 HIS C C 65 174.972 174.578 0.394 1
1 714 . 14 1 1 A 65 65 HIS CA C 65 54.370 54.408 -0.038 1
1 715 . 14 1 1 A 65 65 HIS CB C 65 28.450 31.638 -3.188 1
1 718 . 14 1 1 A 65 65 HIS N N 65 120.793 116.150 4.643 1
1 719 . 14 1 1 A 66 66 LEU H H 66 8.206 8.190 0.016 1
1 720 . 14 1 1 A 66 66 LEU HA H 66 3.893 4.162 -0.269 1
1 730 . 14 1 1 A 66 66 LEU C C 66 178.826 176.327 2.499 1
1 731 . 14 1 1 A 66 66 LEU CA C 66 57.857 54.788 3.069 1
1 732 . 14 1 1 A 66 66 LEU CB C 66 42.245 41.165 1.080 1
1 736 . 14 1 1 A 66 66 LEU N N 66 124.390 125.211 -0.821 1
1 737 . 14 1 1 A 67 67 TYR H H 67 8.612 7.720 0.892 1
1 738 . 14 1 1 A 67 67 TYR HA H 67 5.417 4.931 0.486 1
1 745 . 14 1 1 A 67 67 TYR C C 67 176.403 174.999 1.404 1
1 746 . 14 1 1 A 67 67 TYR CA C 67 55.320 57.338 -2.018 1
1 747 . 14 1 1 A 67 67 TYR CB C 67 35.524 37.981 -2.457 1
1 752 . 14 1 1 A 67 67 TYR N N 67 118.042 118.365 -0.323 1
1 753 . 14 1 1 A 68 68 SER H H 68 6.652 7.667 -1.015 1
1 754 . 14 1 1 A 68 68 SER HA H 68 5.742 5.340 0.402 1
1 757 . 14 1 1 A 68 68 SER C C 68 174.827 173.814 1.013 1
1 758 . 14 1 1 A 68 68 SER CA C 68 56.147 56.635 -0.488 1
1 759 . 14 1 1 A 68 68 SER CB C 68 65.504 64.990 0.514 1
1 760 . 14 1 1 A 68 68 SER N N 68 111.076 113.287 -2.211 1
1 761 . 14 1 1 A 69 69 PHE H H 69 9.089 8.412 0.677 1
1 762 . 14 1 1 A 69 69 PHE HA H 69 5.212 5.848 -0.636 1
1 770 . 14 1 1 A 69 69 PHE C C 69 171.676 172.897 -1.221 1
1 771 . 14 1 1 A 69 69 PHE CA C 69 55.918 55.092 0.826 1
1 772 . 14 1 1 A 69 69 PHE CB C 69 41.034 42.520 -1.486 1
1 778 . 14 1 1 A 69 69 PHE N N 69 121.539 118.675 2.864 1
1 779 . 14 1 1 A 70 70 ARG H H 70 9.299 9.047 0.252 1
1 780 . 14 1 1 A 70 70 ARG HA H 70 5.333 5.118 0.215 1
1 787 . 14 1 1 A 70 70 ARG C C 70 174.197 174.289 -0.092 1
1 788 . 14 1 1 A 70 70 ARG CA C 70 54.198 54.292 -0.094 1
1 789 . 14 1 1 A 70 70 ARG CB C 70 35.236 34.142 1.094 1
1 792 . 14 1 1 A 70 70 ARG N N 70 117.458 118.340 -0.882 1
1 794 . 14 1 1 A 71 71 ILE H H 71 8.505 8.686 -0.181 1
1 795 . 14 1 1 A 71 71 ILE HA H 71 4.974 5.245 -0.271 1
1 805 . 14 1 1 A 71 71 ILE C C 71 174.996 175.108 -0.112 1
1 806 . 14 1 1 A 71 71 ILE CA C 71 60.622 59.767 0.855 1
1 807 . 14 1 1 A 71 71 ILE CB C 71 39.636 40.843 -1.207 1
1 811 . 14 1 1 A 71 71 ILE N N 71 119.757 123.139 -3.382 1
1 812 . 14 1 1 A 72 72 LEU H H 72 9.488 9.259 0.229 1
1 813 . 14 1 1 A 72 72 LEU HA H 72 5.473 5.485 -0.012 1
1 823 . 14 1 1 A 72 72 LEU C C 72 176.172 175.074 1.098 1
1 824 . 14 1 1 A 72 72 LEU CA C 72 53.507 54.114 -0.607 1
1 825 . 14 1 1 A 72 72 LEU CB C 72 46.393 46.282 0.111 1
1 829 . 14 1 1 A 72 72 LEU N N 72 128.277 125.209 3.068 1
1 830 . 14 1 1 A 73 73 HIS H H 73 9.087 9.109 -0.022 1
1 831 . 14 1 1 A 73 73 HIS HA H 73 4.888 4.947 -0.059 1
1 836 . 14 1 1 A 73 73 HIS C C 73 175.118 174.345 0.773 1
1 837 . 14 1 1 A 73 73 HIS CA C 73 56.675 55.294 1.381 1
1 838 . 14 1 1 A 73 73 HIS CB C 73 32.933 31.748 1.185 1
1 841 . 14 1 1 A 73 73 HIS N N 73 119.084 123.356 -4.272 1
1 842 . 14 1 1 A 74 74 LYS H H 74 9.551 9.555 -0.004 1
1 843 . 14 1 1 A 74 74 LYS HA H 74 3.763 3.802 -0.039 1
1 852 . 14 1 1 A 74 74 LYS C C 74 176.851 176.792 0.059 1
1 853 . 14 1 1 A 74 74 LYS CA C 74 56.969 57.432 -0.463 1
1 854 . 14 1 1 A 74 74 LYS CB C 74 29.766 30.042 -0.276 1
1 858 . 14 1 1 A 74 74 LYS N N 74 128.764 127.715 1.049 1
1 859 . 14 1 1 A 75 75 GLY H H 75 8.877 8.521 0.356 1
1 860 . 14 1 1 A 75 75 GLY HA2 H 75 3.523 3.867 -0.344 1
1 861 . 14 1 1 A 75 75 GLY HA3 H 75 4.213 3.869 0.344 1
1 862 . 14 1 1 A 75 75 GLY C C 75 173.566 173.924 -0.358 1
1 863 . 14 1 1 A 75 75 GLY CA C 75 45.346 45.253 0.093 1
1 864 . 14 1 1 A 75 75 GLY N N 75 104.552 104.826 -0.274 1
1 865 . 14 1 1 A 76 76 GLU H H 76 7.922 7.872 0.050 1
1 866 . 14 1 1 A 76 76 GLU HA H 76 4.491 4.604 -0.113 1
1 871 . 14 1 1 A 76 76 GLU C C 76 175.651 175.538 0.113 1
1 872 . 14 1 1 A 76 76 GLU CA C 76 54.721 55.271 -0.550 1
1 873 . 14 1 1 A 76 76 GLU CB C 76 31.187 31.047 0.140 1
1 875 . 14 1 1 A 76 76 GLU N N 76 121.492 120.346 1.146 1
1 876 . 14 1 1 A 77 77 GLU H H 77 8.925 8.675 0.250 1
1 877 . 14 1 1 A 77 77 GLU HA H 77 4.309 4.513 -0.204 1
1 881 . 14 1 1 A 77 77 GLU C C 77 175.857 175.627 0.230 1
1 882 . 14 1 1 A 77 77 GLU CA C 77 57.412 56.613 0.799 1
1 883 . 14 1 1 A 77 77 GLU CB C 77 31.146 29.680 1.466 1
1 885 . 14 1 1 A 77 77 GLU N N 77 125.541 122.572 2.969 1
1 886 . 14 1 1 A 78 78 LEU H H 78 9.475 8.906 0.569 1
1 887 . 14 1 1 A 78 78 LEU HA H 78 4.513 4.431 0.082 1
1 897 . 14 1 1 A 78 78 LEU C C 78 177.541 176.631 0.910 1
1 898 . 14 1 1 A 78 78 LEU CA C 78 55.443 56.066 -0.623 1
1 899 . 14 1 1 A 78 78 LEU CB C 78 43.776 42.887 0.889 1
1 903 . 14 1 1 A 78 78 LEU N N 78 128.715 128.156 0.559 1
1 904 . 14 1 1 A 79 79 ALA H H 79 7.550 7.461 0.089 1
1 905 . 14 1 1 A 79 79 ALA HA H 79 4.503 4.566 -0.063 1
1 909 . 14 1 1 A 79 79 ALA C C 79 174.342 175.227 -0.885 1
1 910 . 14 1 1 A 79 79 ALA CA C 79 51.906 51.588 0.318 1
1 911 . 14 1 1 A 79 79 ALA CB C 79 22.017 22.255 -0.238 1
1 912 . 14 1 1 A 79 79 ALA N N 79 116.317 116.382 -0.065 1
1 913 . 14 1 1 A 80 80 LYS H H 80 8.743 8.680 0.063 1
1 914 . 14 1 1 A 80 80 LYS HA H 80 4.725 4.893 -0.168 1
1 923 . 14 1 1 A 80 80 LYS C C 80 172.973 174.614 -1.641 1
1 924 . 14 1 1 A 80 80 LYS CA C 80 56.604 55.087 1.517 1
1 925 . 14 1 1 A 80 80 LYS CB C 80 34.331 35.924 -1.593 1
1 929 . 14 1 1 A 80 80 LYS N N 80 123.623 119.635 3.988 1
1 930 . 14 1 1 A 81 81 LEU H H 81 8.504 9.007 -0.503 1
1 931 . 14 1 1 A 81 81 LEU HA H 81 5.531 5.322 0.209 1
1 941 . 14 1 1 A 81 81 LEU C C 81 176.366 175.222 1.144 1
1 942 . 14 1 1 A 81 81 LEU CA C 81 53.665 52.973 0.692 1
1 943 . 14 1 1 A 81 81 LEU CB C 81 45.969 45.212 0.757 1
1 947 . 14 1 1 A 81 81 LEU N N 81 124.594 127.843 -3.249 1
1 948 . 14 1 1 A 82 82 GLU H H 82 9.018 8.246 0.772 1
1 949 . 14 1 1 A 82 82 GLU HA H 82 4.826 4.592 0.234 1
1 954 . 14 1 1 A 82 82 GLU C C 82 174.439 175.482 -1.043 1
1 955 . 14 1 1 A 82 82 GLU CA C 82 56.376 54.583 1.793 1
1 956 . 14 1 1 A 82 82 GLU CB C 82 32.852 32.922 -0.070 1
1 958 . 14 1 1 A 82 82 GLU N N 82 118.819 121.205 -2.386 1
1 959 . 14 1 1 A 83 83 ALA H H 83 8.027 8.702 -0.675 1
1 960 . 14 1 1 A 83 83 ALA HA H 83 4.980 4.624 0.356 1
1 964 . 14 1 1 A 83 83 ALA C C 83 176.439 178.886 -2.447 1
1 965 . 14 1 1 A 83 83 ALA CA C 83 50.059 50.480 -0.421 1
1 966 . 14 1 1 A 83 83 ALA CB C 83 21.702 21.024 0.678 1
1 967 . 14 1 1 A 83 83 ALA N N 83 127.765 128.134 -0.369 1
1 968 . 14 1 1 A 84 84 LYS H H 84 9.017 8.590 0.427 1
1 969 . 14 1 1 A 84 84 LYS HA H 84 4.432 4.516 -0.084 1
1 977 . 14 1 1 A 84 84 LYS C C 84 175.930 176.314 -0.384 1
1 978 . 14 1 1 A 84 84 LYS CA C 84 56.956 56.849 0.107 1
1 979 . 14 1 1 A 84 84 LYS CB C 84 32.974 33.788 -0.814 1
1 983 . 14 1 1 A 84 84 LYS N N 84 115.456 116.621 -1.165 1
1 984 . 14 1 1 A 85 85 SER H H 85 7.324 7.693 -0.369 1
1 985 . 14 1 1 A 85 85 SER HA H 85 4.074 4.116 -0.042 1
1 988 . 14 1 1 A 85 85 SER C C 85 173.421 173.930 -0.509 1
1 989 . 14 1 1 A 85 85 SER CA C 85 56.038 55.640 0.398 1
1 990 . 14 1 1 A 85 85 SER CB C 85 66.506 65.006 1.500 1
1 991 . 14 1 1 A 85 85 SER N N 85 110.261 114.777 -4.516 1
1 992 . 14 1 1 A 86 86 SER H H 86 8.610 8.077 0.533 1
1 993 . 14 1 1 A 86 86 SER HA H 86 3.648 3.999 -0.351 1
1 996 . 14 1 1 A 86 86 SER C C 86 177.784 176.567 1.217 1
1 997 . 14 1 1 A 86 86 SER CA C 86 61.391 61.168 0.223 1
1 998 . 14 1 1 A 86 86 SER CB C 86 62.378 62.714 -0.336 1
1 999 . 14 1 1 A 86 86 SER N N 86 117.136 120.275 -3.139 1
1 1000 . 14 1 1 A 87 87 GLU H H 87 8.890 7.702 1.188 1
1 1001 . 14 1 1 A 87 87 GLU HA H 87 4.031 4.031 0.000 1
1 1006 . 14 1 1 A 87 87 GLU C C 87 179.492 179.137 0.355 1
1 1007 . 14 1 1 A 87 87 GLU CA C 87 59.983 59.387 0.596 1
1 1008 . 14 1 1 A 87 87 GLU CB C 87 28.969 29.608 -0.639 1
1 1010 . 14 1 1 A 87 87 GLU N N 87 123.189 121.672 1.517 1
1 1011 . 14 1 1 A 88 88 GLU H H 88 8.015 8.016 -0.001 1
1 1012 . 14 1 1 A 88 88 GLU HA H 88 4.243 4.138 0.105 1
1 1017 . 14 1 1 A 88 88 GLU C C 88 178.472 178.749 -0.277 1
1 1018 . 14 1 1 A 88 88 GLU CA C 88 59.642 59.404 0.238 1
1 1019 . 14 1 1 A 88 88 GLU CB C 88 31.016 29.192 1.824 1
1 1021 . 14 1 1 A 88 88 GLU N N 88 121.015 120.458 0.557 1
1 1022 . 14 1 1 A 89 89 MET H H 89 8.334 8.509 -0.175 1
1 1023 . 14 1 1 A 89 89 MET HA H 89 3.843 4.260 -0.417 1
1 1030 . 14 1 1 A 89 89 MET C C 89 177.396 178.662 -1.266 1
1 1031 . 14 1 1 A 89 89 MET CA C 89 60.458 58.137 2.321 1
1 1032 . 14 1 1 A 89 89 MET CB C 89 32.481 32.558 -0.077 1
1 1035 . 14 1 1 A 89 89 MET N N 89 119.764 119.126 0.638 1
1 1036 . 14 1 1 A 90 90 GLY H H 90 8.452 8.221 0.231 1
1 1037 . 14 1 1 A 90 90 GLY HA2 H 90 4.008 3.644 0.364 1
1 1038 . 14 1 1 A 90 90 GLY HA3 H 90 3.723 3.664 0.059 1
1 1039 . 14 1 1 A 90 90 GLY C C 90 176.814 175.667 1.147 1
1 1040 . 14 1 1 A 90 90 GLY CA C 90 47.489 46.975 0.514 1
1 1041 . 14 1 1 A 90 90 GLY N N 90 105.180 108.647 -3.467 1
1 1042 . 14 1 1 A 91 91 HIS H H 91 7.919 7.944 -0.025 1
1 1043 . 14 1 1 A 91 91 HIS HA H 91 4.329 4.195 0.134 1
1 1048 . 14 1 1 A 91 91 HIS C C 91 178.208 177.209 0.999 1
1 1049 . 14 1 1 A 91 91 HIS CA C 91 59.367 58.968 0.399 1
1 1050 . 14 1 1 A 91 91 HIS CB C 91 30.612 29.808 0.804 1
1 1053 . 14 1 1 A 91 91 HIS N N 91 121.929 121.306 0.623 1
1 1054 . 14 1 1 A 92 92 TRP H H 92 8.199 7.491 0.708 1
1 1055 . 14 1 1 A 92 92 TRP HA H 92 3.829 4.221 -0.392 1
1 1064 . 14 1 1 A 92 92 TRP C C 92 178.257 178.510 -0.253 1
1 1065 . 14 1 1 A 92 92 TRP CA C 92 62.464 59.931 2.533 1
1 1066 . 14 1 1 A 92 92 TRP CB C 92 29.190 29.845 -0.655 1
1 1072 . 14 1 1 A 92 92 TRP N N 92 120.070 118.551 1.519 1
1 1074 . 14 1 1 A 93 93 LEU H H 93 8.740 8.293 0.447 1
1 1075 . 14 1 1 A 93 93 LEU HA H 93 3.695 3.733 -0.038 1
1 1085 . 14 1 1 A 93 93 LEU C C 93 179.105 179.241 -0.136 1
1 1086 . 14 1 1 A 93 93 LEU CA C 93 59.076 58.230 0.846 1
1 1087 . 14 1 1 A 93 93 LEU CB C 93 40.993 41.625 -0.632 1
1 1091 . 14 1 1 A 93 93 LEU N N 93 119.445 120.233 -0.788 1
1 1092 . 14 1 1 A 94 94 GLY H H 94 7.616 8.054 -0.438 1
1 1093 . 14 1 1 A 94 94 GLY HA2 H 94 3.852 3.570 0.282 1
1 1094 . 14 1 1 A 94 94 GLY HA3 H 94 3.759 3.603 0.156 1
1 1095 . 14 1 1 A 94 94 GLY C C 94 176.693 175.387 1.306 1
1 1096 . 14 1 1 A 94 94 GLY CA C 94 47.120 47.273 -0.153 1
1 1097 . 14 1 1 A 94 94 GLY N N 94 102.951 105.277 -2.326 1
1 1098 . 14 1 1 A 95 95 LEU H H 95 7.853 7.625 0.228 1
1 1099 . 14 1 1 A 95 95 LEU HA H 95 4.024 3.795 0.229 1
1 1109 . 14 1 1 A 95 95 LEU C C 95 179.589 178.203 1.386 1
1 1110 . 14 1 1 A 95 95 LEU CA C 95 57.678 57.672 0.006 1
1 1111 . 14 1 1 A 95 95 LEU CB C 95 42.533 41.379 1.154 1
1 1115 . 14 1 1 A 95 95 LEU N N 95 123.479 122.733 0.746 1
1 1116 . 14 1 1 A 96 96 LEU H H 96 8.649 8.594 0.055 1
1 1117 . 14 1 1 A 96 96 LEU HA H 96 3.971 4.044 -0.073 1
1 1127 . 14 1 1 A 96 96 LEU C C 96 179.068 179.239 -0.171 1
1 1128 . 14 1 1 A 96 96 LEU CA C 96 57.906 58.166 -0.260 1
1 1129 . 14 1 1 A 96 96 LEU CB C 96 42.104 41.616 0.488 1
1 1133 . 14 1 1 A 96 96 LEU N N 96 118.046 118.565 -0.519 1
1 1134 . 14 1 1 A 97 97 LEU H H 97 8.198 8.106 0.092 1
1 1135 . 14 1 1 A 97 97 LEU HA H 97 4.234 4.086 0.148 1
1 1145 . 14 1 1 A 97 97 LEU C C 97 180.177 178.742 1.435 1
1 1146 . 14 1 1 A 97 97 LEU CA C 97 57.361 58.054 -0.693 1
1 1147 . 14 1 1 A 97 97 LEU CB C 97 41.611 41.551 0.060 1
1 1151 . 14 1 1 A 97 97 LEU N N 97 118.670 119.286 -0.616 1
1 1152 . 14 1 1 A 98 98 SER H H 98 7.818 8.583 -0.765 1
1 1153 . 14 1 1 A 98 98 SER HA H 98 4.328 4.128 0.200 1
1 1156 . 14 1 1 A 98 98 SER C C 98 176.863 177.305 -0.442 1
1 1157 . 14 1 1 A 98 98 SER CA C 98 61.004 61.268 -0.264 1
1 1158 . 14 1 1 A 98 98 SER CB C 98 63.322 62.313 1.009 1
1 1159 . 14 1 1 A 98 98 SER N N 98 115.679 112.788 2.891 1
1 1160 . 14 1 1 A 99 99 GLU H H 99 8.003 7.765 0.238 1
1 1161 . 14 1 1 A 99 99 GLU HA H 99 4.193 4.215 -0.022 1
1 1166 . 14 1 1 A 99 99 GLU C C 99 177.226 176.995 0.231 1
1 1167 . 14 1 1 A 99 99 GLU CA C 99 57.449 59.231 -1.782 1
1 1168 . 14 1 1 A 99 99 GLU CB C 99 30.260 29.803 0.457 1
1 1170 . 14 1 1 A 99 99 GLU N N 99 120.518 121.773 -1.255 1
1 1171 . 14 1 1 A 100 100 SER H H 100 7.892 8.178 -0.286 1
1 1172 . 14 1 1 A 100 100 SER HA H 100 4.582 4.486 0.096 1
1 1175 . 14 1 1 A 100 100 SER C C 100 175.881 174.410 1.471 1
1 1176 . 14 1 1 A 100 100 SER CA C 100 59.561 58.564 0.997 1
1 1177 . 14 1 1 A 100 100 SER CB C 100 64.188 62.713 1.475 1
1 1178 . 14 1 1 A 100 100 SER N N 100 113.686 111.001 2.685 1
1 1179 . 14 1 1 A 101 101 GLY H H 101 7.861 7.833 0.028 1
1 1180 . 14 1 1 A 101 101 GLY HA2 H 101 4.114 4.109 0.005 1
1 1181 . 14 1 1 A 101 101 GLY HA3 H 101 4.063 4.111 -0.048 1
1 1182 . 14 1 1 A 101 101 GLY C C 101 174.076 172.224 1.852 1
1 1183 . 14 1 1 A 101 101 GLY CA C 101 45.501 45.878 -0.377 1
1 1184 . 14 1 1 A 101 101 GLY N N 101 109.148 111.524 -2.376 1
1 1185 . 14 1 1 A 102 102 SER H H 102 8.260 8.819 -0.559 1
1 1186 . 14 1 1 A 102 102 SER HA H 102 4.543 4.600 -0.057 1
1 1189 . 14 1 1 A 102 102 SER C C 102 174.851 174.606 0.245 1
1 1190 . 14 1 1 A 102 102 SER CA C 102 58.646 59.042 -0.396 1
1 1191 . 14 1 1 A 102 102 SER CB C 102 64.211 63.276 0.935 1
1 1192 . 14 1 1 A 102 102 SER N N 102 116.298 119.694 -3.396 1
1 1193 . 14 1 1 A 103 103 GLY H H 103 8.252 8.457 -0.205 1
1 1194 . 14 1 1 A 103 103 GLY HA2 H 103 4.173 4.091 0.082 1
1 1195 . 14 1 1 A 103 103 GLY HA3 H 103 4.074 4.093 -0.019 1
1 1196 . 14 1 1 A 103 103 GLY C C 103 171.773 173.550 -1.777 1
1 1197 . 14 1 1 A 103 103 GLY CA C 103 44.777 44.138 0.639 1
1 1198 . 14 1 1 A 103 103 GLY N N 103 110.162 116.225 -6.063 1
1 1199 . 14 1 1 A 104 104 PRO HA H 104 4.515 4.564 -0.049 1
1 1206 . 14 1 1 A 104 104 PRO CA C 104 63.224 62.534 0.690 1
1 1207 . 14 1 1 A 104 104 PRO CB C 104 32.174 32.814 -0.640 1
1 1210 . 14 1 1 A 105 105 SER H H 105 8.559 8.792 -0.233 1
1 1211 . 14 1 1 A 105 105 SER CA C 105 60.998 60.671 0.327 1
1 1212 . 14 1 1 A 105 105 SER CB C 105 63.768 64.459 -0.691 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.952 4.042 -0.090 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.952 4.133 -0.181 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.197 173.825 0.372 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.378 45.418 -0.040 1
1 5 . 15 1 1 A 8 8 LEU H H 8 8.030 7.776 0.254 1
1 6 . 15 1 1 A 8 8 LEU HA H 8 4.321 4.698 -0.377 1
1 16 . 15 1 1 A 8 8 LEU C C 8 177.468 176.894 0.574 1
1 17 . 15 1 1 A 8 8 LEU CA C 8 55.320 52.495 2.825 1
1 18 . 15 1 1 A 8 8 LEU CB C 8 42.556 43.518 -0.962 1
1 22 . 15 1 1 A 8 8 LEU N N 8 121.494 116.770 4.724 1
1 23 . 15 1 1 A 9 9 GLU H H 9 8.577 8.873 -0.296 1
1 24 . 15 1 1 A 9 9 GLU HA H 9 4.454 4.254 0.200 1
1 29 . 15 1 1 A 9 9 GLU C C 9 177.056 175.535 1.521 1
1 30 . 15 1 1 A 9 9 GLU CA C 9 56.956 58.630 -1.674 1
1 31 . 15 1 1 A 9 9 GLU CB C 9 30.237 30.505 -0.268 1
1 33 . 15 1 1 A 9 9 GLU N N 9 121.449 119.182 2.267 1
1 34 . 15 1 1 A 10 10 THR H H 10 8.189 7.654 0.535 1
1 35 . 15 1 1 A 10 10 THR HA H 10 4.323 4.517 -0.194 1
1 40 . 15 1 1 A 10 10 THR CA C 10 62.062 60.739 1.323 1
1 41 . 15 1 1 A 10 10 THR CB C 10 69.441 72.452 -3.011 1
1 43 . 15 1 1 A 10 10 THR N N 10 113.730 110.149 3.581 1
1 44 . 15 1 1 A 11 11 SER H H 11 7.883 8.810 -0.927 1
1 45 . 15 1 1 A 11 11 SER HA H 11 5.249 4.539 0.710 1
1 48 . 15 1 1 A 11 11 SER CA C 11 57.852 59.143 -1.291 1
1 49 . 15 1 1 A 11 11 SER CB C 11 65.426 61.546 3.880 1
1 50 . 15 1 1 A 12 12 SER H H 12 8.413 8.079 0.334 1
1 51 . 15 1 1 A 12 12 SER HA H 12 4.467 4.611 -0.144 1
1 54 . 15 1 1 A 12 12 SER CA C 12 58.741 57.449 1.292 1
1 55 . 15 1 1 A 12 12 SER CB C 12 65.239 65.387 -0.148 1
1 56 . 15 1 1 A 12 12 SER N N 12 116.995 115.975 1.020 1
1 57 . 15 1 1 A 13 13 TYR H H 13 8.156 8.356 -0.200 1
1 58 . 15 1 1 A 13 13 TYR HA H 13 4.936 4.171 0.765 1
1 65 . 15 1 1 A 13 13 TYR CA C 13 58.533 59.451 -0.918 1
1 68 . 15 1 1 A 13 13 TYR N N 13 121.972 123.494 -1.522 1
1 69 . 15 1 1 A 14 14 LEU H H 14 8.803 8.275 0.528 1
1 70 . 15 1 1 A 14 14 LEU HA H 14 4.573 4.870 -0.297 1
1 80 . 15 1 1 A 14 14 LEU C C 14 175.845 175.692 0.153 1
1 81 . 15 1 1 A 14 14 LEU CA C 14 54.141 53.242 0.899 1
1 82 . 15 1 1 A 14 14 LEU CB C 14 46.603 44.160 2.443 1
1 86 . 15 1 1 A 14 14 LEU N N 14 123.967 125.816 -1.849 1
1 87 . 15 1 1 A 15 15 ASN H H 15 8.090 8.677 -0.587 1
1 88 . 15 1 1 A 15 15 ASN HA H 15 5.669 5.318 0.351 1
1 93 . 15 1 1 A 15 15 ASN C C 15 174.972 174.391 0.581 1
1 94 . 15 1 1 A 15 15 ASN CA C 15 51.589 52.364 -0.775 1
1 95 . 15 1 1 A 15 15 ASN CB C 15 40.317 39.299 1.018 1
1 96 . 15 1 1 A 15 15 ASN N N 15 117.248 119.449 -2.201 1
1 98 . 15 1 1 A 16 16 VAL H H 16 9.452 8.679 0.773 1
1 99 . 15 1 1 A 16 16 VAL HA H 16 4.743 4.618 0.125 1
1 107 . 15 1 1 A 16 16 VAL C C 16 174.269 176.307 -2.038 1
1 108 . 15 1 1 A 16 16 VAL CA C 16 60.574 61.789 -1.215 1
1 109 . 15 1 1 A 16 16 VAL CB C 16 35.194 32.419 2.775 1
1 112 . 15 1 1 A 16 16 VAL N N 16 122.909 125.316 -2.407 1
1 113 . 15 1 1 A 17 17 LEU H H 17 7.892 8.619 -0.727 1
1 114 . 15 1 1 A 17 17 LEU HA H 17 3.679 4.332 -0.653 1
1 124 . 15 1 1 A 17 17 LEU C C 17 175.747 175.954 -0.207 1
1 125 . 15 1 1 A 17 17 LEU CA C 17 54.493 56.148 -1.655 1
1 126 . 15 1 1 A 17 17 LEU CB C 17 40.541 41.608 -1.067 1
1 130 . 15 1 1 A 17 17 LEU N N 17 130.093 130.143 -0.050 1
1 131 . 15 1 1 A 18 18 VAL H H 18 8.923 8.669 0.254 1
1 132 . 15 1 1 A 18 18 VAL HA H 18 4.053 4.034 0.019 1
1 140 . 15 1 1 A 18 18 VAL C C 18 175.869 175.403 0.466 1
1 141 . 15 1 1 A 18 18 VAL CA C 18 61.285 63.605 -2.320 1
1 142 . 15 1 1 A 18 18 VAL CB C 18 33.609 32.652 0.957 1
1 145 . 15 1 1 A 18 18 VAL N N 18 130.417 125.908 4.509 1
1 146 . 15 1 1 A 19 19 ASN H H 19 9.323 8.066 1.257 1
1 147 . 15 1 1 A 19 19 ASN HA H 19 4.232 4.891 -0.659 1
1 152 . 15 1 1 A 19 19 ASN C C 19 174.948 174.677 0.271 1
1 153 . 15 1 1 A 19 19 ASN CA C 19 54.809 51.709 3.100 1
1 154 . 15 1 1 A 19 19 ASN CB C 19 37.192 38.065 -0.873 1
1 155 . 15 1 1 A 19 19 ASN N N 19 127.579 118.829 8.750 1
1 157 . 15 1 1 A 20 20 SER H H 20 8.464 8.114 0.350 1
1 158 . 15 1 1 A 20 20 SER HA H 20 3.653 3.957 -0.304 1
1 161 . 15 1 1 A 20 20 SER C C 20 172.645 172.944 -0.299 1
1 162 . 15 1 1 A 20 20 SER CA C 20 60.458 59.821 0.637 1
1 163 . 15 1 1 A 20 20 SER CB C 20 62.584 61.320 1.264 1
1 164 . 15 1 1 A 20 20 SER N N 20 106.869 113.829 -6.960 1
1 165 . 15 1 1 A 21 21 GLN H H 21 7.695 7.354 0.341 1
1 166 . 15 1 1 A 21 21 GLN HA H 21 4.591 4.754 -0.163 1
1 173 . 15 1 1 A 21 21 GLN C C 21 174.003 174.154 -0.151 1
1 174 . 15 1 1 A 21 21 GLN CA C 21 53.772 54.001 -0.229 1
1 175 . 15 1 1 A 21 21 GLN CB C 21 32.069 33.078 -1.009 1
1 177 . 15 1 1 A 21 21 GLN N N 21 120.372 118.358 2.014 1
1 179 . 15 1 1 A 22 22 TRP H H 22 8.743 8.728 0.015 1
1 180 . 15 1 1 A 22 22 TRP HA H 22 4.690 5.146 -0.456 1
1 189 . 15 1 1 A 22 22 TRP C C 22 176.863 175.497 1.366 1
1 190 . 15 1 1 A 22 22 TRP CA C 22 57.062 56.308 0.754 1
1 191 . 15 1 1 A 22 22 TRP CB C 22 29.323 30.195 -0.872 1
1 197 . 15 1 1 A 22 22 TRP N N 22 124.919 120.769 4.150 1
1 199 . 15 1 1 A 23 23 LYS H H 23 9.302 8.623 0.679 1
1 200 . 15 1 1 A 23 23 LYS HA H 23 4.798 4.754 0.044 1
1 208 . 15 1 1 A 23 23 LYS C C 23 176.050 176.051 -0.001 1
1 209 . 15 1 1 A 23 23 LYS CA C 23 54.106 54.410 -0.304 1
1 210 . 15 1 1 A 23 23 LYS CB C 23 35.583 34.322 1.261 1
1 214 . 15 1 1 A 23 23 LYS N N 23 124.474 125.506 -1.032 1
1 215 . 15 1 1 A 24 24 SER H H 24 8.740 8.837 -0.097 1
1 216 . 15 1 1 A 24 24 SER HA H 24 5.035 4.592 0.443 1
1 219 . 15 1 1 A 24 24 SER C C 24 175.905 173.631 2.274 1
1 220 . 15 1 1 A 24 24 SER CA C 24 58.857 58.381 0.476 1
1 221 . 15 1 1 A 24 24 SER CB C 24 63.489 62.891 0.598 1
1 222 . 15 1 1 A 24 24 SER N N 24 118.568 120.060 -1.492 1
1 223 . 15 1 1 A 25 25 ARG H H 25 9.302 8.304 0.998 1
1 224 . 15 1 1 A 25 25 ARG HA H 25 4.946 5.168 -0.222 1
1 231 . 15 1 1 A 25 25 ARG C C 25 173.724 174.923 -1.199 1
1 232 . 15 1 1 A 25 25 ARG CA C 25 54.440 54.459 -0.019 1
1 233 . 15 1 1 A 25 25 ARG CB C 25 34.825 34.062 0.763 1
1 236 . 15 1 1 A 25 25 ARG N N 25 126.895 128.725 -1.830 1
1 237 . 15 1 1 A 26 26 TRP H H 26 8.668 9.329 -0.661 1
1 238 . 15 1 1 A 26 26 TRP HA H 26 4.780 4.936 -0.156 1
1 247 . 15 1 1 A 26 26 TRP C C 26 175.796 175.560 0.236 1
1 248 . 15 1 1 A 26 26 TRP CA C 26 57.555 58.252 -0.697 1
1 249 . 15 1 1 A 26 26 TRP CB C 26 29.833 30.773 -0.940 1
1 255 . 15 1 1 A 26 26 TRP N N 26 123.493 127.402 -3.909 1
1 257 . 15 1 1 A 27 27 CYS H H 27 8.884 8.505 0.379 1
1 258 . 15 1 1 A 27 27 CYS HA H 27 5.668 5.424 0.244 1
1 261 . 15 1 1 A 27 27 CYS C C 27 174.560 173.218 1.342 1
1 262 . 15 1 1 A 27 27 CYS CA C 27 58.184 57.162 1.022 1
1 263 . 15 1 1 A 27 27 CYS CB C 27 31.516 30.994 0.522 1
1 264 . 15 1 1 A 27 27 CYS N N 27 124.947 125.250 -0.303 1
1 265 . 15 1 1 A 28 28 SER H H 28 8.566 8.497 0.069 1
1 266 . 15 1 1 A 28 28 SER HA H 28 5.240 5.268 -0.028 1
1 269 . 15 1 1 A 28 28 SER C C 28 173.106 172.993 0.113 1
1 270 . 15 1 1 A 28 28 SER CA C 28 57.027 56.995 0.032 1
1 271 . 15 1 1 A 28 28 SER CB C 28 66.738 65.737 1.001 1
1 272 . 15 1 1 A 28 28 SER N N 28 114.751 117.853 -3.102 1
1 273 . 15 1 1 A 29 29 VAL H H 29 8.843 9.003 -0.160 1
1 274 . 15 1 1 A 29 29 VAL HA H 29 5.302 4.920 0.382 1
1 282 . 15 1 1 A 29 29 VAL C C 29 175.905 175.216 0.689 1
1 283 . 15 1 1 A 29 29 VAL CA C 29 61.233 61.628 -0.395 1
1 284 . 15 1 1 A 29 29 VAL CB C 29 32.832 32.566 0.266 1
1 287 . 15 1 1 A 29 29 VAL N N 29 125.688 128.070 -2.382 1
1 288 . 15 1 1 A 30 30 ARG H H 30 8.964 8.844 0.120 1
1 289 . 15 1 1 A 30 30 ARG HA H 30 4.620 4.521 0.099 1
1 295 . 15 1 1 A 30 30 ARG C C 30 176.160 175.269 0.891 1
1 296 . 15 1 1 A 30 30 ARG CA C 30 55.901 56.362 -0.461 1
1 297 . 15 1 1 A 30 30 ARG CB C 30 33.198 33.055 0.143 1
1 300 . 15 1 1 A 30 30 ARG N N 30 125.513 125.715 -0.202 1
1 301 . 15 1 1 A 31 31 ASP H H 31 9.773 9.568 0.205 1
1 302 . 15 1 1 A 31 31 ASP HA H 31 4.451 4.363 0.088 1
1 305 . 15 1 1 A 31 31 ASP C C 31 177.008 175.207 1.801 1
1 306 . 15 1 1 A 31 31 ASP CA C 31 55.936 55.236 0.700 1
1 307 . 15 1 1 A 31 31 ASP CB C 31 39.659 39.739 -0.080 1
1 308 . 15 1 1 A 31 31 ASP N N 31 127.085 126.081 1.004 1
1 309 . 15 1 1 A 32 32 ASN H H 32 9.639 8.625 1.014 1
1 310 . 15 1 1 A 32 32 ASN HA H 32 4.535 4.351 0.184 1
1 315 . 15 1 1 A 32 32 ASN C C 32 172.766 173.789 -1.023 1
1 316 . 15 1 1 A 32 32 ASN CA C 32 55.549 54.784 0.765 1
1 317 . 15 1 1 A 32 32 ASN CB C 32 38.238 37.147 1.091 1
1 318 . 15 1 1 A 32 32 ASN N N 32 112.101 109.558 2.543 1
1 320 . 15 1 1 A 33 33 HIS H H 33 8.292 7.794 0.498 1
1 321 . 15 1 1 A 33 33 HIS HA H 33 5.368 5.566 -0.198 1
1 326 . 15 1 1 A 33 33 HIS C C 33 172.718 173.631 -0.913 1
1 327 . 15 1 1 A 33 33 HIS CA C 33 55.303 54.726 0.577 1
1 328 . 15 1 1 A 33 33 HIS CB C 33 32.851 34.118 -1.267 1
1 331 . 15 1 1 A 33 33 HIS N N 33 116.294 116.358 -0.064 1
1 332 . 15 1 1 A 34 34 LEU H H 34 8.987 8.838 0.149 1
1 333 . 15 1 1 A 34 34 LEU HA H 34 4.784 5.030 -0.246 1
1 342 . 15 1 1 A 34 34 LEU C C 34 173.240 175.224 -1.984 1
1 343 . 15 1 1 A 34 34 LEU CA C 34 53.719 53.629 0.090 1
1 344 . 15 1 1 A 34 34 LEU CB C 34 45.147 43.708 1.439 1
1 348 . 15 1 1 A 34 34 LEU N N 34 122.961 125.651 -2.690 1
1 349 . 15 1 1 A 35 35 HIS H H 35 9.169 9.574 -0.405 1
1 350 . 15 1 1 A 35 35 HIS HA H 35 4.713 5.022 -0.309 1
1 355 . 15 1 1 A 35 35 HIS C C 35 174.778 174.951 -0.173 1
1 356 . 15 1 1 A 35 35 HIS CA C 35 55.284 56.180 -0.896 1
1 357 . 15 1 1 A 35 35 HIS CB C 35 34.455 31.702 2.753 1
1 360 . 15 1 1 A 35 35 HIS N N 35 125.201 126.065 -0.864 1
1 361 . 15 1 1 A 36 36 PHE H H 36 9.522 8.927 0.595 1
1 362 . 15 1 1 A 36 36 PHE HA H 36 5.014 5.438 -0.424 1
1 370 . 15 1 1 A 36 36 PHE C C 36 174.911 174.257 0.654 1
1 371 . 15 1 1 A 36 36 PHE CA C 36 56.217 56.458 -0.241 1
1 372 . 15 1 1 A 36 36 PHE CB C 36 43.666 42.339 1.327 1
1 378 . 15 1 1 A 36 36 PHE N N 36 118.294 118.448 -0.154 1
1 379 . 15 1 1 A 37 37 TYR H H 37 9.783 8.944 0.839 1
1 380 . 15 1 1 A 37 37 TYR HA H 37 5.453 4.993 0.460 1
1 387 . 15 1 1 A 37 37 TYR C C 37 176.475 176.133 0.342 1
1 388 . 15 1 1 A 37 37 TYR CA C 37 57.185 56.779 0.406 1
1 389 . 15 1 1 A 37 37 TYR CB C 37 41.569 43.215 -1.646 1
1 394 . 15 1 1 A 37 37 TYR N N 37 121.241 121.062 0.179 1
1 395 . 15 1 1 A 38 38 GLN H H 38 9.233 8.969 0.264 1
1 396 . 15 1 1 A 38 38 GLN HA H 38 4.480 4.593 -0.113 1
1 403 . 15 1 1 A 38 38 GLN C C 38 175.408 175.846 -0.438 1
1 404 . 15 1 1 A 38 38 GLN CA C 38 57.977 57.606 0.371 1
1 405 . 15 1 1 A 38 38 GLN CB C 38 29.825 30.534 -0.709 1
1 407 . 15 1 1 A 38 38 GLN N N 38 119.348 120.255 -0.907 1
1 409 . 15 1 1 A 39 39 ASP H H 39 8.674 7.961 0.713 1
1 410 . 15 1 1 A 39 39 ASP HA H 39 4.849 5.191 -0.342 1
1 413 . 15 1 1 A 39 39 ASP CA C 39 52.402 53.162 -0.760 1
1 414 . 15 1 1 A 39 39 ASP CB C 39 43.525 44.436 -0.911 1
1 415 . 15 1 1 A 40 40 ARG H H 40 7.823 8.992 -1.169 1
1 416 . 15 1 1 A 40 40 ARG HA H 40 2.342 2.253 0.089 1
1 423 . 15 1 1 A 40 40 ARG CA C 40 57.183 58.434 -1.251 1
1 424 . 15 1 1 A 40 40 ARG CB C 40 29.300 29.571 -0.271 1
1 427 . 15 1 1 A 40 40 ARG N N 40 119.412 121.111 -1.699 1
1 428 . 15 1 1 A 41 41 ASN H H 41 7.601 8.185 -0.584 1
1 429 . 15 1 1 A 41 41 ASN HA H 41 4.408 4.539 -0.131 1
1 434 . 15 1 1 A 41 41 ASN C C 41 174.584 175.148 -0.564 1
1 435 . 15 1 1 A 41 41 ASN CA C 41 53.396 52.775 0.621 1
1 436 . 15 1 1 A 41 41 ASN CB C 41 37.847 37.239 0.608 1
1 437 . 15 1 1 A 41 41 ASN N N 41 114.895 115.100 -0.205 1
1 439 . 15 1 1 A 42 42 ARG H H 42 7.927 8.005 -0.078 1
1 440 . 15 1 1 A 42 42 ARG HA H 42 3.271 4.091 -0.820 1
1 446 . 15 1 1 A 42 42 ARG CA C 42 57.164 57.013 0.151 1
1 449 . 15 1 1 A 42 42 ARG N N 42 115.263 125.059 -9.796 1
1 450 . 15 1 1 A 43 43 SER H H 43 9.112 8.994 0.118 1
1 451 . 15 1 1 A 43 43 SER HA H 43 4.444 4.738 -0.294 1
1 454 . 15 1 1 A 43 43 SER CA C 43 59.742 59.197 0.545 1
1 455 . 15 1 1 A 43 43 SER CB C 43 64.693 66.002 -1.309 1
1 456 . 15 1 1 A 43 43 SER N N 43 115.094 120.329 -5.235 1
1 457 . 15 1 1 A 44 44 LYS H H 44 8.543 7.897 0.646 1
1 458 . 15 1 1 A 44 44 LYS HA H 44 4.784 4.501 0.283 1
1 464 . 15 1 1 A 44 44 LYS C C 44 175.723 175.527 0.196 1
1 465 . 15 1 1 A 44 44 LYS CA C 44 55.091 55.063 0.028 1
1 466 . 15 1 1 A 44 44 LYS CB C 44 34.642 33.327 1.315 1
1 470 . 15 1 1 A 45 45 VAL H H 45 8.965 8.452 0.513 1
1 471 . 15 1 1 A 45 45 VAL HA H 45 4.043 3.762 0.281 1
1 479 . 15 1 1 A 45 45 VAL C C 45 176.656 177.016 -0.360 1
1 480 . 15 1 1 A 45 45 VAL CA C 45 63.883 63.192 0.691 1
1 481 . 15 1 1 A 45 45 VAL CB C 45 32.621 31.230 1.391 1
1 484 . 15 1 1 A 45 45 VAL N N 45 127.663 125.270 2.393 1
1 485 . 15 1 1 A 46 46 ALA H H 46 9.214 8.626 0.588 1
1 486 . 15 1 1 A 46 46 ALA HA H 46 4.523 4.048 0.475 1
1 490 . 15 1 1 A 46 46 ALA C C 46 176.560 177.173 -0.613 1
1 491 . 15 1 1 A 46 46 ALA CA C 46 52.610 55.208 -2.598 1
1 492 . 15 1 1 A 46 46 ALA CB C 46 20.929 19.068 1.861 1
1 493 . 15 1 1 A 46 46 ALA N N 46 129.165 131.153 -1.988 1
1 494 . 15 1 1 A 47 47 GLN H H 47 7.504 7.509 -0.005 1
1 495 . 15 1 1 A 47 47 GLN HA H 47 4.494 4.522 -0.028 1
1 502 . 15 1 1 A 47 47 GLN C C 47 173.057 173.760 -0.703 1
1 503 . 15 1 1 A 47 47 GLN CA C 47 54.458 54.687 -0.229 1
1 504 . 15 1 1 A 47 47 GLN CB C 47 30.918 30.764 0.154 1
1 506 . 15 1 1 A 47 47 GLN N N 47 112.591 111.168 1.423 1
1 508 . 15 1 1 A 48 48 GLN H H 48 8.541 8.435 0.106 1
1 509 . 15 1 1 A 48 48 GLN HA H 48 4.420 4.197 0.223 1
1 516 . 15 1 1 A 48 48 GLN C C 48 172.864 174.667 -1.803 1
1 517 . 15 1 1 A 48 48 GLN CA C 48 54.774 54.067 0.707 1
1 518 . 15 1 1 A 48 48 GLN CB C 48 28.017 29.260 -1.243 1
1 520 . 15 1 1 A 48 48 GLN N N 48 120.933 121.955 -1.022 1
1 522 . 15 1 1 A 49 49 PRO HA H 49 4.963 4.701 0.262 1
1 529 . 15 1 1 A 49 49 PRO C C 49 177.105 175.456 1.649 1
1 530 . 15 1 1 A 49 49 PRO CA C 49 63.010 62.297 0.713 1
1 531 . 15 1 1 A 49 49 PRO CB C 49 32.625 32.343 0.282 1
1 534 . 15 1 1 A 50 50 LEU H H 50 8.937 8.687 0.250 1
1 535 . 15 1 1 A 50 50 LEU HA H 50 4.742 5.053 -0.311 1
1 545 . 15 1 1 A 50 50 LEU C C 50 176.147 175.620 0.527 1
1 546 . 15 1 1 A 50 50 LEU CA C 50 53.120 53.167 -0.047 1
1 547 . 15 1 1 A 50 50 LEU CB C 50 45.352 45.366 -0.014 1
1 551 . 15 1 1 A 50 50 LEU N N 50 121.454 121.911 -0.457 1
1 552 . 15 1 1 A 51 51 SER H H 51 8.771 8.477 0.294 1
1 553 . 15 1 1 A 51 51 SER HA H 51 3.434 3.630 -0.196 1
1 556 . 15 1 1 A 51 51 SER C C 51 175.081 174.420 0.661 1
1 557 . 15 1 1 A 51 51 SER CA C 51 57.936 56.277 1.659 1
1 558 . 15 1 1 A 51 51 SER CB C 51 62.378 62.789 -0.411 1
1 559 . 15 1 1 A 51 51 SER N N 51 120.178 116.449 3.729 1
1 560 . 15 1 1 A 52 52 LEU H H 52 8.045 8.030 0.015 1
1 561 . 15 1 1 A 52 52 LEU HA H 52 4.443 3.877 0.566 1
1 571 . 15 1 1 A 52 52 LEU C C 52 177.916 177.776 0.140 1
1 572 . 15 1 1 A 52 52 LEU CA C 52 55.105 58.045 -2.940 1
1 573 . 15 1 1 A 52 52 LEU CB C 52 42.762 41.520 1.242 1
1 577 . 15 1 1 A 52 52 LEU N N 52 125.348 127.010 -1.662 1
1 578 . 15 1 1 A 53 53 VAL H H 53 7.418 7.482 -0.064 1
1 579 . 15 1 1 A 53 53 VAL HA H 53 3.841 3.831 0.010 1
1 587 . 15 1 1 A 53 53 VAL C C 53 178.123 177.132 0.991 1
1 588 . 15 1 1 A 53 53 VAL CA C 53 64.893 65.081 -0.188 1
1 589 . 15 1 1 A 53 53 VAL CB C 53 30.973 31.123 -0.150 1
1 592 . 15 1 1 A 53 53 VAL N N 53 119.590 118.629 0.961 1
1 593 . 15 1 1 A 54 54 GLY H H 54 9.187 8.948 0.239 1
1 594 . 15 1 1 A 54 54 GLY HA2 H 54 4.292 4.034 0.258 1
1 595 . 15 1 1 A 54 54 GLY HA3 H 54 3.934 4.069 -0.135 1
1 596 . 15 1 1 A 54 54 GLY C C 54 175.275 174.829 0.446 1
1 597 . 15 1 1 A 54 54 GLY CA C 54 45.906 45.052 0.854 1
1 598 . 15 1 1 A 54 54 GLY N N 54 115.764 114.682 1.082 1
1 599 . 15 1 1 A 55 55 CYS H H 55 7.871 8.009 -0.138 1
1 600 . 15 1 1 A 55 55 CYS HA H 55 5.052 4.649 0.403 1
1 603 . 15 1 1 A 55 55 CYS C C 55 174.112 173.614 0.498 1
1 604 . 15 1 1 A 55 55 CYS CA C 55 60.352 59.508 0.844 1
1 605 . 15 1 1 A 55 55 CYS CB C 55 28.779 29.352 -0.573 1
1 606 . 15 1 1 A 55 55 CYS N N 55 117.748 120.342 -2.594 1
1 607 . 15 1 1 A 56 56 GLU H H 56 9.140 8.697 0.443 1
1 608 . 15 1 1 A 56 56 GLU HA H 56 4.672 4.814 -0.142 1
1 612 . 15 1 1 A 56 56 GLU C C 56 175.105 174.451 0.654 1
1 613 . 15 1 1 A 56 56 GLU CA C 56 55.179 55.450 -0.271 1
1 614 . 15 1 1 A 56 56 GLU CB C 56 33.097 33.495 -0.398 1
1 616 . 15 1 1 A 56 56 GLU N N 56 120.179 122.053 -1.874 1
1 617 . 15 1 1 A 57 57 VAL H H 57 8.385 8.864 -0.479 1
1 618 . 15 1 1 A 57 57 VAL HA H 57 5.238 4.706 0.532 1
1 626 . 15 1 1 A 57 57 VAL C C 57 175.238 175.763 -0.525 1
1 627 . 15 1 1 A 57 57 VAL CA C 57 61.064 62.352 -1.288 1
1 628 . 15 1 1 A 57 57 VAL CB C 57 33.429 31.759 1.670 1
1 631 . 15 1 1 A 57 57 VAL N N 57 122.535 127.686 -5.151 1
1 632 . 15 1 1 A 58 58 VAL H H 58 8.884 9.142 -0.258 1
1 633 . 15 1 1 A 58 58 VAL HA H 58 5.053 4.925 0.128 1
1 641 . 15 1 1 A 58 58 VAL C C 58 174.027 173.328 0.699 1
1 642 . 15 1 1 A 58 58 VAL CA C 58 57.977 57.914 0.063 1
1 643 . 15 1 1 A 58 58 VAL CB C 58 35.583 34.518 1.065 1
1 646 . 15 1 1 A 58 58 VAL N N 58 122.081 121.939 0.142 1
1 647 . 15 1 1 A 59 59 PRO HA H 59 4.573 4.915 -0.342 1
1 654 . 15 1 1 A 59 59 PRO C C 59 175.457 175.165 0.292 1
1 655 . 15 1 1 A 59 59 PRO CA C 59 63.643 62.329 1.314 1
1 656 . 15 1 1 A 59 59 PRO CB C 59 32.915 29.874 3.041 1
1 659 . 15 1 1 A 60 60 ASP H H 60 8.989 8.372 0.617 1
1 660 . 15 1 1 A 60 60 ASP HA H 60 5.179 5.328 -0.149 1
1 663 . 15 1 1 A 60 60 ASP C C 60 172.742 174.227 -1.485 1
1 664 . 15 1 1 A 60 60 ASP CA C 60 52.698 50.998 1.700 1
1 665 . 15 1 1 A 60 60 ASP CB C 60 43.314 41.346 1.968 1
1 666 . 15 1 1 A 60 60 ASP N N 60 122.718 123.858 -1.140 1
1 667 . 15 1 1 A 61 61 PRO HA H 61 4.681 5.070 -0.389 1
1 674 . 15 1 1 A 61 61 PRO C C 61 177.420 175.261 2.159 1
1 675 . 15 1 1 A 61 61 PRO CA C 61 63.594 62.395 1.199 1
1 676 . 15 1 1 A 61 61 PRO CB C 61 32.950 33.071 -0.121 1
1 679 . 15 1 1 A 62 62 SER H H 62 7.803 8.284 -0.481 1
1 680 . 15 1 1 A 62 62 SER HA H 62 4.797 4.985 -0.188 1
1 683 . 15 1 1 A 62 62 SER C C 62 174.851 174.538 0.313 1
1 684 . 15 1 1 A 62 62 SER CA C 62 56.896 56.454 0.442 1
1 685 . 15 1 1 A 62 62 SER CB C 62 63.959 66.217 -2.258 1
1 686 . 15 1 1 A 62 62 SER N N 62 115.582 114.656 0.926 1
1 687 . 15 1 1 A 63 63 PRO HA H 63 4.089 4.507 -0.418 1
1 694 . 15 1 1 A 63 63 PRO C C 63 177.105 176.116 0.989 1
1 695 . 15 1 1 A 63 63 PRO CA C 63 66.024 64.081 1.943 1
1 696 . 15 1 1 A 63 63 PRO CB C 63 31.763 31.452 0.311 1
1 699 . 15 1 1 A 64 64 ASP H H 64 8.361 8.262 0.099 1
1 700 . 15 1 1 A 64 64 ASP HA H 64 4.290 4.772 -0.482 1
1 703 . 15 1 1 A 64 64 ASP C C 64 174.802 175.375 -0.573 1
1 704 . 15 1 1 A 64 64 ASP CA C 64 54.458 54.345 0.113 1
1 705 . 15 1 1 A 64 64 ASP CB C 64 40.481 43.168 -2.687 1
1 706 . 15 1 1 A 64 64 ASP N N 64 111.867 117.331 -5.464 1
1 707 . 15 1 1 A 65 65 HIS H H 65 7.781 7.400 0.381 1
1 708 . 15 1 1 A 65 65 HIS HA H 65 4.558 4.642 -0.084 1
1 713 . 15 1 1 A 65 65 HIS C C 65 174.972 174.588 0.384 1
1 714 . 15 1 1 A 65 65 HIS CA C 65 54.370 54.452 -0.082 1
1 715 . 15 1 1 A 65 65 HIS CB C 65 28.450 32.071 -3.621 1
1 718 . 15 1 1 A 65 65 HIS N N 65 120.793 116.567 4.226 1
1 719 . 15 1 1 A 66 66 LEU H H 66 8.206 8.079 0.127 1
1 720 . 15 1 1 A 66 66 LEU HA H 66 3.893 4.232 -0.339 1
1 730 . 15 1 1 A 66 66 LEU C C 66 178.826 176.399 2.427 1
1 731 . 15 1 1 A 66 66 LEU CA C 66 57.857 54.381 3.476 1
1 732 . 15 1 1 A 66 66 LEU CB C 66 42.245 41.334 0.911 1
1 736 . 15 1 1 A 66 66 LEU N N 66 124.390 124.660 -0.270 1
1 737 . 15 1 1 A 67 67 TYR H H 67 8.612 7.599 1.013 1
1 738 . 15 1 1 A 67 67 TYR HA H 67 5.417 4.933 0.484 1
1 745 . 15 1 1 A 67 67 TYR C C 67 176.403 174.933 1.470 1
1 746 . 15 1 1 A 67 67 TYR CA C 67 55.320 57.457 -2.137 1
1 747 . 15 1 1 A 67 67 TYR CB C 67 35.524 38.022 -2.498 1
1 752 . 15 1 1 A 67 67 TYR N N 67 118.042 119.120 -1.078 1
1 753 . 15 1 1 A 68 68 SER H H 68 6.652 7.656 -1.004 1
1 754 . 15 1 1 A 68 68 SER HA H 68 5.742 5.238 0.504 1
1 757 . 15 1 1 A 68 68 SER C C 68 174.827 173.732 1.095 1
1 758 . 15 1 1 A 68 68 SER CA C 68 56.147 56.618 -0.471 1
1 759 . 15 1 1 A 68 68 SER CB C 68 65.504 65.140 0.364 1
1 760 . 15 1 1 A 68 68 SER N N 68 111.076 113.657 -2.581 1
1 761 . 15 1 1 A 69 69 PHE H H 69 9.089 8.323 0.766 1
1 762 . 15 1 1 A 69 69 PHE HA H 69 5.212 5.851 -0.639 1
1 770 . 15 1 1 A 69 69 PHE C C 69 171.676 173.248 -1.572 1
1 771 . 15 1 1 A 69 69 PHE CA C 69 55.918 54.929 0.989 1
1 772 . 15 1 1 A 69 69 PHE CB C 69 41.034 42.723 -1.689 1
1 778 . 15 1 1 A 69 69 PHE N N 69 121.539 119.321 2.218 1
1 779 . 15 1 1 A 70 70 ARG H H 70 9.299 9.099 0.200 1
1 780 . 15 1 1 A 70 70 ARG HA H 70 5.333 5.133 0.200 1
1 787 . 15 1 1 A 70 70 ARG C C 70 174.197 174.214 -0.017 1
1 788 . 15 1 1 A 70 70 ARG CA C 70 54.198 54.127 0.071 1
1 789 . 15 1 1 A 70 70 ARG CB C 70 35.236 34.261 0.975 1
1 792 . 15 1 1 A 70 70 ARG N N 70 117.458 118.152 -0.694 1
1 794 . 15 1 1 A 71 71 ILE H H 71 8.505 8.499 0.006 1
1 795 . 15 1 1 A 71 71 ILE HA H 71 4.974 5.410 -0.436 1
1 805 . 15 1 1 A 71 71 ILE C C 71 174.996 174.946 0.050 1
1 806 . 15 1 1 A 71 71 ILE CA C 71 60.622 59.999 0.623 1
1 807 . 15 1 1 A 71 71 ILE CB C 71 39.636 40.692 -1.056 1
1 811 . 15 1 1 A 71 71 ILE N N 71 119.757 122.943 -3.186 1
1 812 . 15 1 1 A 72 72 LEU H H 72 9.488 9.018 0.470 1
1 813 . 15 1 1 A 72 72 LEU HA H 72 5.473 5.326 0.147 1
1 823 . 15 1 1 A 72 72 LEU C C 72 176.172 176.151 0.021 1
1 824 . 15 1 1 A 72 72 LEU CA C 72 53.507 53.999 -0.492 1
1 825 . 15 1 1 A 72 72 LEU CB C 72 46.393 45.986 0.407 1
1 829 . 15 1 1 A 72 72 LEU N N 72 128.277 126.768 1.509 1
1 830 . 15 1 1 A 73 73 HIS H H 73 9.087 8.747 0.340 1
1 831 . 15 1 1 A 73 73 HIS HA H 73 4.888 4.612 0.276 1
1 836 . 15 1 1 A 73 73 HIS C C 73 175.118 175.712 -0.594 1
1 837 . 15 1 1 A 73 73 HIS CA C 73 56.675 57.984 -1.309 1
1 838 . 15 1 1 A 73 73 HIS CB C 73 32.933 31.573 1.360 1
1 841 . 15 1 1 A 73 73 HIS N N 73 119.084 123.065 -3.981 1
1 842 . 15 1 1 A 74 74 LYS H H 74 9.551 7.907 1.644 1
1 843 . 15 1 1 A 74 74 LYS HA H 74 3.763 4.287 -0.524 1
1 852 . 15 1 1 A 74 74 LYS C C 74 176.851 176.571 0.280 1
1 853 . 15 1 1 A 74 74 LYS CA C 74 56.969 55.114 1.855 1
1 854 . 15 1 1 A 74 74 LYS CB C 74 29.766 32.623 -2.857 1
1 858 . 15 1 1 A 74 74 LYS N N 74 128.764 116.291 12.473 1
1 859 . 15 1 1 A 75 75 GLY H H 75 8.877 8.052 0.825 1
1 860 . 15 1 1 A 75 75 GLY HA2 H 75 3.523 3.916 -0.393 1
1 861 . 15 1 1 A 75 75 GLY HA3 H 75 4.213 3.925 0.288 1
1 862 . 15 1 1 A 75 75 GLY C C 75 173.566 174.249 -0.683 1
1 863 . 15 1 1 A 75 75 GLY CA C 75 45.346 45.104 0.242 1
1 864 . 15 1 1 A 75 75 GLY N N 75 104.552 108.064 -3.512 1
1 865 . 15 1 1 A 76 76 GLU H H 76 7.922 7.839 0.083 1
1 866 . 15 1 1 A 76 76 GLU HA H 76 4.491 4.690 -0.199 1
1 871 . 15 1 1 A 76 76 GLU C C 76 175.651 174.888 0.763 1
1 872 . 15 1 1 A 76 76 GLU CA C 76 54.721 55.299 -0.578 1
1 873 . 15 1 1 A 76 76 GLU CB C 76 31.187 31.669 -0.482 1
1 875 . 15 1 1 A 76 76 GLU N N 76 121.492 119.986 1.506 1
1 876 . 15 1 1 A 77 77 GLU H H 77 8.925 8.643 0.282 1
1 877 . 15 1 1 A 77 77 GLU HA H 77 4.309 5.022 -0.713 1
1 881 . 15 1 1 A 77 77 GLU C C 77 175.857 175.455 0.402 1
1 882 . 15 1 1 A 77 77 GLU CA C 77 57.412 54.923 2.489 1
1 883 . 15 1 1 A 77 77 GLU CB C 77 31.146 32.091 -0.945 1
1 885 . 15 1 1 A 77 77 GLU N N 77 125.541 121.214 4.327 1
1 886 . 15 1 1 A 78 78 LEU H H 78 9.475 8.804 0.671 1
1 887 . 15 1 1 A 78 78 LEU HA H 78 4.513 4.376 0.137 1
1 897 . 15 1 1 A 78 78 LEU C C 78 177.541 177.084 0.457 1
1 898 . 15 1 1 A 78 78 LEU CA C 78 55.443 56.119 -0.676 1
1 899 . 15 1 1 A 78 78 LEU CB C 78 43.776 42.470 1.306 1
1 903 . 15 1 1 A 78 78 LEU N N 78 128.715 128.966 -0.251 1
1 904 . 15 1 1 A 79 79 ALA H H 79 7.550 7.600 -0.050 1
1 905 . 15 1 1 A 79 79 ALA HA H 79 4.503 4.653 -0.150 1
1 909 . 15 1 1 A 79 79 ALA C C 79 174.342 174.924 -0.582 1
1 910 . 15 1 1 A 79 79 ALA CA C 79 51.906 51.483 0.423 1
1 911 . 15 1 1 A 79 79 ALA CB C 79 22.017 23.147 -1.130 1
1 912 . 15 1 1 A 79 79 ALA N N 79 116.317 117.120 -0.803 1
1 913 . 15 1 1 A 80 80 LYS H H 80 8.743 8.827 -0.084 1
1 914 . 15 1 1 A 80 80 LYS HA H 80 4.725 5.027 -0.302 1
1 923 . 15 1 1 A 80 80 LYS C C 80 172.973 175.054 -2.081 1
1 924 . 15 1 1 A 80 80 LYS CA C 80 56.604 54.830 1.774 1
1 925 . 15 1 1 A 80 80 LYS CB C 80 34.331 35.773 -1.442 1
1 929 . 15 1 1 A 80 80 LYS N N 80 123.623 121.142 2.481 1
1 930 . 15 1 1 A 81 81 LEU H H 81 8.504 8.786 -0.282 1
1 931 . 15 1 1 A 81 81 LEU HA H 81 5.531 5.682 -0.151 1
1 941 . 15 1 1 A 81 81 LEU C C 81 176.366 175.205 1.161 1
1 942 . 15 1 1 A 81 81 LEU CA C 81 53.665 52.889 0.776 1
1 943 . 15 1 1 A 81 81 LEU CB C 81 45.969 44.653 1.316 1
1 947 . 15 1 1 A 81 81 LEU N N 81 124.594 128.060 -3.466 1
1 948 . 15 1 1 A 82 82 GLU H H 82 9.018 8.268 0.750 1
1 949 . 15 1 1 A 82 82 GLU HA H 82 4.826 4.385 0.441 1
1 954 . 15 1 1 A 82 82 GLU C C 82 174.439 175.091 -0.652 1
1 955 . 15 1 1 A 82 82 GLU CA C 82 56.376 54.553 1.823 1
1 956 . 15 1 1 A 82 82 GLU CB C 82 32.852 32.109 0.743 1
1 958 . 15 1 1 A 82 82 GLU N N 82 118.819 120.867 -2.048 1
1 959 . 15 1 1 A 83 83 ALA H H 83 8.027 8.659 -0.632 1
1 960 . 15 1 1 A 83 83 ALA HA H 83 4.980 4.610 0.370 1
1 964 . 15 1 1 A 83 83 ALA C C 83 176.439 179.198 -2.759 1
1 965 . 15 1 1 A 83 83 ALA CA C 83 50.059 50.458 -0.399 1
1 966 . 15 1 1 A 83 83 ALA CB C 83 21.702 21.004 0.698 1
1 967 . 15 1 1 A 83 83 ALA N N 83 127.765 127.937 -0.172 1
1 968 . 15 1 1 A 84 84 LYS H H 84 9.017 8.566 0.451 1
1 969 . 15 1 1 A 84 84 LYS HA H 84 4.432 4.426 0.006 1
1 977 . 15 1 1 A 84 84 LYS C C 84 175.930 176.701 -0.771 1
1 978 . 15 1 1 A 84 84 LYS CA C 84 56.956 56.904 0.052 1
1 979 . 15 1 1 A 84 84 LYS CB C 84 32.974 33.693 -0.719 1
1 983 . 15 1 1 A 84 84 LYS N N 84 115.456 116.542 -1.086 1
1 984 . 15 1 1 A 85 85 SER H H 85 7.324 7.707 -0.383 1
1 985 . 15 1 1 A 85 85 SER HA H 85 4.074 3.856 0.218 1
1 988 . 15 1 1 A 85 85 SER C C 85 173.421 173.387 0.034 1
1 989 . 15 1 1 A 85 85 SER CA C 85 56.038 56.756 -0.718 1
1 990 . 15 1 1 A 85 85 SER CB C 85 66.506 66.581 -0.075 1
1 991 . 15 1 1 A 85 85 SER N N 85 110.261 114.870 -4.609 1
1 992 . 15 1 1 A 86 86 SER H H 86 8.610 8.159 0.451 1
1 993 . 15 1 1 A 86 86 SER HA H 86 3.648 3.990 -0.342 1
1 996 . 15 1 1 A 86 86 SER C C 86 177.784 176.665 1.119 1
1 997 . 15 1 1 A 86 86 SER CA C 86 61.391 61.875 -0.484 1
1 998 . 15 1 1 A 86 86 SER CB C 86 62.378 62.794 -0.416 1
1 999 . 15 1 1 A 86 86 SER N N 86 117.136 117.662 -0.526 1
1 1000 . 15 1 1 A 87 87 GLU H H 87 8.890 7.815 1.075 1
1 1001 . 15 1 1 A 87 87 GLU HA H 87 4.031 3.982 0.049 1
1 1006 . 15 1 1 A 87 87 GLU C C 87 179.492 178.867 0.625 1
1 1007 . 15 1 1 A 87 87 GLU CA C 87 59.983 59.292 0.691 1
1 1008 . 15 1 1 A 87 87 GLU CB C 87 28.969 29.195 -0.226 1
1 1010 . 15 1 1 A 87 87 GLU N N 87 123.189 121.859 1.330 1
1 1011 . 15 1 1 A 88 88 GLU H H 88 8.015 8.063 -0.048 1
1 1012 . 15 1 1 A 88 88 GLU HA H 88 4.243 4.142 0.101 1
1 1017 . 15 1 1 A 88 88 GLU C C 88 178.472 178.531 -0.059 1
1 1018 . 15 1 1 A 88 88 GLU CA C 88 59.642 59.586 0.056 1
1 1019 . 15 1 1 A 88 88 GLU CB C 88 31.016 29.444 1.572 1
1 1021 . 15 1 1 A 88 88 GLU N N 88 121.015 120.542 0.473 1
1 1022 . 15 1 1 A 89 89 MET H H 89 8.334 8.491 -0.157 1
1 1023 . 15 1 1 A 89 89 MET HA H 89 3.843 4.154 -0.311 1
1 1030 . 15 1 1 A 89 89 MET C C 89 177.396 178.616 -1.220 1
1 1031 . 15 1 1 A 89 89 MET CA C 89 60.458 57.964 2.494 1
1 1032 . 15 1 1 A 89 89 MET CB C 89 32.481 32.510 -0.029 1
1 1035 . 15 1 1 A 89 89 MET N N 89 119.764 118.816 0.948 1
1 1036 . 15 1 1 A 90 90 GLY H H 90 8.452 8.356 0.096 1
1 1037 . 15 1 1 A 90 90 GLY HA2 H 90 4.008 3.681 0.327 1
1 1038 . 15 1 1 A 90 90 GLY HA3 H 90 3.723 3.706 0.017 1
1 1039 . 15 1 1 A 90 90 GLY C C 90 176.814 175.543 1.271 1
1 1040 . 15 1 1 A 90 90 GLY CA C 90 47.489 46.809 0.680 1
1 1041 . 15 1 1 A 90 90 GLY N N 90 105.180 108.351 -3.171 1
1 1042 . 15 1 1 A 91 91 HIS H H 91 7.919 8.032 -0.113 1
1 1043 . 15 1 1 A 91 91 HIS HA H 91 4.329 4.172 0.157 1
1 1048 . 15 1 1 A 91 91 HIS C C 91 178.208 177.030 1.178 1
1 1049 . 15 1 1 A 91 91 HIS CA C 91 59.367 58.870 0.497 1
1 1050 . 15 1 1 A 91 91 HIS CB C 91 30.612 29.881 0.731 1
1 1053 . 15 1 1 A 91 91 HIS N N 91 121.929 121.102 0.827 1
1 1054 . 15 1 1 A 92 92 TRP H H 92 8.199 7.609 0.590 1
1 1055 . 15 1 1 A 92 92 TRP HA H 92 3.829 4.312 -0.483 1
1 1064 . 15 1 1 A 92 92 TRP C C 92 178.257 178.534 -0.277 1
1 1065 . 15 1 1 A 92 92 TRP CA C 92 62.464 59.430 3.034 1
1 1066 . 15 1 1 A 92 92 TRP CB C 92 29.190 29.749 -0.559 1
1 1072 . 15 1 1 A 92 92 TRP N N 92 120.070 118.076 1.994 1
1 1074 . 15 1 1 A 93 93 LEU H H 93 8.740 8.197 0.543 1
1 1075 . 15 1 1 A 93 93 LEU HA H 93 3.695 3.742 -0.047 1
1 1085 . 15 1 1 A 93 93 LEU C C 93 179.105 179.228 -0.123 1
1 1086 . 15 1 1 A 93 93 LEU CA C 93 59.076 58.242 0.834 1
1 1087 . 15 1 1 A 93 93 LEU CB C 93 40.993 41.624 -0.631 1
1 1091 . 15 1 1 A 93 93 LEU N N 93 119.445 120.249 -0.804 1
1 1092 . 15 1 1 A 94 94 GLY H H 94 7.616 8.112 -0.496 1
1 1093 . 15 1 1 A 94 94 GLY HA2 H 94 3.852 3.608 0.244 1
1 1094 . 15 1 1 A 94 94 GLY HA3 H 94 3.759 3.638 0.121 1
1 1095 . 15 1 1 A 94 94 GLY C C 94 176.693 175.497 1.196 1
1 1096 . 15 1 1 A 94 94 GLY CA C 94 47.120 47.110 0.010 1
1 1097 . 15 1 1 A 94 94 GLY N N 94 102.951 105.509 -2.558 1
1 1098 . 15 1 1 A 95 95 LEU H H 95 7.853 7.988 -0.135 1
1 1099 . 15 1 1 A 95 95 LEU HA H 95 4.024 3.948 0.076 1
1 1109 . 15 1 1 A 95 95 LEU C C 95 179.589 178.687 0.902 1
1 1110 . 15 1 1 A 95 95 LEU CA C 95 57.678 57.209 0.469 1
1 1111 . 15 1 1 A 95 95 LEU CB C 95 42.533 41.159 1.374 1
1 1115 . 15 1 1 A 95 95 LEU N N 95 123.479 122.997 0.482 1
1 1116 . 15 1 1 A 96 96 LEU H H 96 8.649 8.305 0.344 1
1 1117 . 15 1 1 A 96 96 LEU HA H 96 3.971 4.082 -0.111 1
1 1127 . 15 1 1 A 96 96 LEU C C 96 179.068 179.207 -0.139 1
1 1128 . 15 1 1 A 96 96 LEU CA C 96 57.906 57.766 0.140 1
1 1129 . 15 1 1 A 96 96 LEU CB C 96 42.104 41.851 0.253 1
1 1133 . 15 1 1 A 96 96 LEU N N 96 118.046 118.239 -0.193 1
1 1134 . 15 1 1 A 97 97 LEU H H 97 8.198 8.350 -0.152 1
1 1135 . 15 1 1 A 97 97 LEU HA H 97 4.234 3.901 0.333 1
1 1145 . 15 1 1 A 97 97 LEU C C 97 180.177 179.268 0.909 1
1 1146 . 15 1 1 A 97 97 LEU CA C 97 57.361 58.059 -0.698 1
1 1147 . 15 1 1 A 97 97 LEU CB C 97 41.611 41.441 0.170 1
1 1151 . 15 1 1 A 97 97 LEU N N 97 118.670 118.772 -0.102 1
1 1152 . 15 1 1 A 98 98 SER H H 98 7.818 7.932 -0.114 1
1 1153 . 15 1 1 A 98 98 SER HA H 98 4.328 4.019 0.309 1
1 1156 . 15 1 1 A 98 98 SER C C 98 176.863 177.160 -0.297 1
1 1157 . 15 1 1 A 98 98 SER CA C 98 61.004 61.613 -0.609 1
1 1158 . 15 1 1 A 98 98 SER CB C 98 63.322 62.946 0.376 1
1 1159 . 15 1 1 A 98 98 SER N N 98 115.679 113.294 2.385 1
1 1160 . 15 1 1 A 99 99 GLU H H 99 8.003 7.760 0.243 1
1 1161 . 15 1 1 A 99 99 GLU HA H 99 4.193 4.114 0.079 1
1 1166 . 15 1 1 A 99 99 GLU C C 99 177.226 177.834 -0.608 1
1 1167 . 15 1 1 A 99 99 GLU CA C 99 57.449 58.977 -1.528 1
1 1168 . 15 1 1 A 99 99 GLU CB C 99 30.260 29.501 0.759 1
1 1170 . 15 1 1 A 99 99 GLU N N 99 120.518 121.678 -1.160 1
1 1171 . 15 1 1 A 100 100 SER H H 100 7.892 8.308 -0.416 1
1 1172 . 15 1 1 A 100 100 SER HA H 100 4.582 4.910 -0.328 1
1 1175 . 15 1 1 A 100 100 SER C C 100 175.881 174.775 1.106 1
1 1176 . 15 1 1 A 100 100 SER CA C 100 59.561 59.137 0.424 1
1 1177 . 15 1 1 A 100 100 SER CB C 100 64.188 64.574 -0.386 1
1 1178 . 15 1 1 A 100 100 SER N N 100 113.686 115.933 -2.247 1
1 1179 . 15 1 1 A 101 101 GLY H H 101 7.861 8.095 -0.234 1
1 1180 . 15 1 1 A 101 101 GLY HA2 H 101 4.114 4.003 0.111 1
1 1181 . 15 1 1 A 101 101 GLY HA3 H 101 4.063 4.014 0.049 1
1 1182 . 15 1 1 A 101 101 GLY C C 101 174.076 173.143 0.933 1
1 1183 . 15 1 1 A 101 101 GLY CA C 101 45.501 46.492 -0.991 1
1 1184 . 15 1 1 A 101 101 GLY N N 101 109.148 110.894 -1.746 1
1 1185 . 15 1 1 A 102 102 SER H H 102 8.260 8.568 -0.308 1
1 1186 . 15 1 1 A 102 102 SER HA H 102 4.543 4.930 -0.387 1
1 1189 . 15 1 1 A 102 102 SER C C 102 174.851 174.670 0.181 1
1 1190 . 15 1 1 A 102 102 SER CA C 102 58.646 57.757 0.889 1
1 1191 . 15 1 1 A 102 102 SER CB C 102 64.211 64.613 -0.402 1
1 1192 . 15 1 1 A 102 102 SER N N 102 116.298 122.161 -5.863 1
1 1193 . 15 1 1 A 103 103 GLY H H 103 8.252 8.656 -0.404 1
1 1194 . 15 1 1 A 103 103 GLY HA2 H 103 4.173 3.858 0.315 1
1 1195 . 15 1 1 A 103 103 GLY HA3 H 103 4.074 3.859 0.215 1
1 1196 . 15 1 1 A 103 103 GLY C C 103 171.773 174.784 -3.011 1
1 1197 . 15 1 1 A 103 103 GLY CA C 103 44.777 47.648 -2.871 1
1 1198 . 15 1 1 A 103 103 GLY N N 103 110.162 112.672 -2.510 1
1 1199 . 15 1 1 A 104 104 PRO HA H 104 4.515 4.693 -0.178 1
1 1206 . 15 1 1 A 104 104 PRO CA C 104 63.224 62.488 0.736 1
1 1207 . 15 1 1 A 104 104 PRO CB C 104 32.174 29.572 2.602 1
1 1210 . 15 1 1 A 105 105 SER H H 105 8.559 8.205 0.354 1
1 1211 . 15 1 1 A 105 105 SER CA C 105 60.998 57.764 3.234 1
1 1212 . 15 1 1 A 105 105 SER CB C 105 63.768 65.880 -2.112 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.952 4.063 -0.111 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.952 4.080 -0.128 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.197 172.384 1.813 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.378 44.730 0.648 1
1 5 . 16 1 1 A 8 8 LEU H H 8 8.030 8.104 -0.074 1
1 6 . 16 1 1 A 8 8 LEU HA H 8 4.321 4.712 -0.391 1
1 16 . 16 1 1 A 8 8 LEU C C 8 177.468 174.122 3.346 1
1 17 . 16 1 1 A 8 8 LEU CA C 8 55.320 54.648 0.672 1
1 18 . 16 1 1 A 8 8 LEU CB C 8 42.556 45.012 -2.456 1
1 22 . 16 1 1 A 8 8 LEU N N 8 121.494 123.602 -2.108 1
1 23 . 16 1 1 A 9 9 GLU H H 9 8.577 8.845 -0.268 1
1 24 . 16 1 1 A 9 9 GLU HA H 9 4.454 4.599 -0.145 1
1 29 . 16 1 1 A 9 9 GLU C C 9 177.056 176.423 0.633 1
1 30 . 16 1 1 A 9 9 GLU CA C 9 56.956 54.609 2.347 1
1 31 . 16 1 1 A 9 9 GLU CB C 9 30.237 30.332 -0.095 1
1 33 . 16 1 1 A 9 9 GLU N N 9 121.449 127.031 -5.582 1
1 34 . 16 1 1 A 10 10 THR H H 10 8.189 8.212 -0.023 1
1 35 . 16 1 1 A 10 10 THR HA H 10 4.323 3.887 0.436 1
1 40 . 16 1 1 A 10 10 THR CA C 10 62.062 62.985 -0.923 1
1 41 . 16 1 1 A 10 10 THR CB C 10 69.441 66.627 2.814 1
1 43 . 16 1 1 A 10 10 THR N N 10 113.730 119.618 -5.888 1
1 44 . 16 1 1 A 11 11 SER H H 11 7.883 7.436 0.447 1
1 45 . 16 1 1 A 11 11 SER HA H 11 5.249 5.174 0.075 1
1 48 . 16 1 1 A 11 11 SER CA C 11 57.852 57.665 0.187 1
1 49 . 16 1 1 A 11 11 SER CB C 11 65.426 66.028 -0.602 1
1 50 . 16 1 1 A 12 12 SER H H 12 8.413 8.027 0.386 1
1 51 . 16 1 1 A 12 12 SER HA H 12 4.467 4.538 -0.071 1
1 54 . 16 1 1 A 12 12 SER CA C 12 58.741 57.007 1.734 1
1 55 . 16 1 1 A 12 12 SER CB C 12 65.239 66.425 -1.186 1
1 56 . 16 1 1 A 12 12 SER N N 12 116.995 119.249 -2.254 1
1 57 . 16 1 1 A 13 13 TYR H H 13 8.156 7.931 0.225 1
1 58 . 16 1 1 A 13 13 TYR HA H 13 4.936 4.217 0.719 1
1 65 . 16 1 1 A 13 13 TYR CA C 13 58.533 57.306 1.227 1
1 68 . 16 1 1 A 13 13 TYR N N 13 121.972 125.903 -3.931 1
1 69 . 16 1 1 A 14 14 LEU H H 14 8.803 8.729 0.074 1
1 70 . 16 1 1 A 14 14 LEU HA H 14 4.573 4.770 -0.197 1
1 80 . 16 1 1 A 14 14 LEU C C 14 175.845 176.099 -0.254 1
1 81 . 16 1 1 A 14 14 LEU CA C 14 54.141 53.140 1.001 1
1 82 . 16 1 1 A 14 14 LEU CB C 14 46.603 43.498 3.105 1
1 86 . 16 1 1 A 14 14 LEU N N 14 123.967 126.449 -2.482 1
1 87 . 16 1 1 A 15 15 ASN H H 15 8.090 8.797 -0.707 1
1 88 . 16 1 1 A 15 15 ASN HA H 15 5.669 5.100 0.569 1
1 93 . 16 1 1 A 15 15 ASN C C 15 174.972 174.421 0.551 1
1 94 . 16 1 1 A 15 15 ASN CA C 15 51.589 52.793 -1.204 1
1 95 . 16 1 1 A 15 15 ASN CB C 15 40.317 39.409 0.908 1
1 96 . 16 1 1 A 15 15 ASN N N 15 117.248 120.382 -3.134 1
1 98 . 16 1 1 A 16 16 VAL H H 16 9.452 8.264 1.188 1
1 99 . 16 1 1 A 16 16 VAL HA H 16 4.743 4.576 0.167 1
1 107 . 16 1 1 A 16 16 VAL C C 16 174.269 176.213 -1.944 1
1 108 . 16 1 1 A 16 16 VAL CA C 16 60.574 61.945 -1.371 1
1 109 . 16 1 1 A 16 16 VAL CB C 16 35.194 32.448 2.746 1
1 112 . 16 1 1 A 16 16 VAL N N 16 122.909 125.618 -2.709 1
1 113 . 16 1 1 A 17 17 LEU H H 17 7.892 8.551 -0.659 1
1 114 . 16 1 1 A 17 17 LEU HA H 17 3.679 3.870 -0.191 1
1 124 . 16 1 1 A 17 17 LEU C C 17 175.747 175.186 0.561 1
1 125 . 16 1 1 A 17 17 LEU CA C 17 54.493 55.982 -1.489 1
1 126 . 16 1 1 A 17 17 LEU CB C 17 40.541 41.622 -1.081 1
1 130 . 16 1 1 A 17 17 LEU N N 17 130.093 130.605 -0.512 1
1 131 . 16 1 1 A 18 18 VAL H H 18 8.923 8.518 0.405 1
1 132 . 16 1 1 A 18 18 VAL HA H 18 4.053 4.295 -0.242 1
1 140 . 16 1 1 A 18 18 VAL C C 18 175.869 175.729 0.140 1
1 141 . 16 1 1 A 18 18 VAL CA C 18 61.285 61.294 -0.009 1
1 142 . 16 1 1 A 18 18 VAL CB C 18 33.609 34.139 -0.530 1
1 145 . 16 1 1 A 18 18 VAL N N 18 130.417 126.402 4.015 1
1 146 . 16 1 1 A 19 19 ASN H H 19 9.323 9.395 -0.072 1
1 147 . 16 1 1 A 19 19 ASN HA H 19 4.232 4.336 -0.104 1
1 152 . 16 1 1 A 19 19 ASN C C 19 174.948 174.443 0.505 1
1 153 . 16 1 1 A 19 19 ASN CA C 19 54.809 54.612 0.197 1
1 154 . 16 1 1 A 19 19 ASN CB C 19 37.192 36.816 0.376 1
1 155 . 16 1 1 A 19 19 ASN N N 19 127.579 127.129 0.450 1
1 157 . 16 1 1 A 20 20 SER H H 20 8.464 8.411 0.053 1
1 158 . 16 1 1 A 20 20 SER HA H 20 3.653 3.880 -0.227 1
1 161 . 16 1 1 A 20 20 SER C C 20 172.645 172.886 -0.241 1
1 162 . 16 1 1 A 20 20 SER CA C 20 60.458 59.662 0.796 1
1 163 . 16 1 1 A 20 20 SER CB C 20 62.584 61.286 1.298 1
1 164 . 16 1 1 A 20 20 SER N N 20 106.869 105.936 0.933 1
1 165 . 16 1 1 A 21 21 GLN H H 21 7.695 7.300 0.395 1
1 166 . 16 1 1 A 21 21 GLN HA H 21 4.591 4.671 -0.080 1
1 173 . 16 1 1 A 21 21 GLN C C 21 174.003 174.548 -0.545 1
1 174 . 16 1 1 A 21 21 GLN CA C 21 53.772 54.202 -0.430 1
1 175 . 16 1 1 A 21 21 GLN CB C 21 32.069 31.774 0.295 1
1 177 . 16 1 1 A 21 21 GLN N N 21 120.372 118.139 2.233 1
1 179 . 16 1 1 A 22 22 TRP H H 22 8.743 8.856 -0.113 1
1 180 . 16 1 1 A 22 22 TRP HA H 22 4.690 4.973 -0.283 1
1 189 . 16 1 1 A 22 22 TRP C C 22 176.863 176.418 0.445 1
1 190 . 16 1 1 A 22 22 TRP CA C 22 57.062 57.319 -0.257 1
1 191 . 16 1 1 A 22 22 TRP CB C 22 29.323 29.578 -0.255 1
1 197 . 16 1 1 A 22 22 TRP N N 22 124.919 124.480 0.439 1
1 199 . 16 1 1 A 23 23 LYS H H 23 9.302 8.613 0.689 1
1 200 . 16 1 1 A 23 23 LYS HA H 23 4.798 4.886 -0.088 1
1 208 . 16 1 1 A 23 23 LYS C C 23 176.050 176.316 -0.266 1
1 209 . 16 1 1 A 23 23 LYS CA C 23 54.106 54.339 -0.233 1
1 210 . 16 1 1 A 23 23 LYS CB C 23 35.583 35.014 0.569 1
1 214 . 16 1 1 A 23 23 LYS N N 23 124.474 125.257 -0.783 1
1 215 . 16 1 1 A 24 24 SER H H 24 8.740 8.600 0.140 1
1 216 . 16 1 1 A 24 24 SER HA H 24 5.035 4.813 0.222 1
1 219 . 16 1 1 A 24 24 SER C C 24 175.905 173.771 2.134 1
1 220 . 16 1 1 A 24 24 SER CA C 24 58.857 57.905 0.952 1
1 221 . 16 1 1 A 24 24 SER CB C 24 63.489 63.985 -0.496 1
1 222 . 16 1 1 A 24 24 SER N N 24 118.568 116.476 2.092 1
1 223 . 16 1 1 A 25 25 ARG H H 25 9.302 8.187 1.115 1
1 224 . 16 1 1 A 25 25 ARG HA H 25 4.946 4.845 0.101 1
1 231 . 16 1 1 A 25 25 ARG C C 25 173.724 174.103 -0.379 1
1 232 . 16 1 1 A 25 25 ARG CA C 25 54.440 55.465 -1.025 1
1 233 . 16 1 1 A 25 25 ARG CB C 25 34.825 34.567 0.258 1
1 236 . 16 1 1 A 25 25 ARG N N 25 126.895 123.261 3.634 1
1 237 . 16 1 1 A 26 26 TRP H H 26 8.668 9.027 -0.359 1
1 238 . 16 1 1 A 26 26 TRP HA H 26 4.780 5.285 -0.505 1
1 247 . 16 1 1 A 26 26 TRP C C 26 175.796 174.937 0.859 1
1 248 . 16 1 1 A 26 26 TRP CA C 26 57.555 56.100 1.455 1
1 249 . 16 1 1 A 26 26 TRP CB C 26 29.833 31.601 -1.768 1
1 255 . 16 1 1 A 26 26 TRP N N 26 123.493 127.403 -3.910 1
1 257 . 16 1 1 A 27 27 CYS H H 27 8.884 8.781 0.103 1
1 258 . 16 1 1 A 27 27 CYS HA H 27 5.668 5.417 0.251 1
1 261 . 16 1 1 A 27 27 CYS C C 27 174.560 173.965 0.595 1
1 262 . 16 1 1 A 27 27 CYS CA C 27 58.184 57.002 1.182 1
1 263 . 16 1 1 A 27 27 CYS CB C 27 31.516 30.030 1.486 1
1 264 . 16 1 1 A 27 27 CYS N N 27 124.947 126.469 -1.522 1
1 265 . 16 1 1 A 28 28 SER H H 28 8.566 8.595 -0.029 1
1 266 . 16 1 1 A 28 28 SER HA H 28 5.240 5.305 -0.065 1
1 269 . 16 1 1 A 28 28 SER C C 28 173.106 173.275 -0.169 1
1 270 . 16 1 1 A 28 28 SER CA C 28 57.027 57.347 -0.320 1
1 271 . 16 1 1 A 28 28 SER CB C 28 66.738 65.854 0.884 1
1 272 . 16 1 1 A 28 28 SER N N 28 114.751 118.436 -3.685 1
1 273 . 16 1 1 A 29 29 VAL H H 29 8.843 8.388 0.455 1
1 274 . 16 1 1 A 29 29 VAL HA H 29 5.302 5.172 0.130 1
1 282 . 16 1 1 A 29 29 VAL C C 29 175.905 175.408 0.497 1
1 283 . 16 1 1 A 29 29 VAL CA C 29 61.233 61.362 -0.129 1
1 284 . 16 1 1 A 29 29 VAL CB C 29 32.832 33.970 -1.138 1
1 287 . 16 1 1 A 29 29 VAL N N 29 125.688 126.700 -1.012 1
1 288 . 16 1 1 A 30 30 ARG H H 30 8.964 8.689 0.275 1
1 289 . 16 1 1 A 30 30 ARG HA H 30 4.620 4.531 0.089 1
1 295 . 16 1 1 A 30 30 ARG C C 30 176.160 175.268 0.892 1
1 296 . 16 1 1 A 30 30 ARG CA C 30 55.901 57.487 -1.586 1
1 297 . 16 1 1 A 30 30 ARG CB C 30 33.198 32.591 0.607 1
1 300 . 16 1 1 A 30 30 ARG N N 30 125.513 128.535 -3.022 1
1 301 . 16 1 1 A 31 31 ASP H H 31 9.773 8.309 1.464 1
1 302 . 16 1 1 A 31 31 ASP HA H 31 4.451 4.676 -0.225 1
1 305 . 16 1 1 A 31 31 ASP C C 31 177.008 175.964 1.044 1
1 306 . 16 1 1 A 31 31 ASP CA C 31 55.936 53.032 2.904 1
1 307 . 16 1 1 A 31 31 ASP CB C 31 39.659 39.677 -0.018 1
1 308 . 16 1 1 A 31 31 ASP N N 31 127.085 119.770 7.315 1
1 309 . 16 1 1 A 32 32 ASN H H 32 9.639 8.111 1.528 1
1 310 . 16 1 1 A 32 32 ASN HA H 32 4.535 4.664 -0.129 1
1 315 . 16 1 1 A 32 32 ASN C C 32 172.766 173.978 -1.212 1
1 316 . 16 1 1 A 32 32 ASN CA C 32 55.549 54.294 1.255 1
1 317 . 16 1 1 A 32 32 ASN CB C 32 38.238 37.206 1.032 1
1 318 . 16 1 1 A 32 32 ASN N N 32 112.101 120.455 -8.354 1
1 320 . 16 1 1 A 33 33 HIS H H 33 8.292 7.795 0.497 1
1 321 . 16 1 1 A 33 33 HIS HA H 33 5.368 5.527 -0.159 1
1 326 . 16 1 1 A 33 33 HIS C C 33 172.718 173.742 -1.024 1
1 327 . 16 1 1 A 33 33 HIS CA C 33 55.303 54.790 0.513 1
1 328 . 16 1 1 A 33 33 HIS CB C 33 32.851 33.793 -0.942 1
1 331 . 16 1 1 A 33 33 HIS N N 33 116.294 116.392 -0.098 1
1 332 . 16 1 1 A 34 34 LEU H H 34 8.987 9.211 -0.224 1
1 333 . 16 1 1 A 34 34 LEU HA H 34 4.784 4.975 -0.191 1
1 342 . 16 1 1 A 34 34 LEU C C 34 173.240 175.088 -1.848 1
1 343 . 16 1 1 A 34 34 LEU CA C 34 53.719 53.513 0.206 1
1 344 . 16 1 1 A 34 34 LEU CB C 34 45.147 43.551 1.596 1
1 348 . 16 1 1 A 34 34 LEU N N 34 122.961 125.343 -2.382 1
1 349 . 16 1 1 A 35 35 HIS H H 35 9.169 9.584 -0.415 1
1 350 . 16 1 1 A 35 35 HIS HA H 35 4.713 4.995 -0.282 1
1 355 . 16 1 1 A 35 35 HIS C C 35 174.778 174.697 0.081 1
1 356 . 16 1 1 A 35 35 HIS CA C 35 55.284 56.081 -0.797 1
1 357 . 16 1 1 A 35 35 HIS CB C 35 34.455 31.733 2.722 1
1 360 . 16 1 1 A 35 35 HIS N N 35 125.201 126.129 -0.928 1
1 361 . 16 1 1 A 36 36 PHE H H 36 9.522 8.904 0.618 1
1 362 . 16 1 1 A 36 36 PHE HA H 36 5.014 5.171 -0.157 1
1 370 . 16 1 1 A 36 36 PHE C C 36 174.911 174.050 0.861 1
1 371 . 16 1 1 A 36 36 PHE CA C 36 56.217 56.146 0.071 1
1 372 . 16 1 1 A 36 36 PHE CB C 36 43.666 41.859 1.807 1
1 378 . 16 1 1 A 36 36 PHE N N 36 118.294 119.004 -0.710 1
1 379 . 16 1 1 A 37 37 TYR H H 37 9.783 9.545 0.238 1
1 380 . 16 1 1 A 37 37 TYR HA H 37 5.453 5.234 0.219 1
1 387 . 16 1 1 A 37 37 TYR C C 37 176.475 174.810 1.665 1
1 388 . 16 1 1 A 37 37 TYR CA C 37 57.185 56.572 0.613 1
1 389 . 16 1 1 A 37 37 TYR CB C 37 41.569 43.403 -1.834 1
1 394 . 16 1 1 A 37 37 TYR N N 37 121.241 121.611 -0.370 1
1 395 . 16 1 1 A 38 38 GLN H H 38 9.233 8.909 0.324 1
1 396 . 16 1 1 A 38 38 GLN HA H 38 4.480 4.887 -0.407 1
1 403 . 16 1 1 A 38 38 GLN C C 38 175.408 175.338 0.070 1
1 404 . 16 1 1 A 38 38 GLN CA C 38 57.977 54.605 3.372 1
1 405 . 16 1 1 A 38 38 GLN CB C 38 29.825 29.308 0.517 1
1 407 . 16 1 1 A 38 38 GLN N N 38 119.348 120.777 -1.429 1
1 409 . 16 1 1 A 39 39 ASP H H 39 8.674 9.451 -0.777 1
1 410 . 16 1 1 A 39 39 ASP HA H 39 4.849 4.055 0.794 1
1 413 . 16 1 1 A 39 39 ASP CA C 39 52.402 55.488 -3.086 1
1 414 . 16 1 1 A 39 39 ASP CB C 39 43.525 39.176 4.349 1
1 415 . 16 1 1 A 40 40 ARG H H 40 7.823 7.967 -0.144 1
1 416 . 16 1 1 A 40 40 ARG HA H 40 2.342 3.566 -1.224 1
1 423 . 16 1 1 A 40 40 ARG CA C 40 57.183 56.725 0.458 1
1 424 . 16 1 1 A 40 40 ARG CB C 40 29.300 26.750 2.550 1
1 427 . 16 1 1 A 40 40 ARG N N 40 119.412 109.212 10.200 1
1 428 . 16 1 1 A 41 41 ASN H H 41 7.601 8.330 -0.729 1
1 429 . 16 1 1 A 41 41 ASN HA H 41 4.408 5.119 -0.711 1
1 434 . 16 1 1 A 41 41 ASN C C 41 174.584 175.772 -1.188 1
1 435 . 16 1 1 A 41 41 ASN CA C 41 53.396 52.397 0.999 1
1 436 . 16 1 1 A 41 41 ASN CB C 41 37.847 38.949 -1.102 1
1 437 . 16 1 1 A 41 41 ASN N N 41 114.895 116.159 -1.264 1
1 439 . 16 1 1 A 42 42 ARG H H 42 7.927 8.038 -0.111 1
1 440 . 16 1 1 A 42 42 ARG HA H 42 3.271 3.929 -0.658 1
1 446 . 16 1 1 A 42 42 ARG CA C 42 57.164 59.944 -2.780 1
1 449 . 16 1 1 A 42 42 ARG N N 42 115.263 121.510 -6.247 1
1 450 . 16 1 1 A 43 43 SER H H 43 9.112 8.214 0.898 1
1 451 . 16 1 1 A 43 43 SER HA H 43 4.444 4.170 0.274 1
1 454 . 16 1 1 A 43 43 SER CA C 43 59.742 61.453 -1.711 1
1 455 . 16 1 1 A 43 43 SER CB C 43 64.693 63.120 1.573 1
1 456 . 16 1 1 A 43 43 SER N N 43 115.094 115.308 -0.214 1
1 457 . 16 1 1 A 44 44 LYS H H 44 8.543 8.188 0.355 1
1 458 . 16 1 1 A 44 44 LYS HA H 44 4.784 4.633 0.151 1
1 464 . 16 1 1 A 44 44 LYS C C 44 175.723 175.462 0.261 1
1 465 . 16 1 1 A 44 44 LYS CA C 44 55.091 55.178 -0.087 1
1 466 . 16 1 1 A 44 44 LYS CB C 44 34.642 32.026 2.616 1
1 470 . 16 1 1 A 45 45 VAL H H 45 8.965 7.067 1.898 1
1 471 . 16 1 1 A 45 45 VAL HA H 45 4.043 4.226 -0.183 1
1 479 . 16 1 1 A 45 45 VAL C C 45 176.656 177.380 -0.724 1
1 480 . 16 1 1 A 45 45 VAL CA C 45 63.883 63.697 0.186 1
1 481 . 16 1 1 A 45 45 VAL CB C 45 32.621 32.173 0.448 1
1 484 . 16 1 1 A 45 45 VAL N N 45 127.663 121.104 6.559 1
1 485 . 16 1 1 A 46 46 ALA H H 46 9.214 8.432 0.782 1
1 486 . 16 1 1 A 46 46 ALA HA H 46 4.523 4.099 0.424 1
1 490 . 16 1 1 A 46 46 ALA C C 46 176.560 177.296 -0.736 1
1 491 . 16 1 1 A 46 46 ALA CA C 46 52.610 55.180 -2.570 1
1 492 . 16 1 1 A 46 46 ALA CB C 46 20.929 19.381 1.548 1
1 493 . 16 1 1 A 46 46 ALA N N 46 129.165 131.370 -2.205 1
1 494 . 16 1 1 A 47 47 GLN H H 47 7.504 7.732 -0.228 1
1 495 . 16 1 1 A 47 47 GLN HA H 47 4.494 4.554 -0.060 1
1 502 . 16 1 1 A 47 47 GLN C C 47 173.057 173.761 -0.704 1
1 503 . 16 1 1 A 47 47 GLN CA C 47 54.458 54.853 -0.395 1
1 504 . 16 1 1 A 47 47 GLN CB C 47 30.918 30.649 0.269 1
1 506 . 16 1 1 A 47 47 GLN N N 47 112.591 111.085 1.506 1
1 508 . 16 1 1 A 48 48 GLN H H 48 8.541 8.472 0.069 1
1 509 . 16 1 1 A 48 48 GLN HA H 48 4.420 4.205 0.215 1
1 516 . 16 1 1 A 48 48 GLN C C 48 172.864 174.769 -1.905 1
1 517 . 16 1 1 A 48 48 GLN CA C 48 54.774 54.234 0.540 1
1 518 . 16 1 1 A 48 48 GLN CB C 48 28.017 29.334 -1.317 1
1 520 . 16 1 1 A 48 48 GLN N N 48 120.933 121.630 -0.697 1
1 522 . 16 1 1 A 49 49 PRO HA H 49 4.963 4.798 0.165 1
1 529 . 16 1 1 A 49 49 PRO C C 49 177.105 175.360 1.745 1
1 530 . 16 1 1 A 49 49 PRO CA C 49 63.010 62.317 0.693 1
1 531 . 16 1 1 A 49 49 PRO CB C 49 32.625 32.787 -0.162 1
1 534 . 16 1 1 A 50 50 LEU H H 50 8.937 8.896 0.041 1
1 535 . 16 1 1 A 50 50 LEU HA H 50 4.742 5.011 -0.269 1
1 545 . 16 1 1 A 50 50 LEU C C 50 176.147 175.254 0.893 1
1 546 . 16 1 1 A 50 50 LEU CA C 50 53.120 53.194 -0.074 1
1 547 . 16 1 1 A 50 50 LEU CB C 50 45.352 45.631 -0.279 1
1 551 . 16 1 1 A 50 50 LEU N N 50 121.454 121.851 -0.397 1
1 552 . 16 1 1 A 51 51 SER H H 51 8.771 8.515 0.256 1
1 553 . 16 1 1 A 51 51 SER HA H 51 3.434 3.998 -0.564 1
1 556 . 16 1 1 A 51 51 SER C C 51 175.081 174.481 0.600 1
1 557 . 16 1 1 A 51 51 SER CA C 51 57.936 56.549 1.387 1
1 558 . 16 1 1 A 51 51 SER CB C 51 62.378 63.042 -0.664 1
1 559 . 16 1 1 A 51 51 SER N N 51 120.178 116.463 3.715 1
1 560 . 16 1 1 A 52 52 LEU H H 52 8.045 8.000 0.045 1
1 561 . 16 1 1 A 52 52 LEU HA H 52 4.443 4.025 0.418 1
1 571 . 16 1 1 A 52 52 LEU C C 52 177.916 177.739 0.177 1
1 572 . 16 1 1 A 52 52 LEU CA C 52 55.105 57.716 -2.611 1
1 573 . 16 1 1 A 52 52 LEU CB C 52 42.762 41.389 1.373 1
1 577 . 16 1 1 A 52 52 LEU N N 52 125.348 127.950 -2.602 1
1 578 . 16 1 1 A 53 53 VAL H H 53 7.418 7.378 0.040 1
1 579 . 16 1 1 A 53 53 VAL HA H 53 3.841 3.852 -0.011 1
1 587 . 16 1 1 A 53 53 VAL C C 53 178.123 177.133 0.990 1
1 588 . 16 1 1 A 53 53 VAL CA C 53 64.893 64.849 0.044 1
1 589 . 16 1 1 A 53 53 VAL CB C 53 30.973 31.151 -0.178 1
1 592 . 16 1 1 A 53 53 VAL N N 53 119.590 119.049 0.541 1
1 593 . 16 1 1 A 54 54 GLY H H 54 9.187 8.840 0.347 1
1 594 . 16 1 1 A 54 54 GLY HA2 H 54 4.292 3.961 0.331 1
1 595 . 16 1 1 A 54 54 GLY HA3 H 54 3.934 4.183 -0.249 1
1 596 . 16 1 1 A 54 54 GLY C C 54 175.275 174.692 0.583 1
1 597 . 16 1 1 A 54 54 GLY CA C 54 45.906 44.898 1.008 1
1 598 . 16 1 1 A 54 54 GLY N N 54 115.764 114.923 0.841 1
1 599 . 16 1 1 A 55 55 CYS H H 55 7.871 8.217 -0.346 1
1 600 . 16 1 1 A 55 55 CYS HA H 55 5.052 4.536 0.516 1
1 603 . 16 1 1 A 55 55 CYS C C 55 174.112 173.367 0.745 1
1 604 . 16 1 1 A 55 55 CYS CA C 55 60.352 59.366 0.986 1
1 605 . 16 1 1 A 55 55 CYS CB C 55 28.779 29.428 -0.649 1
1 606 . 16 1 1 A 55 55 CYS N N 55 117.748 120.195 -2.447 1
1 607 . 16 1 1 A 56 56 GLU H H 56 9.140 8.773 0.367 1
1 608 . 16 1 1 A 56 56 GLU HA H 56 4.672 4.825 -0.153 1
1 612 . 16 1 1 A 56 56 GLU C C 56 175.105 174.474 0.631 1
1 613 . 16 1 1 A 56 56 GLU CA C 56 55.179 55.322 -0.143 1
1 614 . 16 1 1 A 56 56 GLU CB C 56 33.097 33.556 -0.459 1
1 616 . 16 1 1 A 56 56 GLU N N 56 120.179 121.985 -1.806 1
1 617 . 16 1 1 A 57 57 VAL H H 57 8.385 8.875 -0.490 1
1 618 . 16 1 1 A 57 57 VAL HA H 57 5.238 4.477 0.761 1
1 626 . 16 1 1 A 57 57 VAL C C 57 175.238 175.822 -0.584 1
1 627 . 16 1 1 A 57 57 VAL CA C 57 61.064 62.349 -1.285 1
1 628 . 16 1 1 A 57 57 VAL CB C 57 33.429 31.755 1.674 1
1 631 . 16 1 1 A 57 57 VAL N N 57 122.535 127.785 -5.250 1
1 632 . 16 1 1 A 58 58 VAL H H 58 8.884 9.222 -0.338 1
1 633 . 16 1 1 A 58 58 VAL HA H 58 5.053 4.910 0.143 1
1 641 . 16 1 1 A 58 58 VAL C C 58 174.027 173.632 0.395 1
1 642 . 16 1 1 A 58 58 VAL CA C 58 57.977 57.944 0.033 1
1 643 . 16 1 1 A 58 58 VAL CB C 58 35.583 34.328 1.255 1
1 646 . 16 1 1 A 58 58 VAL N N 58 122.081 121.827 0.254 1
1 647 . 16 1 1 A 59 59 PRO HA H 59 4.573 4.898 -0.325 1
1 654 . 16 1 1 A 59 59 PRO C C 59 175.457 175.175 0.282 1
1 655 . 16 1 1 A 59 59 PRO CA C 59 63.643 62.372 1.271 1
1 656 . 16 1 1 A 59 59 PRO CB C 59 32.915 29.977 2.938 1
1 659 . 16 1 1 A 60 60 ASP H H 60 8.989 8.508 0.481 1
1 660 . 16 1 1 A 60 60 ASP HA H 60 5.179 5.301 -0.122 1
1 663 . 16 1 1 A 60 60 ASP C C 60 172.742 174.147 -1.405 1
1 664 . 16 1 1 A 60 60 ASP CA C 60 52.698 50.911 1.787 1
1 665 . 16 1 1 A 60 60 ASP CB C 60 43.314 41.343 1.971 1
1 666 . 16 1 1 A 60 60 ASP N N 60 122.718 123.840 -1.122 1
1 667 . 16 1 1 A 61 61 PRO HA H 61 4.681 5.017 -0.336 1
1 674 . 16 1 1 A 61 61 PRO C C 61 177.420 175.569 1.851 1
1 675 . 16 1 1 A 61 61 PRO CA C 61 63.594 62.544 1.050 1
1 676 . 16 1 1 A 61 61 PRO CB C 61 32.950 32.674 0.276 1
1 679 . 16 1 1 A 62 62 SER H H 62 7.803 8.387 -0.584 1
1 680 . 16 1 1 A 62 62 SER HA H 62 4.797 5.090 -0.293 1
1 683 . 16 1 1 A 62 62 SER C C 62 174.851 174.806 0.045 1
1 684 . 16 1 1 A 62 62 SER CA C 62 56.896 55.712 1.184 1
1 685 . 16 1 1 A 62 62 SER CB C 62 63.959 64.597 -0.638 1
1 686 . 16 1 1 A 62 62 SER N N 62 115.582 116.346 -0.764 1
1 687 . 16 1 1 A 63 63 PRO HA H 63 4.089 4.494 -0.405 1
1 694 . 16 1 1 A 63 63 PRO C C 63 177.105 176.344 0.761 1
1 695 . 16 1 1 A 63 63 PRO CA C 63 66.024 64.149 1.875 1
1 696 . 16 1 1 A 63 63 PRO CB C 63 31.763 31.503 0.260 1
1 699 . 16 1 1 A 64 64 ASP H H 64 8.361 8.197 0.164 1
1 700 . 16 1 1 A 64 64 ASP HA H 64 4.290 4.625 -0.335 1
1 703 . 16 1 1 A 64 64 ASP C C 64 174.802 175.308 -0.506 1
1 704 . 16 1 1 A 64 64 ASP CA C 64 54.458 54.430 0.028 1
1 705 . 16 1 1 A 64 64 ASP CB C 64 40.481 43.179 -2.698 1
1 706 . 16 1 1 A 64 64 ASP N N 64 111.867 117.188 -5.321 1
1 707 . 16 1 1 A 65 65 HIS H H 65 7.781 7.669 0.112 1
1 708 . 16 1 1 A 65 65 HIS HA H 65 4.558 4.669 -0.111 1
1 713 . 16 1 1 A 65 65 HIS C C 65 174.972 174.588 0.384 1
1 714 . 16 1 1 A 65 65 HIS CA C 65 54.370 54.495 -0.125 1
1 715 . 16 1 1 A 65 65 HIS CB C 65 28.450 31.400 -2.950 1
1 718 . 16 1 1 A 65 65 HIS N N 65 120.793 116.130 4.663 1
1 719 . 16 1 1 A 66 66 LEU H H 66 8.206 8.196 0.010 1
1 720 . 16 1 1 A 66 66 LEU HA H 66 3.893 4.228 -0.335 1
1 730 . 16 1 1 A 66 66 LEU C C 66 178.826 176.426 2.400 1
1 731 . 16 1 1 A 66 66 LEU CA C 66 57.857 54.389 3.468 1
1 732 . 16 1 1 A 66 66 LEU CB C 66 42.245 41.447 0.798 1
1 736 . 16 1 1 A 66 66 LEU N N 66 124.390 125.248 -0.858 1
1 737 . 16 1 1 A 67 67 TYR H H 67 8.612 7.671 0.941 1
1 738 . 16 1 1 A 67 67 TYR HA H 67 5.417 4.880 0.537 1
1 745 . 16 1 1 A 67 67 TYR C C 67 176.403 175.049 1.354 1
1 746 . 16 1 1 A 67 67 TYR CA C 67 55.320 57.376 -2.056 1
1 747 . 16 1 1 A 67 67 TYR CB C 67 35.524 38.263 -2.739 1
1 752 . 16 1 1 A 67 67 TYR N N 67 118.042 119.034 -0.992 1
1 753 . 16 1 1 A 68 68 SER H H 68 6.652 7.759 -1.107 1
1 754 . 16 1 1 A 68 68 SER HA H 68 5.742 5.344 0.398 1
1 757 . 16 1 1 A 68 68 SER C C 68 174.827 173.823 1.004 1
1 758 . 16 1 1 A 68 68 SER CA C 68 56.147 56.039 0.108 1
1 759 . 16 1 1 A 68 68 SER CB C 68 65.504 65.713 -0.209 1
1 760 . 16 1 1 A 68 68 SER N N 68 111.076 112.942 -1.866 1
1 761 . 16 1 1 A 69 69 PHE H H 69 9.089 8.331 0.758 1
1 762 . 16 1 1 A 69 69 PHE HA H 69 5.212 5.713 -0.501 1
1 770 . 16 1 1 A 69 69 PHE C C 69 171.676 172.943 -1.267 1
1 771 . 16 1 1 A 69 69 PHE CA C 69 55.918 55.366 0.552 1
1 772 . 16 1 1 A 69 69 PHE CB C 69 41.034 42.084 -1.050 1
1 778 . 16 1 1 A 69 69 PHE N N 69 121.539 118.536 3.003 1
1 779 . 16 1 1 A 70 70 ARG H H 70 9.299 9.003 0.296 1
1 780 . 16 1 1 A 70 70 ARG HA H 70 5.333 5.122 0.211 1
1 787 . 16 1 1 A 70 70 ARG C C 70 174.197 174.261 -0.064 1
1 788 . 16 1 1 A 70 70 ARG CA C 70 54.198 54.382 -0.184 1
1 789 . 16 1 1 A 70 70 ARG CB C 70 35.236 34.115 1.121 1
1 792 . 16 1 1 A 70 70 ARG N N 70 117.458 118.303 -0.845 1
1 794 . 16 1 1 A 71 71 ILE H H 71 8.505 8.686 -0.181 1
1 795 . 16 1 1 A 71 71 ILE HA H 71 4.974 5.423 -0.449 1
1 805 . 16 1 1 A 71 71 ILE C C 71 174.996 174.886 0.110 1
1 806 . 16 1 1 A 71 71 ILE CA C 71 60.622 59.913 0.709 1
1 807 . 16 1 1 A 71 71 ILE CB C 71 39.636 41.062 -1.426 1
1 811 . 16 1 1 A 71 71 ILE N N 71 119.757 123.133 -3.376 1
1 812 . 16 1 1 A 72 72 LEU H H 72 9.488 9.178 0.310 1
1 813 . 16 1 1 A 72 72 LEU HA H 72 5.473 5.421 0.052 1
1 823 . 16 1 1 A 72 72 LEU C C 72 176.172 175.313 0.859 1
1 824 . 16 1 1 A 72 72 LEU CA C 72 53.507 54.057 -0.550 1
1 825 . 16 1 1 A 72 72 LEU CB C 72 46.393 46.163 0.230 1
1 829 . 16 1 1 A 72 72 LEU N N 72 128.277 125.233 3.044 1
1 830 . 16 1 1 A 73 73 HIS H H 73 9.087 9.327 -0.240 1
1 831 . 16 1 1 A 73 73 HIS HA H 73 4.888 4.949 -0.061 1
1 836 . 16 1 1 A 73 73 HIS C C 73 175.118 174.382 0.736 1
1 837 . 16 1 1 A 73 73 HIS CA C 73 56.675 55.577 1.098 1
1 838 . 16 1 1 A 73 73 HIS CB C 73 32.933 32.249 0.684 1
1 841 . 16 1 1 A 73 73 HIS N N 73 119.084 123.188 -4.104 1
1 842 . 16 1 1 A 74 74 LYS H H 74 9.551 9.656 -0.105 1
1 843 . 16 1 1 A 74 74 LYS HA H 74 3.763 3.796 -0.033 1
1 852 . 16 1 1 A 74 74 LYS C C 74 176.851 176.686 0.165 1
1 853 . 16 1 1 A 74 74 LYS CA C 74 56.969 57.526 -0.557 1
1 854 . 16 1 1 A 74 74 LYS CB C 74 29.766 29.861 -0.095 1
1 858 . 16 1 1 A 74 74 LYS N N 74 128.764 128.146 0.618 1
1 859 . 16 1 1 A 75 75 GLY H H 75 8.877 8.443 0.434 1
1 860 . 16 1 1 A 75 75 GLY HA2 H 75 3.523 3.874 -0.351 1
1 861 . 16 1 1 A 75 75 GLY HA3 H 75 4.213 3.875 0.338 1
1 862 . 16 1 1 A 75 75 GLY C C 75 173.566 173.911 -0.345 1
1 863 . 16 1 1 A 75 75 GLY CA C 75 45.346 45.160 0.186 1
1 864 . 16 1 1 A 75 75 GLY N N 75 104.552 105.293 -0.741 1
1 865 . 16 1 1 A 76 76 GLU H H 76 7.922 7.841 0.081 1
1 866 . 16 1 1 A 76 76 GLU HA H 76 4.491 4.602 -0.111 1
1 871 . 16 1 1 A 76 76 GLU C C 76 175.651 175.510 0.141 1
1 872 . 16 1 1 A 76 76 GLU CA C 76 54.721 55.248 -0.527 1
1 873 . 16 1 1 A 76 76 GLU CB C 76 31.187 30.908 0.279 1
1 875 . 16 1 1 A 76 76 GLU N N 76 121.492 120.324 1.168 1
1 876 . 16 1 1 A 77 77 GLU H H 77 8.925 8.708 0.217 1
1 877 . 16 1 1 A 77 77 GLU HA H 77 4.309 4.513 -0.204 1
1 881 . 16 1 1 A 77 77 GLU C C 77 175.857 175.765 0.092 1
1 882 . 16 1 1 A 77 77 GLU CA C 77 57.412 56.852 0.560 1
1 883 . 16 1 1 A 77 77 GLU CB C 77 31.146 29.923 1.223 1
1 885 . 16 1 1 A 77 77 GLU N N 77 125.541 122.748 2.793 1
1 886 . 16 1 1 A 78 78 LEU H H 78 9.475 8.926 0.549 1
1 887 . 16 1 1 A 78 78 LEU HA H 78 4.513 4.441 0.072 1
1 897 . 16 1 1 A 78 78 LEU C C 78 177.541 176.691 0.850 1
1 898 . 16 1 1 A 78 78 LEU CA C 78 55.443 56.029 -0.586 1
1 899 . 16 1 1 A 78 78 LEU CB C 78 43.776 42.848 0.928 1
1 903 . 16 1 1 A 78 78 LEU N N 78 128.715 128.187 0.528 1
1 904 . 16 1 1 A 79 79 ALA H H 79 7.550 7.531 0.019 1
1 905 . 16 1 1 A 79 79 ALA HA H 79 4.503 4.652 -0.149 1
1 909 . 16 1 1 A 79 79 ALA C C 79 174.342 175.299 -0.957 1
1 910 . 16 1 1 A 79 79 ALA CA C 79 51.906 51.585 0.321 1
1 911 . 16 1 1 A 79 79 ALA CB C 79 22.017 22.489 -0.472 1
1 912 . 16 1 1 A 79 79 ALA N N 79 116.317 116.493 -0.176 1
1 913 . 16 1 1 A 80 80 LYS H H 80 8.743 8.663 0.080 1
1 914 . 16 1 1 A 80 80 LYS HA H 80 4.725 4.927 -0.202 1
1 923 . 16 1 1 A 80 80 LYS C C 80 172.973 174.524 -1.551 1
1 924 . 16 1 1 A 80 80 LYS CA C 80 56.604 55.636 0.968 1
1 925 . 16 1 1 A 80 80 LYS CB C 80 34.331 36.080 -1.749 1
1 929 . 16 1 1 A 80 80 LYS N N 80 123.623 119.490 4.133 1
1 930 . 16 1 1 A 81 81 LEU H H 81 8.504 8.858 -0.354 1
1 931 . 16 1 1 A 81 81 LEU HA H 81 5.531 5.345 0.186 1
1 941 . 16 1 1 A 81 81 LEU C C 81 176.366 175.232 1.134 1
1 942 . 16 1 1 A 81 81 LEU CA C 81 53.665 53.206 0.459 1
1 943 . 16 1 1 A 81 81 LEU CB C 81 45.969 45.646 0.323 1
1 947 . 16 1 1 A 81 81 LEU N N 81 124.594 127.296 -2.702 1
1 948 . 16 1 1 A 82 82 GLU H H 82 9.018 8.280 0.738 1
1 949 . 16 1 1 A 82 82 GLU HA H 82 4.826 4.456 0.370 1
1 954 . 16 1 1 A 82 82 GLU C C 82 174.439 175.536 -1.097 1
1 955 . 16 1 1 A 82 82 GLU CA C 82 56.376 54.633 1.743 1
1 956 . 16 1 1 A 82 82 GLU CB C 82 32.852 32.751 0.101 1
1 958 . 16 1 1 A 82 82 GLU N N 82 118.819 121.265 -2.446 1
1 959 . 16 1 1 A 83 83 ALA H H 83 8.027 8.822 -0.795 1
1 960 . 16 1 1 A 83 83 ALA HA H 83 4.980 4.484 0.496 1
1 964 . 16 1 1 A 83 83 ALA C C 83 176.439 179.146 -2.707 1
1 965 . 16 1 1 A 83 83 ALA CA C 83 50.059 51.151 -1.092 1
1 966 . 16 1 1 A 83 83 ALA CB C 83 21.702 20.405 1.297 1
1 967 . 16 1 1 A 83 83 ALA N N 83 127.765 128.405 -0.640 1
1 968 . 16 1 1 A 84 84 LYS H H 84 9.017 8.538 0.479 1
1 969 . 16 1 1 A 84 84 LYS HA H 84 4.432 4.436 -0.004 1
1 977 . 16 1 1 A 84 84 LYS C C 84 175.930 176.208 -0.278 1
1 978 . 16 1 1 A 84 84 LYS CA C 84 56.956 56.803 0.153 1
1 979 . 16 1 1 A 84 84 LYS CB C 84 32.974 33.753 -0.779 1
1 983 . 16 1 1 A 84 84 LYS N N 84 115.456 116.500 -1.044 1
1 984 . 16 1 1 A 85 85 SER H H 85 7.324 7.658 -0.334 1
1 985 . 16 1 1 A 85 85 SER HA H 85 4.074 4.105 -0.031 1
1 988 . 16 1 1 A 85 85 SER C C 85 173.421 173.418 0.003 1
1 989 . 16 1 1 A 85 85 SER CA C 85 56.038 55.765 0.273 1
1 990 . 16 1 1 A 85 85 SER CB C 85 66.506 65.356 1.150 1
1 991 . 16 1 1 A 85 85 SER N N 85 110.261 114.718 -4.457 1
1 992 . 16 1 1 A 86 86 SER H H 86 8.610 7.791 0.819 1
1 993 . 16 1 1 A 86 86 SER HA H 86 3.648 4.000 -0.352 1
1 996 . 16 1 1 A 86 86 SER C C 86 177.784 176.523 1.261 1
1 997 . 16 1 1 A 86 86 SER CA C 86 61.391 61.586 -0.195 1
1 998 . 16 1 1 A 86 86 SER CB C 86 62.378 62.256 0.122 1
1 999 . 16 1 1 A 86 86 SER N N 86 117.136 117.550 -0.414 1
1 1000 . 16 1 1 A 87 87 GLU H H 87 8.890 7.976 0.914 1
1 1001 . 16 1 1 A 87 87 GLU HA H 87 4.031 3.994 0.037 1
1 1006 . 16 1 1 A 87 87 GLU C C 87 179.492 178.425 1.067 1
1 1007 . 16 1 1 A 87 87 GLU CA C 87 59.983 59.213 0.770 1
1 1008 . 16 1 1 A 87 87 GLU CB C 87 28.969 29.237 -0.268 1
1 1010 . 16 1 1 A 87 87 GLU N N 87 123.189 122.127 1.062 1
1 1011 . 16 1 1 A 88 88 GLU H H 88 8.015 8.109 -0.094 1
1 1012 . 16 1 1 A 88 88 GLU HA H 88 4.243 4.108 0.135 1
1 1017 . 16 1 1 A 88 88 GLU C C 88 178.472 178.743 -0.271 1
1 1018 . 16 1 1 A 88 88 GLU CA C 88 59.642 59.433 0.209 1
1 1019 . 16 1 1 A 88 88 GLU CB C 88 31.016 29.185 1.831 1
1 1021 . 16 1 1 A 88 88 GLU N N 88 121.015 119.639 1.376 1
1 1022 . 16 1 1 A 89 89 MET H H 89 8.334 8.466 -0.132 1
1 1023 . 16 1 1 A 89 89 MET HA H 89 3.843 4.332 -0.489 1
1 1030 . 16 1 1 A 89 89 MET C C 89 177.396 178.713 -1.317 1
1 1031 . 16 1 1 A 89 89 MET CA C 89 60.458 57.987 2.471 1
1 1032 . 16 1 1 A 89 89 MET CB C 89 32.481 32.451 0.030 1
1 1035 . 16 1 1 A 89 89 MET N N 89 119.764 119.184 0.580 1
1 1036 . 16 1 1 A 90 90 GLY H H 90 8.452 8.027 0.425 1
1 1037 . 16 1 1 A 90 90 GLY HA2 H 90 4.008 3.703 0.305 1
1 1038 . 16 1 1 A 90 90 GLY HA3 H 90 3.723 3.726 -0.003 1
1 1039 . 16 1 1 A 90 90 GLY C C 90 176.814 175.429 1.385 1
1 1040 . 16 1 1 A 90 90 GLY CA C 90 47.489 46.681 0.808 1
1 1041 . 16 1 1 A 90 90 GLY N N 90 105.180 108.279 -3.099 1
1 1042 . 16 1 1 A 91 91 HIS H H 91 7.919 8.084 -0.165 1
1 1043 . 16 1 1 A 91 91 HIS HA H 91 4.329 4.214 0.115 1
1 1048 . 16 1 1 A 91 91 HIS C C 91 178.208 176.963 1.245 1
1 1049 . 16 1 1 A 91 91 HIS CA C 91 59.367 58.585 0.782 1
1 1050 . 16 1 1 A 91 91 HIS CB C 91 30.612 30.108 0.504 1
1 1053 . 16 1 1 A 91 91 HIS N N 91 121.929 121.106 0.823 1
1 1054 . 16 1 1 A 92 92 TRP H H 92 8.199 7.241 0.958 1
1 1055 . 16 1 1 A 92 92 TRP HA H 92 3.829 4.254 -0.425 1
1 1064 . 16 1 1 A 92 92 TRP C C 92 178.257 178.444 -0.187 1
1 1065 . 16 1 1 A 92 92 TRP CA C 92 62.464 59.363 3.101 1
1 1066 . 16 1 1 A 92 92 TRP CB C 92 29.190 29.951 -0.761 1
1 1072 . 16 1 1 A 92 92 TRP N N 92 120.070 117.430 2.640 1
1 1074 . 16 1 1 A 93 93 LEU H H 93 8.740 8.021 0.719 1
1 1075 . 16 1 1 A 93 93 LEU HA H 93 3.695 3.681 0.014 1
1 1085 . 16 1 1 A 93 93 LEU C C 93 179.105 179.200 -0.095 1
1 1086 . 16 1 1 A 93 93 LEU CA C 93 59.076 58.177 0.899 1
1 1087 . 16 1 1 A 93 93 LEU CB C 93 40.993 41.582 -0.589 1
1 1091 . 16 1 1 A 93 93 LEU N N 93 119.445 120.082 -0.637 1
1 1092 . 16 1 1 A 94 94 GLY H H 94 7.616 8.009 -0.393 1
1 1093 . 16 1 1 A 94 94 GLY HA2 H 94 3.852 3.583 0.269 1
1 1094 . 16 1 1 A 94 94 GLY HA3 H 94 3.759 3.608 0.151 1
1 1095 . 16 1 1 A 94 94 GLY C C 94 176.693 175.543 1.150 1
1 1096 . 16 1 1 A 94 94 GLY CA C 94 47.120 47.270 -0.150 1
1 1097 . 16 1 1 A 94 94 GLY N N 94 102.951 105.518 -2.567 1
1 1098 . 16 1 1 A 95 95 LEU H H 95 7.853 7.978 -0.125 1
1 1099 . 16 1 1 A 95 95 LEU HA H 95 4.024 3.886 0.138 1
1 1109 . 16 1 1 A 95 95 LEU C C 95 179.589 178.650 0.939 1
1 1110 . 16 1 1 A 95 95 LEU CA C 95 57.678 57.040 0.638 1
1 1111 . 16 1 1 A 95 95 LEU CB C 95 42.533 41.163 1.370 1
1 1115 . 16 1 1 A 95 95 LEU N N 95 123.479 122.758 0.721 1
1 1116 . 16 1 1 A 96 96 LEU H H 96 8.649 8.204 0.445 1
1 1117 . 16 1 1 A 96 96 LEU HA H 96 3.971 4.139 -0.168 1
1 1127 . 16 1 1 A 96 96 LEU C C 96 179.068 179.300 -0.232 1
1 1128 . 16 1 1 A 96 96 LEU CA C 96 57.906 57.600 0.306 1
1 1129 . 16 1 1 A 96 96 LEU CB C 96 42.104 41.422 0.682 1
1 1133 . 16 1 1 A 96 96 LEU N N 96 118.046 118.417 -0.371 1
1 1134 . 16 1 1 A 97 97 LEU H H 97 8.198 8.220 -0.022 1
1 1135 . 16 1 1 A 97 97 LEU HA H 97 4.234 3.971 0.263 1
1 1145 . 16 1 1 A 97 97 LEU C C 97 180.177 178.780 1.397 1
1 1146 . 16 1 1 A 97 97 LEU CA C 97 57.361 58.005 -0.644 1
1 1147 . 16 1 1 A 97 97 LEU CB C 97 41.611 41.753 -0.142 1
1 1151 . 16 1 1 A 97 97 LEU N N 97 118.670 119.378 -0.708 1
1 1152 . 16 1 1 A 98 98 SER H H 98 7.818 8.119 -0.301 1
1 1153 . 16 1 1 A 98 98 SER HA H 98 4.328 4.024 0.304 1
1 1156 . 16 1 1 A 98 98 SER C C 98 176.863 177.097 -0.234 1
1 1157 . 16 1 1 A 98 98 SER CA C 98 61.004 61.595 -0.591 1
1 1158 . 16 1 1 A 98 98 SER CB C 98 63.322 62.942 0.380 1
1 1159 . 16 1 1 A 98 98 SER N N 98 115.679 113.127 2.552 1
1 1160 . 16 1 1 A 99 99 GLU H H 99 8.003 8.086 -0.083 1
1 1161 . 16 1 1 A 99 99 GLU HA H 99 4.193 4.138 0.055 1
1 1166 . 16 1 1 A 99 99 GLU C C 99 177.226 177.990 -0.764 1
1 1167 . 16 1 1 A 99 99 GLU CA C 99 57.449 59.154 -1.705 1
1 1168 . 16 1 1 A 99 99 GLU CB C 99 30.260 29.731 0.529 1
1 1170 . 16 1 1 A 99 99 GLU N N 99 120.518 122.180 -1.662 1
1 1171 . 16 1 1 A 100 100 SER H H 100 7.892 8.592 -0.700 1
1 1172 . 16 1 1 A 100 100 SER HA H 100 4.582 4.359 0.223 1
1 1175 . 16 1 1 A 100 100 SER C C 100 175.881 174.533 1.348 1
1 1176 . 16 1 1 A 100 100 SER CA C 100 59.561 58.015 1.546 1
1 1177 . 16 1 1 A 100 100 SER CB C 100 64.188 62.483 1.705 1
1 1178 . 16 1 1 A 100 100 SER N N 100 113.686 113.802 -0.116 1
1 1179 . 16 1 1 A 101 101 GLY H H 101 7.861 8.339 -0.478 1
1 1180 . 16 1 1 A 101 101 GLY HA2 H 101 4.114 4.007 0.107 1
1 1181 . 16 1 1 A 101 101 GLY HA3 H 101 4.063 4.012 0.051 1
1 1182 . 16 1 1 A 101 101 GLY C C 101 174.076 174.544 -0.468 1
1 1183 . 16 1 1 A 101 101 GLY CA C 101 45.501 45.984 -0.483 1
1 1184 . 16 1 1 A 101 101 GLY N N 101 109.148 110.459 -1.311 1
1 1185 . 16 1 1 A 102 102 SER H H 102 8.260 7.828 0.432 1
1 1186 . 16 1 1 A 102 102 SER HA H 102 4.543 4.335 0.208 1
1 1189 . 16 1 1 A 102 102 SER C C 102 174.851 174.817 0.034 1
1 1190 . 16 1 1 A 102 102 SER CA C 102 58.646 59.175 -0.529 1
1 1191 . 16 1 1 A 102 102 SER CB C 102 64.211 63.425 0.786 1
1 1192 . 16 1 1 A 102 102 SER N N 102 116.298 116.150 0.148 1
1 1193 . 16 1 1 A 103 103 GLY H H 103 8.252 8.611 -0.359 1
1 1194 . 16 1 1 A 103 103 GLY HA2 H 103 4.173 3.967 0.206 1
1 1195 . 16 1 1 A 103 103 GLY HA3 H 103 4.074 3.970 0.104 1
1 1196 . 16 1 1 A 103 103 GLY C C 103 171.773 174.551 -2.778 1
1 1197 . 16 1 1 A 103 103 GLY CA C 103 44.777 45.549 -0.772 1
1 1198 . 16 1 1 A 103 103 GLY N N 103 110.162 115.070 -4.908 1
1 1199 . 16 1 1 A 104 104 PRO HA H 104 4.515 4.449 0.066 1
1 1206 . 16 1 1 A 104 104 PRO CA C 104 63.224 64.736 -1.512 1
1 1207 . 16 1 1 A 104 104 PRO CB C 104 32.174 32.197 -0.023 1
1 1210 . 16 1 1 A 105 105 SER H H 105 8.559 7.775 0.784 1
1 1211 . 16 1 1 A 105 105 SER CA C 105 60.998 56.180 4.818 1
1 1212 . 16 1 1 A 105 105 SER CB C 105 63.768 65.064 -1.296 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.952 4.116 -0.164 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.952 4.124 -0.172 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.197 172.527 1.670 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.378 45.072 0.306 1
1 5 . 17 1 1 A 8 8 LEU H H 8 8.030 8.704 -0.674 1
1 6 . 17 1 1 A 8 8 LEU HA H 8 4.321 4.797 -0.476 1
1 16 . 17 1 1 A 8 8 LEU C C 8 177.468 174.305 3.163 1
1 17 . 17 1 1 A 8 8 LEU CA C 8 55.320 54.523 0.797 1
1 18 . 17 1 1 A 8 8 LEU CB C 8 42.556 46.026 -3.470 1
1 22 . 17 1 1 A 8 8 LEU N N 8 121.494 126.466 -4.972 1
1 23 . 17 1 1 A 9 9 GLU H H 9 8.577 8.904 -0.327 1
1 24 . 17 1 1 A 9 9 GLU HA H 9 4.454 4.572 -0.118 1
1 29 . 17 1 1 A 9 9 GLU C C 9 177.056 177.761 -0.705 1
1 30 . 17 1 1 A 9 9 GLU CA C 9 56.956 54.671 2.285 1
1 31 . 17 1 1 A 9 9 GLU CB C 9 30.237 31.419 -1.182 1
1 33 . 17 1 1 A 9 9 GLU N N 9 121.449 126.126 -4.677 1
1 34 . 17 1 1 A 10 10 THR H H 10 8.189 8.819 -0.630 1
1 35 . 17 1 1 A 10 10 THR HA H 10 4.323 3.908 0.415 1
1 40 . 17 1 1 A 10 10 THR CA C 10 62.062 65.589 -3.527 1
1 41 . 17 1 1 A 10 10 THR CB C 10 69.441 68.177 1.264 1
1 43 . 17 1 1 A 10 10 THR N N 10 113.730 116.850 -3.120 1
1 44 . 17 1 1 A 11 11 SER H H 11 7.883 7.797 0.086 1
1 45 . 17 1 1 A 11 11 SER HA H 11 5.249 4.711 0.538 1
1 48 . 17 1 1 A 11 11 SER CA C 11 57.852 59.035 -1.183 1
1 49 . 17 1 1 A 11 11 SER CB C 11 65.426 63.671 1.755 1
1 50 . 17 1 1 A 12 12 SER H H 12 8.413 9.095 -0.682 1
1 51 . 17 1 1 A 12 12 SER HA H 12 4.467 5.006 -0.539 1
1 54 . 17 1 1 A 12 12 SER CA C 12 58.741 56.422 2.319 1
1 55 . 17 1 1 A 12 12 SER CB C 12 65.239 66.149 -0.910 1
1 56 . 17 1 1 A 12 12 SER N N 12 116.995 118.807 -1.812 1
1 57 . 17 1 1 A 13 13 TYR H H 13 8.156 8.709 -0.553 1
1 58 . 17 1 1 A 13 13 TYR HA H 13 4.936 4.523 0.413 1
1 65 . 17 1 1 A 13 13 TYR CA C 13 58.533 58.126 0.407 1
1 68 . 17 1 1 A 13 13 TYR N N 13 121.972 125.931 -3.959 1
1 69 . 17 1 1 A 14 14 LEU H H 14 8.803 8.592 0.211 1
1 70 . 17 1 1 A 14 14 LEU HA H 14 4.573 4.855 -0.282 1
1 80 . 17 1 1 A 14 14 LEU C C 14 175.845 175.308 0.537 1
1 81 . 17 1 1 A 14 14 LEU CA C 14 54.141 53.303 0.838 1
1 82 . 17 1 1 A 14 14 LEU CB C 14 46.603 45.550 1.053 1
1 86 . 17 1 1 A 14 14 LEU N N 14 123.967 128.478 -4.511 1
1 87 . 17 1 1 A 15 15 ASN H H 15 8.090 8.670 -0.580 1
1 88 . 17 1 1 A 15 15 ASN HA H 15 5.669 5.246 0.423 1
1 93 . 17 1 1 A 15 15 ASN C C 15 174.972 174.336 0.636 1
1 94 . 17 1 1 A 15 15 ASN CA C 15 51.589 52.115 -0.526 1
1 95 . 17 1 1 A 15 15 ASN CB C 15 40.317 39.991 0.326 1
1 96 . 17 1 1 A 15 15 ASN N N 15 117.248 119.338 -2.090 1
1 98 . 17 1 1 A 16 16 VAL H H 16 9.452 8.988 0.464 1
1 99 . 17 1 1 A 16 16 VAL HA H 16 4.743 4.776 -0.033 1
1 107 . 17 1 1 A 16 16 VAL C C 16 174.269 174.935 -0.666 1
1 108 . 17 1 1 A 16 16 VAL CA C 16 60.574 61.815 -1.241 1
1 109 . 17 1 1 A 16 16 VAL CB C 16 35.194 32.768 2.426 1
1 112 . 17 1 1 A 16 16 VAL N N 16 122.909 125.644 -2.735 1
1 113 . 17 1 1 A 17 17 LEU H H 17 7.892 8.861 -0.969 1
1 114 . 17 1 1 A 17 17 LEU HA H 17 3.679 4.359 -0.680 1
1 124 . 17 1 1 A 17 17 LEU C C 17 175.747 175.654 0.093 1
1 125 . 17 1 1 A 17 17 LEU CA C 17 54.493 54.243 0.250 1
1 126 . 17 1 1 A 17 17 LEU CB C 17 40.541 41.953 -1.412 1
1 130 . 17 1 1 A 17 17 LEU N N 17 130.093 129.324 0.769 1
1 131 . 17 1 1 A 18 18 VAL H H 18 8.923 8.469 0.454 1
1 132 . 17 1 1 A 18 18 VAL HA H 18 4.053 4.018 0.035 1
1 140 . 17 1 1 A 18 18 VAL C C 18 175.869 175.278 0.591 1
1 141 . 17 1 1 A 18 18 VAL CA C 18 61.285 63.522 -2.237 1
1 142 . 17 1 1 A 18 18 VAL CB C 18 33.609 32.387 1.222 1
1 145 . 17 1 1 A 18 18 VAL N N 18 130.417 126.718 3.699 1
1 146 . 17 1 1 A 19 19 ASN H H 19 9.323 8.254 1.069 1
1 147 . 17 1 1 A 19 19 ASN HA H 19 4.232 4.881 -0.649 1
1 152 . 17 1 1 A 19 19 ASN C C 19 174.948 175.278 -0.330 1
1 153 . 17 1 1 A 19 19 ASN CA C 19 54.809 51.713 3.096 1
1 154 . 17 1 1 A 19 19 ASN CB C 19 37.192 37.156 0.036 1
1 155 . 17 1 1 A 19 19 ASN N N 19 127.579 119.311 8.268 1
1 157 . 17 1 1 A 20 20 SER H H 20 8.464 8.221 0.243 1
1 158 . 17 1 1 A 20 20 SER HA H 20 3.653 3.938 -0.285 1
1 161 . 17 1 1 A 20 20 SER C C 20 172.645 172.860 -0.215 1
1 162 . 17 1 1 A 20 20 SER CA C 20 60.458 59.266 1.192 1
1 163 . 17 1 1 A 20 20 SER CB C 20 62.584 62.170 0.414 1
1 164 . 17 1 1 A 20 20 SER N N 20 106.869 115.305 -8.436 1
1 165 . 17 1 1 A 21 21 GLN H H 21 7.695 7.356 0.339 1
1 166 . 17 1 1 A 21 21 GLN HA H 21 4.591 4.700 -0.109 1
1 173 . 17 1 1 A 21 21 GLN C C 21 174.003 174.572 -0.569 1
1 174 . 17 1 1 A 21 21 GLN CA C 21 53.772 54.335 -0.563 1
1 175 . 17 1 1 A 21 21 GLN CB C 21 32.069 32.554 -0.485 1
1 177 . 17 1 1 A 21 21 GLN N N 21 120.372 117.965 2.407 1
1 179 . 17 1 1 A 22 22 TRP H H 22 8.743 8.924 -0.181 1
1 180 . 17 1 1 A 22 22 TRP HA H 22 4.690 4.930 -0.240 1
1 189 . 17 1 1 A 22 22 TRP C C 22 176.863 176.208 0.655 1
1 190 . 17 1 1 A 22 22 TRP CA C 22 57.062 57.294 -0.232 1
1 191 . 17 1 1 A 22 22 TRP CB C 22 29.323 30.275 -0.952 1
1 197 . 17 1 1 A 22 22 TRP N N 22 124.919 122.457 2.462 1
1 199 . 17 1 1 A 23 23 LYS H H 23 9.302 9.364 -0.062 1
1 200 . 17 1 1 A 23 23 LYS HA H 23 4.798 4.774 0.024 1
1 208 . 17 1 1 A 23 23 LYS C C 23 176.050 175.932 0.118 1
1 209 . 17 1 1 A 23 23 LYS CA C 23 54.106 54.622 -0.516 1
1 210 . 17 1 1 A 23 23 LYS CB C 23 35.583 34.942 0.641 1
1 214 . 17 1 1 A 23 23 LYS N N 23 124.474 124.968 -0.494 1
1 215 . 17 1 1 A 24 24 SER H H 24 8.740 8.755 -0.015 1
1 216 . 17 1 1 A 24 24 SER HA H 24 5.035 4.497 0.538 1
1 219 . 17 1 1 A 24 24 SER C C 24 175.905 174.244 1.661 1
1 220 . 17 1 1 A 24 24 SER CA C 24 58.857 58.094 0.763 1
1 221 . 17 1 1 A 24 24 SER CB C 24 63.489 63.573 -0.084 1
1 222 . 17 1 1 A 24 24 SER N N 24 118.568 120.175 -1.607 1
1 223 . 17 1 1 A 25 25 ARG H H 25 9.302 8.173 1.129 1
1 224 . 17 1 1 A 25 25 ARG HA H 25 4.946 5.064 -0.118 1
1 231 . 17 1 1 A 25 25 ARG C C 25 173.724 174.147 -0.423 1
1 232 . 17 1 1 A 25 25 ARG CA C 25 54.440 54.557 -0.117 1
1 233 . 17 1 1 A 25 25 ARG CB C 25 34.825 34.003 0.822 1
1 236 . 17 1 1 A 25 25 ARG N N 25 126.895 121.109 5.786 1
1 237 . 17 1 1 A 26 26 TRP H H 26 8.668 9.370 -0.702 1
1 238 . 17 1 1 A 26 26 TRP HA H 26 4.780 4.931 -0.151 1
1 247 . 17 1 1 A 26 26 TRP C C 26 175.796 175.100 0.696 1
1 248 . 17 1 1 A 26 26 TRP CA C 26 57.555 57.049 0.506 1
1 249 . 17 1 1 A 26 26 TRP CB C 26 29.833 30.233 -0.400 1
1 255 . 17 1 1 A 26 26 TRP N N 26 123.493 123.780 -0.287 1
1 257 . 17 1 1 A 27 27 CYS H H 27 8.884 8.823 0.061 1
1 258 . 17 1 1 A 27 27 CYS HA H 27 5.668 5.135 0.533 1
1 261 . 17 1 1 A 27 27 CYS C C 27 174.560 174.264 0.296 1
1 262 . 17 1 1 A 27 27 CYS CA C 27 58.184 57.835 0.349 1
1 263 . 17 1 1 A 27 27 CYS CB C 27 31.516 29.392 2.124 1
1 264 . 17 1 1 A 27 27 CYS N N 27 124.947 128.077 -3.130 1
1 265 . 17 1 1 A 28 28 SER H H 28 8.566 8.616 -0.050 1
1 266 . 17 1 1 A 28 28 SER HA H 28 5.240 5.488 -0.248 1
1 269 . 17 1 1 A 28 28 SER C C 28 173.106 173.111 -0.005 1
1 270 . 17 1 1 A 28 28 SER CA C 28 57.027 58.069 -1.042 1
1 271 . 17 1 1 A 28 28 SER CB C 28 66.738 65.826 0.912 1
1 272 . 17 1 1 A 28 28 SER N N 28 114.751 120.608 -5.857 1
1 273 . 17 1 1 A 29 29 VAL H H 29 8.843 9.135 -0.292 1
1 274 . 17 1 1 A 29 29 VAL HA H 29 5.302 5.284 0.018 1
1 282 . 17 1 1 A 29 29 VAL C C 29 175.905 175.464 0.441 1
1 283 . 17 1 1 A 29 29 VAL CA C 29 61.233 61.385 -0.152 1
1 284 . 17 1 1 A 29 29 VAL CB C 29 32.832 33.363 -0.531 1
1 287 . 17 1 1 A 29 29 VAL N N 29 125.688 127.997 -2.309 1
1 288 . 17 1 1 A 30 30 ARG H H 30 8.964 9.067 -0.103 1
1 289 . 17 1 1 A 30 30 ARG HA H 30 4.620 4.564 0.056 1
1 295 . 17 1 1 A 30 30 ARG C C 30 176.160 175.273 0.887 1
1 296 . 17 1 1 A 30 30 ARG CA C 30 55.901 56.364 -0.463 1
1 297 . 17 1 1 A 30 30 ARG CB C 30 33.198 33.123 0.075 1
1 300 . 17 1 1 A 30 30 ARG N N 30 125.513 125.507 0.006 1
1 301 . 17 1 1 A 31 31 ASP H H 31 9.773 9.628 0.145 1
1 302 . 17 1 1 A 31 31 ASP HA H 31 4.451 4.357 0.094 1
1 305 . 17 1 1 A 31 31 ASP C C 31 177.008 175.224 1.784 1
1 306 . 17 1 1 A 31 31 ASP CA C 31 55.936 55.221 0.715 1
1 307 . 17 1 1 A 31 31 ASP CB C 31 39.659 39.641 0.018 1
1 308 . 17 1 1 A 31 31 ASP N N 31 127.085 126.272 0.813 1
1 309 . 17 1 1 A 32 32 ASN H H 32 9.639 8.642 0.997 1
1 310 . 17 1 1 A 32 32 ASN HA H 32 4.535 4.313 0.222 1
1 315 . 17 1 1 A 32 32 ASN C C 32 172.766 173.872 -1.106 1
1 316 . 17 1 1 A 32 32 ASN CA C 32 55.549 54.627 0.922 1
1 317 . 17 1 1 A 32 32 ASN CB C 32 38.238 37.069 1.169 1
1 318 . 17 1 1 A 32 32 ASN N N 32 112.101 109.413 2.688 1
1 320 . 17 1 1 A 33 33 HIS H H 33 8.292 7.806 0.486 1
1 321 . 17 1 1 A 33 33 HIS HA H 33 5.368 5.316 0.052 1
1 326 . 17 1 1 A 33 33 HIS C C 33 172.718 173.304 -0.586 1
1 327 . 17 1 1 A 33 33 HIS CA C 33 55.303 54.531 0.772 1
1 328 . 17 1 1 A 33 33 HIS CB C 33 32.851 34.061 -1.210 1
1 331 . 17 1 1 A 33 33 HIS N N 33 116.294 116.191 0.103 1
1 332 . 17 1 1 A 34 34 LEU H H 34 8.987 9.123 -0.136 1
1 333 . 17 1 1 A 34 34 LEU HA H 34 4.784 4.928 -0.144 1
1 342 . 17 1 1 A 34 34 LEU C C 34 173.240 174.875 -1.635 1
1 343 . 17 1 1 A 34 34 LEU CA C 34 53.719 53.605 0.114 1
1 344 . 17 1 1 A 34 34 LEU CB C 34 45.147 43.761 1.386 1
1 348 . 17 1 1 A 34 34 LEU N N 34 122.961 125.230 -2.269 1
1 349 . 17 1 1 A 35 35 HIS H H 35 9.169 9.727 -0.558 1
1 350 . 17 1 1 A 35 35 HIS HA H 35 4.713 4.915 -0.202 1
1 355 . 17 1 1 A 35 35 HIS C C 35 174.778 174.790 -0.012 1
1 356 . 17 1 1 A 35 35 HIS CA C 35 55.284 56.084 -0.800 1
1 357 . 17 1 1 A 35 35 HIS CB C 35 34.455 31.077 3.378 1
1 360 . 17 1 1 A 35 35 HIS N N 35 125.201 126.169 -0.968 1
1 361 . 17 1 1 A 36 36 PHE H H 36 9.522 9.060 0.462 1
1 362 . 17 1 1 A 36 36 PHE HA H 36 5.014 5.246 -0.232 1
1 370 . 17 1 1 A 36 36 PHE C C 36 174.911 173.982 0.929 1
1 371 . 17 1 1 A 36 36 PHE CA C 36 56.217 55.708 0.509 1
1 372 . 17 1 1 A 36 36 PHE CB C 36 43.666 41.321 2.345 1
1 378 . 17 1 1 A 36 36 PHE N N 36 118.294 120.185 -1.891 1
1 379 . 17 1 1 A 37 37 TYR H H 37 9.783 8.801 0.982 1
1 380 . 17 1 1 A 37 37 TYR HA H 37 5.453 5.130 0.323 1
1 387 . 17 1 1 A 37 37 TYR C C 37 176.475 175.496 0.979 1
1 388 . 17 1 1 A 37 37 TYR CA C 37 57.185 56.759 0.426 1
1 389 . 17 1 1 A 37 37 TYR CB C 37 41.569 43.916 -2.347 1
1 394 . 17 1 1 A 37 37 TYR N N 37 121.241 120.772 0.469 1
1 395 . 17 1 1 A 38 38 GLN H H 38 9.233 9.023 0.210 1
1 396 . 17 1 1 A 38 38 GLN HA H 38 4.480 4.743 -0.263 1
1 403 . 17 1 1 A 38 38 GLN C C 38 175.408 175.416 -0.008 1
1 404 . 17 1 1 A 38 38 GLN CA C 38 57.977 57.038 0.939 1
1 405 . 17 1 1 A 38 38 GLN CB C 38 29.825 31.219 -1.394 1
1 407 . 17 1 1 A 38 38 GLN N N 38 119.348 120.170 -0.822 1
1 409 . 17 1 1 A 39 39 ASP H H 39 8.674 8.056 0.618 1
1 410 . 17 1 1 A 39 39 ASP HA H 39 4.849 4.688 0.161 1
1 413 . 17 1 1 A 39 39 ASP CA C 39 52.402 53.148 -0.746 1
1 414 . 17 1 1 A 39 39 ASP CB C 39 43.525 42.595 0.930 1
1 415 . 17 1 1 A 40 40 ARG H H 40 7.823 8.818 -0.995 1
1 416 . 17 1 1 A 40 40 ARG HA H 40 2.342 3.449 -1.107 1
1 423 . 17 1 1 A 40 40 ARG CA C 40 57.183 58.626 -1.443 1
1 424 . 17 1 1 A 40 40 ARG CB C 40 29.300 29.969 -0.669 1
1 427 . 17 1 1 A 40 40 ARG N N 40 119.412 122.156 -2.744 1
1 428 . 17 1 1 A 41 41 ASN H H 41 7.601 7.700 -0.099 1
1 429 . 17 1 1 A 41 41 ASN HA H 41 4.408 4.657 -0.249 1
1 434 . 17 1 1 A 41 41 ASN C C 41 174.584 174.640 -0.056 1
1 435 . 17 1 1 A 41 41 ASN CA C 41 53.396 51.666 1.730 1
1 436 . 17 1 1 A 41 41 ASN CB C 41 37.847 37.849 -0.002 1
1 437 . 17 1 1 A 41 41 ASN N N 41 114.895 118.005 -3.110 1
1 439 . 17 1 1 A 42 42 ARG H H 42 7.927 7.653 0.274 1
1 440 . 17 1 1 A 42 42 ARG HA H 42 3.271 3.846 -0.575 1
1 446 . 17 1 1 A 42 42 ARG CA C 42 57.164 56.722 0.442 1
1 449 . 17 1 1 A 42 42 ARG N N 42 115.263 115.833 -0.570 1
1 450 . 17 1 1 A 43 43 SER H H 43 9.112 7.812 1.300 1
1 451 . 17 1 1 A 43 43 SER HA H 43 4.444 4.207 0.237 1
1 454 . 17 1 1 A 43 43 SER CA C 43 59.742 61.885 -2.143 1
1 455 . 17 1 1 A 43 43 SER CB C 43 64.693 63.235 1.458 1
1 456 . 17 1 1 A 43 43 SER N N 43 115.094 113.419 1.675 1
1 457 . 17 1 1 A 44 44 LYS H H 44 8.543 8.375 0.168 1
1 458 . 17 1 1 A 44 44 LYS HA H 44 4.784 4.617 0.167 1
1 464 . 17 1 1 A 44 44 LYS C C 44 175.723 175.657 0.066 1
1 465 . 17 1 1 A 44 44 LYS CA C 44 55.091 54.916 0.175 1
1 466 . 17 1 1 A 44 44 LYS CB C 44 34.642 32.739 1.903 1
1 470 . 17 1 1 A 45 45 VAL H H 45 8.965 9.060 -0.095 1
1 471 . 17 1 1 A 45 45 VAL HA H 45 4.043 4.105 -0.062 1
1 479 . 17 1 1 A 45 45 VAL C C 45 176.656 176.401 0.255 1
1 480 . 17 1 1 A 45 45 VAL CA C 45 63.883 63.259 0.624 1
1 481 . 17 1 1 A 45 45 VAL CB C 45 32.621 30.878 1.743 1
1 484 . 17 1 1 A 45 45 VAL N N 45 127.663 126.218 1.445 1
1 485 . 17 1 1 A 46 46 ALA H H 46 9.214 8.747 0.467 1
1 486 . 17 1 1 A 46 46 ALA HA H 46 4.523 4.060 0.463 1
1 490 . 17 1 1 A 46 46 ALA C C 46 176.560 177.244 -0.684 1
1 491 . 17 1 1 A 46 46 ALA CA C 46 52.610 55.538 -2.928 1
1 492 . 17 1 1 A 46 46 ALA CB C 46 20.929 19.229 1.700 1
1 493 . 17 1 1 A 46 46 ALA N N 46 129.165 131.415 -2.250 1
1 494 . 17 1 1 A 47 47 GLN H H 47 7.504 7.546 -0.042 1
1 495 . 17 1 1 A 47 47 GLN HA H 47 4.494 4.493 0.001 1
1 502 . 17 1 1 A 47 47 GLN C C 47 173.057 174.402 -1.345 1
1 503 . 17 1 1 A 47 47 GLN CA C 47 54.458 54.809 -0.351 1
1 504 . 17 1 1 A 47 47 GLN CB C 47 30.918 30.342 0.576 1
1 506 . 17 1 1 A 47 47 GLN N N 47 112.591 110.474 2.117 1
1 508 . 17 1 1 A 48 48 GLN H H 48 8.541 8.212 0.329 1
1 509 . 17 1 1 A 48 48 GLN HA H 48 4.420 4.370 0.050 1
1 516 . 17 1 1 A 48 48 GLN C C 48 172.864 174.145 -1.281 1
1 517 . 17 1 1 A 48 48 GLN CA C 48 54.774 54.692 0.082 1
1 518 . 17 1 1 A 48 48 GLN CB C 48 28.017 27.938 0.079 1
1 520 . 17 1 1 A 48 48 GLN N N 48 120.933 120.005 0.928 1
1 522 . 17 1 1 A 49 49 PRO HA H 49 4.963 4.797 0.166 1
1 529 . 17 1 1 A 49 49 PRO C C 49 177.105 175.284 1.821 1
1 530 . 17 1 1 A 49 49 PRO CA C 49 63.010 62.351 0.659 1
1 531 . 17 1 1 A 49 49 PRO CB C 49 32.625 32.525 0.100 1
1 534 . 17 1 1 A 50 50 LEU H H 50 8.937 8.849 0.088 1
1 535 . 17 1 1 A 50 50 LEU HA H 50 4.742 5.034 -0.292 1
1 545 . 17 1 1 A 50 50 LEU C C 50 176.147 175.524 0.623 1
1 546 . 17 1 1 A 50 50 LEU CA C 50 53.120 53.257 -0.137 1
1 547 . 17 1 1 A 50 50 LEU CB C 50 45.352 45.582 -0.230 1
1 551 . 17 1 1 A 50 50 LEU N N 50 121.454 122.036 -0.582 1
1 552 . 17 1 1 A 51 51 SER H H 51 8.771 8.849 -0.078 1
1 553 . 17 1 1 A 51 51 SER HA H 51 3.434 4.070 -0.636 1
1 556 . 17 1 1 A 51 51 SER C C 51 175.081 174.440 0.641 1
1 557 . 17 1 1 A 51 51 SER CA C 51 57.936 57.147 0.789 1
1 558 . 17 1 1 A 51 51 SER CB C 51 62.378 62.351 0.027 1
1 559 . 17 1 1 A 51 51 SER N N 51 120.178 118.443 1.735 1
1 560 . 17 1 1 A 52 52 LEU H H 52 8.045 7.502 0.543 1
1 561 . 17 1 1 A 52 52 LEU HA H 52 4.443 4.006 0.437 1
1 571 . 17 1 1 A 52 52 LEU C C 52 177.916 177.642 0.274 1
1 572 . 17 1 1 A 52 52 LEU CA C 52 55.105 57.582 -2.477 1
1 573 . 17 1 1 A 52 52 LEU CB C 52 42.762 41.502 1.260 1
1 577 . 17 1 1 A 52 52 LEU N N 52 125.348 128.156 -2.808 1
1 578 . 17 1 1 A 53 53 VAL H H 53 7.418 7.289 0.129 1
1 579 . 17 1 1 A 53 53 VAL HA H 53 3.841 3.864 -0.023 1
1 587 . 17 1 1 A 53 53 VAL C C 53 178.123 177.112 1.011 1
1 588 . 17 1 1 A 53 53 VAL CA C 53 64.893 64.500 0.393 1
1 589 . 17 1 1 A 53 53 VAL CB C 53 30.973 30.855 0.118 1
1 592 . 17 1 1 A 53 53 VAL N N 53 119.590 118.842 0.748 1
1 593 . 17 1 1 A 54 54 GLY H H 54 9.187 8.484 0.703 1
1 594 . 17 1 1 A 54 54 GLY HA2 H 54 4.292 4.007 0.285 1
1 595 . 17 1 1 A 54 54 GLY HA3 H 54 3.934 4.144 -0.210 1
1 596 . 17 1 1 A 54 54 GLY C C 54 175.275 174.323 0.952 1
1 597 . 17 1 1 A 54 54 GLY CA C 54 45.906 45.115 0.791 1
1 598 . 17 1 1 A 54 54 GLY N N 54 115.764 115.105 0.659 1
1 599 . 17 1 1 A 55 55 CYS H H 55 7.871 7.900 -0.029 1
1 600 . 17 1 1 A 55 55 CYS HA H 55 5.052 4.920 0.132 1
1 603 . 17 1 1 A 55 55 CYS C C 55 174.112 173.248 0.864 1
1 604 . 17 1 1 A 55 55 CYS CA C 55 60.352 58.324 2.028 1
1 605 . 17 1 1 A 55 55 CYS CB C 55 28.779 30.945 -2.166 1
1 606 . 17 1 1 A 55 55 CYS N N 55 117.748 119.284 -1.536 1
1 607 . 17 1 1 A 56 56 GLU H H 56 9.140 8.852 0.288 1
1 608 . 17 1 1 A 56 56 GLU HA H 56 4.672 4.835 -0.163 1
1 612 . 17 1 1 A 56 56 GLU C C 56 175.105 174.497 0.608 1
1 613 . 17 1 1 A 56 56 GLU CA C 56 55.179 55.607 -0.428 1
1 614 . 17 1 1 A 56 56 GLU CB C 56 33.097 33.387 -0.290 1
1 616 . 17 1 1 A 56 56 GLU N N 56 120.179 122.073 -1.894 1
1 617 . 17 1 1 A 57 57 VAL H H 57 8.385 8.895 -0.510 1
1 618 . 17 1 1 A 57 57 VAL HA H 57 5.238 4.560 0.678 1
1 626 . 17 1 1 A 57 57 VAL C C 57 175.238 175.842 -0.604 1
1 627 . 17 1 1 A 57 57 VAL CA C 57 61.064 62.353 -1.289 1
1 628 . 17 1 1 A 57 57 VAL CB C 57 33.429 31.658 1.771 1
1 631 . 17 1 1 A 57 57 VAL N N 57 122.535 127.336 -4.801 1
1 632 . 17 1 1 A 58 58 VAL H H 58 8.884 9.049 -0.165 1
1 633 . 17 1 1 A 58 58 VAL HA H 58 5.053 4.891 0.162 1
1 641 . 17 1 1 A 58 58 VAL C C 58 174.027 173.596 0.431 1
1 642 . 17 1 1 A 58 58 VAL CA C 58 57.977 57.946 0.031 1
1 643 . 17 1 1 A 58 58 VAL CB C 58 35.583 34.325 1.258 1
1 646 . 17 1 1 A 58 58 VAL N N 58 122.081 121.979 0.102 1
1 647 . 17 1 1 A 59 59 PRO HA H 59 4.573 4.882 -0.309 1
1 654 . 17 1 1 A 59 59 PRO C C 59 175.457 175.200 0.257 1
1 655 . 17 1 1 A 59 59 PRO CA C 59 63.643 62.419 1.224 1
1 656 . 17 1 1 A 59 59 PRO CB C 59 32.915 30.035 2.880 1
1 659 . 17 1 1 A 60 60 ASP H H 60 8.989 8.384 0.605 1
1 660 . 17 1 1 A 60 60 ASP HA H 60 5.179 5.295 -0.116 1
1 663 . 17 1 1 A 60 60 ASP C C 60 172.742 174.237 -1.495 1
1 664 . 17 1 1 A 60 60 ASP CA C 60 52.698 50.916 1.782 1
1 665 . 17 1 1 A 60 60 ASP CB C 60 43.314 41.339 1.975 1
1 666 . 17 1 1 A 60 60 ASP N N 60 122.718 123.844 -1.126 1
1 667 . 17 1 1 A 61 61 PRO HA H 61 4.681 4.701 -0.020 1
1 674 . 17 1 1 A 61 61 PRO C C 61 177.420 175.326 2.094 1
1 675 . 17 1 1 A 61 61 PRO CA C 61 63.594 62.418 1.176 1
1 676 . 17 1 1 A 61 61 PRO CB C 61 32.950 32.896 0.054 1
1 679 . 17 1 1 A 62 62 SER H H 62 7.803 8.332 -0.529 1
1 680 . 17 1 1 A 62 62 SER HA H 62 4.797 4.984 -0.187 1
1 683 . 17 1 1 A 62 62 SER C C 62 174.851 174.530 0.321 1
1 684 . 17 1 1 A 62 62 SER CA C 62 56.896 56.053 0.843 1
1 685 . 17 1 1 A 62 62 SER CB C 62 63.959 65.774 -1.815 1
1 686 . 17 1 1 A 62 62 SER N N 62 115.582 114.749 0.833 1
1 687 . 17 1 1 A 63 63 PRO HA H 63 4.089 4.491 -0.402 1
1 694 . 17 1 1 A 63 63 PRO C C 63 177.105 175.934 1.171 1
1 695 . 17 1 1 A 63 63 PRO CA C 63 66.024 64.123 1.901 1
1 696 . 17 1 1 A 63 63 PRO CB C 63 31.763 31.499 0.264 1
1 699 . 17 1 1 A 64 64 ASP H H 64 8.361 8.209 0.152 1
1 700 . 17 1 1 A 64 64 ASP HA H 64 4.290 4.748 -0.458 1
1 703 . 17 1 1 A 64 64 ASP C C 64 174.802 175.475 -0.673 1
1 704 . 17 1 1 A 64 64 ASP CA C 64 54.458 54.317 0.141 1
1 705 . 17 1 1 A 64 64 ASP CB C 64 40.481 43.126 -2.645 1
1 706 . 17 1 1 A 64 64 ASP N N 64 111.867 117.316 -5.449 1
1 707 . 17 1 1 A 65 65 HIS H H 65 7.781 7.360 0.421 1
1 708 . 17 1 1 A 65 65 HIS HA H 65 4.558 4.624 -0.066 1
1 713 . 17 1 1 A 65 65 HIS C C 65 174.972 174.537 0.435 1
1 714 . 17 1 1 A 65 65 HIS CA C 65 54.370 54.340 0.030 1
1 715 . 17 1 1 A 65 65 HIS CB C 65 28.450 32.227 -3.777 1
1 718 . 17 1 1 A 65 65 HIS N N 65 120.793 116.346 4.447 1
1 719 . 17 1 1 A 66 66 LEU H H 66 8.206 8.085 0.121 1
1 720 . 17 1 1 A 66 66 LEU HA H 66 3.893 4.313 -0.420 1
1 730 . 17 1 1 A 66 66 LEU C C 66 178.826 176.370 2.456 1
1 731 . 17 1 1 A 66 66 LEU CA C 66 57.857 54.130 3.727 1
1 732 . 17 1 1 A 66 66 LEU CB C 66 42.245 41.065 1.180 1
1 736 . 17 1 1 A 66 66 LEU N N 66 124.390 125.702 -1.312 1
1 737 . 17 1 1 A 67 67 TYR H H 67 8.612 7.653 0.959 1
1 738 . 17 1 1 A 67 67 TYR HA H 67 5.417 4.885 0.532 1
1 745 . 17 1 1 A 67 67 TYR C C 67 176.403 175.009 1.394 1
1 746 . 17 1 1 A 67 67 TYR CA C 67 55.320 57.770 -2.450 1
1 747 . 17 1 1 A 67 67 TYR CB C 67 35.524 39.030 -3.506 1
1 752 . 17 1 1 A 67 67 TYR N N 67 118.042 119.637 -1.595 1
1 753 . 17 1 1 A 68 68 SER H H 68 6.652 7.730 -1.078 1
1 754 . 17 1 1 A 68 68 SER HA H 68 5.742 4.959 0.783 1
1 757 . 17 1 1 A 68 68 SER C C 68 174.827 173.558 1.269 1
1 758 . 17 1 1 A 68 68 SER CA C 68 56.147 57.157 -1.010 1
1 759 . 17 1 1 A 68 68 SER CB C 68 65.504 64.859 0.645 1
1 760 . 17 1 1 A 68 68 SER N N 68 111.076 116.672 -5.596 1
1 761 . 17 1 1 A 69 69 PHE H H 69 9.089 8.847 0.242 1
1 762 . 17 1 1 A 69 69 PHE HA H 69 5.212 5.630 -0.418 1
1 770 . 17 1 1 A 69 69 PHE C C 69 171.676 172.794 -1.118 1
1 771 . 17 1 1 A 69 69 PHE CA C 69 55.918 55.402 0.516 1
1 772 . 17 1 1 A 69 69 PHE CB C 69 41.034 43.023 -1.989 1
1 778 . 17 1 1 A 69 69 PHE N N 69 121.539 120.788 0.751 1
1 779 . 17 1 1 A 70 70 ARG H H 70 9.299 8.939 0.360 1
1 780 . 17 1 1 A 70 70 ARG HA H 70 5.333 5.082 0.251 1
1 787 . 17 1 1 A 70 70 ARG C C 70 174.197 174.544 -0.347 1
1 788 . 17 1 1 A 70 70 ARG CA C 70 54.198 54.240 -0.042 1
1 789 . 17 1 1 A 70 70 ARG CB C 70 35.236 34.220 1.016 1
1 792 . 17 1 1 A 70 70 ARG N N 70 117.458 118.898 -1.440 1
1 794 . 17 1 1 A 71 71 ILE H H 71 8.505 8.429 0.076 1
1 795 . 17 1 1 A 71 71 ILE HA H 71 4.974 5.306 -0.332 1
1 805 . 17 1 1 A 71 71 ILE C C 71 174.996 175.239 -0.243 1
1 806 . 17 1 1 A 71 71 ILE CA C 71 60.622 59.678 0.944 1
1 807 . 17 1 1 A 71 71 ILE CB C 71 39.636 40.768 -1.132 1
1 811 . 17 1 1 A 71 71 ILE N N 71 119.757 123.366 -3.609 1
1 812 . 17 1 1 A 72 72 LEU H H 72 9.488 9.240 0.248 1
1 813 . 17 1 1 A 72 72 LEU HA H 72 5.473 5.513 -0.040 1
1 823 . 17 1 1 A 72 72 LEU C C 72 176.172 175.271 0.901 1
1 824 . 17 1 1 A 72 72 LEU CA C 72 53.507 54.087 -0.580 1
1 825 . 17 1 1 A 72 72 LEU CB C 72 46.393 45.771 0.622 1
1 829 . 17 1 1 A 72 72 LEU N N 72 128.277 125.359 2.918 1
1 830 . 17 1 1 A 73 73 HIS H H 73 9.087 9.356 -0.269 1
1 831 . 17 1 1 A 73 73 HIS HA H 73 4.888 4.930 -0.042 1
1 836 . 17 1 1 A 73 73 HIS C C 73 175.118 174.349 0.769 1
1 837 . 17 1 1 A 73 73 HIS CA C 73 56.675 55.486 1.189 1
1 838 . 17 1 1 A 73 73 HIS CB C 73 32.933 31.936 0.997 1
1 841 . 17 1 1 A 73 73 HIS N N 73 119.084 122.780 -3.696 1
1 842 . 17 1 1 A 74 74 LYS H H 74 9.551 9.549 0.002 1
1 843 . 17 1 1 A 74 74 LYS HA H 74 3.763 3.771 -0.008 1
1 852 . 17 1 1 A 74 74 LYS C C 74 176.851 176.662 0.189 1
1 853 . 17 1 1 A 74 74 LYS CA C 74 56.969 57.468 -0.499 1
1 854 . 17 1 1 A 74 74 LYS CB C 74 29.766 29.805 -0.039 1
1 858 . 17 1 1 A 74 74 LYS N N 74 128.764 127.557 1.207 1
1 859 . 17 1 1 A 75 75 GLY H H 75 8.877 8.454 0.423 1
1 860 . 17 1 1 A 75 75 GLY HA2 H 75 3.523 3.865 -0.342 1
1 861 . 17 1 1 A 75 75 GLY HA3 H 75 4.213 3.866 0.347 1
1 862 . 17 1 1 A 75 75 GLY C C 75 173.566 173.846 -0.280 1
1 863 . 17 1 1 A 75 75 GLY CA C 75 45.346 45.274 0.072 1
1 864 . 17 1 1 A 75 75 GLY N N 75 104.552 105.497 -0.945 1
1 865 . 17 1 1 A 76 76 GLU H H 76 7.922 7.856 0.066 1
1 866 . 17 1 1 A 76 76 GLU HA H 76 4.491 4.638 -0.147 1
1 871 . 17 1 1 A 76 76 GLU C C 76 175.651 175.419 0.232 1
1 872 . 17 1 1 A 76 76 GLU CA C 76 54.721 55.310 -0.589 1
1 873 . 17 1 1 A 76 76 GLU CB C 76 31.187 30.677 0.510 1
1 875 . 17 1 1 A 76 76 GLU N N 76 121.492 120.204 1.288 1
1 876 . 17 1 1 A 77 77 GLU H H 77 8.925 8.744 0.181 1
1 877 . 17 1 1 A 77 77 GLU HA H 77 4.309 4.467 -0.158 1
1 881 . 17 1 1 A 77 77 GLU C C 77 175.857 175.824 0.033 1
1 882 . 17 1 1 A 77 77 GLU CA C 77 57.412 57.121 0.291 1
1 883 . 17 1 1 A 77 77 GLU CB C 77 31.146 30.335 0.811 1
1 885 . 17 1 1 A 77 77 GLU N N 77 125.541 123.256 2.285 1
1 886 . 17 1 1 A 78 78 LEU H H 78 9.475 8.878 0.597 1
1 887 . 17 1 1 A 78 78 LEU HA H 78 4.513 4.412 0.101 1
1 897 . 17 1 1 A 78 78 LEU C C 78 177.541 176.604 0.937 1
1 898 . 17 1 1 A 78 78 LEU CA C 78 55.443 56.007 -0.564 1
1 899 . 17 1 1 A 78 78 LEU CB C 78 43.776 43.089 0.687 1
1 903 . 17 1 1 A 78 78 LEU N N 78 128.715 127.888 0.827 1
1 904 . 17 1 1 A 79 79 ALA H H 79 7.550 7.465 0.085 1
1 905 . 17 1 1 A 79 79 ALA HA H 79 4.503 4.582 -0.079 1
1 909 . 17 1 1 A 79 79 ALA C C 79 174.342 175.170 -0.828 1
1 910 . 17 1 1 A 79 79 ALA CA C 79 51.906 51.569 0.337 1
1 911 . 17 1 1 A 79 79 ALA CB C 79 22.017 22.338 -0.321 1
1 912 . 17 1 1 A 79 79 ALA N N 79 116.317 116.379 -0.062 1
1 913 . 17 1 1 A 80 80 LYS H H 80 8.743 8.636 0.107 1
1 914 . 17 1 1 A 80 80 LYS HA H 80 4.725 4.926 -0.201 1
1 923 . 17 1 1 A 80 80 LYS C C 80 172.973 174.328 -1.355 1
1 924 . 17 1 1 A 80 80 LYS CA C 80 56.604 55.111 1.493 1
1 925 . 17 1 1 A 80 80 LYS CB C 80 34.331 35.740 -1.409 1
1 929 . 17 1 1 A 80 80 LYS N N 80 123.623 119.575 4.048 1
1 930 . 17 1 1 A 81 81 LEU H H 81 8.504 9.317 -0.813 1
1 931 . 17 1 1 A 81 81 LEU HA H 81 5.531 5.532 -0.001 1
1 941 . 17 1 1 A 81 81 LEU C C 81 176.366 175.212 1.154 1
1 942 . 17 1 1 A 81 81 LEU CA C 81 53.665 53.206 0.459 1
1 943 . 17 1 1 A 81 81 LEU CB C 81 45.969 45.181 0.788 1
1 947 . 17 1 1 A 81 81 LEU N N 81 124.594 127.324 -2.730 1
1 948 . 17 1 1 A 82 82 GLU H H 82 9.018 8.350 0.668 1
1 949 . 17 1 1 A 82 82 GLU HA H 82 4.826 4.630 0.196 1
1 954 . 17 1 1 A 82 82 GLU C C 82 174.439 175.314 -0.875 1
1 955 . 17 1 1 A 82 82 GLU CA C 82 56.376 54.605 1.771 1
1 956 . 17 1 1 A 82 82 GLU CB C 82 32.852 32.732 0.120 1
1 958 . 17 1 1 A 82 82 GLU N N 82 118.819 121.687 -2.868 1
1 959 . 17 1 1 A 83 83 ALA H H 83 8.027 8.431 -0.404 1
1 960 . 17 1 1 A 83 83 ALA HA H 83 4.980 4.746 0.234 1
1 964 . 17 1 1 A 83 83 ALA C C 83 176.439 178.814 -2.375 1
1 965 . 17 1 1 A 83 83 ALA CA C 83 50.059 50.470 -0.411 1
1 966 . 17 1 1 A 83 83 ALA CB C 83 21.702 21.121 0.581 1
1 967 . 17 1 1 A 83 83 ALA N N 83 127.765 128.288 -0.523 1
1 968 . 17 1 1 A 84 84 LYS H H 84 9.017 8.666 0.351 1
1 969 . 17 1 1 A 84 84 LYS HA H 84 4.432 4.511 -0.079 1
1 977 . 17 1 1 A 84 84 LYS C C 84 175.930 176.212 -0.282 1
1 978 . 17 1 1 A 84 84 LYS CA C 84 56.956 56.984 -0.028 1
1 979 . 17 1 1 A 84 84 LYS CB C 84 32.974 33.815 -0.841 1
1 983 . 17 1 1 A 84 84 LYS N N 84 115.456 116.766 -1.310 1
1 984 . 17 1 1 A 85 85 SER H H 85 7.324 7.695 -0.371 1
1 985 . 17 1 1 A 85 85 SER HA H 85 4.074 3.899 0.175 1
1 988 . 17 1 1 A 85 85 SER C C 85 173.421 174.582 -1.161 1
1 989 . 17 1 1 A 85 85 SER CA C 85 56.038 55.607 0.431 1
1 990 . 17 1 1 A 85 85 SER CB C 85 66.506 65.007 1.499 1
1 991 . 17 1 1 A 85 85 SER N N 85 110.261 115.422 -5.161 1
1 992 . 17 1 1 A 86 86 SER H H 86 8.610 7.890 0.720 1
1 993 . 17 1 1 A 86 86 SER HA H 86 3.648 4.162 -0.514 1
1 996 . 17 1 1 A 86 86 SER C C 86 177.784 176.700 1.084 1
1 997 . 17 1 1 A 86 86 SER CA C 86 61.391 61.693 -0.302 1
1 998 . 17 1 1 A 86 86 SER CB C 86 62.378 62.562 -0.184 1
1 999 . 17 1 1 A 86 86 SER N N 86 117.136 121.986 -4.850 1
1 1000 . 17 1 1 A 87 87 GLU H H 87 8.890 7.743 1.147 1
1 1001 . 17 1 1 A 87 87 GLU HA H 87 4.031 4.087 -0.056 1
1 1006 . 17 1 1 A 87 87 GLU C C 87 179.492 178.242 1.250 1
1 1007 . 17 1 1 A 87 87 GLU CA C 87 59.983 58.795 1.188 1
1 1008 . 17 1 1 A 87 87 GLU CB C 87 28.969 29.258 -0.289 1
1 1010 . 17 1 1 A 87 87 GLU N N 87 123.189 122.517 0.672 1
1 1011 . 17 1 1 A 88 88 GLU H H 88 8.015 8.149 -0.134 1
1 1012 . 17 1 1 A 88 88 GLU HA H 88 4.243 4.163 0.080 1
1 1017 . 17 1 1 A 88 88 GLU C C 88 178.472 179.005 -0.533 1
1 1018 . 17 1 1 A 88 88 GLU CA C 88 59.642 59.150 0.492 1
1 1019 . 17 1 1 A 88 88 GLU CB C 88 31.016 29.633 1.383 1
1 1021 . 17 1 1 A 88 88 GLU N N 88 121.015 119.560 1.455 1
1 1022 . 17 1 1 A 89 89 MET H H 89 8.334 8.222 0.112 1
1 1023 . 17 1 1 A 89 89 MET HA H 89 3.843 4.286 -0.443 1
1 1030 . 17 1 1 A 89 89 MET C C 89 177.396 178.474 -1.078 1
1 1031 . 17 1 1 A 89 89 MET CA C 89 60.458 58.063 2.395 1
1 1032 . 17 1 1 A 89 89 MET CB C 89 32.481 32.572 -0.091 1
1 1035 . 17 1 1 A 89 89 MET N N 89 119.764 119.208 0.556 1
1 1036 . 17 1 1 A 90 90 GLY H H 90 8.452 8.343 0.109 1
1 1037 . 17 1 1 A 90 90 GLY HA2 H 90 4.008 3.724 0.284 1
1 1038 . 17 1 1 A 90 90 GLY HA3 H 90 3.723 3.747 -0.024 1
1 1039 . 17 1 1 A 90 90 GLY C C 90 176.814 175.436 1.378 1
1 1040 . 17 1 1 A 90 90 GLY CA C 90 47.489 46.770 0.719 1
1 1041 . 17 1 1 A 90 90 GLY N N 90 105.180 108.577 -3.397 1
1 1042 . 17 1 1 A 91 91 HIS H H 91 7.919 7.788 0.131 1
1 1043 . 17 1 1 A 91 91 HIS HA H 91 4.329 4.192 0.137 1
1 1048 . 17 1 1 A 91 91 HIS C C 91 178.208 177.030 1.178 1
1 1049 . 17 1 1 A 91 91 HIS CA C 91 59.367 58.724 0.643 1
1 1050 . 17 1 1 A 91 91 HIS CB C 91 30.612 29.812 0.800 1
1 1053 . 17 1 1 A 91 91 HIS N N 91 121.929 121.044 0.885 1
1 1054 . 17 1 1 A 92 92 TRP H H 92 8.199 7.373 0.826 1
1 1055 . 17 1 1 A 92 92 TRP HA H 92 3.829 4.216 -0.387 1
1 1064 . 17 1 1 A 92 92 TRP C C 92 178.257 178.639 -0.382 1
1 1065 . 17 1 1 A 92 92 TRP CA C 92 62.464 59.252 3.212 1
1 1066 . 17 1 1 A 92 92 TRP CB C 92 29.190 29.321 -0.131 1
1 1072 . 17 1 1 A 92 92 TRP N N 92 120.070 117.920 2.150 1
1 1074 . 17 1 1 A 93 93 LEU H H 93 8.740 8.084 0.656 1
1 1075 . 17 1 1 A 93 93 LEU HA H 93 3.695 3.740 -0.045 1
1 1085 . 17 1 1 A 93 93 LEU C C 93 179.105 179.249 -0.144 1
1 1086 . 17 1 1 A 93 93 LEU CA C 93 59.076 58.231 0.845 1
1 1087 . 17 1 1 A 93 93 LEU CB C 93 40.993 41.950 -0.957 1
1 1091 . 17 1 1 A 93 93 LEU N N 93 119.445 120.171 -0.726 1
1 1092 . 17 1 1 A 94 94 GLY H H 94 7.616 8.037 -0.421 1
1 1093 . 17 1 1 A 94 94 GLY HA2 H 94 3.852 3.587 0.265 1
1 1094 . 17 1 1 A 94 94 GLY HA3 H 94 3.759 3.609 0.150 1
1 1095 . 17 1 1 A 94 94 GLY C C 94 176.693 175.536 1.157 1
1 1096 . 17 1 1 A 94 94 GLY CA C 94 47.120 47.212 -0.092 1
1 1097 . 17 1 1 A 94 94 GLY N N 94 102.951 105.430 -2.479 1
1 1098 . 17 1 1 A 95 95 LEU H H 95 7.853 7.614 0.239 1
1 1099 . 17 1 1 A 95 95 LEU HA H 95 4.024 3.945 0.079 1
1 1109 . 17 1 1 A 95 95 LEU C C 95 179.589 178.623 0.966 1
1 1110 . 17 1 1 A 95 95 LEU CA C 95 57.678 57.167 0.511 1
1 1111 . 17 1 1 A 95 95 LEU CB C 95 42.533 41.228 1.305 1
1 1115 . 17 1 1 A 95 95 LEU N N 95 123.479 122.874 0.605 1
1 1116 . 17 1 1 A 96 96 LEU H H 96 8.649 8.158 0.491 1
1 1117 . 17 1 1 A 96 96 LEU HA H 96 3.971 4.143 -0.172 1
1 1127 . 17 1 1 A 96 96 LEU C C 96 179.068 179.308 -0.240 1
1 1128 . 17 1 1 A 96 96 LEU CA C 96 57.906 57.608 0.298 1
1 1129 . 17 1 1 A 96 96 LEU CB C 96 42.104 41.313 0.791 1
1 1133 . 17 1 1 A 96 96 LEU N N 96 118.046 118.319 -0.273 1
1 1134 . 17 1 1 A 97 97 LEU H H 97 8.198 8.047 0.151 1
1 1135 . 17 1 1 A 97 97 LEU HA H 97 4.234 4.163 0.071 1
1 1145 . 17 1 1 A 97 97 LEU C C 97 180.177 178.773 1.404 1
1 1146 . 17 1 1 A 97 97 LEU CA C 97 57.361 58.064 -0.703 1
1 1147 . 17 1 1 A 97 97 LEU CB C 97 41.611 41.343 0.268 1
1 1151 . 17 1 1 A 97 97 LEU N N 97 118.670 119.845 -1.175 1
1 1152 . 17 1 1 A 98 98 SER H H 98 7.818 8.466 -0.648 1
1 1153 . 17 1 1 A 98 98 SER HA H 98 4.328 4.131 0.197 1
1 1156 . 17 1 1 A 98 98 SER C C 98 176.863 177.187 -0.324 1
1 1157 . 17 1 1 A 98 98 SER CA C 98 61.004 61.179 -0.175 1
1 1158 . 17 1 1 A 98 98 SER CB C 98 63.322 62.501 0.821 1
1 1159 . 17 1 1 A 98 98 SER N N 98 115.679 112.906 2.773 1
1 1160 . 17 1 1 A 99 99 GLU H H 99 8.003 7.575 0.428 1
1 1161 . 17 1 1 A 99 99 GLU HA H 99 4.193 4.245 -0.052 1
1 1166 . 17 1 1 A 99 99 GLU C C 99 177.226 176.835 0.391 1
1 1167 . 17 1 1 A 99 99 GLU CA C 99 57.449 58.980 -1.531 1
1 1168 . 17 1 1 A 99 99 GLU CB C 99 30.260 29.441 0.819 1
1 1170 . 17 1 1 A 99 99 GLU N N 99 120.518 120.685 -0.167 1
1 1171 . 17 1 1 A 100 100 SER H H 100 7.892 8.006 -0.114 1
1 1172 . 17 1 1 A 100 100 SER HA H 100 4.582 4.499 0.083 1
1 1175 . 17 1 1 A 100 100 SER C C 100 175.881 174.528 1.353 1
1 1176 . 17 1 1 A 100 100 SER CA C 100 59.561 57.455 2.106 1
1 1177 . 17 1 1 A 100 100 SER CB C 100 64.188 63.750 0.438 1
1 1178 . 17 1 1 A 100 100 SER N N 100 113.686 113.610 0.076 1
1 1179 . 17 1 1 A 101 101 GLY H H 101 7.861 8.832 -0.971 1
1 1180 . 17 1 1 A 101 101 GLY HA2 H 101 4.114 3.890 0.224 1
1 1181 . 17 1 1 A 101 101 GLY HA3 H 101 4.063 3.890 0.173 1
1 1182 . 17 1 1 A 101 101 GLY C C 101 174.076 173.685 0.391 1
1 1183 . 17 1 1 A 101 101 GLY CA C 101 45.501 47.045 -1.544 1
1 1184 . 17 1 1 A 101 101 GLY N N 101 109.148 110.696 -1.548 1
1 1185 . 17 1 1 A 102 102 SER H H 102 8.260 8.461 -0.201 1
1 1186 . 17 1 1 A 102 102 SER HA H 102 4.543 4.346 0.197 1
1 1189 . 17 1 1 A 102 102 SER C C 102 174.851 174.297 0.554 1
1 1190 . 17 1 1 A 102 102 SER CA C 102 58.646 59.390 -0.744 1
1 1191 . 17 1 1 A 102 102 SER CB C 102 64.211 63.812 0.399 1
1 1192 . 17 1 1 A 102 102 SER N N 102 116.298 117.989 -1.691 1
1 1193 . 17 1 1 A 103 103 GLY H H 103 8.252 8.443 -0.191 1
1 1194 . 17 1 1 A 103 103 GLY HA2 H 103 4.173 4.388 -0.215 1
1 1195 . 17 1 1 A 103 103 GLY HA3 H 103 4.074 4.397 -0.323 1
1 1196 . 17 1 1 A 103 103 GLY C C 103 171.773 173.268 -1.495 1
1 1197 . 17 1 1 A 103 103 GLY CA C 103 44.777 45.706 -0.929 1
1 1198 . 17 1 1 A 103 103 GLY N N 103 110.162 112.149 -1.987 1
1 1199 . 17 1 1 A 104 104 PRO HA H 104 4.515 4.492 0.023 1
1 1206 . 17 1 1 A 104 104 PRO CA C 104 63.224 64.198 -0.974 1
1 1207 . 17 1 1 A 104 104 PRO CB C 104 32.174 31.779 0.395 1
1 1210 . 17 1 1 A 105 105 SER H H 105 8.559 7.796 0.763 1
1 1211 . 17 1 1 A 105 105 SER CA C 105 60.998 58.786 2.212 1
1 1212 . 17 1 1 A 105 105 SER CB C 105 63.768 63.638 0.130 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.952 4.167 -0.215 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.952 4.177 -0.225 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.197 172.191 2.006 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.378 44.983 0.395 1
1 5 . 18 1 1 A 8 8 LEU H H 8 8.030 8.955 -0.925 1
1 6 . 18 1 1 A 8 8 LEU HA H 8 4.321 4.974 -0.653 1
1 16 . 18 1 1 A 8 8 LEU C C 8 177.468 174.823 2.645 1
1 17 . 18 1 1 A 8 8 LEU CA C 8 55.320 53.725 1.595 1
1 18 . 18 1 1 A 8 8 LEU CB C 8 42.556 43.339 -0.783 1
1 22 . 18 1 1 A 8 8 LEU N N 8 121.494 126.745 -5.251 1
1 23 . 18 1 1 A 9 9 GLU H H 9 8.577 8.727 -0.150 1
1 24 . 18 1 1 A 9 9 GLU HA H 9 4.454 4.715 -0.261 1
1 29 . 18 1 1 A 9 9 GLU C C 9 177.056 176.994 0.062 1
1 30 . 18 1 1 A 9 9 GLU CA C 9 56.956 54.557 2.399 1
1 31 . 18 1 1 A 9 9 GLU CB C 9 30.237 31.797 -1.560 1
1 33 . 18 1 1 A 9 9 GLU N N 9 121.449 126.074 -4.625 1
1 34 . 18 1 1 A 10 10 THR H H 10 8.189 8.719 -0.530 1
1 35 . 18 1 1 A 10 10 THR HA H 10 4.323 3.791 0.532 1
1 40 . 18 1 1 A 10 10 THR CA C 10 62.062 62.985 -0.923 1
1 41 . 18 1 1 A 10 10 THR CB C 10 69.441 66.641 2.800 1
1 43 . 18 1 1 A 10 10 THR N N 10 113.730 119.232 -5.502 1
1 44 . 18 1 1 A 11 11 SER H H 11 7.883 7.871 0.012 1
1 45 . 18 1 1 A 11 11 SER HA H 11 5.249 5.035 0.214 1
1 48 . 18 1 1 A 11 11 SER CA C 11 57.852 57.479 0.373 1
1 49 . 18 1 1 A 11 11 SER CB C 11 65.426 65.244 0.182 1
1 50 . 18 1 1 A 12 12 SER H H 12 8.413 8.790 -0.377 1
1 51 . 18 1 1 A 12 12 SER HA H 12 4.467 4.712 -0.245 1
1 54 . 18 1 1 A 12 12 SER CA C 12 58.741 57.174 1.567 1
1 55 . 18 1 1 A 12 12 SER CB C 12 65.239 65.632 -0.393 1
1 56 . 18 1 1 A 12 12 SER N N 12 116.995 121.474 -4.479 1
1 57 . 18 1 1 A 13 13 TYR H H 13 8.156 8.450 -0.294 1
1 58 . 18 1 1 A 13 13 TYR HA H 13 4.936 4.402 0.534 1
1 65 . 18 1 1 A 13 13 TYR CA C 13 58.533 58.454 0.079 1
1 68 . 18 1 1 A 13 13 TYR N N 13 121.972 123.949 -1.977 1
1 69 . 18 1 1 A 14 14 LEU H H 14 8.803 8.664 0.139 1
1 70 . 18 1 1 A 14 14 LEU HA H 14 4.573 5.008 -0.435 1
1 80 . 18 1 1 A 14 14 LEU C C 14 175.845 175.958 -0.113 1
1 81 . 18 1 1 A 14 14 LEU CA C 14 54.141 53.091 1.050 1
1 82 . 18 1 1 A 14 14 LEU CB C 14 46.603 44.425 2.178 1
1 86 . 18 1 1 A 14 14 LEU N N 14 123.967 125.660 -1.693 1
1 87 . 18 1 1 A 15 15 ASN H H 15 8.090 8.853 -0.763 1
1 88 . 18 1 1 A 15 15 ASN HA H 15 5.669 5.223 0.446 1
1 93 . 18 1 1 A 15 15 ASN C C 15 174.972 174.322 0.650 1
1 94 . 18 1 1 A 15 15 ASN CA C 15 51.589 52.718 -1.129 1
1 95 . 18 1 1 A 15 15 ASN CB C 15 40.317 39.482 0.835 1
1 96 . 18 1 1 A 15 15 ASN N N 15 117.248 120.554 -3.306 1
1 98 . 18 1 1 A 16 16 VAL H H 16 9.452 8.379 1.073 1
1 99 . 18 1 1 A 16 16 VAL HA H 16 4.743 4.496 0.247 1
1 107 . 18 1 1 A 16 16 VAL C C 16 174.269 176.206 -1.937 1
1 108 . 18 1 1 A 16 16 VAL CA C 16 60.574 61.899 -1.325 1
1 109 . 18 1 1 A 16 16 VAL CB C 16 35.194 32.180 3.014 1
1 112 . 18 1 1 A 16 16 VAL N N 16 122.909 125.569 -2.660 1
1 113 . 18 1 1 A 17 17 LEU H H 17 7.892 8.665 -0.773 1
1 114 . 18 1 1 A 17 17 LEU HA H 17 3.679 3.817 -0.138 1
1 124 . 18 1 1 A 17 17 LEU C C 17 175.747 175.082 0.665 1
1 125 . 18 1 1 A 17 17 LEU CA C 17 54.493 56.168 -1.675 1
1 126 . 18 1 1 A 17 17 LEU CB C 17 40.541 41.495 -0.954 1
1 130 . 18 1 1 A 17 17 LEU N N 17 130.093 130.975 -0.882 1
1 131 . 18 1 1 A 18 18 VAL H H 18 8.923 8.687 0.236 1
1 132 . 18 1 1 A 18 18 VAL HA H 18 4.053 4.269 -0.216 1
1 140 . 18 1 1 A 18 18 VAL C C 18 175.869 175.819 0.050 1
1 141 . 18 1 1 A 18 18 VAL CA C 18 61.285 61.194 0.091 1
1 142 . 18 1 1 A 18 18 VAL CB C 18 33.609 34.176 -0.567 1
1 145 . 18 1 1 A 18 18 VAL N N 18 130.417 128.280 2.137 1
1 146 . 18 1 1 A 19 19 ASN H H 19 9.323 9.377 -0.054 1
1 147 . 18 1 1 A 19 19 ASN HA H 19 4.232 4.306 -0.074 1
1 152 . 18 1 1 A 19 19 ASN C C 19 174.948 175.183 -0.235 1
1 153 . 18 1 1 A 19 19 ASN CA C 19 54.809 54.574 0.235 1
1 154 . 18 1 1 A 19 19 ASN CB C 19 37.192 36.676 0.516 1
1 155 . 18 1 1 A 19 19 ASN N N 19 127.579 127.554 0.025 1
1 157 . 18 1 1 A 20 20 SER H H 20 8.464 8.388 0.076 1
1 158 . 18 1 1 A 20 20 SER HA H 20 3.653 3.963 -0.310 1
1 161 . 18 1 1 A 20 20 SER C C 20 172.645 172.878 -0.233 1
1 162 . 18 1 1 A 20 20 SER CA C 20 60.458 59.164 1.294 1
1 163 . 18 1 1 A 20 20 SER CB C 20 62.584 61.839 0.745 1
1 164 . 18 1 1 A 20 20 SER N N 20 106.869 111.513 -4.644 1
1 165 . 18 1 1 A 21 21 GLN H H 21 7.695 7.296 0.399 1
1 166 . 18 1 1 A 21 21 GLN HA H 21 4.591 4.672 -0.081 1
1 173 . 18 1 1 A 21 21 GLN C C 21 174.003 174.507 -0.504 1
1 174 . 18 1 1 A 21 21 GLN CA C 21 53.772 54.385 -0.613 1
1 175 . 18 1 1 A 21 21 GLN CB C 21 32.069 31.984 0.085 1
1 177 . 18 1 1 A 21 21 GLN N N 21 120.372 117.851 2.521 1
1 179 . 18 1 1 A 22 22 TRP H H 22 8.743 8.665 0.078 1
1 180 . 18 1 1 A 22 22 TRP HA H 22 4.690 4.852 -0.162 1
1 189 . 18 1 1 A 22 22 TRP C C 22 176.863 176.407 0.456 1
1 190 . 18 1 1 A 22 22 TRP CA C 22 57.062 57.644 -0.582 1
1 191 . 18 1 1 A 22 22 TRP CB C 22 29.323 29.387 -0.064 1
1 197 . 18 1 1 A 22 22 TRP N N 22 124.919 124.129 0.790 1
1 199 . 18 1 1 A 23 23 LYS H H 23 9.302 8.924 0.378 1
1 200 . 18 1 1 A 23 23 LYS HA H 23 4.798 4.831 -0.033 1
1 208 . 18 1 1 A 23 23 LYS C C 23 176.050 176.300 -0.250 1
1 209 . 18 1 1 A 23 23 LYS CA C 23 54.106 54.413 -0.307 1
1 210 . 18 1 1 A 23 23 LYS CB C 23 35.583 35.248 0.335 1
1 214 . 18 1 1 A 23 23 LYS N N 23 124.474 125.133 -0.659 1
1 215 . 18 1 1 A 24 24 SER H H 24 8.740 8.672 0.068 1
1 216 . 18 1 1 A 24 24 SER HA H 24 5.035 4.748 0.287 1
1 219 . 18 1 1 A 24 24 SER C C 24 175.905 173.921 1.984 1
1 220 . 18 1 1 A 24 24 SER CA C 24 58.857 58.833 0.024 1
1 221 . 18 1 1 A 24 24 SER CB C 24 63.489 63.396 0.093 1
1 222 . 18 1 1 A 24 24 SER N N 24 118.568 118.047 0.521 1
1 223 . 18 1 1 A 25 25 ARG H H 25 9.302 8.798 0.504 1
1 224 . 18 1 1 A 25 25 ARG HA H 25 4.946 5.185 -0.239 1
1 231 . 18 1 1 A 25 25 ARG C C 25 173.724 173.896 -0.172 1
1 232 . 18 1 1 A 25 25 ARG CA C 25 54.440 54.754 -0.314 1
1 233 . 18 1 1 A 25 25 ARG CB C 25 34.825 34.407 0.418 1
1 236 . 18 1 1 A 25 25 ARG N N 25 126.895 124.641 2.254 1
1 237 . 18 1 1 A 26 26 TRP H H 26 8.668 8.988 -0.320 1
1 238 . 18 1 1 A 26 26 TRP HA H 26 4.780 5.403 -0.623 1
1 247 . 18 1 1 A 26 26 TRP C C 26 175.796 174.791 1.005 1
1 248 . 18 1 1 A 26 26 TRP CA C 26 57.555 55.470 2.085 1
1 249 . 18 1 1 A 26 26 TRP CB C 26 29.833 31.334 -1.501 1
1 255 . 18 1 1 A 26 26 TRP N N 26 123.493 127.532 -4.039 1
1 257 . 18 1 1 A 27 27 CYS H H 27 8.884 8.882 0.002 1
1 258 . 18 1 1 A 27 27 CYS HA H 27 5.668 5.149 0.519 1
1 261 . 18 1 1 A 27 27 CYS C C 27 174.560 174.444 0.116 1
1 262 . 18 1 1 A 27 27 CYS CA C 27 58.184 58.227 -0.043 1
1 263 . 18 1 1 A 27 27 CYS CB C 27 31.516 28.457 3.059 1
1 264 . 18 1 1 A 27 27 CYS N N 27 124.947 128.112 -3.165 1
1 265 . 18 1 1 A 28 28 SER H H 28 8.566 8.903 -0.337 1
1 266 . 18 1 1 A 28 28 SER HA H 28 5.240 5.362 -0.122 1
1 269 . 18 1 1 A 28 28 SER C C 28 173.106 173.058 0.048 1
1 270 . 18 1 1 A 28 28 SER CA C 28 57.027 56.862 0.165 1
1 271 . 18 1 1 A 28 28 SER CB C 28 66.738 65.263 1.475 1
1 272 . 18 1 1 A 28 28 SER N N 28 114.751 119.008 -4.257 1
1 273 . 18 1 1 A 29 29 VAL H H 29 8.843 9.091 -0.248 1
1 274 . 18 1 1 A 29 29 VAL HA H 29 5.302 5.016 0.286 1
1 282 . 18 1 1 A 29 29 VAL C C 29 175.905 175.506 0.399 1
1 283 . 18 1 1 A 29 29 VAL CA C 29 61.233 61.001 0.232 1
1 284 . 18 1 1 A 29 29 VAL CB C 29 32.832 34.033 -1.201 1
1 287 . 18 1 1 A 29 29 VAL N N 29 125.688 127.720 -2.032 1
1 288 . 18 1 1 A 30 30 ARG H H 30 8.964 8.815 0.149 1
1 289 . 18 1 1 A 30 30 ARG HA H 30 4.620 4.534 0.086 1
1 295 . 18 1 1 A 30 30 ARG C C 30 176.160 177.105 -0.945 1
1 296 . 18 1 1 A 30 30 ARG CA C 30 55.901 57.364 -1.463 1
1 297 . 18 1 1 A 30 30 ARG CB C 30 33.198 32.442 0.756 1
1 300 . 18 1 1 A 30 30 ARG N N 30 125.513 127.959 -2.446 1
1 301 . 18 1 1 A 31 31 ASP H H 31 9.773 8.611 1.162 1
1 302 . 18 1 1 A 31 31 ASP HA H 31 4.451 4.856 -0.405 1
1 305 . 18 1 1 A 31 31 ASP C C 31 177.008 177.245 -0.237 1
1 306 . 18 1 1 A 31 31 ASP CA C 31 55.936 55.240 0.696 1
1 307 . 18 1 1 A 31 31 ASP CB C 31 39.659 42.864 -3.205 1
1 308 . 18 1 1 A 31 31 ASP N N 31 127.085 116.809 10.276 1
1 309 . 18 1 1 A 32 32 ASN H H 32 9.639 8.495 1.144 1
1 310 . 18 1 1 A 32 32 ASN HA H 32 4.535 4.926 -0.391 1
1 315 . 18 1 1 A 32 32 ASN C C 32 172.766 173.526 -0.760 1
1 316 . 18 1 1 A 32 32 ASN CA C 32 55.549 52.700 2.849 1
1 317 . 18 1 1 A 32 32 ASN CB C 32 38.238 39.098 -0.860 1
1 318 . 18 1 1 A 32 32 ASN N N 32 112.101 115.611 -3.510 1
1 320 . 18 1 1 A 33 33 HIS H H 33 8.292 7.704 0.588 1
1 321 . 18 1 1 A 33 33 HIS HA H 33 5.368 5.503 -0.135 1
1 326 . 18 1 1 A 33 33 HIS C C 33 172.718 173.504 -0.786 1
1 327 . 18 1 1 A 33 33 HIS CA C 33 55.303 54.796 0.507 1
1 328 . 18 1 1 A 33 33 HIS CB C 33 32.851 33.907 -1.056 1
1 331 . 18 1 1 A 33 33 HIS N N 33 116.294 117.491 -1.197 1
1 332 . 18 1 1 A 34 34 LEU H H 34 8.987 8.867 0.120 1
1 333 . 18 1 1 A 34 34 LEU HA H 34 4.784 5.065 -0.281 1
1 342 . 18 1 1 A 34 34 LEU C C 34 173.240 175.048 -1.808 1
1 343 . 18 1 1 A 34 34 LEU CA C 34 53.719 53.344 0.375 1
1 344 . 18 1 1 A 34 34 LEU CB C 34 45.147 44.165 0.982 1
1 348 . 18 1 1 A 34 34 LEU N N 34 122.961 124.146 -1.185 1
1 349 . 18 1 1 A 35 35 HIS H H 35 9.169 9.471 -0.302 1
1 350 . 18 1 1 A 35 35 HIS HA H 35 4.713 4.809 -0.096 1
1 355 . 18 1 1 A 35 35 HIS C C 35 174.778 174.739 0.039 1
1 356 . 18 1 1 A 35 35 HIS CA C 35 55.284 56.154 -0.870 1
1 357 . 18 1 1 A 35 35 HIS CB C 35 34.455 31.745 2.710 1
1 360 . 18 1 1 A 35 35 HIS N N 35 125.201 125.991 -0.790 1
1 361 . 18 1 1 A 36 36 PHE H H 36 9.522 8.798 0.724 1
1 362 . 18 1 1 A 36 36 PHE HA H 36 5.014 5.279 -0.265 1
1 370 . 18 1 1 A 36 36 PHE C C 36 174.911 174.193 0.718 1
1 371 . 18 1 1 A 36 36 PHE CA C 36 56.217 56.468 -0.251 1
1 372 . 18 1 1 A 36 36 PHE CB C 36 43.666 42.687 0.979 1
1 378 . 18 1 1 A 36 36 PHE N N 36 118.294 119.036 -0.742 1
1 379 . 18 1 1 A 37 37 TYR H H 37 9.783 9.095 0.688 1
1 380 . 18 1 1 A 37 37 TYR HA H 37 5.453 5.031 0.422 1
1 387 . 18 1 1 A 37 37 TYR C C 37 176.475 175.548 0.927 1
1 388 . 18 1 1 A 37 37 TYR CA C 37 57.185 56.631 0.554 1
1 389 . 18 1 1 A 37 37 TYR CB C 37 41.569 43.406 -1.837 1
1 394 . 18 1 1 A 37 37 TYR N N 37 121.241 120.672 0.569 1
1 395 . 18 1 1 A 38 38 GLN H H 38 9.233 8.698 0.535 1
1 396 . 18 1 1 A 38 38 GLN HA H 38 4.480 4.752 -0.272 1
1 403 . 18 1 1 A 38 38 GLN C C 38 175.408 175.774 -0.366 1
1 404 . 18 1 1 A 38 38 GLN CA C 38 57.977 57.056 0.921 1
1 405 . 18 1 1 A 38 38 GLN CB C 38 29.825 30.693 -0.868 1
1 407 . 18 1 1 A 38 38 GLN N N 38 119.348 121.039 -1.691 1
1 409 . 18 1 1 A 39 39 ASP H H 39 8.674 7.822 0.852 1
1 410 . 18 1 1 A 39 39 ASP HA H 39 4.849 4.678 0.171 1
1 413 . 18 1 1 A 39 39 ASP CA C 39 52.402 53.825 -1.423 1
1 414 . 18 1 1 A 39 39 ASP CB C 39 43.525 42.148 1.377 1
1 415 . 18 1 1 A 40 40 ARG H H 40 7.823 8.733 -0.910 1
1 416 . 18 1 1 A 40 40 ARG HA H 40 2.342 4.299 -1.957 1
1 423 . 18 1 1 A 40 40 ARG CA C 40 57.183 59.124 -1.941 1
1 424 . 18 1 1 A 40 40 ARG CB C 40 29.300 30.708 -1.408 1
1 427 . 18 1 1 A 40 40 ARG N N 40 119.412 122.988 -3.576 1
1 428 . 18 1 1 A 41 41 ASN H H 41 7.601 7.929 -0.328 1
1 429 . 18 1 1 A 41 41 ASN HA H 41 4.408 4.682 -0.274 1
1 434 . 18 1 1 A 41 41 ASN C C 41 174.584 173.726 0.858 1
1 435 . 18 1 1 A 41 41 ASN CA C 41 53.396 52.836 0.560 1
1 436 . 18 1 1 A 41 41 ASN CB C 41 37.847 38.398 -0.551 1
1 437 . 18 1 1 A 41 41 ASN N N 41 114.895 115.126 -0.231 1
1 439 . 18 1 1 A 42 42 ARG H H 42 7.927 7.645 0.282 1
1 440 . 18 1 1 A 42 42 ARG HA H 42 3.271 3.816 -0.545 1
1 446 . 18 1 1 A 42 42 ARG CA C 42 57.164 56.727 0.437 1
1 449 . 18 1 1 A 42 42 ARG N N 42 115.263 115.369 -0.106 1
1 450 . 18 1 1 A 43 43 SER H H 43 9.112 8.268 0.844 1
1 451 . 18 1 1 A 43 43 SER HA H 43 4.444 4.400 0.044 1
1 454 . 18 1 1 A 43 43 SER CA C 43 59.742 61.052 -1.310 1
1 455 . 18 1 1 A 43 43 SER CB C 43 64.693 63.535 1.158 1
1 456 . 18 1 1 A 43 43 SER N N 43 115.094 111.483 3.611 1
1 457 . 18 1 1 A 44 44 LYS H H 44 8.543 8.032 0.511 1
1 458 . 18 1 1 A 44 44 LYS HA H 44 4.784 4.648 0.136 1
1 464 . 18 1 1 A 44 44 LYS C C 44 175.723 175.543 0.180 1
1 465 . 18 1 1 A 44 44 LYS CA C 44 55.091 55.465 -0.374 1
1 466 . 18 1 1 A 44 44 LYS CB C 44 34.642 33.056 1.586 1
1 470 . 18 1 1 A 45 45 VAL H H 45 8.965 8.960 0.005 1
1 471 . 18 1 1 A 45 45 VAL HA H 45 4.043 3.950 0.093 1
1 479 . 18 1 1 A 45 45 VAL C C 45 176.656 176.065 0.591 1
1 480 . 18 1 1 A 45 45 VAL CA C 45 63.883 62.795 1.088 1
1 481 . 18 1 1 A 45 45 VAL CB C 45 32.621 30.674 1.947 1
1 484 . 18 1 1 A 45 45 VAL N N 45 127.663 125.602 2.061 1
1 485 . 18 1 1 A 46 46 ALA H H 46 9.214 8.684 0.530 1
1 486 . 18 1 1 A 46 46 ALA HA H 46 4.523 4.032 0.491 1
1 490 . 18 1 1 A 46 46 ALA C C 46 176.560 177.186 -0.626 1
1 491 . 18 1 1 A 46 46 ALA CA C 46 52.610 55.512 -2.902 1
1 492 . 18 1 1 A 46 46 ALA CB C 46 20.929 19.044 1.885 1
1 493 . 18 1 1 A 46 46 ALA N N 46 129.165 131.192 -2.027 1
1 494 . 18 1 1 A 47 47 GLN H H 47 7.504 7.567 -0.063 1
1 495 . 18 1 1 A 47 47 GLN HA H 47 4.494 4.536 -0.042 1
1 502 . 18 1 1 A 47 47 GLN C C 47 173.057 174.544 -1.487 1
1 503 . 18 1 1 A 47 47 GLN CA C 47 54.458 54.676 -0.218 1
1 504 . 18 1 1 A 47 47 GLN CB C 47 30.918 30.549 0.369 1
1 506 . 18 1 1 A 47 47 GLN N N 47 112.591 110.755 1.836 1
1 508 . 18 1 1 A 48 48 GLN H H 48 8.541 8.338 0.203 1
1 509 . 18 1 1 A 48 48 GLN HA H 48 4.420 4.361 0.059 1
1 516 . 18 1 1 A 48 48 GLN C C 48 172.864 174.218 -1.354 1
1 517 . 18 1 1 A 48 48 GLN CA C 48 54.774 54.770 0.004 1
1 518 . 18 1 1 A 48 48 GLN CB C 48 28.017 28.094 -0.077 1
1 520 . 18 1 1 A 48 48 GLN N N 48 120.933 119.730 1.203 1
1 522 . 18 1 1 A 49 49 PRO HA H 49 4.963 4.565 0.398 1
1 529 . 18 1 1 A 49 49 PRO C C 49 177.105 175.736 1.369 1
1 530 . 18 1 1 A 49 49 PRO CA C 49 63.010 62.394 0.616 1
1 531 . 18 1 1 A 49 49 PRO CB C 49 32.625 32.015 0.610 1
1 534 . 18 1 1 A 50 50 LEU H H 50 8.937 8.568 0.369 1
1 535 . 18 1 1 A 50 50 LEU HA H 50 4.742 4.997 -0.255 1
1 545 . 18 1 1 A 50 50 LEU C C 50 176.147 176.115 0.032 1
1 546 . 18 1 1 A 50 50 LEU CA C 50 53.120 53.266 -0.146 1
1 547 . 18 1 1 A 50 50 LEU CB C 50 45.352 45.279 0.073 1
1 551 . 18 1 1 A 50 50 LEU N N 50 121.454 121.818 -0.364 1
1 552 . 18 1 1 A 51 51 SER H H 51 8.771 8.764 0.007 1
1 553 . 18 1 1 A 51 51 SER HA H 51 3.434 4.085 -0.651 1
1 556 . 18 1 1 A 51 51 SER C C 51 175.081 174.151 0.930 1
1 557 . 18 1 1 A 51 51 SER CA C 51 57.936 57.495 0.441 1
1 558 . 18 1 1 A 51 51 SER CB C 51 62.378 63.324 -0.946 1
1 559 . 18 1 1 A 51 51 SER N N 51 120.178 119.057 1.121 1
1 560 . 18 1 1 A 52 52 LEU H H 52 8.045 8.061 -0.016 1
1 561 . 18 1 1 A 52 52 LEU HA H 52 4.443 3.984 0.459 1
1 571 . 18 1 1 A 52 52 LEU C C 52 177.916 177.532 0.384 1
1 572 . 18 1 1 A 52 52 LEU CA C 52 55.105 57.837 -2.732 1
1 573 . 18 1 1 A 52 52 LEU CB C 52 42.762 41.451 1.311 1
1 577 . 18 1 1 A 52 52 LEU N N 52 125.348 127.821 -2.473 1
1 578 . 18 1 1 A 53 53 VAL H H 53 7.418 7.124 0.294 1
1 579 . 18 1 1 A 53 53 VAL HA H 53 3.841 3.734 0.107 1
1 587 . 18 1 1 A 53 53 VAL C C 53 178.123 177.013 1.110 1
1 588 . 18 1 1 A 53 53 VAL CA C 53 64.893 63.993 0.900 1
1 589 . 18 1 1 A 53 53 VAL CB C 53 30.973 31.302 -0.329 1
1 592 . 18 1 1 A 53 53 VAL N N 53 119.590 118.086 1.504 1
1 593 . 18 1 1 A 54 54 GLY H H 54 9.187 8.908 0.279 1
1 594 . 18 1 1 A 54 54 GLY HA2 H 54 4.292 4.068 0.224 1
1 595 . 18 1 1 A 54 54 GLY HA3 H 54 3.934 4.133 -0.199 1
1 596 . 18 1 1 A 54 54 GLY C C 54 175.275 174.898 0.377 1
1 597 . 18 1 1 A 54 54 GLY CA C 54 45.906 45.039 0.867 1
1 598 . 18 1 1 A 54 54 GLY N N 54 115.764 116.701 -0.937 1
1 599 . 18 1 1 A 55 55 CYS H H 55 7.871 8.394 -0.523 1
1 600 . 18 1 1 A 55 55 CYS HA H 55 5.052 4.766 0.286 1
1 603 . 18 1 1 A 55 55 CYS C C 55 174.112 173.498 0.614 1
1 604 . 18 1 1 A 55 55 CYS CA C 55 60.352 59.479 0.873 1
1 605 . 18 1 1 A 55 55 CYS CB C 55 28.779 29.551 -0.772 1
1 606 . 18 1 1 A 55 55 CYS N N 55 117.748 120.227 -2.479 1
1 607 . 18 1 1 A 56 56 GLU H H 56 9.140 9.046 0.094 1
1 608 . 18 1 1 A 56 56 GLU HA H 56 4.672 4.917 -0.245 1
1 612 . 18 1 1 A 56 56 GLU C C 56 175.105 174.622 0.483 1
1 613 . 18 1 1 A 56 56 GLU CA C 56 55.179 55.128 0.051 1
1 614 . 18 1 1 A 56 56 GLU CB C 56 33.097 33.565 -0.468 1
1 616 . 18 1 1 A 56 56 GLU N N 56 120.179 122.961 -2.782 1
1 617 . 18 1 1 A 57 57 VAL H H 57 8.385 8.853 -0.468 1
1 618 . 18 1 1 A 57 57 VAL HA H 57 5.238 4.601 0.637 1
1 626 . 18 1 1 A 57 57 VAL C C 57 175.238 175.870 -0.632 1
1 627 . 18 1 1 A 57 57 VAL CA C 57 61.064 62.446 -1.382 1
1 628 . 18 1 1 A 57 57 VAL CB C 57 33.429 31.688 1.741 1
1 631 . 18 1 1 A 57 57 VAL N N 57 122.535 127.670 -5.135 1
1 632 . 18 1 1 A 58 58 VAL H H 58 8.884 9.320 -0.436 1
1 633 . 18 1 1 A 58 58 VAL HA H 58 5.053 4.928 0.125 1
1 641 . 18 1 1 A 58 58 VAL C C 58 174.027 173.659 0.368 1
1 642 . 18 1 1 A 58 58 VAL CA C 58 57.977 57.960 0.017 1
1 643 . 18 1 1 A 58 58 VAL CB C 58 35.583 34.343 1.240 1
1 646 . 18 1 1 A 58 58 VAL N N 58 122.081 122.098 -0.017 1
1 647 . 18 1 1 A 59 59 PRO HA H 59 4.573 4.913 -0.340 1
1 654 . 18 1 1 A 59 59 PRO C C 59 175.457 175.187 0.270 1
1 655 . 18 1 1 A 59 59 PRO CA C 59 63.643 62.321 1.322 1
1 656 . 18 1 1 A 59 59 PRO CB C 59 32.915 29.805 3.110 1
1 659 . 18 1 1 A 60 60 ASP H H 60 8.989 8.468 0.521 1
1 660 . 18 1 1 A 60 60 ASP HA H 60 5.179 5.292 -0.113 1
1 663 . 18 1 1 A 60 60 ASP C C 60 172.742 174.164 -1.422 1
1 664 . 18 1 1 A 60 60 ASP CA C 60 52.698 51.062 1.636 1
1 665 . 18 1 1 A 60 60 ASP CB C 60 43.314 41.094 2.220 1
1 666 . 18 1 1 A 60 60 ASP N N 60 122.718 123.865 -1.147 1
1 667 . 18 1 1 A 61 61 PRO HA H 61 4.681 4.997 -0.316 1
1 674 . 18 1 1 A 61 61 PRO C C 61 177.420 175.672 1.748 1
1 675 . 18 1 1 A 61 61 PRO CA C 61 63.594 62.488 1.106 1
1 676 . 18 1 1 A 61 61 PRO CB C 61 32.950 32.588 0.362 1
1 679 . 18 1 1 A 62 62 SER H H 62 7.803 8.331 -0.528 1
1 680 . 18 1 1 A 62 62 SER HA H 62 4.797 4.991 -0.194 1
1 683 . 18 1 1 A 62 62 SER C C 62 174.851 174.800 0.051 1
1 684 . 18 1 1 A 62 62 SER CA C 62 56.896 55.720 1.176 1
1 685 . 18 1 1 A 62 62 SER CB C 62 63.959 64.891 -0.932 1
1 686 . 18 1 1 A 62 62 SER N N 62 115.582 116.095 -0.513 1
1 687 . 18 1 1 A 63 63 PRO HA H 63 4.089 4.467 -0.378 1
1 694 . 18 1 1 A 63 63 PRO C C 63 177.105 176.021 1.084 1
1 695 . 18 1 1 A 63 63 PRO CA C 63 66.024 64.101 1.923 1
1 696 . 18 1 1 A 63 63 PRO CB C 63 31.763 31.445 0.318 1
1 699 . 18 1 1 A 64 64 ASP H H 64 8.361 8.170 0.191 1
1 700 . 18 1 1 A 64 64 ASP HA H 64 4.290 4.819 -0.529 1
1 703 . 18 1 1 A 64 64 ASP C C 64 174.802 175.662 -0.860 1
1 704 . 18 1 1 A 64 64 ASP CA C 64 54.458 54.614 -0.156 1
1 705 . 18 1 1 A 64 64 ASP CB C 64 40.481 43.270 -2.789 1
1 706 . 18 1 1 A 64 64 ASP N N 64 111.867 117.376 -5.509 1
1 707 . 18 1 1 A 65 65 HIS H H 65 7.781 7.620 0.161 1
1 708 . 18 1 1 A 65 65 HIS HA H 65 4.558 4.672 -0.114 1
1 713 . 18 1 1 A 65 65 HIS C C 65 174.972 174.535 0.437 1
1 714 . 18 1 1 A 65 65 HIS CA C 65 54.370 54.330 0.040 1
1 715 . 18 1 1 A 65 65 HIS CB C 65 28.450 31.510 -3.060 1
1 718 . 18 1 1 A 65 65 HIS N N 65 120.793 116.111 4.682 1
1 719 . 18 1 1 A 66 66 LEU H H 66 8.206 7.950 0.256 1
1 720 . 18 1 1 A 66 66 LEU HA H 66 3.893 4.263 -0.370 1
1 730 . 18 1 1 A 66 66 LEU C C 66 178.826 176.305 2.521 1
1 731 . 18 1 1 A 66 66 LEU CA C 66 57.857 54.009 3.848 1
1 732 . 18 1 1 A 66 66 LEU CB C 66 42.245 41.031 1.214 1
1 736 . 18 1 1 A 66 66 LEU N N 66 124.390 125.686 -1.296 1
1 737 . 18 1 1 A 67 67 TYR H H 67 8.612 7.660 0.952 1
1 738 . 18 1 1 A 67 67 TYR HA H 67 5.417 4.892 0.525 1
1 745 . 18 1 1 A 67 67 TYR C C 67 176.403 175.476 0.927 1
1 746 . 18 1 1 A 67 67 TYR CA C 67 55.320 57.833 -2.513 1
1 747 . 18 1 1 A 67 67 TYR CB C 67 35.524 39.402 -3.878 1
1 752 . 18 1 1 A 67 67 TYR N N 67 118.042 119.966 -1.924 1
1 753 . 18 1 1 A 68 68 SER H H 68 6.652 7.647 -0.995 1
1 754 . 18 1 1 A 68 68 SER HA H 68 5.742 5.229 0.513 1
1 757 . 18 1 1 A 68 68 SER C C 68 174.827 173.937 0.890 1
1 758 . 18 1 1 A 68 68 SER CA C 68 56.147 56.169 -0.022 1
1 759 . 18 1 1 A 68 68 SER CB C 68 65.504 65.655 -0.151 1
1 760 . 18 1 1 A 68 68 SER N N 68 111.076 113.808 -2.732 1
1 761 . 18 1 1 A 69 69 PHE H H 69 9.089 8.685 0.404 1
1 762 . 18 1 1 A 69 69 PHE HA H 69 5.212 5.666 -0.454 1
1 770 . 18 1 1 A 69 69 PHE C C 69 171.676 172.984 -1.308 1
1 771 . 18 1 1 A 69 69 PHE CA C 69 55.918 55.398 0.520 1
1 772 . 18 1 1 A 69 69 PHE CB C 69 41.034 42.264 -1.230 1
1 778 . 18 1 1 A 69 69 PHE N N 69 121.539 118.610 2.929 1
1 779 . 18 1 1 A 70 70 ARG H H 70 9.299 9.017 0.282 1
1 780 . 18 1 1 A 70 70 ARG HA H 70 5.333 5.136 0.197 1
1 787 . 18 1 1 A 70 70 ARG C C 70 174.197 174.212 -0.015 1
1 788 . 18 1 1 A 70 70 ARG CA C 70 54.198 54.255 -0.057 1
1 789 . 18 1 1 A 70 70 ARG CB C 70 35.236 34.098 1.138 1
1 792 . 18 1 1 A 70 70 ARG N N 70 117.458 118.466 -1.008 1
1 794 . 18 1 1 A 71 71 ILE H H 71 8.505 8.574 -0.069 1
1 795 . 18 1 1 A 71 71 ILE HA H 71 4.974 5.362 -0.388 1
1 805 . 18 1 1 A 71 71 ILE C C 71 174.996 175.184 -0.188 1
1 806 . 18 1 1 A 71 71 ILE CA C 71 60.622 60.011 0.611 1
1 807 . 18 1 1 A 71 71 ILE CB C 71 39.636 40.891 -1.255 1
1 811 . 18 1 1 A 71 71 ILE N N 71 119.757 122.837 -3.080 1
1 812 . 18 1 1 A 72 72 LEU H H 72 9.488 9.042 0.446 1
1 813 . 18 1 1 A 72 72 LEU HA H 72 5.473 5.419 0.054 1
1 823 . 18 1 1 A 72 72 LEU C C 72 176.172 176.246 -0.074 1
1 824 . 18 1 1 A 72 72 LEU CA C 72 53.507 53.988 -0.481 1
1 825 . 18 1 1 A 72 72 LEU CB C 72 46.393 46.043 0.350 1
1 829 . 18 1 1 A 72 72 LEU N N 72 128.277 126.504 1.773 1
1 830 . 18 1 1 A 73 73 HIS H H 73 9.087 8.717 0.370 1
1 831 . 18 1 1 A 73 73 HIS HA H 73 4.888 4.553 0.335 1
1 836 . 18 1 1 A 73 73 HIS C C 73 175.118 175.810 -0.692 1
1 837 . 18 1 1 A 73 73 HIS CA C 73 56.675 58.258 -1.583 1
1 838 . 18 1 1 A 73 73 HIS CB C 73 32.933 31.692 1.241 1
1 841 . 18 1 1 A 73 73 HIS N N 73 119.084 123.015 -3.931 1
1 842 . 18 1 1 A 74 74 LYS H H 74 9.551 8.036 1.515 1
1 843 . 18 1 1 A 74 74 LYS HA H 74 3.763 4.313 -0.550 1
1 852 . 18 1 1 A 74 74 LYS C C 74 176.851 176.587 0.264 1
1 853 . 18 1 1 A 74 74 LYS CA C 74 56.969 55.180 1.789 1
1 854 . 18 1 1 A 74 74 LYS CB C 74 29.766 32.707 -2.941 1
1 858 . 18 1 1 A 74 74 LYS N N 74 128.764 116.840 11.924 1
1 859 . 18 1 1 A 75 75 GLY H H 75 8.877 8.053 0.824 1
1 860 . 18 1 1 A 75 75 GLY HA2 H 75 3.523 3.932 -0.409 1
1 861 . 18 1 1 A 75 75 GLY HA3 H 75 4.213 3.937 0.276 1
1 862 . 18 1 1 A 75 75 GLY C C 75 173.566 173.868 -0.302 1
1 863 . 18 1 1 A 75 75 GLY CA C 75 45.346 45.404 -0.058 1
1 864 . 18 1 1 A 75 75 GLY N N 75 104.552 108.093 -3.541 1
1 865 . 18 1 1 A 76 76 GLU H H 76 7.922 7.946 -0.024 1
1 866 . 18 1 1 A 76 76 GLU HA H 76 4.491 4.737 -0.246 1
1 871 . 18 1 1 A 76 76 GLU C C 76 175.651 174.849 0.802 1
1 872 . 18 1 1 A 76 76 GLU CA C 76 54.721 54.746 -0.025 1
1 873 . 18 1 1 A 76 76 GLU CB C 76 31.187 31.938 -0.751 1
1 875 . 18 1 1 A 76 76 GLU N N 76 121.492 119.522 1.970 1
1 876 . 18 1 1 A 77 77 GLU H H 77 8.925 8.697 0.228 1
1 877 . 18 1 1 A 77 77 GLU HA H 77 4.309 4.767 -0.458 1
1 881 . 18 1 1 A 77 77 GLU C C 77 175.857 175.326 0.531 1
1 882 . 18 1 1 A 77 77 GLU CA C 77 57.412 55.312 2.100 1
1 883 . 18 1 1 A 77 77 GLU CB C 77 31.146 31.425 -0.279 1
1 885 . 18 1 1 A 77 77 GLU N N 77 125.541 121.433 4.108 1
1 886 . 18 1 1 A 78 78 LEU H H 78 9.475 9.113 0.362 1
1 887 . 18 1 1 A 78 78 LEU HA H 78 4.513 4.415 0.098 1
1 897 . 18 1 1 A 78 78 LEU C C 78 177.541 176.749 0.792 1
1 898 . 18 1 1 A 78 78 LEU CA C 78 55.443 56.027 -0.584 1
1 899 . 18 1 1 A 78 78 LEU CB C 78 43.776 42.574 1.202 1
1 903 . 18 1 1 A 78 78 LEU N N 78 128.715 128.585 0.130 1
1 904 . 18 1 1 A 79 79 ALA H H 79 7.550 7.547 0.003 1
1 905 . 18 1 1 A 79 79 ALA HA H 79 4.503 4.630 -0.127 1
1 909 . 18 1 1 A 79 79 ALA C C 79 174.342 175.086 -0.744 1
1 910 . 18 1 1 A 79 79 ALA CA C 79 51.906 51.566 0.340 1
1 911 . 18 1 1 A 79 79 ALA CB C 79 22.017 22.754 -0.737 1
1 912 . 18 1 1 A 79 79 ALA N N 79 116.317 116.720 -0.403 1
1 913 . 18 1 1 A 80 80 LYS H H 80 8.743 8.671 0.072 1
1 914 . 18 1 1 A 80 80 LYS HA H 80 4.725 4.932 -0.207 1
1 923 . 18 1 1 A 80 80 LYS C C 80 172.973 174.771 -1.798 1
1 924 . 18 1 1 A 80 80 LYS CA C 80 56.604 54.921 1.683 1
1 925 . 18 1 1 A 80 80 LYS CB C 80 34.331 35.873 -1.542 1
1 929 . 18 1 1 A 80 80 LYS N N 80 123.623 120.471 3.152 1
1 930 . 18 1 1 A 81 81 LEU H H 81 8.504 8.589 -0.085 1
1 931 . 18 1 1 A 81 81 LEU HA H 81 5.531 5.420 0.111 1
1 941 . 18 1 1 A 81 81 LEU C C 81 176.366 175.347 1.019 1
1 942 . 18 1 1 A 81 81 LEU CA C 81 53.665 52.993 0.672 1
1 943 . 18 1 1 A 81 81 LEU CB C 81 45.969 45.198 0.771 1
1 947 . 18 1 1 A 81 81 LEU N N 81 124.594 127.774 -3.180 1
1 948 . 18 1 1 A 82 82 GLU H H 82 9.018 8.465 0.553 1
1 949 . 18 1 1 A 82 82 GLU HA H 82 4.826 4.739 0.087 1
1 954 . 18 1 1 A 82 82 GLU C C 82 174.439 175.134 -0.695 1
1 955 . 18 1 1 A 82 82 GLU CA C 82 56.376 54.928 1.448 1
1 956 . 18 1 1 A 82 82 GLU CB C 82 32.852 33.064 -0.212 1
1 958 . 18 1 1 A 82 82 GLU N N 82 118.819 121.389 -2.570 1
1 959 . 18 1 1 A 83 83 ALA H H 83 8.027 8.799 -0.772 1
1 960 . 18 1 1 A 83 83 ALA HA H 83 4.980 4.808 0.172 1
1 964 . 18 1 1 A 83 83 ALA C C 83 176.439 178.907 -2.468 1
1 965 . 18 1 1 A 83 83 ALA CA C 83 50.059 50.233 -0.174 1
1 966 . 18 1 1 A 83 83 ALA CB C 83 21.702 21.259 0.443 1
1 967 . 18 1 1 A 83 83 ALA N N 83 127.765 128.013 -0.248 1
1 968 . 18 1 1 A 84 84 LYS H H 84 9.017 8.665 0.352 1
1 969 . 18 1 1 A 84 84 LYS HA H 84 4.432 4.471 -0.039 1
1 977 . 18 1 1 A 84 84 LYS C C 84 175.930 176.067 -0.137 1
1 978 . 18 1 1 A 84 84 LYS CA C 84 56.956 56.742 0.214 1
1 979 . 18 1 1 A 84 84 LYS CB C 84 32.974 33.845 -0.871 1
1 983 . 18 1 1 A 84 84 LYS N N 84 115.456 116.670 -1.214 1
1 984 . 18 1 1 A 85 85 SER H H 85 7.324 7.590 -0.266 1
1 985 . 18 1 1 A 85 85 SER HA H 85 4.074 3.250 0.824 1
1 988 . 18 1 1 A 85 85 SER C C 85 173.421 173.775 -0.354 1
1 989 . 18 1 1 A 85 85 SER CA C 85 56.038 55.987 0.051 1
1 990 . 18 1 1 A 85 85 SER CB C 85 66.506 65.254 1.252 1
1 991 . 18 1 1 A 85 85 SER N N 85 110.261 114.558 -4.297 1
1 992 . 18 1 1 A 86 86 SER H H 86 8.610 8.430 0.180 1
1 993 . 18 1 1 A 86 86 SER HA H 86 3.648 4.376 -0.728 1
1 996 . 18 1 1 A 86 86 SER C C 86 177.784 176.483 1.301 1
1 997 . 18 1 1 A 86 86 SER CA C 86 61.391 61.380 0.011 1
1 998 . 18 1 1 A 86 86 SER CB C 86 62.378 62.819 -0.441 1
1 999 . 18 1 1 A 86 86 SER N N 86 117.136 120.396 -3.260 1
1 1000 . 18 1 1 A 87 87 GLU H H 87 8.890 8.111 0.779 1
1 1001 . 18 1 1 A 87 87 GLU HA H 87 4.031 4.063 -0.032 1
1 1006 . 18 1 1 A 87 87 GLU C C 87 179.492 178.482 1.010 1
1 1007 . 18 1 1 A 87 87 GLU CA C 87 59.983 59.071 0.912 1
1 1008 . 18 1 1 A 87 87 GLU CB C 87 28.969 29.250 -0.281 1
1 1010 . 18 1 1 A 87 87 GLU N N 87 123.189 121.400 1.789 1
1 1011 . 18 1 1 A 88 88 GLU H H 88 8.015 8.029 -0.014 1
1 1012 . 18 1 1 A 88 88 GLU HA H 88 4.243 4.171 0.072 1
1 1017 . 18 1 1 A 88 88 GLU C C 88 178.472 179.183 -0.711 1
1 1018 . 18 1 1 A 88 88 GLU CA C 88 59.642 59.258 0.384 1
1 1019 . 18 1 1 A 88 88 GLU CB C 88 31.016 29.436 1.580 1
1 1021 . 18 1 1 A 88 88 GLU N N 88 121.015 119.869 1.146 1
1 1022 . 18 1 1 A 89 89 MET H H 89 8.334 8.341 -0.007 1
1 1023 . 18 1 1 A 89 89 MET HA H 89 3.843 4.251 -0.408 1
1 1030 . 18 1 1 A 89 89 MET C C 89 177.396 178.544 -1.148 1
1 1031 . 18 1 1 A 89 89 MET CA C 89 60.458 58.041 2.417 1
1 1032 . 18 1 1 A 89 89 MET CB C 89 32.481 32.539 -0.058 1
1 1035 . 18 1 1 A 89 89 MET N N 89 119.764 119.203 0.561 1
1 1036 . 18 1 1 A 90 90 GLY H H 90 8.452 8.322 0.130 1
1 1037 . 18 1 1 A 90 90 GLY HA2 H 90 4.008 3.740 0.268 1
1 1038 . 18 1 1 A 90 90 GLY HA3 H 90 3.723 3.769 -0.046 1
1 1039 . 18 1 1 A 90 90 GLY C C 90 176.814 175.364 1.450 1
1 1040 . 18 1 1 A 90 90 GLY CA C 90 47.489 46.706 0.783 1
1 1041 . 18 1 1 A 90 90 GLY N N 90 105.180 108.575 -3.395 1
1 1042 . 18 1 1 A 91 91 HIS H H 91 7.919 7.844 0.075 1
1 1043 . 18 1 1 A 91 91 HIS HA H 91 4.329 4.244 0.085 1
1 1048 . 18 1 1 A 91 91 HIS C C 91 178.208 177.152 1.056 1
1 1049 . 18 1 1 A 91 91 HIS CA C 91 59.367 58.650 0.717 1
1 1050 . 18 1 1 A 91 91 HIS CB C 91 30.612 30.043 0.569 1
1 1053 . 18 1 1 A 91 91 HIS N N 91 121.929 120.937 0.992 1
1 1054 . 18 1 1 A 92 92 TRP H H 92 8.199 7.513 0.686 1
1 1055 . 18 1 1 A 92 92 TRP HA H 92 3.829 4.280 -0.451 1
1 1064 . 18 1 1 A 92 92 TRP C C 92 178.257 178.722 -0.465 1
1 1065 . 18 1 1 A 92 92 TRP CA C 92 62.464 59.380 3.084 1
1 1066 . 18 1 1 A 92 92 TRP CB C 92 29.190 29.628 -0.438 1
1 1072 . 18 1 1 A 92 92 TRP N N 92 120.070 117.535 2.535 1
1 1074 . 18 1 1 A 93 93 LEU H H 93 8.740 8.111 0.629 1
1 1075 . 18 1 1 A 93 93 LEU HA H 93 3.695 3.781 -0.086 1
1 1085 . 18 1 1 A 93 93 LEU C C 93 179.105 179.271 -0.166 1
1 1086 . 18 1 1 A 93 93 LEU CA C 93 59.076 58.253 0.823 1
1 1087 . 18 1 1 A 93 93 LEU CB C 93 40.993 41.947 -0.954 1
1 1091 . 18 1 1 A 93 93 LEU N N 93 119.445 120.256 -0.811 1
1 1092 . 18 1 1 A 94 94 GLY H H 94 7.616 8.065 -0.449 1
1 1093 . 18 1 1 A 94 94 GLY HA2 H 94 3.852 3.585 0.267 1
1 1094 . 18 1 1 A 94 94 GLY HA3 H 94 3.759 3.612 0.147 1
1 1095 . 18 1 1 A 94 94 GLY C C 94 176.693 175.504 1.189 1
1 1096 . 18 1 1 A 94 94 GLY CA C 94 47.120 47.203 -0.083 1
1 1097 . 18 1 1 A 94 94 GLY N N 94 102.951 105.406 -2.455 1
1 1098 . 18 1 1 A 95 95 LEU H H 95 7.853 7.534 0.319 1
1 1099 . 18 1 1 A 95 95 LEU HA H 95 4.024 3.964 0.060 1
1 1109 . 18 1 1 A 95 95 LEU C C 95 179.589 178.602 0.987 1
1 1110 . 18 1 1 A 95 95 LEU CA C 95 57.678 57.308 0.370 1
1 1111 . 18 1 1 A 95 95 LEU CB C 95 42.533 41.203 1.330 1
1 1115 . 18 1 1 A 95 95 LEU N N 95 123.479 122.987 0.492 1
1 1116 . 18 1 1 A 96 96 LEU H H 96 8.649 8.283 0.366 1
1 1117 . 18 1 1 A 96 96 LEU HA H 96 3.971 4.152 -0.181 1
1 1127 . 18 1 1 A 96 96 LEU C C 96 179.068 179.415 -0.347 1
1 1128 . 18 1 1 A 96 96 LEU CA C 96 57.906 57.551 0.355 1
1 1129 . 18 1 1 A 96 96 LEU CB C 96 42.104 41.292 0.812 1
1 1133 . 18 1 1 A 96 96 LEU N N 96 118.046 118.118 -0.072 1
1 1134 . 18 1 1 A 97 97 LEU H H 97 8.198 8.218 -0.020 1
1 1135 . 18 1 1 A 97 97 LEU HA H 97 4.234 4.167 0.067 1
1 1145 . 18 1 1 A 97 97 LEU C C 97 180.177 178.769 1.408 1
1 1146 . 18 1 1 A 97 97 LEU CA C 97 57.361 58.129 -0.768 1
1 1147 . 18 1 1 A 97 97 LEU CB C 97 41.611 41.962 -0.351 1
1 1151 . 18 1 1 A 97 97 LEU N N 97 118.670 120.078 -1.408 1
1 1152 . 18 1 1 A 98 98 SER H H 98 7.818 8.305 -0.487 1
1 1153 . 18 1 1 A 98 98 SER HA H 98 4.328 4.027 0.301 1
1 1156 . 18 1 1 A 98 98 SER C C 98 176.863 177.031 -0.168 1
1 1157 . 18 1 1 A 98 98 SER CA C 98 61.004 61.602 -0.598 1
1 1158 . 18 1 1 A 98 98 SER CB C 98 63.322 62.973 0.349 1
1 1159 . 18 1 1 A 98 98 SER N N 98 115.679 113.227 2.452 1
1 1160 . 18 1 1 A 99 99 GLU H H 99 8.003 8.071 -0.068 1
1 1161 . 18 1 1 A 99 99 GLU HA H 99 4.193 4.200 -0.007 1
1 1166 . 18 1 1 A 99 99 GLU C C 99 177.226 177.144 0.082 1
1 1167 . 18 1 1 A 99 99 GLU CA C 99 57.449 59.222 -1.773 1
1 1168 . 18 1 1 A 99 99 GLU CB C 99 30.260 29.605 0.655 1
1 1170 . 18 1 1 A 99 99 GLU N N 99 120.518 121.732 -1.214 1
1 1171 . 18 1 1 A 100 100 SER H H 100 7.892 8.272 -0.380 1
1 1172 . 18 1 1 A 100 100 SER HA H 100 4.582 4.410 0.172 1
1 1175 . 18 1 1 A 100 100 SER C C 100 175.881 175.128 0.753 1
1 1176 . 18 1 1 A 100 100 SER CA C 100 59.561 59.471 0.090 1
1 1177 . 18 1 1 A 100 100 SER CB C 100 64.188 62.333 1.855 1
1 1178 . 18 1 1 A 100 100 SER N N 100 113.686 110.731 2.955 1
1 1179 . 18 1 1 A 101 101 GLY H H 101 7.861 8.367 -0.506 1
1 1180 . 18 1 1 A 101 101 GLY HA2 H 101 4.114 4.007 0.107 1
1 1181 . 18 1 1 A 101 101 GLY HA3 H 101 4.063 4.011 0.052 1
1 1182 . 18 1 1 A 101 101 GLY C C 101 174.076 174.818 -0.742 1
1 1183 . 18 1 1 A 101 101 GLY CA C 101 45.501 45.224 0.277 1
1 1184 . 18 1 1 A 101 101 GLY N N 101 109.148 114.780 -5.632 1
1 1185 . 18 1 1 A 102 102 SER H H 102 8.260 7.828 0.432 1
1 1186 . 18 1 1 A 102 102 SER HA H 102 4.543 4.150 0.393 1
1 1189 . 18 1 1 A 102 102 SER C C 102 174.851 173.727 1.124 1
1 1190 . 18 1 1 A 102 102 SER CA C 102 58.646 58.966 -0.320 1
1 1191 . 18 1 1 A 102 102 SER CB C 102 64.211 61.793 2.418 1
1 1192 . 18 1 1 A 102 102 SER N N 102 116.298 116.107 0.191 1
1 1193 . 18 1 1 A 103 103 GLY H H 103 8.252 8.209 0.043 1
1 1194 . 18 1 1 A 103 103 GLY HA2 H 103 4.173 4.014 0.159 1
1 1195 . 18 1 1 A 103 103 GLY HA3 H 103 4.074 4.015 0.059 1
1 1196 . 18 1 1 A 103 103 GLY C C 103 171.773 173.004 -1.231 1
1 1197 . 18 1 1 A 103 103 GLY CA C 103 44.777 44.152 0.625 1
1 1198 . 18 1 1 A 103 103 GLY N N 103 110.162 108.982 1.180 1
1 1199 . 18 1 1 A 104 104 PRO HA H 104 4.515 4.657 -0.142 1
1 1206 . 18 1 1 A 104 104 PRO CA C 104 63.224 62.804 0.420 1
1 1207 . 18 1 1 A 104 104 PRO CB C 104 32.174 31.658 0.516 1
1 1210 . 18 1 1 A 105 105 SER H H 105 8.559 8.640 -0.081 1
1 1211 . 18 1 1 A 105 105 SER CA C 105 60.998 57.476 3.522 1
1 1212 . 18 1 1 A 105 105 SER CB C 105 63.768 67.126 -3.358 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.952 4.205 -0.253 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.952 4.215 -0.263 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.197 171.788 2.409 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.378 44.621 0.757 1
1 5 . 19 1 1 A 8 8 LEU H H 8 8.030 8.913 -0.883 1
1 6 . 19 1 1 A 8 8 LEU HA H 8 4.321 5.122 -0.801 1
1 16 . 19 1 1 A 8 8 LEU C C 8 177.468 174.064 3.404 1
1 17 . 19 1 1 A 8 8 LEU CA C 8 55.320 53.383 1.937 1
1 18 . 19 1 1 A 8 8 LEU CB C 8 42.556 46.279 -3.723 1
1 22 . 19 1 1 A 8 8 LEU N N 8 121.494 124.986 -3.492 1
1 23 . 19 1 1 A 9 9 GLU H H 9 8.577 8.474 0.103 1
1 24 . 19 1 1 A 9 9 GLU HA H 9 4.454 4.820 -0.366 1
1 29 . 19 1 1 A 9 9 GLU C C 9 177.056 177.606 -0.550 1
1 30 . 19 1 1 A 9 9 GLU CA C 9 56.956 54.267 2.689 1
1 31 . 19 1 1 A 9 9 GLU CB C 9 30.237 32.827 -2.590 1
1 33 . 19 1 1 A 9 9 GLU N N 9 121.449 124.292 -2.843 1
1 34 . 19 1 1 A 10 10 THR H H 10 8.189 8.737 -0.548 1
1 35 . 19 1 1 A 10 10 THR HA H 10 4.323 3.823 0.500 1
1 40 . 19 1 1 A 10 10 THR CA C 10 62.062 65.728 -3.666 1
1 41 . 19 1 1 A 10 10 THR CB C 10 69.441 68.523 0.918 1
1 43 . 19 1 1 A 10 10 THR N N 10 113.730 119.224 -5.494 1
1 44 . 19 1 1 A 11 11 SER H H 11 7.883 7.852 0.031 1
1 45 . 19 1 1 A 11 11 SER HA H 11 5.249 4.619 0.630 1
1 48 . 19 1 1 A 11 11 SER CA C 11 57.852 57.967 -0.115 1
1 49 . 19 1 1 A 11 11 SER CB C 11 65.426 62.504 2.922 1
1 50 . 19 1 1 A 12 12 SER H H 12 8.413 9.150 -0.737 1
1 51 . 19 1 1 A 12 12 SER HA H 12 4.467 4.847 -0.380 1
1 54 . 19 1 1 A 12 12 SER CA C 12 58.741 57.601 1.140 1
1 55 . 19 1 1 A 12 12 SER CB C 12 65.239 64.548 0.691 1
1 56 . 19 1 1 A 12 12 SER N N 12 116.995 120.733 -3.738 1
1 57 . 19 1 1 A 13 13 TYR H H 13 8.156 8.137 0.019 1
1 58 . 19 1 1 A 13 13 TYR HA H 13 4.936 4.503 0.433 1
1 65 . 19 1 1 A 13 13 TYR CA C 13 58.533 59.140 -0.607 1
1 68 . 19 1 1 A 13 13 TYR N N 13 121.972 124.368 -2.396 1
1 69 . 19 1 1 A 14 14 LEU H H 14 8.803 8.826 -0.023 1
1 70 . 19 1 1 A 14 14 LEU HA H 14 4.573 4.942 -0.369 1
1 80 . 19 1 1 A 14 14 LEU C C 14 175.845 175.439 0.406 1
1 81 . 19 1 1 A 14 14 LEU CA C 14 54.141 53.343 0.798 1
1 82 . 19 1 1 A 14 14 LEU CB C 14 46.603 44.597 2.006 1
1 86 . 19 1 1 A 14 14 LEU N N 14 123.967 125.504 -1.537 1
1 87 . 19 1 1 A 15 15 ASN H H 15 8.090 8.776 -0.686 1
1 88 . 19 1 1 A 15 15 ASN HA H 15 5.669 5.080 0.589 1
1 93 . 19 1 1 A 15 15 ASN C C 15 174.972 174.268 0.704 1
1 94 . 19 1 1 A 15 15 ASN CA C 15 51.589 52.853 -1.264 1
1 95 . 19 1 1 A 15 15 ASN CB C 15 40.317 39.262 1.055 1
1 96 . 19 1 1 A 15 15 ASN N N 15 117.248 119.582 -2.334 1
1 98 . 19 1 1 A 16 16 VAL H H 16 9.452 8.315 1.137 1
1 99 . 19 1 1 A 16 16 VAL HA H 16 4.743 4.637 0.106 1
1 107 . 19 1 1 A 16 16 VAL C C 16 174.269 176.412 -2.143 1
1 108 . 19 1 1 A 16 16 VAL CA C 16 60.574 62.025 -1.451 1
1 109 . 19 1 1 A 16 16 VAL CB C 16 35.194 32.414 2.780 1
1 112 . 19 1 1 A 16 16 VAL N N 16 122.909 125.722 -2.813 1
1 113 . 19 1 1 A 17 17 LEU H H 17 7.892 8.495 -0.603 1
1 114 . 19 1 1 A 17 17 LEU HA H 17 3.679 4.189 -0.510 1
1 124 . 19 1 1 A 17 17 LEU C C 17 175.747 176.075 -0.328 1
1 125 . 19 1 1 A 17 17 LEU CA C 17 54.493 56.316 -1.823 1
1 126 . 19 1 1 A 17 17 LEU CB C 17 40.541 41.639 -1.098 1
1 130 . 19 1 1 A 17 17 LEU N N 17 130.093 130.468 -0.375 1
1 131 . 19 1 1 A 18 18 VAL H H 18 8.923 8.780 0.143 1
1 132 . 19 1 1 A 18 18 VAL HA H 18 4.053 3.991 0.062 1
1 140 . 19 1 1 A 18 18 VAL C C 18 175.869 175.734 0.135 1
1 141 . 19 1 1 A 18 18 VAL CA C 18 61.285 63.929 -2.644 1
1 142 . 19 1 1 A 18 18 VAL CB C 18 33.609 31.956 1.653 1
1 145 . 19 1 1 A 18 18 VAL N N 18 130.417 126.611 3.806 1
1 146 . 19 1 1 A 19 19 ASN H H 19 9.323 8.050 1.273 1
1 147 . 19 1 1 A 19 19 ASN HA H 19 4.232 4.859 -0.627 1
1 152 . 19 1 1 A 19 19 ASN C C 19 174.948 175.121 -0.173 1
1 153 . 19 1 1 A 19 19 ASN CA C 19 54.809 51.767 3.042 1
1 154 . 19 1 1 A 19 19 ASN CB C 19 37.192 38.349 -1.157 1
1 155 . 19 1 1 A 19 19 ASN N N 19 127.579 118.590 8.989 1
1 157 . 19 1 1 A 20 20 SER H H 20 8.464 8.116 0.348 1
1 158 . 19 1 1 A 20 20 SER HA H 20 3.653 3.863 -0.210 1
1 161 . 19 1 1 A 20 20 SER C C 20 172.645 172.731 -0.086 1
1 162 . 19 1 1 A 20 20 SER CA C 20 60.458 59.230 1.228 1
1 163 . 19 1 1 A 20 20 SER CB C 20 62.584 62.224 0.360 1
1 164 . 19 1 1 A 20 20 SER N N 20 106.869 114.044 -7.175 1
1 165 . 19 1 1 A 21 21 GLN H H 21 7.695 7.373 0.322 1
1 166 . 19 1 1 A 21 21 GLN HA H 21 4.591 4.553 0.038 1
1 173 . 19 1 1 A 21 21 GLN C C 21 174.003 174.468 -0.465 1
1 174 . 19 1 1 A 21 21 GLN CA C 21 53.772 54.209 -0.437 1
1 175 . 19 1 1 A 21 21 GLN CB C 21 32.069 32.809 -0.740 1
1 177 . 19 1 1 A 21 21 GLN N N 21 120.372 117.952 2.420 1
1 179 . 19 1 1 A 22 22 TRP H H 22 8.743 8.766 -0.023 1
1 180 . 19 1 1 A 22 22 TRP HA H 22 4.690 4.920 -0.230 1
1 189 . 19 1 1 A 22 22 TRP C C 22 176.863 176.158 0.705 1
1 190 . 19 1 1 A 22 22 TRP CA C 22 57.062 57.141 -0.079 1
1 191 . 19 1 1 A 22 22 TRP CB C 22 29.323 29.520 -0.197 1
1 197 . 19 1 1 A 22 22 TRP N N 22 124.919 122.449 2.470 1
1 199 . 19 1 1 A 23 23 LYS H H 23 9.302 8.393 0.909 1
1 200 . 19 1 1 A 23 23 LYS HA H 23 4.798 4.769 0.029 1
1 208 . 19 1 1 A 23 23 LYS C C 23 176.050 176.498 -0.448 1
1 209 . 19 1 1 A 23 23 LYS CA C 23 54.106 54.519 -0.413 1
1 210 . 19 1 1 A 23 23 LYS CB C 23 35.583 35.460 0.123 1
1 214 . 19 1 1 A 23 23 LYS N N 23 124.474 125.358 -0.884 1
1 215 . 19 1 1 A 24 24 SER H H 24 8.740 8.605 0.135 1
1 216 . 19 1 1 A 24 24 SER HA H 24 5.035 4.466 0.569 1
1 219 . 19 1 1 A 24 24 SER C C 24 175.905 174.768 1.137 1
1 220 . 19 1 1 A 24 24 SER CA C 24 58.857 60.129 -1.272 1
1 221 . 19 1 1 A 24 24 SER CB C 24 63.489 63.602 -0.113 1
1 222 . 19 1 1 A 24 24 SER N N 24 118.568 118.690 -0.122 1
1 223 . 19 1 1 A 25 25 ARG H H 25 9.302 8.222 1.080 1
1 224 . 19 1 1 A 25 25 ARG HA H 25 4.946 4.859 0.087 1
1 231 . 19 1 1 A 25 25 ARG C C 25 173.724 174.145 -0.421 1
1 232 . 19 1 1 A 25 25 ARG CA C 25 54.440 55.215 -0.775 1
1 233 . 19 1 1 A 25 25 ARG CB C 25 34.825 34.378 0.447 1
1 236 . 19 1 1 A 25 25 ARG N N 25 126.895 125.169 1.726 1
1 237 . 19 1 1 A 26 26 TRP H H 26 8.668 8.801 -0.133 1
1 238 . 19 1 1 A 26 26 TRP HA H 26 4.780 5.194 -0.414 1
1 247 . 19 1 1 A 26 26 TRP C C 26 175.796 175.085 0.711 1
1 248 . 19 1 1 A 26 26 TRP CA C 26 57.555 56.646 0.909 1
1 249 . 19 1 1 A 26 26 TRP CB C 26 29.833 31.187 -1.354 1
1 255 . 19 1 1 A 26 26 TRP N N 26 123.493 127.544 -4.051 1
1 257 . 19 1 1 A 27 27 CYS H H 27 8.884 9.077 -0.193 1
1 258 . 19 1 1 A 27 27 CYS HA H 27 5.668 5.568 0.100 1
1 261 . 19 1 1 A 27 27 CYS C C 27 174.560 173.506 1.054 1
1 262 . 19 1 1 A 27 27 CYS CA C 27 58.184 57.491 0.693 1
1 263 . 19 1 1 A 27 27 CYS CB C 27 31.516 29.834 1.682 1
1 264 . 19 1 1 A 27 27 CYS N N 27 124.947 126.939 -1.992 1
1 265 . 19 1 1 A 28 28 SER H H 28 8.566 8.955 -0.389 1
1 266 . 19 1 1 A 28 28 SER HA H 28 5.240 5.534 -0.294 1
1 269 . 19 1 1 A 28 28 SER C C 28 173.106 173.233 -0.127 1
1 270 . 19 1 1 A 28 28 SER CA C 28 57.027 56.909 0.118 1
1 271 . 19 1 1 A 28 28 SER CB C 28 66.738 65.428 1.310 1
1 272 . 19 1 1 A 28 28 SER N N 28 114.751 119.969 -5.218 1
1 273 . 19 1 1 A 29 29 VAL H H 29 8.843 9.027 -0.184 1
1 274 . 19 1 1 A 29 29 VAL HA H 29 5.302 5.286 0.016 1
1 282 . 19 1 1 A 29 29 VAL C C 29 175.905 175.397 0.508 1
1 283 . 19 1 1 A 29 29 VAL CA C 29 61.233 61.313 -0.080 1
1 284 . 19 1 1 A 29 29 VAL CB C 29 32.832 33.783 -0.951 1
1 287 . 19 1 1 A 29 29 VAL N N 29 125.688 127.620 -1.932 1
1 288 . 19 1 1 A 30 30 ARG H H 30 8.964 8.706 0.258 1
1 289 . 19 1 1 A 30 30 ARG HA H 30 4.620 4.549 0.071 1
1 295 . 19 1 1 A 30 30 ARG C C 30 176.160 175.019 1.141 1
1 296 . 19 1 1 A 30 30 ARG CA C 30 55.901 57.562 -1.661 1
1 297 . 19 1 1 A 30 30 ARG CB C 30 33.198 32.601 0.597 1
1 300 . 19 1 1 A 30 30 ARG N N 30 125.513 128.519 -3.006 1
1 301 . 19 1 1 A 31 31 ASP H H 31 9.773 8.316 1.457 1
1 302 . 19 1 1 A 31 31 ASP HA H 31 4.451 4.706 -0.255 1
1 305 . 19 1 1 A 31 31 ASP C C 31 177.008 175.834 1.174 1
1 306 . 19 1 1 A 31 31 ASP CA C 31 55.936 52.983 2.953 1
1 307 . 19 1 1 A 31 31 ASP CB C 31 39.659 40.018 -0.359 1
1 308 . 19 1 1 A 31 31 ASP N N 31 127.085 119.740 7.345 1
1 309 . 19 1 1 A 32 32 ASN H H 32 9.639 8.179 1.460 1
1 310 . 19 1 1 A 32 32 ASN HA H 32 4.535 4.323 0.212 1
1 315 . 19 1 1 A 32 32 ASN C C 32 172.766 173.854 -1.088 1
1 316 . 19 1 1 A 32 32 ASN CA C 32 55.549 54.216 1.333 1
1 317 . 19 1 1 A 32 32 ASN CB C 32 38.238 37.172 1.066 1
1 318 . 19 1 1 A 32 32 ASN N N 32 112.101 121.460 -9.359 1
1 320 . 19 1 1 A 33 33 HIS H H 33 8.292 7.764 0.528 1
1 321 . 19 1 1 A 33 33 HIS HA H 33 5.368 5.428 -0.060 1
1 326 . 19 1 1 A 33 33 HIS C C 33 172.718 173.392 -0.674 1
1 327 . 19 1 1 A 33 33 HIS CA C 33 55.303 54.769 0.534 1
1 328 . 19 1 1 A 33 33 HIS CB C 33 32.851 33.827 -0.976 1
1 331 . 19 1 1 A 33 33 HIS N N 33 116.294 116.220 0.074 1
1 332 . 19 1 1 A 34 34 LEU H H 34 8.987 8.749 0.238 1
1 333 . 19 1 1 A 34 34 LEU HA H 34 4.784 4.935 -0.151 1
1 342 . 19 1 1 A 34 34 LEU C C 34 173.240 174.951 -1.711 1
1 343 . 19 1 1 A 34 34 LEU CA C 34 53.719 53.409 0.310 1
1 344 . 19 1 1 A 34 34 LEU CB C 34 45.147 43.947 1.200 1
1 348 . 19 1 1 A 34 34 LEU N N 34 122.961 125.206 -2.245 1
1 349 . 19 1 1 A 35 35 HIS H H 35 9.169 9.341 -0.172 1
1 350 . 19 1 1 A 35 35 HIS HA H 35 4.713 4.932 -0.219 1
1 355 . 19 1 1 A 35 35 HIS C C 35 174.778 174.809 -0.031 1
1 356 . 19 1 1 A 35 35 HIS CA C 35 55.284 56.223 -0.939 1
1 357 . 19 1 1 A 35 35 HIS CB C 35 34.455 31.680 2.775 1
1 360 . 19 1 1 A 35 35 HIS N N 35 125.201 126.163 -0.962 1
1 361 . 19 1 1 A 36 36 PHE H H 36 9.522 8.828 0.694 1
1 362 . 19 1 1 A 36 36 PHE HA H 36 5.014 5.394 -0.380 1
1 370 . 19 1 1 A 36 36 PHE C C 36 174.911 174.018 0.893 1
1 371 . 19 1 1 A 36 36 PHE CA C 36 56.217 56.260 -0.043 1
1 372 . 19 1 1 A 36 36 PHE CB C 36 43.666 42.466 1.200 1
1 378 . 19 1 1 A 36 36 PHE N N 36 118.294 119.035 -0.741 1
1 379 . 19 1 1 A 37 37 TYR H H 37 9.783 8.976 0.807 1
1 380 . 19 1 1 A 37 37 TYR HA H 37 5.453 5.136 0.317 1
1 387 . 19 1 1 A 37 37 TYR C C 37 176.475 175.423 1.052 1
1 388 . 19 1 1 A 37 37 TYR CA C 37 57.185 56.457 0.728 1
1 389 . 19 1 1 A 37 37 TYR CB C 37 41.569 43.388 -1.819 1
1 394 . 19 1 1 A 37 37 TYR N N 37 121.241 120.993 0.248 1
1 395 . 19 1 1 A 38 38 GLN H H 38 9.233 8.885 0.348 1
1 396 . 19 1 1 A 38 38 GLN HA H 38 4.480 4.711 -0.231 1
1 403 . 19 1 1 A 38 38 GLN C C 38 175.408 175.758 -0.350 1
1 404 . 19 1 1 A 38 38 GLN CA C 38 57.977 57.048 0.929 1
1 405 . 19 1 1 A 38 38 GLN CB C 38 29.825 30.383 -0.558 1
1 407 . 19 1 1 A 38 38 GLN N N 38 119.348 119.679 -0.331 1
1 409 . 19 1 1 A 39 39 ASP H H 39 8.674 7.956 0.718 1
1 410 . 19 1 1 A 39 39 ASP HA H 39 4.849 4.997 -0.148 1
1 413 . 19 1 1 A 39 39 ASP CA C 39 52.402 52.829 -0.427 1
1 414 . 19 1 1 A 39 39 ASP CB C 39 43.525 44.223 -0.698 1
1 415 . 19 1 1 A 40 40 ARG H H 40 7.823 9.269 -1.446 1
1 416 . 19 1 1 A 40 40 ARG HA H 40 2.342 3.997 -1.655 1
1 423 . 19 1 1 A 40 40 ARG CA C 40 57.183 57.251 -0.068 1
1 424 . 19 1 1 A 40 40 ARG CB C 40 29.300 28.522 0.778 1
1 427 . 19 1 1 A 40 40 ARG N N 40 119.412 116.623 2.789 1
1 428 . 19 1 1 A 41 41 ASN H H 41 7.601 8.454 -0.853 1
1 429 . 19 1 1 A 41 41 ASN HA H 41 4.408 4.180 0.228 1
1 434 . 19 1 1 A 41 41 ASN C C 41 174.584 174.362 0.222 1
1 435 . 19 1 1 A 41 41 ASN CA C 41 53.396 54.524 -1.128 1
1 436 . 19 1 1 A 41 41 ASN CB C 41 37.847 36.658 1.189 1
1 437 . 19 1 1 A 41 41 ASN N N 41 114.895 108.926 5.969 1
1 439 . 19 1 1 A 42 42 ARG H H 42 7.927 8.133 -0.206 1
1 440 . 19 1 1 A 42 42 ARG HA H 42 3.271 3.792 -0.521 1
1 446 . 19 1 1 A 42 42 ARG CA C 42 57.164 56.651 0.513 1
1 449 . 19 1 1 A 42 42 ARG N N 42 115.263 110.308 4.955 1
1 450 . 19 1 1 A 43 43 SER H H 43 9.112 8.000 1.112 1
1 451 . 19 1 1 A 43 43 SER HA H 43 4.444 4.414 0.030 1
1 454 . 19 1 1 A 43 43 SER CA C 43 59.742 61.183 -1.441 1
1 455 . 19 1 1 A 43 43 SER CB C 43 64.693 63.978 0.715 1
1 456 . 19 1 1 A 43 43 SER N N 43 115.094 112.632 2.462 1
1 457 . 19 1 1 A 44 44 LYS H H 44 8.543 7.252 1.291 1
1 458 . 19 1 1 A 44 44 LYS HA H 44 4.784 4.463 0.321 1
1 464 . 19 1 1 A 44 44 LYS C C 44 175.723 175.426 0.297 1
1 465 . 19 1 1 A 44 44 LYS CA C 44 55.091 54.951 0.140 1
1 466 . 19 1 1 A 44 44 LYS CB C 44 34.642 31.127 3.515 1
1 470 . 19 1 1 A 45 45 VAL H H 45 8.965 7.965 1.000 1
1 471 . 19 1 1 A 45 45 VAL HA H 45 4.043 4.105 -0.062 1
1 479 . 19 1 1 A 45 45 VAL C C 45 176.656 176.416 0.240 1
1 480 . 19 1 1 A 45 45 VAL CA C 45 63.883 63.657 0.226 1
1 481 . 19 1 1 A 45 45 VAL CB C 45 32.621 31.544 1.077 1
1 484 . 19 1 1 A 45 45 VAL N N 45 127.663 123.916 3.747 1
1 485 . 19 1 1 A 46 46 ALA H H 46 9.214 8.724 0.490 1
1 486 . 19 1 1 A 46 46 ALA HA H 46 4.523 4.125 0.398 1
1 490 . 19 1 1 A 46 46 ALA C C 46 176.560 177.266 -0.706 1
1 491 . 19 1 1 A 46 46 ALA CA C 46 52.610 54.648 -2.038 1
1 492 . 19 1 1 A 46 46 ALA CB C 46 20.929 19.389 1.540 1
1 493 . 19 1 1 A 46 46 ALA N N 46 129.165 130.893 -1.728 1
1 494 . 19 1 1 A 47 47 GLN H H 47 7.504 7.617 -0.113 1
1 495 . 19 1 1 A 47 47 GLN HA H 47 4.494 4.580 -0.086 1
1 502 . 19 1 1 A 47 47 GLN C C 47 173.057 174.560 -1.503 1
1 503 . 19 1 1 A 47 47 GLN CA C 47 54.458 54.559 -0.101 1
1 504 . 19 1 1 A 47 47 GLN CB C 47 30.918 30.866 0.052 1
1 506 . 19 1 1 A 47 47 GLN N N 47 112.591 111.229 1.362 1
1 508 . 19 1 1 A 48 48 GLN H H 48 8.541 8.277 0.264 1
1 509 . 19 1 1 A 48 48 GLN HA H 48 4.420 4.509 -0.089 1
1 516 . 19 1 1 A 48 48 GLN C C 48 172.864 174.033 -1.169 1
1 517 . 19 1 1 A 48 48 GLN CA C 48 54.774 54.515 0.259 1
1 518 . 19 1 1 A 48 48 GLN CB C 48 28.017 27.899 0.118 1
1 520 . 19 1 1 A 48 48 GLN N N 48 120.933 120.049 0.884 1
1 522 . 19 1 1 A 49 49 PRO HA H 49 4.963 4.696 0.267 1
1 529 . 19 1 1 A 49 49 PRO C C 49 177.105 175.402 1.703 1
1 530 . 19 1 1 A 49 49 PRO CA C 49 63.010 62.415 0.595 1
1 531 . 19 1 1 A 49 49 PRO CB C 49 32.625 32.405 0.220 1
1 534 . 19 1 1 A 50 50 LEU H H 50 8.937 8.485 0.452 1
1 535 . 19 1 1 A 50 50 LEU HA H 50 4.742 5.076 -0.334 1
1 545 . 19 1 1 A 50 50 LEU C C 50 176.147 175.431 0.716 1
1 546 . 19 1 1 A 50 50 LEU CA C 50 53.120 53.440 -0.320 1
1 547 . 19 1 1 A 50 50 LEU CB C 50 45.352 43.985 1.367 1
1 551 . 19 1 1 A 50 50 LEU N N 50 121.454 121.996 -0.542 1
1 552 . 19 1 1 A 51 51 SER H H 51 8.771 8.691 0.080 1
1 553 . 19 1 1 A 51 51 SER HA H 51 3.434 4.303 -0.869 1
1 556 . 19 1 1 A 51 51 SER C C 51 175.081 174.590 0.491 1
1 557 . 19 1 1 A 51 51 SER CA C 51 57.936 56.779 1.157 1
1 558 . 19 1 1 A 51 51 SER CB C 51 62.378 62.753 -0.375 1
1 559 . 19 1 1 A 51 51 SER N N 51 120.178 117.847 2.331 1
1 560 . 19 1 1 A 52 52 LEU H H 52 8.045 7.879 0.166 1
1 561 . 19 1 1 A 52 52 LEU HA H 52 4.443 3.873 0.570 1
1 571 . 19 1 1 A 52 52 LEU C C 52 177.916 177.809 0.107 1
1 572 . 19 1 1 A 52 52 LEU CA C 52 55.105 57.887 -2.782 1
1 573 . 19 1 1 A 52 52 LEU CB C 52 42.762 41.293 1.469 1
1 577 . 19 1 1 A 52 52 LEU N N 52 125.348 127.907 -2.559 1
1 578 . 19 1 1 A 53 53 VAL H H 53 7.418 7.476 -0.058 1
1 579 . 19 1 1 A 53 53 VAL HA H 53 3.841 3.763 0.078 1
1 587 . 19 1 1 A 53 53 VAL C C 53 178.123 177.090 1.033 1
1 588 . 19 1 1 A 53 53 VAL CA C 53 64.893 64.873 0.020 1
1 589 . 19 1 1 A 53 53 VAL CB C 53 30.973 31.168 -0.195 1
1 592 . 19 1 1 A 53 53 VAL N N 53 119.590 118.255 1.335 1
1 593 . 19 1 1 A 54 54 GLY H H 54 9.187 8.752 0.435 1
1 594 . 19 1 1 A 54 54 GLY HA2 H 54 4.292 3.776 0.516 1
1 595 . 19 1 1 A 54 54 GLY HA3 H 54 3.934 3.848 0.086 1
1 596 . 19 1 1 A 54 54 GLY C C 54 175.275 174.535 0.740 1
1 597 . 19 1 1 A 54 54 GLY CA C 54 45.906 44.780 1.126 1
1 598 . 19 1 1 A 54 54 GLY N N 54 115.764 114.790 0.974 1
1 599 . 19 1 1 A 55 55 CYS H H 55 7.871 8.128 -0.257 1
1 600 . 19 1 1 A 55 55 CYS HA H 55 5.052 4.343 0.709 1
1 603 . 19 1 1 A 55 55 CYS C C 55 174.112 173.312 0.800 1
1 604 . 19 1 1 A 55 55 CYS CA C 55 60.352 59.205 1.147 1
1 605 . 19 1 1 A 55 55 CYS CB C 55 28.779 29.298 -0.519 1
1 606 . 19 1 1 A 55 55 CYS N N 55 117.748 120.027 -2.279 1
1 607 . 19 1 1 A 56 56 GLU H H 56 9.140 8.709 0.431 1
1 608 . 19 1 1 A 56 56 GLU HA H 56 4.672 4.812 -0.140 1
1 612 . 19 1 1 A 56 56 GLU C C 56 175.105 174.501 0.604 1
1 613 . 19 1 1 A 56 56 GLU CA C 56 55.179 55.265 -0.086 1
1 614 . 19 1 1 A 56 56 GLU CB C 56 33.097 33.585 -0.488 1
1 616 . 19 1 1 A 56 56 GLU N N 56 120.179 121.883 -1.704 1
1 617 . 19 1 1 A 57 57 VAL H H 57 8.385 8.867 -0.482 1
1 618 . 19 1 1 A 57 57 VAL HA H 57 5.238 4.756 0.482 1
1 626 . 19 1 1 A 57 57 VAL C C 57 175.238 175.814 -0.576 1
1 627 . 19 1 1 A 57 57 VAL CA C 57 61.064 62.096 -1.032 1
1 628 . 19 1 1 A 57 57 VAL CB C 57 33.429 32.167 1.262 1
1 631 . 19 1 1 A 57 57 VAL N N 57 122.535 127.730 -5.195 1
1 632 . 19 1 1 A 58 58 VAL H H 58 8.884 9.082 -0.198 1
1 633 . 19 1 1 A 58 58 VAL HA H 58 5.053 4.920 0.133 1
1 641 . 19 1 1 A 58 58 VAL C C 58 174.027 173.649 0.378 1
1 642 . 19 1 1 A 58 58 VAL CA C 58 57.977 57.954 0.023 1
1 643 . 19 1 1 A 58 58 VAL CB C 58 35.583 34.316 1.267 1
1 646 . 19 1 1 A 58 58 VAL N N 58 122.081 122.039 0.042 1
1 647 . 19 1 1 A 59 59 PRO HA H 59 4.573 4.910 -0.337 1
1 654 . 19 1 1 A 59 59 PRO C C 59 175.457 175.191 0.266 1
1 655 . 19 1 1 A 59 59 PRO CA C 59 63.643 62.406 1.237 1
1 656 . 19 1 1 A 59 59 PRO CB C 59 32.915 30.019 2.896 1
1 659 . 19 1 1 A 60 60 ASP H H 60 8.989 8.383 0.606 1
1 660 . 19 1 1 A 60 60 ASP HA H 60 5.179 5.320 -0.141 1
1 663 . 19 1 1 A 60 60 ASP C C 60 172.742 174.217 -1.475 1
1 664 . 19 1 1 A 60 60 ASP CA C 60 52.698 50.988 1.710 1
1 665 . 19 1 1 A 60 60 ASP CB C 60 43.314 41.410 1.904 1
1 666 . 19 1 1 A 60 60 ASP N N 60 122.718 123.842 -1.124 1
1 667 . 19 1 1 A 61 61 PRO HA H 61 4.681 4.692 -0.011 1
1 674 . 19 1 1 A 61 61 PRO C C 61 177.420 175.240 2.180 1
1 675 . 19 1 1 A 61 61 PRO CA C 61 63.594 62.395 1.199 1
1 676 . 19 1 1 A 61 61 PRO CB C 61 32.950 33.001 -0.051 1
1 679 . 19 1 1 A 62 62 SER H H 62 7.803 8.128 -0.325 1
1 680 . 19 1 1 A 62 62 SER HA H 62 4.797 4.990 -0.193 1
1 683 . 19 1 1 A 62 62 SER C C 62 174.851 174.420 0.431 1
1 684 . 19 1 1 A 62 62 SER CA C 62 56.896 56.297 0.599 1
1 685 . 19 1 1 A 62 62 SER CB C 62 63.959 66.000 -2.041 1
1 686 . 19 1 1 A 62 62 SER N N 62 115.582 114.543 1.039 1
1 687 . 19 1 1 A 63 63 PRO HA H 63 4.089 4.500 -0.411 1
1 694 . 19 1 1 A 63 63 PRO C C 63 177.105 176.734 0.371 1
1 695 . 19 1 1 A 63 63 PRO CA C 63 66.024 64.074 1.950 1
1 696 . 19 1 1 A 63 63 PRO CB C 63 31.763 31.448 0.315 1
1 699 . 19 1 1 A 64 64 ASP H H 64 8.361 8.471 -0.110 1
1 700 . 19 1 1 A 64 64 ASP HA H 64 4.290 4.720 -0.430 1
1 703 . 19 1 1 A 64 64 ASP C C 64 174.802 176.026 -1.224 1
1 704 . 19 1 1 A 64 64 ASP CA C 64 54.458 53.536 0.922 1
1 705 . 19 1 1 A 64 64 ASP CB C 64 40.481 42.565 -2.084 1
1 706 . 19 1 1 A 64 64 ASP N N 64 111.867 116.409 -4.542 1
1 707 . 19 1 1 A 65 65 HIS H H 65 7.781 7.342 0.439 1
1 708 . 19 1 1 A 65 65 HIS HA H 65 4.558 4.638 -0.080 1
1 713 . 19 1 1 A 65 65 HIS C C 65 174.972 174.608 0.364 1
1 714 . 19 1 1 A 65 65 HIS CA C 65 54.370 54.396 -0.026 1
1 715 . 19 1 1 A 65 65 HIS CB C 65 28.450 31.800 -3.350 1
1 718 . 19 1 1 A 65 65 HIS N N 65 120.793 117.091 3.702 1
1 719 . 19 1 1 A 66 66 LEU H H 66 8.206 8.050 0.156 1
1 720 . 19 1 1 A 66 66 LEU HA H 66 3.893 4.269 -0.376 1
1 730 . 19 1 1 A 66 66 LEU C C 66 178.826 176.397 2.429 1
1 731 . 19 1 1 A 66 66 LEU CA C 66 57.857 54.364 3.493 1
1 732 . 19 1 1 A 66 66 LEU CB C 66 42.245 41.471 0.774 1
1 736 . 19 1 1 A 66 66 LEU N N 66 124.390 124.619 -0.229 1
1 737 . 19 1 1 A 67 67 TYR H H 67 8.612 7.571 1.041 1
1 738 . 19 1 1 A 67 67 TYR HA H 67 5.417 4.899 0.518 1
1 745 . 19 1 1 A 67 67 TYR C C 67 176.403 174.433 1.970 1
1 746 . 19 1 1 A 67 67 TYR CA C 67 55.320 57.318 -1.998 1
1 747 . 19 1 1 A 67 67 TYR CB C 67 35.524 37.823 -2.299 1
1 752 . 19 1 1 A 67 67 TYR N N 67 118.042 119.487 -1.445 1
1 753 . 19 1 1 A 68 68 SER H H 68 6.652 7.845 -1.193 1
1 754 . 19 1 1 A 68 68 SER HA H 68 5.742 5.189 0.553 1
1 757 . 19 1 1 A 68 68 SER C C 68 174.827 173.206 1.621 1
1 758 . 19 1 1 A 68 68 SER CA C 68 56.147 56.182 -0.035 1
1 759 . 19 1 1 A 68 68 SER CB C 68 65.504 65.268 0.236 1
1 760 . 19 1 1 A 68 68 SER N N 68 111.076 116.818 -5.742 1
1 761 . 19 1 1 A 69 69 PHE H H 69 9.089 8.493 0.596 1
1 762 . 19 1 1 A 69 69 PHE HA H 69 5.212 5.695 -0.483 1
1 770 . 19 1 1 A 69 69 PHE C C 69 171.676 172.886 -1.210 1
1 771 . 19 1 1 A 69 69 PHE CA C 69 55.918 55.227 0.691 1
1 772 . 19 1 1 A 69 69 PHE CB C 69 41.034 42.934 -1.900 1
1 778 . 19 1 1 A 69 69 PHE N N 69 121.539 121.329 0.210 1
1 779 . 19 1 1 A 70 70 ARG H H 70 9.299 8.979 0.320 1
1 780 . 19 1 1 A 70 70 ARG HA H 70 5.333 5.173 0.160 1
1 787 . 19 1 1 A 70 70 ARG C C 70 174.197 174.629 -0.432 1
1 788 . 19 1 1 A 70 70 ARG CA C 70 54.198 54.087 0.111 1
1 789 . 19 1 1 A 70 70 ARG CB C 70 35.236 34.279 0.957 1
1 792 . 19 1 1 A 70 70 ARG N N 70 117.458 118.778 -1.320 1
1 794 . 19 1 1 A 71 71 ILE H H 71 8.505 8.296 0.209 1
1 795 . 19 1 1 A 71 71 ILE HA H 71 4.974 5.423 -0.449 1
1 805 . 19 1 1 A 71 71 ILE C C 71 174.996 175.045 -0.049 1
1 806 . 19 1 1 A 71 71 ILE CA C 71 60.622 59.917 0.705 1
1 807 . 19 1 1 A 71 71 ILE CB C 71 39.636 40.681 -1.045 1
1 811 . 19 1 1 A 71 71 ILE N N 71 119.757 122.862 -3.105 1
1 812 . 19 1 1 A 72 72 LEU H H 72 9.488 9.028 0.460 1
1 813 . 19 1 1 A 72 72 LEU HA H 72 5.473 5.422 0.051 1
1 823 . 19 1 1 A 72 72 LEU C C 72 176.172 176.110 0.062 1
1 824 . 19 1 1 A 72 72 LEU CA C 72 53.507 54.019 -0.512 1
1 825 . 19 1 1 A 72 72 LEU CB C 72 46.393 46.032 0.361 1
1 829 . 19 1 1 A 72 72 LEU N N 72 128.277 126.609 1.668 1
1 830 . 19 1 1 A 73 73 HIS H H 73 9.087 8.723 0.364 1
1 831 . 19 1 1 A 73 73 HIS HA H 73 4.888 4.625 0.263 1
1 836 . 19 1 1 A 73 73 HIS C C 73 175.118 175.654 -0.536 1
1 837 . 19 1 1 A 73 73 HIS CA C 73 56.675 57.928 -1.253 1
1 838 . 19 1 1 A 73 73 HIS CB C 73 32.933 31.557 1.376 1
1 841 . 19 1 1 A 73 73 HIS N N 73 119.084 122.838 -3.754 1
1 842 . 19 1 1 A 74 74 LYS H H 74 9.551 8.078 1.473 1
1 843 . 19 1 1 A 74 74 LYS HA H 74 3.763 4.522 -0.759 1
1 852 . 19 1 1 A 74 74 LYS C C 74 176.851 176.667 0.184 1
1 853 . 19 1 1 A 74 74 LYS CA C 74 56.969 55.318 1.651 1
1 854 . 19 1 1 A 74 74 LYS CB C 74 29.766 32.683 -2.917 1
1 858 . 19 1 1 A 74 74 LYS N N 74 128.764 116.505 12.259 1
1 859 . 19 1 1 A 75 75 GLY H H 75 8.877 8.117 0.760 1
1 860 . 19 1 1 A 75 75 GLY HA2 H 75 3.523 3.965 -0.442 1
1 861 . 19 1 1 A 75 75 GLY HA3 H 75 4.213 3.971 0.242 1
1 862 . 19 1 1 A 75 75 GLY C C 75 173.566 174.154 -0.588 1
1 863 . 19 1 1 A 75 75 GLY CA C 75 45.346 45.169 0.177 1
1 864 . 19 1 1 A 75 75 GLY N N 75 104.552 108.164 -3.612 1
1 865 . 19 1 1 A 76 76 GLU H H 76 7.922 7.862 0.060 1
1 866 . 19 1 1 A 76 76 GLU HA H 76 4.491 4.702 -0.211 1
1 871 . 19 1 1 A 76 76 GLU C C 76 175.651 174.897 0.754 1
1 872 . 19 1 1 A 76 76 GLU CA C 76 54.721 55.270 -0.549 1
1 873 . 19 1 1 A 76 76 GLU CB C 76 31.187 31.609 -0.422 1
1 875 . 19 1 1 A 76 76 GLU N N 76 121.492 119.901 1.591 1
1 876 . 19 1 1 A 77 77 GLU H H 77 8.925 8.648 0.277 1
1 877 . 19 1 1 A 77 77 GLU HA H 77 4.309 5.082 -0.773 1
1 881 . 19 1 1 A 77 77 GLU C C 77 175.857 175.460 0.397 1
1 882 . 19 1 1 A 77 77 GLU CA C 77 57.412 54.868 2.544 1
1 883 . 19 1 1 A 77 77 GLU CB C 77 31.146 31.247 -0.101 1
1 885 . 19 1 1 A 77 77 GLU N N 77 125.541 121.205 4.336 1
1 886 . 19 1 1 A 78 78 LEU H H 78 9.475 8.692 0.783 1
1 887 . 19 1 1 A 78 78 LEU HA H 78 4.513 4.342 0.171 1
1 897 . 19 1 1 A 78 78 LEU C C 78 177.541 177.061 0.480 1
1 898 . 19 1 1 A 78 78 LEU CA C 78 55.443 56.273 -0.830 1
1 899 . 19 1 1 A 78 78 LEU CB C 78 43.776 42.524 1.252 1
1 903 . 19 1 1 A 78 78 LEU N N 78 128.715 129.250 -0.535 1
1 904 . 19 1 1 A 79 79 ALA H H 79 7.550 7.749 -0.199 1
1 905 . 19 1 1 A 79 79 ALA HA H 79 4.503 4.727 -0.224 1
1 909 . 19 1 1 A 79 79 ALA C C 79 174.342 175.212 -0.870 1
1 910 . 19 1 1 A 79 79 ALA CA C 79 51.906 51.011 0.895 1
1 911 . 19 1 1 A 79 79 ALA CB C 79 22.017 23.413 -1.396 1
1 912 . 19 1 1 A 79 79 ALA N N 79 116.317 116.998 -0.681 1
1 913 . 19 1 1 A 80 80 LYS H H 80 8.743 8.733 0.010 1
1 914 . 19 1 1 A 80 80 LYS HA H 80 4.725 4.875 -0.150 1
1 923 . 19 1 1 A 80 80 LYS C C 80 172.973 174.735 -1.762 1
1 924 . 19 1 1 A 80 80 LYS CA C 80 56.604 55.240 1.364 1
1 925 . 19 1 1 A 80 80 LYS CB C 80 34.331 35.915 -1.584 1
1 929 . 19 1 1 A 80 80 LYS N N 80 123.623 120.418 3.205 1
1 930 . 19 1 1 A 81 81 LEU H H 81 8.504 8.838 -0.334 1
1 931 . 19 1 1 A 81 81 LEU HA H 81 5.531 5.553 -0.022 1
1 941 . 19 1 1 A 81 81 LEU C C 81 176.366 175.300 1.066 1
1 942 . 19 1 1 A 81 81 LEU CA C 81 53.665 53.035 0.630 1
1 943 . 19 1 1 A 81 81 LEU CB C 81 45.969 45.268 0.701 1
1 947 . 19 1 1 A 81 81 LEU N N 81 124.594 127.707 -3.113 1
1 948 . 19 1 1 A 82 82 GLU H H 82 9.018 8.235 0.783 1
1 949 . 19 1 1 A 82 82 GLU HA H 82 4.826 4.311 0.515 1
1 954 . 19 1 1 A 82 82 GLU C C 82 174.439 175.188 -0.749 1
1 955 . 19 1 1 A 82 82 GLU CA C 82 56.376 54.779 1.597 1
1 956 . 19 1 1 A 82 82 GLU CB C 82 32.852 32.263 0.589 1
1 958 . 19 1 1 A 82 82 GLU N N 82 118.819 121.091 -2.272 1
1 959 . 19 1 1 A 83 83 ALA H H 83 8.027 9.114 -1.087 1
1 960 . 19 1 1 A 83 83 ALA HA H 83 4.980 4.588 0.392 1
1 964 . 19 1 1 A 83 83 ALA C C 83 176.439 178.723 -2.284 1
1 965 . 19 1 1 A 83 83 ALA CA C 83 50.059 51.440 -1.381 1
1 966 . 19 1 1 A 83 83 ALA CB C 83 21.702 20.277 1.425 1
1 967 . 19 1 1 A 83 83 ALA N N 83 127.765 128.055 -0.290 1
1 968 . 19 1 1 A 84 84 LYS H H 84 9.017 8.670 0.347 1
1 969 . 19 1 1 A 84 84 LYS HA H 84 4.432 4.591 -0.159 1
1 977 . 19 1 1 A 84 84 LYS C C 84 175.930 176.586 -0.656 1
1 978 . 19 1 1 A 84 84 LYS CA C 84 56.956 56.620 0.336 1
1 979 . 19 1 1 A 84 84 LYS CB C 84 32.974 34.090 -1.116 1
1 983 . 19 1 1 A 84 84 LYS N N 84 115.456 116.751 -1.295 1
1 984 . 19 1 1 A 85 85 SER H H 85 7.324 7.661 -0.337 1
1 985 . 19 1 1 A 85 85 SER HA H 85 4.074 3.823 0.251 1
1 988 . 19 1 1 A 85 85 SER C C 85 173.421 172.978 0.443 1
1 989 . 19 1 1 A 85 85 SER CA C 85 56.038 56.983 -0.945 1
1 990 . 19 1 1 A 85 85 SER CB C 85 66.506 66.891 -0.385 1
1 991 . 19 1 1 A 85 85 SER N N 85 110.261 115.205 -4.944 1
1 992 . 19 1 1 A 86 86 SER H H 86 8.610 8.234 0.376 1
1 993 . 19 1 1 A 86 86 SER HA H 86 3.648 3.996 -0.348 1
1 996 . 19 1 1 A 86 86 SER C C 86 177.784 176.696 1.088 1
1 997 . 19 1 1 A 86 86 SER CA C 86 61.391 61.892 -0.501 1
1 998 . 19 1 1 A 86 86 SER CB C 86 62.378 62.856 -0.478 1
1 999 . 19 1 1 A 86 86 SER N N 86 117.136 118.029 -0.893 1
1 1000 . 19 1 1 A 87 87 GLU H H 87 8.890 7.533 1.357 1
1 1001 . 19 1 1 A 87 87 GLU HA H 87 4.031 4.030 0.001 1
1 1006 . 19 1 1 A 87 87 GLU C C 87 179.492 178.999 0.493 1
1 1007 . 19 1 1 A 87 87 GLU CA C 87 59.983 59.394 0.589 1
1 1008 . 19 1 1 A 87 87 GLU CB C 87 28.969 29.674 -0.705 1
1 1010 . 19 1 1 A 87 87 GLU N N 87 123.189 122.023 1.166 1
1 1011 . 19 1 1 A 88 88 GLU H H 88 8.015 8.217 -0.202 1
1 1012 . 19 1 1 A 88 88 GLU HA H 88 4.243 4.145 0.098 1
1 1017 . 19 1 1 A 88 88 GLU C C 88 178.472 178.648 -0.176 1
1 1018 . 19 1 1 A 88 88 GLU CA C 88 59.642 59.414 0.228 1
1 1019 . 19 1 1 A 88 88 GLU CB C 88 31.016 29.267 1.749 1
1 1021 . 19 1 1 A 88 88 GLU N N 88 121.015 120.630 0.385 1
1 1022 . 19 1 1 A 89 89 MET H H 89 8.334 8.396 -0.062 1
1 1023 . 19 1 1 A 89 89 MET HA H 89 3.843 4.311 -0.468 1
1 1030 . 19 1 1 A 89 89 MET C C 89 177.396 178.769 -1.373 1
1 1031 . 19 1 1 A 89 89 MET CA C 89 60.458 58.082 2.376 1
1 1032 . 19 1 1 A 89 89 MET CB C 89 32.481 32.588 -0.107 1
1 1035 . 19 1 1 A 89 89 MET N N 89 119.764 118.934 0.830 1
1 1036 . 19 1 1 A 90 90 GLY H H 90 8.452 8.291 0.161 1
1 1037 . 19 1 1 A 90 90 GLY HA2 H 90 4.008 3.715 0.293 1
1 1038 . 19 1 1 A 90 90 GLY HA3 H 90 3.723 3.731 -0.008 1
1 1039 . 19 1 1 A 90 90 GLY C C 90 176.814 175.775 1.039 1
1 1040 . 19 1 1 A 90 90 GLY CA C 90 47.489 47.291 0.198 1
1 1041 . 19 1 1 A 90 90 GLY N N 90 105.180 109.084 -3.904 1
1 1042 . 19 1 1 A 91 91 HIS H H 91 7.919 7.927 -0.008 1
1 1043 . 19 1 1 A 91 91 HIS HA H 91 4.329 4.111 0.218 1
1 1048 . 19 1 1 A 91 91 HIS C C 91 178.208 177.100 1.108 1
1 1049 . 19 1 1 A 91 91 HIS CA C 91 59.367 58.950 0.417 1
1 1050 . 19 1 1 A 91 91 HIS CB C 91 30.612 29.550 1.062 1
1 1053 . 19 1 1 A 91 91 HIS N N 91 121.929 121.337 0.592 1
1 1054 . 19 1 1 A 92 92 TRP H H 92 8.199 7.396 0.803 1
1 1055 . 19 1 1 A 92 92 TRP HA H 92 3.829 4.133 -0.304 1
1 1064 . 19 1 1 A 92 92 TRP C C 92 178.257 178.571 -0.314 1
1 1065 . 19 1 1 A 92 92 TRP CA C 92 62.464 60.104 2.360 1
1 1066 . 19 1 1 A 92 92 TRP CB C 92 29.190 29.602 -0.412 1
1 1072 . 19 1 1 A 92 92 TRP N N 92 120.070 118.556 1.514 1
1 1074 . 19 1 1 A 93 93 LEU H H 93 8.740 8.412 0.328 1
1 1075 . 19 1 1 A 93 93 LEU HA H 93 3.695 3.690 0.005 1
1 1085 . 19 1 1 A 93 93 LEU C C 93 179.105 179.179 -0.074 1
1 1086 . 19 1 1 A 93 93 LEU CA C 93 59.076 58.258 0.818 1
1 1087 . 19 1 1 A 93 93 LEU CB C 93 40.993 41.676 -0.683 1
1 1091 . 19 1 1 A 93 93 LEU N N 93 119.445 120.001 -0.556 1
1 1092 . 19 1 1 A 94 94 GLY H H 94 7.616 8.100 -0.484 1
1 1093 . 19 1 1 A 94 94 GLY HA2 H 94 3.852 3.620 0.232 1
1 1094 . 19 1 1 A 94 94 GLY HA3 H 94 3.759 3.647 0.112 1
1 1095 . 19 1 1 A 94 94 GLY C C 94 176.693 175.406 1.287 1
1 1096 . 19 1 1 A 94 94 GLY CA C 94 47.120 47.140 -0.020 1
1 1097 . 19 1 1 A 94 94 GLY N N 94 102.951 105.431 -2.480 1
1 1098 . 19 1 1 A 95 95 LEU H H 95 7.853 7.947 -0.094 1
1 1099 . 19 1 1 A 95 95 LEU HA H 95 4.024 3.801 0.223 1
1 1109 . 19 1 1 A 95 95 LEU C C 95 179.589 178.204 1.385 1
1 1110 . 19 1 1 A 95 95 LEU CA C 95 57.678 57.823 -0.145 1
1 1111 . 19 1 1 A 95 95 LEU CB C 95 42.533 41.641 0.892 1
1 1115 . 19 1 1 A 95 95 LEU N N 95 123.479 122.760 0.719 1
1 1116 . 19 1 1 A 96 96 LEU H H 96 8.649 8.582 0.067 1
1 1117 . 19 1 1 A 96 96 LEU HA H 96 3.971 4.013 -0.042 1
1 1127 . 19 1 1 A 96 96 LEU C C 96 179.068 179.183 -0.115 1
1 1128 . 19 1 1 A 96 96 LEU CA C 96 57.906 58.168 -0.262 1
1 1129 . 19 1 1 A 96 96 LEU CB C 96 42.104 41.590 0.514 1
1 1133 . 19 1 1 A 96 96 LEU N N 96 118.046 118.438 -0.392 1
1 1134 . 19 1 1 A 97 97 LEU H H 97 8.198 8.326 -0.128 1
1 1135 . 19 1 1 A 97 97 LEU HA H 97 4.234 3.938 0.296 1
1 1145 . 19 1 1 A 97 97 LEU C C 97 180.177 179.006 1.171 1
1 1146 . 19 1 1 A 97 97 LEU CA C 97 57.361 57.995 -0.634 1
1 1147 . 19 1 1 A 97 97 LEU CB C 97 41.611 41.123 0.488 1
1 1151 . 19 1 1 A 97 97 LEU N N 97 118.670 119.226 -0.556 1
1 1152 . 19 1 1 A 98 98 SER H H 98 7.818 8.290 -0.472 1
1 1153 . 19 1 1 A 98 98 SER HA H 98 4.328 4.054 0.274 1
1 1156 . 19 1 1 A 98 98 SER C C 98 176.863 177.110 -0.247 1
1 1157 . 19 1 1 A 98 98 SER CA C 98 61.004 61.439 -0.435 1
1 1158 . 19 1 1 A 98 98 SER CB C 98 63.322 62.816 0.506 1
1 1159 . 19 1 1 A 98 98 SER N N 98 115.679 113.581 2.098 1
1 1160 . 19 1 1 A 99 99 GLU H H 99 8.003 7.669 0.334 1
1 1161 . 19 1 1 A 99 99 GLU HA H 99 4.193 4.207 -0.014 1
1 1166 . 19 1 1 A 99 99 GLU C C 99 177.226 176.826 0.400 1
1 1167 . 19 1 1 A 99 99 GLU CA C 99 57.449 59.237 -1.788 1
1 1168 . 19 1 1 A 99 99 GLU CB C 99 30.260 29.811 0.449 1
1 1170 . 19 1 1 A 99 99 GLU N N 99 120.518 120.270 0.248 1
1 1171 . 19 1 1 A 100 100 SER H H 100 7.892 7.879 0.013 1
1 1172 . 19 1 1 A 100 100 SER HA H 100 4.582 4.319 0.263 1
1 1175 . 19 1 1 A 100 100 SER C C 100 175.881 174.353 1.528 1
1 1176 . 19 1 1 A 100 100 SER CA C 100 59.561 59.474 0.087 1
1 1177 . 19 1 1 A 100 100 SER CB C 100 64.188 63.078 1.110 1
1 1178 . 19 1 1 A 100 100 SER N N 100 113.686 111.975 1.711 1
1 1179 . 19 1 1 A 101 101 GLY H H 101 7.861 8.447 -0.586 1
1 1180 . 19 1 1 A 101 101 GLY HA2 H 101 4.114 4.108 0.006 1
1 1181 . 19 1 1 A 101 101 GLY HA3 H 101 4.063 4.120 -0.057 1
1 1182 . 19 1 1 A 101 101 GLY C C 101 174.076 172.629 1.447 1
1 1183 . 19 1 1 A 101 101 GLY CA C 101 45.501 45.635 -0.134 1
1 1184 . 19 1 1 A 101 101 GLY N N 101 109.148 110.040 -0.892 1
1 1185 . 19 1 1 A 102 102 SER H H 102 8.260 8.658 -0.398 1
1 1186 . 19 1 1 A 102 102 SER HA H 102 4.543 4.771 -0.228 1
1 1189 . 19 1 1 A 102 102 SER C C 102 174.851 174.918 -0.067 1
1 1190 . 19 1 1 A 102 102 SER CA C 102 58.646 57.278 1.368 1
1 1191 . 19 1 1 A 102 102 SER CB C 102 64.211 64.662 -0.451 1
1 1192 . 19 1 1 A 102 102 SER N N 102 116.298 118.328 -2.030 1
1 1193 . 19 1 1 A 103 103 GLY H H 103 8.252 8.566 -0.314 1
1 1194 . 19 1 1 A 103 103 GLY HA2 H 103 4.173 3.966 0.207 1
1 1195 . 19 1 1 A 103 103 GLY HA3 H 103 4.074 3.970 0.104 1
1 1196 . 19 1 1 A 103 103 GLY C C 103 171.773 173.508 -1.735 1
1 1197 . 19 1 1 A 103 103 GLY CA C 103 44.777 45.430 -0.653 1
1 1198 . 19 1 1 A 103 103 GLY N N 103 110.162 108.536 1.626 1
1 1199 . 19 1 1 A 104 104 PRO HA H 104 4.515 4.731 -0.216 1
1 1206 . 19 1 1 A 104 104 PRO CA C 104 63.224 62.777 0.447 1
1 1207 . 19 1 1 A 104 104 PRO CB C 104 32.174 31.646 0.528 1
1 1210 . 19 1 1 A 105 105 SER H H 105 8.559 8.524 0.035 1
1 1211 . 19 1 1 A 105 105 SER CA C 105 60.998 57.532 3.466 1
1 1212 . 19 1 1 A 105 105 SER CB C 105 63.768 66.049 -2.281 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.952 3.874 0.078 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.952 3.902 0.050 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.197 174.596 -0.399 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.378 45.344 0.034 1
1 5 . 20 1 1 A 8 8 LEU H H 8 8.030 7.833 0.197 1
1 6 . 20 1 1 A 8 8 LEU HA H 8 4.321 4.255 0.066 1
1 16 . 20 1 1 A 8 8 LEU C C 8 177.468 176.263 1.205 1
1 17 . 20 1 1 A 8 8 LEU CA C 8 55.320 55.017 0.303 1
1 18 . 20 1 1 A 8 8 LEU CB C 8 42.556 42.400 0.156 1
1 22 . 20 1 1 A 8 8 LEU N N 8 121.494 121.216 0.278 1
1 23 . 20 1 1 A 9 9 GLU H H 9 8.577 8.623 -0.046 1
1 24 . 20 1 1 A 9 9 GLU HA H 9 4.454 4.317 0.137 1
1 29 . 20 1 1 A 9 9 GLU C C 9 177.056 177.967 -0.911 1
1 30 . 20 1 1 A 9 9 GLU CA C 9 56.956 56.559 0.397 1
1 31 . 20 1 1 A 9 9 GLU CB C 9 30.237 30.789 -0.552 1
1 33 . 20 1 1 A 9 9 GLU N N 9 121.449 122.833 -1.384 1
1 34 . 20 1 1 A 10 10 THR H H 10 8.189 8.769 -0.580 1
1 35 . 20 1 1 A 10 10 THR HA H 10 4.323 3.706 0.617 1
1 40 . 20 1 1 A 10 10 THR CA C 10 62.062 65.775 -3.713 1
1 41 . 20 1 1 A 10 10 THR CB C 10 69.441 68.242 1.199 1
1 43 . 20 1 1 A 10 10 THR N N 10 113.730 116.930 -3.200 1
1 44 . 20 1 1 A 11 11 SER H H 11 7.883 7.776 0.107 1
1 45 . 20 1 1 A 11 11 SER HA H 11 5.249 4.612 0.637 1
1 48 . 20 1 1 A 11 11 SER CA C 11 57.852 59.177 -1.325 1
1 49 . 20 1 1 A 11 11 SER CB C 11 65.426 63.035 2.391 1
1 50 . 20 1 1 A 12 12 SER H H 12 8.413 8.926 -0.513 1
1 51 . 20 1 1 A 12 12 SER HA H 12 4.467 4.741 -0.274 1
1 54 . 20 1 1 A 12 12 SER CA C 12 58.741 57.683 1.058 1
1 55 . 20 1 1 A 12 12 SER CB C 12 65.239 66.752 -1.513 1
1 56 . 20 1 1 A 12 12 SER N N 12 116.995 119.928 -2.933 1
1 57 . 20 1 1 A 13 13 TYR H H 13 8.156 8.628 -0.472 1
1 58 . 20 1 1 A 13 13 TYR HA H 13 4.936 4.570 0.366 1
1 65 . 20 1 1 A 13 13 TYR CA C 13 58.533 57.637 0.896 1
1 68 . 20 1 1 A 13 13 TYR N N 13 121.972 122.004 -0.032 1
1 69 . 20 1 1 A 14 14 LEU H H 14 8.803 8.724 0.079 1
1 70 . 20 1 1 A 14 14 LEU HA H 14 4.573 4.968 -0.395 1
1 80 . 20 1 1 A 14 14 LEU C C 14 175.845 176.056 -0.211 1
1 81 . 20 1 1 A 14 14 LEU CA C 14 54.141 53.051 1.090 1
1 82 . 20 1 1 A 14 14 LEU CB C 14 46.603 44.214 2.389 1
1 86 . 20 1 1 A 14 14 LEU N N 14 123.967 125.668 -1.701 1
1 87 . 20 1 1 A 15 15 ASN H H 15 8.090 8.720 -0.630 1
1 88 . 20 1 1 A 15 15 ASN HA H 15 5.669 5.637 0.032 1
1 93 . 20 1 1 A 15 15 ASN C C 15 174.972 174.173 0.799 1
1 94 . 20 1 1 A 15 15 ASN CA C 15 51.589 52.407 -0.818 1
1 95 . 20 1 1 A 15 15 ASN CB C 15 40.317 39.567 0.750 1
1 96 . 20 1 1 A 15 15 ASN N N 15 117.248 119.712 -2.464 1
1 98 . 20 1 1 A 16 16 VAL H H 16 9.452 8.474 0.978 1
1 99 . 20 1 1 A 16 16 VAL HA H 16 4.743 4.745 -0.002 1
1 107 . 20 1 1 A 16 16 VAL C C 16 174.269 176.235 -1.966 1
1 108 . 20 1 1 A 16 16 VAL CA C 16 60.574 61.982 -1.408 1
1 109 . 20 1 1 A 16 16 VAL CB C 16 35.194 32.619 2.575 1
1 112 . 20 1 1 A 16 16 VAL N N 16 122.909 125.477 -2.568 1
1 113 . 20 1 1 A 17 17 LEU H H 17 7.892 8.632 -0.740 1
1 114 . 20 1 1 A 17 17 LEU HA H 17 3.679 4.274 -0.595 1
1 124 . 20 1 1 A 17 17 LEU C C 17 175.747 175.895 -0.148 1
1 125 . 20 1 1 A 17 17 LEU CA C 17 54.493 56.096 -1.603 1
1 126 . 20 1 1 A 17 17 LEU CB C 17 40.541 41.464 -0.923 1
1 130 . 20 1 1 A 17 17 LEU N N 17 130.093 130.093 0.000 1
1 131 . 20 1 1 A 18 18 VAL H H 18 8.923 8.430 0.493 1
1 132 . 20 1 1 A 18 18 VAL HA H 18 4.053 4.082 -0.029 1
1 140 . 20 1 1 A 18 18 VAL C C 18 175.869 175.275 0.594 1
1 141 . 20 1 1 A 18 18 VAL CA C 18 61.285 63.492 -2.207 1
1 142 . 20 1 1 A 18 18 VAL CB C 18 33.609 32.614 0.995 1
1 145 . 20 1 1 A 18 18 VAL N N 18 130.417 126.413 4.004 1
1 146 . 20 1 1 A 19 19 ASN H H 19 9.323 8.323 1.000 1
1 147 . 20 1 1 A 19 19 ASN HA H 19 4.232 4.897 -0.665 1
1 152 . 20 1 1 A 19 19 ASN C C 19 174.948 174.948 0.000 1
1 153 . 20 1 1 A 19 19 ASN CA C 19 54.809 51.772 3.037 1
1 154 . 20 1 1 A 19 19 ASN CB C 19 37.192 36.791 0.401 1
1 155 . 20 1 1 A 19 19 ASN N N 19 127.579 119.341 8.238 1
1 157 . 20 1 1 A 20 20 SER H H 20 8.464 7.898 0.566 1
1 158 . 20 1 1 A 20 20 SER HA H 20 3.653 3.892 -0.239 1
1 161 . 20 1 1 A 20 20 SER C C 20 172.645 172.945 -0.300 1
1 162 . 20 1 1 A 20 20 SER CA C 20 60.458 59.515 0.943 1
1 163 . 20 1 1 A 20 20 SER CB C 20 62.584 61.457 1.127 1
1 164 . 20 1 1 A 20 20 SER N N 20 106.869 118.126 -11.257 1
1 165 . 20 1 1 A 21 21 GLN H H 21 7.695 7.351 0.344 1
1 166 . 20 1 1 A 21 21 GLN HA H 21 4.591 4.790 -0.199 1
1 173 . 20 1 1 A 21 21 GLN C C 21 174.003 174.494 -0.491 1
1 174 . 20 1 1 A 21 21 GLN CA C 21 53.772 53.955 -0.183 1
1 175 . 20 1 1 A 21 21 GLN CB C 21 32.069 32.944 -0.875 1
1 177 . 20 1 1 A 21 21 GLN N N 21 120.372 118.171 2.201 1
1 179 . 20 1 1 A 22 22 TRP H H 22 8.743 8.736 0.007 1
1 180 . 20 1 1 A 22 22 TRP HA H 22 4.690 5.159 -0.469 1
1 189 . 20 1 1 A 22 22 TRP C C 22 176.863 175.990 0.873 1
1 190 . 20 1 1 A 22 22 TRP CA C 22 57.062 56.698 0.364 1
1 191 . 20 1 1 A 22 22 TRP CB C 22 29.323 30.530 -1.207 1
1 197 . 20 1 1 A 22 22 TRP N N 22 124.919 120.711 4.208 1
1 199 . 20 1 1 A 23 23 LYS H H 23 9.302 8.499 0.803 1
1 200 . 20 1 1 A 23 23 LYS HA H 23 4.798 4.887 -0.089 1
1 208 . 20 1 1 A 23 23 LYS C C 23 176.050 176.701 -0.651 1
1 209 . 20 1 1 A 23 23 LYS CA C 23 54.106 54.553 -0.447 1
1 210 . 20 1 1 A 23 23 LYS CB C 23 35.583 34.281 1.302 1
1 214 . 20 1 1 A 23 23 LYS N N 23 124.474 125.196 -0.722 1
1 215 . 20 1 1 A 24 24 SER H H 24 8.740 8.598 0.142 1
1 216 . 20 1 1 A 24 24 SER HA H 24 5.035 4.950 0.085 1
1 219 . 20 1 1 A 24 24 SER C C 24 175.905 173.605 2.300 1
1 220 . 20 1 1 A 24 24 SER CA C 24 58.857 57.403 1.454 1
1 221 . 20 1 1 A 24 24 SER CB C 24 63.489 63.948 -0.459 1
1 222 . 20 1 1 A 24 24 SER N N 24 118.568 116.169 2.399 1
1 223 . 20 1 1 A 25 25 ARG H H 25 9.302 8.709 0.593 1
1 224 . 20 1 1 A 25 25 ARG HA H 25 4.946 5.164 -0.218 1
1 231 . 20 1 1 A 25 25 ARG C C 25 173.724 174.511 -0.787 1
1 232 . 20 1 1 A 25 25 ARG CA C 25 54.440 54.517 -0.077 1
1 233 . 20 1 1 A 25 25 ARG CB C 25 34.825 34.078 0.747 1
1 236 . 20 1 1 A 25 25 ARG N N 25 126.895 126.474 0.421 1
1 237 . 20 1 1 A 26 26 TRP H H 26 8.668 9.138 -0.470 1
1 238 . 20 1 1 A 26 26 TRP HA H 26 4.780 5.245 -0.465 1
1 247 . 20 1 1 A 26 26 TRP C C 26 175.796 174.895 0.901 1
1 248 . 20 1 1 A 26 26 TRP CA C 26 57.555 55.658 1.897 1
1 249 . 20 1 1 A 26 26 TRP CB C 26 29.833 30.800 -0.967 1
1 255 . 20 1 1 A 26 26 TRP N N 26 123.493 127.835 -4.342 1
1 257 . 20 1 1 A 27 27 CYS H H 27 8.884 8.936 -0.052 1
1 258 . 20 1 1 A 27 27 CYS HA H 27 5.668 5.144 0.524 1
1 261 . 20 1 1 A 27 27 CYS C C 27 174.560 174.663 -0.103 1
1 262 . 20 1 1 A 27 27 CYS CA C 27 58.184 57.939 0.245 1
1 263 . 20 1 1 A 27 27 CYS CB C 27 31.516 29.017 2.499 1
1 264 . 20 1 1 A 27 27 CYS N N 27 124.947 127.608 -2.661 1
1 265 . 20 1 1 A 28 28 SER H H 28 8.566 8.684 -0.118 1
1 266 . 20 1 1 A 28 28 SER HA H 28 5.240 5.414 -0.174 1
1 269 . 20 1 1 A 28 28 SER C C 28 173.106 173.529 -0.423 1
1 270 . 20 1 1 A 28 28 SER CA C 28 57.027 57.977 -0.950 1
1 271 . 20 1 1 A 28 28 SER CB C 28 66.738 66.000 0.738 1
1 272 . 20 1 1 A 28 28 SER N N 28 114.751 119.645 -4.894 1
1 273 . 20 1 1 A 29 29 VAL H H 29 8.843 9.059 -0.216 1
1 274 . 20 1 1 A 29 29 VAL HA H 29 5.302 5.211 0.091 1
1 282 . 20 1 1 A 29 29 VAL C C 29 175.905 175.532 0.373 1
1 283 . 20 1 1 A 29 29 VAL CA C 29 61.233 61.374 -0.141 1
1 284 . 20 1 1 A 29 29 VAL CB C 29 32.832 33.573 -0.741 1
1 287 . 20 1 1 A 29 29 VAL N N 29 125.688 127.105 -1.417 1
1 288 . 20 1 1 A 30 30 ARG H H 30 8.964 8.771 0.193 1
1 289 . 20 1 1 A 30 30 ARG HA H 30 4.620 4.538 0.082 1
1 295 . 20 1 1 A 30 30 ARG C C 30 176.160 175.015 1.145 1
1 296 . 20 1 1 A 30 30 ARG CA C 30 55.901 57.520 -1.619 1
1 297 . 20 1 1 A 30 30 ARG CB C 30 33.198 32.468 0.730 1
1 300 . 20 1 1 A 30 30 ARG N N 30 125.513 128.465 -2.952 1
1 301 . 20 1 1 A 31 31 ASP H H 31 9.773 8.237 1.536 1
1 302 . 20 1 1 A 31 31 ASP HA H 31 4.451 4.815 -0.364 1
1 305 . 20 1 1 A 31 31 ASP C C 31 177.008 175.519 1.489 1
1 306 . 20 1 1 A 31 31 ASP CA C 31 55.936 52.626 3.310 1
1 307 . 20 1 1 A 31 31 ASP CB C 31 39.659 41.106 -1.447 1
1 308 . 20 1 1 A 31 31 ASP N N 31 127.085 119.457 7.628 1
1 309 . 20 1 1 A 32 32 ASN H H 32 9.639 8.499 1.140 1
1 310 . 20 1 1 A 32 32 ASN HA H 32 4.535 4.701 -0.166 1
1 315 . 20 1 1 A 32 32 ASN C C 32 172.766 173.848 -1.082 1
1 316 . 20 1 1 A 32 32 ASN CA C 32 55.549 54.213 1.336 1
1 317 . 20 1 1 A 32 32 ASN CB C 32 38.238 37.071 1.167 1
1 318 . 20 1 1 A 32 32 ASN N N 32 112.101 122.324 -10.223 1
1 320 . 20 1 1 A 33 33 HIS H H 33 8.292 7.799 0.493 1
1 321 . 20 1 1 A 33 33 HIS HA H 33 5.368 5.495 -0.127 1
1 326 . 20 1 1 A 33 33 HIS C C 33 172.718 173.706 -0.988 1
1 327 . 20 1 1 A 33 33 HIS CA C 33 55.303 54.780 0.523 1
1 328 . 20 1 1 A 33 33 HIS CB C 33 32.851 34.092 -1.241 1
1 331 . 20 1 1 A 33 33 HIS N N 33 116.294 116.279 0.015 1
1 332 . 20 1 1 A 34 34 LEU H H 34 8.987 8.905 0.082 1
1 333 . 20 1 1 A 34 34 LEU HA H 34 4.784 5.007 -0.223 1
1 342 . 20 1 1 A 34 34 LEU C C 34 173.240 175.323 -2.083 1
1 343 . 20 1 1 A 34 34 LEU CA C 34 53.719 53.588 0.131 1
1 344 . 20 1 1 A 34 34 LEU CB C 34 45.147 43.833 1.314 1
1 348 . 20 1 1 A 34 34 LEU N N 34 122.961 125.501 -2.540 1
1 349 . 20 1 1 A 35 35 HIS H H 35 9.169 9.436 -0.267 1
1 350 . 20 1 1 A 35 35 HIS HA H 35 4.713 5.054 -0.341 1
1 355 . 20 1 1 A 35 35 HIS C C 35 174.778 175.118 -0.340 1
1 356 . 20 1 1 A 35 35 HIS CA C 35 55.284 56.287 -1.003 1
1 357 . 20 1 1 A 35 35 HIS CB C 35 34.455 31.752 2.703 1
1 360 . 20 1 1 A 35 35 HIS N N 35 125.201 126.178 -0.977 1
1 361 . 20 1 1 A 36 36 PHE H H 36 9.522 8.917 0.605 1
1 362 . 20 1 1 A 36 36 PHE HA H 36 5.014 5.230 -0.216 1
1 370 . 20 1 1 A 36 36 PHE C C 36 174.911 174.119 0.792 1
1 371 . 20 1 1 A 36 36 PHE CA C 36 56.217 56.391 -0.174 1
1 372 . 20 1 1 A 36 36 PHE CB C 36 43.666 42.283 1.383 1
1 378 . 20 1 1 A 36 36 PHE N N 36 118.294 118.321 -0.027 1
1 379 . 20 1 1 A 37 37 TYR H H 37 9.783 9.182 0.601 1
1 380 . 20 1 1 A 37 37 TYR HA H 37 5.453 5.107 0.346 1
1 387 . 20 1 1 A 37 37 TYR C C 37 176.475 175.678 0.797 1
1 388 . 20 1 1 A 37 37 TYR CA C 37 57.185 56.477 0.708 1
1 389 . 20 1 1 A 37 37 TYR CB C 37 41.569 43.344 -1.775 1
1 394 . 20 1 1 A 37 37 TYR N N 37 121.241 121.232 0.009 1
1 395 . 20 1 1 A 38 38 GLN H H 38 9.233 8.972 0.261 1
1 396 . 20 1 1 A 38 38 GLN HA H 38 4.480 4.803 -0.323 1
1 403 . 20 1 1 A 38 38 GLN C C 38 175.408 175.779 -0.371 1
1 404 . 20 1 1 A 38 38 GLN CA C 38 57.977 57.199 0.778 1
1 405 . 20 1 1 A 38 38 GLN CB C 38 29.825 30.762 -0.937 1
1 407 . 20 1 1 A 38 38 GLN N N 38 119.348 120.211 -0.863 1
1 409 . 20 1 1 A 39 39 ASP H H 39 8.674 8.015 0.659 1
1 410 . 20 1 1 A 39 39 ASP HA H 39 4.849 5.143 -0.294 1
1 413 . 20 1 1 A 39 39 ASP CA C 39 52.402 53.006 -0.604 1
1 414 . 20 1 1 A 39 39 ASP CB C 39 43.525 42.757 0.768 1
1 415 . 20 1 1 A 40 40 ARG H H 40 7.823 8.974 -1.151 1
1 416 . 20 1 1 A 40 40 ARG HA H 40 2.342 3.057 -0.715 1
1 423 . 20 1 1 A 40 40 ARG CA C 40 57.183 58.652 -1.469 1
1 424 . 20 1 1 A 40 40 ARG CB C 40 29.300 29.762 -0.462 1
1 427 . 20 1 1 A 40 40 ARG N N 40 119.412 122.437 -3.025 1
1 428 . 20 1 1 A 41 41 ASN H H 41 7.601 7.922 -0.321 1
1 429 . 20 1 1 A 41 41 ASN HA H 41 4.408 4.466 -0.058 1
1 434 . 20 1 1 A 41 41 ASN C C 41 174.584 174.800 -0.216 1
1 435 . 20 1 1 A 41 41 ASN CA C 41 53.396 55.532 -2.136 1
1 436 . 20 1 1 A 41 41 ASN CB C 41 37.847 38.221 -0.374 1
1 437 . 20 1 1 A 41 41 ASN N N 41 114.895 117.535 -2.640 1
1 439 . 20 1 1 A 42 42 ARG H H 42 7.927 7.913 0.014 1
1 440 . 20 1 1 A 42 42 ARG HA H 42 3.271 3.971 -0.700 1
1 446 . 20 1 1 A 42 42 ARG CA C 42 57.164 56.779 0.385 1
1 449 . 20 1 1 A 42 42 ARG N N 42 115.263 115.603 -0.340 1
1 450 . 20 1 1 A 43 43 SER H H 43 9.112 8.039 1.073 1
1 451 . 20 1 1 A 43 43 SER HA H 43 4.444 4.467 -0.023 1
1 454 . 20 1 1 A 43 43 SER CA C 43 59.742 61.056 -1.314 1
1 455 . 20 1 1 A 43 43 SER CB C 43 64.693 63.798 0.895 1
1 456 . 20 1 1 A 43 43 SER N N 43 115.094 112.675 2.419 1
1 457 . 20 1 1 A 44 44 LYS H H 44 8.543 8.028 0.515 1
1 458 . 20 1 1 A 44 44 LYS HA H 44 4.784 4.461 0.323 1
1 464 . 20 1 1 A 44 44 LYS C C 44 175.723 175.342 0.381 1
1 465 . 20 1 1 A 44 44 LYS CA C 44 55.091 54.651 0.440 1
1 466 . 20 1 1 A 44 44 LYS CB C 44 34.642 31.195 3.447 1
1 470 . 20 1 1 A 45 45 VAL H H 45 8.965 8.386 0.579 1
1 471 . 20 1 1 A 45 45 VAL HA H 45 4.043 3.869 0.174 1
1 479 . 20 1 1 A 45 45 VAL C C 45 176.656 176.990 -0.334 1
1 480 . 20 1 1 A 45 45 VAL CA C 45 63.883 63.517 0.366 1
1 481 . 20 1 1 A 45 45 VAL CB C 45 32.621 31.356 1.265 1
1 484 . 20 1 1 A 45 45 VAL N N 45 127.663 124.120 3.543 1
1 485 . 20 1 1 A 46 46 ALA H H 46 9.214 8.711 0.503 1
1 486 . 20 1 1 A 46 46 ALA HA H 46 4.523 4.081 0.442 1
1 490 . 20 1 1 A 46 46 ALA C C 46 176.560 177.204 -0.644 1
1 491 . 20 1 1 A 46 46 ALA CA C 46 52.610 55.189 -2.579 1
1 492 . 20 1 1 A 46 46 ALA CB C 46 20.929 19.298 1.631 1
1 493 . 20 1 1 A 46 46 ALA N N 46 129.165 131.089 -1.924 1
1 494 . 20 1 1 A 47 47 GLN H H 47 7.504 7.559 -0.055 1
1 495 . 20 1 1 A 47 47 GLN HA H 47 4.494 4.521 -0.027 1
1 502 . 20 1 1 A 47 47 GLN C C 47 173.057 174.472 -1.415 1
1 503 . 20 1 1 A 47 47 GLN CA C 47 54.458 54.642 -0.184 1
1 504 . 20 1 1 A 47 47 GLN CB C 47 30.918 30.699 0.219 1
1 506 . 20 1 1 A 47 47 GLN N N 47 112.591 110.686 1.905 1
1 508 . 20 1 1 A 48 48 GLN H H 48 8.541 8.229 0.312 1
1 509 . 20 1 1 A 48 48 GLN HA H 48 4.420 4.364 0.056 1
1 516 . 20 1 1 A 48 48 GLN C C 48 172.864 174.087 -1.223 1
1 517 . 20 1 1 A 48 48 GLN CA C 48 54.774 54.708 0.066 1
1 518 . 20 1 1 A 48 48 GLN CB C 48 28.017 28.027 -0.010 1
1 520 . 20 1 1 A 48 48 GLN N N 48 120.933 119.647 1.286 1
1 522 . 20 1 1 A 49 49 PRO HA H 49 4.963 4.703 0.260 1
1 529 . 20 1 1 A 49 49 PRO C C 49 177.105 175.354 1.751 1
1 530 . 20 1 1 A 49 49 PRO CA C 49 63.010 62.273 0.737 1
1 531 . 20 1 1 A 49 49 PRO CB C 49 32.625 32.409 0.216 1
1 534 . 20 1 1 A 50 50 LEU H H 50 8.937 8.761 0.176 1
1 535 . 20 1 1 A 50 50 LEU HA H 50 4.742 5.095 -0.353 1
1 545 . 20 1 1 A 50 50 LEU C C 50 176.147 175.440 0.707 1
1 546 . 20 1 1 A 50 50 LEU CA C 50 53.120 53.310 -0.190 1
1 547 . 20 1 1 A 50 50 LEU CB C 50 45.352 45.036 0.316 1
1 551 . 20 1 1 A 50 50 LEU N N 50 121.454 121.945 -0.491 1
1 552 . 20 1 1 A 51 51 SER H H 51 8.771 8.808 -0.037 1
1 553 . 20 1 1 A 51 51 SER HA H 51 3.434 4.299 -0.865 1
1 556 . 20 1 1 A 51 51 SER C C 51 175.081 174.621 0.460 1
1 557 . 20 1 1 A 51 51 SER CA C 51 57.936 57.171 0.765 1
1 558 . 20 1 1 A 51 51 SER CB C 51 62.378 62.348 0.030 1
1 559 . 20 1 1 A 51 51 SER N N 51 120.178 117.895 2.283 1
1 560 . 20 1 1 A 52 52 LEU H H 52 8.045 7.537 0.508 1
1 561 . 20 1 1 A 52 52 LEU HA H 52 4.443 4.007 0.436 1
1 571 . 20 1 1 A 52 52 LEU C C 52 177.916 177.755 0.161 1
1 572 . 20 1 1 A 52 52 LEU CA C 52 55.105 57.838 -2.733 1
1 573 . 20 1 1 A 52 52 LEU CB C 52 42.762 41.309 1.453 1
1 577 . 20 1 1 A 52 52 LEU N N 52 125.348 126.805 -1.457 1
1 578 . 20 1 1 A 53 53 VAL H H 53 7.418 7.419 -0.001 1
1 579 . 20 1 1 A 53 53 VAL HA H 53 3.841 3.859 -0.018 1
1 587 . 20 1 1 A 53 53 VAL C C 53 178.123 177.067 1.056 1
1 588 . 20 1 1 A 53 53 VAL CA C 53 64.893 64.617 0.276 1
1 589 . 20 1 1 A 53 53 VAL CB C 53 30.973 30.948 0.025 1
1 592 . 20 1 1 A 53 53 VAL N N 53 119.590 118.583 1.007 1
1 593 . 20 1 1 A 54 54 GLY H H 54 9.187 8.438 0.749 1
1 594 . 20 1 1 A 54 54 GLY HA2 H 54 4.292 4.004 0.288 1
1 595 . 20 1 1 A 54 54 GLY HA3 H 54 3.934 4.101 -0.167 1
1 596 . 20 1 1 A 54 54 GLY C C 54 175.275 174.249 1.026 1
1 597 . 20 1 1 A 54 54 GLY CA C 54 45.906 45.071 0.835 1
1 598 . 20 1 1 A 54 54 GLY N N 54 115.764 114.892 0.872 1
1 599 . 20 1 1 A 55 55 CYS H H 55 7.871 7.880 -0.009 1
1 600 . 20 1 1 A 55 55 CYS HA H 55 5.052 4.823 0.229 1
1 603 . 20 1 1 A 55 55 CYS C C 55 174.112 173.266 0.846 1
1 604 . 20 1 1 A 55 55 CYS CA C 55 60.352 57.962 2.390 1
1 605 . 20 1 1 A 55 55 CYS CB C 55 28.779 31.286 -2.507 1
1 606 . 20 1 1 A 55 55 CYS N N 55 117.748 119.169 -1.421 1
1 607 . 20 1 1 A 56 56 GLU H H 56 9.140 8.953 0.187 1
1 608 . 20 1 1 A 56 56 GLU HA H 56 4.672 4.861 -0.189 1
1 612 . 20 1 1 A 56 56 GLU C C 56 175.105 174.545 0.560 1
1 613 . 20 1 1 A 56 56 GLU CA C 56 55.179 55.316 -0.137 1
1 614 . 20 1 1 A 56 56 GLU CB C 56 33.097 33.599 -0.502 1
1 616 . 20 1 1 A 56 56 GLU N N 56 120.179 122.247 -2.068 1
1 617 . 20 1 1 A 57 57 VAL H H 57 8.385 8.945 -0.560 1
1 618 . 20 1 1 A 57 57 VAL HA H 57 5.238 4.697 0.541 1
1 626 . 20 1 1 A 57 57 VAL C C 57 175.238 175.892 -0.654 1
1 627 . 20 1 1 A 57 57 VAL CA C 57 61.064 62.173 -1.109 1
1 628 . 20 1 1 A 57 57 VAL CB C 57 33.429 32.138 1.291 1
1 631 . 20 1 1 A 57 57 VAL N N 57 122.535 127.641 -5.106 1
1 632 . 20 1 1 A 58 58 VAL H H 58 8.884 8.993 -0.109 1
1 633 . 20 1 1 A 58 58 VAL HA H 58 5.053 4.893 0.160 1
1 641 . 20 1 1 A 58 58 VAL C C 58 174.027 173.403 0.624 1
1 642 . 20 1 1 A 58 58 VAL CA C 58 57.977 57.968 0.009 1
1 643 . 20 1 1 A 58 58 VAL CB C 58 35.583 34.519 1.064 1
1 646 . 20 1 1 A 58 58 VAL N N 58 122.081 121.932 0.149 1
1 647 . 20 1 1 A 59 59 PRO HA H 59 4.573 4.886 -0.313 1
1 654 . 20 1 1 A 59 59 PRO C C 59 175.457 175.223 0.234 1
1 655 . 20 1 1 A 59 59 PRO CA C 59 63.643 62.429 1.214 1
1 656 . 20 1 1 A 59 59 PRO CB C 59 32.915 30.256 2.659 1
1 659 . 20 1 1 A 60 60 ASP H H 60 8.989 8.381 0.608 1
1 660 . 20 1 1 A 60 60 ASP HA H 60 5.179 5.333 -0.154 1
1 663 . 20 1 1 A 60 60 ASP C C 60 172.742 174.256 -1.514 1
1 664 . 20 1 1 A 60 60 ASP CA C 60 52.698 51.005 1.693 1
1 665 . 20 1 1 A 60 60 ASP CB C 60 43.314 41.362 1.952 1
1 666 . 20 1 1 A 60 60 ASP N N 60 122.718 123.850 -1.132 1
1 667 . 20 1 1 A 61 61 PRO HA H 61 4.681 5.027 -0.346 1
1 674 . 20 1 1 A 61 61 PRO C C 61 177.420 175.333 2.087 1
1 675 . 20 1 1 A 61 61 PRO CA C 61 63.594 62.400 1.194 1
1 676 . 20 1 1 A 61 61 PRO CB C 61 32.950 32.938 0.012 1
1 679 . 20 1 1 A 62 62 SER H H 62 7.803 8.429 -0.626 1
1 680 . 20 1 1 A 62 62 SER HA H 62 4.797 4.982 -0.185 1
1 683 . 20 1 1 A 62 62 SER C C 62 174.851 174.653 0.198 1
1 684 . 20 1 1 A 62 62 SER CA C 62 56.896 56.016 0.880 1
1 685 . 20 1 1 A 62 62 SER CB C 62 63.959 65.784 -1.825 1
1 686 . 20 1 1 A 62 62 SER N N 62 115.582 114.771 0.811 1
1 687 . 20 1 1 A 63 63 PRO HA H 63 4.089 4.491 -0.402 1
1 694 . 20 1 1 A 63 63 PRO C C 63 177.105 176.260 0.845 1
1 695 . 20 1 1 A 63 63 PRO CA C 63 66.024 64.168 1.856 1
1 696 . 20 1 1 A 63 63 PRO CB C 63 31.763 31.610 0.153 1
1 699 . 20 1 1 A 64 64 ASP H H 64 8.361 8.317 0.044 1
1 700 . 20 1 1 A 64 64 ASP HA H 64 4.290 4.718 -0.428 1
1 703 . 20 1 1 A 64 64 ASP C C 64 174.802 175.498 -0.696 1
1 704 . 20 1 1 A 64 64 ASP CA C 64 54.458 54.123 0.335 1
1 705 . 20 1 1 A 64 64 ASP CB C 64 40.481 43.014 -2.533 1
1 706 . 20 1 1 A 64 64 ASP N N 64 111.867 117.212 -5.345 1
1 707 . 20 1 1 A 65 65 HIS H H 65 7.781 7.311 0.470 1
1 708 . 20 1 1 A 65 65 HIS HA H 65 4.558 4.620 -0.062 1
1 713 . 20 1 1 A 65 65 HIS C C 65 174.972 174.602 0.370 1
1 714 . 20 1 1 A 65 65 HIS CA C 65 54.370 54.432 -0.062 1
1 715 . 20 1 1 A 65 65 HIS CB C 65 28.450 31.942 -3.492 1
1 718 . 20 1 1 A 65 65 HIS N N 65 120.793 116.627 4.166 1
1 719 . 20 1 1 A 66 66 LEU H H 66 8.206 8.119 0.087 1
1 720 . 20 1 1 A 66 66 LEU HA H 66 3.893 4.293 -0.400 1
1 730 . 20 1 1 A 66 66 LEU C C 66 178.826 176.452 2.374 1
1 731 . 20 1 1 A 66 66 LEU CA C 66 57.857 54.376 3.481 1
1 732 . 20 1 1 A 66 66 LEU CB C 66 42.245 41.420 0.825 1
1 736 . 20 1 1 A 66 66 LEU N N 66 124.390 124.679 -0.289 1
1 737 . 20 1 1 A 67 67 TYR H H 67 8.612 7.618 0.994 1
1 738 . 20 1 1 A 67 67 TYR HA H 67 5.417 4.885 0.532 1
1 745 . 20 1 1 A 67 67 TYR C C 67 176.403 174.795 1.608 1
1 746 . 20 1 1 A 67 67 TYR CA C 67 55.320 57.088 -1.768 1
1 747 . 20 1 1 A 67 67 TYR CB C 67 35.524 37.703 -2.179 1
1 752 . 20 1 1 A 67 67 TYR N N 67 118.042 119.164 -1.122 1
1 753 . 20 1 1 A 68 68 SER H H 68 6.652 7.837 -1.185 1
1 754 . 20 1 1 A 68 68 SER HA H 68 5.742 5.311 0.431 1
1 757 . 20 1 1 A 68 68 SER C C 68 174.827 173.829 0.998 1
1 758 . 20 1 1 A 68 68 SER CA C 68 56.147 56.363 -0.216 1
1 759 . 20 1 1 A 68 68 SER CB C 68 65.504 65.430 0.074 1
1 760 . 20 1 1 A 68 68 SER N N 68 111.076 112.888 -1.812 1
1 761 . 20 1 1 A 69 69 PHE H H 69 9.089 8.375 0.714 1
1 762 . 20 1 1 A 69 69 PHE HA H 69 5.212 5.756 -0.544 1
1 770 . 20 1 1 A 69 69 PHE C C 69 171.676 172.869 -1.193 1
1 771 . 20 1 1 A 69 69 PHE CA C 69 55.918 55.364 0.554 1
1 772 . 20 1 1 A 69 69 PHE CB C 69 41.034 42.123 -1.089 1
1 778 . 20 1 1 A 69 69 PHE N N 69 121.539 118.505 3.034 1
1 779 . 20 1 1 A 70 70 ARG H H 70 9.299 8.930 0.369 1
1 780 . 20 1 1 A 70 70 ARG HA H 70 5.333 5.166 0.167 1
1 787 . 20 1 1 A 70 70 ARG C C 70 174.197 174.342 -0.145 1
1 788 . 20 1 1 A 70 70 ARG CA C 70 54.198 54.466 -0.268 1
1 789 . 20 1 1 A 70 70 ARG CB C 70 35.236 33.963 1.273 1
1 792 . 20 1 1 A 70 70 ARG N N 70 117.458 118.539 -1.081 1
1 794 . 20 1 1 A 71 71 ILE H H 71 8.505 8.520 -0.015 1
1 795 . 20 1 1 A 71 71 ILE HA H 71 4.974 5.252 -0.278 1
1 805 . 20 1 1 A 71 71 ILE C C 71 174.996 175.112 -0.116 1
1 806 . 20 1 1 A 71 71 ILE CA C 71 60.622 59.860 0.762 1
1 807 . 20 1 1 A 71 71 ILE CB C 71 39.636 40.786 -1.150 1
1 811 . 20 1 1 A 71 71 ILE N N 71 119.757 123.203 -3.446 1
1 812 . 20 1 1 A 72 72 LEU H H 72 9.488 9.191 0.297 1
1 813 . 20 1 1 A 72 72 LEU HA H 72 5.473 5.406 0.067 1
1 823 . 20 1 1 A 72 72 LEU C C 72 176.172 175.392 0.780 1
1 824 . 20 1 1 A 72 72 LEU CA C 72 53.507 54.014 -0.507 1
1 825 . 20 1 1 A 72 72 LEU CB C 72 46.393 46.069 0.324 1
1 829 . 20 1 1 A 72 72 LEU N N 72 128.277 125.451 2.826 1
1 830 . 20 1 1 A 73 73 HIS H H 73 9.087 9.433 -0.346 1
1 831 . 20 1 1 A 73 73 HIS HA H 73 4.888 4.919 -0.031 1
1 836 . 20 1 1 A 73 73 HIS C C 73 175.118 174.330 0.788 1
1 837 . 20 1 1 A 73 73 HIS CA C 73 56.675 55.532 1.143 1
1 838 . 20 1 1 A 73 73 HIS CB C 73 32.933 31.368 1.565 1
1 841 . 20 1 1 A 73 73 HIS N N 73 119.084 122.960 -3.876 1
1 842 . 20 1 1 A 74 74 LYS H H 74 9.551 9.523 0.028 1
1 843 . 20 1 1 A 74 74 LYS HA H 74 3.763 3.834 -0.071 1
1 852 . 20 1 1 A 74 74 LYS C C 74 176.851 176.715 0.136 1
1 853 . 20 1 1 A 74 74 LYS CA C 74 56.969 57.461 -0.492 1
1 854 . 20 1 1 A 74 74 LYS CB C 74 29.766 30.016 -0.250 1
1 858 . 20 1 1 A 74 74 LYS N N 74 128.764 127.049 1.715 1
1 859 . 20 1 1 A 75 75 GLY H H 75 8.877 8.436 0.441 1
1 860 . 20 1 1 A 75 75 GLY HA2 H 75 3.523 3.874 -0.351 1
1 861 . 20 1 1 A 75 75 GLY HA3 H 75 4.213 3.875 0.338 1
1 862 . 20 1 1 A 75 75 GLY C C 75 173.566 173.850 -0.284 1
1 863 . 20 1 1 A 75 75 GLY CA C 75 45.346 45.155 0.191 1
1 864 . 20 1 1 A 75 75 GLY N N 75 104.552 105.290 -0.738 1
1 865 . 20 1 1 A 76 76 GLU H H 76 7.922 7.850 0.072 1
1 866 . 20 1 1 A 76 76 GLU HA H 76 4.491 4.627 -0.136 1
1 871 . 20 1 1 A 76 76 GLU C C 76 175.651 175.371 0.280 1
1 872 . 20 1 1 A 76 76 GLU CA C 76 54.721 55.344 -0.623 1
1 873 . 20 1 1 A 76 76 GLU CB C 76 31.187 30.634 0.553 1
1 875 . 20 1 1 A 76 76 GLU N N 76 121.492 120.350 1.142 1
1 876 . 20 1 1 A 77 77 GLU H H 77 8.925 8.759 0.166 1
1 877 . 20 1 1 A 77 77 GLU HA H 77 4.309 4.537 -0.228 1
1 881 . 20 1 1 A 77 77 GLU C C 77 175.857 175.781 0.076 1
1 882 . 20 1 1 A 77 77 GLU CA C 77 57.412 56.971 0.441 1
1 883 . 20 1 1 A 77 77 GLU CB C 77 31.146 30.667 0.479 1
1 885 . 20 1 1 A 77 77 GLU N N 77 125.541 123.281 2.260 1
1 886 . 20 1 1 A 78 78 LEU H H 78 9.475 8.698 0.777 1
1 887 . 20 1 1 A 78 78 LEU HA H 78 4.513 4.433 0.080 1
1 897 . 20 1 1 A 78 78 LEU C C 78 177.541 176.531 1.010 1
1 898 . 20 1 1 A 78 78 LEU CA C 78 55.443 56.000 -0.557 1
1 899 . 20 1 1 A 78 78 LEU CB C 78 43.776 43.130 0.646 1
1 903 . 20 1 1 A 78 78 LEU N N 78 128.715 127.672 1.043 1
1 904 . 20 1 1 A 79 79 ALA H H 79 7.550 7.536 0.014 1
1 905 . 20 1 1 A 79 79 ALA HA H 79 4.503 4.626 -0.123 1
1 909 . 20 1 1 A 79 79 ALA C C 79 174.342 175.214 -0.872 1
1 910 . 20 1 1 A 79 79 ALA CA C 79 51.906 51.567 0.339 1
1 911 . 20 1 1 A 79 79 ALA CB C 79 22.017 22.470 -0.453 1
1 912 . 20 1 1 A 79 79 ALA N N 79 116.317 116.483 -0.166 1
1 913 . 20 1 1 A 80 80 LYS H H 80 8.743 8.660 0.083 1
1 914 . 20 1 1 A 80 80 LYS HA H 80 4.725 4.898 -0.173 1
1 923 . 20 1 1 A 80 80 LYS C C 80 172.973 174.419 -1.446 1
1 924 . 20 1 1 A 80 80 LYS CA C 80 56.604 55.368 1.236 1
1 925 . 20 1 1 A 80 80 LYS CB C 80 34.331 36.051 -1.720 1
1 929 . 20 1 1 A 80 80 LYS N N 80 123.623 119.546 4.077 1
1 930 . 20 1 1 A 81 81 LEU H H 81 8.504 8.871 -0.367 1
1 931 . 20 1 1 A 81 81 LEU HA H 81 5.531 5.574 -0.043 1
1 941 . 20 1 1 A 81 81 LEU C C 81 176.366 175.392 0.974 1
1 942 . 20 1 1 A 81 81 LEU CA C 81 53.665 53.193 0.472 1
1 943 . 20 1 1 A 81 81 LEU CB C 81 45.969 45.258 0.711 1
1 947 . 20 1 1 A 81 81 LEU N N 81 124.594 127.968 -3.374 1
1 948 . 20 1 1 A 82 82 GLU H H 82 9.018 8.460 0.558 1
1 949 . 20 1 1 A 82 82 GLU HA H 82 4.826 4.537 0.289 1
1 954 . 20 1 1 A 82 82 GLU C C 82 174.439 175.668 -1.229 1
1 955 . 20 1 1 A 82 82 GLU CA C 82 56.376 54.279 2.097 1
1 956 . 20 1 1 A 82 82 GLU CB C 82 32.852 32.786 0.066 1
1 958 . 20 1 1 A 82 82 GLU N N 82 118.819 121.366 -2.547 1
1 959 . 20 1 1 A 83 83 ALA H H 83 8.027 8.896 -0.869 1
1 960 . 20 1 1 A 83 83 ALA HA H 83 4.980 4.556 0.424 1
1 964 . 20 1 1 A 83 83 ALA C C 83 176.439 179.134 -2.695 1
1 965 . 20 1 1 A 83 83 ALA CA C 83 50.059 51.283 -1.224 1
1 966 . 20 1 1 A 83 83 ALA CB C 83 21.702 20.472 1.230 1
1 967 . 20 1 1 A 83 83 ALA N N 83 127.765 128.469 -0.704 1
1 968 . 20 1 1 A 84 84 LYS H H 84 9.017 8.646 0.371 1
1 969 . 20 1 1 A 84 84 LYS HA H 84 4.432 4.512 -0.080 1
1 977 . 20 1 1 A 84 84 LYS C C 84 175.930 176.402 -0.472 1
1 978 . 20 1 1 A 84 84 LYS CA C 84 56.956 56.761 0.195 1
1 979 . 20 1 1 A 84 84 LYS CB C 84 32.974 33.872 -0.898 1
1 983 . 20 1 1 A 84 84 LYS N N 84 115.456 116.661 -1.205 1
1 984 . 20 1 1 A 85 85 SER H H 85 7.324 7.749 -0.425 1
1 985 . 20 1 1 A 85 85 SER HA H 85 4.074 4.299 -0.225 1
1 988 . 20 1 1 A 85 85 SER C C 85 173.421 174.693 -1.272 1
1 989 . 20 1 1 A 85 85 SER CA C 85 56.038 55.728 0.310 1
1 990 . 20 1 1 A 85 85 SER CB C 85 66.506 65.046 1.460 1
1 991 . 20 1 1 A 85 85 SER N N 85 110.261 115.024 -4.763 1
1 992 . 20 1 1 A 86 86 SER H H 86 8.610 7.866 0.744 1
1 993 . 20 1 1 A 86 86 SER HA H 86 3.648 3.816 -0.168 1
1 996 . 20 1 1 A 86 86 SER C C 86 177.784 176.331 1.453 1
1 997 . 20 1 1 A 86 86 SER CA C 86 61.391 61.800 -0.409 1
1 998 . 20 1 1 A 86 86 SER CB C 86 62.378 62.652 -0.274 1
1 999 . 20 1 1 A 86 86 SER N N 86 117.136 120.664 -3.528 1
1 1000 . 20 1 1 A 87 87 GLU H H 87 8.890 7.749 1.141 1
1 1001 . 20 1 1 A 87 87 GLU HA H 87 4.031 4.053 -0.022 1
1 1006 . 20 1 1 A 87 87 GLU C C 87 179.492 179.092 0.400 1
1 1007 . 20 1 1 A 87 87 GLU CA C 87 59.983 59.331 0.652 1
1 1008 . 20 1 1 A 87 87 GLU CB C 87 28.969 29.126 -0.157 1
1 1010 . 20 1 1 A 87 87 GLU N N 87 123.189 122.138 1.051 1
1 1011 . 20 1 1 A 88 88 GLU H H 88 8.015 8.150 -0.135 1
1 1012 . 20 1 1 A 88 88 GLU HA H 88 4.243 4.137 0.106 1
1 1017 . 20 1 1 A 88 88 GLU C C 88 178.472 178.812 -0.340 1
1 1018 . 20 1 1 A 88 88 GLU CA C 88 59.642 59.393 0.249 1
1 1019 . 20 1 1 A 88 88 GLU CB C 88 31.016 29.285 1.731 1
1 1021 . 20 1 1 A 88 88 GLU N N 88 121.015 119.745 1.270 1
1 1022 . 20 1 1 A 89 89 MET H H 89 8.334 8.452 -0.118 1
1 1023 . 20 1 1 A 89 89 MET HA H 89 3.843 4.315 -0.472 1
1 1030 . 20 1 1 A 89 89 MET C C 89 177.396 178.629 -1.233 1
1 1031 . 20 1 1 A 89 89 MET CA C 89 60.458 58.032 2.426 1
1 1032 . 20 1 1 A 89 89 MET CB C 89 32.481 32.503 -0.022 1
1 1035 . 20 1 1 A 89 89 MET N N 89 119.764 118.936 0.828 1
1 1036 . 20 1 1 A 90 90 GLY H H 90 8.452 8.231 0.221 1
1 1037 . 20 1 1 A 90 90 GLY HA2 H 90 4.008 3.672 0.336 1
1 1038 . 20 1 1 A 90 90 GLY HA3 H 90 3.723 3.692 0.031 1
1 1039 . 20 1 1 A 90 90 GLY C C 90 176.814 175.648 1.166 1
1 1040 . 20 1 1 A 90 90 GLY CA C 90 47.489 46.961 0.528 1
1 1041 . 20 1 1 A 90 90 GLY N N 90 105.180 108.587 -3.407 1
1 1042 . 20 1 1 A 91 91 HIS H H 91 7.919 8.069 -0.150 1
1 1043 . 20 1 1 A 91 91 HIS HA H 91 4.329 4.166 0.163 1
1 1048 . 20 1 1 A 91 91 HIS C C 91 178.208 177.067 1.141 1
1 1049 . 20 1 1 A 91 91 HIS CA C 91 59.367 58.620 0.747 1
1 1050 . 20 1 1 A 91 91 HIS CB C 91 30.612 29.845 0.767 1
1 1053 . 20 1 1 A 91 91 HIS N N 91 121.929 121.374 0.555 1
1 1054 . 20 1 1 A 92 92 TRP H H 92 8.199 7.452 0.747 1
1 1055 . 20 1 1 A 92 92 TRP HA H 92 3.829 4.190 -0.361 1
1 1064 . 20 1 1 A 92 92 TRP C C 92 178.257 178.531 -0.274 1
1 1065 . 20 1 1 A 92 92 TRP CA C 92 62.464 59.549 2.915 1
1 1066 . 20 1 1 A 92 92 TRP CB C 92 29.190 29.696 -0.506 1
1 1072 . 20 1 1 A 92 92 TRP N N 92 120.070 117.902 2.168 1
1 1074 . 20 1 1 A 93 93 LEU H H 93 8.740 8.282 0.458 1
1 1075 . 20 1 1 A 93 93 LEU HA H 93 3.695 3.695 0.000 1
1 1085 . 20 1 1 A 93 93 LEU C C 93 179.105 179.176 -0.071 1
1 1086 . 20 1 1 A 93 93 LEU CA C 93 59.076 58.209 0.867 1
1 1087 . 20 1 1 A 93 93 LEU CB C 93 40.993 41.894 -0.901 1
1 1091 . 20 1 1 A 93 93 LEU N N 93 119.445 120.202 -0.757 1
1 1092 . 20 1 1 A 94 94 GLY H H 94 7.616 8.132 -0.516 1
1 1093 . 20 1 1 A 94 94 GLY HA2 H 94 3.852 3.628 0.224 1
1 1094 . 20 1 1 A 94 94 GLY HA3 H 94 3.759 3.644 0.115 1
1 1095 . 20 1 1 A 94 94 GLY C C 94 176.693 175.603 1.090 1
1 1096 . 20 1 1 A 94 94 GLY CA C 94 47.120 47.227 -0.107 1
1 1097 . 20 1 1 A 94 94 GLY N N 94 102.951 105.526 -2.575 1
1 1098 . 20 1 1 A 95 95 LEU H H 95 7.853 7.587 0.266 1
1 1099 . 20 1 1 A 95 95 LEU HA H 95 4.024 3.928 0.096 1
1 1109 . 20 1 1 A 95 95 LEU C C 95 179.589 178.656 0.933 1
1 1110 . 20 1 1 A 95 95 LEU CA C 95 57.678 57.195 0.483 1
1 1111 . 20 1 1 A 95 95 LEU CB C 95 42.533 41.034 1.499 1
1 1115 . 20 1 1 A 95 95 LEU N N 95 123.479 122.760 0.719 1
1 1116 . 20 1 1 A 96 96 LEU H H 96 8.649 8.327 0.322 1
1 1117 . 20 1 1 A 96 96 LEU HA H 96 3.971 4.110 -0.139 1
1 1127 . 20 1 1 A 96 96 LEU C C 96 179.068 179.303 -0.235 1
1 1128 . 20 1 1 A 96 96 LEU CA C 96 57.906 57.756 0.150 1
1 1129 . 20 1 1 A 96 96 LEU CB C 96 42.104 41.674 0.430 1
1 1133 . 20 1 1 A 96 96 LEU N N 96 118.046 118.177 -0.131 1
1 1134 . 20 1 1 A 97 97 LEU H H 97 8.198 8.280 -0.082 1
1 1135 . 20 1 1 A 97 97 LEU HA H 97 4.234 4.015 0.219 1
1 1145 . 20 1 1 A 97 97 LEU C C 97 180.177 179.169 1.008 1
1 1146 . 20 1 1 A 97 97 LEU CA C 97 57.361 58.074 -0.713 1
1 1147 . 20 1 1 A 97 97 LEU CB C 97 41.611 41.366 0.245 1
1 1151 . 20 1 1 A 97 97 LEU N N 97 118.670 118.977 -0.307 1
1 1152 . 20 1 1 A 98 98 SER H H 98 7.818 8.016 -0.198 1
1 1153 . 20 1 1 A 98 98 SER HA H 98 4.328 4.025 0.303 1
1 1156 . 20 1 1 A 98 98 SER C C 98 176.863 177.356 -0.493 1
1 1157 . 20 1 1 A 98 98 SER CA C 98 61.004 61.583 -0.579 1
1 1158 . 20 1 1 A 98 98 SER CB C 98 63.322 62.774 0.548 1
1 1159 . 20 1 1 A 98 98 SER N N 98 115.679 113.557 2.122 1
1 1160 . 20 1 1 A 99 99 GLU H H 99 8.003 7.574 0.429 1
1 1161 . 20 1 1 A 99 99 GLU HA H 99 4.193 4.130 0.063 1
1 1166 . 20 1 1 A 99 99 GLU C C 99 177.226 177.192 0.034 1
1 1167 . 20 1 1 A 99 99 GLU CA C 99 57.449 58.963 -1.514 1
1 1168 . 20 1 1 A 99 99 GLU CB C 99 30.260 29.444 0.816 1
1 1170 . 20 1 1 A 99 99 GLU N N 99 120.518 121.357 -0.839 1
1 1171 . 20 1 1 A 100 100 SER H H 100 7.892 8.148 -0.256 1
1 1172 . 20 1 1 A 100 100 SER HA H 100 4.582 4.477 0.105 1
1 1175 . 20 1 1 A 100 100 SER C C 100 175.881 174.082 1.799 1
1 1176 . 20 1 1 A 100 100 SER CA C 100 59.561 57.824 1.737 1
1 1177 . 20 1 1 A 100 100 SER CB C 100 64.188 62.474 1.714 1
1 1178 . 20 1 1 A 100 100 SER N N 100 113.686 111.875 1.811 1
1 1179 . 20 1 1 A 101 101 GLY H H 101 7.861 8.410 -0.549 1
1 1180 . 20 1 1 A 101 101 GLY HA2 H 101 4.114 4.245 -0.131 1
1 1181 . 20 1 1 A 101 101 GLY HA3 H 101 4.063 4.251 -0.188 1
1 1182 . 20 1 1 A 101 101 GLY C C 101 174.076 172.053 2.023 1
1 1183 . 20 1 1 A 101 101 GLY CA C 101 45.501 44.703 0.798 1
1 1184 . 20 1 1 A 101 101 GLY N N 101 109.148 112.300 -3.152 1
1 1185 . 20 1 1 A 102 102 SER H H 102 8.260 8.880 -0.620 1
1 1186 . 20 1 1 A 102 102 SER HA H 102 4.543 4.869 -0.326 1
1 1189 . 20 1 1 A 102 102 SER C C 102 174.851 173.221 1.630 1
1 1190 . 20 1 1 A 102 102 SER CA C 102 58.646 57.132 1.514 1
1 1191 . 20 1 1 A 102 102 SER CB C 102 64.211 63.546 0.665 1
1 1192 . 20 1 1 A 102 102 SER N N 102 116.298 119.385 -3.087 1
1 1193 . 20 1 1 A 103 103 GLY H H 103 8.252 8.322 -0.070 1
1 1194 . 20 1 1 A 103 103 GLY HA2 H 103 4.173 4.259 -0.086 1
1 1195 . 20 1 1 A 103 103 GLY HA3 H 103 4.074 4.260 -0.186 1
1 1196 . 20 1 1 A 103 103 GLY C C 103 171.773 171.679 0.094 1
1 1197 . 20 1 1 A 103 103 GLY CA C 103 44.777 45.691 -0.914 1
1 1198 . 20 1 1 A 103 103 GLY N N 103 110.162 113.949 -3.787 1
1 1199 . 20 1 1 A 104 104 PRO HA H 104 4.515 4.590 -0.075 1
1 1206 . 20 1 1 A 104 104 PRO CA C 104 63.224 62.741 0.483 1
1 1207 . 20 1 1 A 104 104 PRO CB C 104 32.174 32.048 0.126 1
1 1210 . 20 1 1 A 105 105 SER H H 105 8.559 8.589 -0.030 1
1 1211 . 20 1 1 A 105 105 SER CA C 105 60.998 57.177 3.821 1
1 1212 . 20 1 1 A 105 105 SER CB C 105 63.768 63.555 0.213 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 89 1.065 1
2 1 1 1 "RMS(OBS, PRED)" CA 99 1.157 1
3 1 1 1 "RMS(OBS, PRED)" CB 90 1.382 1
4 1 1 1 "RMS(OBS, PRED)" H 93 0.529 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.367 1
6 1 1 1 "RMS(OBS, PRED)" N 89 2.413 1
7 1 2 1 "RMS(OBS, PRED)" C 89 1.058 1
8 1 2 1 "RMS(OBS, PRED)" CA 99 1.296 1
9 1 2 1 "RMS(OBS, PRED)" CB 90 1.358 1
10 1 2 1 "RMS(OBS, PRED)" H 93 0.561 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.394 1
12 1 2 1 "RMS(OBS, PRED)" N 89 2.945 1
13 1 3 1 "RMS(OBS, PRED)" C 89 0.990 1
14 1 3 1 "RMS(OBS, PRED)" CA 99 1.118 1
15 1 3 1 "RMS(OBS, PRED)" CB 90 1.225 1
16 1 3 1 "RMS(OBS, PRED)" H 93 0.539 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.313 1
18 1 3 1 "RMS(OBS, PRED)" N 89 2.738 1
19 1 4 1 "RMS(OBS, PRED)" C 89 1.053 1
20 1 4 1 "RMS(OBS, PRED)" CA 99 1.275 1
21 1 4 1 "RMS(OBS, PRED)" CB 90 1.238 1
22 1 4 1 "RMS(OBS, PRED)" H 93 0.570 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.304 1
24 1 4 1 "RMS(OBS, PRED)" N 89 2.372 1
25 1 5 1 "RMS(OBS, PRED)" C 89 1.073 1
26 1 5 1 "RMS(OBS, PRED)" CA 99 1.272 1
27 1 5 1 "RMS(OBS, PRED)" CB 90 1.372 1
28 1 5 1 "RMS(OBS, PRED)" H 93 0.508 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.309 1
30 1 5 1 "RMS(OBS, PRED)" N 89 2.671 1
31 1 6 1 "RMS(OBS, PRED)" C 89 1.050 1
32 1 6 1 "RMS(OBS, PRED)" CA 99 1.124 1
33 1 6 1 "RMS(OBS, PRED)" CB 90 1.320 1
34 1 6 1 "RMS(OBS, PRED)" H 93 0.580 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.362 1
36 1 6 1 "RMS(OBS, PRED)" N 89 2.776 1
37 1 7 1 "RMS(OBS, PRED)" C 89 1.025 1
38 1 7 1 "RMS(OBS, PRED)" CA 99 1.196 1
39 1 7 1 "RMS(OBS, PRED)" CB 90 1.348 1
40 1 7 1 "RMS(OBS, PRED)" H 93 0.551 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.329 1
42 1 7 1 "RMS(OBS, PRED)" N 89 2.621 1
43 1 8 1 "RMS(OBS, PRED)" C 89 0.991 1
44 1 8 1 "RMS(OBS, PRED)" CA 99 1.224 1
45 1 8 1 "RMS(OBS, PRED)" CB 90 1.429 1
46 1 8 1 "RMS(OBS, PRED)" H 93 0.571 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.336 1
48 1 8 1 "RMS(OBS, PRED)" N 89 2.941 1
49 1 9 1 "RMS(OBS, PRED)" C 89 1.045 1
50 1 9 1 "RMS(OBS, PRED)" CA 99 1.181 1
51 1 9 1 "RMS(OBS, PRED)" CB 90 1.243 1
52 1 9 1 "RMS(OBS, PRED)" H 93 0.521 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.312 1
54 1 9 1 "RMS(OBS, PRED)" N 89 2.204 1
55 1 10 1 "RMS(OBS, PRED)" C 89 1.088 1
56 1 10 1 "RMS(OBS, PRED)" CA 99 1.236 1
57 1 10 1 "RMS(OBS, PRED)" CB 90 1.364 1
58 1 10 1 "RMS(OBS, PRED)" H 93 0.565 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.352 1
60 1 10 1 "RMS(OBS, PRED)" N 89 2.647 1
61 1 11 1 "RMS(OBS, PRED)" C 89 0.977 1
62 1 11 1 "RMS(OBS, PRED)" CA 99 1.220 1
63 1 11 1 "RMS(OBS, PRED)" CB 90 1.314 1
64 1 11 1 "RMS(OBS, PRED)" H 93 0.560 1
65 1 11 1 "RMS(OBS, PRED)" HA 105 0.312 1
66 1 11 1 "RMS(OBS, PRED)" N 89 2.785 1
67 1 12 1 "RMS(OBS, PRED)" C 89 0.977 1
68 1 12 1 "RMS(OBS, PRED)" CA 99 1.256 1
69 1 12 1 "RMS(OBS, PRED)" CB 90 1.432 1
70 1 12 1 "RMS(OBS, PRED)" H 93 0.549 1
71 1 12 1 "RMS(OBS, PRED)" HA 105 0.312 1
72 1 12 1 "RMS(OBS, PRED)" N 89 3.044 1
73 1 13 1 "RMS(OBS, PRED)" C 89 1.032 1
74 1 13 1 "RMS(OBS, PRED)" CA 99 1.245 1
75 1 13 1 "RMS(OBS, PRED)" CB 90 1.311 1
76 1 13 1 "RMS(OBS, PRED)" H 93 0.511 1
77 1 13 1 "RMS(OBS, PRED)" HA 105 0.373 1
78 1 13 1 "RMS(OBS, PRED)" N 89 2.436 1
79 1 14 1 "RMS(OBS, PRED)" C 89 1.079 1
80 1 14 1 "RMS(OBS, PRED)" CA 99 1.119 1
81 1 14 1 "RMS(OBS, PRED)" CB 90 1.282 1
82 1 14 1 "RMS(OBS, PRED)" H 93 0.474 1
83 1 14 1 "RMS(OBS, PRED)" HA 105 0.345 1
84 1 14 1 "RMS(OBS, PRED)" N 89 2.524 1
85 1 15 1 "RMS(OBS, PRED)" C 89 1.053 1
86 1 15 1 "RMS(OBS, PRED)" CA 99 1.277 1
87 1 15 1 "RMS(OBS, PRED)" CB 90 1.401 1
88 1 15 1 "RMS(OBS, PRED)" H 93 0.532 1
89 1 15 1 "RMS(OBS, PRED)" HA 105 0.330 1
90 1 15 1 "RMS(OBS, PRED)" N 89 3.162 1
91 1 16 1 "RMS(OBS, PRED)" C 89 1.098 1
92 1 16 1 "RMS(OBS, PRED)" CA 99 1.353 1
93 1 16 1 "RMS(OBS, PRED)" CB 90 1.408 1
94 1 16 1 "RMS(OBS, PRED)" H 93 0.562 1
95 1 16 1 "RMS(OBS, PRED)" HA 105 0.324 1
96 1 16 1 "RMS(OBS, PRED)" N 89 3.040 1
97 1 17 1 "RMS(OBS, PRED)" C 89 1.022 1
98 1 17 1 "RMS(OBS, PRED)" CA 99 1.287 1
99 1 17 1 "RMS(OBS, PRED)" CB 90 1.362 1
100 1 17 1 "RMS(OBS, PRED)" H 93 0.525 1
101 1 17 1 "RMS(OBS, PRED)" HA 105 0.315 1
102 1 17 1 "RMS(OBS, PRED)" N 89 2.852 1
103 1 18 1 "RMS(OBS, PRED)" C 89 0.991 1
104 1 18 1 "RMS(OBS, PRED)" CA 99 1.252 1
105 1 18 1 "RMS(OBS, PRED)" CB 90 1.475 1
106 1 18 1 "RMS(OBS, PRED)" H 93 0.504 1
107 1 18 1 "RMS(OBS, PRED)" HA 105 0.373 1
108 1 18 1 "RMS(OBS, PRED)" N 89 3.113 1
109 1 19 1 "RMS(OBS, PRED)" C 89 1.077 1
110 1 19 1 "RMS(OBS, PRED)" CA 99 1.329 1
111 1 19 1 "RMS(OBS, PRED)" CB 90 1.419 1
112 1 19 1 "RMS(OBS, PRED)" H 93 0.626 1
113 1 19 1 "RMS(OBS, PRED)" HA 105 0.377 1
114 1 19 1 "RMS(OBS, PRED)" N 89 3.339 1
115 1 20 1 "RMS(OBS, PRED)" C 89 1.040 1
116 1 20 1 "RMS(OBS, PRED)" CA 99 1.336 1
117 1 20 1 "RMS(OBS, PRED)" CB 90 1.318 1
118 1 20 1 "RMS(OBS, PRED)" H 93 0.537 1
119 1 20 1 "RMS(OBS, PRED)" HA 105 0.307 1
120 1 20 1 "RMS(OBS, PRED)" N 89 3.096 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.952 4.003 -0.051 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.952 4.034 -0.082 2
1 3 . 1 1 A 7 7 GLY C C 7 174.197 173.255 0.942 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.378 45.526 -0.148 2
1 5 . 1 1 A 8 8 LEU H H 8 8.030 8.241 -0.211 2
1 6 . 1 1 A 8 8 LEU HA H 8 4.321 4.678 -0.357 2
1 16 . 1 1 A 8 8 LEU C C 8 177.468 175.568 1.900 2
1 17 . 1 1 A 8 8 LEU CA C 8 55.320 54.171 1.149 2
1 18 . 1 1 A 8 8 LEU CB C 8 42.556 43.852 -1.296 2
1 22 . 1 1 A 8 8 LEU N N 8 121.494 123.068 -1.574 2
1 23 . 1 1 A 9 9 GLU H H 9 8.577 8.509 0.068 2
1 24 . 1 1 A 9 9 GLU HA H 9 4.454 4.394 0.060 2
1 29 . 1 1 A 9 9 GLU C C 9 177.056 177.390 -0.334 2
1 30 . 1 1 A 9 9 GLU CA C 9 56.956 56.101 0.855 2
1 31 . 1 1 A 9 9 GLU CB C 9 30.237 30.671 -0.434 2
1 33 . 1 1 A 9 9 GLU N N 9 121.449 123.738 -2.289 2
1 34 . 1 1 A 10 10 THR H H 10 8.189 8.560 -0.371 2
1 35 . 1 1 A 10 10 THR HA H 10 4.323 3.863 0.460 2
1 40 . 1 1 A 10 10 THR CA C 10 62.062 64.445 -2.383 2
1 41 . 1 1 A 10 10 THR CB C 10 69.441 68.214 1.227 2
1 43 . 1 1 A 10 10 THR N N 10 113.730 116.028 -2.298 2
1 44 . 1 1 A 11 11 SER H H 11 7.883 7.837 0.046 2
1 45 . 1 1 A 11 11 SER HA H 11 5.249 4.762 0.487 2
1 48 . 1 1 A 11 11 SER CA C 11 57.852 58.361 -0.509 2
1 49 . 1 1 A 11 11 SER CB C 11 65.426 63.441 1.985 2
1 50 . 1 1 A 12 12 SER H H 12 8.413 8.652 -0.239 2
1 51 . 1 1 A 12 12 SER HA H 12 4.467 4.764 -0.297 2
1 54 . 1 1 A 12 12 SER CA C 12 58.741 57.151 1.590 2
1 55 . 1 1 A 12 12 SER CB C 12 65.239 65.899 -0.660 2
1 56 . 1 1 A 12 12 SER N N 12 116.995 120.017 -3.022 2
1 57 . 1 1 A 13 13 TYR H H 13 8.156 8.318 -0.162 2
1 58 . 1 1 A 13 13 TYR HA H 13 4.936 4.515 0.421 2
1 65 . 1 1 A 13 13 TYR CA C 13 58.533 57.707 0.826 2
1 68 . 1 1 A 13 13 TYR N N 13 121.972 123.266 -1.294 2
1 69 . 1 1 A 14 14 LEU H H 14 8.803 8.611 0.192 2
1 70 . 1 1 A 14 14 LEU HA H 14 4.573 4.886 -0.313 2
1 80 . 1 1 A 14 14 LEU C C 14 175.845 175.707 0.138 2
1 81 . 1 1 A 14 14 LEU CA C 14 54.141 53.257 0.884 2
1 82 . 1 1 A 14 14 LEU CB C 14 46.603 44.436 2.167 2
1 86 . 1 1 A 14 14 LEU N N 14 123.967 126.237 -2.270 2
1 87 . 1 1 A 15 15 ASN H H 15 8.090 8.684 -0.594 2
1 88 . 1 1 A 15 15 ASN HA H 15 5.669 5.292 0.377 2
1 93 . 1 1 A 15 15 ASN C C 15 174.972 174.251 0.721 2
1 94 . 1 1 A 15 15 ASN CA C 15 51.589 52.592 -1.003 2
1 95 . 1 1 A 15 15 ASN CB C 15 40.317 39.534 0.783 2
1 96 . 1 1 A 15 15 ASN N N 15 117.248 119.833 -2.585 2
1 98 . 1 1 A 16 16 VAL H H 16 9.452 8.494 0.958 2
1 99 . 1 1 A 16 16 VAL HA H 16 4.743 4.603 0.140 2
1 107 . 1 1 A 16 16 VAL C C 16 174.269 176.195 -1.926 2
1 108 . 1 1 A 16 16 VAL CA C 16 60.574 61.958 -1.384 2
1 109 . 1 1 A 16 16 VAL CB C 16 35.194 32.387 2.807 2
1 112 . 1 1 A 16 16 VAL N N 16 122.909 125.604 -2.695 2
1 113 . 1 1 A 17 17 LEU H H 17 7.892 8.701 -0.809 2
1 114 . 1 1 A 17 17 LEU HA H 17 3.679 3.935 -0.256 2
1 124 . 1 1 A 17 17 LEU C C 17 175.747 175.274 0.473 2
1 125 . 1 1 A 17 17 LEU CA C 17 54.493 56.060 -1.567 2
1 126 . 1 1 A 17 17 LEU CB C 17 40.541 41.607 -1.066 2
1 130 . 1 1 A 17 17 LEU N N 17 130.093 130.784 -0.691 2
1 131 . 1 1 A 18 18 VAL H H 18 8.923 8.710 0.213 2
1 132 . 1 1 A 18 18 VAL HA H 18 4.053 4.248 -0.195 2
1 140 . 1 1 A 18 18 VAL C C 18 175.869 175.750 0.119 2
1 141 . 1 1 A 18 18 VAL CA C 18 61.285 61.696 -0.411 2
1 142 . 1 1 A 18 18 VAL CB C 18 33.609 33.869 -0.260 2
1 145 . 1 1 A 18 18 VAL N N 18 130.417 127.569 2.848 2
1 146 . 1 1 A 19 19 ASN H H 19 9.323 9.137 0.186 2
1 147 . 1 1 A 19 19 ASN HA H 19 4.232 4.430 -0.198 2
1 152 . 1 1 A 19 19 ASN C C 19 174.948 174.804 0.144 2
1 153 . 1 1 A 19 19 ASN CA C 19 54.809 53.931 0.878 2
1 154 . 1 1 A 19 19 ASN CB C 19 37.192 36.874 0.318 2
1 155 . 1 1 A 19 19 ASN N N 19 127.579 125.753 1.826 2
1 157 . 1 1 A 20 20 SER H H 20 8.464 8.341 0.123 2
1 158 . 1 1 A 20 20 SER HA H 20 3.653 3.911 -0.258 2
1 161 . 1 1 A 20 20 SER C C 20 172.645 172.874 -0.229 2
1 162 . 1 1 A 20 20 SER CA C 20 60.458 59.447 1.010 2
1 163 . 1 1 A 20 20 SER CB C 20 62.584 61.662 0.922 2
1 164 . 1 1 A 20 20 SER N N 20 106.869 110.112 -3.244 2
1 165 . 1 1 A 21 21 GLN H H 21 7.695 7.364 0.331 2
1 166 . 1 1 A 21 21 GLN HA H 21 4.591 4.675 -0.084 2
1 173 . 1 1 A 21 21 GLN C C 21 174.003 174.564 -0.560 2
1 174 . 1 1 A 21 21 GLN CA C 21 53.772 54.244 -0.472 2
1 175 . 1 1 A 21 21 GLN CB C 21 32.069 32.100 -0.031 2
1 177 . 1 1 A 21 21 GLN N N 21 120.372 118.040 2.333 2
1 179 . 1 1 A 22 22 TRP H H 22 8.743 8.728 0.015 2
1 180 . 1 1 A 22 22 TRP HA H 22 4.690 4.890 -0.200 2
1 189 . 1 1 A 22 22 TRP C C 22 176.863 176.292 0.571 2
1 190 . 1 1 A 22 22 TRP CA C 22 57.062 57.461 -0.399 2
1 191 . 1 1 A 22 22 TRP CB C 22 29.323 29.515 -0.192 2
1 197 . 1 1 A 22 22 TRP N N 22 124.919 123.608 1.311 2
1 199 . 1 1 A 23 23 LYS H H 23 9.302 8.829 0.473 2
1 200 . 1 1 A 23 23 LYS HA H 23 4.798 4.860 -0.062 2
1 208 . 1 1 A 23 23 LYS C C 23 176.050 176.108 -0.058 2
1 209 . 1 1 A 23 23 LYS CA C 23 54.106 54.459 -0.353 2
1 210 . 1 1 A 23 23 LYS CB C 23 35.583 35.161 0.422 2
1 214 . 1 1 A 23 23 LYS N N 23 124.474 125.098 -0.624 2
1 215 . 1 1 A 24 24 SER H H 24 8.740 8.696 0.044 2
1 216 . 1 1 A 24 24 SER HA H 24 5.035 4.755 0.280 2
1 219 . 1 1 A 24 24 SER C C 24 175.905 173.956 1.949 2
1 220 . 1 1 A 24 24 SER CA C 24 58.857 58.587 0.270 2
1 221 . 1 1 A 24 24 SER CB C 24 63.489 63.578 -0.089 2
1 222 . 1 1 A 24 24 SER N N 24 118.568 118.616 -0.048 2
1 223 . 1 1 A 25 25 ARG H H 25 9.302 8.508 0.794 2
1 224 . 1 1 A 25 25 ARG HA H 25 4.946 5.022 -0.076 2
1 231 . 1 1 A 25 25 ARG C C 25 173.724 174.362 -0.638 2
1 232 . 1 1 A 25 25 ARG CA C 25 54.440 54.886 -0.446 2
1 233 . 1 1 A 25 25 ARG CB C 25 34.825 34.261 0.564 2
1 236 . 1 1 A 25 25 ARG N N 25 126.895 124.863 2.032 2
1 237 . 1 1 A 26 26 TRP H H 26 8.668 9.040 -0.372 2
1 238 . 1 1 A 26 26 TRP HA H 26 4.780 5.070 -0.290 2
1 247 . 1 1 A 26 26 TRP C C 26 175.796 175.118 0.678 2
1 248 . 1 1 A 26 26 TRP CA C 26 57.555 56.461 1.094 2
1 249 . 1 1 A 26 26 TRP CB C 26 29.833 30.646 -0.813 2
1 255 . 1 1 A 26 26 TRP N N 26 123.493 127.298 -3.805 2
1 257 . 1 1 A 27 27 CYS H H 27 8.884 8.741 0.143 2
1 258 . 1 1 A 27 27 CYS HA H 27 5.668 5.221 0.447 2
1 261 . 1 1 A 27 27 CYS C C 27 174.560 174.050 0.510 2
1 262 . 1 1 A 27 27 CYS CA C 27 58.184 57.699 0.485 2
1 263 . 1 1 A 27 27 CYS CB C 27 31.516 29.365 2.151 2
1 264 . 1 1 A 27 27 CYS N N 27 124.947 126.998 -2.051 2
1 265 . 1 1 A 28 28 SER H H 28 8.566 8.826 -0.260 2
1 266 . 1 1 A 28 28 SER HA H 28 5.240 5.354 -0.114 2
1 269 . 1 1 A 28 28 SER C C 28 173.106 173.122 -0.016 2
1 270 . 1 1 A 28 28 SER CA C 28 57.027 57.218 -0.191 2
1 271 . 1 1 A 28 28 SER CB C 28 66.738 65.626 1.112 2
1 272 . 1 1 A 28 28 SER N N 28 114.751 119.556 -4.805 2
1 273 . 1 1 A 29 29 VAL H H 29 8.843 9.015 -0.172 2
1 274 . 1 1 A 29 29 VAL HA H 29 5.302 5.123 0.179 2
1 282 . 1 1 A 29 29 VAL C C 29 175.905 175.377 0.528 2
1 283 . 1 1 A 29 29 VAL CA C 29 61.233 61.553 -0.320 2
1 284 . 1 1 A 29 29 VAL CB C 29 32.832 33.122 -0.290 2
1 287 . 1 1 A 29 29 VAL N N 29 125.688 127.763 -2.075 2
1 288 . 1 1 A 30 30 ARG H H 30 8.964 9.090 -0.126 2
1 289 . 1 1 A 30 30 ARG HA H 30 4.620 4.565 0.055 2
1 295 . 1 1 A 30 30 ARG C C 30 176.160 175.218 0.942 2
1 296 . 1 1 A 30 30 ARG CA C 30 55.901 56.403 -0.502 2
1 297 . 1 1 A 30 30 ARG CB C 30 33.198 32.999 0.199 2
1 300 . 1 1 A 30 30 ARG N N 30 125.513 126.311 -0.798 2
1 301 . 1 1 A 31 31 ASP H H 31 9.773 9.242 0.531 2
1 302 . 1 1 A 31 31 ASP HA H 31 4.451 4.466 -0.015 2
1 305 . 1 1 A 31 31 ASP C C 31 177.008 175.547 1.462 2
1 306 . 1 1 A 31 31 ASP CA C 31 55.936 54.811 1.125 2
1 307 . 1 1 A 31 31 ASP CB C 31 39.659 39.900 -0.241 2
1 308 . 1 1 A 31 31 ASP N N 31 127.085 124.253 2.832 2
1 309 . 1 1 A 32 32 ASN H H 32 9.639 8.452 1.187 2
1 310 . 1 1 A 32 32 ASN HA H 32 4.535 4.427 0.108 2
1 315 . 1 1 A 32 32 ASN C C 32 172.766 173.798 -1.032 2
1 316 . 1 1 A 32 32 ASN CA C 32 55.549 54.448 1.101 2
1 317 . 1 1 A 32 32 ASN CB C 32 38.238 37.171 1.067 2
1 318 . 1 1 A 32 32 ASN N N 32 112.101 112.257 -0.156 2
1 320 . 1 1 A 33 33 HIS H H 33 8.292 7.806 0.486 2
1 321 . 1 1 A 33 33 HIS HA H 33 5.368 5.467 -0.099 2
1 326 . 1 1 A 33 33 HIS C C 33 172.718 173.476 -0.758 2
1 327 . 1 1 A 33 33 HIS CA C 33 55.303 54.690 0.613 2
1 328 . 1 1 A 33 33 HIS CB C 33 32.851 34.115 -1.265 2
1 331 . 1 1 A 33 33 HIS N N 33 116.294 116.332 -0.038 2
1 332 . 1 1 A 34 34 LEU H H 34 8.987 8.998 -0.011 2
1 333 . 1 1 A 34 34 LEU HA H 34 4.784 4.982 -0.198 2
1 342 . 1 1 A 34 34 LEU C C 34 173.240 175.092 -1.852 2
1 343 . 1 1 A 34 34 LEU CA C 34 53.719 53.518 0.201 2
1 344 . 1 1 A 34 34 LEU CB C 34 45.147 43.819 1.328 2
1 348 . 1 1 A 34 34 LEU N N 34 122.961 125.218 -2.257 2
1 349 . 1 1 A 35 35 HIS H H 35 9.169 9.585 -0.416 2
1 350 . 1 1 A 35 35 HIS HA H 35 4.713 5.016 -0.303 2
1 355 . 1 1 A 35 35 HIS C C 35 174.778 174.822 -0.044 2
1 356 . 1 1 A 35 35 HIS CA C 35 55.284 56.038 -0.754 2
1 357 . 1 1 A 35 35 HIS CB C 35 34.455 31.759 2.696 2
1 360 . 1 1 A 35 35 HIS N N 35 125.201 126.151 -0.950 2
1 361 . 1 1 A 36 36 PHE H H 36 9.522 8.885 0.637 2
1 362 . 1 1 A 36 36 PHE HA H 36 5.014 5.315 -0.301 2
1 370 . 1 1 A 36 36 PHE C C 36 174.911 174.081 0.830 2
1 371 . 1 1 A 36 36 PHE CA C 36 56.217 56.316 -0.099 2
1 372 . 1 1 A 36 36 PHE CB C 36 43.666 42.314 1.352 2
1 378 . 1 1 A 36 36 PHE N N 36 118.294 118.730 -0.435 2
1 379 . 1 1 A 37 37 TYR H H 37 9.783 9.131 0.652 2
1 380 . 1 1 A 37 37 TYR HA H 37 5.453 5.106 0.347 2
1 387 . 1 1 A 37 37 TYR C C 37 176.475 175.531 0.944 2
1 388 . 1 1 A 37 37 TYR CA C 37 57.185 56.694 0.491 2
1 389 . 1 1 A 37 37 TYR CB C 37 41.569 43.423 -1.854 2
1 394 . 1 1 A 37 37 TYR N N 37 121.241 120.970 0.271 2
1 395 . 1 1 A 38 38 GLN H H 38 9.233 8.817 0.416 2
1 396 . 1 1 A 38 38 GLN HA H 38 4.480 4.738 -0.258 2
1 403 . 1 1 A 38 38 GLN C C 38 175.408 175.672 -0.264 2
1 404 . 1 1 A 38 38 GLN CA C 38 57.977 56.722 1.255 2
1 405 . 1 1 A 38 38 GLN CB C 38 29.825 30.299 -0.475 2
1 407 . 1 1 A 38 38 GLN N N 38 119.348 120.556 -1.208 2
1 409 . 1 1 A 39 39 ASP H H 39 8.674 8.031 0.643 2
1 410 . 1 1 A 39 39 ASP HA H 39 4.849 4.757 0.092 2
1 413 . 1 1 A 39 39 ASP CA C 39 52.402 53.750 -1.348 2
1 414 . 1 1 A 39 39 ASP CB C 39 43.525 41.913 1.612 2
1 415 . 1 1 A 40 40 ARG H H 40 7.823 8.584 -0.761 2
1 416 . 1 1 A 40 40 ARG HA H 40 2.342 3.672 -1.330 2
1 423 . 1 1 A 40 40 ARG CA C 40 57.183 57.099 0.084 2
1 424 . 1 1 A 40 40 ARG CB C 40 29.300 29.944 -0.644 2
1 427 . 1 1 A 40 40 ARG N N 40 119.412 120.031 -0.619 2
1 428 . 1 1 A 41 41 ASN H H 41 7.601 8.122 -0.521 2
1 429 . 1 1 A 41 41 ASN HA H 41 4.408 4.483 -0.075 2
1 434 . 1 1 A 41 41 ASN C C 41 174.584 174.400 0.184 2
1 435 . 1 1 A 41 41 ASN CA C 41 53.396 53.188 0.207 2
1 436 . 1 1 A 41 41 ASN CB C 41 37.847 37.598 0.249 2
1 437 . 1 1 A 41 41 ASN N N 41 114.895 115.978 -1.083 2
1 439 . 1 1 A 42 42 ARG H H 42 7.927 7.748 0.179 2
1 440 . 1 1 A 42 42 ARG HA H 42 3.271 3.624 -0.353 2
1 446 . 1 1 A 42 42 ARG CA C 42 57.164 57.003 0.161 2
1 449 . 1 1 A 42 42 ARG N N 42 115.263 114.831 0.432 2
1 450 . 1 1 A 43 43 SER H H 43 9.112 7.949 1.163 2
1 451 . 1 1 A 43 43 SER HA H 43 4.444 4.426 0.018 2
1 454 . 1 1 A 43 43 SER CA C 43 59.742 60.714 -0.972 2
1 455 . 1 1 A 43 43 SER CB C 43 64.693 64.104 0.589 2
1 456 . 1 1 A 43 43 SER N N 43 115.094 113.581 1.513 2
1 457 . 1 1 A 44 44 LYS H H 44 8.543 7.928 0.615 2
1 458 . 1 1 A 44 44 LYS HA H 44 4.784 4.563 0.221 2
1 464 . 1 1 A 44 44 LYS C C 44 175.723 175.365 0.358 2
1 465 . 1 1 A 44 44 LYS CA C 44 55.091 55.201 -0.110 2
1 466 . 1 1 A 44 44 LYS CB C 44 34.642 33.058 1.584 2
1 470 . 1 1 A 45 45 VAL H H 45 8.965 8.493 0.472 2
1 471 . 1 1 A 45 45 VAL HA H 45 4.043 4.070 -0.027 2
1 479 . 1 1 A 45 45 VAL C C 45 176.656 176.494 0.163 2
1 480 . 1 1 A 45 45 VAL CA C 45 63.883 63.021 0.862 2
1 481 . 1 1 A 45 45 VAL CB C 45 32.621 31.674 0.947 2
1 484 . 1 1 A 45 45 VAL N N 45 127.663 124.901 2.762 2
1 485 . 1 1 A 46 46 ALA H H 46 9.214 8.577 0.637 2
1 486 . 1 1 A 46 46 ALA HA H 46 4.523 4.169 0.354 2
1 490 . 1 1 A 46 46 ALA C C 46 176.560 177.317 -0.757 2
1 491 . 1 1 A 46 46 ALA CA C 46 52.610 54.638 -2.027 2
1 492 . 1 1 A 46 46 ALA CB C 46 20.929 19.512 1.417 2
1 493 . 1 1 A 46 46 ALA N N 46 129.165 129.720 -0.555 2
1 494 . 1 1 A 47 47 GLN H H 47 7.504 7.528 -0.024 2
1 495 . 1 1 A 47 47 GLN HA H 47 4.494 4.544 -0.050 2
1 502 . 1 1 A 47 47 GLN C C 47 173.057 174.205 -1.148 2
1 503 . 1 1 A 47 47 GLN CA C 47 54.458 54.661 -0.203 2
1 504 . 1 1 A 47 47 GLN CB C 47 30.918 30.756 0.162 2
1 506 . 1 1 A 47 47 GLN N N 47 112.591 111.540 1.051 2
1 508 . 1 1 A 48 48 GLN H H 48 8.541 8.331 0.210 2
1 509 . 1 1 A 48 48 GLN HA H 48 4.420 4.332 0.088 2
1 516 . 1 1 A 48 48 GLN C C 48 172.864 174.318 -1.454 2
1 517 . 1 1 A 48 48 GLN CA C 48 54.774 54.413 0.361 2
1 518 . 1 1 A 48 48 GLN CB C 48 28.017 28.460 -0.443 2
1 520 . 1 1 A 48 48 GLN N N 48 120.933 120.641 0.292 2
1 522 . 1 1 A 49 49 PRO HA H 49 4.963 4.649 0.314 2
1 529 . 1 1 A 49 49 PRO C C 49 177.105 175.403 1.702 2
1 530 . 1 1 A 49 49 PRO CA C 49 63.010 62.312 0.698 2
1 531 . 1 1 A 49 49 PRO CB C 49 32.625 32.278 0.347 2
1 534 . 1 1 A 50 50 LEU H H 50 8.937 8.732 0.205 2
1 535 . 1 1 A 50 50 LEU HA H 50 4.742 5.059 -0.317 2
1 545 . 1 1 A 50 50 LEU C C 50 176.147 175.598 0.549 2
1 546 . 1 1 A 50 50 LEU CA C 50 53.120 53.250 -0.130 2
1 547 . 1 1 A 50 50 LEU CB C 50 45.352 45.216 0.136 2
1 551 . 1 1 A 50 50 LEU N N 50 121.454 121.978 -0.524 2
1 552 . 1 1 A 51 51 SER H H 51 8.771 8.719 0.052 2
1 553 . 1 1 A 51 51 SER HA H 51 3.434 4.117 -0.683 2
1 556 . 1 1 A 51 51 SER C C 51 175.081 174.448 0.633 2
1 557 . 1 1 A 51 51 SER CA C 51 57.936 57.010 0.926 2
1 558 . 1 1 A 51 51 SER CB C 51 62.378 62.606 -0.228 2
1 559 . 1 1 A 51 51 SER N N 51 120.178 117.953 2.225 2
1 560 . 1 1 A 52 52 LEU H H 52 8.045 7.835 0.210 2
1 561 . 1 1 A 52 52 LEU HA H 52 4.443 3.930 0.513 2
1 571 . 1 1 A 52 52 LEU C C 52 177.916 177.768 0.148 2
1 572 . 1 1 A 52 52 LEU CA C 52 55.105 57.836 -2.731 2
1 573 . 1 1 A 52 52 LEU CB C 52 42.762 41.453 1.309 2
1 577 . 1 1 A 52 52 LEU N N 52 125.348 127.447 -2.099 2
1 578 . 1 1 A 53 53 VAL H H 53 7.418 7.363 0.055 2
1 579 . 1 1 A 53 53 VAL HA H 53 3.841 3.852 -0.011 2
1 587 . 1 1 A 53 53 VAL C C 53 178.123 177.057 1.066 2
1 588 . 1 1 A 53 53 VAL CA C 53 64.893 64.673 0.220 2
1 589 . 1 1 A 53 53 VAL CB C 53 30.973 31.134 -0.161 2
1 592 . 1 1 A 53 53 VAL N N 53 119.590 118.392 1.198 2
1 593 . 1 1 A 54 54 GLY H H 54 9.187 8.751 0.436 2
1 594 . 1 1 A 54 54 GLY HA2 H 54 4.292 3.973 0.319 2
1 595 . 1 1 A 54 54 GLY HA3 H 54 3.934 4.050 -0.116 2
1 596 . 1 1 A 54 54 GLY C C 54 175.275 174.745 0.530 2
1 597 . 1 1 A 54 54 GLY CA C 54 45.906 45.009 0.897 2
1 598 . 1 1 A 54 54 GLY N N 54 115.764 115.071 0.693 2
1 599 . 1 1 A 55 55 CYS H H 55 7.871 8.145 -0.274 2
1 600 . 1 1 A 55 55 CYS HA H 55 5.052 4.613 0.439 2
1 603 . 1 1 A 55 55 CYS C C 55 174.112 173.448 0.664 2
1 604 . 1 1 A 55 55 CYS CA C 55 60.352 59.285 1.067 2
1 605 . 1 1 A 55 55 CYS CB C 55 28.779 29.533 -0.754 2
1 606 . 1 1 A 55 55 CYS N N 55 117.748 120.077 -2.329 2
1 607 . 1 1 A 56 56 GLU H H 56 9.140 8.800 0.341 2
1 608 . 1 1 A 56 56 GLU HA H 56 4.672 4.857 -0.185 2
1 612 . 1 1 A 56 56 GLU C C 56 175.105 174.558 0.547 2
1 613 . 1 1 A 56 56 GLU CA C 56 55.179 55.314 -0.135 2
1 614 . 1 1 A 56 56 GLU CB C 56 33.097 33.496 -0.399 2
1 616 . 1 1 A 56 56 GLU N N 56 120.179 122.386 -2.207 2
1 617 . 1 1 A 57 57 VAL H H 57 8.385 8.891 -0.506 2
1 618 . 1 1 A 57 57 VAL HA H 57 5.238 4.691 0.546 2
1 626 . 1 1 A 57 57 VAL C C 57 175.238 175.840 -0.602 2
1 627 . 1 1 A 57 57 VAL CA C 57 61.064 62.255 -1.191 2
1 628 . 1 1 A 57 57 VAL CB C 57 33.429 31.891 1.538 2
1 631 . 1 1 A 57 57 VAL N N 57 122.535 127.609 -5.074 2
1 632 . 1 1 A 58 58 VAL H H 58 8.884 9.143 -0.259 2
1 633 . 1 1 A 58 58 VAL HA H 58 5.053 4.908 0.145 2
1 641 . 1 1 A 58 58 VAL C C 58 174.027 173.503 0.524 2
1 642 . 1 1 A 58 58 VAL CA C 58 57.977 57.942 0.035 2
1 643 . 1 1 A 58 58 VAL CB C 58 35.583 34.430 1.153 2
1 646 . 1 1 A 58 58 VAL N N 58 122.081 121.987 0.094 2
1 647 . 1 1 A 59 59 PRO HA H 59 4.573 4.906 -0.333 2
1 654 . 1 1 A 59 59 PRO C C 59 175.457 175.182 0.275 2
1 655 . 1 1 A 59 59 PRO CA C 59 63.643 62.371 1.272 2
1 656 . 1 1 A 59 59 PRO CB C 59 32.915 29.988 2.927 2
1 659 . 1 1 A 60 60 ASP H H 60 8.989 8.423 0.566 2
1 660 . 1 1 A 60 60 ASP HA H 60 5.179 5.307 -0.128 2
1 663 . 1 1 A 60 60 ASP C C 60 172.742 174.195 -1.453 2
1 664 . 1 1 A 60 60 ASP CA C 60 52.698 50.940 1.758 2
1 665 . 1 1 A 60 60 ASP CB C 60 43.314 41.348 1.966 2
1 666 . 1 1 A 60 60 ASP N N 60 122.718 123.835 -1.117 2
1 667 . 1 1 A 61 61 PRO HA H 61 4.681 4.911 -0.230 2
1 674 . 1 1 A 61 61 PRO C C 61 177.420 175.537 1.883 2
1 675 . 1 1 A 61 61 PRO CA C 61 63.594 62.469 1.125 2
1 676 . 1 1 A 61 61 PRO CB C 61 32.950 32.798 0.152 2
1 679 . 1 1 A 62 62 SER H H 62 7.803 8.290 -0.487 2
1 680 . 1 1 A 62 62 SER HA H 62 4.797 4.997 -0.200 2
1 683 . 1 1 A 62 62 SER C C 62 174.851 174.602 0.249 2
1 684 . 1 1 A 62 62 SER CA C 62 56.896 55.855 1.041 2
1 685 . 1 1 A 62 62 SER CB C 62 63.959 65.317 -1.358 2
1 686 . 1 1 A 62 62 SER N N 62 115.582 115.251 0.331 2
1 687 . 1 1 A 63 63 PRO HA H 63 4.089 4.489 -0.400 2
1 694 . 1 1 A 63 63 PRO C C 63 177.105 176.256 0.849 2
1 695 . 1 1 A 63 63 PRO CA C 63 66.024 64.112 1.912 2
1 696 . 1 1 A 63 63 PRO CB C 63 31.763 31.499 0.264 2
1 699 . 1 1 A 64 64 ASP H H 64 8.361 8.269 0.092 2
1 700 . 1 1 A 64 64 ASP HA H 64 4.290 4.744 -0.454 2
1 703 . 1 1 A 64 64 ASP C C 64 174.802 175.367 -0.564 2
1 704 . 1 1 A 64 64 ASP CA C 64 54.458 54.212 0.246 2
1 705 . 1 1 A 64 64 ASP CB C 64 40.481 43.076 -2.595 2
1 706 . 1 1 A 64 64 ASP N N 64 111.867 117.288 -5.421 2
1 707 . 1 1 A 65 65 HIS H H 65 7.781 7.458 0.323 2
1 708 . 1 1 A 65 65 HIS HA H 65 4.558 4.642 -0.084 2
1 713 . 1 1 A 65 65 HIS C C 65 174.972 174.599 0.373 2
1 714 . 1 1 A 65 65 HIS CA C 65 54.370 54.383 -0.013 2
1 715 . 1 1 A 65 65 HIS CB C 65 28.450 31.665 -3.214 2
1 718 . 1 1 A 65 65 HIS N N 65 120.793 116.285 4.508 2
1 719 . 1 1 A 66 66 LEU H H 66 8.206 8.099 0.107 2
1 720 . 1 1 A 66 66 LEU HA H 66 3.893 4.235 -0.342 2
1 730 . 1 1 A 66 66 LEU C C 66 178.826 176.384 2.442 2
1 731 . 1 1 A 66 66 LEU CA C 66 57.857 54.516 3.341 2
1 732 . 1 1 A 66 66 LEU CB C 66 42.245 41.350 0.895 2
1 736 . 1 1 A 66 66 LEU N N 66 124.390 125.073 -0.683 2
1 737 . 1 1 A 67 67 TYR H H 67 8.612 7.625 0.988 2
1 738 . 1 1 A 67 67 TYR HA H 67 5.417 4.899 0.518 2
1 745 . 1 1 A 67 67 TYR C C 67 176.403 174.850 1.553 2
1 746 . 1 1 A 67 67 TYR CA C 67 55.320 57.334 -2.014 2
1 747 . 1 1 A 67 67 TYR CB C 67 35.524 38.075 -2.551 2
1 752 . 1 1 A 67 67 TYR N N 67 118.042 119.208 -1.166 2
1 753 . 1 1 A 68 68 SER H H 68 6.652 7.775 -1.123 2
1 754 . 1 1 A 68 68 SER HA H 68 5.742 5.231 0.511 2
1 757 . 1 1 A 68 68 SER C C 68 174.827 173.612 1.215 2
1 758 . 1 1 A 68 68 SER CA C 68 56.147 56.396 -0.249 2
1 759 . 1 1 A 68 68 SER CB C 68 65.504 65.389 0.115 2
1 760 . 1 1 A 68 68 SER N N 68 111.076 114.148 -3.072 2
1 761 . 1 1 A 69 69 PHE H H 69 9.089 8.375 0.714 2
1 762 . 1 1 A 69 69 PHE HA H 69 5.212 5.745 -0.533 2
1 770 . 1 1 A 69 69 PHE C C 69 171.676 172.937 -1.261 2
1 771 . 1 1 A 69 69 PHE CA C 69 55.918 55.266 0.652 2
1 772 . 1 1 A 69 69 PHE CB C 69 41.034 42.398 -1.364 2
1 778 . 1 1 A 69 69 PHE N N 69 121.539 119.326 2.213 2
1 779 . 1 1 A 70 70 ARG H H 70 9.299 9.004 0.295 2
1 780 . 1 1 A 70 70 ARG HA H 70 5.333 5.145 0.188 2
1 787 . 1 1 A 70 70 ARG C C 70 174.197 174.329 -0.132 2
1 788 . 1 1 A 70 70 ARG CA C 70 54.198 54.285 -0.087 2
1 789 . 1 1 A 70 70 ARG CB C 70 35.236 34.181 1.054 2
1 792 . 1 1 A 70 70 ARG N N 70 117.458 118.383 -0.925 2
1 794 . 1 1 A 71 71 ILE H H 71 8.505 8.604 -0.099 2
1 795 . 1 1 A 71 71 ILE HA H 71 4.974 5.335 -0.361 2
1 805 . 1 1 A 71 71 ILE C C 71 174.996 175.115 -0.119 2
1 806 . 1 1 A 71 71 ILE CA C 71 60.622 59.840 0.782 2
1 807 . 1 1 A 71 71 ILE CB C 71 39.636 40.732 -1.096 2
1 811 . 1 1 A 71 71 ILE N N 71 119.757 122.924 -3.167 2
1 812 . 1 1 A 72 72 LEU H H 72 9.488 9.125 0.363 2
1 813 . 1 1 A 72 72 LEU HA H 72 5.473 5.411 0.062 2
1 823 . 1 1 A 72 72 LEU C C 72 176.172 175.802 0.370 2
1 824 . 1 1 A 72 72 LEU CA C 72 53.507 54.002 -0.495 2
1 825 . 1 1 A 72 72 LEU CB C 72 46.393 46.036 0.357 2
1 829 . 1 1 A 72 72 LEU N N 72 128.277 126.033 2.244 2
1 830 . 1 1 A 73 73 HIS H H 73 9.087 8.925 0.162 2
1 831 . 1 1 A 73 73 HIS HA H 73 4.888 4.747 0.141 2
1 836 . 1 1 A 73 73 HIS C C 73 175.118 175.137 -0.019 2
1 837 . 1 1 A 73 73 HIS CA C 73 56.675 56.947 -0.272 2
1 838 . 1 1 A 73 73 HIS CB C 73 32.933 31.656 1.277 2
1 841 . 1 1 A 73 73 HIS N N 73 119.084 122.999 -3.915 2
1 842 . 1 1 A 74 74 LYS H H 74 9.551 8.705 0.846 2
1 843 . 1 1 A 74 74 LYS HA H 74 3.763 4.102 -0.339 2
1 852 . 1 1 A 74 74 LYS C C 74 176.851 176.631 0.220 2
1 853 . 1 1 A 74 74 LYS CA C 74 56.969 56.214 0.755 2
1 854 . 1 1 A 74 74 LYS CB C 74 29.766 31.406 -1.640 2
1 858 . 1 1 A 74 74 LYS N N 74 128.764 121.664 7.100 2
1 859 . 1 1 A 75 75 GLY H H 75 8.877 8.236 0.641 2
1 860 . 1 1 A 75 75 GLY HA2 H 75 3.523 3.913 -0.390 2
1 861 . 1 1 A 75 75 GLY HA3 H 75 4.213 3.918 0.295 2
1 862 . 1 1 A 75 75 GLY C C 75 173.566 174.014 -0.448 2
1 863 . 1 1 A 75 75 GLY CA C 75 45.346 45.223 0.123 2
1 864 . 1 1 A 75 75 GLY N N 75 104.552 106.907 -2.355 2
1 865 . 1 1 A 76 76 GLU H H 76 7.922 7.892 0.030 2
1 866 . 1 1 A 76 76 GLU HA H 76 4.491 4.670 -0.179 2
1 871 . 1 1 A 76 76 GLU C C 76 175.651 175.079 0.572 2
1 872 . 1 1 A 76 76 GLU CA C 76 54.721 55.195 -0.474 2
1 873 . 1 1 A 76 76 GLU CB C 76 31.187 31.485 -0.298 2
1 875 . 1 1 A 76 76 GLU N N 76 121.492 120.107 1.385 2
1 876 . 1 1 A 77 77 GLU H H 77 8.925 8.672 0.253 2
1 877 . 1 1 A 77 77 GLU HA H 77 4.309 4.765 -0.456 2
1 881 . 1 1 A 77 77 GLU C C 77 175.857 175.535 0.322 2
1 882 . 1 1 A 77 77 GLU CA C 77 57.412 55.733 1.679 2
1 883 . 1 1 A 77 77 GLU CB C 77 31.146 31.062 0.084 2
1 885 . 1 1 A 77 77 GLU N N 77 125.541 122.027 3.514 2
1 886 . 1 1 A 78 78 LEU H H 78 9.475 8.890 0.585 2
1 887 . 1 1 A 78 78 LEU HA H 78 4.513 4.407 0.106 2
1 897 . 1 1 A 78 78 LEU C C 78 177.541 176.814 0.727 2
1 898 . 1 1 A 78 78 LEU CA C 78 55.443 56.091 -0.648 2
1 899 . 1 1 A 78 78 LEU CB C 78 43.776 42.724 1.052 2
1 903 . 1 1 A 78 78 LEU N N 78 128.715 128.520 0.195 2
1 904 . 1 1 A 79 79 ALA H H 79 7.550 7.597 -0.047 2
1 905 . 1 1 A 79 79 ALA HA H 79 4.503 4.650 -0.147 2
1 909 . 1 1 A 79 79 ALA C C 79 174.342 175.147 -0.805 2
1 910 . 1 1 A 79 79 ALA CA C 79 51.906 51.464 0.442 2
1 911 . 1 1 A 79 79 ALA CB C 79 22.017 22.815 -0.798 2
1 912 . 1 1 A 79 79 ALA N N 79 116.317 116.709 -0.392 2
1 913 . 1 1 A 80 80 LYS H H 80 8.743 8.715 0.028 2
1 914 . 1 1 A 80 80 LYS HA H 80 4.725 4.909 -0.184 2
1 923 . 1 1 A 80 80 LYS C C 80 172.973 174.688 -1.715 2
1 924 . 1 1 A 80 80 LYS CA C 80 56.604 55.199 1.405 2
1 925 . 1 1 A 80 80 LYS CB C 80 34.331 35.865 -1.534 2
1 929 . 1 1 A 80 80 LYS N N 80 123.623 120.275 3.348 2
1 930 . 1 1 A 81 81 LEU H H 81 8.504 8.797 -0.294 2
1 931 . 1 1 A 81 81 LEU HA H 81 5.531 5.478 0.053 2
1 941 . 1 1 A 81 81 LEU C C 81 176.366 175.295 1.071 2
1 942 . 1 1 A 81 81 LEU CA C 81 53.665 53.029 0.636 2
1 943 . 1 1 A 81 81 LEU CB C 81 45.969 45.123 0.846 2
1 947 . 1 1 A 81 81 LEU N N 81 124.594 127.887 -3.293 2
1 948 . 1 1 A 82 82 GLU H H 82 9.018 8.332 0.686 2
1 949 . 1 1 A 82 82 GLU HA H 82 4.826 4.512 0.314 2
1 954 . 1 1 A 82 82 GLU C C 82 174.439 175.418 -0.979 2
1 955 . 1 1 A 82 82 GLU CA C 82 56.376 54.642 1.734 2
1 956 . 1 1 A 82 82 GLU CB C 82 32.852 32.752 0.100 2
1 958 . 1 1 A 82 82 GLU N N 82 118.819 121.295 -2.476 2
1 959 . 1 1 A 83 83 ALA H H 83 8.027 8.833 -0.806 2
1 960 . 1 1 A 83 83 ALA HA H 83 4.980 4.602 0.378 2
1 964 . 1 1 A 83 83 ALA C C 83 176.439 178.998 -2.559 2
1 965 . 1 1 A 83 83 ALA CA C 83 50.059 50.899 -0.840 2
1 966 . 1 1 A 83 83 ALA CB C 83 21.702 20.709 0.993 2
1 967 . 1 1 A 83 83 ALA N N 83 127.765 128.336 -0.571 2
1 968 . 1 1 A 84 84 LYS H H 84 9.017 8.570 0.447 2
1 969 . 1 1 A 84 84 LYS HA H 84 4.432 4.489 -0.057 2
1 977 . 1 1 A 84 84 LYS C C 84 175.930 176.283 -0.353 2
1 978 . 1 1 A 84 84 LYS CA C 84 56.956 56.925 0.031 2
1 979 . 1 1 A 84 84 LYS CB C 84 32.974 33.809 -0.835 2
1 983 . 1 1 A 84 84 LYS N N 84 115.456 116.627 -1.171 2
1 984 . 1 1 A 85 85 SER H H 85 7.324 7.658 -0.334 2
1 985 . 1 1 A 85 85 SER HA H 85 4.074 4.016 0.058 2
1 988 . 1 1 A 85 85 SER C C 85 173.421 173.843 -0.422 2
1 989 . 1 1 A 85 85 SER CA C 85 56.038 55.724 0.314 2
1 990 . 1 1 A 85 85 SER CB C 85 66.506 65.660 0.846 2
1 991 . 1 1 A 85 85 SER N N 85 110.261 114.332 -4.071 2
1 992 . 1 1 A 86 86 SER H H 86 8.610 8.152 0.458 2
1 993 . 1 1 A 86 86 SER HA H 86 3.648 4.018 -0.370 2
1 996 . 1 1 A 86 86 SER C C 86 177.784 176.538 1.246 2
1 997 . 1 1 A 86 86 SER CA C 86 61.391 61.495 -0.104 2
1 998 . 1 1 A 86 86 SER CB C 86 62.378 62.740 -0.362 2
1 999 . 1 1 A 86 86 SER N N 86 117.136 119.090 -1.954 2
1 1000 . 1 1 A 87 87 GLU H H 87 8.890 7.654 1.236 2
1 1001 . 1 1 A 87 87 GLU HA H 87 4.031 4.049 -0.018 2
1 1006 . 1 1 A 87 87 GLU C C 87 179.492 178.900 0.592 2
1 1007 . 1 1 A 87 87 GLU CA C 87 59.983 59.261 0.722 2
1 1008 . 1 1 A 87 87 GLU CB C 87 28.969 29.305 -0.336 2
1 1010 . 1 1 A 87 87 GLU N N 87 123.189 121.765 1.424 2
1 1011 . 1 1 A 88 88 GLU H H 88 8.015 8.098 -0.083 2
1 1012 . 1 1 A 88 88 GLU HA H 88 4.243 4.140 0.103 2
1 1017 . 1 1 A 88 88 GLU C C 88 178.472 178.818 -0.346 2
1 1018 . 1 1 A 88 88 GLU CA C 88 59.642 59.355 0.287 2
1 1019 . 1 1 A 88 88 GLU CB C 88 31.016 29.335 1.681 2
1 1021 . 1 1 A 88 88 GLU N N 88 121.015 120.032 0.983 2
1 1022 . 1 1 A 89 89 MET H H 89 8.334 8.428 -0.094 2
1 1023 . 1 1 A 89 89 MET HA H 89 3.843 4.302 -0.459 2
1 1030 . 1 1 A 89 89 MET C C 89 177.396 178.664 -1.268 2
1 1031 . 1 1 A 89 89 MET CA C 89 60.458 58.040 2.418 2
1 1032 . 1 1 A 89 89 MET CB C 89 32.481 32.536 -0.055 2
1 1035 . 1 1 A 89 89 MET N N 89 119.764 118.991 0.773 2
1 1036 . 1 1 A 90 90 GLY H H 90 8.452 8.240 0.212 2
1 1037 . 1 1 A 90 90 GLY HA2 H 90 4.008 3.696 0.312 2
1 1038 . 1 1 A 90 90 GLY HA3 H 90 3.723 3.718 0.005 2
1 1039 . 1 1 A 90 90 GLY C C 90 176.814 175.550 1.264 2
1 1040 . 1 1 A 90 90 GLY CA C 90 47.489 46.881 0.608 2
1 1041 . 1 1 A 90 90 GLY N N 90 105.180 108.560 -3.380 2
1 1042 . 1 1 A 91 91 HIS H H 91 7.919 8.022 -0.103 2
1 1043 . 1 1 A 91 91 HIS HA H 91 4.329 4.186 0.143 2
1 1048 . 1 1 A 91 91 HIS C C 91 178.208 177.097 1.111 2
1 1049 . 1 1 A 91 91 HIS CA C 91 59.367 58.781 0.586 2
1 1050 . 1 1 A 91 91 HIS CB C 91 30.612 29.859 0.753 2
1 1053 . 1 1 A 91 91 HIS N N 91 121.929 121.194 0.735 2
1 1054 . 1 1 A 92 92 TRP H H 92 8.199 7.444 0.755 2
1 1055 . 1 1 A 92 92 TRP HA H 92 3.829 4.204 -0.375 2
1 1064 . 1 1 A 92 92 TRP C C 92 178.257 178.514 -0.257 2
1 1065 . 1 1 A 92 92 TRP CA C 92 62.464 59.624 2.840 2
1 1066 . 1 1 A 92 92 TRP CB C 92 29.190 29.792 -0.602 2
1 1072 . 1 1 A 92 92 TRP N N 92 120.070 117.962 2.108 2
1 1074 . 1 1 A 93 93 LEU H H 93 8.740 8.181 0.559 2
1 1075 . 1 1 A 93 93 LEU HA H 93 3.695 3.702 -0.007 2
1 1085 . 1 1 A 93 93 LEU C C 93 179.105 179.209 -0.104 2
1 1086 . 1 1 A 93 93 LEU CA C 93 59.076 58.219 0.857 2
1 1087 . 1 1 A 93 93 LEU CB C 93 40.993 41.711 -0.718 2
1 1091 . 1 1 A 93 93 LEU N N 93 119.445 120.142 -0.697 2
1 1092 . 1 1 A 94 94 GLY H H 94 7.616 8.069 -0.453 2
1 1093 . 1 1 A 94 94 GLY HA2 H 94 3.852 3.604 0.248 2
1 1094 . 1 1 A 94 94 GLY HA3 H 94 3.759 3.627 0.132 2
1 1095 . 1 1 A 94 94 GLY C C 94 176.693 175.464 1.230 2
1 1096 . 1 1 A 94 94 GLY CA C 94 47.120 47.204 -0.084 2
1 1097 . 1 1 A 94 94 GLY N N 94 102.951 105.433 -2.482 2
1 1098 . 1 1 A 95 95 LEU H H 95 7.853 7.795 0.058 2
1 1099 . 1 1 A 95 95 LEU HA H 95 4.024 3.866 0.158 2
1 1109 . 1 1 A 95 95 LEU C C 95 179.589 178.445 1.144 2
1 1110 . 1 1 A 95 95 LEU CA C 95 57.678 57.401 0.277 2
1 1111 . 1 1 A 95 95 LEU CB C 95 42.533 41.256 1.277 2
1 1115 . 1 1 A 95 95 LEU N N 95 123.479 122.801 0.678 2
1 1116 . 1 1 A 96 96 LEU H H 96 8.649 8.432 0.217 2
1 1117 . 1 1 A 96 96 LEU HA H 96 3.971 4.080 -0.110 2
1 1127 . 1 1 A 96 96 LEU C C 96 179.068 179.178 -0.110 2
1 1128 . 1 1 A 96 96 LEU CA C 96 57.906 57.851 0.055 2
1 1129 . 1 1 A 96 96 LEU CB C 96 42.104 41.593 0.511 2
1 1133 . 1 1 A 96 96 LEU N N 96 118.046 118.440 -0.394 2
1 1134 . 1 1 A 97 97 LEU H H 97 8.198 8.226 -0.028 2
1 1135 . 1 1 A 97 97 LEU HA H 97 4.234 4.019 0.215 2
1 1145 . 1 1 A 97 97 LEU C C 97 180.177 178.940 1.237 2
1 1146 . 1 1 A 97 97 LEU CA C 97 57.361 58.057 -0.696 2
1 1147 . 1 1 A 97 97 LEU CB C 97 41.611 41.512 0.099 2
1 1151 . 1 1 A 97 97 LEU N N 97 118.670 119.216 -0.546 2
1 1152 . 1 1 A 98 98 SER H H 98 7.818 8.147 -0.329 2
1 1153 . 1 1 A 98 98 SER HA H 98 4.328 4.042 0.286 2
1 1156 . 1 1 A 98 98 SER C C 98 176.863 177.108 -0.245 2
1 1157 . 1 1 A 98 98 SER CA C 98 61.004 61.604 -0.600 2
1 1158 . 1 1 A 98 98 SER CB C 98 63.322 62.772 0.550 2
1 1159 . 1 1 A 98 98 SER N N 98 115.679 113.334 2.345 2
1 1160 . 1 1 A 99 99 GLU H H 99 8.003 7.707 0.296 2
1 1161 . 1 1 A 99 99 GLU HA H 99 4.193 4.146 0.047 2
1 1166 . 1 1 A 99 99 GLU C C 99 177.226 177.506 -0.280 2
1 1167 . 1 1 A 99 99 GLU CA C 99 57.449 59.103 -1.654 2
1 1168 . 1 1 A 99 99 GLU CB C 99 30.260 29.616 0.644 2
1 1170 . 1 1 A 99 99 GLU N N 99 120.518 121.535 -1.018 2
1 1171 . 1 1 A 100 100 SER H H 100 7.892 8.230 -0.338 2
1 1172 . 1 1 A 100 100 SER HA H 100 4.582 4.449 0.133 2
1 1175 . 1 1 A 100 100 SER C C 100 175.881 174.666 1.215 2
1 1176 . 1 1 A 100 100 SER CA C 100 59.561 58.555 1.006 2
1 1177 . 1 1 A 100 100 SER CB C 100 64.188 62.936 1.252 2
1 1178 . 1 1 A 100 100 SER N N 100 113.686 112.602 1.084 2
1 1179 . 1 1 A 101 101 GLY H H 101 7.861 8.282 -0.421 2
1 1180 . 1 1 A 101 101 GLY HA2 H 101 4.114 4.036 0.078 2
1 1181 . 1 1 A 101 101 GLY HA3 H 101 4.063 4.041 0.022 2
1 1182 . 1 1 A 101 101 GLY C C 101 174.076 173.593 0.483 2
1 1183 . 1 1 A 101 101 GLY CA C 101 45.501 45.936 -0.435 2
1 1184 . 1 1 A 101 101 GLY N N 101 109.148 111.252 -2.104 2
1 1185 . 1 1 A 102 102 SER H H 102 8.260 8.512 -0.252 2
1 1186 . 1 1 A 102 102 SER HA H 102 4.543 4.657 -0.114 2
1 1189 . 1 1 A 102 102 SER C C 102 174.851 174.336 0.515 2
1 1190 . 1 1 A 102 102 SER CA C 102 58.646 58.598 0.048 2
1 1191 . 1 1 A 102 102 SER CB C 102 64.211 63.981 0.230 2
1 1192 . 1 1 A 102 102 SER N N 102 116.298 118.529 -2.231 2
1 1193 . 1 1 A 103 103 GLY H H 103 8.252 8.296 -0.044 2
1 1194 . 1 1 A 103 103 GLY HA2 H 103 4.173 4.086 0.087 2
1 1195 . 1 1 A 103 103 GLY HA3 H 103 4.074 4.088 -0.014 2
1 1196 . 1 1 A 103 103 GLY C C 103 171.773 173.510 -1.737 2
1 1197 . 1 1 A 103 103 GLY CA C 103 44.777 45.344 -0.567 2
1 1198 . 1 1 A 103 103 GLY N N 103 110.162 111.389 -1.227 2
1 1199 . 1 1 A 104 104 PRO HA H 104 4.515 4.535 -0.020 2
1 1206 . 1 1 A 104 104 PRO CA C 104 63.224 63.356 -0.132 2
1 1207 . 1 1 A 104 104 PRO CB C 104 32.174 31.901 0.273 2
1 1210 . 1 1 A 105 105 SER H H 105 8.559 8.341 0.218 2
1 1211 . 1 1 A 105 105 SER CA C 105 60.998 58.476 2.522 2
1 1212 . 1 1 A 105 105 SER CB C 105 63.768 64.036 -0.268 2
stop_
save_